smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)Nc2c3nonc3ccc2Cl)o1 ZINC001339438456 936372761 /nfs/dbraw/zinc/37/27/61/936372761.db2.gz OQPCDCZPCYOJKV-UHFFFAOYSA-N 0 0 277.667 3.030 20 10 CGCDRN CC(C)[C@@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001346941387 936865683 /nfs/dbraw/zinc/86/56/83/936865683.db2.gz RMYVOTUDMPNFOA-SSDOTTSWSA-N 0 0 267.716 3.107 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CCC[C@@H](F)C1 ZINC001349003841 936941598 /nfs/dbraw/zinc/94/15/98/936941598.db2.gz HIQGJFNTKGKKIF-HTQZYQBOSA-N 0 0 297.717 3.343 20 10 CGCDRN CC(C)CCCCCC(=O)NCc1cccc(O)c1O ZINC001349079167 936942509 /nfs/dbraw/zinc/94/25/09/936942509.db2.gz LKCJXJYJPAZJIY-UHFFFAOYSA-N 0 0 279.380 3.321 20 10 CGCDRN CCCCN(C(=O)/C=C\c1cn(C)cn1)c1ccccc1 ZINC001351729434 937023393 /nfs/dbraw/zinc/02/33/93/937023393.db2.gz UHEDNULZHURFTC-KHPPLWFESA-N 0 0 283.375 3.267 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)OC1CCCCC1)c1ccccc1O ZINC001352252369 937040084 /nfs/dbraw/zinc/04/00/84/937040084.db2.gz KCCCCOOUAGCNHQ-OLZOCXBDSA-N 0 0 291.391 3.307 20 10 CGCDRN O=C(C[C@@H]1C[C@H]1C1CC1)Nc1c2nonc2ccc1Cl ZINC001353411640 937065440 /nfs/dbraw/zinc/06/54/40/937065440.db2.gz TWELWDVYLCWLER-IUCAKERBSA-N 0 0 291.738 3.251 20 10 CGCDRN CC(C)(C)C1=CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001353539195 937068765 /nfs/dbraw/zinc/06/87/65/937068765.db2.gz JTWSFBDPACJHGZ-UHFFFAOYSA-N 0 0 287.407 3.157 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])CC(F)F ZINC001474595352 937207157 /nfs/dbraw/zinc/20/71/57/937207157.db2.gz SMENVPKAXSCGGB-SSDOTTSWSA-N 0 0 265.250 3.051 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001360075527 937216398 /nfs/dbraw/zinc/21/63/98/937216398.db2.gz IKNCTEKJKRXIGA-NVXWUHKLSA-N 0 0 288.435 3.359 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000205964321 928689356 /nfs/dbraw/zinc/68/93/56/928689356.db2.gz GPNBGDWWDSSMDM-UHFFFAOYSA-N 0 0 285.347 3.297 20 10 CGCDRN C=C/C=C/CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001440712162 937333199 /nfs/dbraw/zinc/33/31/99/937333199.db2.gz MEMROMPMXDYCEN-SNAWJCMRSA-N 0 0 284.403 3.378 20 10 CGCDRN Cc1ccc(F)c2[nH]c(C(=O)NCc3ccccc3O)cc21 ZINC001445973699 937360732 /nfs/dbraw/zinc/36/07/32/937360732.db2.gz XFMTXMBDNQRJPJ-UHFFFAOYSA-N 0 0 298.317 3.251 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccccc2Cl)c1 ZINC001453646947 937404156 /nfs/dbraw/zinc/40/41/56/937404156.db2.gz DQCCWNPDXCVEOA-UHFFFAOYSA-N 0 0 289.762 3.213 20 10 CGCDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cs1 ZINC001454259762 937407585 /nfs/dbraw/zinc/40/75/85/937407585.db2.gz YUOIBEHWCPFGBS-HYXAFXHYSA-N 0 0 275.329 3.120 20 10 CGCDRN COc1ccc(/C=C\C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001454808065 937412462 /nfs/dbraw/zinc/41/24/62/937412462.db2.gz SFSPNCSDVGYJKO-KIWPFMIBSA-N 0 0 297.354 3.291 20 10 CGCDRN Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)c(C)[nH]1 ZINC001456313528 937428724 /nfs/dbraw/zinc/42/87/24/937428724.db2.gz YJNPSMNTBZHVDF-UHFFFAOYSA-N 0 0 294.354 3.420 20 10 CGCDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccccc1O ZINC001458548948 937468069 /nfs/dbraw/zinc/46/80/69/937468069.db2.gz UJFMUTKLVDPMJO-MRVPVSSYSA-N 0 0 277.255 3.008 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2CCC1CCC1 ZINC001459874609 937504040 /nfs/dbraw/zinc/50/40/40/937504040.db2.gz HWLJYCWEAFFGMI-UHFFFAOYSA-N 0 0 260.381 3.142 20 10 CGCDRN COCCCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461126116 937565419 /nfs/dbraw/zinc/56/54/19/937565419.db2.gz IQYJDJAGKQEBGD-UHFFFAOYSA-N 0 0 275.751 3.091 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CC=CCC1 ZINC001461216869 937570230 /nfs/dbraw/zinc/57/02/30/937570230.db2.gz DTMSOVZXDWGRDK-NSHDSACASA-N 0 0 255.720 3.383 20 10 CGCDRN COc1cc(-c2nnc(-c3ccc(C)cc3)o2)cc(O)c1O ZINC001252697524 932722083 /nfs/dbraw/zinc/72/20/83/932722083.db2.gz SQBHVXXHAONTJZ-UHFFFAOYSA-N 0 0 298.298 3.132 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1c([O-])cccc1F ZINC001334031659 932763002 /nfs/dbraw/zinc/76/30/02/932763002.db2.gz DXZOLAQRQSKPGS-QEYWKRMJSA-N 0 0 271.282 3.226 20 10 CGCDRN CN(Cc1cc(F)cc(F)c1O)c1cccc(O)c1 ZINC001462425792 937640191 /nfs/dbraw/zinc/64/01/91/937640191.db2.gz ITOTUXRDKPGDKH-UHFFFAOYSA-N 0 0 265.259 3.012 20 10 CGCDRN CC(=O)c1ccc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC001307192694 932927107 /nfs/dbraw/zinc/92/71/07/932927107.db2.gz CPTONJSOBMNVOO-UHFFFAOYSA-N 0 0 298.298 3.023 20 10 CGCDRN Cc1cccc2nc(NCc3cc(O)ccc3O)oc21 ZINC001307202064 932928049 /nfs/dbraw/zinc/92/80/49/932928049.db2.gz RXHAPLJEHSUNNJ-UHFFFAOYSA-N 0 0 270.288 3.160 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H](CC)OC)cc1 ZINC001307567154 932970946 /nfs/dbraw/zinc/97/09/46/932970946.db2.gz PKTXAGJITUAXCS-CQSZACIVSA-N 0 0 251.370 3.337 20 10 CGCDRN COc1ccc(N(C[C@@H]2COC(C)(C)O2)C(C)C)cc1F ZINC001307573139 932971023 /nfs/dbraw/zinc/97/10/23/932971023.db2.gz GXZGHUFOFYJNLC-CYBMUJFWSA-N 0 0 297.370 3.201 20 10 CGCDRN COC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1 ZINC001462653682 937657353 /nfs/dbraw/zinc/65/73/53/937657353.db2.gz KJWGXTWZLPYCIN-OAHLLOKOSA-N 0 0 293.313 3.148 20 10 CGCDRN C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001308426460 933109212 /nfs/dbraw/zinc/10/92/12/933109212.db2.gz HVECGZAGMVMSOH-ABAIWWIYSA-N 0 0 278.352 3.359 20 10 CGCDRN COc1cccc(F)c1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001308535670 933127395 /nfs/dbraw/zinc/12/73/95/933127395.db2.gz RTGXQDYKGAJTFG-UHFFFAOYSA-N 0 0 297.276 3.108 20 10 CGCDRN COc1cc(C)c(CNc2cccc3c2OCO3)c(O)c1 ZINC001308687547 933159246 /nfs/dbraw/zinc/15/92/46/933159246.db2.gz URSXBMWDAFCLNT-UHFFFAOYSA-N 0 0 287.315 3.050 20 10 CGCDRN C[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308716143 933164857 /nfs/dbraw/zinc/16/48/57/933164857.db2.gz QFLHFXTUIOUVNE-UWVGGRQHSA-N 0 0 255.308 3.196 20 10 CGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)cs1 ZINC001311048569 933267451 /nfs/dbraw/zinc/26/74/51/933267451.db2.gz NITGSBMWVJCHHP-UHFFFAOYSA-N 0 0 274.345 3.310 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC001312086031 933336264 /nfs/dbraw/zinc/33/62/64/933336264.db2.gz GVKKUUMMOFNDPB-WDEREUQCSA-N 0 0 282.359 3.155 20 10 CGCDRN Oc1c(F)cccc1CN[C@@H](CF)c1ccc(F)cc1 ZINC001474676097 933665285 /nfs/dbraw/zinc/66/52/85/933665285.db2.gz WJGCDKVTWGEHPE-AWEZNQCLSA-N 0 0 281.277 3.471 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)C1CCCCCC1 ZINC001466757564 937712306 /nfs/dbraw/zinc/71/23/06/937712306.db2.gz UYRRQSQHAXWMOI-LLVKDONJSA-N 0 0 277.364 3.187 20 10 CGCDRN CCc1ccc(C(=O)NCc2ccccc2O)cc1CC ZINC001319932930 933961134 /nfs/dbraw/zinc/96/11/34/933961134.db2.gz SRXLRCFPSPEAFG-UHFFFAOYSA-N 0 0 283.371 3.447 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2ccccc2)c1 ZINC001470255322 937750078 /nfs/dbraw/zinc/75/00/78/937750078.db2.gz UBFZZKTYUNVHGV-CYBMUJFWSA-N 0 0 269.344 3.121 20 10 CGCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)C1CCCC1 ZINC001470487800 937753792 /nfs/dbraw/zinc/75/37/92/937753792.db2.gz AQMMHIBIWHOZGD-JTQLQIEISA-N 0 0 296.798 3.424 20 10 CGCDRN Cc1sccc1NC(=O)c1ccc(C)c(O)c1O ZINC001471086622 937761549 /nfs/dbraw/zinc/76/15/49/937761549.db2.gz ZISPPRPJHXTCPO-UHFFFAOYSA-N 0 0 263.318 3.028 20 10 CGCDRN O=C(N[C@H](CF)c1ccc(F)cc1)C1=CC(=O)CS1 ZINC001471302544 937763913 /nfs/dbraw/zinc/76/39/13/937763913.db2.gz BGONBAZATYZMGC-LLVKDONJSA-N 0 0 283.299 3.033 20 10 CGCDRN C[C@]1(C(=O)NCc2c(O)ccc3ccccc32)CCCCO1 ZINC001472084704 937772481 /nfs/dbraw/zinc/77/24/81/937772481.db2.gz CCBJJMFFSCGABA-GOSISDBHSA-N 0 0 299.370 3.121 20 10 CGCDRN Cc1cnc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC001472808685 937785034 /nfs/dbraw/zinc/78/50/34/937785034.db2.gz XLUXHDGKHDYRKA-AWEZNQCLSA-N 0 0 284.407 3.203 20 10 CGCDRN O=[N+]([O-])c1cnc(NCc2cc(Cl)ccc2O)c(F)c1 ZINC001472825607 937785822 /nfs/dbraw/zinc/78/58/22/937785822.db2.gz PCKZOSNNOFQQSP-UHFFFAOYSA-N 0 0 297.673 3.100 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C/C=C/C2CC2)c1[O-] ZINC001325012426 934881013 /nfs/dbraw/zinc/88/10/13/934881013.db2.gz XWHMZJUEBNNHGB-OWOJBTEDSA-N 0 0 282.727 3.010 20 10 CGCDRN CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC001325314290 934903509 /nfs/dbraw/zinc/90/35/09/934903509.db2.gz WPIKSCBDICKTID-MVWJERBFSA-N 0 0 269.772 3.264 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](F)C1 ZINC001330676710 935310795 /nfs/dbraw/zinc/31/07/95/935310795.db2.gz KQPNZEMPMVIOOJ-LBPRGKRZSA-N 0 0 292.379 3.340 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc(F)c1F ZINC001333368699 935530329 /nfs/dbraw/zinc/53/03/29/935530329.db2.gz LLMODHFZVQSBEA-BBBLOLIVSA-N 0 0 289.272 3.194 20 10 CGCDRN C[C@H]([NH2+]CCCC(F)F)c1cc(F)cc(F)c1[O-] ZINC001334039057 936080697 /nfs/dbraw/zinc/08/06/97/936080697.db2.gz HRKGDRIJIFMATP-ZETCQYMHSA-N 0 0 265.250 3.366 20 10 CGCDRN C[C@H]1CCCC[C@]1(C)NC(=O)NCc1ccc(N)cc1 ZINC001336290922 936186814 /nfs/dbraw/zinc/18/68/14/936186814.db2.gz XAGTYWRJCOIFHG-LRDDRELGSA-N 0 0 275.396 3.037 20 10 CGCDRN CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001336357126 936189872 /nfs/dbraw/zinc/18/98/72/936189872.db2.gz ZBQXTHFHKKQXSW-LBPRGKRZSA-N 0 0 288.351 3.110 20 10 CGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001336799101 936218889 /nfs/dbraw/zinc/21/88/89/936218889.db2.gz KCSXBQCPXLIWEM-ZBFHGGJFSA-N 0 0 289.423 3.283 20 10 CGCDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2O)nc1 ZINC001337802080 936290520 /nfs/dbraw/zinc/29/05/20/936290520.db2.gz ZVYZGVUNBKKJCO-SECBINFHSA-N 0 0 289.310 3.058 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001473922686 937830425 /nfs/dbraw/zinc/83/04/25/937830425.db2.gz FUMRWRLNZQFZIU-BXUZGUMPSA-N 0 0 278.352 3.359 20 10 CGCDRN CCCCC[C@H](NCc1cccc(CC)c1O)C(=O)OC ZINC001474450647 937860562 /nfs/dbraw/zinc/86/05/62/937860562.db2.gz UBWUUCDGQAJQRR-HNNXBMFYSA-N 0 0 293.407 3.166 20 10 CGCDRN COc1cc(C)c(CN2CCc3cc(F)ccc32)c(O)c1 ZINC001474475549 937861776 /nfs/dbraw/zinc/86/17/76/937861776.db2.gz FFSYQPAVLZPGFI-UHFFFAOYSA-N 0 0 287.334 3.411 20 10 CGCDRN CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474478486 937862496 /nfs/dbraw/zinc/86/24/96/937862496.db2.gz HBORUBMTEOBICV-MRXNPFEDSA-N 0 0 299.361 3.452 20 10 CGCDRN Cc1ccc(CNc2cccc([S@@](C)=O)c2)c(O)c1 ZINC001474536584 937865177 /nfs/dbraw/zinc/86/51/77/937865177.db2.gz BZEDRYDQGOUXAL-LJQANCHMSA-N 0 0 275.373 3.050 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCC[C@@H]1CCO1 ZINC001474557783 937866929 /nfs/dbraw/zinc/86/69/29/937866929.db2.gz VEYOWKIAPBFQFD-OAHLLOKOSA-N 0 0 275.392 3.407 20 10 CGCDRN CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474574710 937868086 /nfs/dbraw/zinc/86/80/86/937868086.db2.gz LGBOXWSANKGWIT-LBPRGKRZSA-N 0 0 285.334 3.061 20 10 CGCDRN Cc1cc(O)c(CN2C[C@H](C)OCC23CCC3)cc1Cl ZINC001474612714 937870256 /nfs/dbraw/zinc/87/02/56/937870256.db2.gz PLFXYMIURONESX-LBPRGKRZSA-N 0 0 295.810 3.497 20 10 CGCDRN CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1c([O-])cccc1F ZINC001474716233 937876592 /nfs/dbraw/zinc/87/65/92/937876592.db2.gz FYZWBKIDTXVCMO-LSDHHAIUSA-N 0 0 281.371 3.215 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C=CCC1 ZINC001478936524 937913826 /nfs/dbraw/zinc/91/38/26/937913826.db2.gz BGMBGSYEFCRUEV-MRXNPFEDSA-N 0 0 299.418 3.147 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc(Cl)nc1 ZINC001519912166 938021635 /nfs/dbraw/zinc/02/16/35/938021635.db2.gz DCMBAGQUNQCYOT-UTCJRWHESA-N 0 0 287.750 3.115 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC001523212009 938038699 /nfs/dbraw/zinc/03/86/99/938038699.db2.gz KSTSRDQENGQZEL-YCPHGPKFSA-N 0 0 288.435 3.441 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N(C)c2cccc(Cl)n2)s1 ZINC001528256227 938066521 /nfs/dbraw/zinc/06/65/21/938066521.db2.gz PTBXHDJSHRJVKA-SREVYHEPSA-N 0 0 293.779 3.176 20 10 CGCDRN Cn1cnc(/C=C/C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC001533800427 938092262 /nfs/dbraw/zinc/09/22/62/938092262.db2.gz JCCCITDFDPACMP-ZHACJKMWSA-N 0 0 295.386 3.267 20 10 CGCDRN CN(C)c1c(Cl)cccc1NC(=O)C1=CC(=O)CS1 ZINC001543327997 938138979 /nfs/dbraw/zinc/13/89/79/938138979.db2.gz SROKZXSFZVSIFC-UHFFFAOYSA-N 0 0 296.779 3.425 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1scnc1C(F)F ZINC001545503178 938149744 /nfs/dbraw/zinc/14/97/44/938149744.db2.gz PYARKNXOBHIXGU-UHFFFAOYSA-N 0 0 298.314 3.059 20 10 CGCDRN CCc1cccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001556938138 938206764 /nfs/dbraw/zinc/20/67/64/938206764.db2.gz QCTODNUBMLTOGW-CSKARUKUSA-N 0 0 297.354 3.336 20 10 CGCDRN C/C(=C/C(=O)NCc1ccc(O)cc1O)c1ccccc1C ZINC001557084486 938207808 /nfs/dbraw/zinc/20/78/08/938207808.db2.gz BBVHOMLFQMPBLA-LCYFTJDESA-N 0 0 297.354 3.126 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(Cl)s2)c1 ZINC001557553961 938210632 /nfs/dbraw/zinc/21/06/32/938210632.db2.gz RXDADXLOCYEFOO-UHFFFAOYSA-N 0 0 281.764 3.346 20 10 CGCDRN O=C(CC[C@H]1CCCO1)NCc1c(O)ccc2ccccc21 ZINC001558554671 938216223 /nfs/dbraw/zinc/21/62/23/938216223.db2.gz TWEGIRTWALTWFZ-CQSZACIVSA-N 0 0 299.370 3.121 20 10 CGCDRN Cc1nc2ncnn2c(Sc2ncc(Cl)s2)c1C ZINC001559246728 938223461 /nfs/dbraw/zinc/22/34/61/938223461.db2.gz BMOATKBKTJCAEA-UHFFFAOYSA-N 0 0 297.796 3.002 20 10 CGCDRN CO[C@H](CN(C)c1ccc2c(c1)OCO2)C1CCCCC1 ZINC001559656387 938231927 /nfs/dbraw/zinc/23/19/27/938231927.db2.gz ILUXKJZBGDLAFZ-QGZVFWFLSA-N 0 0 291.391 3.447 20 10 CGCDRN CCCCOCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001560248421 938249191 /nfs/dbraw/zinc/24/91/91/938249191.db2.gz PMQFEFACRVZQTD-UHFFFAOYSA-N 0 0 289.778 3.481 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2ccc3[nH]nnc3c2)cc1 ZINC001560380967 938256190 /nfs/dbraw/zinc/25/61/90/938256190.db2.gz RDPYBJRNWSQYGL-ONEGZZNKSA-N 0 0 293.374 3.149 20 10 CGCDRN Cc1nc(F)ccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001560616055 938265877 /nfs/dbraw/zinc/26/58/77/938265877.db2.gz MFNSSLZSRAALEL-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN Oc1cc(Cl)ccc1CNc1cccc2c1OCO2 ZINC001560751101 938274004 /nfs/dbraw/zinc/27/40/04/938274004.db2.gz JAJSKPGNLPSXPY-UHFFFAOYSA-N 0 0 277.707 3.386 20 10 CGCDRN O=C(OCCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001561857401 938296970 /nfs/dbraw/zinc/29/69/70/938296970.db2.gz RPERNSAXTJYCKT-UHFFFAOYSA-N 0 0 283.327 3.087 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)c1ccccc1F ZINC001570531309 961985623 /nfs/dbraw/zinc/98/56/23/961985623.db2.gz CEXQOWAVMLMBQB-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN COc1cc(C)c(OC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC001579144384 962610673 /nfs/dbraw/zinc/61/06/73/962610673.db2.gz DAOQSTDPEAEYIB-UHFFFAOYSA-N 0 0 285.343 3.042 20 10 CGCDRN C[C@@H](NC(=O)Cc1cc(F)ccc1F)c1ccccc1O ZINC001587447182 963196325 /nfs/dbraw/zinc/19/63/25/963196325.db2.gz LIJASWKBTYQJOT-SNVBAGLBSA-N 0 0 291.297 3.090 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1O ZINC001589123179 963342670 /nfs/dbraw/zinc/34/26/70/963342670.db2.gz JRPABNKOEKHIPO-KNXALSJPSA-N 0 0 297.354 3.356 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)CC(F)F ZINC001592707329 979188128 /nfs/dbraw/zinc/18/81/28/979188128.db2.gz ZDABFRRDGLVELZ-BDAKNGLRSA-N 0 0 287.306 3.032 20 10 CGCDRN COc1c(C)cnc(CSc2nccs2)c1C ZINC000074016014 345457196 /nfs/dbraw/zinc/45/71/96/345457196.db2.gz XPQNWSNJIUCRKB-UHFFFAOYSA-N 0 0 266.391 3.456 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/C2CC2)cc1 ZINC000079629350 345649498 /nfs/dbraw/zinc/64/94/98/345649498.db2.gz NXFYWWXEBABXLB-FMIVXFBMSA-N 0 0 272.392 3.115 20 10 CGCDRN CN(C)c1ccc(CNc2ccnc(C(C)(C)C)n2)cc1 ZINC000080774656 345687188 /nfs/dbraw/zinc/68/71/88/345687188.db2.gz BYCWNCJSXGOPEY-UHFFFAOYSA-N 0 0 284.407 3.452 20 10 CGCDRN CCOc1ccc(O)c(CN(CC(F)F)C(C)C)c1 ZINC000092045321 345828833 /nfs/dbraw/zinc/82/88/33/345828833.db2.gz JARRYPYQZXDGNI-UHFFFAOYSA-N 0 0 273.323 3.266 20 10 CGCDRN C[C@H]([NH2+]CCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000194226366 299290789 /nfs/dbraw/zinc/29/07/89/299290789.db2.gz VLEYWIMLEVKBCU-QMMMGPOBSA-N 0 0 278.179 3.122 20 10 CGCDRN Nc1ccc(CC(=O)NC2CCCCCCC2)cc1 ZINC000019384712 368749585 /nfs/dbraw/zinc/74/95/85/368749585.db2.gz GBSVKHLCUFBAKR-UHFFFAOYSA-N 0 0 260.381 3.040 20 10 CGCDRN COc1nc(C)cc(C)c1CSc1nccs1 ZINC000286501065 371509866 /nfs/dbraw/zinc/50/98/66/371509866.db2.gz IQYWJCNXEZZBDF-UHFFFAOYSA-N 0 0 266.391 3.456 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425520443 372130759 /nfs/dbraw/zinc/13/07/59/372130759.db2.gz WLRSXPOULQCPKC-BTTYYORXSA-N 0 0 297.402 3.084 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCSC1 ZINC000293765391 372474737 /nfs/dbraw/zinc/47/47/37/372474737.db2.gz ZMBSJTMPCXJYBR-VIFPVBQESA-N 0 0 275.776 3.170 20 10 CGCDRN C[N@H+](CCF)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000293641165 372432988 /nfs/dbraw/zinc/43/29/88/372432988.db2.gz MCZFZVXYUCZCPR-UHFFFAOYSA-N 0 0 252.116 3.100 20 10 CGCDRN Cc1cc(C(=O)NC2(C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000293797727 372485406 /nfs/dbraw/zinc/48/54/06/372485406.db2.gz BBYMAHGUPHLABE-UHFFFAOYSA-N 0 0 297.402 3.408 20 10 CGCDRN Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(F)c(F)c1)CC2 ZINC000296014780 372992443 /nfs/dbraw/zinc/99/24/43/372992443.db2.gz PAYBSVWGCZOUQD-AWEZNQCLSA-N 0 0 275.298 3.448 20 10 CGCDRN CCn1ccnc1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000297573497 373274675 /nfs/dbraw/zinc/27/46/75/373274675.db2.gz GUZVBVGXYGFRSW-CQSZACIVSA-N 0 0 298.434 3.136 20 10 CGCDRN O=C(CSc1nccs1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000298764038 373402601 /nfs/dbraw/zinc/40/26/01/373402601.db2.gz DUTPAXVMJKBZQR-NEPJUHHUSA-N 0 0 296.461 3.416 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCC1CCC1 ZINC000176977460 373645031 /nfs/dbraw/zinc/64/50/31/373645031.db2.gz YWOPPROQHGEKOL-UHFFFAOYSA-N 0 0 288.391 3.058 20 10 CGCDRN Cc1cc2c(N[C@@H](C)c3ccc(N(C)C)cc3)nccn2n1 ZINC000302416525 373865955 /nfs/dbraw/zinc/86/59/55/373865955.db2.gz IXUMKDPEHLJAJE-ZDUSSCGKSA-N 0 0 295.390 3.277 20 10 CGCDRN CN(Cc1ccccc1O)c1cccc(F)c1[N+](=O)[O-] ZINC000302676315 373924246 /nfs/dbraw/zinc/92/42/46/373924246.db2.gz UMIKRMZVAGJAIJ-UHFFFAOYSA-N 0 0 276.267 3.076 20 10 CGCDRN CCC[C@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000180318881 373991118 /nfs/dbraw/zinc/99/11/18/373991118.db2.gz SUYJRQDBMMPYQU-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN C[C@H](CCC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000182546281 374287810 /nfs/dbraw/zinc/28/78/10/374287810.db2.gz QDOKAWOGDKDOQP-CYBMUJFWSA-N 0 0 299.370 3.298 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000472220859 375010867 /nfs/dbraw/zinc/01/08/67/375010867.db2.gz DUHVKDOUUXCHJL-ZFWWWQNUSA-N 0 0 297.402 3.181 20 10 CGCDRN C/C=C/C=C\C(=O)NCc1c(C)c2ccccc2n1C ZINC000492743397 375452209 /nfs/dbraw/zinc/45/22/09/375452209.db2.gz YFUYDWMOUYHLFR-QTJNYWJXSA-N 0 0 268.360 3.235 20 10 CGCDRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1O ZINC000193073092 375821946 /nfs/dbraw/zinc/82/19/46/375821946.db2.gz VNAUELVKRZUSAI-GXTWGEPZSA-N 0 0 297.354 3.116 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528825987 375910927 /nfs/dbraw/zinc/91/09/27/375910927.db2.gz OFMALBXMSSNTDL-UONOGXRCSA-N 0 0 287.384 3.216 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245848055 376918096 /nfs/dbraw/zinc/91/80/96/376918096.db2.gz LSHQUSAVYIGHFI-FZMZJTMJSA-N 0 0 281.783 3.047 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2c(F)cccc2F)c1 ZINC000255311242 377749781 /nfs/dbraw/zinc/74/97/81/377749781.db2.gz VXJSEYBQKRJWFD-SREVYHEPSA-N 0 0 288.297 3.344 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccccc1OCC1CC1 ZINC000263666391 377949725 /nfs/dbraw/zinc/94/97/25/377949725.db2.gz HUVYYBYPLIOVJC-UHFFFAOYSA-N 0 0 297.354 3.111 20 10 CGCDRN CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000267306323 378035088 /nfs/dbraw/zinc/03/50/88/378035088.db2.gz AMDVBSHKPPTGET-UHFFFAOYSA-N 0 0 272.392 3.093 20 10 CGCDRN COc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)s1 ZINC000268613512 378081337 /nfs/dbraw/zinc/08/13/37/378081337.db2.gz SAJRQISAEYNCHO-TWGQIWQCSA-N 0 0 297.426 3.120 20 10 CGCDRN Nc1ccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000269136599 378192123 /nfs/dbraw/zinc/19/21/23/378192123.db2.gz RMEHNEYQDNIMSF-AEFFLSMTSA-N 0 0 278.355 3.111 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000269205429 378195850 /nfs/dbraw/zinc/19/58/50/378195850.db2.gz KWBNZSJOXHIFQY-KRWDZBQOSA-N 0 0 298.361 3.314 20 10 CGCDRN Cc1nccn1CCSc1ncc(-c2ccccc2)n1C ZINC000270626323 378377863 /nfs/dbraw/zinc/37/78/63/378377863.db2.gz FJPPSDOSJBVPFW-UHFFFAOYSA-N 0 0 298.415 3.384 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)cc2)c1 ZINC000273364905 378742330 /nfs/dbraw/zinc/74/23/30/378742330.db2.gz DXSQUZWOTHSVKQ-CYBMUJFWSA-N 0 0 299.370 3.338 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c(O)c1C ZINC000273382749 378744297 /nfs/dbraw/zinc/74/42/97/378744297.db2.gz IPLWUSASIAAKMG-CZUORRHYSA-N 0 0 299.418 3.471 20 10 CGCDRN CC(C)(C)c1nnc(NCc2c(O)cccc2Cl)o1 ZINC000273630602 378757818 /nfs/dbraw/zinc/75/78/18/378757818.db2.gz SKGVKVMQAHQFBZ-UHFFFAOYSA-N 0 0 281.743 3.338 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](C)c1ccc(C)c(C)c1O ZINC000273525981 378752682 /nfs/dbraw/zinc/75/26/82/378752682.db2.gz VGKWYRYUMAEHNA-LBPRGKRZSA-N 0 0 273.380 3.478 20 10 CGCDRN CN(C)c1ccc(C[NH2+]CCCCCCCC(=O)[O-])cc1 ZINC000277419973 379156355 /nfs/dbraw/zinc/15/63/55/379156355.db2.gz SVRIBVKBUUUQHW-UHFFFAOYSA-N 0 0 292.423 3.267 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285302105 380146115 /nfs/dbraw/zinc/14/61/15/380146115.db2.gz VYZHVDDAMHCHFE-KGLIPLIRSA-N 0 0 281.783 3.189 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(F)cc1[O-] ZINC000285685516 380153438 /nfs/dbraw/zinc/15/34/38/380153438.db2.gz OESWJATWTAELAV-DZGCQCFKSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1ncc(F)cn1 ZINC000359846795 381373116 /nfs/dbraw/zinc/37/31/16/381373116.db2.gz QPMZFSDOBXQMOZ-UHFFFAOYSA-N 0 0 270.311 3.028 20 10 CGCDRN COc1ccc(N(Cc2ccon2)CC(C)C)cc1 ZINC000740876566 572465453 /nfs/dbraw/zinc/46/54/53/572465453.db2.gz XYZDGVBMVBMJPP-UHFFFAOYSA-N 0 0 260.337 3.346 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000365166017 382282180 /nfs/dbraw/zinc/28/21/80/382282180.db2.gz DLPFAGUVVJUMAY-NSHDSACASA-N 0 0 295.745 3.075 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccnc(C3CC3)n2)cc1 ZINC000110117333 392378318 /nfs/dbraw/zinc/37/83/18/392378318.db2.gz XJOPRUXHQVADTH-UHFFFAOYSA-N 0 0 282.391 3.056 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cnc1Sc1nccs1 ZINC000153613742 392522062 /nfs/dbraw/zinc/52/20/62/392522062.db2.gz OOKCLPFAVZUUPW-UHFFFAOYSA-N 0 0 273.726 3.251 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(OC(F)F)cn2)cc1 ZINC000301837591 392599555 /nfs/dbraw/zinc/59/95/55/392599555.db2.gz YJCRXFVXAIUVMU-UHFFFAOYSA-N 0 0 293.317 3.361 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(-c3cncnc3)cn2)c1 ZINC000373960902 392664789 /nfs/dbraw/zinc/66/47/89/392664789.db2.gz ALUSUBWZYRQSRX-UHFFFAOYSA-N 0 0 292.342 3.165 20 10 CGCDRN CS[C@@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179189730 392691312 /nfs/dbraw/zinc/69/13/12/392691312.db2.gz AQKKAIRLNPFWQB-ZDUSSCGKSA-N 0 0 292.448 3.045 20 10 CGCDRN CCO[C@@H](C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000195188835 392961326 /nfs/dbraw/zinc/96/13/26/392961326.db2.gz GOUCRLJNYCLMKC-KRWDZBQOSA-N 0 0 289.350 3.399 20 10 CGCDRN Cc1ccsc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000018215088 170748379 /nfs/dbraw/zinc/74/83/79/170748379.db2.gz CBLXIGFWRKMUJI-UHFFFAOYSA-N 0 0 274.389 3.053 20 10 CGCDRN CCc1cccc(C)c1NC(=O)Cc1ccc(N)cc1 ZINC000019278064 170770178 /nfs/dbraw/zinc/77/01/78/170770178.db2.gz ZQPYKPFWDVQCPR-UHFFFAOYSA-N 0 0 268.360 3.321 20 10 CGCDRN CCOc1cncc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302336352 227840665 /nfs/dbraw/zinc/84/06/65/227840665.db2.gz AWQRIJJMFNOTJJ-LBPRGKRZSA-N 0 0 286.379 3.114 20 10 CGCDRN Cc1[nH]ccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352134522 228187065 /nfs/dbraw/zinc/18/70/65/228187065.db2.gz JJKZTWUHBRJSRZ-UHFFFAOYSA-N 0 0 281.359 3.053 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000037765359 260116055 /nfs/dbraw/zinc/11/60/55/260116055.db2.gz JXXAMRQMSBMEIH-CQSZACIVSA-N 0 0 282.387 3.306 20 10 CGCDRN COCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000150865079 260974831 /nfs/dbraw/zinc/97/48/31/260974831.db2.gz ADRVTCQLUSADFF-UHFFFAOYSA-N 0 0 279.311 3.080 20 10 CGCDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)c(C)n1 ZINC000152228648 261061666 /nfs/dbraw/zinc/06/16/66/261061666.db2.gz DWUDVDDMBMZYKB-UHFFFAOYSA-N 0 0 285.347 3.068 20 10 CGCDRN CCCC1(CNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000154179970 261088723 /nfs/dbraw/zinc/08/87/23/261088723.db2.gz QJFKTKPJQSXUSH-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN Cc1cccc(C)c1NCC(=O)N(C)Cc1ccccc1O ZINC000155633008 261105396 /nfs/dbraw/zinc/10/53/96/261105396.db2.gz 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/nfs/dbraw/zinc/04/30/15/262043015.db2.gz BNIXNPSBPLJQRG-SNVBAGLBSA-N 0 0 293.313 3.014 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000185327879 262050592 /nfs/dbraw/zinc/05/05/92/262050592.db2.gz ANNFZSGWTDYOSA-BZNIZROVSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000186982110 262119937 /nfs/dbraw/zinc/11/99/37/262119937.db2.gz SFCYUKRGCYJZDB-OAHLLOKOSA-N 0 0 297.354 3.384 20 10 CGCDRN CC(C)C1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000293703756 264973643 /nfs/dbraw/zinc/97/36/43/264973643.db2.gz MHYMFBHVGKGHIA-SNVBAGLBSA-N 0 0 264.325 3.140 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368735262 267200163 /nfs/dbraw/zinc/20/01/63/267200163.db2.gz ZBUMBGQGDQKPFM-CQSZACIVSA-N 0 0 295.810 3.437 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1[O-] ZINC000285728373 288090450 /nfs/dbraw/zinc/09/04/50/288090450.db2.gz QMHVYRFIWXNUPQ-JYJNAYRXSA-N 0 0 292.398 3.199 20 10 CGCDRN 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CC(C)CCC[C@@H](C)NC(=O)NCc1ccccc1O ZINC000748462690 572978063 /nfs/dbraw/zinc/97/80/63/572978063.db2.gz GTHQTTOXWPQRPX-CYBMUJFWSA-N 0 0 278.396 3.406 20 10 CGCDRN CC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000749930348 573062828 /nfs/dbraw/zinc/06/28/28/573062828.db2.gz JHYUYWWXUPNUHL-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCCCCCO ZINC000750790969 573179819 /nfs/dbraw/zinc/17/98/19/573179819.db2.gz JSMTXMKODJITRQ-UHFFFAOYSA-N 0 0 263.381 3.001 20 10 CGCDRN CCC[N@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1O ZINC000829473176 604476311 /nfs/dbraw/zinc/47/63/11/604476311.db2.gz NMSPWMKXQPLYNL-UHFFFAOYSA-N 0 0 299.370 3.356 20 10 CGCDRN CCCCCC(=O)NCc1cccc(Cl)c1O ZINC000890757489 617814651 /nfs/dbraw/zinc/81/46/51/617814651.db2.gz FLWYMFOLQCTDNG-UHFFFAOYSA-N 0 0 255.745 3.242 20 10 CGCDRN OCCCCCCOc1ccc(N2CCCC2)cc1 ZINC000134597150 617742668 /nfs/dbraw/zinc/74/26/68/617742668.db2.gz VLYJNTKZISJGNZ-UHFFFAOYSA-N 0 0 263.381 3.218 20 10 CGCDRN O=C(CCC(F)(F)F)NCc1cccc(Cl)c1O ZINC000890760121 617815274 /nfs/dbraw/zinc/81/52/74/617815274.db2.gz IQHURRZJBCAWSE-UHFFFAOYSA-N 0 0 281.661 3.004 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)C1=CCCCC1 ZINC000890759089 617815449 /nfs/dbraw/zinc/81/54/49/617815449.db2.gz BVHHYQXSHKTLDG-UHFFFAOYSA-N 0 0 265.740 3.162 20 10 CGCDRN CCCC[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890759867 617816224 /nfs/dbraw/zinc/81/62/24/617816224.db2.gz SVLBVMWDSOLDIV-SNVBAGLBSA-N 0 0 269.772 3.488 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890762741 617818265 /nfs/dbraw/zinc/81/82/65/617818265.db2.gz HHOCEPUCGSUVJP-GHMZBOCLSA-N 0 0 281.783 3.344 20 10 CGCDRN CCC/C=C/C(=O)NCc1cc(Br)ccc1O ZINC000804734835 617826708 /nfs/dbraw/zinc/82/67/08/617826708.db2.gz DZFNNMKEUFMZRH-SNAWJCMRSA-N 0 0 298.180 3.127 20 10 CGCDRN CC(C)C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000307821025 618139853 /nfs/dbraw/zinc/13/98/53/618139853.db2.gz XXEDKVXGKZEFTL-GFCCVEGCSA-N 0 0 261.369 3.169 20 10 CGCDRN CC(C)N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000900553644 620796098 /nfs/dbraw/zinc/79/60/98/620796098.db2.gz QGKQYNGPQVYBOG-UHFFFAOYSA-N 0 0 291.372 3.326 20 10 CGCDRN COc1cccc(CNc2ccc(F)cc2OC)c1O ZINC000049563798 618635603 /nfs/dbraw/zinc/63/56/03/618635603.db2.gz ZVEDFWSMPTWCTA-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN C[C@H]([NH2+]CCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000309160215 618642899 /nfs/dbraw/zinc/64/28/99/618642899.db2.gz YQJULLUATUFXAT-LURJTMIESA-N 0 0 252.116 3.319 20 10 CGCDRN CCN(C(=O)Cc1ccc(N)cc1)c1ccc(F)cc1 ZINC000050013020 618648527 /nfs/dbraw/zinc/64/85/27/618648527.db2.gz QJPFADMMLUIUEQ-UHFFFAOYSA-N 0 0 272.323 3.004 20 10 CGCDRN C[S@](=O)c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000121893125 618660620 /nfs/dbraw/zinc/66/06/20/618660620.db2.gz FCMZRKBAPYNFHJ-LJQANCHMSA-N 0 0 295.791 3.395 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000309779333 618768527 /nfs/dbraw/zinc/76/85/27/618768527.db2.gz MNINQNBSAASOFZ-JOYOIKCWSA-N 0 0 284.197 3.351 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc3ncccc3c2)c(O)c1O ZINC000177675488 618834792 /nfs/dbraw/zinc/83/47/92/618834792.db2.gz HJUYWYQBHQLGKL-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000185095600 625299764 /nfs/dbraw/zinc/29/97/64/625299764.db2.gz GRPZEPOXVRURGI-QFYYESIMSA-N 0 0 293.313 3.055 20 10 CGCDRN CSCCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168783819 618914195 /nfs/dbraw/zinc/91/41/95/618914195.db2.gz ULHHIUAPLWHREP-JTQLQIEISA-N 0 0 257.374 3.325 20 10 CGCDRN CN(CCCOCc1ccccc1)c1ccc(N)cc1 ZINC000310024412 619072661 /nfs/dbraw/zinc/07/26/61/619072661.db2.gz UAMOVJQHGJYYPZ-UHFFFAOYSA-N 0 0 270.376 3.312 20 10 CGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776255635 619118411 /nfs/dbraw/zinc/11/84/11/619118411.db2.gz FWXLJBZEYRPOJS-ZJUUUORDSA-N 0 0 287.762 3.089 20 10 CGCDRN CCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000015134386 619144464 /nfs/dbraw/zinc/14/44/64/619144464.db2.gz IQXQJIDNPJNGNN-UHFFFAOYSA-N 0 0 298.386 3.081 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000015134417 619144817 /nfs/dbraw/zinc/14/48/17/619144817.db2.gz BJSFJUFREPRYKF-UHFFFAOYSA-N 0 0 282.387 3.299 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cccc(CCO)c2)c1 ZINC000313153096 619163622 /nfs/dbraw/zinc/16/36/22/619163622.db2.gz DBVCEGVFXZZIFT-ZDUSSCGKSA-N 0 0 271.360 3.409 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CNc1ccccc1 ZINC000236732130 619182991 /nfs/dbraw/zinc/18/29/91/619182991.db2.gz MBDHSYRCEATKTH-UHFFFAOYSA-N 0 0 298.386 3.243 20 10 CGCDRN C[C@H]([NH2+]CCOc1ccccc1)c1ccc(F)cc1[O-] ZINC000062748302 619282873 /nfs/dbraw/zinc/28/28/73/619282873.db2.gz AHZUOGVECZJADR-LBPRGKRZSA-N 0 0 275.323 3.261 20 10 CGCDRN CCOC(=O)C1CCC(Sc2nccs2)CC1 ZINC000894044418 619358256 /nfs/dbraw/zinc/35/82/56/619358256.db2.gz CLQTVYHXWGJBCA-UHFFFAOYSA-N 0 0 271.407 3.357 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2ncc[nH]2)cc1F ZINC000894586021 619583856 /nfs/dbraw/zinc/58/38/56/619583856.db2.gz LLMBDPRHCWWULZ-UHFFFAOYSA-N 0 0 290.386 3.027 20 10 CGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1O ZINC000793610777 619733386 /nfs/dbraw/zinc/73/33/86/619733386.db2.gz YFLPYNYNBNNMJU-OAHLLOKOSA-N 0 0 297.826 3.481 20 10 CGCDRN CCc1ccncc1NCc1cc(C)cc(OC)c1O ZINC000895141999 619751443 /nfs/dbraw/zinc/75/14/43/619751443.db2.gz IAEQWHIPUDWVBC-UHFFFAOYSA-N 0 0 272.348 3.279 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000895766719 619881183 /nfs/dbraw/zinc/88/11/83/619881183.db2.gz XJYJJFDSXQINIE-UHFFFAOYSA-N 0 0 296.729 3.340 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000895790697 619886097 /nfs/dbraw/zinc/88/60/97/619886097.db2.gz KJSOPVSYBFGYSP-GFCCVEGCSA-N 0 0 299.773 3.234 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000895841249 619892149 /nfs/dbraw/zinc/89/21/49/619892149.db2.gz ADPDYUMAKLBNLK-WBMJQRKESA-N 0 0 295.810 3.355 20 10 CGCDRN CC1(C)C[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896328724 619995586 /nfs/dbraw/zinc/99/55/86/619995586.db2.gz SGXUGSNQIHGCSG-SECBINFHSA-N 0 0 291.372 3.088 20 10 CGCDRN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000896608718 620036805 /nfs/dbraw/zinc/03/68/05/620036805.db2.gz AOBASWVBIOZDHJ-MRVPVSSYSA-N 0 0 275.751 3.088 20 10 CGCDRN COc1cccc(C)c1C[NH2+]Cc1c([O-])cccc1F ZINC000896636906 620041508 /nfs/dbraw/zinc/04/15/08/620041508.db2.gz GMEGMCZERONQLW-UHFFFAOYSA-N 0 0 275.323 3.138 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000896864819 620079316 /nfs/dbraw/zinc/07/93/16/620079316.db2.gz OCYKULONDBQRLO-IMTBSYHQSA-N 0 0 297.679 3.473 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000841757793 620404168 /nfs/dbraw/zinc/40/41/68/620404168.db2.gz APCSDUIDVMCALH-UVPNAGLESA-N 0 0 290.190 3.263 20 10 CGCDRN CN(C)c1ccc(CNc2cnn(C3CCC3)c2)cc1 ZINC000897874432 620441328 /nfs/dbraw/zinc/44/13/28/620441328.db2.gz XJJWDPHIYOBNNQ-UHFFFAOYSA-N 0 0 270.380 3.286 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1c([O-])cccc1F ZINC000926944584 620553320 /nfs/dbraw/zinc/55/33/20/620553320.db2.gz HULUEMUTBKLOAK-XHNCKOQMSA-N 0 0 277.261 3.380 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(F)cc1[O-] ZINC000927016055 620561802 /nfs/dbraw/zinc/56/18/02/620561802.db2.gz DXQILBGHDCQTCS-NHYWBVRUSA-N 0 0 267.344 3.141 20 10 CGCDRN COC[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(C)C ZINC000927096382 620574751 /nfs/dbraw/zinc/57/47/51/620574751.db2.gz WQKZYPDARCKOAG-VXGBXAGGSA-N 0 0 269.360 3.101 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)cc1 ZINC000042117323 620611086 /nfs/dbraw/zinc/61/10/86/620611086.db2.gz PEIMQJAWKBBHIL-UHFFFAOYSA-N 0 0 289.762 3.247 20 10 CGCDRN CC(C)Nc1ccccc1NC[C@@H]1C[C@@]12CCOC2 ZINC000902104291 621137289 /nfs/dbraw/zinc/13/72/89/621137289.db2.gz AJSJCGXNECKLDM-XJKSGUPXSA-N 0 0 260.381 3.345 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cnc(C2CC2)nc1 ZINC000902089552 621141955 /nfs/dbraw/zinc/14/19/55/621141955.db2.gz DUIYMBCCCNHKIU-UHFFFAOYSA-N 0 0 275.739 3.325 20 10 CGCDRN CN(C)c1ccc(OCc2cc(C(F)(F)F)nn2C)cc1 ZINC000902734467 621417318 /nfs/dbraw/zinc/41/73/18/621417318.db2.gz WQSMJLQQZIBNNW-UHFFFAOYSA-N 0 0 299.296 3.084 20 10 CGCDRN C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1c([O-])cccc1F ZINC000903281210 621660973 /nfs/dbraw/zinc/66/09/73/621660973.db2.gz YYHKRNKHCWUGJL-YGNMJOSFSA-N 0 0 279.355 3.140 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cccc(Cl)c1[O-] ZINC000903299741 621667640 /nfs/dbraw/zinc/66/76/40/621667640.db2.gz DHEZBTOQBFINGE-LEWSCRJBSA-N 0 0 282.815 3.179 20 10 CGCDRN COc1cc(F)ccc1NCc1cccc(C)c1O ZINC000083445872 625520417 /nfs/dbraw/zinc/52/04/17/625520417.db2.gz YHYJXCBEQJWZAI-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CC(C)(Cc1nc(Cc2ccc(N)cc2)no1)CC(F)F ZINC000904076355 621864401 /nfs/dbraw/zinc/86/44/01/621864401.db2.gz BPNXWYJIHZUQNP-UHFFFAOYSA-N 0 0 295.333 3.467 20 10 CGCDRN Cc1nc(C)c(/C=C2/c3cc(C)ccc3N(C)C2=O)o1 ZINC000905077650 622032489 /nfs/dbraw/zinc/03/24/89/622032489.db2.gz ZWUZJCRMRUCCDH-JYRVWZFOSA-N 0 0 268.316 3.117 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SC[C@](C)(O)C(F)F ZINC000905892456 622122144 /nfs/dbraw/zinc/12/21/44/622122144.db2.gz XBZCXBROPJJIKS-AWEZNQCLSA-N 0 0 298.358 3.195 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(Cl)nc2)c1 ZINC000149568970 622341578 /nfs/dbraw/zinc/34/15/78/622341578.db2.gz VSBNKPXZJBAKJN-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1cccc(C2CCC2)c1 ZINC000910946574 622511697 /nfs/dbraw/zinc/51/16/97/622511697.db2.gz QPHSPLWLWXYFNP-UHFFFAOYSA-N 0 0 297.354 3.295 20 10 CGCDRN CC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000150724642 622652568 /nfs/dbraw/zinc/65/25/68/622652568.db2.gz CJFVWSCCINIEME-JTQLQIEISA-N 0 0 272.304 3.206 20 10 CGCDRN CCOc1ccc(N(C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000150732096 622658367 /nfs/dbraw/zinc/65/83/67/622658367.db2.gz LKADOBXWTHXJBZ-KRWDZBQOSA-N 0 0 289.350 3.394 20 10 CGCDRN CCC[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000163751342 622800080 /nfs/dbraw/zinc/80/00/80/622800080.db2.gz YURBTFBQDMKJDU-VIFPVBQESA-N 0 0 272.186 3.433 20 10 CGCDRN CCCc1nccn1Cc1ccc(N(C)CC)cc1 ZINC000157969424 622990285 /nfs/dbraw/zinc/99/02/85/622990285.db2.gz UHBIHWNIBGEHTE-UHFFFAOYSA-N 0 0 257.381 3.340 20 10 CGCDRN C[C@@H]1CSCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000172514379 623253343 /nfs/dbraw/zinc/25/33/43/623253343.db2.gz AMIRFSYWSGVLAM-GFCCVEGCSA-N 0 0 273.401 3.483 20 10 CGCDRN CCN(CC)c1ccc(CNc2cccnn2)cc1F ZINC000172758708 623276532 /nfs/dbraw/zinc/27/65/32/623276532.db2.gz FULIJBMWCYJSFH-UHFFFAOYSA-N 0 0 274.343 3.074 20 10 CGCDRN CC[C@@H](C)CN(CCOC)c1ccc(OC)c(OC)c1 ZINC000088535095 623466662 /nfs/dbraw/zinc/46/66/62/623466662.db2.gz OEWYQYVLABKWII-CYBMUJFWSA-N 0 0 281.396 3.203 20 10 CGCDRN C[C@@H](NC(=O)C1(C2CC2)CCC1)c1ccccc1O ZINC000913763718 623576527 /nfs/dbraw/zinc/57/65/27/623576527.db2.gz PDOSVRISRNYUBR-LLVKDONJSA-N 0 0 259.349 3.150 20 10 CGCDRN C/C(=C(/F)C(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000913763369 623576847 /nfs/dbraw/zinc/57/68/47/623576847.db2.gz DTHVXPSLOSRNJS-ADVUTCEVSA-N 0 0 263.312 3.223 20 10 CGCDRN CON(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000914754959 623856706 /nfs/dbraw/zinc/85/67/06/623856706.db2.gz MBWRXGAIMJJGAH-UHFFFAOYSA-N 0 0 272.348 3.036 20 10 CGCDRN c1csc(Sc2n[nH]c(-c3ccccc3)n2)n1 ZINC000914862443 623869826 /nfs/dbraw/zinc/86/98/26/623869826.db2.gz HBQZVDDOJYEIIN-UHFFFAOYSA-N 0 0 260.347 3.079 20 10 CGCDRN Cn1cccc1/C=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000915841481 624040802 /nfs/dbraw/zinc/04/08/02/624040802.db2.gz RELDHLOVMDUKIN-WQLSENKSSA-N 0 0 258.708 3.171 20 10 CGCDRN Clc1cnc(SC[C@H]2C[C@]23CCOC3)s1 ZINC000918095669 624333481 /nfs/dbraw/zinc/33/34/81/624333481.db2.gz LGLTWMAXMBUTLE-XCBNKYQSSA-N 0 0 261.799 3.315 20 10 CGCDRN CN(C)c1ccc(Cn2ccnc2C(F)(F)F)cc1 ZINC000919900401 624430915 /nfs/dbraw/zinc/43/09/15/624430915.db2.gz HJQTTXLRRPUTHO-UHFFFAOYSA-N 0 0 269.270 3.016 20 10 CGCDRN Cc1cc(C(=O)NC[C@H](C)C2CC2)c(C)n1-c1ccccn1 ZINC000920040915 624440892 /nfs/dbraw/zinc/44/08/92/624440892.db2.gz XDSDNBWPUISLKM-LBPRGKRZSA-N 0 0 297.402 3.265 20 10 CGCDRN CC(C)CCO[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179576433 624667478 /nfs/dbraw/zinc/66/74/78/624667478.db2.gz OGFZPMCWHGCYOB-OAHLLOKOSA-N 0 0 263.381 3.029 20 10 CGCDRN CCN(C)c1ccc([C@H](C)Nc2cnn(C)c2C)cc1 ZINC000179872475 624691752 /nfs/dbraw/zinc/69/17/52/624691752.db2.gz DZKDDHFDUHLYEL-LBPRGKRZSA-N 0 0 272.396 3.358 20 10 CGCDRN COC(=O)C1([N@H+](C)Cc2cccc(C)c2O)CCCCC1 ZINC000180208666 624728681 /nfs/dbraw/zinc/72/86/81/624728681.db2.gz INPRBUQMPRITNI-UHFFFAOYSA-N 0 0 291.391 3.008 20 10 CGCDRN CC[C@H]1CCCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181112429 624811177 /nfs/dbraw/zinc/81/11/77/624811177.db2.gz ZKOQILGUNIVSNY-PLWJUESGSA-N 0 0 289.375 3.292 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCCC[C@H]1C ZINC000182309911 624979625 /nfs/dbraw/zinc/97/96/25/624979625.db2.gz UJOFXIUGJRTXFW-BXUZGUMPSA-N 0 0 291.391 3.447 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000070384275 625002249 /nfs/dbraw/zinc/00/22/49/625002249.db2.gz GTUWJBWVJLJQAT-AOOOYVTPSA-N 0 0 297.395 3.060 20 10 CGCDRN CC1(C)CCC(=CC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000182544074 625010539 /nfs/dbraw/zinc/01/05/39/625010539.db2.gz UDBXFGKJAMMELA-UHFFFAOYSA-N 0 0 289.375 3.241 20 10 CGCDRN CCOCCCNc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000070703865 625028121 /nfs/dbraw/zinc/02/81/21/625028121.db2.gz ZBRDDCDZWDAFLM-UHFFFAOYSA-N 0 0 294.376 3.060 20 10 CGCDRN COC(=O)c1cccc(NCc2cc(C)ccc2O)c1 ZINC000071406969 625086271 /nfs/dbraw/zinc/08/62/71/625086271.db2.gz XZSVEVVNLDNFSP-UHFFFAOYSA-N 0 0 271.316 3.099 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000184847625 625277247 /nfs/dbraw/zinc/27/72/47/625277247.db2.gz YPTBVSPUXVXZKY-ZDUSSCGKSA-N 0 0 294.414 3.446 20 10 CGCDRN CCCc1ncc(CNCc2ccc3c(c2)CCCO3)o1 ZINC000922161630 625976393 /nfs/dbraw/zinc/97/63/93/625976393.db2.gz DFRQNXVRHMIWHQ-UHFFFAOYSA-N 0 0 286.375 3.242 20 10 CGCDRN OCc1cccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000922287492 625993318 /nfs/dbraw/zinc/99/33/18/625993318.db2.gz BEXIPMXIXUODPF-UHFFFAOYSA-N 0 0 297.402 3.176 20 10 CGCDRN C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000756626299 626154609 /nfs/dbraw/zinc/15/46/09/626154609.db2.gz CAXODBTXWNYANJ-LLVKDONJSA-N 0 0 297.370 3.304 20 10 CGCDRN Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000020092749 634482323 /nfs/dbraw/zinc/48/23/23/634482323.db2.gz QLHRAKZHMGINSA-UHFFFAOYSA-N 0 0 282.387 3.444 20 10 CGCDRN CN(C)c1ccc(CNC(CF)CF)c(C(F)(F)F)c1 ZINC000824554096 626171504 /nfs/dbraw/zinc/17/15/04/626171504.db2.gz ALOSYNVGEHHLNN-UHFFFAOYSA-N 0 0 296.283 3.169 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(C)cc1O ZINC000840815672 626248778 /nfs/dbraw/zinc/24/87/78/626248778.db2.gz OWCYTSVABOWQTQ-OCCSQVGLSA-N 0 0 273.380 3.236 20 10 CGCDRN CC(C)CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873912739 634493802 /nfs/dbraw/zinc/49/38/02/634493802.db2.gz WMPZLODAQFXGFX-LLVKDONJSA-N 0 0 290.367 3.404 20 10 CGCDRN Cc1ccc2c(c1C)N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC000839435505 626350048 /nfs/dbraw/zinc/35/00/48/626350048.db2.gz FWWFDEDPHPNKMU-VQHVLOKHSA-N 0 0 295.386 3.030 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]2C)cc1 ZINC000804967517 626366977 /nfs/dbraw/zinc/36/69/77/626366977.db2.gz WGSSYDOYKHKRRR-XJKSGUPXSA-N 0 0 289.423 3.131 20 10 CGCDRN CCCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751932268 626412187 /nfs/dbraw/zinc/41/21/87/626412187.db2.gz STPVYCOXGZXYMO-UHFFFAOYSA-N 0 0 290.388 3.273 20 10 CGCDRN CC[C@H](C)CCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000752598574 626433777 /nfs/dbraw/zinc/43/37/77/626433777.db2.gz DABMCZGNTYSFEU-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN Cn1c(Cl)cnc1/C=C1/C(=O)Nc2cc(Cl)ccc21 ZINC000752887523 626441508 /nfs/dbraw/zinc/44/15/08/626441508.db2.gz OCRPTEGEGZLMJL-WEVVVXLNSA-N 0 0 294.141 3.220 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000753024314 626443995 /nfs/dbraw/zinc/44/39/95/626443995.db2.gz BQJJMNDWBNSWRU-PZBABLGHSA-N 0 0 289.375 3.006 20 10 CGCDRN CCc1cc(C)nc(NCc2ccc(N(C)C)cc2)n1 ZINC000753550767 626454828 /nfs/dbraw/zinc/45/48/28/626454828.db2.gz IATFCGKMCKEBRO-UHFFFAOYSA-N 0 0 270.380 3.026 20 10 CGCDRN C[C@@H]1CC/C(=C\C(=O)NCCCSc2nccs2)C1 ZINC000753605328 626458301 /nfs/dbraw/zinc/45/83/01/626458301.db2.gz HTRJDSXOEHMATF-KPMWUXBGSA-N 0 0 296.461 3.488 20 10 CGCDRN COCC(C)(C)CN1CCCc2cc(OC)ccc21 ZINC000756098562 626676440 /nfs/dbraw/zinc/67/64/40/626676440.db2.gz DUALLBPITSWFLO-UHFFFAOYSA-N 0 0 263.381 3.120 20 10 CGCDRN CCC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000756298849 626690126 /nfs/dbraw/zinc/69/01/26/626690126.db2.gz HDCRWYJGJYORQH-CQSZACIVSA-N 0 0 296.386 3.015 20 10 CGCDRN COC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756342108 626693758 /nfs/dbraw/zinc/69/37/58/626693758.db2.gz MZKOYTBIUXTUKZ-HTQZYQBOSA-N 0 0 278.179 3.385 20 10 CGCDRN CC(C)OCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756353287 626694911 /nfs/dbraw/zinc/69/49/11/626694911.db2.gz YRQMZELBOFUWPX-JTQLQIEISA-N 0 0 273.323 3.136 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC000756355648 626695200 /nfs/dbraw/zinc/69/52/00/626695200.db2.gz QFIJFJGBLIUYOA-UWVGGRQHSA-N 0 0 278.302 3.477 20 10 CGCDRN C[C@H]([NH2+]Cc1cccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756371553 626697463 /nfs/dbraw/zinc/69/74/63/626697463.db2.gz LDBWKBWLESXLCK-VIFPVBQESA-N 0 0 278.333 3.213 20 10 CGCDRN CC(C)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756373770 626697568 /nfs/dbraw/zinc/69/75/68/626697568.db2.gz YQYLLHGEAWMBHU-LLVKDONJSA-N 0 0 266.341 3.387 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC=CCC2)c1 ZINC000756476392 626708336 /nfs/dbraw/zinc/70/83/36/626708336.db2.gz UEPVSQXZTNXGAL-STQMWFEESA-N 0 0 289.375 3.186 20 10 CGCDRN CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756533109 626712537 /nfs/dbraw/zinc/71/25/37/626712537.db2.gz HABRCJISDATNIE-QWRGUYRKSA-N 0 0 286.366 3.051 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756554203 626714369 /nfs/dbraw/zinc/71/43/69/626714369.db2.gz ODGUOHYQJCZKCR-SSDOTTSWSA-N 0 0 286.162 3.273 20 10 CGCDRN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756624838 626721491 /nfs/dbraw/zinc/72/14/91/626721491.db2.gz GVEVZLNBXVSHSU-LLVKDONJSA-N 0 0 299.361 3.264 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000756630374 626721858 /nfs/dbraw/zinc/72/18/58/626721858.db2.gz VHGDJQONBDOUJI-ABAIWWIYSA-N 0 0 281.371 3.387 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CC=C(C)CC2)c1O ZINC000756635154 626722930 /nfs/dbraw/zinc/72/29/30/626722930.db2.gz IVYLQPFDKSAXKB-UHFFFAOYSA-N 0 0 279.767 3.400 20 10 CGCDRN CCCN(CC)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756637108 626723465 /nfs/dbraw/zinc/72/34/65/626723465.db2.gz MUMLRQNSMCCOEB-NSHDSACASA-N 0 0 286.366 3.053 20 10 CGCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756646700 626724108 /nfs/dbraw/zinc/72/41/08/626724108.db2.gz NTHKZMXILCISET-MXWKQRLJSA-N 0 0 285.334 3.136 20 10 CGCDRN CN(Cc1ccccc1F)c1ccc2c(c1)OCO2 ZINC000756655380 626724588 /nfs/dbraw/zinc/72/45/88/626724588.db2.gz QQBYPWASQVDRSJ-UHFFFAOYSA-N 0 0 259.280 3.191 20 10 CGCDRN CN(Cc1ccn(C2CCCC2)n1)c1ccc2c(c1)OCO2 ZINC000756653183 626724631 /nfs/dbraw/zinc/72/46/31/626724631.db2.gz CRMONVSQCNDKEN-UHFFFAOYSA-N 0 0 299.374 3.363 20 10 CGCDRN C[C@@H]([NH2+]CCC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756742849 626729415 /nfs/dbraw/zinc/72/94/15/626729415.db2.gz QCNKNMFXLBBULH-SNVBAGLBSA-N 0 0 264.325 3.141 20 10 CGCDRN Cc1ncc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000756763010 626730236 /nfs/dbraw/zinc/73/02/36/626730236.db2.gz WOCWBKHUFZMXOA-VIFPVBQESA-N 0 0 280.368 3.190 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000756851252 626737850 /nfs/dbraw/zinc/73/78/50/626737850.db2.gz QXWHIPBREFWSOY-GXSJLCMTSA-N 0 0 299.317 3.017 20 10 CGCDRN CCCCCCO[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000839541480 626761079 /nfs/dbraw/zinc/76/10/79/626761079.db2.gz FIZAKFTZXGMYEX-CQSZACIVSA-N 0 0 293.407 3.336 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(CO)CCCCC1 ZINC000124852647 634521900 /nfs/dbraw/zinc/52/19/00/634521900.db2.gz GXYASTSEYRIEDP-UHFFFAOYSA-N 0 0 283.799 3.078 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]CC12CCCCC2 ZINC000843054504 626774025 /nfs/dbraw/zinc/77/40/25/626774025.db2.gz OPEOUMDJGNDADD-UHFFFAOYSA-N 0 0 294.826 3.154 20 10 CGCDRN CSc1cc(C)ccc1CNC(=O)C1=CC(=O)CS1 ZINC000757426272 626776502 /nfs/dbraw/zinc/77/65/02/626776502.db2.gz RQBPZUBSAXTYRX-UHFFFAOYSA-N 0 0 293.413 3.414 20 10 CGCDRN CC(C)CCc1noc(COc2ccc(N(C)C)cc2)n1 ZINC000757701757 626802619 /nfs/dbraw/zinc/80/26/19/626802619.db2.gz CLLNHSLHRXOLEH-UHFFFAOYSA-N 0 0 289.379 3.303 20 10 CGCDRN CCc1c(NC(=O)C2=CC(=O)CS2)cnn1CC(C)C ZINC000757920647 626814438 /nfs/dbraw/zinc/81/44/38/626814438.db2.gz RDNAGXIHOAHDAX-UHFFFAOYSA-N 0 0 293.392 3.121 20 10 CGCDRN CCCN(Cc1ccccc1O)c1nc(C)cc(C)n1 ZINC000758182120 626832333 /nfs/dbraw/zinc/83/23/33/626832333.db2.gz AIWHQZZKUJNWFV-UHFFFAOYSA-N 0 0 271.364 3.216 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2O)C[C@@H]1C ZINC000758431843 626843126 /nfs/dbraw/zinc/84/31/26/626843126.db2.gz LFPJCYKUPIQEPS-MBNYWOFBSA-N 0 0 276.380 3.016 20 10 CGCDRN CCC(C)(C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000758546585 626848887 /nfs/dbraw/zinc/84/88/87/626848887.db2.gz QIOSTRCQGUGXEY-UHFFFAOYSA-N 0 0 295.402 3.127 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(C2CCCCC2)n[nH]1 ZINC000759607534 626908389 /nfs/dbraw/zinc/90/83/89/626908389.db2.gz CXLSFDQJMCQUAK-UHFFFAOYSA-N 0 0 299.374 3.093 20 10 CGCDRN C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000760041124 626938020 /nfs/dbraw/zinc/93/80/20/626938020.db2.gz WFRJDIIMWDRICN-ZCFIWIBFSA-N 0 0 263.234 3.119 20 10 CGCDRN C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC(O)C1 ZINC000761222498 627025932 /nfs/dbraw/zinc/02/59/32/627025932.db2.gz JPBJSPJJXROUCH-UHFFFAOYSA-N 0 0 283.371 3.014 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C(C)C)c2)cc1OC ZINC000761221276 627026362 /nfs/dbraw/zinc/02/63/62/627026362.db2.gz GZOCXCGQXYFYAR-UHFFFAOYSA-N 0 0 289.379 3.118 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(F)=C2CCCC2)c1 ZINC000761980285 627077340 /nfs/dbraw/zinc/07/73/40/627077340.db2.gz AAOLBONZJMIVCF-SNVBAGLBSA-N 0 0 293.338 3.376 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccccc1 ZINC000762340277 627105943 /nfs/dbraw/zinc/10/59/43/627105943.db2.gz ANIBAAGOKXCMOS-UHFFFAOYSA-N 0 0 268.360 3.152 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000762568856 627115875 /nfs/dbraw/zinc/11/58/75/627115875.db2.gz LJDKPFNUAIVIHF-CYBMUJFWSA-N 0 0 295.404 3.018 20 10 CGCDRN Cc1ccccc1NC(=S)NCc1ccc(F)cn1 ZINC000763166341 627143160 /nfs/dbraw/zinc/14/31/60/627143160.db2.gz LLMKOULVOCYARY-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CO/C(=C\c1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000764611718 627214416 /nfs/dbraw/zinc/21/44/16/627214416.db2.gz PYTNNBNDJSSXKM-ATVHPVEESA-N 0 0 297.354 3.038 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)Cc2ccco2)C2CC2)cc1 ZINC000764772946 627222773 /nfs/dbraw/zinc/22/27/73/627222773.db2.gz FTMJBASQFLECRD-UHFFFAOYSA-N 0 0 298.386 3.079 20 10 CGCDRN Cc1ccc(O)c(CN2CCOc3cc(C)ccc32)c1 ZINC000765655241 627265099 /nfs/dbraw/zinc/26/50/99/627265099.db2.gz NJYNTMKZFFKIQE-UHFFFAOYSA-N 0 0 269.344 3.408 20 10 CGCDRN CC(C)=C(C)C(=O)NCc1cccc(Br)c1O ZINC000765751891 627268763 /nfs/dbraw/zinc/26/87/63/627268763.db2.gz TUIUUIPGWNPNBW-UHFFFAOYSA-N 0 0 298.180 3.127 20 10 CGCDRN COCc1ccc(NCc2c(O)cccc2OC)cc1 ZINC000767739762 627433774 /nfs/dbraw/zinc/43/37/74/627433774.db2.gz YTVZGXNOWRGPSZ-UHFFFAOYSA-N 0 0 273.332 3.159 20 10 CGCDRN CC(C)N(Cc1cc2c(cc1O)CCC2)CC(F)F ZINC000767768111 627435667 /nfs/dbraw/zinc/43/56/67/627435667.db2.gz RJYCJQLMYKCPHT-UHFFFAOYSA-N 0 0 269.335 3.356 20 10 CGCDRN CC(C)(C(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000769001719 627514815 /nfs/dbraw/zinc/51/48/15/627514815.db2.gz OFRGKNXNFFVBMO-UHFFFAOYSA-N 0 0 287.334 3.125 20 10 CGCDRN CCOc1ccc(CN(CC(F)F)C(C)C)c(O)c1 ZINC000770356464 627615060 /nfs/dbraw/zinc/61/50/60/627615060.db2.gz WKSNRFQNUHMNQZ-UHFFFAOYSA-N 0 0 273.323 3.266 20 10 CGCDRN CN1C(=O)/C(=C/c2cncc3ccccc23)SC1=S ZINC000772800418 627823889 /nfs/dbraw/zinc/82/38/89/627823889.db2.gz SEKNSSVWKHGGIL-SDQBBNPISA-N 0 0 286.381 3.066 20 10 CGCDRN C[C@H](NC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000772996296 627838679 /nfs/dbraw/zinc/83/86/79/627838679.db2.gz CTVFPIUAPKZNLD-ZDUSSCGKSA-N 0 0 268.360 3.244 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000773000147 627839914 /nfs/dbraw/zinc/83/99/14/627839914.db2.gz NPARAAWLCXGMHH-DZGCQCFKSA-N 0 0 272.392 3.286 20 10 CGCDRN C[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc(N(C)C)cc1 ZINC000773009628 627841491 /nfs/dbraw/zinc/84/14/91/627841491.db2.gz LFIVHRPNJFBINM-LLVKDONJSA-N 0 0 299.374 3.109 20 10 CGCDRN CCC[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773019553 627842981 /nfs/dbraw/zinc/84/29/81/627842981.db2.gz YXJRUAFSYRQXKL-QWHCGFSZSA-N 0 0 262.397 3.366 20 10 CGCDRN CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773019554 627843118 /nfs/dbraw/zinc/84/31/18/627843118.db2.gz YXJRUAFSYRQXKL-STQMWFEESA-N 0 0 262.397 3.366 20 10 CGCDRN CS[C@@H](C)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773018455 627843328 /nfs/dbraw/zinc/84/33/28/627843328.db2.gz LWYDFYVTWCQMPZ-QWHCGFSZSA-N 0 0 294.464 3.462 20 10 CGCDRN C[C@@H](NC(=O)NCC1(C)CCC1)c1ccc(N(C)C)cc1 ZINC000773359995 627875218 /nfs/dbraw/zinc/87/52/18/627875218.db2.gz BCNXXNIBKFWJLQ-CYBMUJFWSA-N 0 0 289.423 3.303 20 10 CGCDRN CC[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773626306 627901648 /nfs/dbraw/zinc/90/16/48/627901648.db2.gz MZVLNQYJNUWBRC-KBPBESRZSA-N 0 0 289.423 3.255 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000774263543 627970001 /nfs/dbraw/zinc/97/00/01/627970001.db2.gz AQEUFXYLQWUHQB-MRVPVSSYSA-N 0 0 292.206 3.368 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(O)c1 ZINC000775408172 628091953 /nfs/dbraw/zinc/09/19/53/628091953.db2.gz XKEIRIOQRQCHBI-CYBMUJFWSA-N 0 0 298.386 3.258 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1cc(Cl)ccc1O ZINC000775492290 628100068 /nfs/dbraw/zinc/10/00/68/628100068.db2.gz NBXHURXQTMWSHP-BXUZGUMPSA-N 0 0 293.798 3.372 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccnn1C)c1cc(Cl)ccc1O ZINC000775493245 628100202 /nfs/dbraw/zinc/10/02/02/628100202.db2.gz WBIFJMQHAIKZDP-ZDUSSCGKSA-N 0 0 279.771 3.020 20 10 CGCDRN CC[C@H](Nc1cccc2c1oc(=O)n2C)c1ccccc1O ZINC000775541229 628104815 /nfs/dbraw/zinc/10/48/15/628104815.db2.gz 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/nfs/dbraw/zinc/51/65/67/628516567.db2.gz UBNCHVVPESUPAC-OCCSQVGLSA-N 0 0 281.371 3.476 20 10 CGCDRN Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](C)C2)c(O)c1O ZINC000780856632 628520678 /nfs/dbraw/zinc/52/06/78/628520678.db2.gz RHHJVPVBOGRXLE-LBPRGKRZSA-N 0 0 297.354 3.166 20 10 CGCDRN Cc1ccc(C(=O)N(C2CC2)C2CCCCC2)c(O)c1O ZINC000780906067 628523511 /nfs/dbraw/zinc/52/35/11/628523511.db2.gz CUUUBNVGVGLDIY-UHFFFAOYSA-N 0 0 289.375 3.344 20 10 CGCDRN Cc1ccc(C(=O)NC(C)(C)c2ccccc2)c(O)c1O ZINC000780914122 628524125 /nfs/dbraw/zinc/52/41/25/628524125.db2.gz FYNCDPXQWDSRBW-UHFFFAOYSA-N 0 0 285.343 3.071 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCCC2)c1 ZINC000781624581 628580890 /nfs/dbraw/zinc/58/08/90/628580890.db2.gz KVRAJGYKKOXXMI-UHFFFAOYSA-N 0 0 270.170 3.059 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000782013235 628610096 /nfs/dbraw/zinc/61/00/96/628610096.db2.gz HSMVGMMAVPMDRT-RYUDHWBXSA-N 0 0 291.391 3.404 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccccc1OC ZINC000783894411 628756186 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ZINC000875653861 634718585 /nfs/dbraw/zinc/71/85/85/634718585.db2.gz CSERZCFCRAKVMD-ZDUSSCGKSA-N 0 0 296.370 3.487 20 10 CGCDRN CSc1ccc(C)c(NC(=O)c2cccc(O)c2O)c1 ZINC000790915775 629240924 /nfs/dbraw/zinc/24/09/24/629240924.db2.gz MHCLBYNJHOQJPH-UHFFFAOYSA-N 0 0 289.356 3.380 20 10 CGCDRN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790988879 629246964 /nfs/dbraw/zinc/24/69/64/629246964.db2.gz FQRRWMPBVTVIRT-RNCFNFMXSA-N 0 0 287.762 3.089 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)C(F)F)cc1 ZINC000791519837 629285007 /nfs/dbraw/zinc/28/50/07/629285007.db2.gz BUFIMOXAYMBOKL-UHFFFAOYSA-N 0 0 298.377 3.440 20 10 CGCDRN CN(C)c1cc(F)c(CN2CCCOC(C)(C)C2)cc1F ZINC000862246787 629329477 /nfs/dbraw/zinc/32/94/77/629329477.db2.gz NGQUKWVTQWOGRU-UHFFFAOYSA-N 0 0 298.377 3.032 20 10 CGCDRN COC(C)(C)C[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792168760 629343832 /nfs/dbraw/zinc/34/38/32/629343832.db2.gz FQNZVLARGMCSRM-UHFFFAOYSA-N 0 0 275.751 3.042 20 10 CGCDRN COC(=O)c1ccc2c(c1)CCN2Cc1cccc(C)c1O ZINC000792175472 629344805 /nfs/dbraw/zinc/34/48/05/629344805.db2.gz UVCIYUXCCIUIEY-UHFFFAOYSA-N 0 0 297.354 3.050 20 10 CGCDRN COC1(CN(C)c2ccc3c(c2)OCO3)CCCCC1 ZINC000792174695 629344920 /nfs/dbraw/zinc/34/49/20/629344920.db2.gz ZQRVGLZRQXQABC-UHFFFAOYSA-N 0 0 277.364 3.201 20 10 CGCDRN CCCN(Cc1cc(F)ccc1O)[C@@H](CC)C(=O)OCC ZINC000792189217 629346538 /nfs/dbraw/zinc/34/65/38/629346538.db2.gz RNKYCTHPQOSXJH-AWEZNQCLSA-N 0 0 297.370 3.085 20 10 CGCDRN Cc1nc2ccc(C(=O)N(C)Cc3ccccc3O)cc2o1 ZINC000792227102 629350377 /nfs/dbraw/zinc/35/03/77/629350377.db2.gz WYIIDVFXAAHQIS-UHFFFAOYSA-N 0 0 296.326 3.114 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccns1 ZINC000862539713 629396048 /nfs/dbraw/zinc/39/60/48/629396048.db2.gz QNRFZCXJABINRF-ZETCQYMHSA-N 0 0 286.759 3.492 20 10 CGCDRN Cc1cc(CC(=O)N2C[C@@H]3C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000862555049 629402732 /nfs/dbraw/zinc/40/27/32/629402732.db2.gz HFUVPAPWFIGRIU-CALCHBBNSA-N 0 0 294.398 3.115 20 10 CGCDRN CC1(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000793198435 629426602 /nfs/dbraw/zinc/42/66/02/629426602.db2.gz JCPYUDDRKNGHAJ-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2(C)CCCCC2)c1 ZINC000862757165 629429714 /nfs/dbraw/zinc/42/97/14/629429714.db2.gz JTROPMMHNCXYSX-UHFFFAOYSA-N 0 0 261.365 3.287 20 10 CGCDRN Cc1nc(C(C)C)oc1C(=O)NCc1cc(C)ccc1O ZINC000862755354 629429793 /nfs/dbraw/zinc/42/97/93/629429793.db2.gz FNTQMKWCFIXYJX-UHFFFAOYSA-N 0 0 288.347 3.050 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](c2cccnc2)C(C)C)c1 ZINC000862756079 629430224 /nfs/dbraw/zinc/43/02/24/629430224.db2.gz PHUSCAIJYMFDKQ-KRWDZBQOSA-N 0 0 298.386 3.152 20 10 CGCDRN CCC[C@@H](C(=O)NCc1cc(C)ccc1O)C(C)C ZINC000862757811 629430687 /nfs/dbraw/zinc/43/06/87/629430687.db2.gz DYADUDAPGQFYIA-CQSZACIVSA-N 0 0 263.381 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2cccs2)c1 ZINC000862759499 629430854 /nfs/dbraw/zinc/43/08/54/629430854.db2.gz DYNCNEDMWWGEIG-LLVKDONJSA-N 0 0 275.373 3.182 20 10 CGCDRN CC[C@H](Nc1ccccc1)C(=O)NCc1cc(C)ccc1O ZINC000862758755 629430860 /nfs/dbraw/zinc/43/08/60/629430860.db2.gz JUVZCENMYITUGR-INIZCTEOSA-N 0 0 298.386 3.208 20 10 CGCDRN COc1cccc([C@@H](C)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862758617 629430869 /nfs/dbraw/zinc/43/08/69/629430869.db2.gz DTANOWWAZAXDFL-CYBMUJFWSA-N 0 0 299.370 3.129 20 10 CGCDRN CC[C@H](OC1CCCC1)C(=O)NCc1cc(C)ccc1O ZINC000862760978 629431963 /nfs/dbraw/zinc/43/19/63/629431963.db2.gz YPXLBXARHXZLDY-INIZCTEOSA-N 0 0 291.391 3.055 20 10 CGCDRN CCNC(=O)N(C)c1cccc(NCc2ccccc2O)c1 ZINC000793318004 629442565 /nfs/dbraw/zinc/44/25/65/629442565.db2.gz NFFGRXMSAHZVRT-UHFFFAOYSA-N 0 0 299.374 3.170 20 10 CGCDRN C[C@@H]1CC=C(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000836240609 634738535 /nfs/dbraw/zinc/73/85/35/634738535.db2.gz VYRFINRUPKIBKI-CYBMUJFWSA-N 0 0 272.392 3.115 20 10 CGCDRN COc1ccc(CNC(=O)CCCC(C)(C)C)c(O)c1 ZINC000794378086 629538579 /nfs/dbraw/zinc/53/85/79/629538579.db2.gz BXZJYBVPAYJMFQ-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN COc1ccc(CNc2ncnc3oc(C)c(C)c32)c(O)c1 ZINC000794864389 629590586 /nfs/dbraw/zinc/59/05/86/629590586.db2.gz KVPFTLYQYFFLPI-UHFFFAOYSA-N 0 0 299.330 3.166 20 10 CGCDRN COc1ccc(CNc2ccc(C(F)(F)F)cn2)c(O)c1 ZINC000795288247 629657276 /nfs/dbraw/zinc/65/72/76/629657276.db2.gz AZKMUYUNMPTKLA-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN C[C@H](Nc1cccc(-n2nccn2)c1)c1cc(F)ccc1O ZINC000864023866 629729973 /nfs/dbraw/zinc/72/99/73/629729973.db2.gz SOOTUMRMIVKMBN-NSHDSACASA-N 0 0 298.321 3.285 20 10 CGCDRN CC1(C)[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1(F)F ZINC000864052222 629747275 /nfs/dbraw/zinc/74/72/75/629747275.db2.gz FCDGHUDCFBVWTE-SECBINFHSA-N 0 0 277.261 3.051 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000796696082 629815820 /nfs/dbraw/zinc/81/58/20/629815820.db2.gz RXKZHPIVPRFXDB-CJNGLKHVSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000796698192 629816956 /nfs/dbraw/zinc/81/69/56/629816956.db2.gz WQUUWPRRAMDZJD-CZUORRHYSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000796703402 629817338 /nfs/dbraw/zinc/81/73/38/629817338.db2.gz UINOOERPLQRXSF-CZUORRHYSA-N 0 0 294.414 3.446 20 10 CGCDRN C[C@H]1CC=C(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000836531047 634774662 /nfs/dbraw/zinc/77/46/62/634774662.db2.gz AMEWTORQEYZNDJ-LBPRGKRZSA-N 0 0 290.382 3.254 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@]23C[C@H]2CCCC3)cc1F ZINC000865051879 629999628 /nfs/dbraw/zinc/99/96/28/629999628.db2.gz XPYTZTZGNFBENM-CXAGYDPISA-N 0 0 290.382 3.088 20 10 CGCDRN Cc1cc(C(=O)NCCF)c(C)n1-c1cccc(C)c1 ZINC000798059408 630018577 /nfs/dbraw/zinc/01/85/77/630018577.db2.gz KIKAFTGQBKYVJU-UHFFFAOYSA-N 0 0 274.339 3.102 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179639 630030716 /nfs/dbraw/zinc/03/07/16/630030716.db2.gz IJTNSHFGUTXJHY-VHSXEESVSA-N 0 0 289.297 3.241 20 10 CGCDRN CC(C)c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865289542 630054554 /nfs/dbraw/zinc/05/45/54/630054554.db2.gz PANQXRZYNUNSEM-UHFFFAOYSA-N 0 0 296.321 3.149 20 10 CGCDRN CC(C)C[C@H](C)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000798638733 630078782 /nfs/dbraw/zinc/07/87/82/630078782.db2.gz ZAXCSSYQKDEURF-HWPRWLFBSA-N 0 0 278.348 3.336 20 10 CGCDRN CC(=O)c1cccc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000865483554 630146691 /nfs/dbraw/zinc/14/66/91/630146691.db2.gz UHUDRRNGSICLOL-UHFFFAOYSA-N 0 0 287.338 3.101 20 10 CGCDRN Cc1cc(F)cc2c1CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000800698891 630295768 /nfs/dbraw/zinc/29/57/68/630295768.db2.gz MPRVOVJQKOXGPM-UHFFFAOYSA-N 0 0 291.347 3.100 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1nnc(C)c(C)n1 ZINC000800886136 630308864 /nfs/dbraw/zinc/30/88/64/630308864.db2.gz BWYHYTFIXCSEBU-UHFFFAOYSA-N 0 0 286.379 3.001 20 10 CGCDRN C[C@@H](NC(=O)c1occ2c1CCC2)c1ccc(N(C)C)cc1 ZINC000803121867 630449096 /nfs/dbraw/zinc/44/90/96/630449096.db2.gz VBSYYUPSEQWJDF-GFCCVEGCSA-N 0 0 298.386 3.325 20 10 CGCDRN Oc1ccccc1CNc1ccnc2cc(F)cnc21 ZINC000804398177 630525426 /nfs/dbraw/zinc/52/54/26/630525426.db2.gz CIYBMKKGISVKMN-UHFFFAOYSA-N 0 0 269.279 3.087 20 10 CGCDRN CN(Cc1ccccc1O)c1ccnc(C(F)(F)F)c1 ZINC000804577600 630538253 /nfs/dbraw/zinc/53/82/53/630538253.db2.gz FGPOEXLBTPFFJC-UHFFFAOYSA-N 0 0 282.265 3.442 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCCC1)c1cccc(Cl)c1[O-] ZINC000806128062 630545389 /nfs/dbraw/zinc/54/53/89/630545389.db2.gz NBXLKMQMLHYJDJ-AWEZNQCLSA-N 0 0 282.815 3.182 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806133407 630546362 /nfs/dbraw/zinc/54/63/62/630546362.db2.gz MOZYOJUBWSNSCL-BXUZGUMPSA-N 0 0 282.815 3.181 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(Cl)c1[O-] ZINC000806152200 630550198 /nfs/dbraw/zinc/55/01/98/630550198.db2.gz VDMZJRRDZRWXCR-CABZTGNLSA-N 0 0 271.788 3.246 20 10 CGCDRN CSCc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000807728429 630598248 /nfs/dbraw/zinc/59/82/48/630598248.db2.gz PDAZPCLHBKGCOF-UHFFFAOYSA-N 0 0 293.413 3.247 20 10 CGCDRN CC(=O)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000808011742 630618169 /nfs/dbraw/zinc/61/81/69/630618169.db2.gz BNBRXRZFFHVFEQ-UHFFFAOYSA-N 0 0 281.522 3.184 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCCCCCC1 ZINC000836924174 634829762 /nfs/dbraw/zinc/82/97/62/634829762.db2.gz AZSAIJLPAIBADM-NTMALXAHSA-N 0 0 289.375 3.294 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000808725645 630671242 /nfs/dbraw/zinc/67/12/42/630671242.db2.gz ZMZVGDALINKYGZ-JTQLQIEISA-N 0 0 287.350 3.384 20 10 CGCDRN CCN(Cc1ccns1)c1ccc(OC)c(OC)c1 ZINC000878217641 635418671 /nfs/dbraw/zinc/41/86/71/635418671.db2.gz CDPBAORMCMDPRA-UHFFFAOYSA-N 0 0 278.377 3.187 20 10 CGCDRN CN(C)c1ccc(OCc2nc(C3CCCC3)no2)cc1 ZINC000809999975 630826097 /nfs/dbraw/zinc/82/60/97/630826097.db2.gz CGNKPZYAGPBKPD-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN COc1cccc(CNc2cc(F)c(F)cc2OC)c1O ZINC000810165101 630848728 /nfs/dbraw/zinc/84/87/28/630848728.db2.gz WRQBFSLJFUHTFO-UHFFFAOYSA-N 0 0 295.285 3.300 20 10 CGCDRN CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810244267 630857499 /nfs/dbraw/zinc/85/74/99/630857499.db2.gz BODJNVHYYRIPOQ-WDEREUQCSA-N 0 0 286.366 3.050 20 10 CGCDRN CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000810245161 630859260 /nfs/dbraw/zinc/85/92/60/630859260.db2.gz STDYZDNIGDMFJN-OLZOCXBDSA-N 0 0 282.403 3.302 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)c1ccc(F)cc1[O-] ZINC000810253734 630859844 /nfs/dbraw/zinc/85/98/44/630859844.db2.gz BNCOQLRDHZMPNN-IUODEOHRSA-N 0 0 282.403 3.301 20 10 CGCDRN C=Cn1cc(CN2CCCCc3cc(OC)ccc32)cn1 ZINC000811508596 631078145 /nfs/dbraw/zinc/07/81/45/631078145.db2.gz YOYBUZUGYVLBNR-UHFFFAOYSA-N 0 0 283.375 3.335 20 10 CGCDRN OCc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000127276469 635597666 /nfs/dbraw/zinc/59/76/66/635597666.db2.gz XORMXKAHLAQCBK-UHFFFAOYSA-N 0 0 263.724 3.150 20 10 CGCDRN CC[C@@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840238567 631127242 /nfs/dbraw/zinc/12/72/42/631127242.db2.gz NLYYZZHJQOCXOR-KGLIPLIRSA-N 0 0 291.439 3.090 20 10 CGCDRN COCC1(COc2ccc(N3CCCC3)cc2)CCC1 ZINC000812305085 631236514 /nfs/dbraw/zinc/23/65/14/631236514.db2.gz YJIOZVPTQPDKNX-UHFFFAOYSA-N 0 0 275.392 3.482 20 10 CGCDRN CCC1(C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000813142554 631372199 /nfs/dbraw/zinc/37/21/99/631372199.db2.gz JFLGYOGKTUBLPV-ZDUSSCGKSA-N 0 0 289.423 3.255 20 10 CGCDRN CC[C@@H]1CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000813719995 631455784 /nfs/dbraw/zinc/45/57/84/631455784.db2.gz QJOLOTYAIOFISS-TZMCWYRMSA-N 0 0 275.396 3.008 20 10 CGCDRN CCC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000816513082 631997996 /nfs/dbraw/zinc/99/79/96/631997996.db2.gz GCYSYANFJMNSOW-LLVKDONJSA-N 0 0 287.762 3.186 20 10 CGCDRN CC(C)OCCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816514247 632000248 /nfs/dbraw/zinc/00/02/48/632000248.db2.gz RCGDNPCFTSZKNM-UHFFFAOYSA-N 0 0 289.778 3.432 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816519989 632001550 /nfs/dbraw/zinc/00/15/50/632001550.db2.gz CBKIAPARQRZDEF-BDAKNGLRSA-N 0 0 257.736 3.415 20 10 CGCDRN OCc1ccccc1NCc1cc(Cl)c(F)cc1O ZINC000816524997 632003823 /nfs/dbraw/zinc/00/38/23/632003823.db2.gz ZXFQXDXNYBUFNX-UHFFFAOYSA-N 0 0 281.714 3.289 20 10 CGCDRN C[N@H+](CCC1CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816521608 632003911 /nfs/dbraw/zinc/00/39/11/632003911.db2.gz UWSPUUMCYNPWGL-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccnc1 ZINC000816531288 632004454 /nfs/dbraw/zinc/00/44/54/632004454.db2.gz MLWRFFJQWSLGTO-SECBINFHSA-N 0 0 280.730 3.431 20 10 CGCDRN COc1ccc(CNC(=O)C(C)(C)C(C)(C)C)c(O)c1 ZINC000816550103 632009344 /nfs/dbraw/zinc/00/93/44/632009344.db2.gz ILBIKYBESQUADK-UHFFFAOYSA-N 0 0 279.380 3.089 20 10 CGCDRN COc1ccc(N(C)Cc2c(F)ccc(O)c2F)cc1F ZINC000816566119 632015318 /nfs/dbraw/zinc/01/53/18/632015318.db2.gz LSSHZLJVIPWCQU-UHFFFAOYSA-N 0 0 297.276 3.455 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2nn(C)cc2Cl)cc1 ZINC000817276305 632113102 /nfs/dbraw/zinc/11/31/02/632113102.db2.gz YQPVDRHEJLUMLB-UHFFFAOYSA-N 0 0 293.798 3.497 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)ccc21 ZINC000817430468 632153818 /nfs/dbraw/zinc/15/38/18/632153818.db2.gz GUNNPVQTHXEJDM-DJIMGWMZSA-N 0 0 298.430 3.121 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC12CC2 ZINC000817525740 632180838 /nfs/dbraw/zinc/18/08/38/632180838.db2.gz UNLUMNDUJZUADK-INIZCTEOSA-N 0 0 284.403 3.093 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCCCO3)cc12 ZINC000817761435 632223515 /nfs/dbraw/zinc/22/35/15/632223515.db2.gz MSUXCZCICUJQQO-MRXNPFEDSA-N 0 0 287.359 3.270 20 10 CGCDRN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(F)(F)F ZINC000818229073 632300351 /nfs/dbraw/zinc/30/03/51/632300351.db2.gz KVUNSMUKXWAGRG-ZWNMCFTASA-N 0 0 272.314 3.306 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000818355339 632313099 /nfs/dbraw/zinc/31/30/99/632313099.db2.gz CWFLGFOGDVHOEO-BIGNPOOSSA-N 0 0 276.336 3.140 20 10 CGCDRN O=C(Nc1ccc(C2CCC2)cn1)c1cccc(O)c1O ZINC000819025279 632366961 /nfs/dbraw/zinc/36/69/61/632366961.db2.gz HVTITAOFZALDQL-UHFFFAOYSA-N 0 0 284.315 3.013 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CC(C)(C)C[C@H]2C)cc1OC ZINC000840376236 632399871 /nfs/dbraw/zinc/39/98/71/632399871.db2.gz ZNLCNAPDLOETPO-SNVBAGLBSA-N 0 0 294.351 3.237 20 10 CGCDRN C=C=CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000820205576 632589173 /nfs/dbraw/zinc/58/91/73/632589173.db2.gz ZFTLCJGTANIYRI-UHFFFAOYSA-N 0 0 272.373 3.227 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C)CC(F)(F)C2)c1 ZINC000821065413 632721175 /nfs/dbraw/zinc/72/11/75/632721175.db2.gz NQKWAORLEXUKMI-VIFPVBQESA-N 0 0 299.317 3.013 20 10 CGCDRN CC(C)CCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000822227155 632888110 /nfs/dbraw/zinc/88/81/10/632888110.db2.gz XITOGXPHUGVODW-UHFFFAOYSA-N 0 0 262.397 3.195 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc3c2OCCCO3)c1 ZINC000865852769 632918134 /nfs/dbraw/zinc/91/81/34/632918134.db2.gz MOYKUZVDPGIUHG-UHFFFAOYSA-N 0 0 285.343 3.474 20 10 CGCDRN CCC[C@H](O)CCCSc1ncc([N+](=O)[O-])s1 ZINC000866034394 632982187 /nfs/dbraw/zinc/98/21/87/632982187.db2.gz XFNATASLPLIJAT-QMMMGPOBSA-N 0 0 276.383 3.085 20 10 CGCDRN CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000822595487 632982599 /nfs/dbraw/zinc/98/25/99/632982599.db2.gz GPKFSGCJHHFTBT-GDBMZVCRSA-N 0 0 274.408 3.195 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)CC=CCC2)cc1F ZINC000822863539 633031651 /nfs/dbraw/zinc/03/16/51/633031651.db2.gz QGGAXOVVRUZIAP-QGZVFWFLSA-N 0 0 290.382 3.254 20 10 CGCDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)C(C)C ZINC000823010716 633049264 /nfs/dbraw/zinc/04/92/64/633049264.db2.gz ZDIKKSNDZFZEJK-LLVKDONJSA-N 0 0 290.367 3.356 20 10 CGCDRN Cc1csc(C(=O)NCCCSc2nccs2)c1 ZINC000823298514 633088235 /nfs/dbraw/zinc/08/82/35/633088235.db2.gz VEPKKHHEOAVTDT-UHFFFAOYSA-N 0 0 298.458 3.425 20 10 CGCDRN CCC[C@H](CCO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000866415497 633128344 /nfs/dbraw/zinc/12/83/44/633128344.db2.gz WOWXMMPLHSDAAF-TZMCWYRMSA-N 0 0 269.360 3.123 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000866449893 633139694 /nfs/dbraw/zinc/13/96/94/633139694.db2.gz LAHBUEIQGBIFOH-DDTOSNHZSA-N 0 0 295.354 3.110 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cnn3c2CCCC3)c(O)c1 ZINC000866460080 633144965 /nfs/dbraw/zinc/14/49/65/633144965.db2.gz DOBQFUVTSWHBFY-LBPRGKRZSA-N 0 0 271.364 3.407 20 10 CGCDRN C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(F)cc1[O-] ZINC000866566057 633197399 /nfs/dbraw/zinc/19/73/99/633197399.db2.gz XEWAVJHSFLCOTE-QMMMGPOBSA-N 0 0 299.296 3.053 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccncc2F)cc1 ZINC000824130078 633200564 /nfs/dbraw/zinc/20/05/64/633200564.db2.gz FMXYFSKDZGZBKN-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(F)cc1[O-] ZINC000866615970 633215556 /nfs/dbraw/zinc/21/55/56/633215556.db2.gz YAHFZOMRMNWTSS-ZWNOBZJWSA-N 0 0 277.343 3.067 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)SC ZINC000824234325 633215936 /nfs/dbraw/zinc/21/59/36/633215936.db2.gz IFJZCQCXGHBPFJ-UHFFFAOYSA-N 0 0 294.464 3.243 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccccc1O ZINC000866638067 633226486 /nfs/dbraw/zinc/22/64/86/633226486.db2.gz NDTCTSYUJUSSNP-CVEARBPZSA-N 0 0 277.408 3.374 20 10 CGCDRN c1cc(N2CCCCC2)ccc1CN(C1CC1)C1COC1 ZINC000824472207 633249488 /nfs/dbraw/zinc/24/94/88/633249488.db2.gz NKZBGFIOMAVRBS-UHFFFAOYSA-N 0 0 286.419 3.040 20 10 CGCDRN COc1ccc(N(C)CCCCCn2cccn2)cc1F ZINC000121725522 633257084 /nfs/dbraw/zinc/25/70/84/633257084.db2.gz VOIYNJBDIOJJDX-UHFFFAOYSA-N 0 0 291.370 3.338 20 10 CGCDRN C[C@@H](NC(=O)OCCC(F)(F)F)c1ccccc1O ZINC000867835317 633271440 /nfs/dbraw/zinc/27/14/40/633271440.db2.gz WROURSFBEOLQGG-MRVPVSSYSA-N 0 0 277.242 3.132 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715795 633278812 /nfs/dbraw/zinc/27/88/12/633278812.db2.gz NWIPOUMOOVIUAD-CFVMTHIKSA-N 0 0 295.810 3.171 20 10 CGCDRN CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868139796 633298386 /nfs/dbraw/zinc/29/83/86/633298386.db2.gz FNEJIRQPPBXWMD-TUAOUCFPSA-N 0 0 264.369 3.187 20 10 CGCDRN C[C@H](NC(=O)NCCSC(C)(C)C)c1ccccc1O ZINC000868201355 633305247 /nfs/dbraw/zinc/30/52/47/633305247.db2.gz VZXRKMSOHSIHJG-NSHDSACASA-N 0 0 296.436 3.284 20 10 CGCDRN CCCC1(CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868399665 633320556 /nfs/dbraw/zinc/32/05/56/633320556.db2.gz HNTVPSRMMUFRBJ-GFCCVEGCSA-N 0 0 276.380 3.333 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCC(C)(C)C1)c1ccccc1O ZINC000868467940 633327307 /nfs/dbraw/zinc/32/73/07/633327307.db2.gz RIUFZONDKPNCSS-RYUDHWBXSA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@@H](NC(=O)N[C@H](C1CC1)C1CCC1)c1ccccc1O ZINC000868694783 633352082 /nfs/dbraw/zinc/35/20/82/633352082.db2.gz WXZFJJKZUHZULN-BZNIZROVSA-N 0 0 288.391 3.331 20 10 CGCDRN C[C@H](NC(=O)N[C@@H](C1CC1)C1CCC1)c1ccccc1O ZINC000868694784 633352228 /nfs/dbraw/zinc/35/22/28/633352228.db2.gz WXZFJJKZUHZULN-MEDUHNTESA-N 0 0 288.391 3.331 20 10 CGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868698494 633353310 /nfs/dbraw/zinc/35/33/10/633353310.db2.gz HXQQDZGRBNACLK-XFJVYGCCSA-N 0 0 276.380 3.187 20 10 CGCDRN CCc1cccc2c1N(C(=O)/C=C(/C)c1cnccn1)CC2 ZINC000825511410 633359736 /nfs/dbraw/zinc/35/97/36/633359736.db2.gz SLJZDNPQBLEVCW-QBFSEMIESA-N 0 0 293.370 3.032 20 10 CGCDRN CC[C@H](C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868765802 633360124 /nfs/dbraw/zinc/36/01/24/633360124.db2.gz JIAXUSQZSJHMME-NWDGAFQWSA-N 0 0 264.369 3.189 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCCC12CC2)c1ccccc1O ZINC000868848606 633371697 /nfs/dbraw/zinc/37/16/97/633371697.db2.gz XWNIGHMBJZCXLE-SMDDNHRTSA-N 0 0 274.364 3.085 20 10 CGCDRN Cc1sccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000825874179 633385634 /nfs/dbraw/zinc/38/56/34/633385634.db2.gz VEVGNLNGNLPOFK-UHFFFAOYSA-N 0 0 288.416 3.361 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CC2CCC2)c1 ZINC000868984239 633387764 /nfs/dbraw/zinc/38/77/64/633387764.db2.gz VZROWBDHYQIECO-GFCCVEGCSA-N 0 0 276.380 3.079 20 10 CGCDRN CC/C(C)=C/C(=O)NCc1ccc(N(C)C)cc1C ZINC000825980383 633393937 /nfs/dbraw/zinc/39/39/37/633393937.db2.gz BCGIPJMAXIZJJA-FMIVXFBMSA-N 0 0 260.381 3.034 20 10 CGCDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1c(O)ccc2c1CCCC2 ZINC000826137624 633406989 /nfs/dbraw/zinc/40/69/89/633406989.db2.gz VBLSOAGXMJFTGQ-OFQRWUPVSA-N 0 0 299.414 3.323 20 10 CGCDRN C[C@@]1(C2CC2)CN(Cc2c(O)cccc2Cl)CCO1 ZINC000826877185 633439937 /nfs/dbraw/zinc/43/99/37/633439937.db2.gz CEMCZLOKUXUFIM-HNNXBMFYSA-N 0 0 281.783 3.047 20 10 CGCDRN CCOc1ccc(O)c(CN(C)c2cccc(O)c2)c1 ZINC000827909679 633533884 /nfs/dbraw/zinc/53/38/84/633533884.db2.gz WTQHORCZSFEDCQ-UHFFFAOYSA-N 0 0 273.332 3.133 20 10 CGCDRN Cc1ccccc1NCCC(=O)N[C@H](C)c1ccccc1O ZINC000827923300 633534605 /nfs/dbraw/zinc/53/46/05/633534605.db2.gz OGFSQSZPWLGCIC-CQSZACIVSA-N 0 0 298.386 3.380 20 10 CGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827940379 633537379 /nfs/dbraw/zinc/53/73/79/633537379.db2.gz CJEDFMAGFFYLMG-PVXIVEMSSA-N 0 0 261.365 3.252 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)C1CCOCC1)c1ccccc1O ZINC000827946543 633537971 /nfs/dbraw/zinc/53/79/71/633537971.db2.gz LIYOGIWKDUWROK-GFCCVEGCSA-N 0 0 291.391 3.022 20 10 CGCDRN CC[C@H](CC(F)F)C(=O)N[C@H](C)c1ccccc1O ZINC000827952002 633538887 /nfs/dbraw/zinc/53/88/87/633538887.db2.gz CHWGWSYXJFNBGF-NXEZZACHSA-N 0 0 271.307 3.251 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000827952349 633538903 /nfs/dbraw/zinc/53/89/03/633538903.db2.gz OWYPJHHEWXVYHX-JHJVBQTASA-N 0 0 261.365 3.396 20 10 CGCDRN CSCC1(CC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827952380 633539681 /nfs/dbraw/zinc/53/96/81/633539681.db2.gz QMHDVZCOVMNPSE-LLVKDONJSA-N 0 0 279.405 3.103 20 10 CGCDRN CC[C@@H](CC(F)F)C(=O)N[C@@H](C)c1ccccc1O ZINC000827959604 633540133 /nfs/dbraw/zinc/54/01/33/633540133.db2.gz CHWGWSYXJFNBGF-UWVGGRQHSA-N 0 0 271.307 3.251 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1ccccc1O ZINC000827957618 633540488 /nfs/dbraw/zinc/54/04/88/633540488.db2.gz WTPAAWIVARHEGN-NWDGAFQWSA-N 0 0 297.354 3.207 20 10 CGCDRN CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1cccnc1 ZINC000827963992 633542064 /nfs/dbraw/zinc/54/20/64/633542064.db2.gz FURDTFYYRXQDCH-GUYCJALGSA-N 0 0 298.386 3.404 20 10 CGCDRN Cc1noc(C2CC2)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969385 633542789 /nfs/dbraw/zinc/54/27/89/633542789.db2.gz LBKHFLHWSUEOJY-VIFPVBQESA-N 0 0 286.331 3.057 20 10 CGCDRN Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2O)c(C)c1 ZINC000827984903 633545415 /nfs/dbraw/zinc/54/54/15/633545415.db2.gz GHAWRTMDLXIGLT-AWEZNQCLSA-N 0 0 299.370 3.265 20 10 CGCDRN O=C(NC1(c2nccs2)CCCC1)C1=CC(=O)CS1 ZINC000827992231 633546265 /nfs/dbraw/zinc/54/62/65/633546265.db2.gz HNBCJOXECKMROJ-UHFFFAOYSA-N 0 0 294.401 3.110 20 10 CGCDRN C[C@H]1CCC[C@H](C2CN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000829108795 633696223 /nfs/dbraw/zinc/69/62/23/633696223.db2.gz VBKUYSIBULWWDQ-QWRGUYRKSA-N 0 0 279.405 3.352 20 10 CGCDRN O=C(c1conc1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871199957 633722102 /nfs/dbraw/zinc/72/21/02/633722102.db2.gz WOVWWOIUDJEQJU-UHFFFAOYSA-N 0 0 298.342 3.194 20 10 CGCDRN CCS[C@H](C(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000871200502 633723103 /nfs/dbraw/zinc/72/31/03/633723103.db2.gz CVUFOCXVLSBNFT-AWEZNQCLSA-N 0 0 279.405 3.012 20 10 CGCDRN CC(=O)[C@H](C)CCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871204309 633724307 /nfs/dbraw/zinc/72/43/07/633724307.db2.gz XTSLRMIQTFWBPT-GFCCVEGCSA-N 0 0 289.375 3.020 20 10 CGCDRN O=C([C@@H]1CCCC[C@@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871205710 633725548 /nfs/dbraw/zinc/72/55/48/633725548.db2.gz KGFSMWXMYSJVPI-HUUCEWRRSA-N 0 0 285.387 3.451 20 10 CGCDRN O=C([C@@H]1CCCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000871205012 633725719 /nfs/dbraw/zinc/72/57/19/633725719.db2.gz OJLDARFOWSTIDE-SNVBAGLBSA-N 0 0 281.302 3.060 20 10 CGCDRN Cc1ccccc1C[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207689 633726648 /nfs/dbraw/zinc/72/66/48/633726648.db2.gz QWYZAJSBSPKHBO-AWEZNQCLSA-N 0 0 295.382 3.422 20 10 CGCDRN COC(=O)c1cnc(SC2CCCCC2)s1 ZINC000829677630 633764422 /nfs/dbraw/zinc/76/44/22/633764422.db2.gz GCGXWIJNENCIRO-UHFFFAOYSA-N 0 0 257.380 3.355 20 10 CGCDRN O=C(NCc1ccccc1O)C1[C@H]2CCCCCC[C@H]12 ZINC000830527227 633869268 /nfs/dbraw/zinc/86/92/68/633869268.db2.gz XHLDLSJJLCFXPR-KBPBESRZSA-N 0 0 273.376 3.225 20 10 CGCDRN C[C@@H]1Cc2c(ncn2Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000830918591 633897764 /nfs/dbraw/zinc/89/77/64/633897764.db2.gz GCMLVKDJKUHDHM-UONOGXRCSA-N 0 0 283.419 3.368 20 10 CGCDRN CCCOc1ccc(C[NH2+]CC[C@@H](CC)C(=O)[O-])cc1C ZINC000871874303 633906318 /nfs/dbraw/zinc/90/63/18/633906318.db2.gz KODVWNWFNFUKMC-OAHLLOKOSA-N 0 0 293.407 3.374 20 10 CGCDRN C[C@H]1c2ccc(F)cc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000831411712 633955144 /nfs/dbraw/zinc/95/51/44/633955144.db2.gz FZWMNRKHZQNMHX-LBPRGKRZSA-N 0 0 298.361 3.096 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCC[C@@H](F)C2)c1O ZINC000846120519 636147572 /nfs/dbraw/zinc/14/75/72/636147572.db2.gz RFLFPXUHBDIRTO-GFCCVEGCSA-N 0 0 257.736 3.288 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cc(F)cc(F)c1[O-] ZINC000872105433 634026472 /nfs/dbraw/zinc/02/64/72/634026472.db2.gz IWKSXPRIAFBFJI-MWLCHTKSSA-N 0 0 285.334 3.136 20 10 CGCDRN CC1(c2ccccc2)CC(NC(=O)Cc2ccc(N)cc2)C1 ZINC000832158554 634033775 /nfs/dbraw/zinc/03/37/75/634033775.db2.gz ONUBWXIEJCXUNX-UHFFFAOYSA-N 0 0 294.398 3.048 20 10 CGCDRN CCC(C)(C)CCS(=O)(=O)Nc1ccc(O)cc1C ZINC000872353239 634114350 /nfs/dbraw/zinc/11/43/50/634114350.db2.gz BMQYENLCLHCVGX-UHFFFAOYSA-N 0 0 285.409 3.269 20 10 CGCDRN CC[C@H](C)[C@@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000834542046 634178912 /nfs/dbraw/zinc/17/89/12/634178912.db2.gz HTHAPKLJCIRRDI-IMTBSYHQSA-N 0 0 281.299 3.161 20 10 CGCDRN Cc1cc(C)cc(OCCN(C)c2ccc(N)cc2)c1 ZINC000019727632 634219332 /nfs/dbraw/zinc/21/93/32/634219332.db2.gz NXPXCAGNCORFSJ-UHFFFAOYSA-N 0 0 270.376 3.401 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)NCc2ncccc2OC)cc1 ZINC000834905442 634281951 /nfs/dbraw/zinc/28/19/51/634281951.db2.gz HLJISXMMYNZNSJ-CQSZACIVSA-N 0 0 299.418 3.397 20 10 CGCDRN CC1(C)CCCC[C@@H]1CC(=O)NCc1ccc(N)cc1 ZINC000837303328 634883105 /nfs/dbraw/zinc/88/31/05/634883105.db2.gz HGBGESOJPMAHLN-CQSZACIVSA-N 0 0 274.408 3.492 20 10 CGCDRN CC[C@H](CC(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000837317705 634885070 /nfs/dbraw/zinc/88/50/70/634885070.db2.gz UFSXJDZFGIEAJJ-GFCCVEGCSA-N 0 0 284.350 3.050 20 10 CGCDRN COCCOc1ccc(NCc2c(C)cccc2O)cc1 ZINC000876822553 634907720 /nfs/dbraw/zinc/90/77/20/634907720.db2.gz BCNAYYULAUMYDD-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877017997 634951653 /nfs/dbraw/zinc/95/16/53/634951653.db2.gz JOYZDENMUHXPHE-SNVBAGLBSA-N 0 0 293.313 3.097 20 10 CGCDRN CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877024658 634953344 /nfs/dbraw/zinc/95/33/44/634953344.db2.gz KQMOEGBKEDZJNM-JTQLQIEISA-N 0 0 295.333 3.299 20 10 CGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1Cl ZINC000126311903 634959030 /nfs/dbraw/zinc/95/90/30/634959030.db2.gz YKDVPJKQVKQOJI-VIFPVBQESA-N 0 0 291.734 3.242 20 10 CGCDRN Cc1cc(C)cc(CCC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877076263 634973421 /nfs/dbraw/zinc/97/34/21/634973421.db2.gz PCKJFIOBFWFKFL-UHFFFAOYSA-N 0 0 282.387 3.481 20 10 CGCDRN COc1cccc(C(C)(C)C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877077015 634974530 /nfs/dbraw/zinc/97/45/30/634974530.db2.gz UCSHPICHEMSNFG-UHFFFAOYSA-N 0 0 298.386 3.218 20 10 CGCDRN Nc1ccc(CC(=O)N(CC2CC2)c2cccc(F)c2)cc1 ZINC000877131107 634995344 /nfs/dbraw/zinc/99/53/44/634995344.db2.gz VIYLNBNCFVRRAB-UHFFFAOYSA-N 0 0 298.361 3.394 20 10 CGCDRN Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])nc1 ZINC000877469031 635048935 /nfs/dbraw/zinc/04/89/35/635048935.db2.gz PYCRGWFOYFVXDA-UHFFFAOYSA-N 0 0 278.302 3.006 20 10 CGCDRN Cc1ccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC000877471294 635050186 /nfs/dbraw/zinc/05/01/86/635050186.db2.gz UPCFKQOQZYULIC-NSHDSACASA-N 0 0 289.379 3.232 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCCC23CCOCC3)ccc(F)c1F ZINC000877499247 635062230 /nfs/dbraw/zinc/06/22/30/635062230.db2.gz DHOZTTGUPUVOBV-CYBMUJFWSA-N 0 0 297.345 3.109 20 10 CGCDRN Cc1ccc(CN2CCC=C(Br)C2)c(O)c1 ZINC000877500166 635062582 /nfs/dbraw/zinc/06/25/82/635062582.db2.gz CUUHKBZKZGCVMQ-UHFFFAOYSA-N 0 0 282.181 3.185 20 10 CGCDRN Cc1conc1NCc1c(O)cc(C)cc1Cl ZINC000840881719 635073206 /nfs/dbraw/zinc/07/32/06/635073206.db2.gz JAJDTTHNNMKBEP-UHFFFAOYSA-N 0 0 252.701 3.263 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1csnn1)c1ccc(N(C)C)cc1 ZINC000840885338 635074411 /nfs/dbraw/zinc/07/44/11/635074411.db2.gz CCSKNPBBPDCZJY-SMDDNHRTSA-N 0 0 290.436 3.406 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1C)CC(F)(F)F ZINC000840910748 635081255 /nfs/dbraw/zinc/08/12/55/635081255.db2.gz LCEMWLXQDWWQJD-UHFFFAOYSA-N 0 0 274.330 3.445 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CS1 ZINC000840958808 635094030 /nfs/dbraw/zinc/09/40/30/635094030.db2.gz OFOQJRWXSYHJOB-CBAPKCEASA-N 0 0 275.776 3.168 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CS1 ZINC000840959827 635094180 /nfs/dbraw/zinc/09/41/80/635094180.db2.gz ZQRTZQJBBPWNQC-JGVFFNPUSA-N 0 0 275.776 3.168 20 10 CGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)O1 ZINC000840963984 635095273 /nfs/dbraw/zinc/09/52/73/635095273.db2.gz PXVPWXAYTPBWFY-BBBLOLIVSA-N 0 0 287.762 3.088 20 10 CGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1O ZINC000840997011 635101070 /nfs/dbraw/zinc/10/10/70/635101070.db2.gz GUXYAVLNNNZNIA-NSHDSACASA-N 0 0 297.782 3.041 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CC23CCSCC3)ccc(F)c1F ZINC000877595168 635106040 /nfs/dbraw/zinc/10/60/40/635106040.db2.gz UGWLDGUOZVECTL-NSHDSACASA-N 0 0 299.386 3.293 20 10 CGCDRN Nc1ccc(NC[C@@H]2CCOc3ccccc32)cc1 ZINC000841040301 635112036 /nfs/dbraw/zinc/11/20/36/635112036.db2.gz NRGSRSFYYNBNNU-LBPRGKRZSA-N 0 0 254.333 3.247 20 10 CGCDRN Cc1cc(O)c(CNc2cnn3c2CCCC3)cc1Cl ZINC000877692623 635148014 /nfs/dbraw/zinc/14/80/14/635148014.db2.gz LQUHRKGIMNGQTR-UHFFFAOYSA-N 0 0 291.782 3.499 20 10 CGCDRN CCC[C@]1(COC)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841296430 635148477 /nfs/dbraw/zinc/14/84/77/635148477.db2.gz FDQPGCNIXDUYJQ-MRXNPFEDSA-N 0 0 291.395 3.082 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1 ZINC000841297859 635148878 /nfs/dbraw/zinc/14/88/78/635148878.db2.gz JDHSFHHEKHOPAJ-GVDBMIGSSA-N 0 0 293.370 3.119 20 10 CGCDRN C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc(N)cc2)cn1 ZINC000841295961 635148902 /nfs/dbraw/zinc/14/89/02/635148902.db2.gz KZUUZILRIUZREB-SNVBAGLBSA-N 0 0 285.351 3.080 20 10 CGCDRN CC[C@@H](C)n1nc(NC(=O)Nc2ccc(N)cc2)cc1C ZINC000841295840 635148926 /nfs/dbraw/zinc/14/89/26/635148926.db2.gz HIYZKIILZPXSPH-SNVBAGLBSA-N 0 0 287.367 3.389 20 10 CGCDRN Nc1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000841300087 635149389 /nfs/dbraw/zinc/14/93/89/635149389.db2.gz MVWQEXCLZFGLNV-UHFFFAOYSA-N 0 0 259.353 3.208 20 10 CGCDRN CCN(C(=O)Nc1ccc(N)cc1)[C@H]1CCOC(C)(C)C1 ZINC000841298815 635149596 /nfs/dbraw/zinc/14/95/96/635149596.db2.gz HOKFLXVOOXMIQO-AWEZNQCLSA-N 0 0 291.395 3.080 20 10 CGCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@H]1c1cccnc1 ZINC000841299717 635149752 /nfs/dbraw/zinc/14/97/52/635149752.db2.gz MUVQOUUVKNWGEZ-HNNXBMFYSA-N 0 0 296.374 3.279 20 10 CGCDRN C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841743658 635222896 /nfs/dbraw/zinc/22/28/96/635222896.db2.gz JFNHFCYCRBHIMJ-LLVKDONJSA-N 0 0 294.826 3.323 20 10 CGCDRN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743939 635223045 /nfs/dbraw/zinc/22/30/45/635223045.db2.gz DLWKSTNHGBJIAX-QWRGUYRKSA-N 0 0 298.814 3.001 20 10 CGCDRN CC1(C)CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841857489 635243642 /nfs/dbraw/zinc/24/36/42/635243642.db2.gz ZZYPJTAWURFMJT-OAHLLOKOSA-N 0 0 289.423 3.079 20 10 CGCDRN CC(C)C[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956556 635252253 /nfs/dbraw/zinc/25/22/53/635252253.db2.gz HBBJQMWFVMUNRW-INIZCTEOSA-N 0 0 289.423 3.031 20 10 CGCDRN COc1ccc(N(CC(C)=O)Cc2cccs2)cc1 ZINC000878233699 635424909 /nfs/dbraw/zinc/42/49/09/635424909.db2.gz WMLMGSWJAASDLR-UHFFFAOYSA-N 0 0 275.373 3.352 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)nnn3C)c(O)c1 ZINC000842902200 635511183 /nfs/dbraw/zinc/51/11/83/635511183.db2.gz UKFLWXYYPGZBQL-LLVKDONJSA-N 0 0 282.347 3.155 20 10 CGCDRN CC(C)(C)c1cc(-c2nc(Cc3ccc(N)cc3)no2)no1 ZINC000843159003 635588726 /nfs/dbraw/zinc/58/87/26/635588726.db2.gz KKYFJUUGFSMBMD-UHFFFAOYSA-N 0 0 298.346 3.195 20 10 CGCDRN CCC1(c2nc(Cc3ccc(N)cc3)no2)CCC1 ZINC000843159272 635589442 /nfs/dbraw/zinc/58/94/42/635589442.db2.gz OCBFHTWCMTYSJE-UHFFFAOYSA-N 0 0 257.337 3.074 20 10 CGCDRN CCc1csc(NC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000878833669 635639000 /nfs/dbraw/zinc/63/90/00/635639000.db2.gz GQOWFQZTAMSQOM-VIFPVBQESA-N 0 0 291.376 3.294 20 10 CGCDRN Cc1ccnc(C)c1NC(=O)N[C@H](C)c1ccccc1O ZINC000879525592 635804114 /nfs/dbraw/zinc/80/41/14/635804114.db2.gz AGCMWZBPMPOAJZ-LLVKDONJSA-N 0 0 285.347 3.287 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(OC)c(Cl)c2)cc1 ZINC000844352986 635877572 /nfs/dbraw/zinc/87/75/72/635877572.db2.gz MGAGNQJXNFLOOL-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN COc1ccc(N(C)Cc2nc(CCC(C)C)no2)cc1 ZINC000844353096 635877645 /nfs/dbraw/zinc/87/76/45/635877645.db2.gz GLLLHQPQDMEZAH-UHFFFAOYSA-N 0 0 289.379 3.303 20 10 CGCDRN CCc1nc(C)c(CN(C)c2ccc(OC)cc2)o1 ZINC000844354310 635878367 /nfs/dbraw/zinc/87/83/67/635878367.db2.gz BAPSGPOHGWITTD-UHFFFAOYSA-N 0 0 260.337 3.190 20 10 CGCDRN CSc1ccnc(NCCCSc2nccs2)n1 ZINC000845490309 636039452 /nfs/dbraw/zinc/03/94/52/636039452.db2.gz NUQLUFYTFMXYMY-UHFFFAOYSA-N 0 0 298.462 3.249 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000881440891 636109465 /nfs/dbraw/zinc/10/94/65/636109465.db2.gz PTMRYJUDQUIVKP-QWHCGFSZSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000881440716 636109757 /nfs/dbraw/zinc/10/97/57/636109757.db2.gz MOHPOPBRXDYTGY-OSMZGAPFSA-N 0 0 259.349 3.006 20 10 CGCDRN COCc1ccnc(N[C@H](C)c2ccccc2O)c1 ZINC000846213158 636160238 /nfs/dbraw/zinc/16/02/38/636160238.db2.gz PQBKQYNATZEHOX-LLVKDONJSA-N 0 0 258.321 3.107 20 10 CGCDRN CCCC(CCC)C(=O)NCCc1ccc(N)cc1 ZINC000211732272 636176080 /nfs/dbraw/zinc/17/60/80/636176080.db2.gz NWONISDFKDHANG-UHFFFAOYSA-N 0 0 262.397 3.144 20 10 CGCDRN CCCC1(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846475304 636188278 /nfs/dbraw/zinc/18/82/78/636188278.db2.gz FQDMDYDECXYODN-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1C1CCCC1 ZINC000846477505 636188600 /nfs/dbraw/zinc/18/86/00/636188600.db2.gz RLFPEIVKGZBGHE-UONOGXRCSA-N 0 0 293.794 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C(F)=C1CCC1 ZINC000846477922 636188617 /nfs/dbraw/zinc/18/86/17/636188617.db2.gz VSONJRRDNPJGNQ-UHFFFAOYSA-N 0 0 269.703 3.069 20 10 CGCDRN OCc1ccnc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000881856883 636207353 /nfs/dbraw/zinc/20/73/53/636207353.db2.gz VEILZUBOBSVZON-UHFFFAOYSA-N 0 0 297.402 3.176 20 10 CGCDRN CC(C)(C)CC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000846656800 636214086 /nfs/dbraw/zinc/21/40/86/636214086.db2.gz ZYKMCTWELLYPES-UHFFFAOYSA-N 0 0 255.383 3.398 20 10 CGCDRN Cc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1C)NC2=O ZINC000846761293 636232358 /nfs/dbraw/zinc/23/23/58/636232358.db2.gz VSRHJCHQYFZPTR-KRWDZBQOSA-N 0 0 295.386 3.224 20 10 CGCDRN Cc1ccc(NCc2c(O)cccc2Cl)cc1C(N)=O ZINC000129438846 636248530 /nfs/dbraw/zinc/24/85/30/636248530.db2.gz TYTSPYRIROZPNU-UHFFFAOYSA-N 0 0 290.750 3.065 20 10 CGCDRN COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(N)cc1)CCC2 ZINC000848392857 636566537 /nfs/dbraw/zinc/56/65/37/636566537.db2.gz ILYYOELLGGGIBU-MRXNPFEDSA-N 0 0 296.370 3.336 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2[nH]ccc2c1 ZINC000107763568 636634167 /nfs/dbraw/zinc/63/41/67/636634167.db2.gz XFCDOBDGUAGSPX-UHFFFAOYSA-N 0 0 280.327 3.146 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000848922415 636692731 /nfs/dbraw/zinc/69/27/31/636692731.db2.gz QWXAAWKLKJGWTG-HUUCEWRRSA-N 0 0 295.810 3.483 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC000848927492 636698909 /nfs/dbraw/zinc/69/89/09/636698909.db2.gz GNANOEISXINDJP-KBPBESRZSA-N 0 0 283.799 3.483 20 10 CGCDRN COc1cccc(CN2Cc3cc(F)c(F)cc3C2)c1O ZINC000848926300 636698936 /nfs/dbraw/zinc/69/89/36/636698936.db2.gz UXULZUYTSNMEOU-UHFFFAOYSA-N 0 0 291.297 3.195 20 10 CGCDRN C[C@@H](N[C@@H](C)C(F)F)c1cc(Br)ccc1O ZINC000883399211 636740287 /nfs/dbraw/zinc/74/02/87/636740287.db2.gz HJWKOZQYYZXMEB-RQJHMYQMSA-N 0 0 294.139 3.459 20 10 CGCDRN C[C@H](NC(=O)NC[C@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000883582025 636796643 /nfs/dbraw/zinc/79/66/43/636796643.db2.gz LDXBEGPZOGHLNJ-KBPBESRZSA-N 0 0 287.407 3.079 20 10 CGCDRN CC(C)=CCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000849744459 636861904 /nfs/dbraw/zinc/86/19/04/636861904.db2.gz BXSCUGSWZNTFSD-VURMDHGXSA-N 0 0 262.305 3.011 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CC[C@@H](C)C2)c1 ZINC000133082679 636873387 /nfs/dbraw/zinc/87/33/87/636873387.db2.gz GUWOCCLHBZHKJU-FRRDWIJNSA-N 0 0 291.391 3.404 20 10 CGCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)CC(C)(C)O1 ZINC000133112064 636874107 /nfs/dbraw/zinc/87/41/07/636874107.db2.gz SIJGVYLRUFIASH-SNVBAGLBSA-N 0 0 269.772 3.045 20 10 CGCDRN CC(=O)C(=O)COc1cccc(C(C)(C)C)c1Cl ZINC000849971129 636917647 /nfs/dbraw/zinc/91/76/47/636917647.db2.gz IXERAHFTNNJNHD-UHFFFAOYSA-N 0 0 268.740 3.174 20 10 CGCDRN CCCc1noc(CSc2ncc(Cl)s2)n1 ZINC000849998121 636924122 /nfs/dbraw/zinc/92/41/22/636924122.db2.gz AVFVCWNWJAZMGC-UHFFFAOYSA-N 0 0 275.786 3.424 20 10 CGCDRN CCC(C)(C)NC(=O)CSc1ncc(Cl)s1 ZINC000849997999 636924290 /nfs/dbraw/zinc/92/42/90/636924290.db2.gz IUSSKDPVJRAJLE-UHFFFAOYSA-N 0 0 278.830 3.193 20 10 CGCDRN O[C@@H]1CCC[C@H](CSc2ncc(Cl)s2)C1 ZINC000850000175 636924866 /nfs/dbraw/zinc/92/48/66/636924866.db2.gz LQKCUBGLVQJSKF-JGVFFNPUSA-N 0 0 263.815 3.440 20 10 CGCDRN CCCc1nc(CSc2ncc(Cl)s2)no1 ZINC000849999120 636925143 /nfs/dbraw/zinc/92/51/43/636925143.db2.gz ODXBJDXQXGTWOT-UHFFFAOYSA-N 0 0 275.786 3.424 20 10 CGCDRN FC1(F)C[C@@H]1OCCSc1ncc(Cl)s1 ZINC000850002121 636926052 /nfs/dbraw/zinc/92/60/52/636926052.db2.gz TXOKFZZJZHJWGY-YFKPBYRVSA-N 0 0 271.741 3.313 20 10 CGCDRN COc1cccc(O)c1CNCC(F)(F)C(C)(C)C ZINC000850410208 637049574 /nfs/dbraw/zinc/04/95/74/637049574.db2.gz PQBDMDMSCGJYNQ-UHFFFAOYSA-N 0 0 273.323 3.172 20 10 CGCDRN C[C@H]([NH2+]CCC(C)(C)F)c1cc(F)cc(F)c1[O-] ZINC000850530699 637108269 /nfs/dbraw/zinc/10/82/69/637108269.db2.gz BUINANKEXJJHLJ-QMMMGPOBSA-N 0 0 261.287 3.459 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccoc1 ZINC000136401335 637335360 /nfs/dbraw/zinc/33/53/60/637335360.db2.gz YJZLGHTXBFUFNH-UHFFFAOYSA-N 0 0 282.137 3.038 20 10 CGCDRN Nc1ccc(CC(=O)N2CC[C@H](C3CCCCC3)C2)cc1 ZINC000851643585 637464257 /nfs/dbraw/zinc/46/42/57/637464257.db2.gz AZFPHCIDEDDDNH-INIZCTEOSA-N 0 0 286.419 3.240 20 10 CGCDRN COc1ccc(N(C)Cc2coc(C)n2)cc1Cl ZINC000851807652 637511051 /nfs/dbraw/zinc/51/10/51/637511051.db2.gz GKRQKYWKKCWRGF-UHFFFAOYSA-N 0 0 266.728 3.281 20 10 CGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886528329 637555122 /nfs/dbraw/zinc/55/51/22/637555122.db2.gz KHUHJFPZHSUKOE-SJKOYZFVSA-N 0 0 289.350 3.090 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1c([O-])cccc1F ZINC000886538506 637564010 /nfs/dbraw/zinc/56/40/10/637564010.db2.gz JFEHGOZDGFKVCD-QMTHXVAHSA-N 0 0 269.385 3.468 20 10 CGCDRN Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886549116 637576736 /nfs/dbraw/zinc/57/67/36/637576736.db2.gz BTCMDXCWQWMSMN-PWSUYJOCSA-N 0 0 295.379 3.285 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000886555684 637579426 /nfs/dbraw/zinc/57/94/26/637579426.db2.gz YVPXSDFSZGAXDD-GHMZBOCLSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000886559751 637581186 /nfs/dbraw/zinc/58/11/86/637581186.db2.gz CTIVFFWIBBTTCZ-GMTAPVOTSA-N 0 0 267.344 3.138 20 10 CGCDRN CCCn1cc(N[C@H](C)c2c(O)cccc2F)cn1 ZINC000886576438 637587393 /nfs/dbraw/zinc/58/73/93/637587393.db2.gz GJEOODAXAACLEL-SNVBAGLBSA-N 0 0 263.316 3.311 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1c([O-])cccc1F ZINC000886601405 637598325 /nfs/dbraw/zinc/59/83/25/637598325.db2.gz RUUGHAJPCQGLIV-OCCSQVGLSA-N 0 0 292.398 3.199 20 10 CGCDRN COc1ccc(N(CCOC(F)F)CC2CC2)cc1 ZINC000852135330 637603624 /nfs/dbraw/zinc/60/36/24/637603624.db2.gz MWXIGADCSDDQHK-UHFFFAOYSA-N 0 0 271.307 3.151 20 10 CGCDRN C[C@H](N[C@@H]1CCCC1(F)F)c1c(O)cccc1F ZINC000886610934 637604892 /nfs/dbraw/zinc/60/48/92/637604892.db2.gz NYDRWHNXIUXMGI-GZMMTYOYSA-N 0 0 259.271 3.370 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)nc1C ZINC000886623483 637614032 /nfs/dbraw/zinc/61/40/32/637614032.db2.gz FFWDSZZXRIMOFP-LBPRGKRZSA-N 0 0 274.339 3.394 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886636138 637621034 /nfs/dbraw/zinc/62/10/34/637621034.db2.gz GPZDJSXNBABEQF-NWDGAFQWSA-N 0 0 280.387 3.055 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1c([O-])cccc1F ZINC000886639575 637624527 /nfs/dbraw/zinc/62/45/27/637624527.db2.gz GLIMDKYBZNYQQA-BDAKNGLRSA-N 0 0 259.271 3.227 20 10 CGCDRN CCN(C)c1ccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000852322430 637635148 /nfs/dbraw/zinc/63/51/48/637635148.db2.gz JEVNDBIYKGXALQ-GOSISDBHSA-N 0 0 288.435 3.144 20 10 CGCDRN CC(C)[C@H](NC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000852648516 637690943 /nfs/dbraw/zinc/69/09/43/637690943.db2.gz PQTZSKGVXPUVOA-AWEZNQCLSA-N 0 0 296.798 3.279 20 10 CGCDRN Cc1ccc(N(C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000853095883 637756052 /nfs/dbraw/zinc/75/60/52/637756052.db2.gz CUTGBIMHJINDCJ-UHFFFAOYSA-N 0 0 296.418 3.412 20 10 CGCDRN CCCC(=O)c1ncccc1N(C)Cc1ccccc1O ZINC000853462379 637849304 /nfs/dbraw/zinc/84/93/04/637849304.db2.gz SLAIFZLJFZBZRK-UHFFFAOYSA-N 0 0 284.359 3.406 20 10 CGCDRN C/C(=C\C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000854324479 638043109 /nfs/dbraw/zinc/04/31/09/638043109.db2.gz LLGFZLORMIHUHT-WYMLVPIESA-N 0 0 298.386 3.408 20 10 CGCDRN CCC(C)(CC)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000113362211 638203482 /nfs/dbraw/zinc/20/34/82/638203482.db2.gz ISFIYKXEAJUTBS-UHFFFAOYSA-N 0 0 277.412 3.131 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000856501073 638368873 /nfs/dbraw/zinc/36/88/73/638368873.db2.gz RJAMWRANLWRKIJ-JQWIXIFHSA-N 0 0 265.378 3.249 20 10 CGCDRN CCCC[C@@H](C(=O)NCc1ccc(OC)cc1O)C(C)C ZINC000857199749 638471511 /nfs/dbraw/zinc/47/15/11/638471511.db2.gz XFFJONOLPZEZBF-OAHLLOKOSA-N 0 0 293.407 3.479 20 10 CGCDRN CCC(CC)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000115645104 638575258 /nfs/dbraw/zinc/57/52/58/638575258.db2.gz 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/nfs/dbraw/zinc/07/53/58/639075358.db2.gz GCMHYXWRYVWCDG-UHFFFAOYSA-N 0 0 299.296 3.084 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000859594323 639170600 /nfs/dbraw/zinc/17/06/00/639170600.db2.gz WOGQWZAIEINWDN-IAGOWNOFSA-N 0 0 298.361 3.218 20 10 CGCDRN CCCC(C)(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862024760 639635069 /nfs/dbraw/zinc/63/50/69/639635069.db2.gz GHGDJMYSCJRJID-UHFFFAOYSA-N 0 0 286.375 3.383 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862024521 639635092 /nfs/dbraw/zinc/63/50/92/639635092.db2.gz ABTBUCBLUFSZPZ-DOMZBBRYSA-N 0 0 298.386 3.383 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)C1CCCCC1 ZINC000862029370 639636452 /nfs/dbraw/zinc/63/64/52/639636452.db2.gz WRWIQHOJQHXQJB-UHFFFAOYSA-N 0 0 284.359 3.137 20 10 CGCDRN CC1(C(=O)NCc2ccc3cccnc3c2O)CCCC1 ZINC000862027683 639636467 /nfs/dbraw/zinc/63/64/67/639636467.db2.gz BQTKQLGXIHINPU-UHFFFAOYSA-N 0 0 284.359 3.137 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CC=CCC1 ZINC000934705110 639662901 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799571397 /nfs/dbraw/zinc/57/13/97/799571397.db2.gz SKGPGENXAFSEIY-ZMLRMANQSA-N 0 0 296.208 3.433 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(F)(F)CC1 ZINC000404807919 799579436 /nfs/dbraw/zinc/57/94/36/799579436.db2.gz VBSMRFCGYNOTBA-UHFFFAOYSA-N 0 0 261.699 3.277 20 10 CGCDRN CC(C)(C)CCCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406804 799688891 /nfs/dbraw/zinc/68/88/91/799688891.db2.gz XPJKBWTUVGQXHM-CLFYSBASSA-N 0 0 291.391 3.444 20 10 CGCDRN C[C@@H]1CCC[C@H](C)C1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407993 799689864 /nfs/dbraw/zinc/68/98/64/799689864.db2.gz MTHCHRMJIRWQIO-UXQBLSLESA-N 0 0 289.375 3.052 20 10 CGCDRN CCCC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCC1 ZINC000588407795 799690323 /nfs/dbraw/zinc/69/03/23/799690323.db2.gz VPHDBYFRMRIWAE-ALCCZGGFSA-N 0 0 289.375 3.198 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(F)cc1[O-] ZINC000688885156 799757606 /nfs/dbraw/zinc/75/76/06/799757606.db2.gz SLIVOWDEKXAJLQ-NTZNESFSSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000689225082 799762253 /nfs/dbraw/zinc/76/22/53/799762253.db2.gz NBDMCFFXUGOEST-PELKAZGASA-N 0 0 259.271 3.227 20 10 CGCDRN C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CS1 ZINC000689643353 799767036 /nfs/dbraw/zinc/76/70/36/799767036.db2.gz SKCWRXXIGFODGQ-ONGXEEELSA-N 0 0 271.813 3.419 20 10 CGCDRN CC(C)O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701724935 799893866 /nfs/dbraw/zinc/89/38/66/799893866.db2.gz YQKANSDGJDVFIZ-GFCCVEGCSA-N 0 0 269.772 3.045 20 10 CGCDRN CC(C)(C)SCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703342932 799922742 /nfs/dbraw/zinc/92/27/42/799922742.db2.gz YBVYVAZETXDVPK-UHFFFAOYSA-N 0 0 275.364 3.292 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000706933826 799970302 /nfs/dbraw/zinc/97/03/02/799970302.db2.gz BLCSANJZTZGHNI-GFCCVEGCSA-N 0 0 251.757 3.468 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC12CC2 ZINC000708410380 799988915 /nfs/dbraw/zinc/98/89/15/799988915.db2.gz YBJYDAQHZGSKBU-GFCCVEGCSA-N 0 0 253.292 3.093 20 10 CGCDRN C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC(C)(C)C1 ZINC000709553866 800009743 /nfs/dbraw/zinc/00/97/43/800009743.db2.gz NHXHDVLUTBDZOW-WFASDCNBSA-N 0 0 274.408 3.142 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccccc1O)C(C)(C)C ZINC000711092984 800047428 /nfs/dbraw/zinc/04/74/28/800047428.db2.gz HWLFNZQZYIGIFG-ZDUSSCGKSA-N 0 0 263.381 3.471 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000713471313 800109623 /nfs/dbraw/zinc/10/96/23/800109623.db2.gz RABLTXQELILJLT-QWHCGFSZSA-N 0 0 281.783 3.093 20 10 CGCDRN CC1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715718439 800144786 /nfs/dbraw/zinc/14/47/86/800144786.db2.gz MZAWCFABHAYQNX-UHFFFAOYSA-N 0 0 288.160 3.184 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CCC1CC=CC1 ZINC000724205882 800357410 /nfs/dbraw/zinc/35/74/10/800357410.db2.gz TYZYLAJDGLCTSL-UHFFFAOYSA-N 0 0 253.292 3.116 20 10 CGCDRN CC[C@@H](Nc1ccc(NC(C)=O)cn1)c1ccccc1O ZINC001116673234 802394080 /nfs/dbraw/zinc/39/40/80/802394080.db2.gz CUHTUQIBRTZMAF-CQSZACIVSA-N 0 0 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Oc1cccc(Nc2ccc(Cl)c3n[nH]cc32)c1O ZINC001215943442 815637696 /nfs/dbraw/zinc/63/76/96/815637696.db2.gz OWBHZWLAKQCZSJ-UHFFFAOYSA-N 0 0 275.695 3.371 20 10 CGCDRN Nc1ccc(N(CCO)c2cc(F)cc(F)c2Cl)cc1 ZINC001215951195 815638628 /nfs/dbraw/zinc/63/86/28/815638628.db2.gz QFNOCAYORPZAAI-UHFFFAOYSA-N 0 0 298.720 3.331 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(C2CC2)cnc1F ZINC001215958448 815641946 /nfs/dbraw/zinc/64/19/46/815641946.db2.gz HEBABTGAIIDMTH-UHFFFAOYSA-N 0 0 257.312 3.448 20 10 CGCDRN Oc1cccc(Nc2ccc(Cl)c3c[nH]nc32)c1O ZINC001216058001 815676568 /nfs/dbraw/zinc/67/65/68/815676568.db2.gz IGCSZKNWUXGDBG-UHFFFAOYSA-N 0 0 275.695 3.371 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(Cl)cc(CO)c1 ZINC001216438973 815829502 /nfs/dbraw/zinc/82/95/02/815829502.db2.gz TZARGASEGLFJAL-UHFFFAOYSA-N 0 0 262.740 3.182 20 10 CGCDRN O=C1C=CC(=NNc2ccccn2)C(OC2CC(O)C2)=C1 ZINC001218256461 816143700 /nfs/dbraw/zinc/14/37/00/816143700.db2.gz DGLGPCLVKAIJOC-ISLYRVAYSA-N 0 0 285.303 3.105 20 10 CGCDRN 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C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)[C@@H]1CO ZINC001231588835 818128989 /nfs/dbraw/zinc/12/89/89/818128989.db2.gz VYRVHUDTJLSZBY-CXAGYDPISA-N 0 0 285.387 3.138 20 10 CGCDRN Cc1cccc(CN2CC(Oc3ccccc3F)C2)c1O ZINC001231593607 818131409 /nfs/dbraw/zinc/13/14/09/818131409.db2.gz KFQGKHVNEKLNRZ-UHFFFAOYSA-N 0 0 287.334 3.103 20 10 CGCDRN CC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1O ZINC001231870334 818194429 /nfs/dbraw/zinc/19/44/29/818194429.db2.gz UVYMPYIRFFUNKK-AWEZNQCLSA-N 0 0 281.783 3.298 20 10 CGCDRN Cc1nc2c(o1)CCN(Cc1cc(Cl)c(C)cc1O)C2 ZINC001231871267 818194755 /nfs/dbraw/zinc/19/47/55/818194755.db2.gz IATNCKRCFHLCBS-UHFFFAOYSA-N 0 0 292.766 3.209 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCC[C@]1(C)O ZINC001231909652 818209090 /nfs/dbraw/zinc/20/90/90/818209090.db2.gz GXUFOGSBIJOQJN-ABAIWWIYSA-N 0 0 283.799 3.029 20 10 CGCDRN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233011744 818500490 /nfs/dbraw/zinc/50/04/90/818500490.db2.gz BZJKQHKNHKHKOJ-HNNXBMFYSA-N 0 0 299.370 3.449 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CGCDRN CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792556 819596278 /nfs/dbraw/zinc/59/62/78/819596278.db2.gz FCNNHMCNNKJXKE-JTQLQIEISA-N 0 0 290.190 3.310 20 10 CGCDRN Oc1cc(Cl)c(Cl)cc1CN1CCOC2(CC2)C1 ZINC001236801147 819599683 /nfs/dbraw/zinc/59/96/83/819599683.db2.gz AUTPLTGXUDLVLC-UHFFFAOYSA-N 0 0 288.174 3.064 20 10 CGCDRN COc1ccc(C[NH+]2CCCCCC2)c([O-])c1Cl ZINC001236801078 819599900 /nfs/dbraw/zinc/59/99/00/819599900.db2.gz FMPLTQBJEGKKOD-UHFFFAOYSA-N 0 0 269.772 3.430 20 10 CGCDRN COc1cc(O)c(CN(C)C2CC(F)(F)C2)c(Cl)c1 ZINC001236797810 819600347 /nfs/dbraw/zinc/60/03/47/819600347.db2.gz JJJFAKBRISUAAH-UHFFFAOYSA-N 0 0 291.725 3.284 20 10 CGCDRN COc1cc(O)c(CN(C)Cc2cncs2)c(Cl)c1 ZINC001236808647 819603968 /nfs/dbraw/zinc/60/39/68/819603968.db2.gz QONOUWBXKIYZSW-UHFFFAOYSA-N 0 0 298.795 3.143 20 10 CGCDRN COc1cc(C)c(C[N@@H+]2CCC3(CCC3)C2)c(O)c1 ZINC001236811232 819604820 /nfs/dbraw/zinc/60/48/20/819604820.db2.gz NISUXWFCHRMSDW-UHFFFAOYSA-N 0 0 261.365 3.085 20 10 CGCDRN 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ZINC001241823818 822164764 /nfs/dbraw/zinc/16/47/64/822164764.db2.gz XPSNLHDHHKKPBX-UHFFFAOYSA-N 0 0 256.280 3.388 20 10 CGCDRN CCN(c1ccccc1)c1cc(-c2ccc(=O)[nH]c2)ncn1 ZINC001242062404 822320261 /nfs/dbraw/zinc/32/02/61/822320261.db2.gz LHEQBKHFDHWDGI-UHFFFAOYSA-N 0 0 292.342 3.402 20 10 CGCDRN O=c1cc(-c2cncc(C3CC3)c2)ccn1CC(F)(F)F ZINC001242196831 822907651 /nfs/dbraw/zinc/90/76/51/822907651.db2.gz AYYHAQIGHVINMD-UHFFFAOYSA-N 0 0 294.276 3.350 20 10 CGCDRN CCN(CC)c1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC001343473886 936502632 /nfs/dbraw/zinc/50/26/32/936502632.db2.gz QWPAGKBZCGXXHF-UHFFFAOYSA-N 0 0 297.402 3.045 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)C1CC2(CC2)C1 ZINC001348029141 936907726 /nfs/dbraw/zinc/90/77/26/936907726.db2.gz FODBYECHXGRADD-UHFFFAOYSA-N 0 0 277.711 3.005 20 10 CGCDRN Cc1cc(CC(=O)NCC(C)C)c(C)n1-c1ccccc1 ZINC001348551218 936926094 /nfs/dbraw/zinc/92/60/94/936926094.db2.gz NAIVQCJLTRDIRY-UHFFFAOYSA-N 0 0 284.403 3.409 20 10 CGCDRN CCC[C@H](CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC001348912481 936938773 /nfs/dbraw/zinc/93/87/73/936938773.db2.gz WGAISCSEZKUOKC-AWEZNQCLSA-N 0 0 262.397 3.195 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccnc(F)c2)cc1 ZINC001349664061 936956418 /nfs/dbraw/zinc/95/64/18/936956418.db2.gz ZFJXNMFLWUTUEM-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cl)[nH]2)cc1 ZINC001350842474 937001221 /nfs/dbraw/zinc/00/12/21/937001221.db2.gz OVDYIZUMCQYRGS-UHFFFAOYSA-N 0 0 291.782 3.006 20 10 CGCDRN CC[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCCCC1 ZINC001353491967 937067035 /nfs/dbraw/zinc/06/70/35/937067035.db2.gz CVFKMFLIMHGIEM-MRXNPFEDSA-N 0 0 289.423 3.427 20 10 CGCDRN CCCN(C)c1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC001356228805 937155590 /nfs/dbraw/zinc/15/55/90/937155590.db2.gz UTAXPCBXCSSRKT-UHFFFAOYSA-N 0 0 297.402 3.045 20 10 CGCDRN Cc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001440586641 937331378 /nfs/dbraw/zinc/33/13/78/937331378.db2.gz BRCQTEFTJZTZCT-UHFFFAOYSA-N 0 0 296.330 3.087 20 10 CGCDRN C/C(=C\C(=O)NCc1ccccc1O)c1cccs1 ZINC001445969642 937360826 /nfs/dbraw/zinc/36/08/26/937360826.db2.gz JBZWHSGHCLVGKW-PKNBQFBNSA-N 0 0 273.357 3.173 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc(F)cc(Cl)c2)c1 ZINC001453652619 937404276 /nfs/dbraw/zinc/40/42/76/937404276.db2.gz STGLSFVUKDMMTL-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1cc(C(=O)N2CCCO2)c(C)n1-c1cc(C)cc(C)c1 ZINC001546078689 937424979 /nfs/dbraw/zinc/42/49/79/937424979.db2.gz WHRLEUMOQZJZLT-UHFFFAOYSA-N 0 0 298.386 3.488 20 10 CGCDRN Oc1cccc(F)c1CNc1ncnc2[nH]c(Cl)cc21 ZINC001458625748 937470695 /nfs/dbraw/zinc/47/06/95/937470695.db2.gz WWZKHUACKSFJSX-UHFFFAOYSA-N 0 0 292.701 3.068 20 10 CGCDRN CN(Cc1nncs1)c1ccc(-c2nccs2)cc1 ZINC001460210920 937520618 /nfs/dbraw/zinc/52/06/18/937520618.db2.gz WGGNVWNRXYXCTK-UHFFFAOYSA-N 0 0 288.401 3.298 20 10 CGCDRN COc1cc2c(c(OC)c1)N(C/C=C\Cl)CCC2 ZINC001460245965 937522260 /nfs/dbraw/zinc/52/22/60/937522260.db2.gz CAWCADUKDFXPEE-XQRVVYSFSA-N 0 0 267.756 3.209 20 10 CGCDRN Cc1cccc(CNc2nccc(C(F)F)n2)c1O ZINC001160770471 931984577 /nfs/dbraw/zinc/98/45/77/931984577.db2.gz XISIGEZLSFQYJR-UHFFFAOYSA-N 0 0 265.263 3.040 20 10 CGCDRN C[C@@H](CON)OC1=CC(=O)C=CC1=NNc1ccccc1 ZINC001229816283 932487838 /nfs/dbraw/zinc/48/78/38/932487838.db2.gz QZQIFNCGCNVYOH-SHYALIGYSA-N 0 0 287.319 3.465 20 10 CGCDRN CCc1ccc(C(=O)NCc2c(O)cccc2O)cc1CC ZINC001304053841 932841683 /nfs/dbraw/zinc/84/16/83/932841683.db2.gz TXBLRGCBLCEZDX-UHFFFAOYSA-N 0 0 299.370 3.153 20 10 CGCDRN COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462385389 937637204 /nfs/dbraw/zinc/63/72/04/937637204.db2.gz GWKNVLYJWMFPJY-NSHDSACASA-N 0 0 287.350 3.211 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1ncc(Cl)cn1 ZINC001307161627 932923037 /nfs/dbraw/zinc/92/30/37/932923037.db2.gz ZHOZEGMWNMFUBF-UHFFFAOYSA-N 0 0 270.119 3.101 20 10 CGCDRN C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001308426463 933109112 /nfs/dbraw/zinc/10/91/12/933109112.db2.gz HVECGZAGMVMSOH-NHYWBVRUSA-N 0 0 278.352 3.359 20 10 CGCDRN CCOC(=O)CN(Cc1ccc(Cl)cc1O)CC(C)C ZINC001308559180 933133410 /nfs/dbraw/zinc/13/34/10/933133410.db2.gz CYRVFVVDJBCLKT-UHFFFAOYSA-N 0 0 299.798 3.067 20 10 CGCDRN CCCC[N@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC001308589936 933138462 /nfs/dbraw/zinc/13/84/62/933138462.db2.gz WTQNYBGSKPAUNT-UHFFFAOYSA-N 0 0 255.308 3.435 20 10 CGCDRN CCC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC001308619181 933142975 /nfs/dbraw/zinc/14/29/75/933142975.db2.gz JWHRAQGLPDCUAR-ZDUSSCGKSA-N 0 0 298.377 3.032 20 10 CGCDRN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1Cl ZINC001308730954 933165812 /nfs/dbraw/zinc/16/58/12/933165812.db2.gz DHUKUBCPFVMKJP-BDJLRTHQSA-N 0 0 295.810 3.353 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC001308758065 933171416 /nfs/dbraw/zinc/17/14/16/933171416.db2.gz LKHXABNLAQONMF-CQSZACIVSA-N 0 0 291.782 3.496 20 10 CGCDRN CC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC001468510644 937728882 /nfs/dbraw/zinc/72/88/82/937728882.db2.gz VZXIDGWYRIRJBT-RYUDHWBXSA-N 0 0 277.364 3.044 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc(F)cc1[O-] ZINC001320410420 934045456 /nfs/dbraw/zinc/04/54/56/934045456.db2.gz BDWMWQSBMQDBPC-NILFDRSVSA-N 0 0 280.387 3.055 20 10 CGCDRN C/C(=C/c1ccc(C)cc1)C(=O)NCc1ccc(O)cc1O ZINC001469158540 937735878 /nfs/dbraw/zinc/73/58/78/937735878.db2.gz ATVWMJXHNPMFFM-LCYFTJDESA-N 0 0 297.354 3.126 20 10 CGCDRN O=C(Cc1cccs1)Nc1c2nonc2ccc1Cl ZINC001321103689 934150684 /nfs/dbraw/zinc/15/06/84/934150684.db2.gz QUJLDJUQDNQSOV-UHFFFAOYSA-N 0 0 293.735 3.119 20 10 CGCDRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001470496638 937754066 /nfs/dbraw/zinc/75/40/66/937754066.db2.gz RGIZWSKNBXQUOI-ATCWAGBWSA-N 0 0 288.391 3.242 20 10 CGCDRN Cc1sccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001471086480 937761390 /nfs/dbraw/zinc/76/13/90/937761390.db2.gz VKNZZMSHSIIKIH-HWKANZROSA-N 0 0 275.329 3.120 20 10 CGCDRN C[C@@H](NC(=O)/C=C\C=C(Cl)Cl)c1ccccc1O ZINC001471196057 937762673 /nfs/dbraw/zinc/76/26/73/937762673.db2.gz SGVDTCJFXBJLFJ-USYJTPIQSA-N 0 0 286.158 3.445 20 10 CGCDRN O=C(N[C@@H](CF)c1ccc(F)cc1)C1=CC(=O)CS1 ZINC001471302545 937763888 /nfs/dbraw/zinc/76/38/88/937763888.db2.gz BGONBAZATYZMGC-NSHDSACASA-N 0 0 283.299 3.033 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC/C=C\C1CC1 ZINC001324736816 934560143 /nfs/dbraw/zinc/56/01/43/934560143.db2.gz PZKNINJOQGQJHO-WAYWQWQTSA-N 0 0 288.391 3.280 20 10 CGCDRN COc1ccc(N(CC[C@@H]2CCOC2)CC2CC2)cc1 ZINC001325203557 934895018 /nfs/dbraw/zinc/89/50/18/934895018.db2.gz INHVRFCXUOIVKT-OAHLLOKOSA-N 0 0 275.392 3.338 20 10 CGCDRN CN(C)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC001325400650 934910106 /nfs/dbraw/zinc/91/01/06/934910106.db2.gz YWPZJMIOAPXPNC-UHFFFAOYSA-N 0 0 296.418 3.360 20 10 CGCDRN CCOC(=O)CN(CCC(C)(C)C)Cc1ccccc1O ZINC001473572387 937811958 /nfs/dbraw/zinc/81/19/58/937811958.db2.gz OSYDKGXIIHMCDS-UHFFFAOYSA-N 0 0 293.407 3.194 20 10 CGCDRN Cc1csc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001325776525 934928602 /nfs/dbraw/zinc/92/86/02/934928602.db2.gz PGNJYBBPIZKBOF-NSHDSACASA-N 0 0 289.404 3.009 20 10 CGCDRN C[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)c2ccccc2O1 ZINC001328382745 935132949 /nfs/dbraw/zinc/13/29/49/935132949.db2.gz HBILQTJFNXMUSV-BXKDBHETSA-N 0 0 289.356 3.096 20 10 CGCDRN CCCn1cc(NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC001329388685 935211999 /nfs/dbraw/zinc/21/19/99/935211999.db2.gz GLNVHRKUQMPHIQ-UHFFFAOYSA-N 0 0 294.349 3.249 20 10 CGCDRN C[C@H](NC(=O)C1(Oc2ccccc2)CC1)c1ccccc1O ZINC001329835913 935248034 /nfs/dbraw/zinc/24/80/34/935248034.db2.gz FZQKSKFEZXADRJ-ZDUSSCGKSA-N 0 0 297.354 3.181 20 10 CGCDRN Cc1ccc(CN2C[C@H](C)C(=O)Nc3ccccc32)c(O)c1 ZINC001330639035 935306042 /nfs/dbraw/zinc/30/60/42/935306042.db2.gz NAHVGGYPMLJJJK-ZDUSSCGKSA-N 0 0 296.370 3.295 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1c([O-])cccc1F ZINC001332365913 935463103 /nfs/dbraw/zinc/46/31/03/935463103.db2.gz SEJHMWAMZYCLRO-AXFHLTTASA-N 0 0 255.308 3.463 20 10 CGCDRN CC1(C)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333101902 935509650 /nfs/dbraw/zinc/50/96/50/935509650.db2.gz WXDNIJXYVVHRBG-UHFFFAOYSA-N 0 0 291.372 3.327 20 10 CGCDRN CCC[C@@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC001335540360 936151759 /nfs/dbraw/zinc/15/17/59/936151759.db2.gz YKKKBLMCOGRSRW-CQSZACIVSA-N 0 0 277.412 3.283 20 10 CGCDRN Cc1cccc([C@@H](C)NC(=O)NCc2ccc(N)cc2)c1C ZINC001336826354 936221541 /nfs/dbraw/zinc/22/15/41/936221541.db2.gz KSCBPMHLONVMIT-CQSZACIVSA-N 0 0 297.402 3.446 20 10 CGCDRN CC(C)(NC(=O)NCc1ccc(N)cc1)c1cccs1 ZINC001337018979 936232507 /nfs/dbraw/zinc/23/25/07/936232507.db2.gz NXFDVMVWXSNZNS-UHFFFAOYSA-N 0 0 289.404 3.065 20 10 CGCDRN Cc1ccccc1C(C)(C)NC(=O)NCc1ccc(N)cc1 ZINC001337019833 936233017 /nfs/dbraw/zinc/23/30/17/936233017.db2.gz WILTWCMWPUKDBK-UHFFFAOYSA-N 0 0 297.402 3.312 20 10 CGCDRN CCOc1cncc(CN2CCCc3cc(OC)ccc32)c1 ZINC001474428745 937859146 /nfs/dbraw/zinc/85/91/46/937859146.db2.gz PNALDWCNPZTRJB-UHFFFAOYSA-N 0 0 298.386 3.442 20 10 CGCDRN Cc1ccc(CN2CCCOc3ccccc32)c(O)c1 ZINC001474555881 937866768 /nfs/dbraw/zinc/86/67/68/937866768.db2.gz CQWHVTUOIBKTTN-UHFFFAOYSA-N 0 0 269.344 3.490 20 10 CGCDRN CC1(C)CCC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])O1 ZINC001474739512 937877872 /nfs/dbraw/zinc/87/78/72/937877872.db2.gz XJKMNHDESUDMCW-GFCCVEGCSA-N 0 0 283.799 3.483 20 10 CGCDRN CCCCC1([NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001474744163 937878367 /nfs/dbraw/zinc/87/83/67/937878367.db2.gz FTOIIQZICZAIAD-UHFFFAOYSA-N 0 0 255.308 3.483 20 10 CGCDRN Cc1noc(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC001515459417 938006086 /nfs/dbraw/zinc/00/60/86/938006086.db2.gz PXULYLWGSSMWKX-UHFFFAOYSA-N 0 0 286.379 3.226 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC001523212007 938038650 /nfs/dbraw/zinc/03/86/50/938038650.db2.gz KSTSRDQENGQZEL-IIAWOOMASA-N 0 0 288.435 3.441 20 10 CGCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1Cl ZINC001524546985 938044197 /nfs/dbraw/zinc/04/41/97/938044197.db2.gz MPZSUARDNHSRLK-CMDGGOBGSA-N 0 0 289.766 3.140 20 10 CGCDRN CCC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001540567644 938132213 /nfs/dbraw/zinc/13/22/13/938132213.db2.gz UMURIMSMGOMRRS-UHFFFAOYSA-N 0 0 286.419 3.435 20 10 CGCDRN CC[C@H](C)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001544043695 938143086 /nfs/dbraw/zinc/14/30/86/938143086.db2.gz DPNUYAMWLWITOA-IUCAKERBSA-N 0 0 293.388 3.477 20 10 CGCDRN Cc1c(F)c(F)ccc1NC(=O)NCc1ccccc1O ZINC001562933384 938179923 /nfs/dbraw/zinc/17/99/23/938179923.db2.gz QWRJGEHCKIMXDO-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN C/C(=C\C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001558036603 938213365 /nfs/dbraw/zinc/21/33/65/938213365.db2.gz WDRAODOZWRQEEO-JLHYYAGUSA-N 0 0 279.339 3.338 20 10 CGCDRN O=C(c1cccc2cc[nH]c21)N1Cc2cccc(O)c2C1 ZINC001558035674 938213399 /nfs/dbraw/zinc/21/33/99/938213399.db2.gz LUGPJHUQXYKVEW-UHFFFAOYSA-N 0 0 278.311 3.030 20 10 CGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cncn1C ZINC001559928317 938239274 /nfs/dbraw/zinc/23/92/74/938239274.db2.gz VAXZYPVXALEFED-OAHLLOKOSA-N 0 0 299.418 3.264 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC001560336452 938254005 /nfs/dbraw/zinc/25/40/05/938254005.db2.gz OUPCRQPKTAMLIW-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001563482805 938303273 /nfs/dbraw/zinc/30/32/73/938303273.db2.gz NQPHSLNFEALASQ-GXFFZTMASA-N 0 0 296.798 3.424 20 10 CGCDRN Cc1cc(O)c(C[N@H+](CC(=O)[O-])CC(C)(C)C)c(Cl)c1 ZINC001594325229 958161837 /nfs/dbraw/zinc/16/18/37/958161837.db2.gz JGCFXOAKZFARDL-UHFFFAOYSA-N 0 0 299.798 3.287 20 10 CGCDRN CC1(C)CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC001564379367 960639609 /nfs/dbraw/zinc/63/96/09/960639609.db2.gz SLPIVFKVTURKCS-LBPRGKRZSA-N 0 0 296.798 3.424 20 10 CGCDRN Nc1ccc(CC(=O)O[C@H]2CCc3cc(F)ccc32)cc1 ZINC001580442726 962725781 /nfs/dbraw/zinc/72/57/81/962725781.db2.gz GOGPJBNCRUCCMY-INIZCTEOSA-N 0 0 285.318 3.181 20 10 CGCDRN Nc1ccc(OC(=O)c2ncc(Cl)cc2Cl)cc1 ZINC001580449129 962728071 /nfs/dbraw/zinc/72/80/71/962728071.db2.gz CJCWFHOMPTXOTE-UHFFFAOYSA-N 0 0 283.114 3.190 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001589281110 963980701 /nfs/dbraw/zinc/98/07/01/963980701.db2.gz QWSMFRXPQOWGGQ-DOMZBBRYSA-N 0 0 291.391 3.058 20 10 CGCDRN CN1CCCc2cc(CNc3cncc(Cl)n3)ccc21 ZINC000058555595 345196977 /nfs/dbraw/zinc/19/69/77/345196977.db2.gz MHINZKTYAOPHPM-UHFFFAOYSA-N 0 0 288.782 3.125 20 10 CGCDRN CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000073324475 345438024 /nfs/dbraw/zinc/43/80/24/345438024.db2.gz SEZIRLMXJNKPJS-ZDUSSCGKSA-N 0 0 274.389 3.451 20 10 CGCDRN COC(=O)c1cc(F)ccc1CSc1nccs1 ZINC000728792000 571823459 /nfs/dbraw/zinc/82/34/59/571823459.db2.gz SETMAVVVKGKKNI-UHFFFAOYSA-N 0 0 283.349 3.361 20 10 CGCDRN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000290627185 346425437 /nfs/dbraw/zinc/42/54/37/346425437.db2.gz XRMNKWXZVPJQMR-CQSZACIVSA-N 0 0 289.354 3.208 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCC[C@@H]2c2ncon2)c1O ZINC000362043416 346545336 /nfs/dbraw/zinc/54/53/36/346545336.db2.gz FVMUJOQWVNJJOT-GFCCVEGCSA-N 0 0 293.754 3.074 20 10 CGCDRN Brc1cccnc1Sc1nccs1 ZINC000042376578 369218764 /nfs/dbraw/zinc/21/87/64/369218764.db2.gz JYCFJXFQYQIKDP-UHFFFAOYSA-N 0 0 273.180 3.452 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(C)(C)F ZINC000132341131 371167881 /nfs/dbraw/zinc/16/78/81/371167881.db2.gz CUBNDPQKRXQETE-UHFFFAOYSA-N 0 0 292.398 3.383 20 10 CGCDRN CC[C@H]([NH2+]C1CCSCC1)c1ccccc1O ZINC000136362681 371474533 /nfs/dbraw/zinc/47/45/33/371474533.db2.gz LHAJRKXGGINOEK-ZDUSSCGKSA-N 0 0 251.395 3.329 20 10 CGCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287660904 371691149 /nfs/dbraw/zinc/69/11/49/371691149.db2.gz LSVGFRCSUMLVAS-LEWSCRJBSA-N 0 0 285.815 3.493 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)nc2)c1 ZINC000154250099 371829813 /nfs/dbraw/zinc/82/98/13/371829813.db2.gz GUBZPZBTJNBSST-NSHDSACASA-N 0 0 258.321 3.277 20 10 CGCDRN CSC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168813172 372621131 /nfs/dbraw/zinc/62/11/31/372621131.db2.gz BNLFXYNPKPFXSC-SECBINFHSA-N 0 0 257.374 3.324 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(C)c1O ZINC000170732228 372653909 /nfs/dbraw/zinc/65/39/09/372653909.db2.gz TXNIZGNTRGEKOD-UHFFFAOYSA-N 0 0 299.370 3.459 20 10 CGCDRN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2c(C)cc(C)cc2O)[nH]n1 ZINC000294678354 372665918 /nfs/dbraw/zinc/66/59/18/372665918.db2.gz HZLRMWRQXIBUPX-JSGCOSHPSA-N 0 0 287.407 3.322 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000294780831 372672738 /nfs/dbraw/zinc/67/27/38/372672738.db2.gz GTYBBNBAARZICS-GXTWGEPZSA-N 0 0 261.365 3.177 20 10 CGCDRN CCC[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171965688 372869073 /nfs/dbraw/zinc/86/90/73/372869073.db2.gz YGPSHNJMYMYNNL-CQSZACIVSA-N 0 0 274.408 3.339 20 10 CGCDRN CC(C)C1(C)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295865309 372940098 /nfs/dbraw/zinc/94/00/98/372940098.db2.gz YPVPKPHFFKAHKY-UHFFFAOYSA-N 0 0 295.354 3.135 20 10 CGCDRN CC(=O)NCc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000296333851 373093849 /nfs/dbraw/zinc/09/38/49/373093849.db2.gz GNODTLPFFHNYEH-MRXNPFEDSA-N 0 0 296.370 3.128 20 10 CGCDRN Cc1ccc(C[C@H](C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000297159118 373258721 /nfs/dbraw/zinc/25/87/21/373258721.db2.gz JMXXEIPRASSAMQ-AWEZNQCLSA-N 0 0 282.387 3.072 20 10 CGCDRN COCCC1(C)C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000297494783 373271020 /nfs/dbraw/zinc/27/10/20/373271020.db2.gz VKIVTFGUGIRRJY-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298339446 373294514 /nfs/dbraw/zinc/29/45/14/373294514.db2.gz CWIZULDFLDUOSV-UHFFFAOYSA-N 0 0 274.408 3.434 20 10 CGCDRN Cc1ccoc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298411546 373320763 /nfs/dbraw/zinc/32/07/63/373320763.db2.gz WLGPXEXOOCABJO-UHFFFAOYSA-N 0 0 298.386 3.459 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cc(Cl)nc(C)n2)c1 ZINC000301184161 373685165 /nfs/dbraw/zinc/68/51/65/373685165.db2.gz IVKDOWNJWAHNGW-MRVPVSSYSA-N 0 0 293.754 3.326 20 10 CGCDRN CCc1cnc(CN(C)Cc2cc(F)ccc2O)s1 ZINC000180227164 373981383 /nfs/dbraw/zinc/98/13/83/373981383.db2.gz MAIXORCQWXLOFF-UHFFFAOYSA-N 0 0 280.368 3.182 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1OC ZINC000180310560 373988850 /nfs/dbraw/zinc/98/88/50/373988850.db2.gz CEFPVEQPPKEKEV-RYUDHWBXSA-N 0 0 279.380 3.030 20 10 CGCDRN CCCOc1ccc(CNc2nnc(CC)s2)c(O)c1 ZINC000181475088 374129440 /nfs/dbraw/zinc/12/94/40/374129440.db2.gz HUBPEQRCSZDWML-UHFFFAOYSA-N 0 0 293.392 3.207 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c(O)c1O ZINC000181897627 374187200 /nfs/dbraw/zinc/18/72/00/374187200.db2.gz PBJBMEDDIVIEFJ-ZYHUDNBSSA-N 0 0 277.364 3.057 20 10 CGCDRN Cc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2O)s1 ZINC000182323128 374258499 /nfs/dbraw/zinc/25/84/99/374258499.db2.gz MTAJPPVPZZHLBG-UHFFFAOYSA-N 0 0 291.372 3.048 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)CCCOC ZINC000182202284 374234302 /nfs/dbraw/zinc/23/43/02/374234302.db2.gz OMCJXTKQFSZOGX-AWEZNQCLSA-N 0 0 293.407 3.194 20 10 CGCDRN CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185657103 374706330 /nfs/dbraw/zinc/70/63/30/374706330.db2.gz PPNWJCDPFMCIFR-LDYMZIIASA-N 0 0 292.206 3.367 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCC[C@H]21 ZINC000472220858 375011354 /nfs/dbraw/zinc/01/13/54/375011354.db2.gz DUHVKDOUUXCHJL-UKRRQHHQSA-N 0 0 297.402 3.181 20 10 CGCDRN COCCC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187799214 375096861 /nfs/dbraw/zinc/09/68/61/375096861.db2.gz KGBDYPMOXOMCPH-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000188247828 375183288 /nfs/dbraw/zinc/18/32/88/375183288.db2.gz CNHBSMMUWPOTQM-HNNXBMFYSA-N 0 0 297.354 3.384 20 10 CGCDRN C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191199938 375594274 /nfs/dbraw/zinc/59/42/74/375594274.db2.gz CCTFPOPDNFETLO-VXGBXAGGSA-N 0 0 298.377 3.195 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248907890 377427116 /nfs/dbraw/zinc/42/71/16/377427116.db2.gz XFEYAXQVSREDKR-IINYFYTJSA-N 0 0 299.773 3.186 20 10 CGCDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)NCc1ccccc1O ZINC000266985283 378030058 /nfs/dbraw/zinc/03/00/58/378030058.db2.gz PXUSABZUXBVYGS-KBPBESRZSA-N 0 0 298.386 3.384 20 10 CGCDRN COc1ccc([C@@H](C)CC(=O)NCc2ccccc2O)cc1 ZINC000267532646 378041914 /nfs/dbraw/zinc/04/19/14/378041914.db2.gz QXRLKHLNJFUKPR-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2)cc1F ZINC000268216909 378050101 /nfs/dbraw/zinc/05/01/01/378050101.db2.gz VJVYERRIVBEWQW-HNNXBMFYSA-N 0 0 293.313 3.143 20 10 CGCDRN Cc1nccn1CCCOc1ccc(N2CCCC2)cc1 ZINC000271184616 378474324 /nfs/dbraw/zinc/47/43/24/378474324.db2.gz DKCTUYJJIWSDIF-UHFFFAOYSA-N 0 0 285.391 3.261 20 10 CGCDRN COc1ccc(N(Cc2ccn(C)n2)[C@H](C)C2CC2)cc1 ZINC000272001458 378542782 /nfs/dbraw/zinc/54/27/82/378542782.db2.gz RQDGTMZLIJYRMW-CYBMUJFWSA-N 0 0 285.391 3.234 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273513169 378749835 /nfs/dbraw/zinc/74/98/35/378749835.db2.gz SEABKXICHDGVCR-KWBADKCTSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc2ccccc2c1O ZINC000275636710 378956685 /nfs/dbraw/zinc/95/66/85/378956685.db2.gz BZTFVZHGXJAQDS-NEPJUHHUSA-N 0 0 296.374 3.086 20 10 CGCDRN Cc1cccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281268353 379826419 /nfs/dbraw/zinc/82/64/19/379826419.db2.gz NPTCDXNUNSPDKY-MRXNPFEDSA-N 0 0 285.391 3.161 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C=C(C)C ZINC000282559918 379945614 /nfs/dbraw/zinc/94/56/14/379945614.db2.gz UCNNZMRFHIFEFQ-UHFFFAOYSA-N 0 0 261.365 3.487 20 10 CGCDRN CCCC[N@H+](Cc1ccc(CO)o1)Cc1ccccc1O ZINC000282922779 380011877 /nfs/dbraw/zinc/01/18/77/380011877.db2.gz FHCHGDNLIZSFAL-UHFFFAOYSA-N 0 0 289.375 3.280 20 10 CGCDRN CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286232686 380178737 /nfs/dbraw/zinc/17/87/37/380178737.db2.gz SWOMSLMOAXWRAG-GDBMZVCRSA-N 0 0 295.398 3.369 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286277760 380188211 /nfs/dbraw/zinc/18/82/11/380188211.db2.gz VQJKVKVRKGBJEL-JKSUJKDBSA-N 0 0 289.350 3.306 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000363845760 382258956 /nfs/dbraw/zinc/25/89/56/382258956.db2.gz BEOVZYYRPAGTCM-SZYCXQDTSA-N 0 0 293.382 3.386 20 10 CGCDRN Cc1ccc([C@H]2COCCN2Cc2cc(C)ccc2O)o1 ZINC000093460019 392237109 /nfs/dbraw/zinc/23/71/09/392237109.db2.gz QXUPKVWNIBVUFU-OAHLLOKOSA-N 0 0 287.359 3.176 20 10 CGCDRN CC[C@H](CC(=O)NCc1cccc(OC)c1O)C(C)C ZINC000105650272 392292293 /nfs/dbraw/zinc/29/22/93/392292293.db2.gz RRRUUXDYXHYCHW-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN CCc1noc(C)c1CN(C)c1ccc(OC)c(F)c1 ZINC000121802305 392416165 /nfs/dbraw/zinc/41/61/65/392416165.db2.gz HFWWVZLCGXVFMC-UHFFFAOYSA-N 0 0 278.327 3.330 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287807598 392404945 /nfs/dbraw/zinc/40/49/45/392404945.db2.gz UNNBYENNFATZTM-WRWORJQWSA-N 0 0 278.179 3.121 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c(O)c1O ZINC000179525173 392702105 /nfs/dbraw/zinc/70/21/05/392702105.db2.gz ULYPMOXAUXGEAU-SWLSCSKDSA-N 0 0 297.354 3.239 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000193820426 392886722 /nfs/dbraw/zinc/88/67/22/392886722.db2.gz KESPMNRVRZWKKF-VIFPVBQESA-N 0 0 255.358 3.078 20 10 CGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000217823841 392996646 /nfs/dbraw/zinc/99/66/46/392996646.db2.gz AIXYWDMRTYVRAV-XYPHTWIQSA-N 0 0 288.435 3.388 20 10 CGCDRN CSCC(C)(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000281894534 393365796 /nfs/dbraw/zinc/36/57/96/393365796.db2.gz BDKNOELPZPSCCO-UHFFFAOYSA-N 0 0 294.464 3.100 20 10 CGCDRN CC(C)c1cccc(OCC(=O)Nc2ccc(N)cc2)c1 ZINC000019261852 170762590 /nfs/dbraw/zinc/76/25/90/170762590.db2.gz RXZSQNFEDJCMGT-UHFFFAOYSA-N 0 0 284.359 3.410 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccncc1 ZINC000020140097 171027048 /nfs/dbraw/zinc/02/70/48/171027048.db2.gz IVFIPAMNZMMKLO-UHFFFAOYSA-N 0 0 283.158 3.384 20 10 CGCDRN COc1ccc(N[C@@H](C)c2cc(C)ccc2O)cn1 ZINC000035628460 172307453 /nfs/dbraw/zinc/30/74/53/172307453.db2.gz VTOLYFTVNSRWLK-NSHDSACASA-N 0 0 258.321 3.277 20 10 CGCDRN Oc1cc2c(cc1CNc1cccc(Cl)c1)OCO2 ZINC000042879224 174901347 /nfs/dbraw/zinc/90/13/47/174901347.db2.gz FOKSPAOUBQDLBJ-UHFFFAOYSA-N 0 0 277.707 3.386 20 10 CGCDRN CC(C)(Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152518161 261064816 /nfs/dbraw/zinc/06/48/16/261064816.db2.gz YGVYAXAZRNVRQV-UHFFFAOYSA-N 0 0 296.414 3.196 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CC1=CCCCC1 ZINC000106908023 261372867 /nfs/dbraw/zinc/37/28/67/261372867.db2.gz IOZZJNKYCUJEJG-UHFFFAOYSA-N 0 0 259.349 3.241 20 10 CGCDRN CC[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181095769 261885478 /nfs/dbraw/zinc/88/54/78/261885478.db2.gz SXNRAWLTCMAQBO-CFNZNRNTSA-N 0 0 289.375 3.150 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000185162373 262043427 /nfs/dbraw/zinc/04/34/27/262043427.db2.gz ZSMRMEPXKCLCTK-QFYYESIMSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000185327899 262050680 /nfs/dbraw/zinc/05/06/80/262050680.db2.gz ANNFZSGWTDYOSA-MEDUHNTESA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185454062 262054828 /nfs/dbraw/zinc/05/48/28/262054828.db2.gz ZIDMHZPBRRSCTG-YVEFUNNKSA-N 0 0 289.350 3.090 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]CCCC(C)(C)CO)c1 ZINC000185537254 262305618 /nfs/dbraw/zinc/30/56/18/262305618.db2.gz WAFNXYPSFMGRBU-CYBMUJFWSA-N 0 0 265.397 3.150 20 10 CGCDRN C[C@H]1CCSCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000191814230 300027702 /nfs/dbraw/zinc/02/77/02/300027702.db2.gz ICBQSCVCKCRISL-JTQLQIEISA-N 0 0 271.813 3.373 20 10 CGCDRN O=C(NCCc1ccc(O)c(O)c1)C1CCCCCCC1 ZINC000179088549 327798905 /nfs/dbraw/zinc/79/89/05/327798905.db2.gz GWXPJKYIZSTAGV-UHFFFAOYSA-N 0 0 291.391 3.117 20 10 CGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1cc(F)ccc1F ZINC000255020697 327250753 /nfs/dbraw/zinc/25/07/53/327250753.db2.gz SONNJFATQGWDSX-DJWKRKHSSA-N 0 0 292.260 3.175 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C2CCC1CC2 ZINC000525935383 329388474 /nfs/dbraw/zinc/38/84/74/329388474.db2.gz PTEMHUUBIAGJAQ-UHFFFAOYSA-N 0 0 297.402 3.323 20 10 CGCDRN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000527983418 330298458 /nfs/dbraw/zinc/29/84/58/330298458.db2.gz XMMISFMFJZSETA-YUELXQCFSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccccc2F)cn1 ZINC000492997755 332422028 /nfs/dbraw/zinc/42/20/28/332422028.db2.gz OCJXRAVTIQBYPU-KTKRTIGZSA-N 0 0 270.307 3.205 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(Cl)cn1 ZINC000186475953 333161561 /nfs/dbraw/zinc/16/15/61/333161561.db2.gz DEDZAOQDPWUUBU-GQCTYLIASA-N 0 0 293.779 3.176 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000528828265 333460668 /nfs/dbraw/zinc/46/06/68/333460668.db2.gz UXRBJQGSWCWVRR-OAUYIBNBSA-N 0 0 287.403 3.423 20 10 CGCDRN CC(C)C[C@H](C)OCCC(=O)N(C)Cc1ccccc1O ZINC000088296390 519319656 /nfs/dbraw/zinc/31/96/56/519319656.db2.gz OEMILDMCWFSANP-AWEZNQCLSA-N 0 0 293.407 3.192 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccoc1 ZINC000282390978 520546881 /nfs/dbraw/zinc/54/68/81/520546881.db2.gz DOOBWRXFRGLWEN-UHFFFAOYSA-N 0 0 273.332 3.428 20 10 CGCDRN CCN(CC)c1ccc(CNCc2cc(C)no2)cc1 ZINC000044986164 520907232 /nfs/dbraw/zinc/90/72/32/520907232.db2.gz HSVANXAARWQCRP-UHFFFAOYSA-N 0 0 273.380 3.119 20 10 CGCDRN CCN(CCC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000265801400 520996866 /nfs/dbraw/zinc/99/68/66/520996866.db2.gz CBGWBRQHXBROHJ-UHFFFAOYSA-N 0 0 277.286 3.483 20 10 CGCDRN CCSc1cc(C[NH2+]Cc2cccc(F)c2[O-])ccn1 ZINC000275135633 521733928 /nfs/dbraw/zinc/73/39/28/521733928.db2.gz MHPIKMJYOQBVAD-UHFFFAOYSA-N 0 0 292.379 3.328 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccs2)cc1 ZINC000060678494 522169995 /nfs/dbraw/zinc/16/99/95/522169995.db2.gz VTIMDISWHONPSA-UHFFFAOYSA-N 0 0 274.389 3.086 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2=CCCCC2)cc1F ZINC000127130445 522185437 /nfs/dbraw/zinc/18/54/37/522185437.db2.gz VZVYSDRSTYABLV-UHFFFAOYSA-N 0 0 276.355 3.008 20 10 CGCDRN COCc1ccc(CN(C)c2ccc(OC)c(F)c2)o1 ZINC000272580538 522968448 /nfs/dbraw/zinc/96/84/48/522968448.db2.gz XYWUEUSPRRIZPQ-UHFFFAOYSA-N 0 0 279.311 3.210 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)c1ccccc1 ZINC000136944432 523378162 /nfs/dbraw/zinc/37/81/62/523378162.db2.gz IVDDBSYMGKRVPR-UHFFFAOYSA-N 0 0 283.371 3.328 20 10 CGCDRN 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CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccoc1 ZINC000742475895 572586706 /nfs/dbraw/zinc/58/67/06/572586706.db2.gz DXAJABLXOXDZCQ-UHFFFAOYSA-N 0 0 284.359 3.200 20 10 CGCDRN CCOC(=O)CCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000726602446 572587885 /nfs/dbraw/zinc/58/78/85/572587885.db2.gz QZYZEXLIHUMQIX-UHFFFAOYSA-N 0 0 297.370 3.392 20 10 CGCDRN CCCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000742711039 572610923 /nfs/dbraw/zinc/61/09/23/572610923.db2.gz LKRJDWGJUARHJR-UHFFFAOYSA-N 0 0 290.407 3.260 20 10 CGCDRN CSc1ccccc1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000742767486 572616943 /nfs/dbraw/zinc/61/69/43/572616943.db2.gz MCCFIMQDGCLVMG-PHIMTYICSA-N 0 0 281.446 3.375 20 10 CGCDRN C[C@H]1CCCC[C@H]1CCNC(=O)NCc1ccccc1O ZINC000734067949 572627913 /nfs/dbraw/zinc/62/79/13/572627913.db2.gz BGSCCXYWDWFXTN-KBPBESRZSA-N 0 0 290.407 3.408 20 10 CGCDRN Fc1cc(F)c(NNC(=S)Nc2ccccc2)cc1F ZINC000734310684 572642086 /nfs/dbraw/zinc/64/20/86/572642086.db2.gz DNLZMULPTJLMEZ-UHFFFAOYSA-N 0 0 297.305 3.417 20 10 CGCDRN 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ZINC000749268457 572991377 /nfs/dbraw/zinc/99/13/77/572991377.db2.gz YWTWKQOEUFKJEG-ZRDIBKRKSA-N 0 0 285.318 3.251 20 10 CGCDRN Cc1cccc(C2(C(=O)NCc3ccccc3O)CCC2)c1 ZINC000749529514 573016449 /nfs/dbraw/zinc/01/64/49/573016449.db2.gz DIXMMLUZXBLLEK-UHFFFAOYSA-N 0 0 295.382 3.439 20 10 CGCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1ccc(OC)c(C)c1 ZINC000828800385 601261486 /nfs/dbraw/zinc/26/14/86/601261486.db2.gz VCBDFHJDDZIVTK-UHFFFAOYSA-N 0 0 279.380 3.127 20 10 CGCDRN CCC(CC)C(=O)NCc1cccc(Cl)c1O ZINC000890757934 617814714 /nfs/dbraw/zinc/81/47/14/617814714.db2.gz NJRNGEHEQSBHCD-UHFFFAOYSA-N 0 0 255.745 3.098 20 10 CGCDRN CCC/C=C/C(=O)NCc1cccc(Cl)c1O ZINC000890757514 617814868 /nfs/dbraw/zinc/81/48/68/617814868.db2.gz GRWDZPSIRJVYQC-XBXARRHUSA-N 0 0 253.729 3.018 20 10 CGCDRN O=C(COC1CCCCC1)NCc1cccc(Cl)c1O ZINC000890757543 617814337 /nfs/dbraw/zinc/81/43/37/617814337.db2.gz HHHNLYFFZAKAAC-UHFFFAOYSA-N 0 0 297.782 3.011 20 10 CGCDRN CC(C)CCCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000207040349 617617405 /nfs/dbraw/zinc/61/74/05/617617405.db2.gz JEOQICVYQLZZTO-UHFFFAOYSA-N 0 0 279.380 3.321 20 10 CGCDRN C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)S1 ZINC000120516581 617717501 /nfs/dbraw/zinc/71/75/01/617717501.db2.gz JDCUCFGUHVKCPY-AOOOYVTPSA-N 0 0 271.813 3.371 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)C(C1CC1)C1CC1 ZINC000890759386 617815809 /nfs/dbraw/zinc/81/58/09/617815809.db2.gz AIXGRJHTPSJHBL-UHFFFAOYSA-N 0 0 279.767 3.098 20 10 CGCDRN CC(C)(CC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000890761663 617817213 /nfs/dbraw/zinc/81/72/13/617817213.db2.gz VKGLTDUXQHPNRO-UHFFFAOYSA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(F)cc(F)c1[O-] ZINC000806177921 617818390 /nfs/dbraw/zinc/81/83/90/617818390.db2.gz ABEHEKYLEWRQJV-UWVGGRQHSA-N 0 0 287.375 3.464 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CCC(C(F)F)CC1 ZINC000307882972 618154914 /nfs/dbraw/zinc/15/49/14/618154914.db2.gz VALAWTQXHKGLIA-UHFFFAOYSA-N 0 0 259.271 3.008 20 10 CGCDRN CCCCNc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000022459615 618186096 /nfs/dbraw/zinc/18/60/96/618186096.db2.gz QEEHYXLZVLGXCQ-UHFFFAOYSA-N 0 0 264.350 3.433 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCc3ccc(F)cc32)c1 ZINC000255396188 618287119 /nfs/dbraw/zinc/28/71/19/618287119.db2.gz WRJOAABSQMUEON-DJWKRKHSSA-N 0 0 282.318 3.132 20 10 CGCDRN CC[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000091929874 618369755 /nfs/dbraw/zinc/36/97/55/618369755.db2.gz SQYKBBIKXFCRLH-JTQLQIEISA-N 0 0 284.197 3.387 20 10 CGCDRN COc1ccc(CNc2cc(C)ccc2F)c(O)c1OC ZINC000892301309 618663645 /nfs/dbraw/zinc/66/36/45/618663645.db2.gz XWPDOWQLYUVWOT-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccsc1 ZINC000158761529 618734646 /nfs/dbraw/zinc/73/46/46/618734646.db2.gz AZXRBULUNOZCRI-VIFPVBQESA-N 0 0 251.326 3.444 20 10 CGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C[C@@H]1C ZINC000158783782 618734692 /nfs/dbraw/zinc/73/46/92/618734692.db2.gz VZYYZRQMINAAEC-NTZNESFSSA-N 0 0 251.345 3.446 20 10 CGCDRN Cc1cccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000279957374 618761132 /nfs/dbraw/zinc/76/11/32/618761132.db2.gz CDGICRTWZNEKOQ-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN Cc1ccc(C(=O)Nc2ncc(C(C)C)s2)c(O)c1O ZINC000179521063 618794209 /nfs/dbraw/zinc/79/42/09/618794209.db2.gz GVVLBVIINQSQCE-UHFFFAOYSA-N 0 0 292.360 3.238 20 10 CGCDRN CC(C)(C)c1ncc(C(=O)Nc2ccc(N)cc2)s1 ZINC000236644439 618935645 /nfs/dbraw/zinc/93/56/45/618935645.db2.gz UONISXGKDGLKOY-UHFFFAOYSA-N 0 0 275.377 3.275 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)NC(=O)CO3)c(O)c1 ZINC000314417974 618977931 /nfs/dbraw/zinc/97/79/31/618977931.db2.gz XCMVAZSXBBBLNH-LLVKDONJSA-N 0 0 298.342 3.205 20 10 CGCDRN CCc1cnc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000185583281 619062452 /nfs/dbraw/zinc/06/24/52/619062452.db2.gz UKGVASGKSYHXNQ-SNVBAGLBSA-N 0 0 294.395 3.444 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000776230877 619117278 /nfs/dbraw/zinc/11/72/78/619117278.db2.gz BNNBGFJNNYRFAT-CQSZACIVSA-N 0 0 283.799 3.340 20 10 CGCDRN CC[C@@H](Nc1cccc(CCO)c1)c1ccccc1O ZINC000313136604 619163619 /nfs/dbraw/zinc/16/36/19/619163619.db2.gz AIEHESKTAMVCDK-MRXNPFEDSA-N 0 0 271.360 3.490 20 10 CGCDRN CN(Cc1nccs1)Cc1cc(Cl)ccc1O ZINC000093582374 619204595 /nfs/dbraw/zinc/20/45/95/619204595.db2.gz DJHQWPFFGZTLPP-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN COc1cccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185040381 619222148 /nfs/dbraw/zinc/22/21/48/619222148.db2.gz UHMZJMCVVDTWCF-LBPRGKRZSA-N 0 0 289.350 3.433 20 10 CGCDRN CCc1nc(CNCc2c(O)cc(C)cc2Cl)co1 ZINC000840950863 619254314 /nfs/dbraw/zinc/25/43/14/619254314.db2.gz PJPBLUJAZGBUCI-UHFFFAOYSA-N 0 0 280.755 3.194 20 10 CGCDRN COc1cccc(NCc2cc(C)cc(OC)c2O)c1F ZINC000894480827 619549942 /nfs/dbraw/zinc/54/99/42/619549942.db2.gz QNXSJJMXPPQQQW-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894600704 619584103 /nfs/dbraw/zinc/58/41/03/619584103.db2.gz KTRUIVLYUFTVMT-XCBNKYQSSA-N 0 0 295.251 3.443 20 10 CGCDRN CC[N@H+](Cc1ccncc1)Cc1cc(F)cc(F)c1[O-] ZINC000894762682 619628489 /nfs/dbraw/zinc/62/84/89/619628489.db2.gz XLXGLTLZHKLWRC-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN CSc1ccc(CN2Cc3cccc(O)c3C2)o1 ZINC000895449822 619831322 /nfs/dbraw/zinc/83/13/22/619831322.db2.gz OQHJDDGPRGGCRY-UHFFFAOYSA-N 0 0 261.346 3.223 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847219 619896471 /nfs/dbraw/zinc/89/64/71/619896471.db2.gz NBISRYUNVZUYJN-YGRLFVJLSA-N 0 0 299.773 3.186 20 10 CGCDRN CC[C@@H](C)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896290641 619989654 /nfs/dbraw/zinc/98/96/54/619989654.db2.gz NVUXJXNEXXFJPA-SECBINFHSA-N 0 0 293.388 3.431 20 10 CGCDRN C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1c([O-])cccc1F ZINC000896637536 620041411 /nfs/dbraw/zinc/04/14/11/620041411.db2.gz OOFDSUGKFOTUGS-LBPRGKRZSA-N 0 0 289.350 3.348 20 10 CGCDRN CSC(C)(C)CC[NH2+]Cc1c([O-])cccc1F ZINC000896639913 620041533 /nfs/dbraw/zinc/04/15/33/620041533.db2.gz ZGIYXSSKWGVWRU-UHFFFAOYSA-N 0 0 257.374 3.153 20 10 CGCDRN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000896837753 620074684 /nfs/dbraw/zinc/07/46/84/620074684.db2.gz JHMFAWYURFDJOD-BDAKNGLRSA-N 0 0 291.372 3.183 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000896951741 620111949 /nfs/dbraw/zinc/11/19/49/620111949.db2.gz LLDYLAJDZCOJEX-PSASIEDQSA-N 0 0 273.348 3.044 20 10 CGCDRN CC[C@H](C)N(OC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897042606 620127487 /nfs/dbraw/zinc/12/74/87/620127487.db2.gz LMUOZSJTLVQEOV-QMMMGPOBSA-N 0 0 295.360 3.115 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCCc3cccnc32)ccc(F)c1F ZINC000897071352 620134691 /nfs/dbraw/zinc/13/46/91/620134691.db2.gz AVVKKGPSEXRICA-ZDUSSCGKSA-N 0 0 290.313 3.233 20 10 CGCDRN Nc1ccc(CCNC(=O)NCC2CCCCCC2)cc1 ZINC000841909923 620148590 /nfs/dbraw/zinc/14/85/90/620148590.db2.gz GWJGNIHOPWTZPA-UHFFFAOYSA-N 0 0 289.423 3.081 20 10 CGCDRN CON(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000303018833 620185976 /nfs/dbraw/zinc/18/59/76/620185976.db2.gz OGXGWTVNVLPQCI-UHFFFAOYSA-N 0 0 292.766 3.381 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2cccc(=O)[nH]2)c(Cl)c1 ZINC000897391222 620282541 /nfs/dbraw/zinc/28/25/41/620282541.db2.gz JEUAMBQUNKJQRJ-UHFFFAOYSA-N 0 0 292.766 3.087 20 10 CGCDRN COC[C@H](CC(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219590 620489394 /nfs/dbraw/zinc/48/93/94/620489394.db2.gz ZZMYQDKRXWCCOJ-LBPRGKRZSA-N 0 0 271.788 3.196 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CC=CC[C@H]1C)c1ccccc1O ZINC000898879614 620606219 /nfs/dbraw/zinc/60/62/19/620606219.db2.gz GZUUMGYRZHQAON-MBNYWOFBSA-N 0 0 274.364 3.107 20 10 CGCDRN COC(=O)[C@@H]1CCCC[C@H]1CSc1nccs1 ZINC000901479102 620891746 /nfs/dbraw/zinc/89/17/46/620891746.db2.gz ZUONYVIHHYAXTG-VHSXEESVSA-N 0 0 271.407 3.215 20 10 CGCDRN C[C@H]1CCC[C@@H](CC(=O)NCCc2ccc(N)cc2)C1 ZINC000237518659 620967380 /nfs/dbraw/zinc/96/73/80/620967380.db2.gz JAYONBZPENMNTB-DZGCQCFKSA-N 0 0 274.408 3.144 20 10 CGCDRN CCn1cccc(NCc2c(O)cc(C)cc2Cl)c1=O ZINC000902120733 621159459 /nfs/dbraw/zinc/15/94/59/621159459.db2.gz ZUFYJWATFXCLBH-UHFFFAOYSA-N 0 0 292.766 3.148 20 10 CGCDRN CC[C@@H]([NH2+]Cc1csc(N)n1)c1cccc(Cl)c1[O-] ZINC000902498698 621345593 /nfs/dbraw/zinc/34/55/93/621345593.db2.gz IPQCIGGQUOONEV-LLVKDONJSA-N 0 0 297.811 3.325 20 10 CGCDRN CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(F)cc1[O-] ZINC000903258444 621646013 /nfs/dbraw/zinc/64/60/13/621646013.db2.gz VWNLACYQXQYMEV-AWEZNQCLSA-N 0 0 293.382 3.267 20 10 CGCDRN C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(F)cc1[O-] ZINC000903280141 621660302 /nfs/dbraw/zinc/66/03/02/621660302.db2.gz BCRBCDICRWNSBZ-BSROQFBASA-N 0 0 279.355 3.140 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cccc(Cl)c1[O-] ZINC000903299738 621667729 /nfs/dbraw/zinc/66/77/29/621667729.db2.gz DHEZBTOQBFINGE-BPNCWPANSA-N 0 0 282.815 3.179 20 10 CGCDRN C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903334335 621690082 /nfs/dbraw/zinc/69/00/82/621690082.db2.gz XSHOJDUHKRPUTQ-CXAGYDPISA-N 0 0 296.418 3.345 20 10 CGCDRN C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1c([O-])cccc1F ZINC000903367290 621716509 /nfs/dbraw/zinc/71/65/09/621716509.db2.gz HAPHNKLUPWRHKR-MQIPJXDCSA-N 0 0 291.366 3.141 20 10 CGCDRN CC(C)CC[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000042999504 622025968 /nfs/dbraw/zinc/02/59/68/622025968.db2.gz MEAQNJOCYKEMIZ-CYBMUJFWSA-N 0 0 278.396 3.358 20 10 CGCDRN CC(C)(C)c1ccccc1C(=O)NCc1ccc(O)cc1O ZINC000910949055 622509147 /nfs/dbraw/zinc/50/91/47/622509147.db2.gz DRCCQLRNSZKWIS-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN CCCCCC[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910951828 622509751 /nfs/dbraw/zinc/50/97/51/622509751.db2.gz VYXABUXQINYKHC-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN CCCc1ccc(C(=O)NCc2ccc(O)cc2O)s1 ZINC000910958196 622509904 /nfs/dbraw/zinc/50/99/04/622509904.db2.gz YKURCBLJKXLBTJ-UHFFFAOYSA-N 0 0 291.372 3.042 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1ccc(C2CCC2)cc1 ZINC000910947784 622511883 /nfs/dbraw/zinc/51/18/83/622511883.db2.gz MURXKYIQCIEHLY-UHFFFAOYSA-N 0 0 297.354 3.295 20 10 CGCDRN O=C(CCC1CCCCCC1)NCc1ccc(O)cc1O ZINC000910944943 622511958 /nfs/dbraw/zinc/51/19/58/622511958.db2.gz ZGKAMMGPLPMQQX-UHFFFAOYSA-N 0 0 291.391 3.465 20 10 CGCDRN Nc1ccc(CCNC(=O)C2(C3CCCCC3)CC2)cc1 ZINC000911783211 622550531 /nfs/dbraw/zinc/55/05/31/622550531.db2.gz QXWGWIWODBQWSF-UHFFFAOYSA-N 0 0 286.419 3.288 20 10 CGCDRN C[C@@H]1CC[C@H](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000164481123 622836812 /nfs/dbraw/zinc/83/68/12/622836812.db2.gz BJYLFVALCOXIIP-HIFRSBDPSA-N 0 0 274.408 3.195 20 10 CGCDRN CN(Cc1nc(C2CCCC2)no1)Cc1ccccc1O ZINC000157249541 622892573 /nfs/dbraw/zinc/89/25/73/622892573.db2.gz RRFHYPZZYMHDCO-UHFFFAOYSA-N 0 0 287.363 3.065 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccccc1-n1cccn1 ZINC000226580874 622983508 /nfs/dbraw/zinc/98/35/08/622983508.db2.gz MNKHLEJTTAQVEJ-UHFFFAOYSA-N 0 0 283.306 3.329 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)C(C)C)c1 ZINC000172505630 623252540 /nfs/dbraw/zinc/25/25/40/623252540.db2.gz OAICAIANUNRLDM-RYUDHWBXSA-N 0 0 294.395 3.053 20 10 CGCDRN CC(C)C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N(C)C ZINC000062745407 623264719 /nfs/dbraw/zinc/26/47/19/623264719.db2.gz UNCIAYSXDASZMA-TZMCWYRMSA-N 0 0 282.403 3.158 20 10 CGCDRN Cc1cc(C)c(CC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000913763609 623576385 /nfs/dbraw/zinc/57/63/85/623576385.db2.gz LJVFTMBDDUOFDE-LBPRGKRZSA-N 0 0 289.400 3.490 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]1C ZINC000914506804 623817099 /nfs/dbraw/zinc/81/70/99/623817099.db2.gz UBMUGOKUGPMXCI-CJNGLKHVSA-N 0 0 274.408 3.146 20 10 CGCDRN c1coc(CNc2nnc(Sc3nccs3)s2)c1 ZINC000914862836 623870255 /nfs/dbraw/zinc/87/02/55/623870255.db2.gz SEAKQIKUQPMIAF-UHFFFAOYSA-N 0 0 296.402 3.351 20 10 CGCDRN C/C=C/COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914905199 623875621 /nfs/dbraw/zinc/87/56/21/623875621.db2.gz GNGQJPGMISKJLQ-SNAWJCMRSA-N 0 0 270.332 3.222 20 10 CGCDRN CCc1onc(C)c1CN(C)c1ccc(OC)cc1OC ZINC000930077249 624406297 /nfs/dbraw/zinc/40/62/97/624406297.db2.gz PCCXMMQHWXLFNH-UHFFFAOYSA-N 0 0 290.363 3.199 20 10 CGCDRN Cc1cc(C(=O)NC[C@@H](C)C2CC2)c(C)n1-c1ccccn1 ZINC000920040913 624440646 /nfs/dbraw/zinc/44/06/46/624440646.db2.gz XDSDNBWPUISLKM-GFCCVEGCSA-N 0 0 297.402 3.265 20 10 CGCDRN C=C(Br)CN(C)c1ccc(OC)c(OC)c1 ZINC000064517155 624626057 /nfs/dbraw/zinc/62/60/57/624626057.db2.gz ZWSDQVGJVPICJF-UHFFFAOYSA-N 0 0 286.169 3.049 20 10 CGCDRN Oc1cc2c(cc1CNc1cccc3cccnc31)OCO2 ZINC000238141163 624740318 /nfs/dbraw/zinc/74/03/18/624740318.db2.gz HGUHTDOJECLSAA-UHFFFAOYSA-N 0 0 294.310 3.281 20 10 CGCDRN Cc1cccc(CN(CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000180485625 624752743 /nfs/dbraw/zinc/75/27/43/624752743.db2.gz DTNSGJDXIBWCDZ-UHFFFAOYSA-N 0 0 293.407 3.253 20 10 CGCDRN C[C@H](CCC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181102680 624810131 /nfs/dbraw/zinc/81/01/31/624810131.db2.gz VVHJKHZDRSSPHU-WAFBPQNNSA-N 0 0 291.391 3.442 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183598523 625095736 /nfs/dbraw/zinc/09/57/36/625095736.db2.gz FMJOFLGTACIHHQ-SNVBAGLBSA-N 0 0 288.303 3.049 20 10 CGCDRN CC(C)(/C=C\Cl)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000922645635 626023708 /nfs/dbraw/zinc/02/37/08/626023708.db2.gz TZFDQGNJFLSFDI-ARJAWSKDSA-N 0 0 261.699 3.291 20 10 CGCDRN Cc1cc(C(=O)N2CCC(C)CC2)c(C)n1-c1ccccn1 ZINC000073744024 626040328 /nfs/dbraw/zinc/04/03/28/626040328.db2.gz PDUBMBVWCQRIPC-UHFFFAOYSA-N 0 0 297.402 3.361 20 10 CGCDRN CC[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873723329 634473862 /nfs/dbraw/zinc/47/38/62/634473862.db2.gz KKODRKLWZBTFMP-ZDUSSCGKSA-N 0 0 288.351 3.254 20 10 CGCDRN CCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCC1 ZINC000838313375 626211281 /nfs/dbraw/zinc/21/12/81/626211281.db2.gz WDOGWNHMFSYMQC-QSYFUGGGSA-N 0 0 289.375 3.196 20 10 CGCDRN CC(C)C1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000838559018 626236850 /nfs/dbraw/zinc/23/68/50/626236850.db2.gz HGXQDZLZMXTSAX-CYBMUJFWSA-N 0 0 289.423 3.301 20 10 CGCDRN CCN(CCn1cc(Cl)cn1)c1ccc(OC)cc1 ZINC000838885102 626272256 /nfs/dbraw/zinc/27/22/56/626272256.db2.gz VVVNJTFWEMVVAP-UHFFFAOYSA-N 0 0 279.771 3.072 20 10 CGCDRN CCN(CC)c1ccc(CN2CC(C)(COC)C2)cc1F ZINC000839143887 626323670 /nfs/dbraw/zinc/32/36/70/626323670.db2.gz PAJHMVRFCHPYDE-UHFFFAOYSA-N 0 0 294.414 3.140 20 10 CGCDRN CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806139077 626362597 /nfs/dbraw/zinc/36/25/97/626362597.db2.gz IFOJXJSCBCFQOX-HIFRSBDPSA-N 0 0 285.815 3.493 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(Cl)c1[O-] ZINC000806139747 626367644 /nfs/dbraw/zinc/36/76/44/626367644.db2.gz RGAYFZKXHFXBBN-UKRRQHHQSA-N 0 0 283.799 3.247 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000751533785 626394886 /nfs/dbraw/zinc/39/48/86/626394886.db2.gz RTXSBHXZKUVMFY-LLVKDONJSA-N 0 0 265.353 3.105 20 10 CGCDRN CC(C)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751932612 626412307 /nfs/dbraw/zinc/41/23/07/626412307.db2.gz VOLYJDSTUHUVQP-UHFFFAOYSA-N 0 0 290.388 3.129 20 10 CGCDRN CCc1ccccc1NC(=S)NCc1ncccc1F ZINC000752766280 626438264 /nfs/dbraw/zinc/43/82/64/626438264.db2.gz JHTCIKZOBXSIOG-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN C[C@H]1CC/C(=C/C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000753599411 626457934 /nfs/dbraw/zinc/45/79/34/626457934.db2.gz JIQBNGKQCDVBFP-UZFBZYOGSA-N 0 0 298.430 3.432 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1CC(F)(F)C1 ZINC000754015518 626472284 /nfs/dbraw/zinc/47/22/84/626472284.db2.gz UOBATNKEXMFDIO-UHFFFAOYSA-N 0 0 283.318 3.176 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccc(OC)cc1 ZINC000754071670 626474358 /nfs/dbraw/zinc/47/43/58/626474358.db2.gz SYHZBZRHEDYBQF-KPKJPENVSA-N 0 0 296.370 3.465 20 10 CGCDRN COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000754382690 626570246 /nfs/dbraw/zinc/57/02/46/626570246.db2.gz FPJJTNGHHZTIBQ-AWEZNQCLSA-N 0 0 299.798 3.009 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC(C)C)c1 ZINC000756370875 626697652 /nfs/dbraw/zinc/69/76/52/626697652.db2.gz KNZGVZVXLWNUAZ-GFCCVEGCSA-N 0 0 279.380 3.266 20 10 CGCDRN C[C@H]([NH2+]CCOc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756370442 626697733 /nfs/dbraw/zinc/69/77/33/626697733.db2.gz IPEUNWAJGCLYBD-NSHDSACASA-N 0 0 293.313 3.400 20 10 CGCDRN CCCCOCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756503425 626710713 /nfs/dbraw/zinc/71/07/13/626710713.db2.gz LJEQJRMZJRKDQJ-SNVBAGLBSA-N 0 0 273.323 3.138 20 10 CGCDRN Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])nc2c1 ZINC000756534691 626713025 /nfs/dbraw/zinc/71/30/25/626713025.db2.gz MRXKQZCYFOHXJY-LBPRGKRZSA-N 0 0 299.349 3.338 20 10 CGCDRN C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000756556990 626714333 /nfs/dbraw/zinc/71/43/33/626714333.db2.gz ZAJPOHGPRSBOEQ-MJBXVCDLSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756586722 626718653 /nfs/dbraw/zinc/71/86/53/626718653.db2.gz TZAGUWSYFFEYMZ-MEBBXXQBSA-N 0 0 293.313 3.055 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000756595088 626719102 /nfs/dbraw/zinc/71/91/02/626719102.db2.gz TUSYQDKQIRKBKU-VXGBXAGGSA-N 0 0 279.380 3.122 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(F)cc1[O-] ZINC000756637016 626722906 /nfs/dbraw/zinc/72/29/06/626722906.db2.gz YTOSZGXEBDRJNJ-NWDGAFQWSA-N 0 0 274.339 3.208 20 10 CGCDRN CN(Cc1ccc(F)cc1F)c1ccc2c(c1)OCO2 ZINC000756655443 626724566 /nfs/dbraw/zinc/72/45/66/626724566.db2.gz TYSRNBGGHOWYLV-UHFFFAOYSA-N 0 0 277.270 3.330 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000756710159 626727038 /nfs/dbraw/zinc/72/70/38/626727038.db2.gz BKGVQSFKRBRBFJ-ZUZCIYMTSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000756710156 626727318 /nfs/dbraw/zinc/72/73/18/626727318.db2.gz BKGVQSFKRBRBFJ-BMIGLBTASA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756770993 626730687 /nfs/dbraw/zinc/73/06/87/626730687.db2.gz QFFYTBWFKGJGHL-MWLCHTKSSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756770994 626730783 /nfs/dbraw/zinc/73/07/83/626730783.db2.gz QFFYTBWFKGJGHL-ONGXEEELSA-N 0 0 285.334 3.279 20 10 CGCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756785276 626731751 /nfs/dbraw/zinc/73/17/51/626731751.db2.gz CFBFJEFINCNXJY-YODMDTAWSA-N 0 0 293.382 3.484 20 10 CGCDRN CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756791253 626732705 /nfs/dbraw/zinc/73/27/05/626732705.db2.gz RCMJDRRYBWCKQQ-MEBBXXQBSA-N 0 0 299.361 3.118 20 10 CGCDRN CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124801096 634514552 /nfs/dbraw/zinc/51/45/52/634514552.db2.gz ACZIWYFBORTZKD-ZDUSSCGKSA-N 0 0 284.831 3.112 20 10 CGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CC[C@@H](C)O1)CCC2 ZINC000839656754 626770961 /nfs/dbraw/zinc/77/09/61/626770961.db2.gz RXNWPSAPCAVNEJ-OCCSQVGLSA-N 0 0 291.391 3.024 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000757637557 626796571 /nfs/dbraw/zinc/79/65/71/626796571.db2.gz JPLXTIUAFNPWGX-CMPLNLGQSA-N 0 0 285.334 3.280 20 10 CGCDRN Cc1noc(C)c1N(C)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000759228570 626882759 /nfs/dbraw/zinc/88/27/59/626882759.db2.gz DIEJGWGXKOQLNV-ALCCZGGFSA-N 0 0 291.738 3.016 20 10 CGCDRN CCN(C(=O)NCCCSc1nccs1)C1CCC1 ZINC000759590298 626907957 /nfs/dbraw/zinc/90/79/57/626907957.db2.gz ISYPUBKWXWXSLH-UHFFFAOYSA-N 0 0 299.465 3.209 20 10 CGCDRN COc1ccc(NCc2cc(Cl)cc(OC)c2O)nc1 ZINC000761214236 627025375 /nfs/dbraw/zinc/02/53/75/627025375.db2.gz AHFWBULPJVMLKU-UHFFFAOYSA-N 0 0 294.738 3.070 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000761226472 627027406 /nfs/dbraw/zinc/02/74/06/627027406.db2.gz QHPGRANRHSPAIU-UHFFFAOYSA-N 0 0 299.773 3.187 20 10 CGCDRN Cc1[nH]nc2ncc(NCc3c(O)cccc3Cl)cc12 ZINC000765944922 627280122 /nfs/dbraw/zinc/28/01/22/627280122.db2.gz WIMKUFFVYSANQT-UHFFFAOYSA-N 0 0 288.738 3.237 20 10 CGCDRN CC/C=C\CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000767578020 627418202 /nfs/dbraw/zinc/41/82/02/627418202.db2.gz USUBRNCBCNURID-GAWLIRPZSA-N 0 0 262.305 3.011 20 10 CGCDRN Cc1oc2ccccc2c1CC(=O)NCc1ccccc1O ZINC000768286530 627472464 /nfs/dbraw/zinc/47/24/64/627472464.db2.gz MVKKOWCQWXMUML-UHFFFAOYSA-N 0 0 295.338 3.306 20 10 CGCDRN CC1(C)CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769245419 627533142 /nfs/dbraw/zinc/53/31/42/627533142.db2.gz RJJALGXNSDLLCW-UHFFFAOYSA-N 0 0 284.743 3.328 20 10 CGCDRN COc1cccc(O)c1C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000769451194 627554531 /nfs/dbraw/zinc/55/45/31/627554531.db2.gz JDIZWOLCRYQCHR-QWHCGFSZSA-N 0 0 263.381 3.411 20 10 CGCDRN CCN(CCO[C@@H]1CCCCO1)c1ccc(OC)cc1 ZINC000769746942 627576021 /nfs/dbraw/zinc/57/60/21/627576021.db2.gz MNXSGHKZNHDOOA-MRXNPFEDSA-N 0 0 279.380 3.065 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000770284407 627611890 /nfs/dbraw/zinc/61/18/90/627611890.db2.gz QGKWZCCXZZASQZ-BDAKNGLRSA-N 0 0 284.743 3.184 20 10 CGCDRN COCC[N@H+](Cc1cccs1)Cc1ccccc1O ZINC000770509102 627623301 /nfs/dbraw/zinc/62/33/01/627623301.db2.gz IECJEZGEAQGISJ-UHFFFAOYSA-N 0 0 277.389 3.102 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc(OC)c(OC)c1 ZINC000772597567 627805659 /nfs/dbraw/zinc/80/56/59/627805659.db2.gz HMNWFBRDORIFTC-UHFFFAOYSA-N 0 0 299.370 3.275 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCCCS1)c1ccc(N(C)C)cc1 ZINC000772997354 627839473 /nfs/dbraw/zinc/83/94/73/627839473.db2.gz HHFZSOPFSXKBIS-IUODEOHRSA-N 0 0 292.448 3.216 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773010342 627841993 /nfs/dbraw/zinc/84/19/93/627841993.db2.gz ONYSFIGSVCKATR-LBPRGKRZSA-N 0 0 272.348 3.145 20 10 CGCDRN CC/C=C(\C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773012326 627842104 /nfs/dbraw/zinc/84/21/04/627842104.db2.gz UVGXIYNRMBVBNJ-BWODNOAJSA-N 0 0 260.381 3.286 20 10 CGCDRN C[C@H](NC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773018025 627843231 /nfs/dbraw/zinc/84/32/31/627843231.db2.gz GHGSRXXTFQKAFL-LBPRGKRZSA-N 0 0 286.350 3.383 20 10 CGCDRN C[C@H](NC(=O)C1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773017343 627843239 /nfs/dbraw/zinc/84/32/39/627843239.db2.gz DVCJGICEDAWFFB-LBPRGKRZSA-N 0 0 292.448 3.073 20 10 CGCDRN CC[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773612395 627899843 /nfs/dbraw/zinc/89/98/43/627899843.db2.gz MIONRZYRYVBERG-HIFRSBDPSA-N 0 0 289.423 3.398 20 10 CGCDRN C[C@H](c1ccncc1)N1CCOc2cc(N(C)C)ccc21 ZINC000774754510 628024639 /nfs/dbraw/zinc/02/46/39/628024639.db2.gz UTDZYCXJIKIUHC-CYBMUJFWSA-N 0 0 283.375 3.108 20 10 CGCDRN COc1c([O-])c(C[NH2+]C[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775015681 628053803 /nfs/dbraw/zinc/05/38/03/628053803.db2.gz VKRXBXBEUKGJKG-SNVBAGLBSA-N 0 0 296.367 3.081 20 10 CGCDRN CC1(C)CCCN(CC[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000775184841 628070507 /nfs/dbraw/zinc/07/05/07/628070507.db2.gz RXJRMYSHDHOPFH-UHFFFAOYSA-N 0 0 296.842 3.257 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc2c(c1)ncn2C ZINC000775631103 628116852 /nfs/dbraw/zinc/11/68/52/628116852.db2.gz PJLOEGFUKYNXOT-UHFFFAOYSA-N 0 0 293.370 3.145 20 10 CGCDRN COCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)C ZINC000775656553 628121464 /nfs/dbraw/zinc/12/14/64/628121464.db2.gz KCCBCTWLKZKENC-UHFFFAOYSA-N 0 0 289.778 3.289 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000775736723 628131056 /nfs/dbraw/zinc/13/10/56/628131056.db2.gz IVOHHIQOTBEROK-BDAKNGLRSA-N 0 0 257.736 3.415 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000775738555 628131157 /nfs/dbraw/zinc/13/11/57/628131157.db2.gz HFPIBPHKGSHNTI-TZMCWYRMSA-N 0 0 295.810 3.294 20 10 CGCDRN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776173694 628176226 /nfs/dbraw/zinc/17/62/26/628176226.db2.gz GEYIFGWWIWVPBJ-NSHDSACASA-N 0 0 291.778 3.472 20 10 CGCDRN C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000776240521 628183630 /nfs/dbraw/zinc/18/36/30/628183630.db2.gz YXLNVQXYMPROCS-MCIONIFRSA-N 0 0 289.423 3.396 20 10 CGCDRN CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000776252496 628184536 /nfs/dbraw/zinc/18/45/36/628184536.db2.gz BRGVSBIEGUMVFJ-VXGBXAGGSA-N 0 0 269.772 3.093 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(F)cn1 ZINC000776251354 628184778 /nfs/dbraw/zinc/18/47/78/628184778.db2.gz CCSGYGMEYYJHBH-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000776339875 628195414 /nfs/dbraw/zinc/19/54/14/628195414.db2.gz CMENOIRHQFXTKV-HOCLYGCPSA-N 0 0 286.419 3.339 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000776476845 628212979 /nfs/dbraw/zinc/21/29/79/628212979.db2.gz PDSRCFPIVMUPLM-GHMZBOCLSA-N 0 0 284.450 3.178 20 10 CGCDRN Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(O)c2O)c1 ZINC000776652533 628224353 /nfs/dbraw/zinc/22/43/53/628224353.db2.gz NLZQCXMCMOMZMN-LBPRGKRZSA-N 0 0 285.343 3.206 20 10 CGCDRN O=C(/C=C\c1cncc(O)c1)N1CCCCc2ccccc21 ZINC000779662926 628419682 /nfs/dbraw/zinc/41/96/82/628419682.db2.gz DMOCRXGYBRDYIS-HJWRWDBZSA-N 0 0 294.354 3.170 20 10 CGCDRN CC[C@H]1C[C@@H](CN(C)c2ccc3c(c2)OCO3)CCO1 ZINC000780778728 628516960 /nfs/dbraw/zinc/51/69/60/628516960.db2.gz QORYESDHJYOWAQ-JSGCOSHPSA-N 0 0 277.364 3.057 20 10 CGCDRN Cc1ccc(C(=O)Nc2cncc3ccccc32)c(O)c1O ZINC000781000733 628529340 /nfs/dbraw/zinc/52/93/40/628529340.db2.gz WJLVVLLRYOCBCU-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN CCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781898362 628603478 /nfs/dbraw/zinc/60/34/78/628603478.db2.gz YEHNIUSXFCXLPA-UHFFFAOYSA-N 0 0 272.186 3.305 20 10 CGCDRN CCN1C(=O)/C(=C/c2scnc2C2CC2)SC1=S ZINC000782303392 628637090 /nfs/dbraw/zinc/63/70/90/628637090.db2.gz XZSBUUKNDWKHPH-UITAMQMPSA-N 0 0 296.442 3.242 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cnccc2C)c1 ZINC000783958462 628760257 /nfs/dbraw/zinc/76/02/57/628760257.db2.gz SVNWUXOKUREMIC-BQYQJAHWSA-N 0 0 266.344 3.375 20 10 CGCDRN CN(C)c1ccc(CN(CCCO)c2ccccc2)cc1 ZINC000785703874 628882102 /nfs/dbraw/zinc/88/21/02/628882102.db2.gz WROAJAYXVKDTEY-UHFFFAOYSA-N 0 0 284.403 3.142 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC[C@H]1CCCO1 ZINC000787163615 628996976 /nfs/dbraw/zinc/99/69/76/628996976.db2.gz WIDGAXFVMXJCIM-CQSZACIVSA-N 0 0 261.365 3.017 20 10 CGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1cc2ccccc2o1 ZINC000787411718 629011402 /nfs/dbraw/zinc/01/14/02/629011402.db2.gz VNTSXUHZKXMDJV-JTQLQIEISA-N 0 0 297.310 3.335 20 10 CGCDRN CO[C@@H](CC[NH2+]Cc1cccc(Cl)c1[O-])C(F)(F)F ZINC000787418417 629011425 /nfs/dbraw/zinc/01/14/25/629011425.db2.gz UNYZMMHNPCPBRI-JTQLQIEISA-N 0 0 297.704 3.103 20 10 CGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccsc1 ZINC000875566143 634711671 /nfs/dbraw/zinc/71/16/71/634711671.db2.gz VFSIKMRIXITULO-JTQLQIEISA-N 0 0 288.372 3.240 20 10 CGCDRN O=C(NC1CCCCCCC1)c1c(F)ccc(O)c1O ZINC000789940462 629175946 /nfs/dbraw/zinc/17/59/46/629175946.db2.gz AKNPIFNHRYAKNC-UHFFFAOYSA-N 0 0 281.327 3.080 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000790494409 629213606 /nfs/dbraw/zinc/21/36/06/629213606.db2.gz DMSHNBKFJLNPJR-BDAKNGLRSA-N 0 0 273.348 3.074 20 10 CGCDRN CCCc1nc(C)c(NC(=O)c2cccc(O)c2O)s1 ZINC000790946441 629242246 /nfs/dbraw/zinc/24/22/46/629242246.db2.gz RGZIJQMCIDQJKE-UHFFFAOYSA-N 0 0 292.360 3.068 20 10 CGCDRN CCN(CC)C[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790959609 629243504 /nfs/dbraw/zinc/24/35/04/629243504.db2.gz JDJFKVHOOSPSBR-SNVBAGLBSA-N 0 0 288.794 3.005 20 10 CGCDRN C[C@H]1C[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790980869 629245748 /nfs/dbraw/zinc/24/57/48/629245748.db2.gz GGTSCZQMTIWKCA-UWVGGRQHSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000790988779 629246816 /nfs/dbraw/zinc/24/68/16/629246816.db2.gz AQPNSQCJKMTZCI-UWVGGRQHSA-N 0 0 287.762 3.089 20 10 CGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])ccc(Cl)c3F)C[C@@H]21 ZINC000792166875 629343726 /nfs/dbraw/zinc/34/37/26/629343726.db2.gz UZBVQDQRLNGTMI-AOOOYVTPSA-N 0 0 269.747 3.273 20 10 CGCDRN CN(C)c1cc(F)c(CN(C)CC2=CCSC2)cc1F ZINC000862417717 629368462 /nfs/dbraw/zinc/36/84/62/629368462.db2.gz GZPZYPKRDWEPOO-UHFFFAOYSA-N 0 0 298.402 3.136 20 10 CGCDRN CCC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OCC ZINC000862435266 629371813 /nfs/dbraw/zinc/37/18/13/629371813.db2.gz TWERWGVALORLNN-NSHDSACASA-N 0 0 289.778 3.480 20 10 CGCDRN CCOc1ccc(CNc2cnc3ccccc3n2)c(O)c1 ZINC000792695477 629376538 /nfs/dbraw/zinc/37/65/38/629376538.db2.gz OWSDZNIKTZPSIL-UHFFFAOYSA-N 0 0 295.342 3.346 20 10 CGCDRN CCC(NC(=O)C1=CC(=O)CS1)(C1CC1)C1CC1 ZINC000862688423 629422878 /nfs/dbraw/zinc/42/28/78/629422878.db2.gz XBMRYDMVSUYBQV-UHFFFAOYSA-N 0 0 265.378 3.152 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CC[C@@H](C)C2)c1 ZINC000862758289 629430715 /nfs/dbraw/zinc/43/07/15/629430715.db2.gz VVMGAZOIPNWXLL-YPMHNXCESA-N 0 0 261.365 3.143 20 10 CGCDRN CCn1c(C)cc(C(=O)NCc2cc(C)ccc2O)c1C ZINC000862759751 629431122 /nfs/dbraw/zinc/43/11/22/629431122.db2.gz KOUKXLWJVWBUIC-UHFFFAOYSA-N 0 0 286.375 3.069 20 10 CGCDRN CC[C@H](CC(=O)NCc1cc(C)ccc1O)C(C)C ZINC000862760976 629431785 /nfs/dbraw/zinc/43/17/85/629431785.db2.gz YNTRWYKUHVBMQC-CYBMUJFWSA-N 0 0 263.381 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2(c3ccccc3)CC2)c1 ZINC000862760337 629431915 /nfs/dbraw/zinc/43/19/15/629431915.db2.gz PNXJDIKNDQOSDQ-UHFFFAOYSA-N 0 0 281.355 3.049 20 10 CGCDRN Cc1cc(Cl)cc(CNC(C)(C)C(F)F)c1O ZINC000793253191 629436153 /nfs/dbraw/zinc/43/61/53/629436153.db2.gz ACYYFMKNCFUNBA-UHFFFAOYSA-N 0 0 263.715 3.487 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c(O)c1O ZINC000794274658 629528335 /nfs/dbraw/zinc/52/83/35/629528335.db2.gz MIDUGENYIUETSI-LLVKDONJSA-N 0 0 277.364 3.057 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000794389987 629539373 /nfs/dbraw/zinc/53/93/73/629539373.db2.gz VRFZYZBNGWMXTK-DOMZBBRYSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1nccc(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000794428228 629542530 /nfs/dbraw/zinc/54/25/30/629542530.db2.gz XRJBXEPKRZHLKY-UHFFFAOYSA-N 0 0 296.399 3.478 20 10 CGCDRN CCc1cccc(C)c1NC(=O)CN(C)c1ccc(N)cc1 ZINC000863556243 629604575 /nfs/dbraw/zinc/60/45/75/629604575.db2.gz PBTRSUROLLFTSD-UHFFFAOYSA-N 0 0 297.402 3.215 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000795269464 629654356 /nfs/dbraw/zinc/65/43/56/629654356.db2.gz DSGGANOTTFRIGX-YPMHNXCESA-N 0 0 296.361 3.365 20 10 CGCDRN COc1ccc(CNc2nc(-c3ccccc3)no2)c(O)c1 ZINC000795291897 629657292 /nfs/dbraw/zinc/65/72/92/629657292.db2.gz GYGCMFFZJGLYPO-UHFFFAOYSA-N 0 0 297.314 3.063 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1cccc(-n3nccn3)c1)CC2 ZINC000864021550 629728860 /nfs/dbraw/zinc/72/88/60/629728860.db2.gz CVFHGPYUPSHIJU-HNNXBMFYSA-N 0 0 292.342 3.072 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cccc(-n3nccn3)c2)c1 ZINC000864024518 629730600 /nfs/dbraw/zinc/73/06/00/629730600.db2.gz ZEHRCDLZGZAWLU-ZDUSSCGKSA-N 0 0 294.358 3.454 20 10 CGCDRN COc1ccc(NCc2cccc(C)c2O)c(F)c1 ZINC000864042426 629737237 /nfs/dbraw/zinc/73/72/37/629737237.db2.gz LMOLEKQVZJSTAR-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN C[C@@H]1CSC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796482026 629788585 /nfs/dbraw/zinc/78/85/85/629788585.db2.gz JXOLVIYQZRHKIH-GMSGAONNSA-N 0 0 275.776 3.026 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(F)cc1[O-] ZINC000796683793 629814418 /nfs/dbraw/zinc/81/44/18/629814418.db2.gz PGLJUZFFWILNLE-MRXNPFEDSA-N 0 0 294.414 3.448 20 10 CGCDRN CC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)c1ccc(F)cc1[O-] ZINC000796745965 629824099 /nfs/dbraw/zinc/82/40/99/629824099.db2.gz UJEGUIHKGXAGIN-SWLSCSKDSA-N 0 0 282.403 3.302 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ncccc1F)c1ccc(F)cc1[O-] ZINC000796840267 629845933 /nfs/dbraw/zinc/84/59/33/629845933.db2.gz MMYYGGOHSNQVQT-CYBMUJFWSA-N 0 0 278.302 3.306 20 10 CGCDRN C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000797065574 629880631 /nfs/dbraw/zinc/88/06/31/629880631.db2.gz LZVNEQCEAGEVEP-UBJUHAIHSA-N 0 0 273.348 3.073 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1csc(C)n1 ZINC000797719711 629979024 /nfs/dbraw/zinc/97/90/24/629979024.db2.gz RFNSZZLQDXGDRA-UHFFFAOYSA-N 0 0 274.389 3.413 20 10 CGCDRN CCc1occc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000797745227 629979620 /nfs/dbraw/zinc/97/96/20/629979620.db2.gz YMQUZBFQKVGSBL-JTQLQIEISA-N 0 0 289.331 3.047 20 10 CGCDRN CCOC(=O)c1c(C)ccnc1CSc1nccs1 ZINC000865352449 630069082 /nfs/dbraw/zinc/06/90/82/630069082.db2.gz MLAHOUHLANGIMX-UHFFFAOYSA-N 0 0 294.401 3.316 20 10 CGCDRN CCCCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125766546 634790855 /nfs/dbraw/zinc/79/08/55/634790855.db2.gz XJJGFSWCHZJZIZ-UHFFFAOYSA-N 0 0 267.369 3.339 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NOCC(C)C ZINC000802259580 630389108 /nfs/dbraw/zinc/38/91/08/630389108.db2.gz UXIDPOFAYGUZKN-UHFFFAOYSA-N 0 0 294.395 3.292 20 10 CGCDRN Oc1ccc(F)cc1CN1CCOc2cccc(F)c2C1 ZINC000802656218 630403289 /nfs/dbraw/zinc/40/32/89/630403289.db2.gz MDNLZIUHPVIWRV-UHFFFAOYSA-N 0 0 291.297 3.065 20 10 CGCDRN CN(Cc1ccccc1O)c1c(F)cccc1[N+](=O)[O-] ZINC000804579143 630538771 /nfs/dbraw/zinc/53/87/71/630538771.db2.gz UONOWWNJBVFQTN-UHFFFAOYSA-N 0 0 276.267 3.076 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(Cl)c1[O-] ZINC000806147416 630548892 /nfs/dbraw/zinc/54/88/92/630548892.db2.gz XCCOTCHJINDHJO-KGLIPLIRSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc(Cl)c1[O-] ZINC000806149915 630549350 /nfs/dbraw/zinc/54/93/50/630549350.db2.gz ZHNDCPCMMPPBBZ-FZMZJTMJSA-N 0 0 283.799 3.247 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]1C ZINC000807555442 630592617 /nfs/dbraw/zinc/59/26/17/630592617.db2.gz ASHGIRFAMRVFJM-GXTWGEPZSA-N 0 0 276.380 3.112 20 10 CGCDRN Cc1cc2c(cc1C)N(C(=O)C1=CC(=O)CS1)CC2 ZINC000807679532 630596901 /nfs/dbraw/zinc/59/69/01/630596901.db2.gz IGOQKBQJCSSHPB-UHFFFAOYSA-N 0 0 273.357 3.273 20 10 CGCDRN Cc1cc(NCc2cc(Cl)cc(Cl)c2[O-])cc[nH+]1 ZINC000808090311 630621595 /nfs/dbraw/zinc/62/15/95/630621595.db2.gz YNFQEQKIXNLDAB-UHFFFAOYSA-N 0 0 283.158 3.436 20 10 CGCDRN O=C1OCc2c1cccc2NCc1cc(Cl)ccc1O ZINC000809791085 630810828 /nfs/dbraw/zinc/81/08/28/630810828.db2.gz TXKGHWYKDVSASV-UHFFFAOYSA-N 0 0 289.718 3.328 20 10 CGCDRN Cc1cccc(CNC2(C(F)F)CCCC2)c1O ZINC000809789777 630811134 /nfs/dbraw/zinc/81/11/34/630811134.db2.gz FLPQMGXMMTZXHO-UHFFFAOYSA-N 0 0 255.308 3.368 20 10 CGCDRN Cn1nc(NCc2c(O)ccc(Cl)c2F)cc1C1CC1 ZINC000810166105 630849577 /nfs/dbraw/zinc/84/95/77/630849577.db2.gz LNPFVOIBRGXZTI-UHFFFAOYSA-N 0 0 295.745 3.408 20 10 CGCDRN C[C@@H](NC(=O)C1(CCF)CC1)c1ccc(N(C)C)cc1 ZINC000810686843 630927790 /nfs/dbraw/zinc/92/77/90/630927790.db2.gz BUFSCRUTDKLIIS-GFCCVEGCSA-N 0 0 278.371 3.070 20 10 CGCDRN COc1ccc(O)c(CNc2c(C)cccc2[N+](=O)[O-])c1 ZINC000811806235 631121271 /nfs/dbraw/zinc/12/12/71/631121271.db2.gz NBUJCXXHBYSQFF-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN Cc1nc2ccccc2nc1NCCc1ccc(O)c(O)c1 ZINC000811810931 631121866 /nfs/dbraw/zinc/12/18/66/631121866.db2.gz JFUNCCUDSSIKLY-UHFFFAOYSA-N 0 0 295.342 3.004 20 10 CGCDRN CC1(C2CC2)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000812273790 631235535 /nfs/dbraw/zinc/23/55/35/631235535.db2.gz KAGXRVQVIGWCPR-UHFFFAOYSA-N 0 0 265.378 3.106 20 10 CGCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2ccc(N)cc2)c1 ZINC000876527775 634850921 /nfs/dbraw/zinc/85/09/21/634850921.db2.gz FBJUABIPAHRMJW-ZWKOTPCHSA-N 0 0 294.398 3.040 20 10 CGCDRN Cc1cc(CSc2ncc(-c3ccccc3)n2C)ncn1 ZINC000813568636 631436344 /nfs/dbraw/zinc/43/63/44/631436344.db2.gz OANZAJXVFFAJJY-UHFFFAOYSA-N 0 0 296.399 3.478 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NOC[C@H](C)CC ZINC000813824594 631464590 /nfs/dbraw/zinc/46/45/90/631464590.db2.gz PIOYRUHZGUVOOR-CYBMUJFWSA-N 0 0 294.395 3.292 20 10 CGCDRN CCc1ccc(CN(C)c2ccc(OC)c(OC)c2)nc1 ZINC000815024033 631704977 /nfs/dbraw/zinc/70/49/77/631704977.db2.gz PUWKHWWDXSAPAE-UHFFFAOYSA-N 0 0 286.375 3.298 20 10 CGCDRN Oc1cccc(CNCc2ccc3c(c2)CCO3)c1Cl ZINC000815122714 631722872 /nfs/dbraw/zinc/72/28/72/631722872.db2.gz OVOKLRFRYVZFSP-UHFFFAOYSA-N 0 0 289.762 3.270 20 10 CGCDRN COCC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815572961 631797866 /nfs/dbraw/zinc/79/78/66/631797866.db2.gz UCHWEMSIIMZQPV-VHSXEESVSA-N 0 0 291.313 3.487 20 10 CGCDRN Cc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])[nH]n1 ZINC000815581837 631800299 /nfs/dbraw/zinc/80/02/99/631800299.db2.gz QPSUPYWZNOUXFM-VIFPVBQESA-N 0 0 299.296 3.293 20 10 CGCDRN COc1cccc(CNC(=O)C(C)(C)C(C)(C)C)c1O ZINC000815834509 631827414 /nfs/dbraw/zinc/82/74/14/631827414.db2.gz MAQBCZYASUKCGS-UHFFFAOYSA-N 0 0 279.380 3.089 20 10 CGCDRN C[C@H](NC(=O)[C@H](C)C(C)(F)F)c1ccc(N(C)C)cc1 ZINC000816180527 631896010 /nfs/dbraw/zinc/89/60/10/631896010.db2.gz RWHCEXLBDGFJEN-QWRGUYRKSA-N 0 0 284.350 3.221 20 10 CGCDRN CCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC(C)(C)O ZINC000816504484 631995468 /nfs/dbraw/zinc/99/54/68/631995468.db2.gz OZRYACAEFYJIFJ-UHFFFAOYSA-N 0 0 289.778 3.168 20 10 CGCDRN Oc1cc(F)c(Cl)cc1CNc1ccccn1 ZINC000816536560 632005856 /nfs/dbraw/zinc/00/58/56/632005856.db2.gz CHZKLQCDEAFMHK-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1O ZINC000816545111 632007811 /nfs/dbraw/zinc/00/78/11/632007811.db2.gz DQVCNPZEBOKYHJ-UHFFFAOYSA-N 0 0 281.714 3.180 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816555060 632009864 /nfs/dbraw/zinc/00/98/64/632009864.db2.gz RXIBWNRWEPZTBT-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN CO[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000816554348 632009872 /nfs/dbraw/zinc/00/98/72/632009872.db2.gz WBHMFUHHVUNREU-CYBMUJFWSA-N 0 0 289.778 3.335 20 10 CGCDRN CC(C)(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816558161 632011673 /nfs/dbraw/zinc/01/16/73/632011673.db2.gz OYCITFMWCQVEEK-JTQLQIEISA-N 0 0 289.778 3.071 20 10 CGCDRN CC[C@H](CSC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560757 632012911 /nfs/dbraw/zinc/01/29/11/632012911.db2.gz ZQGPDGSQCHIVBH-SECBINFHSA-N 0 0 277.792 3.416 20 10 CGCDRN Cc1nocc1CN(C)c1ccc(OC(C)C)cc1 ZINC000816592108 632018962 /nfs/dbraw/zinc/01/89/62/632018962.db2.gz YGSVDVKQEMUCSW-UHFFFAOYSA-N 0 0 260.337 3.407 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648980 632035956 /nfs/dbraw/zinc/03/59/56/632035956.db2.gz RNQMJYYPQGHZLE-NXEZZACHSA-N 0 0 284.197 3.303 20 10 CGCDRN Oc1ccc(Cl)cc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666667 632040107 /nfs/dbraw/zinc/04/01/07/632040107.db2.gz SROANKNXTXHFIH-JKSUJKDBSA-N 0 0 293.794 3.189 20 10 CGCDRN Oc1ccc(Cl)cc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666664 632040368 /nfs/dbraw/zinc/04/03/68/632040368.db2.gz SROANKNXTXHFIH-CVEARBPZSA-N 0 0 293.794 3.189 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817533615 632180607 /nfs/dbraw/zinc/18/06/07/632180607.db2.gz PWNSNDSDVUGEJN-IJLUTSLNSA-N 0 0 296.461 3.178 20 10 CGCDRN CC[C@@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944568 632241706 /nfs/dbraw/zinc/24/17/06/632241706.db2.gz HAXOFCJCKMEDGQ-JOYOIKCWSA-N 0 0 289.206 3.102 20 10 CGCDRN C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000819196837 632399563 /nfs/dbraw/zinc/39/95/63/632399563.db2.gz TURHWQGJHMAEDB-GXTWGEPZSA-N 0 0 292.398 3.334 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)[C@@H](C)CC ZINC000819761663 632509485 /nfs/dbraw/zinc/50/94/85/632509485.db2.gz YPRDKLBTZXLGLN-RYUDHWBXSA-N 0 0 284.396 3.176 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c(C)n1-c1ccccn1 ZINC000819796263 632516454 /nfs/dbraw/zinc/51/64/54/632516454.db2.gz ZRFLOFXAIUSHMW-QDMKHBRRSA-N 0 0 295.386 3.017 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820329616 632607152 /nfs/dbraw/zinc/60/71/52/632607152.db2.gz LDKKLOBMSLELBJ-QWRGUYRKSA-N 0 0 290.367 3.404 20 10 CGCDRN CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820777052 632675795 /nfs/dbraw/zinc/67/57/95/632675795.db2.gz RVPUVHFBATWCHV-ZWNOBZJWSA-N 0 0 288.351 3.158 20 10 CGCDRN CC(C)(C)c1cnc(SCC[C@H]2CCNC2=O)s1 ZINC000821084102 632723950 /nfs/dbraw/zinc/72/39/50/632723950.db2.gz LAFGYZMIARGQEN-SECBINFHSA-N 0 0 284.450 3.059 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(N3CCCC3=O)c2)c1 ZINC000103855107 632744799 /nfs/dbraw/zinc/74/47/99/632744799.db2.gz KLMRIEIPSGGOKZ-UHFFFAOYSA-N 0 0 296.370 3.440 20 10 CGCDRN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821540792 632792773 /nfs/dbraw/zinc/79/27/73/632792773.db2.gz OZUFRBGISPDKGU-GWCFXTLKSA-N 0 0 288.351 3.252 20 10 CGCDRN CCn1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000822083349 632864254 /nfs/dbraw/zinc/86/42/54/632864254.db2.gz VZVVWMOTLYEXAO-ZDUSSCGKSA-N 0 0 299.418 3.373 20 10 CGCDRN C[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000822226647 632886724 /nfs/dbraw/zinc/88/67/24/632886724.db2.gz BLAUMBZSCOGMSL-GUYCJALGSA-N 0 0 274.408 3.195 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)CC=CCC2)cc1 ZINC000822226864 632886733 /nfs/dbraw/zinc/88/67/33/632886733.db2.gz KSVAMHDFGCKNHA-QGZVFWFLSA-N 0 0 272.392 3.115 20 10 CGCDRN CCOc1ccc(N(C)Cc2nc(C(F)F)no2)cc1 ZINC000822633803 632992860 /nfs/dbraw/zinc/99/28/60/632992860.db2.gz CBEGAEXBYDKGKH-UHFFFAOYSA-N 0 0 283.278 3.042 20 10 CGCDRN CCCC(=O)c1ncccc1N1Cc2cccc(O)c2C1 ZINC000866116860 633003970 /nfs/dbraw/zinc/00/39/70/633003970.db2.gz CTOCIIAITIICAY-UHFFFAOYSA-N 0 0 282.343 3.290 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC(C)(C)C ZINC000840478255 633087420 /nfs/dbraw/zinc/08/74/20/633087420.db2.gz FHOWVRIMDAZGIH-CYBMUJFWSA-N 0 0 291.439 3.090 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000866598609 633206559 /nfs/dbraw/zinc/20/65/59/633206559.db2.gz JUIZCEKQYQVICT-ARLBYUKCSA-N 0 0 287.403 3.423 20 10 CGCDRN CC(C)OC1(C(=O)NCc2cc(Cl)ccc2O)CCC1 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YJEYTOWBGAQYGJ-GFCCVEGCSA-N 0 0 281.425 3.168 20 10 CGCDRN CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841299132 635149821 /nfs/dbraw/zinc/14/98/21/635149821.db2.gz GHIIHQNJOPDVIP-KGLIPLIRSA-N 0 0 293.436 3.455 20 10 CGCDRN COC(=O)c1cnc(SC[C@H](CC(C)C)OC)s1 ZINC000841671687 635211370 /nfs/dbraw/zinc/21/13/70/635211370.db2.gz YMSAPGWFSYEMKA-VIFPVBQESA-N 0 0 289.422 3.083 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841753284 635227315 /nfs/dbraw/zinc/22/73/15/635227315.db2.gz GBPZQILZIFDBIR-WOPDTQHZSA-N 0 0 283.799 3.369 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(Cl)cc1[O-] ZINC000841753472 635227440 /nfs/dbraw/zinc/22/74/40/635227440.db2.gz UIIKIFDYRSUSPC-WDMOLILDSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841761238 635232813 /nfs/dbraw/zinc/23/28/13/635232813.db2.gz XIRPUGZUTJGZJE-ZIBATOQPSA-N 0 0 294.826 3.179 20 10 CGCDRN CC(C)CCN(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841962156 635252654 /nfs/dbraw/zinc/25/26/54/635252654.db2.gz MWYURYABRKUYOR-UHFFFAOYSA-N 0 0 289.423 3.031 20 10 CGCDRN CN(C)c1ccc(OCc2nnc(C3CC3)s2)cc1 ZINC000842044511 635264072 /nfs/dbraw/zinc/26/40/72/635264072.db2.gz URYNIBQKIVVGJT-UHFFFAOYSA-N 0 0 275.377 3.061 20 10 CGCDRN COc1ccc(N(C)C[C@H](CC(C)C)OC)cc1OC ZINC000842152142 635297142 /nfs/dbraw/zinc/29/71/42/635297142.db2.gz YVFZNBNPJGKWQO-AWEZNQCLSA-N 0 0 281.396 3.201 20 10 CGCDRN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842755617 635461550 /nfs/dbraw/zinc/46/15/50/635461550.db2.gz HNFOKYHBSKPTHS-ZJUUUORDSA-N 0 0 289.778 3.071 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3(F)CC3)cc12 ZINC000842820829 635481916 /nfs/dbraw/zinc/48/19/16/635481916.db2.gz DTBNLMCIORZDDR-UHFFFAOYSA-N 0 0 261.296 3.203 20 10 CGCDRN Nc1ccc(Cc2noc(C(C3CC3)C3CC3)n2)cc1 ZINC000843159264 635588802 /nfs/dbraw/zinc/58/88/02/635588802.db2.gz NZHMEDLUZGRMME-UHFFFAOYSA-N 0 0 269.348 3.146 20 10 CGCDRN CCc1csc(NC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000878833668 635639335 /nfs/dbraw/zinc/63/93/35/635639335.db2.gz GQOWFQZTAMSQOM-SECBINFHSA-N 0 0 291.376 3.294 20 10 CGCDRN Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000843293264 635640164 /nfs/dbraw/zinc/64/01/64/635640164.db2.gz QOGPQBJGICYVPO-CABCVRRESA-N 0 0 258.365 3.424 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000843343563 635650959 /nfs/dbraw/zinc/65/09/59/635650959.db2.gz ZIYGAEQWKRJENS-DLBZAZTESA-N 0 0 286.419 3.144 20 10 CGCDRN COCC1(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000843418626 635662756 /nfs/dbraw/zinc/66/27/56/635662756.db2.gz GHHQKIGFAROYHJ-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843426772 635671367 /nfs/dbraw/zinc/67/13/67/635671367.db2.gz ACOMLLAQKJLLNQ-JOYOIKCWSA-N 0 0 289.778 3.071 20 10 CGCDRN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000843428855 635672571 /nfs/dbraw/zinc/67/25/71/635672571.db2.gz PCKYCCYDJODTCA-TXEJJXNPSA-N 0 0 283.799 3.481 20 10 CGCDRN Cc1cc(Cl)cc(C(=O)NCc2ccccc2O)c1 ZINC000127829796 635807111 /nfs/dbraw/zinc/80/71/11/635807111.db2.gz RCEHZFIRIBICHV-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C\c1cccnc1 ZINC000879784721 635860299 /nfs/dbraw/zinc/86/02/99/635860299.db2.gz SZLUJYSVEGYFOV-CLFYSBASSA-N 0 0 278.355 3.383 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)CCc2ccccc2)cc1 ZINC000844353021 635877460 /nfs/dbraw/zinc/87/74/60/635877460.db2.gz OIFNGDHHQPCGIK-KRWDZBQOSA-N 0 0 285.387 3.125 20 10 CGCDRN C[C@@H](Cn1cc(COc2ccc(N)cc2)nn1)C(C)(C)C ZINC000881327189 636100505 /nfs/dbraw/zinc/10/05/05/636100505.db2.gz XYTCZGCXJDPDGF-LBPRGKRZSA-N 0 0 288.395 3.122 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c(n2)CCC3)cc1 ZINC000845997954 636127703 /nfs/dbraw/zinc/12/77/03/636127703.db2.gz GPIAFGAGKRNGSP-UHFFFAOYSA-N 0 0 268.360 3.215 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2(C3CCC3)CC2)c1 ZINC000846206560 636158752 /nfs/dbraw/zinc/15/87/52/636158752.db2.gz FBOCPVBNAYUXIV-LLVKDONJSA-N 0 0 289.375 3.162 20 10 CGCDRN CCN(C)c1ccc(C[N@H+](CCC(=O)[O-])CC(C)C)cc1 ZINC000846263811 636168659 /nfs/dbraw/zinc/16/86/59/636168659.db2.gz GVPNTOQLMLYGIY-UHFFFAOYSA-N 0 0 292.423 3.075 20 10 CGCDRN O=C(CCC(F)(F)F)NCc1cc(Cl)ccc1O ZINC000846474718 636188180 /nfs/dbraw/zinc/18/81/80/636188180.db2.gz ASMPPODJRQVFOF-UHFFFAOYSA-N 0 0 281.661 3.004 20 10 CGCDRN Cc1ccccc1C1(NC(=O)Cc2ccc(N)cc2)CCC1 ZINC000846686807 636217267 /nfs/dbraw/zinc/21/72/67/636217267.db2.gz MQZLEPMXXAUAIA-UHFFFAOYSA-N 0 0 294.398 3.315 20 10 CGCDRN O=C(OCSc1ncc(Cl)s1)C1CCC1 ZINC000882237087 636292192 /nfs/dbraw/zinc/29/21/92/636292192.db2.gz DXWYBQLHGPLLET-UHFFFAOYSA-N 0 0 263.771 3.189 20 10 CGCDRN CN(CCC1OCCO1)c1ccc(-c2nccs2)cc1 ZINC000846990689 636301184 /nfs/dbraw/zinc/30/11/84/636301184.db2.gz BLQCPSNSDNSFEQ-UHFFFAOYSA-N 0 0 290.388 3.009 20 10 CGCDRN CCOc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882912843 636460654 /nfs/dbraw/zinc/46/06/54/636460654.db2.gz DBVGVKIEDYEGQN-UHFFFAOYSA-N 0 0 293.313 3.359 20 10 CGCDRN CC(C)[C@@H](O)CCOc1ccc(N2CCCC2)cc1 ZINC000882981084 636486771 /nfs/dbraw/zinc/48/67/71/636486771.db2.gz BSLRXRBNOOMQDY-INIZCTEOSA-N 0 0 263.381 3.073 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000882990664 636492860 /nfs/dbraw/zinc/49/28/60/636492860.db2.gz UTCSKXRXECSAQE-UHFFFAOYSA-N 0 0 275.298 3.449 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\OCC ZINC000848045242 636523566 /nfs/dbraw/zinc/52/35/66/636523566.db2.gz DEMANCBKLCUYEM-BENRWUELSA-N 0 0 277.364 3.071 20 10 CGCDRN COCCOc1ccccc1NCc1nc(C(C)C)c[nH]1 ZINC000883057815 636525066 /nfs/dbraw/zinc/52/50/66/636525066.db2.gz YGFMFCQVJVCIFG-UHFFFAOYSA-N 0 0 289.379 3.170 20 10 CGCDRN C[C@@]1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1(F)F ZINC000883174505 636565712 /nfs/dbraw/zinc/56/57/12/636565712.db2.gz LXDIRDWKNQVRTA-GFCCVEGCSA-N 0 0 277.261 3.195 20 10 CGCDRN CCn1c(C)cc(C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000027133046 636624252 /nfs/dbraw/zinc/62/42/52/636624252.db2.gz DOPWERRQAMOMIT-UHFFFAOYSA-N 0 0 299.418 3.121 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnc(Cl)n1C ZINC000848900592 636681718 /nfs/dbraw/zinc/68/17/18/636681718.db2.gz HZMOXYAXDFWBNS-UHFFFAOYSA-N 0 0 291.782 3.035 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CC3(CC3(F)F)C2)cc1 ZINC000848922839 636693872 /nfs/dbraw/zinc/69/38/72/636693872.db2.gz XKYFLQBZNYEXPI-ONEGZZNKSA-N 0 0 278.346 3.107 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CC2(CCCCC2)O1 ZINC000848928817 636700356 /nfs/dbraw/zinc/70/03/56/636700356.db2.gz OIRLMOJBKXJBOQ-CYBMUJFWSA-N 0 0 293.382 3.455 20 10 CGCDRN CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N)cc1 ZINC000883509076 636775686 /nfs/dbraw/zinc/77/56/86/636775686.db2.gz MPNWIUCXPDSJON-BBRMVZONSA-N 0 0 260.381 3.101 20 10 CGCDRN C=C/C=C\CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000883581643 636796967 /nfs/dbraw/zinc/79/69/67/636796967.db2.gz BPUMLDLBBVADFI-AFNCTOJWSA-N 0 0 287.407 3.245 20 10 CGCDRN C=C/C=C/CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000883826045 636854737 /nfs/dbraw/zinc/85/47/37/636854737.db2.gz ZBKGSSTUXHXGNQ-VOTSOKGWSA-N 0 0 287.407 3.026 20 10 CGCDRN CC(C)[C@@H](C)NC(=O)CSc1ncc(Cl)s1 ZINC000849998913 636923768 /nfs/dbraw/zinc/92/37/68/636923768.db2.gz UHLUOUVARLOETA-SSDOTTSWSA-N 0 0 278.830 3.049 20 10 CGCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)N1CCCCC1 ZINC000849997729 636924272 /nfs/dbraw/zinc/92/42/72/636924272.db2.gz DHZKGWXRFMAIBJ-MRVPVSSYSA-N 0 0 290.841 3.290 20 10 CGCDRN CC(C)COC(=O)CSc1ncc(Cl)s1 ZINC000850000011 636924816 /nfs/dbraw/zinc/92/48/16/636924816.db2.gz GPPCVBZSXUDQNQ-UHFFFAOYSA-N 0 0 265.787 3.088 20 10 CGCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccn1 ZINC000850341681 637021059 /nfs/dbraw/zinc/02/10/59/637021059.db2.gz BVMRXBNXGIOVFX-JTQLQIEISA-N 0 0 294.757 3.473 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)C2CC2)c1 ZINC000134748847 637036683 /nfs/dbraw/zinc/03/66/83/637036683.db2.gz JSYIMTDAKOYGFZ-VIFPVBQESA-N 0 0 284.197 3.351 20 10 CGCDRN COC1CC(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850481383 637085414 /nfs/dbraw/zinc/08/54/14/637085414.db2.gz GSICPUWVTJNPFL-BMQDGWLCSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@@H]([NH2+]CCC(C)(C)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850531952 637109661 /nfs/dbraw/zinc/10/96/61/637109661.db2.gz OTZWWAPKRUZTPR-SECBINFHSA-N 0 0 270.304 3.089 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(F)cc1[O-] ZINC000850552554 637118970 /nfs/dbraw/zinc/11/89/70/637118970.db2.gz NVRLWXRICPDCKO-QPUJVOFHSA-N 0 0 273.298 3.473 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000850556156 637119755 /nfs/dbraw/zinc/11/97/55/637119755.db2.gz QEQHAQOEVLXYQZ-HWPZZCPQSA-N 0 0 277.364 3.018 20 10 CGCDRN CC(C)[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850555443 637120393 /nfs/dbraw/zinc/12/03/93/637120393.db2.gz IOQSGTYCOKFAIW-BMIGLBTASA-N 0 0 278.352 3.386 20 10 CGCDRN C[C@@H]([NH2+]CCCc1ccco1)c1ccc(F)cc1[O-] ZINC000850569619 637127879 /nfs/dbraw/zinc/12/78/79/637127879.db2.gz KSPBUZPOUQNSKI-LLVKDONJSA-N 0 0 263.312 3.408 20 10 CGCDRN Nc1ccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000851633379 637463023 /nfs/dbraw/zinc/46/30/23/637463023.db2.gz IMXDRLOKMMZEOG-MRVPVSSYSA-N 0 0 273.163 3.181 20 10 CGCDRN C[C@H]([NH2+]CCOC1CCCC1)c1c([O-])cccc1F ZINC000886516310 637549779 /nfs/dbraw/zinc/54/97/79/637549779.db2.gz BWWSKUGBLNWVTM-NSHDSACASA-N 0 0 267.344 3.141 20 10 CGCDRN Cc1noc(C)c1CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886539294 637563904 /nfs/dbraw/zinc/56/39/04/637563904.db2.gz XOIBJSODAVBZTD-LLVKDONJSA-N 0 0 292.354 3.420 20 10 CGCDRN Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886549114 637575727 /nfs/dbraw/zinc/57/57/27/637575727.db2.gz BTCMDXCWQWMSMN-CMPLNLGQSA-N 0 0 295.379 3.285 20 10 CGCDRN Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886551074 637576810 /nfs/dbraw/zinc/57/68/10/637576810.db2.gz AWDWRDFWLOBTRH-LRDDRELGSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1nnc([C@H](C)N[C@H](C)c2c(O)cccc2F)s1 ZINC000886589852 637594835 /nfs/dbraw/zinc/59/48/35/637594835.db2.gz HRFYQZYTEAUILE-SFYZADRCSA-N 0 0 281.356 3.103 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1c([O-])cccc1F ZINC000886637637 637623789 /nfs/dbraw/zinc/62/37/89/637623789.db2.gz BCLDOFBRILSYJX-FSBGKCOPSA-N 0 0 287.334 3.360 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1c([O-])cccc1F ZINC000886645107 637626737 /nfs/dbraw/zinc/62/67/37/637626737.db2.gz RJBGDYLZSYSOFP-GHMZBOCLSA-N 0 0 269.385 3.325 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1c([O-])cccc1F ZINC000886650460 637629506 /nfs/dbraw/zinc/62/95/06/637629506.db2.gz XJUAPAHQZQNCOG-SMDDNHRTSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1c([O-])cccc1F ZINC000886703211 637666064 /nfs/dbraw/zinc/66/60/64/637666064.db2.gz PEGFKOYUGCZNBL-RYUDHWBXSA-N 0 0 279.355 3.141 20 10 CGCDRN C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O ZINC000886801711 637697622 /nfs/dbraw/zinc/69/76/22/637697622.db2.gz RGIPFOMBGDXVOE-CPCISQLKSA-N 0 0 297.704 3.010 20 10 CGCDRN Cc1cc(COc2ccc(N3CCCC3)cc2)nc(C)n1 ZINC000853675475 637889733 /nfs/dbraw/zinc/88/97/33/637889733.db2.gz SYINVKLGFPIYPO-UHFFFAOYSA-N 0 0 283.375 3.273 20 10 CGCDRN Cc1nonc1COc1ccc2c(c1)c(C)c(C)n2C ZINC000853725657 637902222 /nfs/dbraw/zinc/90/22/22/637902222.db2.gz RNZCBKREDJGZFD-UHFFFAOYSA-N 0 0 271.320 3.066 20 10 CGCDRN C[C@@H](NC(=O)N[C@]1(C)CC1(C)C)c1ccc(N(C)C)cc1 ZINC000854003236 637969891 /nfs/dbraw/zinc/96/98/91/637969891.db2.gz GKUZIZKWFNGOTI-SJKOYZFVSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)Cc2ccccc21 ZINC000854252612 638032819 /nfs/dbraw/zinc/03/28/19/638032819.db2.gz AGYUFWQFOHTYSV-JTQLQIEISA-N 0 0 273.357 3.213 20 10 CGCDRN CCC1(CC)CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000857322954 638494451 /nfs/dbraw/zinc/49/44/51/638494451.db2.gz VFQSZXGMYBMRIL-UHFFFAOYSA-N 0 0 295.354 3.279 20 10 CGCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857546395 638516880 /nfs/dbraw/zinc/51/68/80/638516880.db2.gz BOVZPQAPJRWYHF-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CCC2CC2)cc1F ZINC000115377061 638539646 /nfs/dbraw/zinc/53/96/46/638539646.db2.gz NNBRYCOTQJTEPZ-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN CCCCN(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115855910 638627070 /nfs/dbraw/zinc/62/70/70/638627070.db2.gz SXDUFFOLABWAEJ-UHFFFAOYSA-N 0 0 277.412 3.003 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C)C2)c1 ZINC000858155011 638645699 /nfs/dbraw/zinc/64/56/99/638645699.db2.gz XSUFVLSGLQPSLQ-SMDDNHRTSA-N 0 0 276.380 3.079 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCC23CC3)cc1 ZINC000858199811 638656899 /nfs/dbraw/zinc/65/68/99/638656899.db2.gz RWORABYXZOCLAR-MRXNPFEDSA-N 0 0 286.419 3.291 20 10 CGCDRN c1nc2c(s1)CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000858358867 638692440 /nfs/dbraw/zinc/69/24/40/638692440.db2.gz APYYIRCJDQWRCQ-ZDUSSCGKSA-N 0 0 286.400 3.245 20 10 CGCDRN CC[C@H](Nc1cnn(CCF)c1)c1ccc(F)cc1O ZINC000858492226 638742954 /nfs/dbraw/zinc/74/29/54/638742954.db2.gz UXKPOUTZILIGIG-ZDUSSCGKSA-N 0 0 281.306 3.261 20 10 CGCDRN CCC(F)(F)CN[C@@H](C)c1cccc(OC)c1O ZINC000858508761 638750709 /nfs/dbraw/zinc/75/07/09/638750709.db2.gz YSMBNZGVDVVMQH-VIFPVBQESA-N 0 0 259.296 3.097 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)NCc2c(O)cccc2F)[C@@H]1c1ccccc1 ZINC000928708389 638889433 /nfs/dbraw/zinc/88/94/33/638889433.db2.gz KLMHSFAQLQGLTG-MZPVMMEZSA-N 0 0 299.345 3.197 20 10 CGCDRN O=[N+]([O-])c1cnc(SC[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000858677564 639010558 /nfs/dbraw/zinc/01/05/58/639010558.db2.gz ZFKBKWIHCANUHR-RNLVFQAGSA-N 0 0 256.352 3.190 20 10 CGCDRN CC(C)CCOC(=O)NCCCSc1nccs1 ZINC000858980431 639054569 /nfs/dbraw/zinc/05/45/69/639054569.db2.gz JHWCZDGZBAXCGT-UHFFFAOYSA-N 0 0 288.438 3.398 20 10 CGCDRN Cc1cc(CN2Cc3ccc(O)cc3C2)ccc1N(C)C ZINC000859477553 639149583 /nfs/dbraw/zinc/14/95/83/639149583.db2.gz DZWPUDNXYOOBJE-UHFFFAOYSA-N 0 0 282.387 3.282 20 10 CGCDRN CC1(C)CC(COC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000859600727 639172385 /nfs/dbraw/zinc/17/23/85/639172385.db2.gz IOJAIXIEGLCQNG-XQRVVYSFSA-N 0 0 276.332 3.090 20 10 CGCDRN Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(N)cc2)nc1 ZINC000859697286 639193378 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ZINC000709395829 800008677 /nfs/dbraw/zinc/00/86/77/800008677.db2.gz AVJIXHLOTHCNDI-UHFFFAOYSA-N 0 0 271.360 3.102 20 10 CGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711479458 800063068 /nfs/dbraw/zinc/06/30/68/800063068.db2.gz XYYGYTXBCMARBY-SNVBAGLBSA-N 0 0 257.736 3.227 20 10 CGCDRN CC(C)N(C(=O)c1cccc(O)c1O)C1CC(C)(C)C1 ZINC000837182643 800490628 /nfs/dbraw/zinc/49/06/28/800490628.db2.gz IMHHMVBMFCFMKE-UHFFFAOYSA-N 0 0 277.364 3.137 20 10 CGCDRN O=C(NCCCSc1nccs1)C1(C2CC2)CCC1 ZINC000906668991 800601838 /nfs/dbraw/zinc/60/18/38/800601838.db2.gz CJDJLCJBVJMTJU-UHFFFAOYSA-N 0 0 296.461 3.322 20 10 CGCDRN Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC001116327183 802330933 /nfs/dbraw/zinc/33/09/33/802330933.db2.gz IQMXSDCSDYNGRG-UHFFFAOYSA-N 0 0 298.434 3.340 20 10 CGCDRN C[C@H](NC(=S)NCC1CCC1)c1ccc(N(C)C)cc1 ZINC001116646491 802391131 /nfs/dbraw/zinc/39/11/31/802391131.db2.gz IPAWJJWMBXERKA-LBPRGKRZSA-N 0 0 291.464 3.078 20 10 CGCDRN Cc1cccc2c1CC[C@H]2NC(=O)NCc1ccc(N)cc1 ZINC001120505261 802747739 /nfs/dbraw/zinc/74/77/39/802747739.db2.gz ZEOCAIXXKCBQBP-QGZVFWFLSA-N 0 0 295.386 3.064 20 10 CGCDRN CCC[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001120795609 802779833 /nfs/dbraw/zinc/77/98/33/802779833.db2.gz YHHRMQHTQWOKEJ-CYBMUJFWSA-N 0 0 288.351 3.254 20 10 CGCDRN CCOc1ncc(-c2cc(=O)n(C)c3ccccc23)cc1F ZINC001243776618 802995961 /nfs/dbraw/zinc/99/59/61/802995961.db2.gz OOXNQBKYUUJWPT-UHFFFAOYSA-N 0 0 298.317 3.138 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C2CC2)CC1 ZINC001124550113 803028346 /nfs/dbraw/zinc/02/83/46/803028346.db2.gz YXFJZPIXSGKQGR-UHFFFAOYSA-N 0 0 298.430 3.435 20 10 CGCDRN Cn1c2ccccc2c(-c2ccc(Cl)cc2N)cc1=O ZINC001244200450 803241045 /nfs/dbraw/zinc/24/10/45/803241045.db2.gz HTWYXSQUQPXTDV-UHFFFAOYSA-N 0 0 284.746 3.441 20 10 CGCDRN O=c1cc(-c2cnccc2C2CC2)ccn1CC1CC1 ZINC001244284866 803278830 /nfs/dbraw/zinc/27/88/30/803278830.db2.gz JYOVNDKQZLQKOV-UHFFFAOYSA-N 0 0 266.344 3.198 20 10 CGCDRN Oc1cccc(NC2=CCN(c3ccccc3)CC2)c1O ZINC001209084594 813929560 /nfs/dbraw/zinc/92/95/60/813929560.db2.gz KUKMURGTTGBZMD-UHFFFAOYSA-N 0 0 282.343 3.304 20 10 CGCDRN COc1c(Nc2ccc(N)cc2)ccc(F)c1F ZINC001211897669 814953907 /nfs/dbraw/zinc/95/39/07/814953907.db2.gz DXGCJGXOFHIFKX-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN CN(Cc1ccccc1O)Cc1cnccc1Cl ZINC001137238433 803703410 /nfs/dbraw/zinc/70/34/10/803703410.db2.gz WNNPLWCLAATGMS-UHFFFAOYSA-N 0 0 262.740 3.073 20 10 CGCDRN CCCC[C@H](CCC)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001137340978 803718899 /nfs/dbraw/zinc/71/88/99/803718899.db2.gz WGNBEFFZPXGDFM-ZDUSSCGKSA-N 0 0 293.407 3.363 20 10 CGCDRN Cn1c(=O)ccc2ccc(-c3c[nH]c4ncc(F)cc34)cc21 ZINC001245433422 803737529 /nfs/dbraw/zinc/73/75/29/803737529.db2.gz UFURNZDSWHNTPK-UHFFFAOYSA-N 0 0 293.301 3.221 20 10 CGCDRN Cn1ccc2ncc(-c3cn(C)c4cnccc34)cc21 ZINC001245490015 803763450 /nfs/dbraw/zinc/76/34/50/803763450.db2.gz FZWADPWINOHTMV-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN Oc1cccc2c1CN(Cc1cc(F)cc(F)c1F)CC2 ZINC001137873565 803791010 /nfs/dbraw/zinc/79/10/10/803791010.db2.gz KGNVBTABECZKIQ-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN CC(=O)c1ccc2c(c1)CN(Cc1cccc(F)c1O)CC2 ZINC001138129698 803863785 /nfs/dbraw/zinc/86/37/85/803863785.db2.gz RPQIUUFBYBPUSK-UHFFFAOYSA-N 0 0 299.345 3.292 20 10 CGCDRN Oc1c(F)cccc1CN1CCc2ncc(Cl)cc2C1 ZINC001138129897 803865353 /nfs/dbraw/zinc/86/53/53/803865353.db2.gz YHQGKNXPBKDHPN-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN c1cc2n(c1)CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220016 803874096 /nfs/dbraw/zinc/87/40/96/803874096.db2.gz XCSPABNQEUPLLL-UHFFFAOYSA-N 0 0 295.430 3.494 20 10 CGCDRN Cc1c(C[N@H+]2CCOC[C@H]2C(C)C)c2ccccc2n1C ZINC001138258396 803883976 /nfs/dbraw/zinc/88/39/76/803883976.db2.gz RCACITWSABTIQZ-SFHVURJKSA-N 0 0 286.419 3.344 20 10 CGCDRN Oc1cc(Cl)ccc1Nc1ccncc1Cl ZINC001212155396 814985814 /nfs/dbraw/zinc/98/58/14/814985814.db2.gz NDHUMZNRUHIETD-UHFFFAOYSA-N 0 0 255.104 3.260 20 10 CGCDRN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139682659 804252565 /nfs/dbraw/zinc/25/25/65/804252565.db2.gz AOXNQDAMRNKLSD-VHSXEESVSA-N 0 0 255.308 3.291 20 10 CGCDRN CC(C)c1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212361701 815010573 /nfs/dbraw/zinc/01/05/73/815010573.db2.gz BNBQYIZOFDMUHT-UHFFFAOYSA-N 0 0 272.333 3.379 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cc(O)ccc2F)cc1 ZINC001140052286 804362168 /nfs/dbraw/zinc/36/21/68/804362168.db2.gz LOZBYTYKWWWNBJ-UHFFFAOYSA-N 0 0 288.366 3.229 20 10 CGCDRN O=C1CCN(Cc2c(O)cccc2Cl)[C@H]2CCCC[C@@H]12 ZINC001140337910 804417665 /nfs/dbraw/zinc/41/76/65/804417665.db2.gz MHVBGUDKYYMHPE-RISCZKNCSA-N 0 0 293.794 3.379 20 10 CGCDRN O=C1CCN(Cc2c(O)cccc2Cl)[C@@H]2CCCC[C@H]12 ZINC001140337911 804418470 /nfs/dbraw/zinc/41/84/70/804418470.db2.gz MHVBGUDKYYMHPE-SMDDNHRTSA-N 0 0 293.794 3.379 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CC(F)(F)C[C@H]1CF ZINC001140463302 804441092 /nfs/dbraw/zinc/44/10/92/804441092.db2.gz ZHYJSIMMTWTYKD-JTQLQIEISA-N 0 0 279.689 3.225 20 10 CGCDRN C[N@H+](CCc1ccccn1)Cc1ccc(Cl)cc1O ZINC001140461915 804441196 /nfs/dbraw/zinc/44/11/96/804441196.db2.gz XZNWMHMLYHOCIL-UHFFFAOYSA-N 0 0 276.767 3.115 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001140461636 804442167 /nfs/dbraw/zinc/44/21/67/804442167.db2.gz OHBAYNHZFUYPHF-LBPRGKRZSA-N 0 0 257.736 3.370 20 10 CGCDRN C[N@H+](Cc1cccc(O)c1)Cc1c([O-])cc(F)cc1F ZINC001140583135 804466770 /nfs/dbraw/zinc/46/67/70/804466770.db2.gz WUJOSUAZQDMODY-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001140582776 804466886 /nfs/dbraw/zinc/46/68/86/804466886.db2.gz MQDDNGOOJWCYNP-OAHLLOKOSA-N 0 0 290.313 3.403 20 10 CGCDRN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583616 804468417 /nfs/dbraw/zinc/46/84/17/804468417.db2.gz NYRPCUJSQYPMBF-NSHDSACASA-N 0 0 255.308 3.435 20 10 CGCDRN Cc1ccc(O)c(CN2CCc3ncc(Cl)cc3C2)c1 ZINC001140623156 804477061 /nfs/dbraw/zinc/47/70/61/804477061.db2.gz HJTVRKPCCWMYIA-UHFFFAOYSA-N 0 0 288.778 3.307 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(F)c(C)c2F)no1 ZINC001212404922 815020636 /nfs/dbraw/zinc/02/06/36/815020636.db2.gz BNRILDQZPAXNIR-UHFFFAOYSA-N 0 0 294.286 3.150 20 10 CGCDRN CCc1cccc(-c2noc(-c3nnsc3C)n2)c1 ZINC001212404903 815020684 /nfs/dbraw/zinc/02/06/84/815020684.db2.gz BBYQWYGMOXFCOX-UHFFFAOYSA-N 0 0 272.333 3.126 20 10 CGCDRN Cc1snnc1-c1nc(-c2cc(C)c(F)c(C)c2)no1 ZINC001212405553 815020700 /nfs/dbraw/zinc/02/07/00/815020700.db2.gz VOHUWBURVJXEJO-UHFFFAOYSA-N 0 0 290.323 3.319 20 10 CGCDRN CN(C)c1ccc(CN2C[C@@H](F)C[C@H]2CF)c(Cl)c1 ZINC001140921426 804548602 /nfs/dbraw/zinc/54/86/02/804548602.db2.gz CJANKBMUASOWHU-AAEUAGOBSA-N 0 0 288.769 3.288 20 10 CGCDRN CN(C)c1ccc(CN(C)CC(F)(F)F)c(Cl)c1 ZINC001140921933 804549695 /nfs/dbraw/zinc/54/96/95/804549695.db2.gz WQSIQSHYARLLHK-UHFFFAOYSA-N 0 0 280.721 3.400 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC001140924943 804550672 /nfs/dbraw/zinc/55/06/72/804550672.db2.gz XSOMCNNSROLSTI-OAHLLOKOSA-N 0 0 296.842 3.407 20 10 CGCDRN Cc1ccc(CN2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001140947726 804556090 /nfs/dbraw/zinc/55/60/90/804556090.db2.gz CQQNGDHICCRIIZ-CYBMUJFWSA-N 0 0 273.298 3.270 20 10 CGCDRN OCCCCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966071 807019466 /nfs/dbraw/zinc/01/94/66/807019466.db2.gz SJTZIHAEMWJHTP-UHFFFAOYSA-N 0 0 297.358 3.232 20 10 CGCDRN CN(Cc1cc(O)ccc1O)Cc1cccc(F)c1F ZINC001141162283 804601991 /nfs/dbraw/zinc/60/19/91/804601991.db2.gz NLWSGFRVRHPHNG-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142512844 804729333 /nfs/dbraw/zinc/72/93/33/804729333.db2.gz NFAXVHVCXSLVEN-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C2=COCC2)cc1 ZINC001142557481 804738702 /nfs/dbraw/zinc/73/87/02/804738702.db2.gz MBFGQCLEKNUWTJ-UHFFFAOYSA-N 0 0 294.354 3.106 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C(F)(F)F)cc1 ZINC001142769191 804766117 /nfs/dbraw/zinc/76/61/17/804766117.db2.gz JIAWFIKYUVFUGQ-UHFFFAOYSA-N 0 0 294.276 3.364 20 10 CGCDRN Cc1cc(C)c(CNC(=O)/C=C/c2ccccc2)c(O)c1 ZINC001142871937 804778040 /nfs/dbraw/zinc/77/80/40/804778040.db2.gz AHFCYMJVTYLNRM-CMDGGOBGSA-N 0 0 281.355 3.339 20 10 CGCDRN CCCONC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001143266723 804830788 /nfs/dbraw/zinc/83/07/88/804830788.db2.gz ZKJLCSLRRBTBPO-UHFFFAOYSA-N 0 0 290.338 3.305 20 10 CGCDRN Cc1cccnc1-c1noc(/C=C/c2ccc(O)c(O)c2)n1 ZINC001247981973 804863382 /nfs/dbraw/zinc/86/33/82/804863382.db2.gz JYINTGPYHYVFPZ-FNORWQNLSA-N 0 0 295.298 3.022 20 10 CGCDRN C[C@H](NC(=S)NCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001248007367 804868480 /nfs/dbraw/zinc/86/84/80/804868480.db2.gz AAQUWZVISHUQOI-LBPRGKRZSA-N 0 0 293.480 3.324 20 10 CGCDRN Cc1nc(CN2CCc3cccc(O)c3C2)ccc1Cl ZINC001248876250 805027137 /nfs/dbraw/zinc/02/71/37/805027137.db2.gz IGDXRQRPHMMODD-UHFFFAOYSA-N 0 0 288.778 3.307 20 10 CGCDRN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)c2ccccc21 ZINC001148219973 805169902 /nfs/dbraw/zinc/16/99/02/805169902.db2.gz ITFZGACRICEGDL-HZMBPMFUSA-N 0 0 283.327 3.076 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(F)cc(N)c1Cl ZINC001249654512 805203463 /nfs/dbraw/zinc/20/34/63/805203463.db2.gz WFZBQMCCBHNLBJ-UHFFFAOYSA-N 0 0 265.719 3.411 20 10 CGCDRN CCSCCc1ccc(N2CCOCC2)cc1C ZINC001250021686 805371495 /nfs/dbraw/zinc/37/14/95/805371495.db2.gz JMQVJRAKPVAGGH-UHFFFAOYSA-N 0 0 265.422 3.127 20 10 CGCDRN CCN(Cc1ccccc1O)c1ccc2nc(C)n(C)c2n1 ZINC001154888420 805504437 /nfs/dbraw/zinc/50/44/37/805504437.db2.gz BYLYXKKSLVCRJP-UHFFFAOYSA-N 0 0 296.374 3.009 20 10 CGCDRN CCN(Cc1ccccc1O)c1ccnc(C2CC2)n1 ZINC001154888721 805504987 /nfs/dbraw/zinc/50/49/87/805504987.db2.gz JJPCBPYTGPLQOJ-UHFFFAOYSA-N 0 0 269.348 3.086 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc2c(n1)CCCC2 ZINC001154890724 805506106 /nfs/dbraw/zinc/50/61/06/805506106.db2.gz LGGJZGSIHWTDEB-UHFFFAOYSA-N 0 0 283.375 3.088 20 10 CGCDRN CCc1cc(Cl)nc(N(CC)Cc2ccccc2O)n1 ZINC001154890595 805506415 /nfs/dbraw/zinc/50/64/15/805506415.db2.gz DGXRDRNZHOGTNX-UHFFFAOYSA-N 0 0 291.782 3.425 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccsc2Cl)c1 ZINC001167293478 807176355 /nfs/dbraw/zinc/17/63/55/807176355.db2.gz FOPIODGKVMAFFL-UHFFFAOYSA-N 0 0 281.764 3.346 20 10 CGCDRN Oc1cc(O)c(CCNc2ccc3ccoc3c2)cc1O ZINC001168005918 807298406 /nfs/dbraw/zinc/29/84/06/807298406.db2.gz PDZOWIYYQXREEN-UHFFFAOYSA-N 0 0 285.299 3.204 20 10 CGCDRN CNc1ccccc1NCc1ccc(OC2COC2)cc1 ZINC001168468476 807426063 /nfs/dbraw/zinc/42/60/63/807426063.db2.gz WEFPZOLEKDGBNY-UHFFFAOYSA-N 0 0 284.359 3.118 20 10 CGCDRN Cc1cc(C(=O)N(C)C)ccc1N(C)c1ccc(N)cc1 ZINC001212733079 815117381 /nfs/dbraw/zinc/11/73/81/815117381.db2.gz BFSYDCOWMWOAJY-UHFFFAOYSA-N 0 0 283.375 3.047 20 10 CGCDRN Cc1ccccc1Cc1nnc(-c2ccc(O)c(O)c2)o1 ZINC001258382134 807434143 /nfs/dbraw/zinc/43/41/43/807434143.db2.gz VWZYJDFSUCAVJV-UHFFFAOYSA-N 0 0 282.299 3.047 20 10 CGCDRN CNc1ccccc1N[C@@H](C)CCCC(C)(C)O ZINC001168709314 807492991 /nfs/dbraw/zinc/49/29/91/807492991.db2.gz UYKJGPMJAZOPOH-LBPRGKRZSA-N 0 0 250.386 3.470 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)N(c1ccccc1)C1CCC1 ZINC001168808216 807517753 /nfs/dbraw/zinc/51/77/53/807517753.db2.gz IHGXVWWPJFDGID-UHFFFAOYSA-N 0 0 297.354 3.226 20 10 CGCDRN C/C=C(/CC)C(=O)Nc1c2nonc2ccc1Cl ZINC001261140550 807711995 /nfs/dbraw/zinc/71/19/95/807711995.db2.gz WSZFNLGZSUGVLJ-CLTKARDFSA-N 0 0 265.700 3.171 20 10 CGCDRN Cc1cc2cnc(NCc3ccc(O)c(O)c3)nc2s1 ZINC001169990108 807734278 /nfs/dbraw/zinc/73/42/78/807734278.db2.gz AUEWOXYJAOPVSF-UHFFFAOYSA-N 0 0 287.344 3.023 20 10 CGCDRN Oc1ccc(CNc2ccc(-c3csnn3)cc2)cc1O ZINC001169994911 807735515 /nfs/dbraw/zinc/73/55/15/807735515.db2.gz MBQGXBWXQIVNAK-UHFFFAOYSA-N 0 0 299.355 3.228 20 10 CGCDRN Oc1ccc(CNc2ccc3[nH]ccc3c2F)cc1O ZINC001169997154 807736025 /nfs/dbraw/zinc/73/60/25/807736025.db2.gz SWPLHXNKBGLRGC-UHFFFAOYSA-N 0 0 272.279 3.330 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001261481457 807748721 /nfs/dbraw/zinc/74/87/21/807748721.db2.gz AFPICPWCIXXNOJ-HBNTYKKESA-N 0 0 282.315 3.232 20 10 CGCDRN C[C@H](NC(=O)C1(CF)CCC1)c1ccc(N(C)C)cc1 ZINC001261496036 807751009 /nfs/dbraw/zinc/75/10/09/807751009.db2.gz CRBPCIAEGWJHSG-LBPRGKRZSA-N 0 0 278.371 3.070 20 10 CGCDRN CC(C)[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001261637365 807771382 /nfs/dbraw/zinc/77/13/82/807771382.db2.gz QMEQWHFCWIJVDY-KRWDZBQOSA-N 0 0 277.408 3.154 20 10 CGCDRN CCCc1ccc(NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001170314504 807824154 /nfs/dbraw/zinc/82/41/54/807824154.db2.gz BHKPZOOAPBKSSQ-UHFFFAOYSA-N 0 0 285.343 3.345 20 10 CGCDRN Nc1ccc(CNC(=O)NC[C@H]2CCC=CCCC2)cc1 ZINC001262600192 807873147 /nfs/dbraw/zinc/87/31/47/807873147.db2.gz UOHPCWSCGGRHOQ-AWEZNQCLSA-N 0 0 287.407 3.205 20 10 CGCDRN CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC001262603601 807873602 /nfs/dbraw/zinc/87/36/02/807873602.db2.gz NXNXOCDNSQHFRR-UHFFFAOYSA-N 0 0 297.402 3.389 20 10 CGCDRN Nc1ccc(Nc2cccc(-n3cccn3)c2)cc1 ZINC001174301090 808942507 /nfs/dbraw/zinc/94/25/07/808942507.db2.gz WSGRURDUMSALSF-UHFFFAOYSA-N 0 0 250.305 3.198 20 10 CGCDRN Cc1nn(C)cc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001174336576 808958585 /nfs/dbraw/zinc/95/85/85/808958585.db2.gz QLRHIXFDSPAJQT-UHFFFAOYSA-N 0 0 293.374 3.363 20 10 CGCDRN Oc1ccc(C(F)(F)F)cc1Nc1ccncc1F ZINC001175201256 809306158 /nfs/dbraw/zinc/30/61/58/809306158.db2.gz VHLZWFDVQSEFOP-UHFFFAOYSA-N 0 0 272.201 3.111 20 10 CGCDRN CC(C)c1ccc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001294651176 809473924 /nfs/dbraw/zinc/47/39/24/809473924.db2.gz YPKCMIFCGWXBAM-UHFFFAOYSA-N 0 0 299.370 3.427 20 10 CGCDRN C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1O ZINC001302532916 809596964 /nfs/dbraw/zinc/59/69/64/809596964.db2.gz UQPWHEXHYYXAHU-NSHDSACASA-N 0 0 280.327 3.365 20 10 CGCDRN O=C(Cc1coc2ccccc12)NCc1c(O)cccc1F ZINC001178413722 809864591 /nfs/dbraw/zinc/86/45/91/809864591.db2.gz XYGZBYNVYIXMQU-UHFFFAOYSA-N 0 0 299.301 3.136 20 10 CGCDRN COc1cncc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001179325216 809916463 /nfs/dbraw/zinc/91/64/63/809916463.db2.gz PLITYVMALZVCEH-UHFFFAOYSA-N 0 0 293.317 3.047 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)c1cccc(Cl)n1 ZINC001180401297 809998803 /nfs/dbraw/zinc/99/88/03/809998803.db2.gz SCLCXJXTBFIJAV-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC001181214288 810043854 /nfs/dbraw/zinc/04/38/54/810043854.db2.gz USFPMVSPSOLMTP-HNNXBMFYSA-N 0 0 297.345 3.109 20 10 CGCDRN CCCn1cc(CN(C)c2ccc(OC)cc2)c(C)n1 ZINC001182734620 810122133 /nfs/dbraw/zinc/12/21/33/810122133.db2.gz XSXNVDBQMMOUFP-UHFFFAOYSA-N 0 0 273.380 3.247 20 10 CGCDRN COc1ccc(N(C)Cc2cn3ccnc3s2)cc1 ZINC001182734657 810122575 /nfs/dbraw/zinc/12/25/75/810122575.db2.gz YTIZNMONCZEPEL-UHFFFAOYSA-N 0 0 273.361 3.041 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C(C)C)C2)cc1OC ZINC001185693134 810283878 /nfs/dbraw/zinc/28/38/78/810283878.db2.gz NPPAHEPMSMQNML-NSHDSACASA-N 0 0 294.351 3.094 20 10 CGCDRN C=Cc1ccc(NC(=O)c2cc(O)c(O)c(OC)c2)cc1 ZINC001193098787 810855998 /nfs/dbraw/zinc/85/59/98/810855998.db2.gz WBEXHXWDAZNUMU-UHFFFAOYSA-N 0 0 285.299 3.002 20 10 CGCDRN O=C(NCCC1=CCCCC1)c1ccc(O)c(O)c1Cl ZINC001193236512 810865592 /nfs/dbraw/zinc/86/55/92/810865592.db2.gz GFFZBGWXHXHLDG-UHFFFAOYSA-N 0 0 295.766 3.372 20 10 CGCDRN CCCCOC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001193715462 810941456 /nfs/dbraw/zinc/94/14/56/810941456.db2.gz FYWCRJOUHHGRBD-UHFFFAOYSA-N 0 0 276.380 3.313 20 10 CGCDRN CCCOC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001194106325 811015430 /nfs/dbraw/zinc/01/54/30/811015430.db2.gz JPFHSGMOGUEPII-UHFFFAOYSA-N 0 0 276.380 3.265 20 10 CGCDRN CC[C@@H](C)COC(=O)N[C@H](C)c1ccccc1O ZINC001194824331 811147074 /nfs/dbraw/zinc/14/70/74/811147074.db2.gz UJNRHKPTTKRYJX-GHMZBOCLSA-N 0 0 251.326 3.226 20 10 CGCDRN C[C@@H](NC(=S)NCc1ccccc1)c1ccccc1O ZINC001195644821 811275033 /nfs/dbraw/zinc/27/50/33/811275033.db2.gz WHYJFNBAOIJGCH-GFCCVEGCSA-N 0 0 286.400 3.118 20 10 CGCDRN CSc1cccc(C(=O)NCc2ccccc2O)c1F ZINC001197113567 811399839 /nfs/dbraw/zinc/39/98/39/811399839.db2.gz QNJIFGLVRRQJNE-UHFFFAOYSA-N 0 0 291.347 3.183 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cnccc2C2CC2)c(O)c1 ZINC001197859682 811458372 /nfs/dbraw/zinc/45/83/72/811458372.db2.gz GDNSHMGQNIZFOY-UHFFFAOYSA-N 0 0 296.370 3.211 20 10 CGCDRN 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[O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC001206116808 813205868 /nfs/dbraw/zinc/20/58/68/813205868.db2.gz TUJWHUJJDDEQNN-LLVKDONJSA-N 0 0 267.319 3.292 20 10 CGCDRN Cc1cnnn1-c1ccc(NCc2cc(F)ccc2O)cc1 ZINC001206430449 813320102 /nfs/dbraw/zinc/32/01/02/813320102.db2.gz UYXCFSIWVGIMOI-UHFFFAOYSA-N 0 0 298.321 3.033 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN1CC(Oc2ccccc2)C1 ZINC001207866151 813664569 /nfs/dbraw/zinc/66/45/69/813664569.db2.gz RFJBBVFTBXQCOL-UHFFFAOYSA-N 0 0 296.414 3.324 20 10 CGCDRN O=c1cc(Nc2ccc3c(c2)OCCN3)c2ccccc2[nH]1 ZINC001209705785 814116747 /nfs/dbraw/zinc/11/67/47/814116747.db2.gz XIQDUJCABYJVAD-UHFFFAOYSA-N 0 0 293.326 3.488 20 10 CGCDRN Oc1cc(Nc2ccc3c(c2)OCCN3)cc(F)c1F ZINC001209766729 814134837 /nfs/dbraw/zinc/13/48/37/814134837.db2.gz DMNAJVRJFZEGBW-UHFFFAOYSA-N 0 0 278.258 3.218 20 10 CGCDRN c1cc(OC2COC2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209766454 814135034 /nfs/dbraw/zinc/13/50/34/814135034.db2.gz ACOFLXCBKNEEMT-UHFFFAOYSA-N 0 0 298.342 3.012 20 10 CGCDRN 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CCCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC001560396962 938256691 /nfs/dbraw/zinc/25/66/91/938256691.db2.gz BJSMYPMKXVTECH-UHFFFAOYSA-N 0 0 278.352 3.360 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC001560732204 938273122 /nfs/dbraw/zinc/27/31/22/938273122.db2.gz GILKVHORXRXFGA-HIFRSBDPSA-N 0 0 281.783 3.093 20 10 CGCDRN OCCN(Cc1ccc(Cl)cc1O)c1ccccc1 ZINC001560765911 938274536 /nfs/dbraw/zinc/27/45/36/938274536.db2.gz YMNNNRYOUVNLJT-UHFFFAOYSA-N 0 0 277.751 3.045 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001560886069 938281916 /nfs/dbraw/zinc/28/19/16/938281916.db2.gz UAFLDOMLWHRFCF-LLVKDONJSA-N 0 0 267.319 3.292 20 10 CGCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)C12CCCC2 ZINC001561016023 938289636 /nfs/dbraw/zinc/28/96/36/938289636.db2.gz MVWATKNKCBLCIV-CVEARBPZSA-N 0 0 293.382 3.359 20 10 CGCDRN CCC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(C)(C)C ZINC001569236795 961727524 /nfs/dbraw/zinc/72/75/24/961727524.db2.gz ODDULSTWEQSNHT-GFCCVEGCSA-N 0 0 279.380 3.351 20 10 CGCDRN CC1(C)Cc2cccc(C(=O)Nc3ccc(N)cc3)c2O1 ZINC001576488320 962467799 /nfs/dbraw/zinc/46/77/99/962467799.db2.gz XDWSXRACLOSZCV-UHFFFAOYSA-N 0 0 282.343 3.235 20 10 CGCDRN CN(Cc1nccn1Cc1ccccc1)c1ccc(N)cc1 ZINC001578504607 962597595 /nfs/dbraw/zinc/59/75/95/962597595.db2.gz QQYVBZJJQWOOHR-UHFFFAOYSA-N 0 0 292.386 3.150 20 10 CGCDRN COc1cccc2c1CC[C@@H]2OC(=O)Cc1ccc(N)cc1 ZINC001579290937 962617276 /nfs/dbraw/zinc/61/72/76/962617276.db2.gz OUDOAFDYVOUQOF-KRWDZBQOSA-N 0 0 297.354 3.051 20 10 CGCDRN Cc1ccc(F)cc1NC(=O)NCc1ccc(N)cc1 ZINC001579708494 962666389 /nfs/dbraw/zinc/66/63/89/962666389.db2.gz WQAOBYAKLFSLPO-UHFFFAOYSA-N 0 0 273.311 3.038 20 10 CGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2ccc(C)nc2)cc1 ZINC001583376661 962801507 /nfs/dbraw/zinc/80/15/07/962801507.db2.gz XEBDKVBJQCNDFG-IZZDOVSWSA-N 0 0 294.354 3.269 20 10 CGCDRN CN(CCC1CCCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001584234936 962904656 /nfs/dbraw/zinc/90/46/56/962904656.db2.gz UVJQJRDXMOQXHW-UHFFFAOYSA-N 0 0 291.391 3.069 20 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3.476 20 10 CGCDRN CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])[C@H](C)CC ZINC001595747637 982415117 /nfs/dbraw/zinc/41/51/17/982415117.db2.gz HFYTYTUTBDKQAR-CJNGLKHVSA-N 0 0 293.407 3.494 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593219801 994304436 /nfs/dbraw/zinc/30/44/36/994304436.db2.gz OUMUTPUJZHTFLK-PWSUYJOCSA-N 0 0 277.364 3.320 20 10 CGCDRN C[C@@H]([NH2+]CCC(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593261203 994548568 /nfs/dbraw/zinc/54/85/68/994548568.db2.gz KXVXOHUQLXZIPK-SNVBAGLBSA-N 0 0 265.353 3.177 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCCC2)c1[O-] ZINC000037323013 260159660 /nfs/dbraw/zinc/15/96/60/260159660.db2.gz LZDJJEKJGIGPNW-UHFFFAOYSA-N 0 0 265.328 3.108 20 10 CGCDRN CC[C@H](C)CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000353405623 529644686 /nfs/dbraw/zinc/64/46/86/529644686.db2.gz PBXVWWGTDPRQCM-ZDUSSCGKSA-N 0 0 290.407 3.304 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccoc2Cl)cc1 ZINC000192395656 529780160 /nfs/dbraw/zinc/78/01/60/529780160.db2.gz 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NKYFHZJJXSLHQX-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN Cc1nnc(NCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000287560510 371673310 /nfs/dbraw/zinc/67/33/10/371673310.db2.gz WRBHAQLDCUMFBV-UHFFFAOYSA-N 0 0 286.379 3.226 20 10 CGCDRN COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccccc1O ZINC000287828689 371710155 /nfs/dbraw/zinc/71/01/55/371710155.db2.gz PZLQQHGMKWCDOJ-UHFFFAOYSA-N 0 0 286.375 3.045 20 10 CGCDRN CC[C@H]([NH2+]CCCn1cccn1)c1cccc(Cl)c1[O-] ZINC000287748616 371700196 /nfs/dbraw/zinc/70/01/96/371700196.db2.gz QBDOVNDNABHQTO-AWEZNQCLSA-N 0 0 293.798 3.373 20 10 CGCDRN Cc1nc(C(C)C)ccc1C(=O)NCc1ccccc1O ZINC000293602460 372422259 /nfs/dbraw/zinc/42/22/59/372422259.db2.gz DUKFGGWICPHFOQ-UHFFFAOYSA-N 0 0 284.359 3.149 20 10 CGCDRN CC(C)OCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293638366 372432916 /nfs/dbraw/zinc/43/29/16/372432916.db2.gz NSHRZSLVRBKAFA-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN COC1(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000293747538 372468335 /nfs/dbraw/zinc/46/83/35/372468335.db2.gz PYDCMRZGGCQAMO-NSHDSACASA-N 0 0 267.344 3.141 20 10 CGCDRN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2c(C)cc(C)cc2O)[nH]n1 ZINC000294678358 372665394 /nfs/dbraw/zinc/66/53/94/372665394.db2.gz HZLRMWRQXIBUPX-OCCSQVGLSA-N 0 0 287.407 3.322 20 10 CGCDRN CC/C(C)=C/C(=O)NCc1ccc2c(c1)CCCN2C ZINC000294696383 372667492 /nfs/dbraw/zinc/66/74/92/372667492.db2.gz KWNTYBBBDGGLAX-JLHYYAGUSA-N 0 0 272.392 3.042 20 10 CGCDRN CCOC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294749609 372669802 /nfs/dbraw/zinc/66/98/02/372669802.db2.gz RILMUXOBYMIFLC-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN CC(C)C[C@@H](C)OC(=O)NCc1ccccc1O ZINC000295427392 372778546 /nfs/dbraw/zinc/77/85/46/372778546.db2.gz CUWUZQLRTHZWCE-LLVKDONJSA-N 0 0 251.326 3.053 20 10 CGCDRN CSc1ccccc1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000172355573 372948298 /nfs/dbraw/zinc/94/82/98/372948298.db2.gz WKLGICJLBSAZBQ-WDEREUQCSA-N 0 0 281.446 3.375 20 10 CGCDRN COc1cc(C)cc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296278839 373076685 /nfs/dbraw/zinc/07/66/85/373076685.db2.gz CDNXXTRPFWRFRI-MRXNPFEDSA-N 0 0 283.371 3.486 20 10 CGCDRN Nc1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000296870211 373251200 /nfs/dbraw/zinc/25/12/00/373251200.db2.gz DXJADVOZYIRGER-UHFFFAOYSA-N 0 0 294.398 3.007 20 10 CGCDRN Cc1ccc(C[C@@H](C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000297159122 373258399 /nfs/dbraw/zinc/25/83/99/373258399.db2.gz JMXXEIPRASSAMQ-CQSZACIVSA-N 0 0 282.387 3.072 20 10 CGCDRN COCCc1ccnc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297340822 373268133 /nfs/dbraw/zinc/26/81/33/373268133.db2.gz OMNNBCBRWYXKEG-CQSZACIVSA-N 0 0 284.359 3.076 20 10 CGCDRN CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298329367 373294747 /nfs/dbraw/zinc/29/47/47/373294747.db2.gz NUSZELXDGGBQGJ-LLVKDONJSA-N 0 0 271.364 3.017 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)C(C)(C)C)C2CC2)cc1 ZINC000298417916 373322356 /nfs/dbraw/zinc/32/23/56/373322356.db2.gz ZWZPPAJNSKUBEC-UHFFFAOYSA-N 0 0 274.408 3.290 20 10 CGCDRN O=C(CSc1nccs1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000298764040 373403346 /nfs/dbraw/zinc/40/33/46/373403346.db2.gz DUTPAXVMJKBZQR-NWDGAFQWSA-N 0 0 296.461 3.416 20 10 CGCDRN CC1CCC(N(C)C(=O)CSc2nccs2)CC1 ZINC000298723316 373393408 /nfs/dbraw/zinc/39/34/08/373393408.db2.gz LPJNMSUGEPSWKX-UHFFFAOYSA-N 0 0 284.450 3.272 20 10 CGCDRN O=C(CCC1CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000175972781 373543792 /nfs/dbraw/zinc/54/37/92/373543792.db2.gz VPDQLBKVGHUJER-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ncncc2Cl)c1 ZINC000302679696 373926603 /nfs/dbraw/zinc/92/66/03/373926603.db2.gz WDRPZALUEZGTFG-MRVPVSSYSA-N 0 0 279.727 3.017 20 10 CGCDRN CCOC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180258239 373984600 /nfs/dbraw/zinc/98/46/00/373984600.db2.gz CWWXIJJAGTZCNN-GFCCVEGCSA-N 0 0 283.799 3.294 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000180282402 373986681 /nfs/dbraw/zinc/98/66/81/373986681.db2.gz ZAGOXZJXZQLIOI-UHFFFAOYSA-N 0 0 251.757 3.422 20 10 CGCDRN Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183522055 374422205 /nfs/dbraw/zinc/42/22/05/374422205.db2.gz OBYMUQNQBOMJQN-QWRGUYRKSA-N 0 0 274.364 3.279 20 10 CGCDRN CCC1(C(=O)NCc2cccc(OC)c2O)CCCCC1 ZINC000184216656 374503809 /nfs/dbraw/zinc/50/38/09/374503809.db2.gz FEKJQFQYGBBQSL-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C=CCCC1 ZINC000472051038 375010193 /nfs/dbraw/zinc/01/01/93/375010193.db2.gz CYFMHGKPNUXGHT-AWEZNQCLSA-N 0 0 297.402 3.395 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC1CCC1 ZINC000472218098 375011491 /nfs/dbraw/zinc/01/14/91/375011491.db2.gz AKKGQBQRXCLXTL-UHFFFAOYSA-N 0 0 299.418 3.428 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C)CC1 ZINC000472274879 375014452 /nfs/dbraw/zinc/01/44/52/375014452.db2.gz JTAKBTMBTWWZPG-UHFFFAOYSA-N 0 0 299.418 3.428 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000187805857 375099318 /nfs/dbraw/zinc/09/93/18/375099318.db2.gz SCABKYDYWNTDEN-VHSXEESVSA-N 0 0 285.334 3.279 20 10 CGCDRN CC[C@@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000188613359 375242417 /nfs/dbraw/zinc/24/24/17/375242417.db2.gz SQVMPIWEMNCEQX-CQSZACIVSA-N 0 0 274.408 3.339 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCCOCC(F)F ZINC000188843038 375279688 /nfs/dbraw/zinc/27/96/88/375279688.db2.gz KSNIRSBMNPXRPY-UHFFFAOYSA-N 0 0 298.358 3.461 20 10 CGCDRN CCN(C(=O)/C=C\c1scnc1C)c1ncccc1C ZINC000492623889 375448614 /nfs/dbraw/zinc/44/86/14/375448614.db2.gz ZSYXOOYCZVQODN-FPLPWBNLSA-N 0 0 287.388 3.221 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2cccc(F)c2O1 ZINC000492736274 375450992 /nfs/dbraw/zinc/45/09/92/375450992.db2.gz MDOMIHAVEQDKGW-QDZRJHCZSA-N 0 0 298.317 3.048 20 10 CGCDRN COc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000226588053 376366262 /nfs/dbraw/zinc/36/62/62/376366262.db2.gz KXDUXMVFOCSRRA-NSHDSACASA-N 0 0 275.323 3.391 20 10 CGCDRN CN(C(=O)/C=C\c1cccnc1)c1cccc2ncccc21 ZINC000255068696 377729075 /nfs/dbraw/zinc/72/90/75/377729075.db2.gz ONBZUXMEWLJLDX-KTKRTIGZSA-N 0 0 289.338 3.306 20 10 CGCDRN C[C@@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000266148411 378016893 /nfs/dbraw/zinc/01/68/93/378016893.db2.gz JIGOUQTYGVMWSC-AWEZNQCLSA-N 0 0 285.387 3.167 20 10 CGCDRN Cc1ccc(O)c(CNCc2nnc(C(C)(C)C)s2)c1 ZINC000268170726 378049675 /nfs/dbraw/zinc/04/96/75/378049675.db2.gz GOVSQESZLWBONR-UHFFFAOYSA-N 0 0 291.420 3.139 20 10 CGCDRN CC1(C)Cc2cc(NC(=O)Cc3ccc(N)cc3)ccc2O1 ZINC000269223836 378198888 /nfs/dbraw/zinc/19/88/88/378198888.db2.gz CGQXSDXKWGGXKI-UHFFFAOYSA-N 0 0 296.370 3.164 20 10 CGCDRN C[C@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1cccs1 ZINC000271817678 378507723 /nfs/dbraw/zinc/50/77/23/378507723.db2.gz MHHBRCQPDJQAOQ-AWEZNQCLSA-N 0 0 297.807 3.104 20 10 CGCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2ccccc2)C1 ZINC000272310281 378610417 /nfs/dbraw/zinc/61/04/17/378610417.db2.gz RIVDUKIUVTVLAQ-KRWDZBQOSA-N 0 0 287.334 3.105 20 10 CGCDRN CN(C)c1cccc(C[N@H+](C)Cc2cccc(F)c2[O-])c1 ZINC000272363566 378620171 /nfs/dbraw/zinc/62/01/71/378620171.db2.gz FSFJNGUXHGFNPY-UHFFFAOYSA-N 0 0 288.366 3.229 20 10 CGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272646289 378682622 /nfs/dbraw/zinc/68/26/22/378682622.db2.gz PDOMDGDRHJLDLG-FZMZJTMJSA-N 0 0 283.799 3.029 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282834065 379997759 /nfs/dbraw/zinc/99/77/59/379997759.db2.gz UZICQMNKLBIAIV-CQSZACIVSA-N 0 0 295.810 3.485 20 10 CGCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284297295 380139243 /nfs/dbraw/zinc/13/92/43/380139243.db2.gz YLYLPNBUVKZWOK-WHOFXGATSA-N 0 0 265.397 3.067 20 10 CGCDRN CC(C)c1[nH]ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000284835741 380142943 /nfs/dbraw/zinc/14/29/43/380142943.db2.gz BMDLYALCEYJJHM-UHFFFAOYSA-N 0 0 285.391 3.134 20 10 CGCDRN CC[C@H]([NH2+]CCc1cccnc1)c1ccc(F)cc1[O-] ZINC000285478485 380147365 /nfs/dbraw/zinc/14/73/65/380147365.db2.gz BIVYKWSPPHLDEA-HNNXBMFYSA-N 0 0 274.339 3.210 20 10 CGCDRN CC[C@H]([NH2+]C1CCSCC1)c1ccc(F)cc1[O-] ZINC000286334179 380197022 /nfs/dbraw/zinc/19/70/22/380197022.db2.gz XZWMPZMECNFMRC-ZDUSSCGKSA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@H]([NH2+]CCc1ccncc1)c1ccc(F)cc1[O-] ZINC000285904229 380152845 /nfs/dbraw/zinc/15/28/45/380152845.db2.gz CVXYAFDIASCYGR-HNNXBMFYSA-N 0 0 274.339 3.210 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000286045093 380159125 /nfs/dbraw/zinc/15/91/25/380159125.db2.gz JYYRYGCHYAAPEB-CMPLNLGQSA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(C)CC1 ZINC000725849677 572443301 /nfs/dbraw/zinc/44/33/01/572443301.db2.gz UNNBNDZUISERSP-MRVPVSSYSA-N 0 0 284.743 3.232 20 10 CGCDRN CC(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000732281434 572457763 /nfs/dbraw/zinc/45/77/63/572457763.db2.gz HUOPZSBERVYHKR-JTQLQIEISA-N 0 0 253.367 3.104 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000363845759 382258649 /nfs/dbraw/zinc/25/86/49/382258649.db2.gz BEOVZYYRPAGTCM-SQWYCQTGSA-N 0 0 293.382 3.386 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000367350932 382344935 /nfs/dbraw/zinc/34/49/35/382344935.db2.gz ZCCJCXXRFHKZMK-CQSZACIVSA-N 0 0 287.334 3.015 20 10 CGCDRN COCc1ccccc1NCc1cc(OC)ccc1O ZINC000036938295 260054152 /nfs/dbraw/zinc/05/41/52/260054152.db2.gz DUEKMFZGPVGVDH-UHFFFAOYSA-N 0 0 273.332 3.159 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)C3CCC3)cc2)CC1 ZINC000108294775 392340602 /nfs/dbraw/zinc/34/06/02/392340602.db2.gz XCOJGFMEIWQFCI-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000160245200 392581786 /nfs/dbraw/zinc/58/17/86/392581786.db2.gz VFSZPTYJAGASSR-UHFFFAOYSA-N 0 0 277.261 3.306 20 10 CGCDRN Cc1ccc(C(=O)N(Cc2ccccc2)C2CC2)c(O)c1O ZINC000177668485 392665122 /nfs/dbraw/zinc/66/51/22/392665122.db2.gz HUJGWCADVPBZNC-UHFFFAOYSA-N 0 0 297.354 3.211 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)C2CC2)cc1 ZINC000178439339 392678640 /nfs/dbraw/zinc/67/86/40/392678640.db2.gz SUXNXAAMIRQQSL-ZDUSSCGKSA-N 0 0 274.408 3.195 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c(O)c1O ZINC000179416939 392699815 /nfs/dbraw/zinc/69/98/15/392699815.db2.gz IXVDYMAXWAAJED-ZWNOBZJWSA-N 0 0 277.364 3.057 20 10 CGCDRN COC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CCCC1 ZINC000297264085 292122850 /nfs/dbraw/zinc/12/28/50/292122850.db2.gz KGGIZEKBHLAMML-SNVBAGLBSA-N 0 0 285.334 3.280 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000297186671 286909041 /nfs/dbraw/zinc/90/90/41/286909041.db2.gz FDVGZNVEURUPBA-SMDDNHRTSA-N 0 0 285.815 3.495 20 10 CGCDRN C[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1O ZINC000019966245 170947588 /nfs/dbraw/zinc/94/75/88/170947588.db2.gz PNHAKDIWLNMUQB-JTQLQIEISA-N 0 0 257.289 3.294 20 10 CGCDRN Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1C ZINC000020185769 171049518 /nfs/dbraw/zinc/04/95/18/171049518.db2.gz IRZOSIRHFKNMIF-UHFFFAOYSA-N 0 0 254.333 3.067 20 10 CGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1c(F)cccc1F ZINC000171741749 335076930 /nfs/dbraw/zinc/07/69/30/335076930.db2.gz WYDZBECRKXYUHB-AATRIKPKSA-N 0 0 292.260 3.175 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(CCF)CC1 ZINC000355300251 227605129 /nfs/dbraw/zinc/60/51/29/227605129.db2.gz SBNSCCOFURMXIM-UHFFFAOYSA-N 0 0 288.366 3.243 20 10 CGCDRN Fc1cccc2c(Sc3nccs3)ncnc12 ZINC000302674177 227874438 /nfs/dbraw/zinc/87/44/38/227874438.db2.gz LZFGIYXVYNRBBD-UHFFFAOYSA-N 0 0 263.322 3.377 20 10 CGCDRN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185711399 262067832 /nfs/dbraw/zinc/06/78/32/262067832.db2.gz NUSKVSRBSUEPAB-SJORKVTESA-N 0 0 286.419 3.195 20 10 CGCDRN CSCCCCCNC(=O)N(C)Cc1ccccc1O ZINC000186161389 262082390 /nfs/dbraw/zinc/08/23/90/262082390.db2.gz YQSYQMBVMROTBZ-UHFFFAOYSA-N 0 0 296.436 3.067 20 10 CGCDRN CC[C@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C ZINC000186395458 262092072 /nfs/dbraw/zinc/09/20/72/262092072.db2.gz YZZDVKRNIUUYFI-TZMCWYRMSA-N 0 0 293.407 3.217 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H]2CCCc3sccc32)cc1 ZINC000061330256 262394405 /nfs/dbraw/zinc/39/44/05/262394405.db2.gz ZTQBUWRBDPAJIW-AWEZNQCLSA-N 0 0 286.400 3.067 20 10 CGCDRN Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000277004656 263039340 /nfs/dbraw/zinc/03/93/40/263039340.db2.gz ZYVCCCGNLNHUSZ-RQJHMYQMSA-N 0 0 299.346 3.242 20 10 CGCDRN Cc1nnc(-c2cccc(NCc3ccccc3O)c2)n1C ZINC000362221859 266947965 /nfs/dbraw/zinc/94/79/65/266947965.db2.gz QNGKCVOQVSDOET-UHFFFAOYSA-N 0 0 294.358 3.108 20 10 CGCDRN C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000368141841 267148399 /nfs/dbraw/zinc/14/83/99/267148399.db2.gz HAOAXZBIOIWCFP-MEBBXXQBSA-N 0 0 273.307 3.143 20 10 CGCDRN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC3)CC2)c1[O-] ZINC000376800497 268019371 /nfs/dbraw/zinc/01/93/71/268019371.db2.gz ZUBFUNCIFXCWAV-UHFFFAOYSA-N 0 0 277.339 3.110 20 10 CGCDRN Cc1ccc(F)c(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000265448253 278811727 /nfs/dbraw/zinc/81/17/27/278811727.db2.gz RNBVMYPMVIRVDI-GHXNOFRVSA-N 0 0 293.388 3.498 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)CC(C)C)c1cccc(Cl)c1[O-] ZINC000287697747 288085281 /nfs/dbraw/zinc/08/52/81/288085281.db2.gz NMFOOTCSVZCOAX-FZMZJTMJSA-N 0 0 285.815 3.493 20 10 CGCDRN CC(C)=CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000276884473 328219757 /nfs/dbraw/zinc/21/97/57/328219757.db2.gz RVCFYPQKKRXGLB-UHFFFAOYSA-N 0 0 289.423 3.250 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H]2CCO[C@H]21 ZINC000293754464 328277589 /nfs/dbraw/zinc/27/75/89/328277589.db2.gz YLRRDJNUUHWMHT-OWYVNGRQSA-N 0 0 299.773 3.088 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C)C1 ZINC000410412149 327192281 /nfs/dbraw/zinc/19/22/81/327192281.db2.gz ANSOPMOVTPLSES-GFCCVEGCSA-N 0 0 285.391 3.038 20 10 CGCDRN COCCC1CC[NH+]([C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000527933936 330297813 /nfs/dbraw/zinc/29/78/13/330297813.db2.gz JKSMMNKBNDIYRW-LBPRGKRZSA-N 0 0 281.371 3.341 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[C@@H]1C ZINC000458730482 331258150 /nfs/dbraw/zinc/25/81/50/331258150.db2.gz GADMLTNCXRJIDN-YPMHNXCESA-N 0 0 285.391 3.037 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(F)c(F)c2)s1 ZINC000254993438 334498326 /nfs/dbraw/zinc/49/83/26/334498326.db2.gz XMZXMYNKXPYKFP-XQRVVYSFSA-N 0 0 294.326 3.406 20 10 CGCDRN CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000049401443 519676933 /nfs/dbraw/zinc/67/69/33/519676933.db2.gz ATZVKYIOTYFQGR-UHFFFAOYSA-N 0 0 260.381 3.092 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)NCc2nccs2)cc1 ZINC000128140705 520284216 /nfs/dbraw/zinc/28/42/16/520284216.db2.gz JFYWCHJIICANCX-GFCCVEGCSA-N 0 0 275.421 3.450 20 10 CGCDRN CCO[C@H](C[NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000278607509 520520873 /nfs/dbraw/zinc/52/08/73/520520873.db2.gz GFZONXYTUKFKHS-MRXNPFEDSA-N 0 0 289.350 3.399 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]1C ZINC000283628392 520547254 /nfs/dbraw/zinc/54/72/54/520547254.db2.gz BGNGXTFGDANXOQ-ZFWWWQNUSA-N 0 0 290.407 3.360 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccnc1 ZINC000053251337 521317168 /nfs/dbraw/zinc/31/71/68/521317168.db2.gz ZXZOJDNHSYMSOF-UHFFFAOYSA-N 0 0 298.390 3.202 20 10 CGCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)C(C)C ZINC000278272280 521330627 /nfs/dbraw/zinc/33/06/27/521330627.db2.gz RVCBHTWBDWRIIR-NSHDSACASA-N 0 0 296.367 3.175 20 10 CGCDRN CC[N@H+](Cc1cccc(F)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291604759 521350442 /nfs/dbraw/zinc/35/04/42/521350442.db2.gz QQSZGYOKKIGXQT-CYBMUJFWSA-N 0 0 281.371 3.311 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCC1CC1 ZINC000115711693 521686913 /nfs/dbraw/zinc/68/69/13/521686913.db2.gz RZFAJXKROAURHG-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)C ZINC000066701334 521687640 /nfs/dbraw/zinc/68/76/40/521687640.db2.gz PDFDLFVSGHBRHJ-UHFFFAOYSA-N 0 0 278.396 3.360 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnc(C)c1 ZINC000279415822 521690194 /nfs/dbraw/zinc/69/01/94/521690194.db2.gz JHUWZFVAWOXYBY-UHFFFAOYSA-N 0 0 284.359 3.148 20 10 CGCDRN COc1ccc(N(C)CCCOCC(F)(F)F)cc1F ZINC000121794909 524350386 /nfs/dbraw/zinc/35/03/86/524350386.db2.gz LEFYAZCBXSNATK-UHFFFAOYSA-N 0 0 295.276 3.240 20 10 CGCDRN COc1ccc(N(CCC2OCCO2)[C@H](C)C2CC2)cc1 ZINC000124948190 524367203 /nfs/dbraw/zinc/36/72/03/524367203.db2.gz VNZVTCPITABEBQ-CYBMUJFWSA-N 0 0 291.391 3.063 20 10 CGCDRN Cc1cccc(CN[C@H](C2CC2)C(F)(F)F)c1O ZINC000290279804 524441767 /nfs/dbraw/zinc/44/17/67/524441767.db2.gz YZQWIYJNUQVXGA-GFCCVEGCSA-N 0 0 259.271 3.131 20 10 CGCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000287313027 524772841 /nfs/dbraw/zinc/77/28/41/524772841.db2.gz LKDABDACJCJETJ-YUMQZZPRSA-N 0 0 263.259 3.002 20 10 CGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)c1ccccc1 ZINC000237658819 524988029 /nfs/dbraw/zinc/98/80/29/524988029.db2.gz IOMUBBYGGBNQBG-AWEZNQCLSA-N 0 0 296.414 3.294 20 10 CGCDRN Cc1ccccc1[C@@H](NC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000269242097 525370160 /nfs/dbraw/zinc/37/01/60/525370160.db2.gz ZQRANPCRMCIATC-IBGZPJMESA-N 0 0 294.398 3.387 20 10 CGCDRN Cc1cc(Sc2nccs2)nc(-c2cccnc2)n1 ZINC000301132313 525444189 /nfs/dbraw/zinc/44/41/89/525444189.db2.gz WLSMKPFBWMOXFR-UHFFFAOYSA-N 0 0 286.385 3.455 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278890102 525490065 /nfs/dbraw/zinc/49/00/65/525490065.db2.gz YNUAZTZYCJHXFL-DTWKUNHWSA-N 0 0 291.222 3.300 20 10 CGCDRN Cc1ccc(C(C)(C)CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237637293 526245421 /nfs/dbraw/zinc/24/54/21/526245421.db2.gz QJAVZQVTNMPUKJ-UHFFFAOYSA-N 0 0 296.414 3.214 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1noc2c1CCCC2 ZINC000290283824 526328667 /nfs/dbraw/zinc/32/86/67/526328667.db2.gz ZLMVDCOIDBTNMA-UHFFFAOYSA-N 0 0 292.766 3.202 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000237884121 527475911 /nfs/dbraw/zinc/47/59/11/527475911.db2.gz YUKRWWYDUGLPFU-KRWDZBQOSA-N 0 0 298.361 3.314 20 10 CGCDRN CCN(CC)c1ccc(CNc2ncc(F)cn2)cc1F ZINC000301749213 528309111 /nfs/dbraw/zinc/30/91/11/528309111.db2.gz AEIHXCVFRZDJQG-UHFFFAOYSA-N 0 0 292.333 3.213 20 10 CGCDRN COc1ccc(N(CC(=O)OC(C)(C)C)C(C)C)cc1F ZINC000728928299 571848941 /nfs/dbraw/zinc/84/89/41/571848941.db2.gz PSZVCBHYXDWEGW-UHFFFAOYSA-N 0 0 297.370 3.391 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(C)cc2)c1 ZINC000728984091 571852347 /nfs/dbraw/zinc/85/23/47/571852347.db2.gz KTDAIMWTUPFSIM-CYBMUJFWSA-N 0 0 299.370 3.129 20 10 CGCDRN CCN1C(=O)/C(=C\c2ccc(C)c(F)c2)SC1=S ZINC000731488957 572414773 /nfs/dbraw/zinc/41/47/73/572414773.db2.gz WYLJWQQNHKWLEW-YRNVUSSQSA-N 0 0 281.377 3.355 20 10 CGCDRN O=C(Nc1ccc(OC(F)F)cc1)C1=CC(=O)CS1 ZINC000731865337 572430545 /nfs/dbraw/zinc/43/05/45/572430545.db2.gz BJLDPLGXOFOPDR-UHFFFAOYSA-N 0 0 285.271 3.307 20 10 CGCDRN CS[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000740084376 572432164 /nfs/dbraw/zinc/43/21/64/572432164.db2.gz XOYBLPCKRSSMAL-OAHLLOKOSA-N 0 0 287.384 3.113 20 10 CGCDRN COc1ccc([C@H](C)N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000732267047 572455169 /nfs/dbraw/zinc/45/51/69/572455169.db2.gz UGKKCHTVPWQKLG-JTQLQIEISA-N 0 0 291.372 3.296 20 10 CGCDRN C/C(=C/C(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000732279614 572458308 /nfs/dbraw/zinc/45/83/08/572458308.db2.gz NHBMDNQVYPBDGD-XFXZXTDPSA-N 0 0 285.318 3.251 20 10 CGCDRN CC[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000740920764 572468340 /nfs/dbraw/zinc/46/83/40/572468340.db2.gz OLXCVJSALQFCJS-OCCSQVGLSA-N 0 0 276.380 3.160 20 10 CGCDRN COc1ccc(N(C)Cc2sc(C)nc2C)cc1OC ZINC000741781794 572527074 /nfs/dbraw/zinc/52/70/74/572527074.db2.gz CTSRFKKWSDHLTJ-UHFFFAOYSA-N 0 0 292.404 3.414 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1Cl ZINC000733223430 572544473 /nfs/dbraw/zinc/54/44/73/572544473.db2.gz ISVRXRISLXSMNV-GQCTYLIASA-N 0 0 287.750 3.115 20 10 CGCDRN CCC/C=C\C(=O)NCCCSc1nccs1 ZINC000733972530 572621113 /nfs/dbraw/zinc/62/11/13/572621113.db2.gz IEMHEUSPRJYUCH-XQRVVYSFSA-N 0 0 270.423 3.098 20 10 CGCDRN CCC/C(C)=C/C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742952938 572627212 /nfs/dbraw/zinc/62/72/12/572627212.db2.gz VABMNNIPTVWDLP-ACCUITESSA-N 0 0 288.391 3.224 20 10 CGCDRN CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000743395712 572656903 /nfs/dbraw/zinc/65/69/03/572656903.db2.gz LFFWVDMZUGARPD-QGZVFWFLSA-N 0 0 291.460 3.454 20 10 CGCDRN CCN(Cc1ncc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000743840174 572686755 /nfs/dbraw/zinc/68/67/55/572686755.db2.gz ZUSGOXXZJOMKPC-UHFFFAOYSA-N 0 0 273.380 3.071 20 10 CGCDRN COCCN(CC1CCCC1)c1ccc(OC)c(OC)c1 ZINC000746474905 572872977 /nfs/dbraw/zinc/87/29/77/572872977.db2.gz OPPPPSUYTYUYMY-UHFFFAOYSA-N 0 0 293.407 3.347 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC2(C)C)cc1 ZINC000747579480 572935986 /nfs/dbraw/zinc/93/59/86/572935986.db2.gz OVAZKIKGEOYXLP-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN CCN(Cc1cnccc1C)c1ccc(OC)cc1 ZINC000747683315 572941304 /nfs/dbraw/zinc/94/13/04/572941304.db2.gz UPJZCXPVWHBJRN-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN Fc1cccc(CNC(=S)Nc2cccc(Cl)c2)n1 ZINC000747720220 572942635 /nfs/dbraw/zinc/94/26/35/572942635.db2.gz GGDCHGWEZNWYJT-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN CC(C)c1ccc(C(=O)NCc2ccccc2O)c(O)c1 ZINC000748345354 572974489 /nfs/dbraw/zinc/97/44/89/572974489.db2.gz KEILGLBPZJRVAO-UHFFFAOYSA-N 0 0 285.343 3.151 20 10 CGCDRN Cc1cccc(C)c1NC(=O)NCc1ccccc1O ZINC000748438248 572976733 /nfs/dbraw/zinc/97/67/33/572976733.db2.gz FMUHBYBTLDJSCG-UHFFFAOYSA-N 0 0 270.332 3.331 20 10 CGCDRN CN(C)c1ccc(CN(c2ccccn2)C2CC2)cc1 ZINC000749271396 572991333 /nfs/dbraw/zinc/99/13/33/572991333.db2.gz CZEGHQPMNJAQKS-UHFFFAOYSA-N 0 0 267.376 3.317 20 10 CGCDRN CON(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000749565652 573019558 /nfs/dbraw/zinc/01/95/58/573019558.db2.gz UZPRTDRIGMFWKR-UHFFFAOYSA-N 0 0 272.348 3.036 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1cccc(Cl)c1[O-] ZINC000806136334 617973887 /nfs/dbraw/zinc/97/38/87/617973887.db2.gz WUNOAJAHCXGFSH-FZMZJTMJSA-N 0 0 285.815 3.493 20 10 CGCDRN CC[C@H]([NH2+]CCc1cncn1C)c1cccc(Cl)c1[O-] ZINC000806159342 617654132 /nfs/dbraw/zinc/65/41/32/617654132.db2.gz GKTNYGOIXJMLKH-AWEZNQCLSA-N 0 0 293.798 3.063 20 10 CGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890759859 617816763 /nfs/dbraw/zinc/81/67/63/617816763.db2.gz SPTHFGWEEAQLNE-ABAIWWIYSA-N 0 0 281.783 3.344 20 10 CGCDRN C[C@@H](CC(=O)NCc1cccc(Cl)c1O)c1ccco1 ZINC000890761735 617817305 /nfs/dbraw/zinc/81/73/05/617817305.db2.gz WHYJZYKTBLAYGK-JTQLQIEISA-N 0 0 293.750 3.449 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806129231 617829584 /nfs/dbraw/zinc/82/95/84/617829584.db2.gz CUKGJRXHBYCJOV-QWHCGFSZSA-N 0 0 295.766 3.413 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806131130 617834466 /nfs/dbraw/zinc/83/44/66/617834466.db2.gz GQOKNKQGSNTTLZ-HUUCEWRRSA-N 0 0 296.842 3.427 20 10 CGCDRN CN(Cc1nc(C(C)(C)C)co1)Cc1ccccc1O ZINC000891714478 618254837 /nfs/dbraw/zinc/25/48/37/618254837.db2.gz ZNBGOBGGHGQJEW-UHFFFAOYSA-N 0 0 274.364 3.310 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1 ZINC000255476996 618565209 /nfs/dbraw/zinc/56/52/09/618565209.db2.gz MKNQHUVPVRBLLH-YFHOEESVSA-N 0 0 252.317 3.066 20 10 CGCDRN C[S@@](=O)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000121834563 618650806 /nfs/dbraw/zinc/65/08/06/618650806.db2.gz AMDFAHADXHGQKT-IBGZPJMESA-N 0 0 295.791 3.395 20 10 CGCDRN C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000184969500 625284805 /nfs/dbraw/zinc/28/48/05/625284805.db2.gz KFWVTRSKRZNXAE-LBPRGKRZSA-N 0 0 299.349 3.072 20 10 CGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC(C)C)sc2n1 ZINC000013211678 618748389 /nfs/dbraw/zinc/74/83/89/618748389.db2.gz ILVYZPPKKLEZQO-UHFFFAOYSA-N 0 0 278.377 3.308 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(F)cc1[O-] ZINC000310544423 618799467 /nfs/dbraw/zinc/79/94/67/618799467.db2.gz DFBJOXPBWULMLD-AUTRQRHGSA-N 0 0 255.358 3.076 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC000052851192 618851072 /nfs/dbraw/zinc/85/10/72/618851072.db2.gz NUUYCYUGUANJOS-UHFFFAOYSA-N 0 0 282.387 3.415 20 10 CGCDRN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C)c1O ZINC000162819005 618883299 /nfs/dbraw/zinc/88/32/99/618883299.db2.gz JGTVOCFEFXHMSM-JTQLQIEISA-N 0 0 284.197 3.447 20 10 CGCDRN CCc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180619187 619018087 /nfs/dbraw/zinc/01/80/87/619018087.db2.gz XRZVCVJKLDFVDS-CSKARUKUSA-N 0 0 283.327 3.312 20 10 CGCDRN COc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000120104186 619104417 /nfs/dbraw/zinc/10/44/17/619104417.db2.gz AHQWAMMIWNURNN-UHFFFAOYSA-N 0 0 298.386 3.144 20 10 CGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC000776229794 619117838 /nfs/dbraw/zinc/11/78/38/619117838.db2.gz DJRFKYWSWHDKRE-NEPJUHHUSA-N 0 0 287.762 3.088 20 10 CGCDRN CN1C(=O)/C(=C/c2cc(F)cc(Cl)c2)SC1=S ZINC000776723814 619140927 /nfs/dbraw/zinc/14/09/27/619140927.db2.gz MDKLXRJHUOPNQL-WTKPLQERSA-N 0 0 287.768 3.310 20 10 CGCDRN OCCc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000313142318 619163643 /nfs/dbraw/zinc/16/36/43/619163643.db2.gz ORDFAZBDWTUYJS-OAHLLOKOSA-N 0 0 269.344 3.026 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)C2)c1O ZINC000313355625 619168563 /nfs/dbraw/zinc/16/85/63/619168563.db2.gz WVRYVMUYZQNZEP-UHFFFAOYSA-N 0 0 289.709 3.089 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCO1 ZINC000248521367 619182823 /nfs/dbraw/zinc/18/28/23/619182823.db2.gz RNENWFHOEHYREA-DGFSRKRXSA-N 0 0 267.344 3.140 20 10 CGCDRN COc1cc(Cl)cc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000184683572 619220093 /nfs/dbraw/zinc/22/00/93/619220093.db2.gz SSVROCNIMBFCPL-SNVBAGLBSA-N 0 0 299.798 3.054 20 10 CGCDRN O=C(NCCC1CCC1)NCc1cccc(Cl)c1O ZINC000893573641 619226665 /nfs/dbraw/zinc/22/66/65/619226665.db2.gz PIKGWMNYFLCNFJ-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN Cc1[nH]c2ccc(C(=O)NCc3ccccc3O)cc2c1C ZINC000318779350 619273027 /nfs/dbraw/zinc/27/30/27/619273027.db2.gz NZVQNIVBCPCSRW-UHFFFAOYSA-N 0 0 294.354 3.420 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000062960019 619283295 /nfs/dbraw/zinc/28/32/95/619283295.db2.gz WRMGBNVEQBKAOI-UHFFFAOYSA-N 0 0 273.380 3.457 20 10 CGCDRN COc1ccc(O)c(CNc2cc(OC)ccc2F)c1 ZINC000094855155 619288302 /nfs/dbraw/zinc/28/83/02/619288302.db2.gz WEZSFRTWUQXRLY-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN C[C@H](NC(=O)CSc1nccs1)c1ccc(F)cc1 ZINC000047243676 619384967 /nfs/dbraw/zinc/38/49/67/619384967.db2.gz RLJZHGCDZFGLAQ-VIFPVBQESA-N 0 0 296.392 3.252 20 10 CGCDRN C[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000894329551 619494294 /nfs/dbraw/zinc/49/42/94/619494294.db2.gz TVGOFBFAMHFBMP-ONGXEEELSA-N 0 0 282.771 3.033 20 10 CGCDRN CCCOc1ccc(CN[C@@H](C)c2nnc(C)[nH]2)cc1C ZINC000894776950 619630067 /nfs/dbraw/zinc/63/00/67/619630067.db2.gz GKYDEBLHRTZYJN-LBPRGKRZSA-N 0 0 288.395 3.061 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000894780157 619634184 /nfs/dbraw/zinc/63/41/84/619634184.db2.gz YEJUQJGVGFWNRH-UHFFFAOYSA-N 0 0 290.313 3.230 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC12CCCC2 ZINC000895133756 619746990 /nfs/dbraw/zinc/74/69/90/619746990.db2.gz OQVBZHQXZKMOMH-UHFFFAOYSA-N 0 0 253.292 3.189 20 10 CGCDRN COc1cc(C)cc(CNc2ccc3c(c2)CCOC3)c1O ZINC000895277331 619793816 /nfs/dbraw/zinc/79/38/16/619793816.db2.gz FPUHCCXIFJFNFN-UHFFFAOYSA-N 0 0 299.370 3.394 20 10 CGCDRN Oc1c(CN2CC[C@H]2C(F)F)ccc2ccccc21 ZINC000895432011 619825342 /nfs/dbraw/zinc/82/53/42/619825342.db2.gz SHXKMYWUNKCHHK-ZDUSSCGKSA-N 0 0 263.287 3.385 20 10 CGCDRN CCC[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895446708 619830508 /nfs/dbraw/zinc/83/05/08/619830508.db2.gz DNYQBRRKOHYLFL-QMMMGPOBSA-N 0 0 279.361 3.231 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@@H](c3nccs3)C2)ccc(F)c1F ZINC000895582755 619856267 /nfs/dbraw/zinc/85/62/67/619856267.db2.gz LTSFWPWUSRARNU-SNVBAGLBSA-N 0 0 296.342 3.116 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844429 619892772 /nfs/dbraw/zinc/89/27/72/619892772.db2.gz FOTGYTBAMMZKMT-MEBBXXQBSA-N 0 0 299.773 3.186 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)NC[C@]12C[C@H]1CCC2 ZINC000896747041 620055553 /nfs/dbraw/zinc/05/55/53/620055553.db2.gz IPIHOWCSIXEYOZ-ABAIWWIYSA-N 0 0 294.782 3.035 20 10 CGCDRN CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000896870074 620081719 /nfs/dbraw/zinc/08/17/19/620081719.db2.gz WREFFMKXVHXUIL-UHFFFAOYSA-N 0 0 291.372 3.233 20 10 CGCDRN C[C@@H](NC(=O)NCC(C)(C)C1CC1)c1ccccc1O ZINC000896974022 620115535 /nfs/dbraw/zinc/11/55/35/620115535.db2.gz ZHQNUKPMJJOWMD-LLVKDONJSA-N 0 0 276.380 3.189 20 10 CGCDRN Oc1cc2c(cc1CNc1ccc(C3CC3)cn1)OCO2 ZINC000897712410 620422050 /nfs/dbraw/zinc/42/20/50/620422050.db2.gz OLXQCHFFMVXEBF-UHFFFAOYSA-N 0 0 284.315 3.005 20 10 CGCDRN Cc1cccc(CNCc2nc(C(C)(C)C)co2)c1O ZINC000897945097 620453517 /nfs/dbraw/zinc/45/35/17/620453517.db2.gz ZBTUFUTXGOIBLB-UHFFFAOYSA-N 0 0 274.364 3.276 20 10 CGCDRN CC(C)C[C@H](CN)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841037659 620474735 /nfs/dbraw/zinc/47/47/35/620474735.db2.gz CQDGDYTYZHHCEO-LLVKDONJSA-N 0 0 291.222 3.162 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000898214358 620488373 /nfs/dbraw/zinc/48/83/73/620488373.db2.gz AVZPAQYTWKISAE-MRVPVSSYSA-N 0 0 280.582 3.329 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C/C=C/Cl)c1 ZINC000898433063 620587178 /nfs/dbraw/zinc/58/71/78/620587178.db2.gz KVDJPDNVSAIHAC-NSCUHMNNSA-N 0 0 290.588 3.305 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1C ZINC000042116727 620611331 /nfs/dbraw/zinc/61/13/31/620611331.db2.gz NAZRLIYJMWFLBI-UHFFFAOYSA-N 0 0 269.344 3.281 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@@H]2C[C@H]3COC[C@@H]3O2)s1 ZINC000901509328 620908219 /nfs/dbraw/zinc/90/82/19/620908219.db2.gz MWAFXHPHWHGXKN-DCAQKATOSA-N 0 0 299.461 3.337 20 10 CGCDRN CC(C)n1cncc1/C=C1\c2cccc3c2N(CCC3)C1=O ZINC000901523051 620912869 /nfs/dbraw/zinc/91/28/69/620912869.db2.gz UJNUFKZVSTWKKZ-CXUHLZMHSA-N 0 0 293.370 3.297 20 10 CGCDRN C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903397411 621720945 /nfs/dbraw/zinc/72/09/45/621720945.db2.gz YJHNQKVJUNKWJV-LAEOZQHASA-N 0 0 290.190 3.385 20 10 CGCDRN COc1cc(NCc2cc(C)ccc2O)ccc1F ZINC000083445893 625520614 /nfs/dbraw/zinc/52/06/14/625520614.db2.gz UPMBEDKNWGHUKH-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN Fc1cc(/C=C\c2nccs2)ccc1N1CCOCC1 ZINC000905070962 622035685 /nfs/dbraw/zinc/03/56/85/622035685.db2.gz OQACMHYVQWOJQF-RQOWECAXSA-N 0 0 290.363 3.289 20 10 CGCDRN Oc1ccc(F)cc1CN1CCCNc2ccccc21 ZINC000841089627 622424161 /nfs/dbraw/zinc/42/41/61/622424161.db2.gz PJLIPIKXKBFPHR-UHFFFAOYSA-N 0 0 272.323 3.354 20 10 CGCDRN CC1(C)CCC(CC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910950572 622509828 /nfs/dbraw/zinc/50/98/28/622509828.db2.gz WZJBTZHVGUBCPL-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN Cc1ccc(CCCC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951701 622509931 /nfs/dbraw/zinc/50/99/31/622509931.db2.gz LWXWRAMWGAORHF-UHFFFAOYSA-N 0 0 299.370 3.045 20 10 CGCDRN CCOc1ccc(N(C)CC(=O)Nc2ccccc2)cc1 ZINC000150729203 622656848 /nfs/dbraw/zinc/65/68/48/622656848.db2.gz ZYXAWYDYZWNTIC-UHFFFAOYSA-N 0 0 284.359 3.160 20 10 CGCDRN CCCN(CCC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646721 622880503 /nfs/dbraw/zinc/88/05/03/622880503.db2.gz DYLDAQOUQGKBLM-UHFFFAOYSA-N 0 0 295.402 3.223 20 10 CGCDRN Nc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC000224919264 622891836 /nfs/dbraw/zinc/89/18/36/622891836.db2.gz MMICJQFKBGBIHK-UHFFFAOYSA-N 0 0 279.299 3.176 20 10 CGCDRN O=[N+]([O-])c1cc(F)c(NCc2ccccc2O)c(F)c1 ZINC000227889428 623033823 /nfs/dbraw/zinc/03/38/23/623033823.db2.gz PBHXBQUATBQNOO-UHFFFAOYSA-N 0 0 280.230 3.191 20 10 CGCDRN CC(C)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000171958824 623203073 /nfs/dbraw/zinc/20/30/73/623203073.db2.gz OJPWJMUEGGKFBF-CYBMUJFWSA-N 0 0 262.397 3.003 20 10 CGCDRN Cc1cc(CCNC(=O)C(C)C)c(C)n1-c1ccccc1 ZINC000062576710 623247917 /nfs/dbraw/zinc/24/79/17/623247917.db2.gz RZQLTNSYKXKNDQ-UHFFFAOYSA-N 0 0 284.403 3.409 20 10 CGCDRN C[C@H]1CSCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000172514385 623254049 /nfs/dbraw/zinc/25/40/49/623254049.db2.gz AMIRFSYWSGVLAM-LBPRGKRZSA-N 0 0 273.401 3.483 20 10 CGCDRN CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000230664441 623262420 /nfs/dbraw/zinc/26/24/20/623262420.db2.gz VZXWLUPHWUHEAU-MVWJERBFSA-N 0 0 269.385 3.466 20 10 CGCDRN C[C@H]1CCC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000152841214 623726088 /nfs/dbraw/zinc/72/60/88/623726088.db2.gz FMCRSYHEZZFWRA-JSGCOSHPSA-N 0 0 292.398 3.334 20 10 CGCDRN CCc1onc(C)c1CN(C)c1ccc(OC)c(F)c1 ZINC000929824893 623785318 /nfs/dbraw/zinc/78/53/18/623785318.db2.gz HXPUHNCKEBYDPR-UHFFFAOYSA-N 0 0 278.327 3.330 20 10 CGCDRN CCC[C@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000915887241 624073436 /nfs/dbraw/zinc/07/34/36/624073436.db2.gz SAZFOGOCNCAPCM-AWEZNQCLSA-N 0 0 291.439 3.473 20 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Oc1cc2c(cc1CNc1ccc3ncccc3c1)OCO2 ZINC000238142106 624741824 /nfs/dbraw/zinc/74/18/24/624741824.db2.gz WCOCHUSQNSSZME-UHFFFAOYSA-N 0 0 294.310 3.281 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000180661132 624762528 /nfs/dbraw/zinc/76/25/28/624762528.db2.gz AURNRNYIXHFLCM-YPUOHESYSA-N 0 0 295.338 3.261 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183598505 625095640 /nfs/dbraw/zinc/09/56/40/625095640.db2.gz FMJOFLGTACIHHQ-JTQLQIEISA-N 0 0 288.303 3.049 20 10 CGCDRN CC(F)(F)CCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000922545938 626011518 /nfs/dbraw/zinc/01/15/18/626011518.db2.gz VIESXLJGALEHMY-XQRVVYSFSA-N 0 0 286.274 3.090 20 10 CGCDRN COc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000020092705 634482021 /nfs/dbraw/zinc/48/20/21/634482021.db2.gz STFPZCRLWBDFEO-UHFFFAOYSA-N 0 0 259.305 3.022 20 10 CGCDRN O=C1CCCN1c1cccc(NCc2ccccc2O)c1 ZINC000020146396 634492313 /nfs/dbraw/zinc/49/23/13/634492313.db2.gz TUNDBBNBGXVYCW-UHFFFAOYSA-N 0 0 282.343 3.131 20 10 CGCDRN CCN(CC)c1ccc(CNCC(F)F)cc1F ZINC000839089650 626312790 /nfs/dbraw/zinc/31/27/90/626312790.db2.gz ANWJMYOQCASJNS-UHFFFAOYSA-N 0 0 260.303 3.027 20 10 CGCDRN COC1CCC([NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000839171276 626325273 /nfs/dbraw/zinc/32/52/73/626325273.db2.gz CLFDRDNDYRDFHJ-UHFFFAOYSA-N 0 0 283.799 3.401 20 10 CGCDRN CCOC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000788984322 626357827 /nfs/dbraw/zinc/35/78/27/626357827.db2.gz KOVWYBYLBPXLCK-IINYFYTJSA-N 0 0 287.350 3.382 20 10 CGCDRN CC[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751305893 626384597 /nfs/dbraw/zinc/38/45/97/626384597.db2.gz MPHAEYRGWFXJCS-LBPRGKRZSA-N 0 0 294.358 3.381 20 10 CGCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC000751426355 626389767 /nfs/dbraw/zinc/38/97/67/626389767.db2.gz REANWTDYXXYILS-FZMZJTMJSA-N 0 0 287.384 3.472 20 10 CGCDRN CO[C@@H]1Cc2ccc(NCc3cc(F)ccc3O)cc2C1 ZINC000753574209 626456061 /nfs/dbraw/zinc/45/60/61/626456061.db2.gz ANZPSCIVESAGEW-MRXNPFEDSA-N 0 0 287.334 3.257 20 10 CGCDRN CCC(CC)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000753591774 626457489 /nfs/dbraw/zinc/45/74/89/626457489.db2.gz PVYSSKKPPVRHBQ-UHFFFAOYSA-N 0 0 279.380 3.111 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C1/CC[C@H](C)C1 ZINC000753615195 626458901 /nfs/dbraw/zinc/45/89/01/626458901.db2.gz BBXXPRRURNAYPW-WZMONFQBSA-N 0 0 286.419 3.424 20 10 CGCDRN CCOc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)cc1 ZINC000754290984 626566515 /nfs/dbraw/zinc/56/65/15/626566515.db2.gz ITORPFDYODCGMO-GHXNOFRVSA-N 0 0 296.370 3.465 20 10 CGCDRN C[C@@H]([NH2+]CCCOCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000756357562 626695654 /nfs/dbraw/zinc/69/56/54/626695654.db2.gz DQSMAUMIYJUGCT-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756363300 626697120 /nfs/dbraw/zinc/69/71/20/626697120.db2.gz PZDIBZZSWMCAIG-NSHDSACASA-N 0 0 298.377 3.195 20 10 CGCDRN CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756454840 626706772 /nfs/dbraw/zinc/70/67/72/626706772.db2.gz 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CCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756740537 626729249 /nfs/dbraw/zinc/72/92/49/626729249.db2.gz YZPMOEMSJXHUGV-SNVBAGLBSA-N 0 0 264.325 3.141 20 10 CGCDRN CS[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756770368 626730364 /nfs/dbraw/zinc/73/03/64/626730364.db2.gz UTDCGEIHHUAWIY-HTQZYQBOSA-N 0 0 261.337 3.073 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000756769804 626730604 /nfs/dbraw/zinc/73/06/04/626730604.db2.gz NRUZVUWJIBRUNM-MNOVXSKESA-N 0 0 277.364 3.018 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000756778925 626731410 /nfs/dbraw/zinc/73/14/10/626731410.db2.gz GRAKZABBUSZUKJ-WCQYABFASA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@H](CO)CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756786234 626731804 /nfs/dbraw/zinc/73/18/04/626731804.db2.gz ZHSJFACABKXGNL-LOWVWBTDSA-N 0 0 281.371 3.078 20 10 CGCDRN CC(C)[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874191622 634523909 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CGCDRN Cc1ccc(O)c(CNC(=O)c2ccoc2C(C)C)c1 ZINC000862755645 629429856 /nfs/dbraw/zinc/42/98/56/629429856.db2.gz JICJSSLJXRVJKB-UHFFFAOYSA-N 0 0 273.332 3.347 20 10 CGCDRN C/C=C(/C=C/C(=O)NCc1cc(C)ccc1O)CC ZINC000862758021 629430739 /nfs/dbraw/zinc/43/07/39/629430739.db2.gz MFNRTFNRGHTRHL-CKLXFCMWSA-N 0 0 259.349 3.229 20 10 CGCDRN CCc1ccsc1C(=O)NCc1cc(C)ccc1O ZINC000862759185 629430821 /nfs/dbraw/zinc/43/08/21/629430821.db2.gz YBIQXOQLQSQBDN-UHFFFAOYSA-N 0 0 275.373 3.255 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000862758521 629430934 /nfs/dbraw/zinc/43/09/34/629430934.db2.gz ARIWLMZAWRDGLY-DGCLKSJQSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCO[C@@H](C)CC(C)C)c1 ZINC000862758006 629431152 /nfs/dbraw/zinc/43/11/52/629431152.db2.gz LMRRFURAMSXODX-AWEZNQCLSA-N 0 0 293.407 3.158 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC1 ZINC000125638843 634741750 /nfs/dbraw/zinc/74/17/50/634741750.db2.gz TWYUPQHTAVKETL-UHFFFAOYSA-N 0 0 284.743 3.186 20 10 CGCDRN COc1ccc(CNC(=O)c2c(C)cc(C)cc2C)c(O)c1 ZINC000794373919 629537778 /nfs/dbraw/zinc/53/77/78/629537778.db2.gz OWDFUVAXGGTXKI-UHFFFAOYSA-N 0 0 299.370 3.256 20 10 CGCDRN CCc1nc(C)c(CN(C)c2ccc(OC)cc2OC)o1 ZINC000794435692 629543289 /nfs/dbraw/zinc/54/32/89/629543289.db2.gz VLGVGZUBNXCQLC-UHFFFAOYSA-N 0 0 290.363 3.199 20 10 CGCDRN CCCCN(C(=O)/C=C(/C)c1cnccn1)c1cccnc1 ZINC000875884470 634744646 /nfs/dbraw/zinc/74/46/46/634744646.db2.gz MNQCFGRGGKYPIR-KAMYIIQDSA-N 0 0 296.374 3.108 20 10 CGCDRN CCC[C@H](OCC)c1nc(Cc2ccc(N)cc2)no1 ZINC000863655773 629634917 /nfs/dbraw/zinc/63/49/17/629634917.db2.gz JGEGZBPUEDODPF-ZDUSSCGKSA-N 0 0 275.352 3.120 20 10 CGCDRN COc1ccc(CNc2noc(-c3ccccc3)n2)c(O)c1 ZINC000795285599 629657116 /nfs/dbraw/zinc/65/71/16/629657116.db2.gz SETATDBAIAVROX-UHFFFAOYSA-N 0 0 297.314 3.063 20 10 CGCDRN CCOc1ccc(N(C)CC2CC(OCC)C2)cc1 ZINC000795915868 629725621 /nfs/dbraw/zinc/72/56/21/629725621.db2.gz FSMVIEOFVDZPFI-UHFFFAOYSA-N 0 0 263.381 3.337 20 10 CGCDRN CC(C)(C)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000796235595 629755803 /nfs/dbraw/zinc/75/58/03/629755803.db2.gz KUVGGMRRLOVBPE-SNVBAGLBSA-N 0 0 267.394 3.352 20 10 CGCDRN CCC[C@@](C)(CC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000796334558 629767638 /nfs/dbraw/zinc/76/76/38/629767638.db2.gz YZVPBNMXGLGQEY-MRXNPFEDSA-N 0 0 294.347 3.040 20 10 CGCDRN CCCCN(C)CC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796761207 629828575 /nfs/dbraw/zinc/82/85/75/629828575.db2.gz ORBPUHDGLXHZME-OAHLLOKOSA-N 0 0 282.403 3.304 20 10 CGCDRN CC[C@@H](Nc1ccc(OC)cn1)c1ccc(F)cc1O ZINC000796892731 629854595 /nfs/dbraw/zinc/85/45/95/629854595.db2.gz ZDYLDNROQCMNQO-CYBMUJFWSA-N 0 0 276.311 3.498 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC000864633838 629881531 /nfs/dbraw/zinc/88/15/31/629881531.db2.gz MQILIRUSDCCGCX-YJBOKZPZSA-N 0 0 286.419 3.291 20 10 CGCDRN CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000797932379 630003605 /nfs/dbraw/zinc/00/36/05/630003605.db2.gz ZKTGWDZFBRKCHA-QGZVFWFLSA-N 0 0 298.386 3.185 20 10 CGCDRN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)C1=CC(=O)CS1 ZINC000798122081 630025132 /nfs/dbraw/zinc/02/51/32/630025132.db2.gz MWYFGPJULWGHRQ-NWDGAFQWSA-N 0 0 293.775 3.393 20 10 CGCDRN C[C@@H](NC(=S)NC1CCCCC1)c1ccccc1O ZINC000865269579 630041353 /nfs/dbraw/zinc/04/13/53/630041353.db2.gz RUFWTOVFRWNGCK-LLVKDONJSA-N 0 0 278.421 3.250 20 10 CGCDRN O=C(NCc1ccccc1O)NCC1CCCCCC1 ZINC000836597042 634783765 /nfs/dbraw/zinc/78/37/65/634783765.db2.gz UEWJBLFVWPXXAV-UHFFFAOYSA-N 0 0 276.380 3.162 20 10 CGCDRN CCC(C)(C)N(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000798437277 630057348 /nfs/dbraw/zinc/05/73/48/630057348.db2.gz FIUAXYBGOTXSSV-UHFFFAOYSA-N 0 0 291.439 3.391 20 10 CGCDRN CCN(Cc1occc1C)C(=O)C1=CC(=O)CS1 ZINC000839887578 630224160 /nfs/dbraw/zinc/22/41/60/630224160.db2.gz ROSKTYUJCFSRKO-UHFFFAOYSA-N 0 0 265.334 3.017 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000799739782 630229281 /nfs/dbraw/zinc/22/92/81/630229281.db2.gz FCZQRVHCBBCRMC-STQMWFEESA-N 0 0 269.772 3.093 20 10 CGCDRN COc1cccc(CNc2cccc(-c3nnco3)c2)c1O ZINC000120664445 630240976 /nfs/dbraw/zinc/24/09/76/630240976.db2.gz IPEIEIRMDWIZCE-UHFFFAOYSA-N 0 0 297.314 3.063 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)s1 ZINC000801168485 630326492 /nfs/dbraw/zinc/32/64/92/630326492.db2.gz GMHNMXAQNCTJCK-UHFFFAOYSA-N 0 0 295.791 3.308 20 10 CGCDRN COc1ccc(N(C)CCSC(C)C)c(OC)c1 ZINC000801524789 630341212 /nfs/dbraw/zinc/34/12/12/630341212.db2.gz MLZISDSXBYCZLS-UHFFFAOYSA-N 0 0 269.410 3.282 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1cccc(Cl)c1[O-] ZINC000806152202 630548469 /nfs/dbraw/zinc/54/84/69/630548469.db2.gz VDMZJRRDZRWXCR-SKDRFNHKSA-N 0 0 271.788 3.246 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806169083 630552228 /nfs/dbraw/zinc/55/22/28/630552228.db2.gz HYIVOPXMQBFQGT-TVQRCGJNSA-N 0 0 264.325 3.140 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccc(CCO)nc2)cc1 ZINC000806671451 630573517 /nfs/dbraw/zinc/57/35/17/630573517.db2.gz YHWLCRYBDXHHIU-UHFFFAOYSA-N 0 0 299.418 3.075 20 10 CGCDRN C[C@]1(F)CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000840099394 630592470 /nfs/dbraw/zinc/59/24/70/630592470.db2.gz HJTCAPTYYSOXDP-INIZCTEOSA-N 0 0 263.356 3.205 20 10 CGCDRN CC1(C)CC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808422099 630643236 /nfs/dbraw/zinc/64/32/36/630643236.db2.gz XOMJCWCVURVFSN-NSHDSACASA-N 0 0 257.736 3.463 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCSC1 ZINC000808430535 630644203 /nfs/dbraw/zinc/64/42/03/630644203.db2.gz QSZRWTPVKJKCQR-VIFPVBQESA-N 0 0 289.803 3.418 20 10 CGCDRN FC(F)C1(NCc2ccc3c(c2)CCO3)CCCC1 ZINC000808451407 630646145 /nfs/dbraw/zinc/64/61/45/630646145.db2.gz OAYWOYKKZHXTDL-UHFFFAOYSA-N 0 0 267.319 3.289 20 10 CGCDRN CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000808733222 630673233 /nfs/dbraw/zinc/67/32/33/630673233.db2.gz STDYZDNIGDMFJN-STQMWFEESA-N 0 0 282.403 3.302 20 10 CGCDRN CCN(Cc1cccnc1C)c1ccc(OC)c(OC)c1 ZINC000809956273 630820171 /nfs/dbraw/zinc/82/01/71/630820171.db2.gz CSBZTUWLSDHLMC-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN COCC1(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000842891246 635506040 /nfs/dbraw/zinc/50/60/40/635506040.db2.gz QZXRVNXBDKKVNA-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN Cc1ccccc1NC(=S)NNc1ccccc1F ZINC000812474910 631265176 /nfs/dbraw/zinc/26/51/76/631265176.db2.gz JLNNNYVUDUIYDZ-UHFFFAOYSA-N 0 0 275.352 3.448 20 10 CGCDRN Cc1cc(CCNC(=O)C2=CC(=O)CS2)ccc1Cl ZINC000812585450 631276137 /nfs/dbraw/zinc/27/61/37/631276137.db2.gz HHHSWRSBDZANLV-UHFFFAOYSA-N 0 0 295.791 3.388 20 10 CGCDRN Cc1nn(C)c2cc(NCc3ccccc3O)ccc12 ZINC000812774549 631305800 /nfs/dbraw/zinc/30/58/00/631305800.db2.gz QVRHKQGHYKJNDM-UHFFFAOYSA-N 0 0 267.332 3.199 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000840277014 631339899 /nfs/dbraw/zinc/33/98/99/631339899.db2.gz PVFOVRNBSBZJJU-UKRRQHHQSA-N 0 0 288.391 3.018 20 10 CGCDRN Clc1cnc(Sc2nc3c([nH]2)CCC3)s1 ZINC000813637738 631449272 /nfs/dbraw/zinc/44/92/72/631449272.db2.gz UCNNZFVZNUPJOP-UHFFFAOYSA-N 0 0 257.771 3.160 20 10 CGCDRN CCN(CCC1CCOCC1)c1ccc(OC)cc1 ZINC000814626354 631614251 /nfs/dbraw/zinc/61/42/51/631614251.db2.gz SSYABSUPJYCAKD-UHFFFAOYSA-N 0 0 263.381 3.338 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)C(C)(F)F)cc1 ZINC000815052697 631707436 /nfs/dbraw/zinc/70/74/36/631707436.db2.gz XVSJWWDGNOVZAC-GFCCVEGCSA-N 0 0 298.377 3.440 20 10 CGCDRN CCN(CCC1(OC)CCC1)c1ccc(OC)c(OC)c1 ZINC000815065639 631709900 /nfs/dbraw/zinc/70/99/00/631709900.db2.gz KAPRWLBPDBSILC-UHFFFAOYSA-N 0 0 293.407 3.489 20 10 CGCDRN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815627846 631808928 /nfs/dbraw/zinc/80/89/28/631808928.db2.gz LDNLDKZTKWTVFZ-OPRDCNLKSA-N 0 0 291.313 3.485 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)c1ccc(N(C)C)cc1 ZINC000816180525 631895835 /nfs/dbraw/zinc/89/58/35/631895835.db2.gz RWHCEXLBDGFJEN-GHMZBOCLSA-N 0 0 284.350 3.221 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H]1C ZINC000816519992 632003210 /nfs/dbraw/zinc/00/32/10/632003210.db2.gz CBKIAPARQRZDEF-RKDXNWHRSA-N 0 0 257.736 3.415 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1(C)CC1 ZINC000816541373 632005503 /nfs/dbraw/zinc/00/55/03/632005503.db2.gz KZSSVYFPDDMTCU-MRVPVSSYSA-N 0 0 257.736 3.463 20 10 CGCDRN CCC(CC)[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552028 632009290 /nfs/dbraw/zinc/00/92/90/632009290.db2.gz YVPGTCFAOSBARX-AWEZNQCLSA-N 0 0 289.778 3.071 20 10 CGCDRN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554368 632010333 /nfs/dbraw/zinc/01/03/33/632010333.db2.gz WTZIALRYADSWIQ-MWLCHTKSSA-N 0 0 289.778 3.071 20 10 CGCDRN COc1cccnc1NCc1cc(Cl)c(F)cc1O ZINC000816559481 632012628 /nfs/dbraw/zinc/01/26/28/632012628.db2.gz LKDWHYCWAHZYFB-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN CN(Cc1cc(F)ccc1O)Cc1c(F)cccc1F ZINC000816651972 632038690 /nfs/dbraw/zinc/03/86/90/632038690.db2.gz VKRFGAKWILNGOL-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc(O)c1O ZINC000816789455 632051269 /nfs/dbraw/zinc/05/12/69/632051269.db2.gz OXNZYXYQASUICQ-SNVBAGLBSA-N 0 0 299.317 3.043 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CC34CC4)cc2)CC1 ZINC000817531006 632180977 /nfs/dbraw/zinc/18/09/77/632180977.db2.gz BJUUPSXDNISPAP-KRWDZBQOSA-N 0 0 298.430 3.339 20 10 CGCDRN CC[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(F)cc1[O-] ZINC000817585742 632191416 /nfs/dbraw/zinc/19/14/16/632191416.db2.gz HNLXZTGTGFZRTC-CQSZACIVSA-N 0 0 281.371 3.267 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942152 632240387 /nfs/dbraw/zinc/24/03/87/632240387.db2.gz XMEFISKATSTVIL-BDAKNGLRSA-N 0 0 289.206 3.102 20 10 CGCDRN C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000817954807 632249839 /nfs/dbraw/zinc/24/98/39/632249839.db2.gz KGWYGMYITXWCEQ-BONVTDFDSA-N 0 0 292.329 3.021 20 10 CGCDRN CCC[NH2+]CCN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817962022 632257583 /nfs/dbraw/zinc/25/75/83/632257583.db2.gz GOMSFJBMGLBAIR-VIFPVBQESA-N 0 0 291.222 3.349 20 10 CGCDRN CC[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000818544761 632332082 /nfs/dbraw/zinc/33/20/82/632332082.db2.gz MSNDGKJIKHTXAR-KRWDZBQOSA-N 0 0 296.414 3.196 20 10 CGCDRN Cc1ccc(C2CC2)c(C(=O)NCCc2ccc(N)cc2)c1 ZINC000818545049 632332175 /nfs/dbraw/zinc/33/21/75/632332175.db2.gz COHXBCXRHTZPBT-UHFFFAOYSA-N 0 0 294.398 3.427 20 10 CGCDRN O[C@H](CNc1ccccc1OCC1CC1)Cc1ccccc1 ZINC000819452827 632462188 /nfs/dbraw/zinc/46/21/88/632462188.db2.gz VFQPSQAKFJXINS-KRWDZBQOSA-N 0 0 297.398 3.491 20 10 CGCDRN COc1ccc(N2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000819937089 632541555 /nfs/dbraw/zinc/54/15/55/632541555.db2.gz ZHZHFKXYZCRUBE-CQSZACIVSA-N 0 0 283.375 3.029 20 10 CGCDRN CC(C)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCC1 ZINC000820203957 632588996 /nfs/dbraw/zinc/58/89/96/632588996.db2.gz VVEASKJYSHVROP-UHFFFAOYSA-N 0 0 288.351 3.252 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CC2(CC2)C1 ZINC000821843924 632833307 /nfs/dbraw/zinc/83/33/07/632833307.db2.gz WQMAQEWJWSVDFL-UHFFFAOYSA-N 0 0 284.403 3.093 20 10 CGCDRN CCCN(Cc1nc(C(F)F)no1)Cc1ccccc1O ZINC000822653917 632998754 /nfs/dbraw/zinc/99/87/54/632998754.db2.gz GASLULMLUVIYOO-UHFFFAOYSA-N 0 0 297.305 3.125 20 10 CGCDRN CCc1cc(C)nc(N[C@@H](C)c2ccccc2O)n1 ZINC000866236406 633038072 /nfs/dbraw/zinc/03/80/72/633038072.db2.gz ASBGHSNVFQOYAA-NSHDSACASA-N 0 0 257.337 3.226 20 10 CGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC(C)(C)C1 ZINC000823533806 633118126 /nfs/dbraw/zinc/11/81/26/633118126.db2.gz ODNHCWOSYQUKEJ-UHFFFAOYSA-N 0 0 288.351 3.110 20 10 CGCDRN C[C@H](NCc1nn(C)cc1C(F)F)c1cc(F)ccc1O ZINC000866565828 633196524 /nfs/dbraw/zinc/19/65/24/633196524.db2.gz RWOLSHWNFLRUBI-QMMMGPOBSA-N 0 0 299.296 3.053 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC2(CC2)C1 ZINC000824234052 633214390 /nfs/dbraw/zinc/21/43/90/633214390.db2.gz CAZMOGVHAZUXNJ-UHFFFAOYSA-N 0 0 286.419 3.291 20 10 CGCDRN CC[C@H](C[C@H](C)O)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000866633772 633222541 /nfs/dbraw/zinc/22/25/41/633222541.db2.gz LSXMDGQQZXFRKK-ZKYQVNSYSA-N 0 0 269.360 3.122 20 10 CGCDRN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000866634676 633223250 /nfs/dbraw/zinc/22/32/50/633223250.db2.gz SQVLIAIMCPVRQW-HOSYDEDBSA-N 0 0 271.788 3.246 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000866636726 633225519 /nfs/dbraw/zinc/22/55/19/633225519.db2.gz BEXLUZBQPDSWDG-BMIGLBTASA-N 0 0 299.361 3.262 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1 ZINC000866764504 633239845 /nfs/dbraw/zinc/23/98/45/633239845.db2.gz NMKLNLPKFGYNIZ-ZLKJLUDKSA-N 0 0 291.391 3.260 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C(F)F)CCC2)c1 ZINC000866763225 633240386 /nfs/dbraw/zinc/24/03/86/633240386.db2.gz CJNXFHQWSGJOJG-SECBINFHSA-N 0 0 299.317 3.013 20 10 CGCDRN C[C@@H](NC(=O)C1(C(F)F)CCC1)c1ccc(N(C)C)cc1 ZINC000867504170 633249250 /nfs/dbraw/zinc/24/92/50/633249250.db2.gz SKXOAOMJKIYVHN-LLVKDONJSA-N 0 0 296.361 3.365 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCC1CCOCC1 ZINC000824477325 633249520 /nfs/dbraw/zinc/24/95/20/633249520.db2.gz QDDVAHPUEHVCJY-UHFFFAOYSA-N 0 0 283.799 3.342 20 10 CGCDRN CCN(CC)c1ccc(CNC(CF)CF)cc1F ZINC000824554160 633259005 /nfs/dbraw/zinc/25/90/05/633259005.db2.gz BRNVNAFNYHNZNK-UHFFFAOYSA-N 0 0 274.330 3.069 20 10 CGCDRN Cc1cccc(CN2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000824620466 633264982 /nfs/dbraw/zinc/26/49/82/633264982.db2.gz QDEHXDIYHYPFGQ-OAHLLOKOSA-N 0 0 285.391 3.017 20 10 CGCDRN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000824636976 633266070 /nfs/dbraw/zinc/26/60/70/633266070.db2.gz VUTIRVJUMARUGD-WBVHZDCISA-N 0 0 285.387 3.138 20 10 CGCDRN CS[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824683768 633273531 /nfs/dbraw/zinc/27/35/31/633273531.db2.gz UYQJILIPSJYXEE-JTQLQIEISA-N 0 0 275.776 3.122 20 10 CGCDRN COCC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824715203 633278832 /nfs/dbraw/zinc/27/88/32/633278832.db2.gz XVDXVSPMCQFJRJ-UHFFFAOYSA-N 0 0 283.799 3.212 20 10 CGCDRN Cc1cc(O)c(CN2CCOCC23CCC3)cc1Cl ZINC000824828458 633297567 /nfs/dbraw/zinc/29/75/67/633297567.db2.gz BRUJVLCOAVQWMT-UHFFFAOYSA-N 0 0 281.783 3.109 20 10 CGCDRN CCC[C@](C)(NCc1cc(Cl)c(C)cc1O)C(=O)OC ZINC000825037428 633319852 /nfs/dbraw/zinc/31/98/52/633319852.db2.gz BROPMNYZJAJFOH-HNNXBMFYSA-N 0 0 299.798 3.175 20 10 CGCDRN CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000825098249 633327908 /nfs/dbraw/zinc/32/79/08/633327908.db2.gz DZZLFQAWEFWHJK-CLAHSXSESA-N 0 0 287.762 3.088 20 10 CGCDRN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000825321220 633345035 /nfs/dbraw/zinc/34/50/35/633345035.db2.gz AJGGZGKFRVEJMZ-GFCCVEGCSA-N 0 0 283.799 3.294 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1F)c1ccccc1O ZINC000868707519 633353852 /nfs/dbraw/zinc/35/38/52/633353852.db2.gz GXTOVABSLIHOAJ-RAIGVLPGSA-N 0 0 280.343 3.033 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000868773413 633361942 /nfs/dbraw/zinc/36/19/42/633361942.db2.gz IZUOCJVLONMKOP-XFMPKHEZSA-N 0 0 288.391 3.189 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)[C@]12C[C@H]1CCCC2 ZINC000868938256 633380295 /nfs/dbraw/zinc/38/02/95/633380295.db2.gz SRTJKDUAXKQOLT-RDTXWAMCSA-N 0 0 296.370 3.137 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCc1cc(OC)ccc1O ZINC000825838686 633383197 /nfs/dbraw/zinc/38/31/97/633383197.db2.gz FIYKGPFARNOAKP-CYBMUJFWSA-N 0 0 293.407 3.479 20 10 CGCDRN CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825944121 633390816 /nfs/dbraw/zinc/39/08/16/633390816.db2.gz QTHOBQZZPAWNOE-INIZCTEOSA-N 0 0 297.826 3.339 20 10 CGCDRN CCc1nnc(CNCc2cc(Cl)c(C)cc2O)s1 ZINC000825955987 633392182 /nfs/dbraw/zinc/39/21/82/633392182.db2.gz VUJIMOZZXUKKKJ-UHFFFAOYSA-N 0 0 297.811 3.058 20 10 CGCDRN CCC[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844848160 635974410 /nfs/dbraw/zinc/97/44/10/635974410.db2.gz JXCAZCZMYWFHME-SECBINFHSA-N 0 0 270.760 3.033 20 10 CGCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])O1 ZINC000827252166 633476249 /nfs/dbraw/zinc/47/62/49/633476249.db2.gz XVYILXVHFCHWLC-CABZTGNLSA-N 0 0 287.762 3.232 20 10 CGCDRN COc1ccc2c(c1)CC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC000827295998 633479995 /nfs/dbraw/zinc/47/99/95/633479995.db2.gz AILIGLQXNXGSKS-UHFFFAOYSA-N 0 0 287.334 3.098 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506243 633495499 /nfs/dbraw/zinc/49/54/99/633495499.db2.gz FKGIWYLDKGIQRW-IUCAKERBSA-N 0 0 255.720 3.027 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1SCCS1 ZINC000827614525 633504583 /nfs/dbraw/zinc/50/45/83/633504583.db2.gz UQDGKDDQJFNSFG-UHFFFAOYSA-N 0 0 293.816 3.080 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000827936742 633536833 /nfs/dbraw/zinc/53/68/33/633536833.db2.gz CAIBAFYORYQRLH-XQQFMLRXSA-N 0 0 261.365 3.396 20 10 CGCDRN CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)c1ccccc1O ZINC000827941739 633538046 /nfs/dbraw/zinc/53/80/46/633538046.db2.gz XNNAZPYBZCSSGH-CHWSQXEVSA-N 0 0 291.391 3.355 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000827946402 633538160 /nfs/dbraw/zinc/53/81/60/633538160.db2.gz GWAKYDJSOVKBNQ-MNOVXSKESA-N 0 0 283.318 3.395 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827952012 633538724 /nfs/dbraw/zinc/53/87/24/633538724.db2.gz CUGKLSRIRAFXHC-YRGRVCCFSA-N 0 0 261.365 3.252 20 10 CGCDRN C[C@@H](NC(=O)C1=CC[C@@H](C)CC1)c1ccccc1O ZINC000827952172 633538879 /nfs/dbraw/zinc/53/88/79/633538879.db2.gz IRFYOOYMOPDMQD-VXGBXAGGSA-N 0 0 259.349 3.316 20 10 CGCDRN COCc1csc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827956350 633539589 /nfs/dbraw/zinc/53/95/89/633539589.db2.gz KQNHKPUZYRNHGB-SNVBAGLBSA-N 0 0 291.372 3.091 20 10 CGCDRN C[C@H](NC(=O)C1(C(F)F)CCCC1)c1ccccc1O ZINC000827963849 633541176 /nfs/dbraw/zinc/54/11/76/633541176.db2.gz CIGWNMQWURBALQ-JTQLQIEISA-N 0 0 283.318 3.395 20 10 CGCDRN CO[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000827960596 633541299 /nfs/dbraw/zinc/54/12/99/633541299.db2.gz RSDFFBOQOUXBIN-BLLLJJGKSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000827960747 633541467 /nfs/dbraw/zinc/54/14/67/633541467.db2.gz WPBKZEYSLGRUFT-QITLCBANSA-N 0 0 299.345 3.454 20 10 CGCDRN Cc1csc([C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827964269 633542097 /nfs/dbraw/zinc/54/20/97/633542097.db2.gz JWXDWFZWJYWDHB-QWRGUYRKSA-N 0 0 290.388 3.138 20 10 CGCDRN CCS[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000827978257 633543647 /nfs/dbraw/zinc/54/36/47/633543647.db2.gz MRTFRXZEZPEKEK-SMDDNHRTSA-N 0 0 281.421 3.347 20 10 CGCDRN CCCCSCC(=O)N[C@@H](C)c1ccccc1O ZINC000827982483 633544431 /nfs/dbraw/zinc/54/44/31/633544431.db2.gz VMDOQAZDNQPHQY-NSHDSACASA-N 0 0 267.394 3.103 20 10 CGCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000828609249 633633625 /nfs/dbraw/zinc/63/36/25/633633625.db2.gz LOFUJXBRFIKCMS-GDBMZVCRSA-N 0 0 274.408 3.286 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204755 633724564 /nfs/dbraw/zinc/72/45/64/633724564.db2.gz JTRVUTACFVEAIQ-AAEUAGOBSA-N 0 0 259.349 3.061 20 10 CGCDRN O=C(c1ccoc1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871204990 633725273 /nfs/dbraw/zinc/72/52/73/633725273.db2.gz NQTYIFYIDGGNIW-UHFFFAOYSA-N 0 0 269.300 3.019 20 10 CGCDRN Cc1ccccc1C1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000829495152 633742574 /nfs/dbraw/zinc/74/25/74/633742574.db2.gz FVGRMDBEWVZBQN-UHFFFAOYSA-N 0 0 298.342 3.388 20 10 CGCDRN CCCOc1ccc(C=C2SC(=S)NC2=O)cc1C ZINC000871598209 633800439 /nfs/dbraw/zinc/80/04/39/633800439.db2.gz IVBWMEFLBNLEJN-WQLSENKSSA-N 0 0 293.413 3.273 20 10 CGCDRN O=C(CCCF)N(Cc1ccco1)Cc1ccccc1O ZINC000830138076 633831653 /nfs/dbraw/zinc/83/16/53/633831653.db2.gz ZXXOFUHKTBDRQI-UHFFFAOYSA-N 0 0 291.322 3.264 20 10 CGCDRN CSC(C)(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830559644 633871011 /nfs/dbraw/zinc/87/10/11/633871011.db2.gz QZEPUXXLSVASIR-UHFFFAOYSA-N 0 0 293.432 3.029 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@@H](CCC)C(=O)[O-])cc1C ZINC000871873147 633904867 /nfs/dbraw/zinc/90/48/67/633904867.db2.gz RYQDGNOQZCSHJF-AWEZNQCLSA-N 0 0 279.380 3.127 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H]2CC=C(C(=O)[O-])C2)cc1C ZINC000871874459 633906174 /nfs/dbraw/zinc/90/61/74/633906174.db2.gz OZDCSLZDLBMITF-HNNXBMFYSA-N 0 0 289.375 3.047 20 10 CGCDRN CSc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000019395372 634085944 /nfs/dbraw/zinc/08/59/44/634085944.db2.gz QXIGHQLNRRCAND-UHFFFAOYSA-N 0 0 272.373 3.172 20 10 CGCDRN CC(C)(C)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O ZINC000832823322 634101407 /nfs/dbraw/zinc/10/14/07/634101407.db2.gz QDIIGJGBSCILBB-UHFFFAOYSA-N 0 0 283.343 3.039 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1CCCCc2cccnc21 ZINC000872292431 634103924 /nfs/dbraw/zinc/10/39/24/634103924.db2.gz VVKWXLFJUOIJTG-FPLPWBNLSA-N 0 0 293.370 3.168 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(CC2)C1 ZINC000833327184 634117346 /nfs/dbraw/zinc/11/73/46/634117346.db2.gz TWCUWRQUVOOYBK-UHFFFAOYSA-N 0 0 286.400 3.392 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1[O-])[C@@H](C)O ZINC000834889247 634269155 /nfs/dbraw/zinc/26/91/55/634269155.db2.gz VRKFAIVWZZMVBJ-WQAKAFBOSA-N 0 0 271.788 3.246 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2CCCCCC2)cc1 ZINC000101809934 634272342 /nfs/dbraw/zinc/27/23/42/634272342.db2.gz GNAOCBCODIREBM-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N1CCCc2ccc(C)nc21 ZINC000876488534 634845434 /nfs/dbraw/zinc/84/54/34/634845434.db2.gz DIOWEAYBZRYMIE-FPLPWBNLSA-N 0 0 299.399 3.148 20 10 CGCDRN CCON(CC1CCCCC1)C(=O)c1cccc(O)c1O ZINC000837200821 634870248 /nfs/dbraw/zinc/87/02/48/634870248.db2.gz SYGOZWJMYRWTDS-UHFFFAOYSA-N 0 0 293.363 3.072 20 10 CGCDRN CC(C)c1ccccc1OCC(=O)NCc1ccc(N)cc1 ZINC000837302834 634881647 /nfs/dbraw/zinc/88/16/47/634881647.db2.gz JDFMOCWACVUPLS-UHFFFAOYSA-N 0 0 298.386 3.087 20 10 CGCDRN C[C@H]1CCC[C@@H](CC(=O)NCc2ccc(N)cc2)C1 ZINC000837302724 634882001 /nfs/dbraw/zinc/88/20/01/634882001.db2.gz DFHCFAZKSRTLTO-GXTWGEPZSA-N 0 0 260.381 3.101 20 10 CGCDRN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000837376652 634899097 /nfs/dbraw/zinc/89/90/97/634899097.db2.gz FJLPSOHKAGVPJK-ZDUSSCGKSA-N 0 0 286.419 3.121 20 10 CGCDRN COCc1cccc(NCc2c(C)cccc2O)c1 ZINC000876822629 634907781 /nfs/dbraw/zinc/90/77/81/634907781.db2.gz DKPHYNSZTCGZGD-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCc3c2cccc3O)ccc(F)c1F ZINC000877023906 634953447 /nfs/dbraw/zinc/95/34/47/634953447.db2.gz JRMFIJWSFDMGFU-CYBMUJFWSA-N 0 0 291.297 3.153 20 10 CGCDRN CCC(CC)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000126308524 634957075 /nfs/dbraw/zinc/95/70/75/634957075.db2.gz VVZZKXFVWRPDPX-UHFFFAOYSA-N 0 0 280.387 3.334 20 10 CGCDRN CO[C@H](C)c1nc(CNCc2ccc(C)cc2O)cs1 ZINC000877074440 634972998 /nfs/dbraw/zinc/97/29/98/634972998.db2.gz KLMGXZQCWWFZNT-LLVKDONJSA-N 0 0 292.404 3.154 20 10 CGCDRN [O-]c1c(C[NH2+]CC2(CCO)CCCCC2)ccc(F)c1F ZINC000877076338 634973391 /nfs/dbraw/zinc/97/33/91/634973391.db2.gz LDUQDLLCHVNJTM-UHFFFAOYSA-N 0 0 299.361 3.093 20 10 CGCDRN CN(C(=O)[C@H](c1ccccc1)C1CC1)c1ccc(N)cc1 ZINC000877075864 634973473 /nfs/dbraw/zinc/97/34/73/634973473.db2.gz KGSIMQBNSSVWJI-QGZVFWFLSA-N 0 0 280.371 3.425 20 10 CGCDRN CCCOc1cccc(CC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877076677 634974542 /nfs/dbraw/zinc/97/45/42/634974542.db2.gz SVZBIQLCVZRKCS-UHFFFAOYSA-N 0 0 298.386 3.263 20 10 CGCDRN CN(C(=O)C1(c2ccc(F)cc2)CCC1)c1ccc(N)cc1 ZINC000877080711 634976884 /nfs/dbraw/zinc/97/68/84/634976884.db2.gz NJIZZJPYCCAQCG-UHFFFAOYSA-N 0 0 298.361 3.493 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1nc2ccccc2s1 ZINC000126442164 635019965 /nfs/dbraw/zinc/01/99/65/635019965.db2.gz NGGVQQGCLDUUAJ-UHFFFAOYSA-N 0 0 298.367 3.274 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc(F)c1F ZINC000877425519 635038362 /nfs/dbraw/zinc/03/83/62/635038362.db2.gz CLWWPCSLFWYVPV-CYBMUJFWSA-N 0 0 297.345 3.061 20 10 CGCDRN Cc1cccc(O)c1C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000877519170 635068012 /nfs/dbraw/zinc/06/80/12/635068012.db2.gz XGGURLGFMNBOCQ-LSDHHAIUSA-N 0 0 277.408 3.216 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)OCO2 ZINC000840929217 635083677 /nfs/dbraw/zinc/08/36/77/635083677.db2.gz JQHPCYDPCUKITG-UHFFFAOYSA-N 0 0 284.359 3.402 20 10 CGCDRN COc1cc(N(C)Cc2ccoc2C)cc(OC)c1OC ZINC000840937186 635086227 /nfs/dbraw/zinc/08/62/27/635086227.db2.gz PKMXMZRPJFQERH-UHFFFAOYSA-N 0 0 291.347 3.250 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@]3(CCSC3)C2)ccc(F)c1F ZINC000877575028 635099447 /nfs/dbraw/zinc/09/94/47/635099447.db2.gz DCDFJLDZVBEDRK-HNNXBMFYSA-N 0 0 299.386 3.390 20 10 CGCDRN CCO/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841032500 635110308 /nfs/dbraw/zinc/11/03/08/635110308.db2.gz FQVVOYYGDPIGRJ-VAWYXSNFSA-N 0 0 290.407 3.040 20 10 CGCDRN [O-]c1c(C[NH+]2CC(c3ccccc3)C2)ccc(F)c1F ZINC000877666156 635139010 /nfs/dbraw/zinc/13/90/10/635139010.db2.gz YFWFRYRHWMZJHR-UHFFFAOYSA-N 0 0 275.298 3.270 20 10 CGCDRN CCc1nc([C@H](C)NC(=O)Nc2ccc(N)cc2)cs1 ZINC000841301022 635150669 /nfs/dbraw/zinc/15/06/69/635150669.db2.gz ZPGAGADXGRGCIZ-VIFPVBQESA-N 0 0 290.392 3.170 20 10 CGCDRN COCc1cc(NCc2ccc(C)cc2O)ccc1OC ZINC000877702089 635152997 /nfs/dbraw/zinc/15/29/97/635152997.db2.gz JKSKNSMBNQZANS-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN COc1ccc(F)cc1CN1Cc2cccc(O)c2C1 ZINC000877703184 635155008 /nfs/dbraw/zinc/15/50/08/635155008.db2.gz VAGJCXJGMWJZHW-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841748649 635223838 /nfs/dbraw/zinc/22/38/38/635223838.db2.gz XYIAAYIIDSGEBO-GHMZBOCLSA-N 0 0 291.782 3.117 20 10 CGCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751181 635225210 /nfs/dbraw/zinc/22/52/10/635225210.db2.gz MEUPTKPFIRUBLD-MNOVXSKESA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(Cl)cc1[O-] ZINC000841749030 635225426 /nfs/dbraw/zinc/22/54/26/635225426.db2.gz BFIDZRJNSALYPO-GVXVVHGQSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841754883 635228699 /nfs/dbraw/zinc/22/86/99/635228699.db2.gz NHFYAXAGDPEZHM-COPLHBTASA-N 0 0 283.799 3.247 20 10 CGCDRN COc1ccc(C[NH2+][C@H](CC(=O)[O-])CC(C)(C)C)cc1C ZINC000841800270 635237251 /nfs/dbraw/zinc/23/72/51/635237251.db2.gz AZAAFZYIPDRJEW-CQSZACIVSA-N 0 0 293.407 3.373 20 10 CGCDRN CCCCCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000127692326 635768719 /nfs/dbraw/zinc/76/87/19/635768719.db2.gz ILMTUDFWNQIRCF-UHFFFAOYSA-N 0 0 262.397 3.339 20 10 CGCDRN CC1(C)Cc2cc(C(=O)NCc3ccccc3O)ccc2O1 ZINC000843833603 635787056 /nfs/dbraw/zinc/78/70/56/635787056.db2.gz WPVPLSWBKFSYBM-UHFFFAOYSA-N 0 0 297.354 3.036 20 10 CGCDRN C[C@@H](NCc1nc2c(o1)CCCC2)c1ccccc1O ZINC000879649708 635826299 /nfs/dbraw/zinc/82/62/99/635826299.db2.gz CUTJEMIXAQHBBM-LLVKDONJSA-N 0 0 272.348 3.110 20 10 CGCDRN COC(=O)[C@@H](N[C@H](C)c1ccccc1O)c1ccsc1 ZINC000879649488 635826693 /nfs/dbraw/zinc/82/66/93/635826693.db2.gz UPQNTYPLMTYZHY-YGRLFVJLSA-N 0 0 291.372 3.019 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC000844304410 635864998 /nfs/dbraw/zinc/86/49/98/635864998.db2.gz CZPMPXNDAXWYFE-SJORKVTESA-N 0 0 286.419 3.195 20 10 CGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(OC)cc1O ZINC000879846844 635870986 /nfs/dbraw/zinc/87/09/86/635870986.db2.gz PAMUZQRTKPQNKW-DYVFJYSZSA-N 0 0 291.391 3.233 20 10 CGCDRN CCc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)nc1 ZINC000881198444 636084864 /nfs/dbraw/zinc/08/48/64/636084864.db2.gz OIUDSLJZXKAJJW-NSHDSACASA-N 0 0 285.347 3.232 20 10 CGCDRN CCc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000845928223 636120034 /nfs/dbraw/zinc/12/00/34/636120034.db2.gz ARIQDCGAFACCBE-UHFFFAOYSA-N 0 0 286.331 3.153 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC3(CCC3)C2)c1 ZINC000846215157 636160457 /nfs/dbraw/zinc/16/04/57/636160457.db2.gz YVFZOXPJMQOQFS-NSHDSACASA-N 0 0 289.375 3.162 20 10 CGCDRN Nc1ccc(CNC(=O)/C=C/C2CCCCCC2)cc1 ZINC000846298804 636172762 /nfs/dbraw/zinc/17/27/62/636172762.db2.gz QUQMIENKLWVPLX-FMIVXFBMSA-N 0 0 272.392 3.412 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000846372329 636179347 /nfs/dbraw/zinc/17/93/47/636179347.db2.gz IINSHUZNDYJRKS-XEBOPQQMSA-N 0 0 289.375 3.052 20 10 CGCDRN CC(C)CCCC(=O)NCc1cc(Cl)ccc1O ZINC000846475240 636187969 /nfs/dbraw/zinc/18/79/69/636187969.db2.gz AOXCUAZWPDRFIW-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC000846474031 636188028 /nfs/dbraw/zinc/18/80/28/636188028.db2.gz QOMHWGKNCGYYSM-WDEREUQCSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC12CCCC2 ZINC000846475367 636188224 /nfs/dbraw/zinc/18/82/24/636188224.db2.gz GQRJGPOWWUGYQT-LBPRGKRZSA-N 0 0 279.767 3.242 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc[nH]c1C1CC1 ZINC000846476010 636188774 /nfs/dbraw/zinc/18/87/74/636188774.db2.gz HXCSXTCUNXNDIY-UHFFFAOYSA-N 0 0 290.750 3.181 20 10 CGCDRN CCC(CC)n1nccc1C(=O)Nc1ccc(N)cc1 ZINC000846662625 636215377 /nfs/dbraw/zinc/21/53/77/636215377.db2.gz VMVISUHAVRBPAK-UHFFFAOYSA-N 0 0 272.352 3.079 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]1C1CCC1 ZINC000846719571 636221211 /nfs/dbraw/zinc/22/12/11/636221211.db2.gz ZSAZVAFMICPLFJ-QWHCGFSZSA-N 0 0 294.782 3.033 20 10 CGCDRN CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(C)(C)O1 ZINC000883084469 636535520 /nfs/dbraw/zinc/53/55/20/636535520.db2.gz SAQGRJDQGKFDKU-LBPRGKRZSA-N 0 0 285.334 3.106 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1(Cl)Cl ZINC000883134878 636552153 /nfs/dbraw/zinc/55/21/53/636552153.db2.gz MLGLNKHHJSMWDF-NSHDSACASA-N 0 0 296.144 3.344 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])C1(O)CCCC1 ZINC000883139542 636552373 /nfs/dbraw/zinc/55/23/73/636552373.db2.gz PZQDAFJTKJIWKJ-UHFFFAOYSA-N 0 0 299.361 3.091 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2CC2CCCC2)cc1 ZINC000848443722 636578441 /nfs/dbraw/zinc/57/84/41/636578441.db2.gz ZJMBUPPWOMMBIE-QGZVFWFLSA-N 0 0 286.419 3.383 20 10 CGCDRN CC[C@@H]([NH2+]CCc1ccns1)c1ccc(F)cc1[O-] ZINC000883247546 636617113 /nfs/dbraw/zinc/61/71/13/636617113.db2.gz OJLUTFDULKPKAX-CYBMUJFWSA-N 0 0 280.368 3.271 20 10 CGCDRN CCc1cccc(CN2C[C@H](CO)c3ccccc32)c1O ZINC000848914701 636689132 /nfs/dbraw/zinc/68/91/32/636689132.db2.gz RHNZHVULAGUGAS-OAHLLOKOSA-N 0 0 283.371 3.051 20 10 CGCDRN COc1ccc(O)c(CN2Cc3cc(F)c(F)cc3C2)c1 ZINC000848926026 636698568 /nfs/dbraw/zinc/69/85/68/636698568.db2.gz PSKQFVMWOALLJT-UHFFFAOYSA-N 0 0 291.297 3.195 20 10 CGCDRN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(F)cc1[O-] ZINC000883381162 636723132 /nfs/dbraw/zinc/72/31/32/636723132.db2.gz HUFWDBAMSFYDSC-LLVKDONJSA-N 0 0 279.355 3.141 20 10 CGCDRN COC[C@H](CSc1ncc(C(C)(C)C)s1)OC ZINC000849887356 636899719 /nfs/dbraw/zinc/89/97/19/636899719.db2.gz JYEPQUHVUVQDJC-SECBINFHSA-N 0 0 275.439 3.194 20 10 CGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCCc1ccc(N)cc1 ZINC000884028654 636917581 /nfs/dbraw/zinc/91/75/81/636917581.db2.gz NMGQNLIWCUNOSY-PBHICJAKSA-N 0 0 274.408 3.144 20 10 CGCDRN Cc1noc([C@H](C)Sc2ncc(Cl)s2)n1 ZINC000849999102 636924216 /nfs/dbraw/zinc/92/42/16/636924216.db2.gz NPFRVDDBXFXSAS-BYPYZUCNSA-N 0 0 261.759 3.341 20 10 CGCDRN CC1(C)OC[C@@H](CCSc2ncc(Cl)s2)O1 ZINC000850001462 636925110 /nfs/dbraw/zinc/92/51/10/636925110.db2.gz HKNJJBWXNWZYIC-SSDOTTSWSA-N 0 0 279.814 3.430 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C=CCC2)c1 ZINC000850359009 637027356 /nfs/dbraw/zinc/02/73/56/637027356.db2.gz RVVUGXOPPGRJEG-LLVKDONJSA-N 0 0 282.181 3.271 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000850481993 637085624 /nfs/dbraw/zinc/08/56/24/637085624.db2.gz PMYYIRLYUBUHLF-JQWIXIFHSA-N 0 0 298.377 3.194 20 10 CGCDRN CC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850528653 637106705 /nfs/dbraw/zinc/10/67/05/637106705.db2.gz JKRHUZUDONBZSI-JGVFFNPUSA-N 0 0 278.179 3.121 20 10 CGCDRN Cc1cc(F)ccc1C(=O)N(C)Cc1ccccc1O ZINC000135351678 637119924 /nfs/dbraw/zinc/11/99/24/637119924.db2.gz NGOXOPGPCVEZGN-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN C[C@H]1Cc2ccccc2N(C(=O)Cc2ccc(N)cc2)C1 ZINC000109670105 637207081 /nfs/dbraw/zinc/20/70/81/637207081.db2.gz BMRYXXLOBOPJNP-ZDUSSCGKSA-N 0 0 280.371 3.037 20 10 CGCDRN FC(F)OCCN1CCCc2cc(OC(F)F)ccc21 ZINC000851824846 637514958 /nfs/dbraw/zinc/51/49/58/637514958.db2.gz NPCQBGXOAAFJPB-UHFFFAOYSA-N 0 0 293.260 3.280 20 10 CGCDRN O=C1CCC[C@H](c2cccc(NCc3ccccc3O)c2)N1 ZINC000886374846 637520033 /nfs/dbraw/zinc/52/00/33/637520033.db2.gz OHZQSUYEIJSQAS-MRXNPFEDSA-N 0 0 296.370 3.346 20 10 CGCDRN COC(=O)COc1ccc(N(C)CCC=C(C)C)cc1 ZINC000851925042 637546665 /nfs/dbraw/zinc/54/66/65/637546665.db2.gz TZMCKZCMQLHHJM-UHFFFAOYSA-N 0 0 277.364 3.031 20 10 CGCDRN Cc1noc(C)c1CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886524605 637552959 /nfs/dbraw/zinc/55/29/59/637552959.db2.gz NJKHMUBIGOBLSS-SNVBAGLBSA-N 0 0 278.327 3.029 20 10 CGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886528327 637555224 /nfs/dbraw/zinc/55/52/24/637555224.db2.gz KHUHJFPZHSUKOE-PXAZEXFGSA-N 0 0 289.350 3.090 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1c([O-])cccc1F ZINC000886540874 637565750 /nfs/dbraw/zinc/56/57/50/637565750.db2.gz LZWMWTXRXSOZPT-MDHDOXDCSA-N 0 0 279.355 3.140 20 10 CGCDRN CC(C)c1nccc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000110382038 637584723 /nfs/dbraw/zinc/58/47/23/637584723.db2.gz DBPZHYUGFGIMGV-UHFFFAOYSA-N 0 0 288.370 3.417 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1nccs1 ZINC000886590380 637596816 /nfs/dbraw/zinc/59/68/16/637596816.db2.gz UIBUXPKHMLCREN-UWVGGRQHSA-N 0 0 280.368 3.442 20 10 CGCDRN C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1c([O-])cccc1F ZINC000886602981 637600074 /nfs/dbraw/zinc/60/00/74/637600074.db2.gz DQKYRTQMPOIJLN-LBPRGKRZSA-N 0 0 293.382 3.125 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C12CCC2 ZINC000886624801 637614177 /nfs/dbraw/zinc/61/41/77/637614177.db2.gz AEHRWDWKRFCQHG-ZLKJLUDKSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccn1 ZINC000886634383 637621133 /nfs/dbraw/zinc/62/11/33/637621133.db2.gz CORVPURZGKRLCH-RYUDHWBXSA-N 0 0 274.339 3.381 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1c([O-])cccc1F ZINC000886639578 637624430 /nfs/dbraw/zinc/62/44/30/637624430.db2.gz GLIMDKYBZNYQQA-RKDXNWHRSA-N 0 0 259.271 3.227 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCSC1)c1c([O-])cccc1F ZINC000886645108 637626406 /nfs/dbraw/zinc/62/64/06/637626406.db2.gz RJBGDYLZSYSOFP-MNOVXSKESA-N 0 0 269.385 3.325 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886646327 637626524 /nfs/dbraw/zinc/62/65/24/637626524.db2.gz FVXAEIDRMBERFY-BNLOLNQZSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1c([O-])cccc1F ZINC000886649590 637630415 /nfs/dbraw/zinc/63/04/15/637630415.db2.gz DRNMDCNONDBXLL-OXIQGZBJSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cc(F)cc(F)c1[O-] ZINC000886684228 637650040 /nfs/dbraw/zinc/65/00/40/637650040.db2.gz HUVQSRGDIGEELQ-QMMMGPOBSA-N 0 0 294.301 3.387 20 10 CGCDRN COc1cc(NCc2ccccc2O)c(F)cc1[N+](=O)[O-] ZINC000223229702 637853758 /nfs/dbraw/zinc/85/37/58/637853758.db2.gz LOCIEOWACCZNOD-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN CC(C)N(C(=O)C1=CC(=O)CS1)C1CC(C)(C)C1 ZINC000854894335 638117185 /nfs/dbraw/zinc/11/71/85/638117185.db2.gz YZMHATSAZWRXNH-UHFFFAOYSA-N 0 0 267.394 3.493 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(F)F ZINC000112900534 638131238 /nfs/dbraw/zinc/13/12/38/638131238.db2.gz MVKHTMIUAXYTRA-UHFFFAOYSA-N 0 0 298.358 3.493 20 10 CGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000856227644 638325413 /nfs/dbraw/zinc/32/54/13/638325413.db2.gz UHLRBVHKWSRWKA-JTQLQIEISA-N 0 0 267.394 3.400 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cn(C)nc1Cl ZINC000857037838 638438366 /nfs/dbraw/zinc/43/83/66/638438366.db2.gz XMGHLGHENNNSEG-UHFFFAOYSA-N 0 0 291.782 3.035 20 10 CGCDRN Cc1csc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857548071 638516255 /nfs/dbraw/zinc/51/62/55/638516255.db2.gz BWALUUCUZGPMIO-UHFFFAOYSA-N 0 0 281.764 3.346 20 10 CGCDRN Cc1c(F)cccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857548344 638516339 /nfs/dbraw/zinc/51/63/39/638516339.db2.gz JZAIJPLIGCWUIU-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000857546444 638516406 /nfs/dbraw/zinc/51/64/06/638516406.db2.gz DLWMHRQDTTYRIJ-UHFFFAOYSA-N 0 0 281.764 3.346 20 10 CGCDRN O=C(N[C@H](C(F)F)C1CCCCC1)C1=CC(=O)CS1 ZINC000857741354 638561788 /nfs/dbraw/zinc/56/17/88/638561788.db2.gz CBYNFQPVWBPFFK-NSHDSACASA-N 0 0 289.347 3.398 20 10 CGCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cccnc1 ZINC000858088135 638623574 /nfs/dbraw/zinc/62/35/74/638623574.db2.gz RNJWSBBLAVMISF-NSHDSACASA-N 0 0 291.345 3.277 20 10 CGCDRN Cc1cc(CNC(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC000858087159 638623732 /nfs/dbraw/zinc/62/37/32/638623732.db2.gz LKTNGZUQFNRBRN-UHFFFAOYSA-N 0 0 283.375 3.056 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC2(C)CCCC2)c1 ZINC000858206132 638657290 /nfs/dbraw/zinc/65/72/90/638657290.db2.gz ITRPZVWOPSFILD-UHFFFAOYSA-N 0 0 276.380 3.080 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858254306 638665088 /nfs/dbraw/zinc/66/50/88/638665088.db2.gz YGPPRINSBFJQSU-YPMHNXCESA-N 0 0 278.396 3.325 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CC23CCCCC3)c1 ZINC000858341806 638686461 /nfs/dbraw/zinc/68/64/61/638686461.db2.gz FWKMCMJLESMNBD-HNNXBMFYSA-N 0 0 288.391 3.223 20 10 CGCDRN CC(F)(F)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000187374706 638880964 /nfs/dbraw/zinc/88/09/64/638880964.db2.gz VPBSITHVFMDSDD-UHFFFAOYSA-N 0 0 293.269 3.462 20 10 CGCDRN Cc1c(C(=O)NCc2c(O)cccc2F)ccn1C(C)C ZINC000928706204 638889331 /nfs/dbraw/zinc/88/93/31/638889331.db2.gz OUUPCMBLGVGKLO-UHFFFAOYSA-N 0 0 290.338 3.152 20 10 CGCDRN CCN(CCc1ccns1)c1ccc(OC)c(OC)c1 ZINC000929896610 638959998 /nfs/dbraw/zinc/95/99/98/638959998.db2.gz FFRVVHRDLSMFCF-UHFFFAOYSA-N 0 0 292.404 3.229 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nccnc1F ZINC000858572471 638995648 /nfs/dbraw/zinc/99/56/48/638995648.db2.gz UIQKUFDVILOQQQ-GFCCVEGCSA-N 0 0 288.370 3.033 20 10 CGCDRN COc1ccc(N(C)Cc2cc(CO)ccc2F)cc1F ZINC000859162981 639095565 /nfs/dbraw/zinc/09/55/65/639095565.db2.gz AOMAYAMRQSKDAC-UHFFFAOYSA-N 0 0 293.313 3.102 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1 ZINC000859278889 639124323 /nfs/dbraw/zinc/12/43/23/639124323.db2.gz WNRBYVKQWVXRQM-UHFFFAOYSA-N 0 0 293.798 3.497 20 10 CGCDRN Nc1ccc(NC(=O)N[C@H](c2ccccn2)C2CCC2)cc1 ZINC000859698626 639193717 /nfs/dbraw/zinc/19/37/17/639193717.db2.gz ZXMYTSITVUORTB-INIZCTEOSA-N 0 0 296.374 3.327 20 10 CGCDRN CCc1csc(NC(=O)NCc2cc(C)ccc2O)n1 ZINC000860704995 639407321 /nfs/dbraw/zinc/40/73/21/639407321.db2.gz CWSITNUMHFRMMF-UHFFFAOYSA-N 0 0 291.376 3.041 20 10 CGCDRN O=C1O[C@H](CSc2nccs2)CN1c1ccccc1 ZINC000118612512 639625585 /nfs/dbraw/zinc/62/55/85/639625585.db2.gz SQMDZPXNADJESM-NSHDSACASA-N 0 0 292.385 3.261 20 10 CGCDRN C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)CC=CCC1 ZINC000862026048 639634884 /nfs/dbraw/zinc/63/48/84/639634884.db2.gz FSPZKBWALLKLRB-GOSISDBHSA-N 0 0 296.370 3.303 20 10 CGCDRN C[C@@H]1CC[C@@H](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026998 639635104 /nfs/dbraw/zinc/63/51/04/639635104.db2.gz GPOMGRXNAJCKKF-CHWSQXEVSA-N 0 0 298.386 3.383 20 10 CGCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027323 639636501 /nfs/dbraw/zinc/63/65/01/639636501.db2.gz NVMBQWNUKKLDIM-NWDGAFQWSA-N 0 0 286.375 3.239 20 10 CGCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000862130123 639649198 /nfs/dbraw/zinc/64/91/98/639649198.db2.gz CZKRKLCNFICEPL-SSDOTTSWSA-N 0 0 295.688 3.250 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H](C)c2ccccc2C)c(O)c1 ZINC000935771292 639856717 /nfs/dbraw/zinc/85/67/17/639856717.db2.gz QRYXGHQMUCJFFX-ZDUSSCGKSA-N 0 0 299.370 3.129 20 10 CGCDRN CCCN(CC)CC[NH2+][C@H](CC)c1ccccc1O ZINC000156186221 639969451 /nfs/dbraw/zinc/96/94/51/639969451.db2.gz BMCWPYJFZYHGTF-OAHLLOKOSA-N 0 0 264.413 3.165 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccn1 ZINC000048347608 640049871 /nfs/dbraw/zinc/04/98/71/640049871.db2.gz BLAZYGKMQHPJSA-UHFFFAOYSA-N 0 0 298.390 3.202 20 10 CGCDRN Cc1ccccc1CNC(=O)[C@H](C)Sc1nccs1 ZINC000048875871 640074560 /nfs/dbraw/zinc/07/45/60/640074560.db2.gz AGJMSMBOGPDHMD-NSHDSACASA-N 0 0 292.429 3.249 20 10 CGCDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000078585495 640327121 /nfs/dbraw/zinc/32/71/21/640327121.db2.gz GYVRCLFQKDVGMI-ZDUSSCGKSA-N 0 0 297.402 3.361 20 10 CGCDRN Cc1cc(C)c(/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000192690164 640397472 /nfs/dbraw/zinc/39/74/72/640397472.db2.gz GWRPLIAAUOISSI-GHXNOFRVSA-N 0 0 277.414 3.443 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2cccc3[nH]ccc32)cc1 ZINC000079694661 640422753 /nfs/dbraw/zinc/42/27/53/640422753.db2.gz BOQPLTBYCRQTLG-UHFFFAOYSA-N 0 0 293.370 3.164 20 10 CGCDRN O=C(/C=C/c1cccnc1)N1CCCc2ccc(F)cc21 ZINC000194605913 640544556 /nfs/dbraw/zinc/54/45/56/640544556.db2.gz FWIZEQUYSVNLBD-VMPITWQZSA-N 0 0 282.318 3.213 20 10 CGCDRN COc1cccc(CSc2ncc([N+](=O)[O-])s2)c1 ZINC000195511841 640587390 /nfs/dbraw/zinc/58/73/90/640587390.db2.gz PSRLMWMCSLFRJK-UHFFFAOYSA-N 0 0 282.346 3.352 20 10 CGCDRN COc1ccc(CN2CCc3cc(OC)ccc32)cc1 ZINC000195739555 640593848 /nfs/dbraw/zinc/59/38/48/640593848.db2.gz CPUFFYYSABWLGM-UHFFFAOYSA-N 0 0 269.344 3.267 20 10 CGCDRN COc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1O ZINC000253089603 640871350 /nfs/dbraw/zinc/87/13/50/640871350.db2.gz CZVWNIIBPMGVNP-FRRDWIJNSA-N 0 0 263.381 3.267 20 10 CGCDRN CCc1nc(CNCc2c(O)cccc2Cl)cs1 ZINC000113339749 640976541 /nfs/dbraw/zinc/97/65/41/640976541.db2.gz DRHCSBALJJJUCZ-UHFFFAOYSA-N 0 0 282.796 3.354 20 10 CGCDRN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(O)c1O ZINC000114428823 640997229 /nfs/dbraw/zinc/99/72/29/640997229.db2.gz XTNGMKYCGHEZCK-BZNIZROVSA-N 0 0 297.354 3.151 20 10 CGCDRN CCOc1cccnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156926970 805754972 /nfs/dbraw/zinc/75/49/72/805754972.db2.gz FQUDCBJWLAIAPX-UHFFFAOYSA-N 0 0 285.391 3.183 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccncc1F ZINC001157042074 805767990 /nfs/dbraw/zinc/76/79/90/805767990.db2.gz VZFMCLQOXMFMFD-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN CC[C@@H](O)CNc1ccccc1C(=O)c1ccccc1 ZINC001251784232 805933393 /nfs/dbraw/zinc/93/33/93/805933393.db2.gz BVECTAXSJAAPBF-CQSZACIVSA-N 0 0 269.344 3.100 20 10 CGCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)[C@@H]1CC1(C)C ZINC001252027677 805976750 /nfs/dbraw/zinc/97/67/50/805976750.db2.gz HZTATMYMMGTLRX-KBPBESRZSA-N 0 0 290.407 3.325 20 10 CGCDRN CC(C)Sc1ccc(NCc2ccc(O)c(O)c2)nn1 ZINC001158997504 806028934 /nfs/dbraw/zinc/02/89/34/806028934.db2.gz KALWRQYRKXGOAE-UHFFFAOYSA-N 0 0 291.376 3.000 20 10 CGCDRN CCCCC[C@H](O)CNc1ccccc1OCC ZINC001253543888 806245407 /nfs/dbraw/zinc/24/54/07/806245407.db2.gz HNOBSEDQRQRZQL-ZDUSSCGKSA-N 0 0 251.370 3.438 20 10 CGCDRN CSc1ncc(Cl)c(NCc2cccc(C)c2O)n1 ZINC001160764182 806300708 /nfs/dbraw/zinc/30/07/08/806300708.db2.gz DSFMOTVVGDPGIM-UHFFFAOYSA-N 0 0 295.795 3.478 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(Cl)cn2)c(O)c1 ZINC001160808237 806305019 /nfs/dbraw/zinc/30/50/19/806305019.db2.gz OQFZJUBUTRPLJI-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN Cc1cc2c(ncnc2NCc2c(C)cc(C)cc2O)[nH]1 ZINC001160808078 806303861 /nfs/dbraw/zinc/30/38/61/806303861.db2.gz ISKYUJQCOGKCEY-UHFFFAOYSA-N 0 0 282.347 3.201 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1ccc2sccc2c1 ZINC001162279295 806546639 /nfs/dbraw/zinc/54/66/39/806546639.db2.gz ZQKYAKQXRDVJOO-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN Cc1cccc2c(NCc3ccc(N)cc3)ncnc12 ZINC001162783844 806664434 /nfs/dbraw/zinc/66/44/34/806664434.db2.gz AZRKFLMWMWDGSY-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN Nc1ccc(CNC(F)(F)Oc2cccnc2Cl)cc1 ZINC001162784365 806665149 /nfs/dbraw/zinc/66/51/49/806665149.db2.gz MFWAJOMFOUICFA-UHFFFAOYSA-N 0 0 299.708 3.036 20 10 CGCDRN Nc1ccc(CNc2ccc3cc(Cl)cnc3n2)cc1 ZINC001162786243 806665839 /nfs/dbraw/zinc/66/58/39/806665839.db2.gz VDJKWANRTAWWQQ-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN CCc1nc2sccc2c(NCc2ccc(N)cc2)n1 ZINC001162787565 806666256 /nfs/dbraw/zinc/66/62/56/806666256.db2.gz NFWDULMCNWBULP-UHFFFAOYSA-N 0 0 284.388 3.448 20 10 CGCDRN CCC[C@@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037328804 798866982 /nfs/dbraw/zinc/86/69/82/798866982.db2.gz DNNWEUMHDKGFAS-SNVBAGLBSA-N 0 0 267.344 3.354 20 10 CGCDRN O=[N+]([O-])c1ccc2oc(CSc3nccs3)nc2c1 ZINC000176938892 799103660 /nfs/dbraw/zinc/10/36/60/799103660.db2.gz ZNQJXICHQAXGNN-UHFFFAOYSA-N 0 0 293.329 3.485 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc2c(c1)CCCO2 ZINC000260031346 799175529 /nfs/dbraw/zinc/17/55/29/799175529.db2.gz LOILXATXSCVOSP-UHFFFAOYSA-N 0 0 254.333 3.362 20 10 CGCDRN COc1ccc(N(C)Cc2csc(Cl)n2)cc1 ZINC000384021905 799411497 /nfs/dbraw/zinc/41/14/97/799411497.db2.gz KDLDCCIJYAXPFQ-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN CCc1nc(C[NH2+]Cc2cccc(Cl)c2[O-])cs1 ZINC000385510106 799426302 /nfs/dbraw/zinc/42/63/02/799426302.db2.gz MRRJBZVFWRPRIT-UHFFFAOYSA-N 0 0 282.796 3.354 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000397399840 799516859 /nfs/dbraw/zinc/51/68/59/799516859.db2.gz TYNYXSLYWKIEMJ-ZDUSSCGKSA-N 0 0 290.190 3.215 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000397982266 799524137 /nfs/dbraw/zinc/52/41/37/799524137.db2.gz SBHDTCZWQYRGEC-FXPVBKGRSA-N 0 0 255.358 3.076 20 10 CGCDRN Oc1ccc(Cl)cc1CN[C@@H]1CCCC1(F)F ZINC000398147051 799526761 /nfs/dbraw/zinc/52/67/61/799526761.db2.gz OGFXGGFYKOBKLA-LLVKDONJSA-N 0 0 261.699 3.323 20 10 CGCDRN C[C@@H](N[C@@H]1CCCC1(F)F)c1cc(F)ccc1O ZINC000398212084 799528047 /nfs/dbraw/zinc/52/80/47/799528047.db2.gz SRMAEKWIDGTGJD-PRHODGIISA-N 0 0 259.271 3.370 20 10 CGCDRN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000398580642 799532030 /nfs/dbraw/zinc/53/20/30/799532030.db2.gz ORDPQEJUWGSMTR-NSHDSACASA-N 0 0 283.327 3.245 20 10 CGCDRN CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000403811913 799572061 /nfs/dbraw/zinc/57/20/61/799572061.db2.gz JWRYRMKVJCOPBO-LBPRGKRZSA-N 0 0 283.799 3.435 20 10 CGCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1 ZINC000588403692 799689429 /nfs/dbraw/zinc/68/94/29/799689429.db2.gz VZPRPSGCHSHDON-YVMONPNESA-N 0 0 283.327 3.367 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1cccc3c1CCO3)CC2 ZINC000690193221 799774199 /nfs/dbraw/zinc/77/41/99/799774199.db2.gz TVLHQSFDANDZCW-CQSZACIVSA-N 0 0 267.328 3.427 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000694788841 799823692 /nfs/dbraw/zinc/82/36/92/799823692.db2.gz IRWFDGOFGFSTFD-PEGIJTEDSA-N 0 0 269.772 3.091 20 10 CGCDRN C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])CC(F)F ZINC000697752936 799848369 /nfs/dbraw/zinc/84/83/69/799848369.db2.gz NOUIPNSTIOEZRT-RKDXNWHRSA-N 0 0 261.287 3.473 20 10 CGCDRN COc1cc(Cl)cc(CN[C@H](C)c2cscn2)c1O ZINC000697874279 799850381 /nfs/dbraw/zinc/85/03/81/799850381.db2.gz ZFVPHXXFLLAYQC-MRVPVSSYSA-N 0 0 298.795 3.362 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCS1 ZINC000703257447 799922134 /nfs/dbraw/zinc/92/21/34/799922134.db2.gz PMLPXFMGMRHBTO-ZDUSSCGKSA-N 0 0 273.348 3.046 20 10 CGCDRN CCC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OCC ZINC000705312111 799946967 /nfs/dbraw/zinc/94/69/67/799946967.db2.gz RZKLFHCEBUIIDU-DGCLKSJQSA-N 0 0 269.360 3.387 20 10 CGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCCF ZINC000708159174 799984070 /nfs/dbraw/zinc/98/40/70/799984070.db2.gz VYUMXEBPCUFZCV-UHFFFAOYSA-N 0 0 296.567 3.257 20 10 CGCDRN CN(C[C@@H]1CC(C)(C)OC1(C)C)c1ccc(N)cc1 ZINC000709703431 800014749 /nfs/dbraw/zinc/01/47/49/800014749.db2.gz UAZLEETWYLDYNV-LBPRGKRZSA-N 0 0 262.397 3.299 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711501449 800064701 /nfs/dbraw/zinc/06/47/01/800064701.db2.gz FRLGYDPTTCHJFR-QMMMGPOBSA-N 0 0 278.154 3.490 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(C2CC2)CCC1 ZINC000717858912 800207418 /nfs/dbraw/zinc/20/74/18/800207418.db2.gz YMEDIMFFVJKZSZ-UHFFFAOYSA-N 0 0 253.292 3.093 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCC=CCC1 ZINC000718029316 800209529 /nfs/dbraw/zinc/20/95/29/800209529.db2.gz KZRLXUMWISEAIQ-UHFFFAOYSA-N 0 0 253.292 3.259 20 10 CGCDRN COc1ccc(CNCc2nc(C)c(C)s2)cc1C ZINC000719561790 800243506 /nfs/dbraw/zinc/24/35/06/800243506.db2.gz QUSXAKFHMAAKKT-UHFFFAOYSA-N 0 0 276.405 3.367 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000720494774 800259333 /nfs/dbraw/zinc/25/93/33/800259333.db2.gz JBXIIXPUWQTAQF-SECBINFHSA-N 0 0 290.190 3.310 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722318073 800313768 /nfs/dbraw/zinc/31/37/68/800313768.db2.gz CAFUHOMCLNJMBP-JSGCOSHPSA-N 0 0 281.783 3.093 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCOC1 ZINC000724013660 800353897 /nfs/dbraw/zinc/35/38/97/800353897.db2.gz QZMONXRAJRZAQX-ZOWXZIJZSA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1ccc(C(=O)Nc2c3nonc3ccc2Cl)s1 ZINC001256175487 806844120 /nfs/dbraw/zinc/84/41/20/806844120.db2.gz KTOVCWXWWXNKOB-UHFFFAOYSA-N 0 0 293.735 3.498 20 10 CGCDRN C[C@H](OC1CCCCC1)C(=O)N(C)Cc1ccccc1O ZINC001116070849 802296605 /nfs/dbraw/zinc/29/66/05/802296605.db2.gz GIHOIHYCIGMYCB-ZDUSSCGKSA-N 0 0 291.391 3.088 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ncccc1C ZINC001116460955 802357963 /nfs/dbraw/zinc/35/79/63/802357963.db2.gz LYPFVYWCQJOKCL-UHFFFAOYSA-N 0 0 268.360 3.351 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2occ(C)c2C)c1 ZINC001117116108 802434326 /nfs/dbraw/zinc/43/43/26/802434326.db2.gz ZOGQKNHPHSUXPK-LLVKDONJSA-N 0 0 289.331 3.102 20 10 CGCDRN C[C@H]1Cc2ccccc2N(C(=O)C2=CC(=O)CS2)C1 ZINC001118577596 802586262 /nfs/dbraw/zinc/58/62/62/802586262.db2.gz RGWNCAQSBWHMJH-JTQLQIEISA-N 0 0 273.357 3.293 20 10 CGCDRN CC(C)=CCC[C@@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001120536420 802748606 /nfs/dbraw/zinc/74/86/06/802748606.db2.gz OYNATUQZPSXBEV-CYBMUJFWSA-N 0 0 275.396 3.203 20 10 CGCDRN CC[C@@H](CC1CCCC1)C(=O)NCc1cccc(O)c1O ZINC001123889135 802979267 /nfs/dbraw/zinc/97/92/67/802979267.db2.gz MXRDTWPVWJABPA-ZDUSSCGKSA-N 0 0 291.391 3.321 20 10 CGCDRN CCN(C(=O)/C=C\c1cccnc1C)c1ccccc1 ZINC001124337836 803014144 /nfs/dbraw/zinc/01/41/44/803014144.db2.gz ZRMAZQRZESFEBK-QXMHVHEDSA-N 0 0 266.344 3.456 20 10 CGCDRN O=c1cc(-c2cc(C3CC3)cnc2F)ccn1CC1CC1 ZINC001243874036 803057196 /nfs/dbraw/zinc/05/71/96/803057196.db2.gz LWWSGCDIDREMJY-UHFFFAOYSA-N 0 0 284.334 3.337 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2ccc(Cl)cc2N)n1 ZINC001244199540 803240068 /nfs/dbraw/zinc/24/00/68/803240068.db2.gz XHCJQPNZNHKLCX-UHFFFAOYSA-N 0 0 272.739 3.179 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccccc2C)c1 ZINC001131329223 803321038 /nfs/dbraw/zinc/32/10/38/803321038.db2.gz CAUNHXLMTKDILU-CMDGGOBGSA-N 0 0 266.344 3.375 20 10 CGCDRN Cc1cc(Cl)c(N)c(-c2ccc3ncc(=O)n(C)c3c2)c1 ZINC001244579483 803450629 /nfs/dbraw/zinc/45/06/29/803450629.db2.gz WNGQVWPYBDWDIQ-UHFFFAOYSA-N 0 0 299.761 3.145 20 10 CGCDRN Cn1ccc2c1nccc2-c1cccc(Cl)c1N ZINC001245179881 803658462 /nfs/dbraw/zinc/65/84/62/803658462.db2.gz FPQDLSSAIWOFRZ-UHFFFAOYSA-N 0 0 257.724 3.476 20 10 CGCDRN Cn1c2cc(-c3cccc(Cl)c3N)ccc2ccc1=O ZINC001245183075 803659886 /nfs/dbraw/zinc/65/98/86/803659886.db2.gz ZAWJSGFBYLRGLR-UHFFFAOYSA-N 0 0 284.746 3.441 20 10 CGCDRN Oc1cccc2c1C[N@H+](Cc1cnc3ccccc3c1)CC2 ZINC001137284443 803707711 /nfs/dbraw/zinc/70/77/11/803707711.db2.gz NZXXTWJCMWTCOE-UHFFFAOYSA-N 0 0 290.366 3.499 20 10 CGCDRN CCC[C@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001137435958 803733661 /nfs/dbraw/zinc/73/36/61/803733661.db2.gz HYOCTCKWJAEDHB-JSGCOSHPSA-N 0 0 291.391 3.068 20 10 CGCDRN CN(Cc1ccccc1O)Cc1ccc(Cl)nc1F ZINC001137478160 803737076 /nfs/dbraw/zinc/73/70/76/803737076.db2.gz XZQYEWBECCMVKH-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN CC(C)Cn1ccc(-c2c[nH]c3ncc(F)cc23)cc1=O ZINC001245434272 803737355 /nfs/dbraw/zinc/73/73/55/803737355.db2.gz YQCSJWHENVBFLZ-UHFFFAOYSA-N 0 0 285.322 3.187 20 10 CGCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001137753145 803768088 /nfs/dbraw/zinc/76/80/88/803768088.db2.gz DWRKUVQTNOGNGG-CYBMUJFWSA-N 0 0 289.306 3.118 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137832020 803777699 /nfs/dbraw/zinc/77/76/99/803777699.db2.gz XCPXPUWKKWAZPN-SNVBAGLBSA-N 0 0 273.298 3.399 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001137832687 803777733 /nfs/dbraw/zinc/77/77/33/803777733.db2.gz DIWNPWIVJPBXHM-LBPRGKRZSA-N 0 0 295.251 3.255 20 10 CGCDRN C[N@H+](CCc1ccccc1)Cc1c([O-])cccc1F ZINC001137831518 803778846 /nfs/dbraw/zinc/77/88/46/803778846.db2.gz CGTIAKFPVGZVGU-UHFFFAOYSA-N 0 0 259.324 3.206 20 10 CGCDRN CN(Cc1ccccc1O)Cc1cc(F)cc(F)c1F ZINC001137873545 803792095 /nfs/dbraw/zinc/79/20/95/803792095.db2.gz JGFFUKMKYVYNAF-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN CCCOC1CN(Cc2c3ccccc3n(C)c2C)C1 ZINC001138256721 803881509 /nfs/dbraw/zinc/88/15/09/803881509.db2.gz HUQNPVVLAWIYIU-UHFFFAOYSA-N 0 0 272.392 3.098 20 10 CGCDRN CCC[NH+](CCC)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126215 804134346 /nfs/dbraw/zinc/13/43/46/804134346.db2.gz AQVCAPCZDUIPQR-UHFFFAOYSA-N 0 0 289.375 3.429 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC12CCCC2 ZINC001139680727 804249129 /nfs/dbraw/zinc/24/91/29/804249129.db2.gz ARVZQEVVRJZAJO-UHFFFAOYSA-N 0 0 253.292 3.189 20 10 CGCDRN CC(C)[N@@H+](Cc1c(F)ccc(F)c1[O-])CC1CC1 ZINC001139682907 804251424 /nfs/dbraw/zinc/25/14/24/804251424.db2.gz FDCPIKRJEVCAIG-UHFFFAOYSA-N 0 0 255.308 3.291 20 10 CGCDRN C[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])CC1(F)F ZINC001139685654 804252793 /nfs/dbraw/zinc/25/27/93/804252793.db2.gz RPDRDTMKRBGGJS-QMMMGPOBSA-N 0 0 277.261 3.148 20 10 CGCDRN [O-]c1c(F)ccc(F)c1CN1CCC[C@H](F)C(F)(F)C1 ZINC001139685778 804252933 /nfs/dbraw/zinc/25/29/33/804252933.db2.gz WYWGMAGGHRHMDJ-NSHDSACASA-N 0 0 295.251 3.240 20 10 CGCDRN c1snnc1-c1nc(-c2cccc3c2CCCC3)no1 ZINC001212361709 815010488 /nfs/dbraw/zinc/01/04/88/815010488.db2.gz BUKFCENLUXANGW-UHFFFAOYSA-N 0 0 284.344 3.134 20 10 CGCDRN Fc1cc(Cl)ccc1-c1noc(-c2csnn2)n1 ZINC001212362732 815010561 /nfs/dbraw/zinc/01/05/61/815010561.db2.gz YJTCLLTYEIPURW-UHFFFAOYSA-N 0 0 282.687 3.048 20 10 CGCDRN FC(F)(F)c1ccccc1-c1noc(-c2csnn2)n1 ZINC001212362440 815010584 /nfs/dbraw/zinc/01/05/84/815010584.db2.gz UIDUNBBOGVTHTO-UHFFFAOYSA-N 0 0 298.249 3.274 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2nc(Cl)ccc2C1 ZINC001140055063 804364074 /nfs/dbraw/zinc/36/40/74/804364074.db2.gz GKXADBTUIYCUDH-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN C[N@H+](Cc1ccccn1)Cc1ccc(Cl)cc1O ZINC001140461209 804441008 /nfs/dbraw/zinc/44/10/08/804441008.db2.gz HDSRLPSBGRCBKS-UHFFFAOYSA-N 0 0 262.740 3.073 20 10 CGCDRN CC1(C)C[N@H+](Cc2ccc(Cl)cc2O)[C@@](C)(CO)C1 ZINC001140462276 804441176 /nfs/dbraw/zinc/44/11/76/804441176.db2.gz DCZKIKSUTSLGDF-OAHLLOKOSA-N 0 0 283.799 3.029 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC001140502941 804448287 /nfs/dbraw/zinc/44/82/87/804448287.db2.gz IBKHZCKEGGITBZ-UHFFFAOYSA-N 0 0 298.386 3.083 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001212405089 815020164 /nfs/dbraw/zinc/02/01/64/815020164.db2.gz GZEQHVFPAWZPFA-UHFFFAOYSA-N 0 0 296.714 3.356 20 10 CGCDRN Cc1snnc1-c1nc(-c2cc(C)cc(C)c2)no1 ZINC001212405549 815020280 /nfs/dbraw/zinc/02/02/80/815020280.db2.gz VISRKIOXJXMCNC-UHFFFAOYSA-N 0 0 272.333 3.180 20 10 CGCDRN Cc1ccc(CN2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001140950895 804557951 /nfs/dbraw/zinc/55/79/51/804557951.db2.gz NSPCHPZZPDCUIX-UHFFFAOYSA-N 0 0 287.334 3.103 20 10 CGCDRN CN1CCOc2cc(CN3Cc4cccc(F)c4C3)ccc21 ZINC001141143961 804596494 /nfs/dbraw/zinc/59/64/94/804596494.db2.gz PYTGXVQSZGUNLM-UHFFFAOYSA-N 0 0 298.361 3.170 20 10 CGCDRN CCc1cccc(N(C)C(=O)/C=C\c2cncc(O)c2)c1 ZINC001141893282 804677984 /nfs/dbraw/zinc/67/79/84/804677984.db2.gz GJNZNIJEJRHUHW-FPLPWBNLSA-N 0 0 282.343 3.026 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CC2(C1)CCCC2 ZINC001142508538 804727882 /nfs/dbraw/zinc/72/78/82/804727882.db2.gz CJCOZKJHGCTIPE-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001142512690 804728828 /nfs/dbraw/zinc/72/88/28/804728828.db2.gz IHJXLKSVYDZUHZ-UHFFFAOYSA-N 0 0 285.309 3.385 20 10 CGCDRN C[N@H+](CCOc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142520169 804730381 /nfs/dbraw/zinc/73/03/81/804730381.db2.gz CLLQQTIDFYJVLO-UHFFFAOYSA-N 0 0 293.313 3.181 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])C2(CC2)C1 ZINC001142526976 804731620 /nfs/dbraw/zinc/73/16/20/804731620.db2.gz DOKZHXQOBOBSAQ-VIFPVBQESA-N 0 0 253.292 3.045 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001142521042 804731651 /nfs/dbraw/zinc/73/16/51/804731651.db2.gz VFEPNVKNDXJPKT-UWVGGRQHSA-N 0 0 255.308 3.291 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CCC[C@H]1c1nccs1 ZINC001142527549 804734004 /nfs/dbraw/zinc/73/40/04/804734004.db2.gz YRWAJXUYAIKHMJ-LBPRGKRZSA-N 0 0 296.342 3.464 20 10 CGCDRN CCC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142723535 804761630 /nfs/dbraw/zinc/76/16/30/804761630.db2.gz AZRIEHJUMIMODE-OAHLLOKOSA-N 0 0 261.365 3.159 20 10 CGCDRN CCC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001142719437 804762274 /nfs/dbraw/zinc/76/22/74/804762274.db2.gz OWSJIDVUUMPVIZ-UHFFFAOYSA-N 0 0 254.333 3.212 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H](C)O)n2)cc1 ZINC001248494983 804938049 /nfs/dbraw/zinc/93/80/49/804938049.db2.gz HKSMQJPPNZTXQQ-ZDUSSCGKSA-N 0 0 297.358 3.067 20 10 CGCDRN C[C@@H](CC(=O)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001144425754 804985664 /nfs/dbraw/zinc/98/56/64/804985664.db2.gz ZKADHOWWDWDIDN-AWEZNQCLSA-N 0 0 295.382 3.471 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](F)c2ccccc2)c1 ZINC001147957196 805157735 /nfs/dbraw/zinc/15/77/35/805157735.db2.gz OEEOYPBNRVCLPI-HNNXBMFYSA-N 0 0 273.307 3.028 20 10 CGCDRN COc1cc(C)c(Nc2cccc(O)c2O)c(C)c1 ZINC001250035714 805381454 /nfs/dbraw/zinc/38/14/54/805381454.db2.gz XVRBDHYVRWXJAL-UHFFFAOYSA-N 0 0 259.305 3.467 20 10 CGCDRN CCN(Cc1ccccc1O)c1ccc(Cl)c(OC)n1 ZINC001154889334 805504900 /nfs/dbraw/zinc/50/49/00/805504900.db2.gz WIHGGWSVSILCNN-UHFFFAOYSA-N 0 0 292.766 3.476 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(-c4ncco4)o3)cc2)c1 ZINC001256978782 807021818 /nfs/dbraw/zinc/02/18/18/807021818.db2.gz SLGIFXNGTRFCFB-UHFFFAOYSA-N 0 0 278.271 3.182 20 10 CGCDRN Oc1cccc(-c2nnc(CC3CCCCC3)o2)c1O ZINC001257004157 807025137 /nfs/dbraw/zinc/02/51/37/807025137.db2.gz FSAKZNKFMPYGMT-UHFFFAOYSA-N 0 0 274.320 3.271 20 10 CGCDRN Cc1cccc(-c2noc(-c3nnsc3C(C)C)n2)n1 ZINC001212687215 815103557 /nfs/dbraw/zinc/10/35/57/815103557.db2.gz HVJMFBUTTXNYCW-UHFFFAOYSA-N 0 0 287.348 3.082 20 10 CGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)C1CCCCC1 ZINC001259815048 807689695 /nfs/dbraw/zinc/68/96/95/807689695.db2.gz KCQQMPWVUZZPFG-UHFFFAOYSA-N 0 0 283.393 3.083 20 10 CGCDRN CC[C@H](C)S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC001260739718 807702521 /nfs/dbraw/zinc/70/25/21/807702521.db2.gz ZOEVIFXIPWVWHO-NSHDSACASA-N 0 0 285.409 3.364 20 10 CGCDRN C[C@H](C(=O)Nc1c2nonc2ccc1Cl)c1ccco1 ZINC001261140136 807711879 /nfs/dbraw/zinc/71/18/79/807711879.db2.gz JOBWIAQAEIGOKL-ZETCQYMHSA-N 0 0 291.694 3.211 20 10 CGCDRN COC(=O)c1cnc(SCc2ncoc2C2CC2)s1 ZINC001261262558 807725640 /nfs/dbraw/zinc/72/56/40/807725640.db2.gz CDGUZEDWGPNUSU-UHFFFAOYSA-N 0 0 296.373 3.087 20 10 CGCDRN Cc1cc(C)c2ccc(NCc3ccc(O)c(O)c3)nc2n1 ZINC001169990848 807734243 /nfs/dbraw/zinc/73/42/43/807734243.db2.gz RDACPPHYMRDQLC-UHFFFAOYSA-N 0 0 295.342 3.270 20 10 CGCDRN CCc1nc(Cl)c(C)c(NCc2ccc(O)c(O)c2)n1 ZINC001169992692 807734949 /nfs/dbraw/zinc/73/49/49/807734949.db2.gz KYVRIDNJKFYWKH-UHFFFAOYSA-N 0 0 293.754 3.024 20 10 CGCDRN CC(C)COc1cc(NCc2ccc(O)c(O)c2)ccn1 ZINC001169997218 807736648 /nfs/dbraw/zinc/73/66/48/807736648.db2.gz VYJMUEZQOAJANJ-UHFFFAOYSA-N 0 0 288.347 3.140 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1cccc2ncnn21 ZINC001171404668 808047872 /nfs/dbraw/zinc/04/78/72/808047872.db2.gz HRVBNLXYHVFRLH-UHFFFAOYSA-N 0 0 290.326 3.200 20 10 CGCDRN O=[N+]([O-])c1ncccc1NCc1cc2ccccc2cc1O ZINC001171404374 808048069 /nfs/dbraw/zinc/04/80/69/808048069.db2.gz BMVNUGSPVMYSHB-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN CCN(C(=O)/C=C\c1cccnc1C)c1ccc(OC)cc1 ZINC001264447668 808072340 /nfs/dbraw/zinc/07/23/40/808072340.db2.gz JVYVRXSCHIZKGW-GHXNOFRVSA-N 0 0 296.370 3.465 20 10 CGCDRN C[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1O ZINC001171722748 808125995 /nfs/dbraw/zinc/12/59/95/808125995.db2.gz CQDWXRHMLZUHSP-NLYDNYMLSA-N 0 0 285.318 3.422 20 10 CGCDRN COc1ccc(N(C)CCOc2cccc(OC)c2)cc1 ZINC001171746089 808130514 /nfs/dbraw/zinc/13/05/14/808130514.db2.gz LXVFNYRQGDNBCP-UHFFFAOYSA-N 0 0 287.359 3.219 20 10 CGCDRN COc1cc(OC)c(N(C)c2ccc(N)cc2)c(OC)c1 ZINC001173911927 808755700 /nfs/dbraw/zinc/75/57/00/808755700.db2.gz POZZLIYICSARQV-UHFFFAOYSA-N 0 0 288.347 3.063 20 10 CGCDRN CC(C)NC(=O)c1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001174151256 808892914 /nfs/dbraw/zinc/89/29/14/808892914.db2.gz HRNGJCMRVQCTEX-UHFFFAOYSA-N 0 0 283.375 3.175 20 10 CGCDRN COc1cc(Nc2ccc(N)cc2)cc(F)c1F ZINC001174584197 809091744 /nfs/dbraw/zinc/09/17/44/809091744.db2.gz CNSAOAHQLMAFCR-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN C=CNc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001174791731 809164675 /nfs/dbraw/zinc/16/46/75/809164675.db2.gz KOXRVTGRJCKZIO-UHFFFAOYSA-N 0 0 296.418 3.397 20 10 CGCDRN CN(c1ccc(N)cc1)c1c(F)cc(O)cc1F ZINC001175099338 809269467 /nfs/dbraw/zinc/26/94/67/809269467.db2.gz BAGCGONPLARKNH-UHFFFAOYSA-N 0 0 250.248 3.021 20 10 CGCDRN Cc1nc(N)ncc1N(c1ccccc1)c1ccc(N)cc1 ZINC001175670431 809499460 /nfs/dbraw/zinc/49/94/60/809499460.db2.gz FIKFOVBJSNWJAL-UHFFFAOYSA-N 0 0 291.358 3.419 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccnc(Br)c1 ZINC001175748174 809530418 /nfs/dbraw/zinc/53/04/18/809530418.db2.gz FRMLJMOSWZIQRA-UHFFFAOYSA-N 0 0 278.153 3.194 20 10 CGCDRN C/C(=C\C(=O)NCc1cc(O)ccc1O)c1ccccc1C ZINC001303225211 809606188 /nfs/dbraw/zinc/60/61/88/809606188.db2.gz BKIGWGOTQMJPHM-UKTHLTGXSA-N 0 0 297.354 3.126 20 10 CGCDRN CN(CC[NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001177524856 809804011 /nfs/dbraw/zinc/80/40/11/809804011.db2.gz JKDUBSUQQOBABI-UHFFFAOYSA-N 0 0 298.377 3.025 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001177855184 809826371 /nfs/dbraw/zinc/82/63/71/809826371.db2.gz NKUSPTYZJMVXGM-LBPRGKRZSA-N 0 0 289.325 3.490 20 10 CGCDRN Cc1nnc(NCc2cc(Cl)cc(F)c2O)n1C1CC1 ZINC001179636655 809933689 /nfs/dbraw/zinc/93/36/89/809933689.db2.gz JQMRSFWSSIBGAF-UHFFFAOYSA-N 0 0 296.733 3.032 20 10 CGCDRN Cc1cc(C)c(NC(=O)/C=C/c2ccc(N(C)C)cc2)cn1 ZINC001180122789 809976557 /nfs/dbraw/zinc/97/65/57/809976557.db2.gz GDUWIOJIXTWMET-JXMROGBWSA-N 0 0 295.386 3.416 20 10 CGCDRN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001180325815 809993499 /nfs/dbraw/zinc/99/34/99/809993499.db2.gz BEHNHUBMCAEOQY-STQMWFEESA-N 0 0 299.361 3.354 20 10 CGCDRN Cc1ccc2c(c1)OCCN2Cc1cc(F)cc(F)c1O ZINC001180645550 810015167 /nfs/dbraw/zinc/01/51/67/810015167.db2.gz DCSKRKQLILZLLD-UHFFFAOYSA-N 0 0 291.297 3.378 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001180715854 810019001 /nfs/dbraw/zinc/01/90/01/810019001.db2.gz JGRJYPHDPCJFBO-YOWGUQMCSA-N 0 0 257.377 3.494 20 10 CGCDRN O=C([C@H]1CC12CCCCC2)N1CCc2cccc(O)c2C1 ZINC001181907780 810083144 /nfs/dbraw/zinc/08/31/44/810083144.db2.gz CLEORPXVJKAAMJ-OAHLLOKOSA-N 0 0 285.387 3.247 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001182865269 810128575 /nfs/dbraw/zinc/12/85/75/810128575.db2.gz WKFSTXGFFSLACN-MXWKQRLJSA-N 0 0 271.282 3.055 20 10 CGCDRN CN(c1ccc(N)cc1)c1cccnc1N1CCCC1 ZINC001184964506 810226499 /nfs/dbraw/zinc/22/64/99/810226499.db2.gz LAXVURVUKUNPIO-UHFFFAOYSA-N 0 0 268.364 3.032 20 10 CGCDRN CC[C@@H](C)CCC(=O)NCc1c(C)cc(C)cc1O ZINC001185582911 810279009 /nfs/dbraw/zinc/27/90/09/810279009.db2.gz TXDNABXRDMVSPU-LLVKDONJSA-N 0 0 263.381 3.452 20 10 CGCDRN CN(Cc1ccccc1O)c1nc(Cl)cs1 ZINC001185838426 810295809 /nfs/dbraw/zinc/29/58/09/810295809.db2.gz HYHHPZLSUCGXFH-UHFFFAOYSA-N 0 0 254.742 3.139 20 10 CGCDRN Cc1cccc(CNC(=O)N[C@H](C)C2CCCCC2)c1O ZINC001186358678 810332566 /nfs/dbraw/zinc/33/25/66/810332566.db2.gz JFCZVPBYQIYJPM-CYBMUJFWSA-N 0 0 290.407 3.469 20 10 CGCDRN Cc1ccc2oc(NCc3cc(O)ccc3O)nc2c1 ZINC001187497898 810401158 /nfs/dbraw/zinc/40/11/58/810401158.db2.gz VBOBKOFKTVUDJV-UHFFFAOYSA-N 0 0 270.288 3.160 20 10 CGCDRN Cc1c(F)cccc1NC(=O)Nc1cccc(O)c1O ZINC001189050825 810539094 /nfs/dbraw/zinc/53/90/94/810539094.db2.gz GFGLJVURGQQWLG-UHFFFAOYSA-N 0 0 276.267 3.189 20 10 CGCDRN Cc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001191013069 810663141 /nfs/dbraw/zinc/66/31/41/810663141.db2.gz LCJSILBOKUIMFF-CYBMUJFWSA-N 0 0 284.359 3.261 20 10 CGCDRN CCCCOC(=O)N(CC)Cc1ccccc1O ZINC001193691268 810936280 /nfs/dbraw/zinc/93/62/80/810936280.db2.gz GOZPTDCQHMOPNL-UHFFFAOYSA-N 0 0 251.326 3.151 20 10 CGCDRN CC[C@@H](C)COC(=O)N(CC)Cc1ccccc1O ZINC001194792800 811135063 /nfs/dbraw/zinc/13/50/63/811135063.db2.gz JWKAYXNNKKWUKE-GFCCVEGCSA-N 0 0 265.353 3.397 20 10 CGCDRN Cc1cc(C)c(CNC(=O)Oc2ccc(F)cc2)c(O)c1 ZINC001195061965 811192407 /nfs/dbraw/zinc/19/24/07/811192407.db2.gz WILTXIRUTIVCKY-UHFFFAOYSA-N 0 0 289.306 3.437 20 10 CGCDRN COc1ccccc1OC(=O)N(C)Cc1ccccc1O ZINC001195253131 811232025 /nfs/dbraw/zinc/23/20/25/811232025.db2.gz JODPLBCRAAIOHO-UHFFFAOYSA-N 0 0 287.315 3.032 20 10 CGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(F)cc1F ZINC001196407926 811341829 /nfs/dbraw/zinc/34/18/29/811341829.db2.gz XGQJKDUYOYOMHO-UHFFFAOYSA-N 0 0 296.248 3.131 20 10 CGCDRN Fc1ccc(NC(=S)NCc2ncccc2Cl)cc1 ZINC001196956541 811385264 /nfs/dbraw/zinc/38/52/64/811385264.db2.gz RQEVSRQVSAFOAN-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN CCN(Cc1ccccc1O)C(=S)NC1CCCC1 ZINC001198539482 811512949 /nfs/dbraw/zinc/51/29/49/811512949.db2.gz IKXUWBCQTAPMIR-UHFFFAOYSA-N 0 0 278.421 3.031 20 10 CGCDRN Oc1ccccc1CNC(=S)Nc1cc(F)cc(F)c1 ZINC001200674334 811732027 /nfs/dbraw/zinc/73/20/27/811732027.db2.gz FFJIPPZWVGEOQN-UHFFFAOYSA-N 0 0 294.326 3.157 20 10 CGCDRN Cc1ccnc(CNC(=S)Nc2ccc(F)c(F)c2)c1 ZINC001200682722 811733931 /nfs/dbraw/zinc/73/39/31/811733931.db2.gz PQXGVWJJGKNGCT-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1cccc(CNC(=S)Nc2ccc(F)c(C)c2)n1 ZINC001201025280 811778136 /nfs/dbraw/zinc/77/81/36/811778136.db2.gz DEWRJVOSSYRDBD-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CCc1nnc([C@H](C)NCc2c(C)c3ccccc3n2C)[nH]1 ZINC001201813949 811967805 /nfs/dbraw/zinc/96/78/05/811967805.db2.gz HHOIYOOXFFECLX-LBPRGKRZSA-N 0 0 297.406 3.018 20 10 CGCDRN Cc1cccc(CNC(=O)Nc2ccccc2)c1O ZINC001201961653 811985195 /nfs/dbraw/zinc/98/51/95/811985195.db2.gz ZXXQIGLEIGRRRP-UHFFFAOYSA-N 0 0 256.305 3.022 20 10 CGCDRN O=C(Nc1ccc(F)cc1F)Nc1cccc(O)c1O ZINC001202020594 811998366 /nfs/dbraw/zinc/99/83/66/811998366.db2.gz UVRZLBZOGRJUFI-UHFFFAOYSA-N 0 0 280.230 3.020 20 10 CGCDRN COCOc1cc(C)c(Nc2cccc(O)c2O)c(C)c1 ZINC001215166286 815490660 /nfs/dbraw/zinc/49/06/60/815490660.db2.gz QRQHDDJQMAGYIX-UHFFFAOYSA-N 0 0 289.331 3.441 20 10 CGCDRN CCOc1ccc(N2CCN(Cc3ccco3)CC2)cc1 ZINC001203285108 812290770 /nfs/dbraw/zinc/29/07/70/812290770.db2.gz UUNJLKQSWKBHPL-UHFFFAOYSA-N 0 0 286.375 3.001 20 10 CGCDRN CN(C)c1ccc(NCc2cc(F)cc(F)c2O)cc1F ZINC001203440514 812359350 /nfs/dbraw/zinc/35/93/50/812359350.db2.gz MIWWUPSZXYZWBU-UHFFFAOYSA-N 0 0 296.292 3.488 20 10 CGCDRN O=C1CCN(Cc2cc(Cl)ccc2O)[C@H]2CCCC[C@@H]12 ZINC001203648144 812416083 /nfs/dbraw/zinc/41/60/83/812416083.db2.gz FCLWVJSRWISUNA-KGLIPLIRSA-N 0 0 293.794 3.379 20 10 CGCDRN Oc1ccc(CN2CCCC[C@H]2C(F)(F)F)cc1O ZINC001203879105 812479030 /nfs/dbraw/zinc/47/90/30/812479030.db2.gz LSFBYJLZBGMAGQ-LBPRGKRZSA-N 0 0 275.270 3.015 20 10 CGCDRN CN(Cc1ccc(O)c(O)c1)Cc1ccc(F)cc1F ZINC001203879116 812478969 /nfs/dbraw/zinc/47/89/69/812478969.db2.gz FQMRPHHIWVAZBV-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN CC[N@H+](Cc1ccc(O)cc1O)Cc1ccccc1F ZINC001204280353 812594197 /nfs/dbraw/zinc/59/41/97/812594197.db2.gz JYMQXOAOBRWNCP-UHFFFAOYSA-N 0 0 275.323 3.259 20 10 CGCDRN CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc(O)cc1O ZINC001204280596 812594950 /nfs/dbraw/zinc/59/49/50/812594950.db2.gz LEBXPWCGCFKVST-UHFFFAOYSA-N 0 0 299.370 3.191 20 10 CGCDRN COc1cc(C)c(C[N@@H+]2CCC[C@H]2C(C)C)c(O)c1 ZINC001204657473 812702151 /nfs/dbraw/zinc/70/21/51/812702151.db2.gz GHLUXYVFCBDXDN-HNNXBMFYSA-N 0 0 263.381 3.330 20 10 CGCDRN COc1cc(C)cc(F)c1Nc1cccc(O)c1O ZINC001215709322 815563779 /nfs/dbraw/zinc/56/37/79/815563779.db2.gz ODMLHIMUAZKOQL-UHFFFAOYSA-N 0 0 263.268 3.298 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cncc(N2CCCC2)c1 ZINC001242617771 823064414 /nfs/dbraw/zinc/06/44/14/823064414.db2.gz SLZPHGMDBDEYMU-UHFFFAOYSA-N 0 0 278.359 3.236 20 10 CGCDRN CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1F ZINC001207621333 813619351 /nfs/dbraw/zinc/61/93/51/813619351.db2.gz FMQXDOOKJQBMAO-FZMZJTMJSA-N 0 0 251.345 3.446 20 10 CGCDRN COc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209728538 814122268 /nfs/dbraw/zinc/12/22/68/814122268.db2.gz QJGAHKZQAZRURL-UHFFFAOYSA-N 0 0 256.305 3.243 20 10 CGCDRN Oc1cccc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209766171 814133137 /nfs/dbraw/zinc/13/31/37/814133137.db2.gz GWWZQPAANKTKSV-UHFFFAOYSA-N 0 0 260.268 3.079 20 10 CGCDRN CC(=O)c1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209765789 814133497 /nfs/dbraw/zinc/13/34/97/814133497.db2.gz AANQUSKHNIUURW-UHFFFAOYSA-N 0 0 268.316 3.437 20 10 CGCDRN O=c1ccc2c(Nc3ccc4c(c3)OCCN4)cccc2[nH]1 ZINC001209788961 814139377 /nfs/dbraw/zinc/13/93/77/814139377.db2.gz SPHHZOYHHTUSKZ-UHFFFAOYSA-N 0 0 293.326 3.488 20 10 CGCDRN COc1cc(F)c(F)cc1Nc1cccc(O)c1O ZINC001210548109 814519036 /nfs/dbraw/zinc/51/90/36/814519036.db2.gz CHIVEWDVQGYLLA-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN Oc1cccc(Nc2ccccc2-n2cccn2)c1O ZINC001210734224 814601735 /nfs/dbraw/zinc/60/17/35/814601735.db2.gz XMXUAEJJGWHAOO-UHFFFAOYSA-N 0 0 267.288 3.027 20 10 CGCDRN CSc1ncc(Nc2cccc(O)c2O)cc1C ZINC001215830796 815608672 /nfs/dbraw/zinc/60/86/72/815608672.db2.gz UAUSJQSMLUKLIU-UHFFFAOYSA-N 0 0 262.334 3.267 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(F)cc(C(C)(C)O)c1 ZINC001216495217 815841849 /nfs/dbraw/zinc/84/18/49/815841849.db2.gz UHBWSJLWAAYKDF-UHFFFAOYSA-N 0 0 274.339 3.403 20 10 CGCDRN CC(C)C[C@@H](Oc1ccc(N)cc1)C(=O)OC(C)C ZINC001218216406 816131510 /nfs/dbraw/zinc/13/15/10/816131510.db2.gz ZIMDXGVDSVDUCG-CQSZACIVSA-N 0 0 265.353 3.014 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC[C@@H]2C)c1 ZINC001221618152 816322946 /nfs/dbraw/zinc/32/29/46/816322946.db2.gz ZFRSOSKDNNGRHK-UONOGXRCSA-N 0 0 290.407 3.326 20 10 CGCDRN Cn1ccc2ncc(-c3cnccc3Br)cc21 ZINC001243056849 823230744 /nfs/dbraw/zinc/23/07/44/823230744.db2.gz DYDPJHKSSYHNSY-UHFFFAOYSA-N 0 0 288.148 3.398 20 10 CGCDRN CC(C)C[C@H](Oc1ccc(N(C)C)cc1)C(=O)OC(C)C ZINC001227938989 817759271 /nfs/dbraw/zinc/75/92/71/817759271.db2.gz HWJJLYXAJADMOD-INIZCTEOSA-N 0 0 293.407 3.498 20 10 CGCDRN CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231453963 818102860 /nfs/dbraw/zinc/10/28/60/818102860.db2.gz MPPDMACLRAGTMO-UHFFFAOYSA-N 0 0 299.370 3.421 20 10 CGCDRN CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452346 818103157 /nfs/dbraw/zinc/10/31/57/818103157.db2.gz MNWRHOGIEWYOCU-AWEZNQCLSA-N 0 0 277.364 3.245 20 10 CGCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCCCO1 ZINC001231465951 818104512 /nfs/dbraw/zinc/10/45/12/818104512.db2.gz IZUJCDSEZNBYGM-UHFFFAOYSA-N 0 0 299.370 3.499 20 10 CGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001231563248 818124926 /nfs/dbraw/zinc/12/49/26/818124926.db2.gz GSFUVLZAUGYLNR-MRXNPFEDSA-N 0 0 297.354 3.428 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1CO ZINC001231588836 818130076 /nfs/dbraw/zinc/13/00/76/818130076.db2.gz VYRVHUDTJLSZBY-DYVFJYSZSA-N 0 0 285.387 3.138 20 10 CGCDRN Cc1cc(C)c(CN(C)Cc2nccs2)c(O)c1 ZINC001231846835 818187523 /nfs/dbraw/zinc/18/75/23/818187523.db2.gz QTAXJXYKWFDGIX-UHFFFAOYSA-N 0 0 262.378 3.098 20 10 CGCDRN COc1cc(N(C)C)ccc1CN1CC[C@H](C)C(F)(F)C1 ZINC001231849800 818188669 /nfs/dbraw/zinc/18/86/69/818188669.db2.gz ZHIKNVIGIIRDQQ-LBPRGKRZSA-N 0 0 298.377 3.238 20 10 CGCDRN Cc1cc(C[N@H+](C)Cc2ccc3ccccc3c2O)n(C)n1 ZINC001231880688 818200504 /nfs/dbraw/zinc/20/05/04/818200504.db2.gz CRZRLILLYOECMU-UHFFFAOYSA-N 0 0 295.386 3.219 20 10 CGCDRN C[N@@H+]1CCN(Cc2cccc(Cl)c2[O-])C2(CCCC2)C1 ZINC001231912986 818212445 /nfs/dbraw/zinc/21/24/45/818212445.db2.gz BZVHRPRKHUMENF-UHFFFAOYSA-N 0 0 294.826 3.106 20 10 CGCDRN Oc1cc(O)c(CN2CCCCC(F)(F)C2)cc1Cl ZINC001232259912 818295782 /nfs/dbraw/zinc/29/57/82/818295782.db2.gz NICSEWPFZNLVRX-UHFFFAOYSA-N 0 0 291.725 3.372 20 10 CGCDRN Oc1cccc2c1CN(Cc1c(Cl)ccnc1F)CC2 ZINC001232620369 818401917 /nfs/dbraw/zinc/40/19/17/818401917.db2.gz PWGZNMXWOXCKDY-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233011746 818501414 /nfs/dbraw/zinc/50/14/14/818501414.db2.gz BZJKQHKNHKHKOJ-OAHLLOKOSA-N 0 0 299.370 3.449 20 10 CGCDRN Oc1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc(O)c1O ZINC001233012227 818501440 /nfs/dbraw/zinc/50/14/40/818501440.db2.gz JYLDSKZJZBPFQO-OAHLLOKOSA-N 0 0 299.370 3.183 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001233331881 818582213 /nfs/dbraw/zinc/58/22/13/818582213.db2.gz ONWIQIAWAGZNCZ-NSHDSACASA-N 0 0 295.251 3.240 20 10 CGCDRN C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)C[C@@H]1F ZINC001233415589 818614111 /nfs/dbraw/zinc/61/41/11/818614111.db2.gz BQDHAMVMACHKEU-KCJUWKMLSA-N 0 0 277.261 3.201 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1O ZINC001234998161 818972327 /nfs/dbraw/zinc/97/23/27/818972327.db2.gz GMVKOEOISFHBJQ-KBXCAEBGSA-N 0 0 297.398 3.262 20 10 CGCDRN COC[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793187 819597933 /nfs/dbraw/zinc/59/79/33/819597933.db2.gz JANYGSBNILWGID-SECBINFHSA-N 0 0 290.190 3.167 20 10 CGCDRN C[C@H]1CC(=O)CCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236792614 819597976 /nfs/dbraw/zinc/59/79/76/819597976.db2.gz GATBBABNRBGUEN-QMMMGPOBSA-N 0 0 288.174 3.252 20 10 CGCDRN CC[C@H]1COCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236832602 819611434 /nfs/dbraw/zinc/61/14/34/819611434.db2.gz IZQFFCYCRRZOEK-INIZCTEOSA-N 0 0 271.360 3.156 20 10 CGCDRN Oc1cc2ccccc2cc1C[N@@H+]1CCC[C@@H](F)C1 ZINC001236841433 819618494 /nfs/dbraw/zinc/61/84/94/819618494.db2.gz KCHGGNKJXBCVQX-OAHLLOKOSA-N 0 0 259.324 3.479 20 10 CGCDRN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236929947 819638141 /nfs/dbraw/zinc/63/81/41/819638141.db2.gz ULVXMNVMKWHEFZ-UHFFFAOYSA-N 0 0 294.826 3.018 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001237049843 819651594 /nfs/dbraw/zinc/65/15/94/819651594.db2.gz LZHFPEIWXUOOAA-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(O)c1 ZINC001237048889 819652649 /nfs/dbraw/zinc/65/26/49/819652649.db2.gz JOLLCOHQDDJPJP-KRWDZBQOSA-N 0 0 275.392 3.271 20 10 CGCDRN Cc1cc(Cl)cc(CN2C[C@@H](F)C[C@H]2CF)c1O ZINC001237681320 819805608 /nfs/dbraw/zinc/80/56/08/819805608.db2.gz NBWOSDVNKOZDAI-RYUDHWBXSA-N 0 0 275.726 3.236 20 10 CGCDRN Cc1cc(F)cc(CN2Cc3cnc(Cl)cc3C2)c1O ZINC001238066718 819923102 /nfs/dbraw/zinc/92/31/02/819923102.db2.gz OSWIXURDZUFJGV-UHFFFAOYSA-N 0 0 292.741 3.404 20 10 CGCDRN c1ccc2c(c1)CCN2c1cc(-c2cccnc2)ncn1 ZINC001239567638 820419062 /nfs/dbraw/zinc/41/90/62/820419062.db2.gz HEJZGTNVUFFIGO-UHFFFAOYSA-N 0 0 274.327 3.233 20 10 CGCDRN CN(c1ccccc1)c1cc(-c2ccc(N)nc2F)ncn1 ZINC001239819620 820635530 /nfs/dbraw/zinc/63/55/30/820635530.db2.gz SFPCEBSRERXPBE-UHFFFAOYSA-N 0 0 295.321 3.028 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2ccc(N)nc2F)cn1 ZINC001239823393 820639314 /nfs/dbraw/zinc/63/93/14/820639314.db2.gz UKYFZOZLIBHJIX-UHFFFAOYSA-N 0 0 282.322 3.272 20 10 CGCDRN CN(CC1CC1)c1cncc(-c2ccc3ccn(C)c3c2)n1 ZINC001240571117 821157104 /nfs/dbraw/zinc/15/71/04/821157104.db2.gz FQYMGFFZHQXGRY-UHFFFAOYSA-N 0 0 292.386 3.482 20 10 CGCDRN Cn1ccc2cc(-c3ccc4ccc(=O)n(C)c4c3)cnc21 ZINC001240845769 821366235 /nfs/dbraw/zinc/36/62/35/821366235.db2.gz LLGCRRYESWDGOC-UHFFFAOYSA-N 0 0 289.338 3.092 20 10 CGCDRN Nc1ccccc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001241079641 821544788 /nfs/dbraw/zinc/54/47/88/821544788.db2.gz WXBJJINPCPJULF-UHFFFAOYSA-N 0 0 294.329 3.285 20 10 CGCDRN CCOc1cnc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241354186 821755689 /nfs/dbraw/zinc/75/56/89/821755689.db2.gz BSIMEPAJNIQGGR-UHFFFAOYSA-N 0 0 281.359 3.169 20 10 CGCDRN c1ccc(N2CC=C(c3cccc4n[nH]nc43)CC2)cc1 ZINC001241355539 821757101 /nfs/dbraw/zinc/75/71/01/821757101.db2.gz USSGDIOVQXTLEV-UHFFFAOYSA-N 0 0 276.343 3.252 20 10 CGCDRN CCOc1ccc(-c2ccnc3c2ccn3C)cn1 ZINC001241706568 822090040 /nfs/dbraw/zinc/09/00/40/822090040.db2.gz VKTXOLQFKMTKFV-UHFFFAOYSA-N 0 0 253.305 3.034 20 10 CGCDRN Cc1cc2ncnc(-c3cccc4c3ccn4C)c2[nH]1 ZINC001241820278 822161862 /nfs/dbraw/zinc/16/18/62/822161862.db2.gz WPSNYJFLVIRHFG-UHFFFAOYSA-N 0 0 262.316 3.425 20 10 CGCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)CCC(=O)N2 ZINC001241821835 822163048 /nfs/dbraw/zinc/16/30/48/822163048.db2.gz KWHUDTHZHYVEGN-UHFFFAOYSA-N 0 0 277.327 3.125 20 10 CGCDRN Cc1cc(-c2nccn2C)c(-c2cncc(C3CC3)c2)nn1 ZINC001242195242 822906500 /nfs/dbraw/zinc/90/65/00/822906500.db2.gz DHAKIDPYBSKZMV-UHFFFAOYSA-N 0 0 291.358 3.125 20 10 CGCDRN COC(=O)c1cc2ccc(-c3cnn(C(C)C)c3)cc2n1C ZINC001242435744 822993733 /nfs/dbraw/zinc/99/37/33/822993733.db2.gz ODBYKENCKGEZEN-UHFFFAOYSA-N 0 0 297.358 3.409 20 10 CGCDRN C[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N)cc1 ZINC001338793394 936332980 /nfs/dbraw/zinc/33/29/80/936332980.db2.gz OLGDZHKXHOSZLM-ZDUSSCGKSA-N 0 0 295.386 3.098 20 10 CGCDRN CCC(CC)c1nnc(N(C)Cc2ccccc2O)n1C ZINC001341338922 936434446 /nfs/dbraw/zinc/43/44/46/936434446.db2.gz GZEQIFYOSKMKHE-UHFFFAOYSA-N 0 0 288.395 3.061 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC001342018618 936457860 /nfs/dbraw/zinc/45/78/60/936457860.db2.gz AYNNUADAFQMCOD-HYVNUMGLSA-N 0 0 286.419 3.492 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)c(C)o1 ZINC001342459167 936467542 /nfs/dbraw/zinc/46/75/42/936467542.db2.gz QXPYYPMHRZTWQO-UHFFFAOYSA-N 0 0 294.347 3.018 20 10 CGCDRN COc1nn(C)cc1N[C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001343497270 936503967 /nfs/dbraw/zinc/50/39/67/936503967.db2.gz XBZSPNYFQVSDQM-WDEREUQCSA-N 0 0 287.363 3.103 20 10 CGCDRN Nc1ccc(NC(=O)c2cnn(C3CCCCC3)c2)cc1 ZINC001345596167 936816022 /nfs/dbraw/zinc/81/60/22/936816022.db2.gz AKPLWVTYGLNVPA-UHFFFAOYSA-N 0 0 284.363 3.223 20 10 CGCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1ccccc1C ZINC001352311144 937040930 /nfs/dbraw/zinc/04/09/30/937040930.db2.gz FIVWTTGWZASUIA-SDNWHVSQSA-N 0 0 281.359 3.241 20 10 CGCDRN C/C(=C/C(=O)N1CCc2cccc(Cl)c21)c1cnccn1 ZINC001357251623 937168464 /nfs/dbraw/zinc/16/84/64/937168464.db2.gz CIJQQMBOLLQPEQ-LUAWRHEFSA-N 0 0 299.761 3.123 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ccns1 ZINC001473288337 937174811 /nfs/dbraw/zinc/17/48/11/937174811.db2.gz BYNXDIMVFSACBD-UHFFFAOYSA-N 0 0 274.389 3.495 20 10 CGCDRN CC[C@](C)([NH2+]Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001308869443 928549483 /nfs/dbraw/zinc/54/94/83/928549483.db2.gz LSTJRWBSTHCPAT-AWEZNQCLSA-N 0 0 255.308 3.339 20 10 CGCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)C(F)F ZINC000389953036 928796773 /nfs/dbraw/zinc/79/67/73/928796773.db2.gz XXPRNUAXCBCSEO-LBPRGKRZSA-N 0 0 268.351 3.420 20 10 CGCDRN Cc1ccc(C(=O)NCCCCC2CCCC2)c(O)c1O ZINC001444853706 937354027 /nfs/dbraw/zinc/35/40/27/937354027.db2.gz IHWHHQZKVCQEOE-UHFFFAOYSA-N 0 0 291.391 3.497 20 10 CGCDRN CCc1ccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001447166849 937366879 /nfs/dbraw/zinc/36/68/79/937366879.db2.gz DMGXKLCMKYVVLL-GFCCVEGCSA-N 0 0 299.370 3.080 20 10 CGCDRN Cc1cccc2c(C(=O)NCc3ccc(O)cc3O)coc21 ZINC001451772473 937391828 /nfs/dbraw/zinc/39/18/28/937391828.db2.gz WMGNNCQMXKTVNJ-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN COC1(C(=O)NCc2c(O)ccc3ccccc32)CCCC1 ZINC001456308311 937428824 /nfs/dbraw/zinc/42/88/24/937428824.db2.gz JAARHFLOPHJBSK-UHFFFAOYSA-N 0 0 299.370 3.121 20 10 CGCDRN CCCCc1cc(NCc2cccc(C)c2O)ncn1 ZINC001160770978 931984567 /nfs/dbraw/zinc/98/45/67/931984567.db2.gz JAGYHBZGSSKUGH-UHFFFAOYSA-N 0 0 271.364 3.445 20 10 CGCDRN CCOC(=O)[C@@H](NCc1ccc(Cl)cc1O)C(C)(C)C ZINC001462056476 937615108 /nfs/dbraw/zinc/61/51/08/937615108.db2.gz ZPDRPASVDVMMBB-CYBMUJFWSA-N 0 0 299.798 3.113 20 10 CGCDRN Nc1ccc(-n2cc(-c3ccc(Cl)s3)nn2)cc1 ZINC001254080858 932723775 /nfs/dbraw/zinc/72/37/75/932723775.db2.gz YRWCXOLSRLUWCA-UHFFFAOYSA-N 0 0 276.752 3.231 20 10 CGCDRN Cc1ccc(CNc2cccc(N3CCC3=O)c2)c(O)c1 ZINC001462173876 937622539 /nfs/dbraw/zinc/62/25/39/937622539.db2.gz DXJHAQKZGLTVKC-UHFFFAOYSA-N 0 0 282.343 3.049 20 10 CGCDRN COCC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@@H](C)C1 ZINC001462173289 937622625 /nfs/dbraw/zinc/62/26/25/937622625.db2.gz BOIDWXYUPZKUSI-BXUZGUMPSA-N 0 0 299.361 3.307 20 10 CGCDRN COc1ccc(N(C)C[C@@]2(C)CCCCO2)cc1OC ZINC001462384575 937636671 /nfs/dbraw/zinc/63/66/71/937636671.db2.gz PPWMVDZIFAWZJG-MRXNPFEDSA-N 0 0 279.380 3.099 20 10 CGCDRN CC1(C)CCC[C@](CO)([NH2+]Cc2cc(F)c(F)cc2[O-])C1 ZINC001462436837 937641313 /nfs/dbraw/zinc/64/13/13/937641313.db2.gz IZGJIJGBBANUPZ-INIZCTEOSA-N 0 0 299.361 3.091 20 10 CGCDRN O=[N+]([O-])c1cnc(NCc2cc(Cl)ccc2O)s1 ZINC001307160957 932923636 /nfs/dbraw/zinc/92/36/36/932923636.db2.gz NKZZRYWZORILLS-UHFFFAOYSA-N 0 0 285.712 3.022 20 10 CGCDRN Cc1ccc(O)c(CNc2ncnc3sccc32)c1 ZINC001307168839 932924455 /nfs/dbraw/zinc/92/44/55/932924455.db2.gz HUJYBYFDWUMXDJ-UHFFFAOYSA-N 0 0 271.345 3.317 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(OC)c1 ZINC001307597799 932974979 /nfs/dbraw/zinc/97/49/79/932974979.db2.gz LSWLECLKDNSNLW-NOLJZWGESA-N 0 0 291.391 3.098 20 10 CGCDRN Cc1coc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC001308547652 933129575 /nfs/dbraw/zinc/12/95/75/933129575.db2.gz CCGLJVZNIRDXFP-UHFFFAOYSA-N 0 0 251.713 3.237 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001308830657 933185477 /nfs/dbraw/zinc/18/54/77/933185477.db2.gz ZXLICERBGUEZLF-GXFFZTMASA-N 0 0 269.747 3.463 20 10 CGCDRN CCc1ccccc1NC(=O)NCc1c(O)cccc1F ZINC001310052566 933249857 /nfs/dbraw/zinc/24/98/57/933249857.db2.gz FPFVFRXHUUPWJJ-UHFFFAOYSA-N 0 0 288.322 3.415 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2c(O)cccc2F)[C@H]1C ZINC001311418755 933298272 /nfs/dbraw/zinc/29/82/72/933298272.db2.gz RJGYDQIJBKWNOV-SUNKGSAMSA-N 0 0 294.370 3.155 20 10 CGCDRN Cc1cccc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c1C ZINC001465038974 937697354 /nfs/dbraw/zinc/69/73/54/937697354.db2.gz XLLBGXXVHPCNCS-CYBMUJFWSA-N 0 0 299.370 3.135 20 10 CGCDRN CN(C)c1ccccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001465038703 937697491 /nfs/dbraw/zinc/69/74/91/937697491.db2.gz VRAWPPDLXQDROG-UHFFFAOYSA-N 0 0 297.358 3.006 20 10 CGCDRN C[C@@H](NC(=O)Nc1cccc(Cl)n1)c1ccccc1O ZINC001465801112 937703777 /nfs/dbraw/zinc/70/37/77/937703777.db2.gz HWYGYEXEWILNIO-SECBINFHSA-N 0 0 291.738 3.323 20 10 CGCDRN CC(C)CC[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001465947315 937705153 /nfs/dbraw/zinc/70/51/53/937705153.db2.gz AWOYILGGEWYZDK-CQSZACIVSA-N 0 0 291.391 3.068 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC001468510642 937729202 /nfs/dbraw/zinc/72/92/02/937729202.db2.gz VZXIDGWYRIRJBT-NWDGAFQWSA-N 0 0 277.364 3.044 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCCCC(C)C)c1 ZINC001468959264 937733822 /nfs/dbraw/zinc/73/38/22/937733822.db2.gz ONRQZYAWDVPDHG-UHFFFAOYSA-N 0 0 278.396 3.326 20 10 CGCDRN Cc1cc(NCc2ccc(N3CCCC3)cc2)no1 ZINC001320683158 934087461 /nfs/dbraw/zinc/08/74/61/934087461.db2.gz DIXNESSARWROQN-UHFFFAOYSA-N 0 0 257.337 3.195 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccc(F)c1 ZINC001322263742 934267562 /nfs/dbraw/zinc/26/75/62/934267562.db2.gz JCUSIBJFQSFDHI-UHFFFAOYSA-N 0 0 291.669 3.268 20 10 CGCDRN Cc1cc(C)cc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001471355638 937764753 /nfs/dbraw/zinc/76/47/53/937764753.db2.gz OSBPEEALFJXPIP-UHFFFAOYSA-N 0 0 267.328 3.165 20 10 CGCDRN O=C(NCc1cccc(O)c1O)c1ccc2sccc2c1 ZINC001471642091 937768199 /nfs/dbraw/zinc/76/81/99/937768199.db2.gz JXPLNEICKWCHFZ-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN CC(=O)Nc1ccc(N[C@@H](C)c2cc(C)ccc2O)nc1 ZINC001323828823 934429549 /nfs/dbraw/zinc/42/95/49/934429549.db2.gz DAFQUBLMZVBCSG-NSHDSACASA-N 0 0 285.347 3.227 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccoc1Cl ZINC001327167944 935038619 /nfs/dbraw/zinc/03/86/19/935038619.db2.gz ULYGIVCTONLBQZ-UHFFFAOYSA-N 0 0 298.085 3.375 20 10 CGCDRN CC[C@H](C)N(CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001327660809 935075730 /nfs/dbraw/zinc/07/57/30/935075730.db2.gz IXBPJGCVKWUQQL-LBPRGKRZSA-N 0 0 295.402 3.222 20 10 CGCDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC001328310694 935130130 /nfs/dbraw/zinc/13/01/30/935130130.db2.gz XQJWOVFAYQHCAM-HTQZYQBOSA-N 0 0 293.310 3.257 20 10 CGCDRN Cc1coc(C(=O)Nc2c3nonc3ccc2Cl)c1C ZINC001329520824 935223817 /nfs/dbraw/zinc/22/38/17/935223817.db2.gz YUNXFHWRAUSJFI-UHFFFAOYSA-N 0 0 291.694 3.338 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccccc1O ZINC001330895992 935331864 /nfs/dbraw/zinc/33/18/64/935331864.db2.gz HQVAXTBAQPUUNI-JULQROHOSA-N 0 0 295.329 3.251 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc(F)c1F ZINC001333368700 935529936 /nfs/dbraw/zinc/52/99/36/935529936.db2.gz LLMODHFZVQSBEA-KXUCPTDWSA-N 0 0 289.272 3.194 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@H](C)c1c(O)cccc1F ZINC001333466616 935538411 /nfs/dbraw/zinc/53/84/11/935538411.db2.gz MCGBSQWLGJOOGZ-MRVPVSSYSA-N 0 0 263.316 3.055 20 10 CGCDRN CCc1ccc(C(=O)NCc2ccc(O)cc2O)cc1CC ZINC001335016036 936126005 /nfs/dbraw/zinc/12/60/05/936126005.db2.gz CNKYNRGFIBJBBG-UHFFFAOYSA-N 0 0 299.370 3.153 20 10 CGCDRN C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001335290113 936137389 /nfs/dbraw/zinc/13/73/89/936137389.db2.gz SVJUXULMOVARIG-AWEZNQCLSA-N 0 0 299.393 3.119 20 10 CGCDRN CC1(NC(=O)NCc2ccc(N)cc2)CCC(F)(F)CC1 ZINC001336289885 936187077 /nfs/dbraw/zinc/18/70/77/936187077.db2.gz BXPSVUIJCXDGCH-UHFFFAOYSA-N 0 0 297.349 3.036 20 10 CGCDRN CC(C)[C@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001336716984 936209260 /nfs/dbraw/zinc/20/92/60/936209260.db2.gz ZOGWODOLUIVFDV-KRWDZBQOSA-N 0 0 297.402 3.465 20 10 CGCDRN C[C@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)CC1 ZINC001336878651 936224588 /nfs/dbraw/zinc/22/45/88/936224588.db2.gz DCKAZBNPBKPEDR-WFASDCNBSA-N 0 0 275.396 3.037 20 10 CGCDRN CC(C)(C)CC(C)(C)NC(=O)NCc1ccc(N)cc1 ZINC001337070336 936235623 /nfs/dbraw/zinc/23/56/23/936235623.db2.gz MYODHJXIDYREIT-UHFFFAOYSA-N 0 0 277.412 3.283 20 10 CGCDRN CC[C@@H](F)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001337134033 936238951 /nfs/dbraw/zinc/23/89/51/936238951.db2.gz VOPUXRVUKDAJHH-CQSZACIVSA-N 0 0 291.322 3.262 20 10 CGCDRN CC(=O)Nc1ccc(N[C@H](C)c2ccc(C)cc2O)nc1 ZINC001337798787 936290050 /nfs/dbraw/zinc/29/00/50/936290050.db2.gz GWUIXRRWBFQUBD-LLVKDONJSA-N 0 0 285.347 3.227 20 10 CGCDRN CC[C@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)O1 ZINC001474382458 937856315 /nfs/dbraw/zinc/85/63/15/937856315.db2.gz KFLHATMBQKDNJN-NEPJUHHUSA-N 0 0 283.799 3.353 20 10 CGCDRN CN(Cc1ccnn1CC1CCC1)c1ccc2c(c1)OCO2 ZINC001474432221 937859509 /nfs/dbraw/zinc/85/95/09/937859509.db2.gz ZYORNIGCLJYPKS-UHFFFAOYSA-N 0 0 299.374 3.048 20 10 CGCDRN Cc1ccc(CNc2ncccc2OC(C)C)c(O)c1 ZINC001474451288 937860444 /nfs/dbraw/zinc/86/04/44/937860444.db2.gz HKKJIHWMTUVGSS-UHFFFAOYSA-N 0 0 272.348 3.495 20 10 CGCDRN Oc1cc(Cl)ccc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001474546797 937866358 /nfs/dbraw/zinc/86/63/58/937866358.db2.gz PNECJYCGTHWHMC-HZPDHXFCSA-N 0 0 293.794 3.189 20 10 CGCDRN COc1cccc(NCc2cc(F)ccc2O)c1C ZINC001474627734 937871576 /nfs/dbraw/zinc/87/15/76/937871576.db2.gz VAHKMWIRQKNHSM-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN COc1ccc(N(C)C(=O)/C=C/c2scnc2C)cc1 ZINC001538202770 938116127 /nfs/dbraw/zinc/11/61/27/938116127.db2.gz CIELUXKKVOYUNB-CMDGGOBGSA-N 0 0 288.372 3.136 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1ccc(Cl)nc1 ZINC001538688243 938120150 /nfs/dbraw/zinc/12/01/50/938120150.db2.gz ZASBVQUFDIYOEP-FLIBITNWSA-N 0 0 287.750 3.196 20 10 CGCDRN CCc1cccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001556938139 938206760 /nfs/dbraw/zinc/20/67/60/938206760.db2.gz QCTODNUBMLTOGW-NTMALXAHSA-N 0 0 297.354 3.336 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1O ZINC001557967018 938212867 /nfs/dbraw/zinc/21/28/67/938212867.db2.gz UERJGLVRIFWMKX-MRVPVSSYSA-N 0 0 295.260 3.301 20 10 CGCDRN O=C(c1ccccc1C(F)F)N1Cc2cccc(O)c2C1 ZINC001558035874 938213327 /nfs/dbraw/zinc/21/33/27/938213327.db2.gz OTVFFOZUOCNEMP-UHFFFAOYSA-N 0 0 289.281 3.486 20 10 CGCDRN O=C(NCc1cc(O)ccc1O)[C@@H](F)CC1CCCCC1 ZINC001558175530 938213945 /nfs/dbraw/zinc/21/39/45/938213945.db2.gz URQDHNGSRJMCRC-AWEZNQCLSA-N 0 0 295.354 3.023 20 10 CGCDRN CCCC(=CC(=O)NCc1c(O)cccc1O)CCC ZINC001558533298 938216072 /nfs/dbraw/zinc/21/60/72/938216072.db2.gz BQXGMOBEXRZIHD-UHFFFAOYSA-N 0 0 277.364 3.241 20 10 CGCDRN CCN(C[C@@H](OC)C1CCC1)c1ccc(OC)cc1 ZINC001559621100 938231197 /nfs/dbraw/zinc/23/11/97/938231197.db2.gz LTZJARYZCVKRGF-MRXNPFEDSA-N 0 0 263.381 3.337 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001603106677 972180233 /nfs/dbraw/zinc/18/02/33/972180233.db2.gz BRFJSVUYTQIWRW-IUODEOHRSA-N 0 0 291.391 3.058 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC001603106674 972180293 /nfs/dbraw/zinc/18/02/93/972180293.db2.gz BOHPPBSEJVXLMB-WBMJQRKESA-N 0 0 291.391 3.201 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001117548429 957838679 /nfs/dbraw/zinc/83/86/79/957838679.db2.gz RGCAYULOEZTNOE-YUMQZZPRSA-N 0 0 281.743 3.497 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c(O)c1 ZINC001594361561 958454269 /nfs/dbraw/zinc/45/42/69/958454269.db2.gz WMCCXFKKECYYGI-ZDUSSCGKSA-N 0 0 279.380 3.070 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CC2CCC1CC2)c1ccccc1O ZINC001564806999 960690870 /nfs/dbraw/zinc/69/08/70/960690870.db2.gz IQOJOPVULPHYGP-LPXQKFACSA-N 0 0 288.391 3.331 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c(O)c1O ZINC001570370607 961952317 /nfs/dbraw/zinc/95/23/17/961952317.db2.gz GONCWKBNQDBAIW-DRZSPHRISA-N 0 0 291.391 3.351 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c(O)c1O ZINC001570370608 961954393 /nfs/dbraw/zinc/95/43/93/961954393.db2.gz GONCWKBNQDBAIW-KGYLQXTDSA-N 0 0 291.391 3.351 20 10 CGCDRN Nc1ccc(OC(=O)/C=C/c2cccc(F)c2)cc1 ZINC001580449146 962723807 /nfs/dbraw/zinc/72/38/07/962723807.db2.gz DKOAOYVRNQXGOJ-RUDMXATFSA-N 0 0 257.264 3.027 20 10 CGCDRN CCCCC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC001595683143 982169615 /nfs/dbraw/zinc/16/96/15/982169615.db2.gz KCUJKADCTLGGJT-LBPRGKRZSA-N 0 0 285.771 3.169 20 10 CGCDRN C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593208459 994226109 /nfs/dbraw/zinc/22/61/09/994226109.db2.gz CHRCWSVALGYJRG-LLVKDONJSA-N 0 0 289.375 3.464 20 10 CGCDRN C[C@@H]([NH2+]CCCc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593268541 994595598 /nfs/dbraw/zinc/59/55/98/994595598.db2.gz WGABWLLDGXYHLL-CYBMUJFWSA-N 0 0 299.370 3.374 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](CC(=O)[O-])C1)c1cc(Cl)ccc1O ZINC001593355921 994999560 /nfs/dbraw/zinc/99/95/60/994999560.db2.gz BLISTCGGPBPQJA-FOGDFJRCSA-N 0 0 297.782 3.340 20 10 CGCDRN CCCCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000052851217 345108662 /nfs/dbraw/zinc/10/86/62/345108662.db2.gz OIAGUJAVXBBTRN-UHFFFAOYSA-N 0 0 262.397 3.291 20 10 CGCDRN Cc1ccc(C)c(OCC(=O)N(C)Cc2ccccc2O)c1 ZINC000053914761 345126367 /nfs/dbraw/zinc/12/63/67/345126367.db2.gz SRNIAFZAYXBLHB-UHFFFAOYSA-N 0 0 299.370 3.046 20 10 CGCDRN CCCOc1ccc(CNc2cn(C)nc2CC)c(O)c1 ZINC000091070631 345803297 /nfs/dbraw/zinc/80/32/97/345803297.db2.gz HZSIYHNUKNHIAG-UHFFFAOYSA-N 0 0 289.379 3.089 20 10 CGCDRN CC(C)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000098074455 185682299 /nfs/dbraw/zinc/68/22/99/185682299.db2.gz GHHDHGDIXAGHLA-UHFFFAOYSA-N 0 0 299.370 3.194 20 10 CGCDRN C[C@H]([NH2+]CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000280913418 299295679 /nfs/dbraw/zinc/29/56/79/299295679.db2.gz DDRQAAJZLKHLOL-LURJTMIESA-N 0 0 252.116 3.319 20 10 CGCDRN CC[C@](C)(O)CSc1ncc(-c2ccccc2)n1C ZINC000123181102 370910028 /nfs/dbraw/zinc/91/00/28/370910028.db2.gz YCQPUWIUXMIVLC-HNNXBMFYSA-N 0 0 276.405 3.340 20 10 CGCDRN Nc1ccc(Nc2ccc3c(c2)OCCCO3)cc1 ZINC000034964438 368983378 /nfs/dbraw/zinc/98/33/78/368983378.db2.gz QWZGYPHZSLWQIO-UHFFFAOYSA-N 0 0 256.305 3.174 20 10 CGCDRN C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)c(F)c1[O-] ZINC000187923403 299406774 /nfs/dbraw/zinc/40/67/74/299406774.db2.gz CVDXBAFYZRLIPA-JOYOIKCWSA-N 0 0 297.301 3.038 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(F)cc1[O-] ZINC000133979679 371294448 /nfs/dbraw/zinc/29/44/48/371294448.db2.gz LTNQGNJOVJRGDS-HZMBPMFUSA-N 0 0 269.385 3.468 20 10 CGCDRN Cc1oc(C(C)C)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000286836927 371559923 /nfs/dbraw/zinc/55/99/23/371559923.db2.gz VLPBDVHRVGCXNK-UHFFFAOYSA-N 0 0 289.331 3.053 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1cccc(Cl)c1[O-] ZINC000287094500 371603350 /nfs/dbraw/zinc/60/33/50/371603350.db2.gz PPBRQUUUBMXCPA-CQSZACIVSA-N 0 0 293.798 3.328 20 10 CGCDRN C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000287432885 371655920 /nfs/dbraw/zinc/65/59/20/371655920.db2.gz SZDZLTZOFNMGMC-PELKAZGASA-N 0 0 259.271 3.384 20 10 CGCDRN COc1ccc(O)c([C@H](C)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000287437276 371655948 /nfs/dbraw/zinc/65/59/48/371655948.db2.gz UEPKLMCUYIQSDR-ISVAXAHUSA-N 0 0 289.297 3.392 20 10 CGCDRN COCCc1ccnc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000287678317 371692719 /nfs/dbraw/zinc/69/27/19/371692719.db2.gz WCRULPOFYWTIEJ-ZDUSSCGKSA-N 0 0 286.375 3.458 20 10 CGCDRN CCC[C@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287677558 371693193 /nfs/dbraw/zinc/69/31/93/371693193.db2.gz MNMASUNHSJIAPA-GWCFXTLKSA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1cccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1O ZINC000159730350 372173723 /nfs/dbraw/zinc/17/37/23/372173723.db2.gz PLXQODSIQYVYDM-KRWDZBQOSA-N 0 0 284.403 3.093 20 10 CGCDRN CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000293563057 372411690 /nfs/dbraw/zinc/41/16/90/372411690.db2.gz ARBIPIFSPRAYJL-MRVPVSSYSA-N 0 0 296.317 3.380 20 10 CGCDRN CC1(C)CCC[C@]1(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000293582125 372417165 /nfs/dbraw/zinc/41/71/65/372417165.db2.gz HVTUSQNSRLJSPH-HNNXBMFYSA-N 0 0 283.799 3.076 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000168864352 372621314 /nfs/dbraw/zinc/62/13/14/372621314.db2.gz RTXWIJMGWFSOGV-RYUDHWBXSA-N 0 0 253.411 3.493 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168864776 372621491 /nfs/dbraw/zinc/62/14/91/372621491.db2.gz STAWEJQPQKZGGD-KOLCDFICSA-N 0 0 257.374 3.324 20 10 CGCDRN CC(C)OCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000168958782 372622864 /nfs/dbraw/zinc/62/28/64/372622864.db2.gz KPVBIRKUCDBBQB-UHFFFAOYSA-N 0 0 278.179 3.214 20 10 CGCDRN C[C@@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)ccc1O ZINC000295861577 372937747 /nfs/dbraw/zinc/93/77/47/372937747.db2.gz BOLKIZUHTGKXFW-SNVBAGLBSA-N 0 0 271.788 3.105 20 10 CGCDRN C[C@]1(F)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295998491 372988927 /nfs/dbraw/zinc/98/89/27/372988927.db2.gz KUMCWZKKNVNRKE-ZDUSSCGKSA-N 0 0 257.736 3.370 20 10 CGCDRN CC(C)c1nnc(CN[C@H](C)c2cc(Cl)ccc2O)[nH]1 ZINC000296440475 373135311 /nfs/dbraw/zinc/13/53/11/373135311.db2.gz MGBDPCUKEIMOIQ-SECBINFHSA-N 0 0 294.786 3.138 20 10 CGCDRN CC(C)(C(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC000297359884 373268323 /nfs/dbraw/zinc/26/83/23/373268323.db2.gz ZVMISFNVBPLGCW-UHFFFAOYSA-N 0 0 260.381 3.101 20 10 CGCDRN CS[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298969533 373440096 /nfs/dbraw/zinc/44/00/96/373440096.db2.gz IAAUTDDWFSUIIU-CYBMUJFWSA-N 0 0 294.464 3.241 20 10 CGCDRN COc1ccc(OCCSc2nccs2)cc1 ZINC000299068851 373456683 /nfs/dbraw/zinc/45/66/83/373456683.db2.gz WPHGXAWOLDUKRI-UHFFFAOYSA-N 0 0 267.375 3.323 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1OC ZINC000180310543 373988120 /nfs/dbraw/zinc/98/81/20/373988120.db2.gz CEFPVEQPPKEKEV-NEPJUHHUSA-N 0 0 279.380 3.030 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(CC(C)C)o2)cc1C ZINC000181774978 374170059 /nfs/dbraw/zinc/17/00/59/374170059.db2.gz KOJBJLIIQQZSLS-UHFFFAOYSA-N 0 0 275.352 3.203 20 10 CGCDRN Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183522070 374422471 /nfs/dbraw/zinc/42/24/71/374422471.db2.gz OBYMUQNQBOMJQN-GHMZBOCLSA-N 0 0 274.364 3.279 20 10 CGCDRN CCCOc1ccc(CNc2nocc2C)c(O)c1 ZINC000184043150 374486123 /nfs/dbraw/zinc/48/61/23/374486123.db2.gz FNHGAXYHQVFAQC-UHFFFAOYSA-N 0 0 262.309 3.090 20 10 CGCDRN CCC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000185414612 374659891 /nfs/dbraw/zinc/65/98/91/374659891.db2.gz NHIBRZGCPAXZKW-QSYFUGGGSA-N 0 0 289.375 3.292 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C=CCCC1 ZINC000472051039 375009930 /nfs/dbraw/zinc/00/99/30/375009930.db2.gz CYFMHGKPNUXGHT-CQSZACIVSA-N 0 0 297.402 3.395 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C)(C)C1 ZINC000472231648 375011802 /nfs/dbraw/zinc/01/18/02/375011802.db2.gz UJXXRERAOOOXFC-UHFFFAOYSA-N 0 0 299.418 3.428 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(F)c(F)c1[O-] ZINC000187702967 375077003 /nfs/dbraw/zinc/07/70/03/375077003.db2.gz OXGJECJHGWIKTR-JTQLQIEISA-N 0 0 293.313 3.014 20 10 CGCDRN CSCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187726383 375081795 /nfs/dbraw/zinc/08/17/95/375081795.db2.gz XUCQNAMFJSMAMG-QMMMGPOBSA-N 0 0 261.337 3.074 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N2CCc3c2cccc3F)s1 ZINC000492611194 375446894 /nfs/dbraw/zinc/44/68/94/375446894.db2.gz IEKVEYCJDJLCRU-WAYWQWQTSA-N 0 0 288.347 3.193 20 10 CGCDRN C[C@@H]1CCN(C(=O)/C=C\c2cccnc2)c2c(O)cccc21 ZINC000492612481 375447286 /nfs/dbraw/zinc/44/72/86/375447286.db2.gz AQBDLKSJEYOYCV-MEJMFZKBSA-N 0 0 294.354 3.341 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000266985285 378030884 /nfs/dbraw/zinc/03/08/84/378030884.db2.gz PXUSABZUXBVYGS-KGLIPLIRSA-N 0 0 298.386 3.384 20 10 CGCDRN COc1ccc(N(Cc2cncn2C)[C@@H](C)C2CC2)cc1 ZINC000267663617 378043749 /nfs/dbraw/zinc/04/37/49/378043749.db2.gz ZYJCXDPZLJBSLP-ZDUSSCGKSA-N 0 0 285.391 3.234 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)c2ccccc2F)cc1F ZINC000268196970 378050711 /nfs/dbraw/zinc/05/07/11/378050711.db2.gz QSIUCTNRZWMKHE-OAHLLOKOSA-N 0 0 293.313 3.143 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(F)cc1[O-] ZINC000273361008 378742609 /nfs/dbraw/zinc/74/26/09/378742609.db2.gz AGYPKMVOQHXNNR-GFCCVEGCSA-N 0 0 288.366 3.448 20 10 CGCDRN Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)cnn1C ZINC000273389062 378743027 /nfs/dbraw/zinc/74/30/27/378743027.db2.gz KHBDWNRUEUDIGO-OLZOCXBDSA-N 0 0 287.407 3.463 20 10 CGCDRN CCC(CC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273405833 378746531 /nfs/dbraw/zinc/74/65/31/378746531.db2.gz OILMNZIEJDLFGY-SECBINFHSA-N 0 0 252.314 3.140 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCCO1 ZINC000273469413 378749009 /nfs/dbraw/zinc/74/90/09/378749009.db2.gz JJCNVGVABFCDCI-RWSFTLGLSA-N 0 0 267.344 3.140 20 10 CGCDRN CC(C)(C)c1cnc(SCC(=O)[C@H]2CCOC2)s1 ZINC000273888657 378760439 /nfs/dbraw/zinc/76/04/39/378760439.db2.gz MPJHZBCVIKWIMQ-VIFPVBQESA-N 0 0 285.434 3.138 20 10 CGCDRN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1O)c1ncn(C)n1 ZINC000275636712 378956732 /nfs/dbraw/zinc/95/67/32/378956732.db2.gz BZTFVZHGXJAQDS-NWDGAFQWSA-N 0 0 296.374 3.086 20 10 CGCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1c(F)cncc1F ZINC000285455552 380148278 /nfs/dbraw/zinc/14/82/78/380148278.db2.gz JJDNWXONUBRDNB-SNVBAGLBSA-N 0 0 290.313 3.146 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(F)cc1[O-] ZINC000285545491 380150193 /nfs/dbraw/zinc/15/01/93/380150193.db2.gz GEECOYHHNPESEZ-AWEZNQCLSA-N 0 0 290.338 3.176 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000285518118 380151057 /nfs/dbraw/zinc/15/10/57/380151057.db2.gz BAYBGSMUGNCNBI-JSGCOSHPSA-N 0 0 267.344 3.141 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186170641 262312362 /nfs/dbraw/zinc/31/23/62/262312362.db2.gz PDFIQUZNZGWXKB-CYBMUJFWSA-N 0 0 265.397 3.150 20 10 CGCDRN C[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104818364 392280690 /nfs/dbraw/zinc/28/06/90/392280690.db2.gz AYKDMRNIYAZBNE-XJKSGUPXSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000124513195 392434945 /nfs/dbraw/zinc/43/49/45/392434945.db2.gz MVGUCQIIMYTAFB-LBPRGKRZSA-N 0 0 273.298 3.475 20 10 CGCDRN CCC(CC)(CC)CNC(=O)Cc1ccc(N)cc1 ZINC000163083727 392600935 /nfs/dbraw/zinc/60/09/35/392600935.db2.gz JBYADLPANQUGOB-UHFFFAOYSA-N 0 0 262.397 3.144 20 10 CGCDRN CC(C)c1nc(COc2ccc(N3CCCC3)cc2)no1 ZINC000178194245 392674454 /nfs/dbraw/zinc/67/44/54/392674454.db2.gz NKSQUUKRXAWKIE-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN C[C@@H]([NH2+]CCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000194226378 392909181 /nfs/dbraw/zinc/90/91/81/392909181.db2.gz VLEYWIMLEVKBCU-MRVPVSSYSA-N 0 0 278.179 3.122 20 10 CGCDRN COC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CCCC1 ZINC000297264084 292122301 /nfs/dbraw/zinc/12/23/01/292122301.db2.gz KGGIZEKBHLAMML-JTQLQIEISA-N 0 0 285.334 3.280 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000062051226 397637456 /nfs/dbraw/zinc/63/74/56/397637456.db2.gz YQMIZDYPHQVGAH-ZDUSSCGKSA-N 0 0 256.349 3.255 20 10 CGCDRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N)cc1 ZINC000022216439 171376060 /nfs/dbraw/zinc/37/60/60/171376060.db2.gz PGMLSVFPRFKVGY-JTQLQIEISA-N 0 0 290.750 3.328 20 10 CGCDRN Cc1cncc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302332069 227837872 /nfs/dbraw/zinc/83/78/72/227837872.db2.gz AALMTPHIZMARBH-LBPRGKRZSA-N 0 0 256.353 3.024 20 10 CGCDRN CCC1CCC(N(C)C(=O)c2cccc(O)c2O)CC1 ZINC000126292435 260349291 /nfs/dbraw/zinc/34/92/91/260349291.db2.gz CFVHWIYXUVGWDU-UHFFFAOYSA-N 0 0 277.364 3.139 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1ccccc1O ZINC000156057736 261113426 /nfs/dbraw/zinc/11/34/26/261113426.db2.gz NBLYQJJSUAIGST-LZWOXQAQSA-N 0 0 263.381 3.391 20 10 CGCDRN CCC[C@H]1[C@H](C)CCCN1C(=O)Cc1ccc(N)cc1 ZINC000161685608 261256486 /nfs/dbraw/zinc/25/64/86/261256486.db2.gz PMIHYVLPPBTSNJ-CJNGLKHVSA-N 0 0 274.408 3.239 20 10 CGCDRN COC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164098295 261339725 /nfs/dbraw/zinc/33/97/25/261339725.db2.gz XMLKEHPDGVLBOE-ZETCQYMHSA-N 0 0 259.396 3.094 20 10 CGCDRN CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000179482787 261789904 /nfs/dbraw/zinc/78/99/04/261789904.db2.gz WVFAZRJKNNHKBS-ZYHUDNBSSA-N 0 0 291.391 3.445 20 10 CGCDRN COc1cccc(CNC(=O)c2csc(C)c2C)c1O ZINC000180420024 261859532 /nfs/dbraw/zinc/85/95/32/261859532.db2.gz QWNFEHPYAFYCRQ-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN CCOCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185053035 262039277 /nfs/dbraw/zinc/03/92/77/262039277.db2.gz GAYJXSMGWNVUKN-QMMMGPOBSA-N 0 0 278.179 3.386 20 10 CGCDRN C[C@H]([NH2+]CCSC(F)(F)F)c1ccc(F)cc1[O-] ZINC000185086334 262040247 /nfs/dbraw/zinc/04/02/47/262040247.db2.gz XYKMXNFYKBXCOR-ZETCQYMHSA-N 0 0 283.290 3.435 20 10 CGCDRN CCN(C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185168414 262044463 /nfs/dbraw/zinc/04/44/63/262044463.db2.gz UNVVWCLSDJDFOX-SECBINFHSA-N 0 0 291.222 3.301 20 10 CGCDRN C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185500528 262056829 /nfs/dbraw/zinc/05/68/29/262056829.db2.gz RZXGLAQKDVRDPB-YUMQZZPRSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(F)cc1[O-] ZINC000186140656 262081842 /nfs/dbraw/zinc/08/18/42/262081842.db2.gz BHDAHCMDUXISLF-GFCCVEGCSA-N 0 0 274.339 3.210 20 10 CGCDRN CC(C)C[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186386686 262091180 /nfs/dbraw/zinc/09/11/80/262091180.db2.gz ZKJBAHQAVKPQEJ-STQMWFEESA-N 0 0 293.407 3.217 20 10 CGCDRN C/C=C(\C=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)CC ZINC000186424018 262092490 /nfs/dbraw/zinc/09/24/90/262092490.db2.gz QOFKHLAIKGCYSH-UENPFCHNSA-N 0 0 289.375 3.058 20 10 CGCDRN CCCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186436402 262093489 /nfs/dbraw/zinc/09/34/89/262093489.db2.gz HLGHCDZZEJEFGO-LBPRGKRZSA-N 0 0 279.380 3.115 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186170625 262312472 /nfs/dbraw/zinc/31/24/72/262312472.db2.gz PDFIQUZNZGWXKB-ZDUSSCGKSA-N 0 0 265.397 3.150 20 10 CGCDRN Cc1cc(O)c(CN[C@H](C2CC2)C(F)(F)F)cc1C ZINC000288481020 263104452 /nfs/dbraw/zinc/10/44/52/263104452.db2.gz PTIZOAIQNGZBGP-CYBMUJFWSA-N 0 0 273.298 3.440 20 10 CGCDRN COCCn1c(C)c(C)c2cc(C(=O)NC(C)C)ccc21 ZINC000343264533 264268629 /nfs/dbraw/zinc/26/86/29/264268629.db2.gz WGCIXWMOALOBKN-UHFFFAOYSA-N 0 0 288.391 3.043 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000296249106 287650230 /nfs/dbraw/zinc/65/02/30/287650230.db2.gz CUPQYFCMWLYQSC-ZIBATOQPSA-N 0 0 296.367 3.012 20 10 CGCDRN CC[C@H]([NH2+]C[C@](C)(O)CC)c1cccc(Cl)c1[O-] ZINC000286860082 288050340 /nfs/dbraw/zinc/05/03/40/288050340.db2.gz AFFNEJJCTLUURR-GXTWGEPZSA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C\c2cncc(F)c2)c1 ZINC000255758869 327012942 /nfs/dbraw/zinc/01/29/42/327012942.db2.gz HMYYZZUCGAGWEN-SREVYHEPSA-N 0 0 270.307 3.205 20 10 CGCDRN Oc1ccc(F)cc1CN1CCC[C@@H]1c1nccs1 ZINC000378492627 329052625 /nfs/dbraw/zinc/05/26/25/329052625.db2.gz HIELIZQSIDYXRH-GFCCVEGCSA-N 0 0 278.352 3.325 20 10 CGCDRN CO[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000378633454 329057158 /nfs/dbraw/zinc/05/71/58/329057158.db2.gz OJIUHHCPXZHOGV-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000262677804 330026336 /nfs/dbraw/zinc/02/63/36/330026336.db2.gz UPYYNKKREJXJJJ-UHFFFAOYSA-N 0 0 298.386 3.453 20 10 CGCDRN COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000164933963 331305480 /nfs/dbraw/zinc/30/54/80/331305480.db2.gz FRDZBSFSLKQREI-LLVKDONJSA-N 0 0 275.323 3.391 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)C(C)C ZINC000471226311 331503954 /nfs/dbraw/zinc/50/39/54/331503954.db2.gz IIKDANFDRJTCCI-LBPRGKRZSA-N 0 0 272.392 3.395 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC1(C)C ZINC000471924581 331524371 /nfs/dbraw/zinc/52/43/71/331524371.db2.gz VTWCJCXHVQSVRC-ZDUSSCGKSA-N 0 0 299.418 3.332 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1nc2ccccc2[nH]1 ZINC000490087853 332080738 /nfs/dbraw/zinc/08/07/38/332080738.db2.gz OIKHOGRRCFJUEZ-UHFFFAOYSA-N 0 0 290.370 3.397 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc(Cl)cn1 ZINC000492418074 332396636 /nfs/dbraw/zinc/39/66/36/332396636.db2.gz PZJCXOFPTRKLPP-UTCJRWHESA-N 0 0 287.750 3.115 20 10 CGCDRN COCCOc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000226580739 333265330 /nfs/dbraw/zinc/26/53/30/333265330.db2.gz VWYULSFHXVPGDZ-UHFFFAOYSA-N 0 0 291.322 3.169 20 10 CGCDRN CC1(C)CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000226611666 333266028 /nfs/dbraw/zinc/26/60/28/333266028.db2.gz PHKXCXQMEDBDOI-CYBMUJFWSA-N 0 0 261.365 3.225 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000130099905 333814084 /nfs/dbraw/zinc/81/40/84/333814084.db2.gz BLNXIMNWQAQSTR-MMQHEFTJSA-N 0 0 264.328 3.245 20 10 CGCDRN Cc1cnc(N(C)Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000301830065 500992551 /nfs/dbraw/zinc/99/25/51/500992551.db2.gz PMDPDHFFSSSIIJ-UHFFFAOYSA-N 0 0 296.418 3.412 20 10 CGCDRN CC(C)C[C@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000069386296 519299638 /nfs/dbraw/zinc/29/96/38/519299638.db2.gz UJLQISSJGJOAKV-ZDUSSCGKSA-N 0 0 263.381 3.423 20 10 CGCDRN CC1CCC(=CC(=O)NCc2ccc(N)cc2)CC1 ZINC000297342199 520909872 /nfs/dbraw/zinc/90/98/72/520909872.db2.gz YLUGDYNHKMLAAH-UHFFFAOYSA-N 0 0 258.365 3.022 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1[nH]ccc1C ZINC000280696620 521319722 /nfs/dbraw/zinc/31/97/22/521319722.db2.gz GGJJIBUOHOGFRW-UHFFFAOYSA-N 0 0 285.391 3.051 20 10 CGCDRN CCCN(Cc1nnc(C(C)C)o1)Cc1ccccc1O ZINC000076293254 521696198 /nfs/dbraw/zinc/69/61/98/521696198.db2.gz BVVKRVRMBSATSY-UHFFFAOYSA-N 0 0 289.379 3.311 20 10 CGCDRN CCc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000042879324 521769495 /nfs/dbraw/zinc/76/94/95/521769495.db2.gz MKMFZCQDTSDUQZ-UHFFFAOYSA-N 0 0 271.316 3.295 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2=CCCCC2)cc1 ZINC000275647993 522164249 /nfs/dbraw/zinc/16/42/49/522164249.db2.gz BPGNVKIFKZPZAY-UHFFFAOYSA-N 0 0 272.392 3.211 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CSC(C)(C)C)cc1F ZINC000072048292 522191738 /nfs/dbraw/zinc/19/17/38/522191738.db2.gz UYEVIUQCLRXSHN-UHFFFAOYSA-N 0 0 298.427 3.040 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)C)cc1F ZINC000263727308 522194811 /nfs/dbraw/zinc/19/48/11/522194811.db2.gz FKXFDQQQRATYMO-UHFFFAOYSA-N 0 0 295.402 3.079 20 10 CGCDRN CC[C@@H](CSC)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000290289146 522602794 /nfs/dbraw/zinc/60/27/94/522602794.db2.gz AEJPKFPZWAQWEK-NSHDSACASA-N 0 0 257.374 3.105 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(OC)c1O ZINC000280042615 523034982 /nfs/dbraw/zinc/03/49/82/523034982.db2.gz VPLNHSLWYHKVHY-JSGCOSHPSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(N(Cc2nc(C)no2)[C@@H](C)C2CC2)cc1 ZINC000109773926 524370217 /nfs/dbraw/zinc/37/02/17/524370217.db2.gz LTZCUOOIUPVZGP-NSHDSACASA-N 0 0 287.363 3.192 20 10 CGCDRN Cc1cccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)c1C ZINC000237639726 524821357 /nfs/dbraw/zinc/82/13/57/524821357.db2.gz HKADIYUOGUMLSF-CQSZACIVSA-N 0 0 282.387 3.306 20 10 CGCDRN Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 ZINC000237790201 524845523 /nfs/dbraw/zinc/84/55/23/524845523.db2.gz DTIQFELQTBJUJE-SFHVURJKSA-N 0 0 294.398 3.483 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000290152669 525523534 /nfs/dbraw/zinc/52/35/34/525523534.db2.gz CRZWWJCYJMOKQX-NVGCLXPQSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC000290152677 525608930 /nfs/dbraw/zinc/60/89/30/525608930.db2.gz CRZWWJCYJMOKQX-XWCIJXRUSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@H](Nc1ccc(CCO)cc1)c1ccc(N(C)C)cc1 ZINC000040738755 525650710 /nfs/dbraw/zinc/65/07/10/525650710.db2.gz QEFKEMIIYCZODN-AWEZNQCLSA-N 0 0 284.403 3.461 20 10 CGCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1ccccc1O ZINC000269639754 525878965 /nfs/dbraw/zinc/87/89/65/525878965.db2.gz XCFJGAOVEAPZPL-OLZOCXBDSA-N 0 0 287.384 3.182 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000289730022 526328545 /nfs/dbraw/zinc/32/85/45/526328545.db2.gz HUZBZBYPIARZNV-OAHLLOKOSA-N 0 0 272.323 3.263 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(CCF)CC1 ZINC000289613614 526680917 /nfs/dbraw/zinc/68/09/17/526680917.db2.gz SHIQCZVVKRKJPE-UHFFFAOYSA-N 0 0 290.382 3.043 20 10 CGCDRN O=C(CSc1nccs1)NC1CCCCCCC1 ZINC000047240596 527071987 /nfs/dbraw/zinc/07/19/87/527071987.db2.gz PIMQIFCUAPKASU-UHFFFAOYSA-N 0 0 284.450 3.464 20 10 CGCDRN Cc1ncc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000276979759 527275602 /nfs/dbraw/zinc/27/56/02/527275602.db2.gz VRCXUYQZUMGIGI-ZETCQYMHSA-N 0 0 284.331 3.286 20 10 CGCDRN CC(C)=CCC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000297084491 527421442 /nfs/dbraw/zinc/42/14/42/527421442.db2.gz YTNKZUDJHSBORR-FROQITRMSA-N 0 0 289.375 3.362 20 10 CGCDRN O[C@@H](CCSc1nccs1)c1ccccc1 ZINC000287001700 527644330 /nfs/dbraw/zinc/64/43/30/527644330.db2.gz FBQZQEFDXUZFMY-NSHDSACASA-N 0 0 251.376 3.359 20 10 CGCDRN Cc1nn(C)c(Cl)c1CSc1nccs1 ZINC000040676417 527669134 /nfs/dbraw/zinc/66/91/34/527669134.db2.gz UBTGMQGMGTVPIS-UHFFFAOYSA-N 0 0 259.787 3.131 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000727736121 571766212 /nfs/dbraw/zinc/76/62/12/571766212.db2.gz HRRNIGQLYUAGGV-BDJLRTHQSA-N 0 0 268.360 3.232 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000728219124 571795547 /nfs/dbraw/zinc/79/55/47/571795547.db2.gz INUFUQFIHRKLNO-UHFFFAOYSA-N 0 0 262.397 3.147 20 10 CGCDRN CN(C)c1ccc(CNC(=O)NC2(C)CCCC2)cc1F ZINC000728748437 571817037 /nfs/dbraw/zinc/81/70/37/571817037.db2.gz VLTHKEKIXIASCW-UHFFFAOYSA-N 0 0 293.386 3.024 20 10 CGCDRN Cc1cc(C(=O)Cn2cccn2)c(C)n1-c1cccc(C)c1 ZINC000742359471 572349924 /nfs/dbraw/zinc/34/99/24/572349924.db2.gz ZHDXVLBLWWWEKL-UHFFFAOYSA-N 0 0 293.370 3.482 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)C12CCC2 ZINC000742374356 572352015 /nfs/dbraw/zinc/35/20/15/572352015.db2.gz VVZSJROZJITMNH-HZPDHXFCSA-N 0 0 275.392 3.138 20 10 CGCDRN CCOc1ccc(N(C)CC(F)(F)C(F)F)cc1 ZINC000739924750 572426778 /nfs/dbraw/zinc/42/67/78/572426778.db2.gz WZRHMOFTADNXOQ-UHFFFAOYSA-N 0 0 265.250 3.422 20 10 CGCDRN C[C@H](CCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731872311 572431224 /nfs/dbraw/zinc/43/12/24/572431224.db2.gz DDOFDAFBPZNGAZ-LLVKDONJSA-N 0 0 275.373 3.377 20 10 CGCDRN CCc1nc(NC(=O)C2=CC(=O)CS2)sc1C ZINC000731872046 572431447 /nfs/dbraw/zinc/43/14/47/572431447.db2.gz UZNCQEQUZVAUCF-UHFFFAOYSA-N 0 0 268.363 3.033 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1Cc1ccccc1 ZINC000732265655 572454895 /nfs/dbraw/zinc/45/48/95/572454895.db2.gz FFLMDJZXBWBPES-CYBMUJFWSA-N 0 0 287.384 3.301 20 10 CGCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000732267768 572456092 /nfs/dbraw/zinc/45/60/92/572456092.db2.gz VHELCHXJFWGSRU-MWLCHTKSSA-N 0 0 253.367 3.104 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000732275741 572456722 /nfs/dbraw/zinc/45/67/22/572456722.db2.gz ALWLXTOTXACFHV-ZDUSSCGKSA-N 0 0 289.356 3.137 20 10 CGCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)C2=CC(=O)CS2)o1 ZINC000732273855 572457197 /nfs/dbraw/zinc/45/71/97/572457197.db2.gz DRXWOIKWODFZDG-GZMMTYOYSA-N 0 0 277.345 3.100 20 10 CGCDRN CCCc1nc(COC(=O)C2=CC(=O)CS2)cs1 ZINC000732353815 572461485 /nfs/dbraw/zinc/46/14/85/572461485.db2.gz WOSAEYOIAMWFLI-UHFFFAOYSA-N 0 0 283.374 3.220 20 10 CGCDRN CCc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)ncn1 ZINC000733188001 572540627 /nfs/dbraw/zinc/54/06/27/572540627.db2.gz GMZRLWSFJHZEQF-UHFFFAOYSA-N 0 0 296.418 3.274 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)C(C)(C)C ZINC000734402807 572652701 /nfs/dbraw/zinc/65/27/01/572652701.db2.gz QCTWAWGOXXJYCC-CYBMUJFWSA-N 0 0 276.424 3.359 20 10 CGCDRN C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC000734513903 572663043 /nfs/dbraw/zinc/66/30/43/572663043.db2.gz ZTBNLPJGJMQCIY-ZDUSSCGKSA-N 0 0 291.439 3.234 20 10 CGCDRN C[C@@H]1CCC[C@H](C)N(C(=O)C2=CC(=O)CS2)C1 ZINC000743603570 572673518 /nfs/dbraw/zinc/67/35/18/572673518.db2.gz DMXWJKJIYXSPMW-ZJUUUORDSA-N 0 0 253.367 3.104 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC1(C)C ZINC000734687011 572674922 /nfs/dbraw/zinc/67/49/22/572674922.db2.gz BLVFERWKHNFKRE-UHFFFAOYSA-N 0 0 289.423 3.145 20 10 CGCDRN CCN(Cc1ccn(C(C)C)n1)c1ccc(OC)cc1 ZINC000735078667 572700117 /nfs/dbraw/zinc/70/01/17/572700117.db2.gz QCUGBTYBCSKZAF-UHFFFAOYSA-N 0 0 273.380 3.499 20 10 CGCDRN Cc1cc(C(=O)OCCC2CC2)c(C)n1-c1ccccn1 ZINC000744281151 572731864 /nfs/dbraw/zinc/73/18/64/572731864.db2.gz IAQNFAADOAAQIO-UHFFFAOYSA-N 0 0 284.359 3.446 20 10 CGCDRN Fc1ccc(NC(=S)NNc2c(F)cccc2F)cc1 ZINC000735625982 572735266 /nfs/dbraw/zinc/73/52/66/572735266.db2.gz LGWURHNQFZETSY-UHFFFAOYSA-N 0 0 297.305 3.417 20 10 CGCDRN C[C@H]1Cc2ccccc2[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000736680086 572804744 /nfs/dbraw/zinc/80/47/44/572804744.db2.gz YGUCYWANESHXKA-XPTSAGLGSA-N 0 0 273.357 3.117 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2occc2s1 ZINC000736674490 572804942 /nfs/dbraw/zinc/80/49/42/572804942.db2.gz WVWNNHJIXBMGSD-UHFFFAOYSA-N 0 0 287.340 3.472 20 10 CGCDRN C[C@@H]1C[C@H](C)[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736754838 572809078 /nfs/dbraw/zinc/80/90/78/572809078.db2.gz GZBZQYHKOOUEGD-NEPJUHHUSA-N 0 0 299.370 3.474 20 10 CGCDRN CCN(CC(=O)Nc1ccccc1)c1ccc(OC)cc1 ZINC000746108797 572853507 /nfs/dbraw/zinc/85/35/07/572853507.db2.gz CQZXOTSWRDASDG-UHFFFAOYSA-N 0 0 284.359 3.160 20 10 CGCDRN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N)cc1 ZINC000746479278 572873591 /nfs/dbraw/zinc/87/35/91/572873591.db2.gz NHLULABFAMNWNJ-UHFFFAOYSA-N 0 0 293.326 3.485 20 10 CGCDRN CCC(CC)[C@H](CC[NH2+]Cc1cccc(OC)c1O)OC ZINC000746762725 572894724 /nfs/dbraw/zinc/89/47/24/572894724.db2.gz YPYSGNBYDRKQJR-HNNXBMFYSA-N 0 0 295.423 3.332 20 10 CGCDRN C[C@H](Cc1cccc(F)c1)C(=O)NCc1ccccc1O ZINC000748346533 572974747 /nfs/dbraw/zinc/97/47/47/572974747.db2.gz KOAZATCJFQOSLY-GFCCVEGCSA-N 0 0 287.334 3.026 20 10 CGCDRN CCC[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000748609791 572981501 /nfs/dbraw/zinc/98/15/01/572981501.db2.gz XISBZLJDHXUKKV-CYBMUJFWSA-N 0 0 262.397 3.195 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)C1CCCC1 ZINC000749530232 573016884 /nfs/dbraw/zinc/01/68/84/573016884.db2.gz OOWFSPDFGPDTOB-GFCCVEGCSA-N 0 0 261.365 3.177 20 10 CGCDRN C[C@@H]1CCC[C@H](CC(=O)NCc2ccccc2O)C1 ZINC000749942190 573064335 /nfs/dbraw/zinc/06/43/35/573064335.db2.gz SXEMRTDCRVSEPN-OLZOCXBDSA-N 0 0 261.365 3.225 20 10 CGCDRN CC1(C)CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000828069516 600717430 /nfs/dbraw/zinc/71/74/30/600717430.db2.gz ZRASRAHLLXFPEH-UHFFFAOYSA-N 0 0 299.370 3.476 20 10 CGCDRN C[N@H+](Cc1cc(Cl)ccc1O)C1(C(=O)[O-])CCCCC1 ZINC000380487660 604641293 /nfs/dbraw/zinc/64/12/93/604641293.db2.gz BLCVQBHNWNGGDW-UHFFFAOYSA-N 0 0 297.782 3.265 20 10 CGCDRN CC(C)CCC(=O)NCc1cccc(Cl)c1O ZINC000890758481 617814843 /nfs/dbraw/zinc/81/48/43/617814843.db2.gz ZZUZXWRVQISWJL-UHFFFAOYSA-N 0 0 255.745 3.098 20 10 CGCDRN CN(Cc1ccc(Cl)nc1)c1ccc2c(c1)OCO2 ZINC000121249065 617612052 /nfs/dbraw/zinc/61/20/52/617612052.db2.gz ZDKIFLJYTUKFOW-UHFFFAOYSA-N 0 0 276.723 3.100 20 10 CGCDRN CC(C)C[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890759405 617815306 /nfs/dbraw/zinc/81/53/06/617815306.db2.gz KVKKTVRGPAVVNK-SNVBAGLBSA-N 0 0 269.772 3.344 20 10 CGCDRN C/C=C(/CC)C(=O)NCc1cccc(Cl)c1O ZINC000890759324 617815694 /nfs/dbraw/zinc/81/56/94/617815694.db2.gz JSEWIXAWBWXHKT-OQFOIZHKSA-N 0 0 253.729 3.018 20 10 CGCDRN CC(C)c1[nH]ccc1C(=O)NCc1cccc(Cl)c1O ZINC000890759888 617816805 /nfs/dbraw/zinc/81/68/05/617816805.db2.gz ULAPTLVPCIYIMT-UHFFFAOYSA-N 0 0 292.766 3.427 20 10 CGCDRN C[C@H](NC(=O)NC[C@]12C[C@H]1CCCC2)c1ccccc1O ZINC000924367864 618244108 /nfs/dbraw/zinc/24/41/08/618244108.db2.gz CHLMCMHPMTZZAS-AHIWAGSCSA-N 0 0 288.391 3.333 20 10 CGCDRN Cc1cnc(NCc2ccccc2O)c(Br)c1 ZINC000097845410 618464792 /nfs/dbraw/zinc/46/47/92/618464792.db2.gz BFRVBYWEUNVTDJ-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CN(CCSc1nccs1)c1ccccc1 ZINC000127444553 618565166 /nfs/dbraw/zinc/56/51/66/618565166.db2.gz LRVVCHNVCGQHLQ-UHFFFAOYSA-N 0 0 250.392 3.372 20 10 CGCDRN Cc1cc(NCc2ccccc2O)nc(C2CCC2)n1 ZINC000892161763 618565661 /nfs/dbraw/zinc/56/56/61/618565661.db2.gz QEAGYSJTWLNRLL-UHFFFAOYSA-N 0 0 269.348 3.370 20 10 CGCDRN CC(C)=C(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554421 618707600 /nfs/dbraw/zinc/70/76/00/618707600.db2.gz ACBXNVYXLUOZHW-AWEZNQCLSA-N 0 0 288.435 3.465 20 10 CGCDRN O=Cc1c[nH]nc1C=Cc1ccc(N2CCCCC2)cc1 ZINC000255677288 618776010 /nfs/dbraw/zinc/77/60/10/618776010.db2.gz UANQSANADUIHQX-TWGQIWQCSA-N 0 0 281.359 3.383 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(F)cc1[O-] ZINC000310544434 618799373 /nfs/dbraw/zinc/79/93/73/618799373.db2.gz DFBJOXPBWULMLD-YGOYTEALSA-N 0 0 255.358 3.076 20 10 CGCDRN CN(C)c1ccc(-c2nc(-c3cnn(C)c3)cs2)cc1 ZINC000153514911 618820353 /nfs/dbraw/zinc/82/03/53/618820353.db2.gz CTPFLONTPJMLLT-UHFFFAOYSA-N 0 0 284.388 3.277 20 10 CGCDRN Cc1nc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc2o1 ZINC000177665687 618834811 /nfs/dbraw/zinc/83/48/11/618834811.db2.gz FNBVADCSOLOSQA-UHFFFAOYSA-N 0 0 298.298 3.108 20 10 CGCDRN CCOc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000177674039 618835123 /nfs/dbraw/zinc/83/51/23/618835123.db2.gz CCMVZQCBYRYFRG-UHFFFAOYSA-N 0 0 287.315 3.057 20 10 CGCDRN c1csc(SCCCNc2nccc3nc[nH]c32)n1 ZINC000892515416 618837810 /nfs/dbraw/zinc/83/78/10/618837810.db2.gz QLMQBHWSWYSLOH-UHFFFAOYSA-N 0 0 291.405 3.009 20 10 CGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(F)cc1F ZINC000178131483 618899842 /nfs/dbraw/zinc/89/98/42/618899842.db2.gz PECUUJQBLAXZMS-UHFFFAOYSA-N 0 0 291.297 3.251 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccccc1 ZINC000783754266 618917442 /nfs/dbraw/zinc/91/74/42/618917442.db2.gz CQZLFFJJVFTBDT-MDZDMXLPSA-N 0 0 266.344 3.456 20 10 CGCDRN Cn1ccc2cccc(NCc3ccccc3O)c21 ZINC000190908271 619104803 /nfs/dbraw/zinc/10/48/03/619104803.db2.gz ARPVCDWCPWPAST-UHFFFAOYSA-N 0 0 252.317 3.496 20 10 CGCDRN Cc1ccncc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000162636853 619120320 /nfs/dbraw/zinc/12/03/20/619120320.db2.gz YDMUHPVRYWUQKD-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(O)c2O)cc1 ZINC000193081750 619125419 /nfs/dbraw/zinc/12/54/19/619125419.db2.gz AYXLLROTLQRWJP-CYBMUJFWSA-N 0 0 299.370 3.109 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccsc2)cc1 ZINC000015134891 619144807 /nfs/dbraw/zinc/14/48/07/619144807.db2.gz AYVXEGKLQLACHN-VMPITWQZSA-N 0 0 286.400 3.144 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(OC)c2F)cc1F ZINC000893461907 619183273 /nfs/dbraw/zinc/18/32/73/619183273.db2.gz AIHGVUYSDCFNID-UHFFFAOYSA-N 0 0 294.301 3.013 20 10 CGCDRN CCOc1cccc(CN2CCN(C)c3ccccc32)c1O ZINC000317344880 619248191 /nfs/dbraw/zinc/24/81/91/619248191.db2.gz GQXGDMPGXAXOTL-UHFFFAOYSA-N 0 0 298.386 3.247 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CS1 ZINC000840959829 619278359 /nfs/dbraw/zinc/27/83/59/619278359.db2.gz ZQRTZQJBBPWNQC-YUMQZZPRSA-N 0 0 275.776 3.168 20 10 CGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000248518508 619380847 /nfs/dbraw/zinc/38/08/47/619380847.db2.gz PVYZGTHEIPMKMO-MGPQQGTHSA-N 0 0 294.414 3.302 20 10 CGCDRN Cc1ccsc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000048402603 619490506 /nfs/dbraw/zinc/49/05/06/619490506.db2.gz RKAXHWVATKNPNN-POHAHGRESA-N 0 0 281.427 3.420 20 10 CGCDRN O=C(N[C@H]1CC=CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896457850 620011860 /nfs/dbraw/zinc/01/18/60/620011860.db2.gz KFIIZZFUZPUFAR-JTQLQIEISA-N 0 0 289.356 3.151 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896532303 620022589 /nfs/dbraw/zinc/02/25/89/620022589.db2.gz UEYRSGMEEZZWRI-CYBMUJFWSA-N 0 0 288.416 3.303 20 10 CGCDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)C1CCSCC1 ZINC000896638918 620041731 /nfs/dbraw/zinc/04/17/31/620041731.db2.gz RWDYFPIQGDEXLC-JTQLQIEISA-N 0 0 269.385 3.153 20 10 CGCDRN CC1=CC[C@@](C)(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928710047 620208263 /nfs/dbraw/zinc/20/82/63/620208263.db2.gz GNOJLAJRQIKFBP-MRXNPFEDSA-N 0 0 277.339 3.284 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841743476 620341429 /nfs/dbraw/zinc/34/14/29/620341429.db2.gz HNORNPPTVBXEQR-LLVKDONJSA-N 0 0 276.767 3.334 20 10 CGCDRN C[C@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897496191 620354303 /nfs/dbraw/zinc/35/43/03/620354303.db2.gz KHCVMEMSROQEAV-WCBMZHEXSA-N 0 0 291.372 3.231 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(Cl)cc1[O-] ZINC000841755293 620398778 /nfs/dbraw/zinc/39/87/78/620398778.db2.gz IXYZSNUEWRACHR-LOWVWBTDSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCCC2(CC2)C1)c1ccccc1O ZINC000897762532 620424434 /nfs/dbraw/zinc/42/44/34/620424434.db2.gz PVVVJOKXUVEFMG-STQMWFEESA-N 0 0 288.391 3.475 20 10 CGCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCC2(CC2)C1 ZINC000897763140 620425103 /nfs/dbraw/zinc/42/51/03/620425103.db2.gz ULUYFOCVZUKZLE-LLVKDONJSA-N 0 0 292.354 3.053 20 10 CGCDRN CC[C@H](C)CONC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897828841 620437455 /nfs/dbraw/zinc/43/74/55/620437455.db2.gz ZDSJGHFJRWZCGL-QMMMGPOBSA-N 0 0 295.360 3.020 20 10 CGCDRN Cc1cccc(O)c1CNCc1nc(C(C)(C)C)co1 ZINC000897944309 620453365 /nfs/dbraw/zinc/45/33/65/620453365.db2.gz MDTKWTHGEXPVSK-UHFFFAOYSA-N 0 0 274.364 3.276 20 10 CGCDRN C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000897969278 620459129 /nfs/dbraw/zinc/45/91/29/620459129.db2.gz IEDGFHQNXVIHBB-JTQLQIEISA-N 0 0 294.757 3.301 20 10 CGCDRN CCOc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000898218455 620489347 /nfs/dbraw/zinc/48/93/47/620489347.db2.gz HMHQKDCQQTZJMC-UHFFFAOYSA-N 0 0 292.766 3.129 20 10 CGCDRN Cc1ncccc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000898251983 620497535 /nfs/dbraw/zinc/49/75/35/620497535.db2.gz SSMTZOPGEBMTGZ-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000898252532 620498152 /nfs/dbraw/zinc/49/81/52/620498152.db2.gz DLSSNTPORDOIIM-SUZMYJTESA-N 0 0 294.782 3.033 20 10 CGCDRN CC[C@]1(C)CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093459019 620535229 /nfs/dbraw/zinc/53/52/29/620535229.db2.gz MWGVLJCJRXNSEN-MRXNPFEDSA-N 0 0 263.381 3.413 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000903317609 621688367 /nfs/dbraw/zinc/68/83/67/621688367.db2.gz MMSKWVWBMUYUGY-TZQJONAQSA-N 0 0 289.375 3.018 20 10 CGCDRN C[C@@H]([NH2+]CCOC1CCSCC1)c1c([O-])cccc1F ZINC000903444888 621757524 /nfs/dbraw/zinc/75/75/24/621757524.db2.gz FGOIVDUUKCOUCZ-LLVKDONJSA-N 0 0 299.411 3.094 20 10 CGCDRN C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(F)cc1[O-] ZINC000903446710 621758297 /nfs/dbraw/zinc/75/82/97/621758297.db2.gz RHNZJDNDHJAKEA-NSHDSACASA-N 0 0 299.411 3.094 20 10 CGCDRN COc1ccc(CNC(=O)[C@H]2CCC=CCCC2)c(O)c1 ZINC000907925514 622318034 /nfs/dbraw/zinc/31/80/34/622318034.db2.gz IAVNOVYCRBUMQY-ZDUSSCGKSA-N 0 0 289.375 3.154 20 10 CGCDRN Oc1c(F)cccc1CN1CCCNc2ccccc21 ZINC000841088900 622419108 /nfs/dbraw/zinc/41/91/08/622419108.db2.gz FMXZRGIYKMAGDJ-UHFFFAOYSA-N 0 0 272.323 3.354 20 10 CGCDRN CN(C(=O)[C@H]1CCc2ccccc2C1)c1ccc(N)cc1 ZINC000223345948 622858066 /nfs/dbraw/zinc/85/80/66/622858066.db2.gz XMQZWFSHPGZNJY-HNNXBMFYSA-N 0 0 280.371 3.037 20 10 CGCDRN CCCC[C@@H](CC)CNC(=O)c1cccc(O)c1O ZINC000165715469 622867488 /nfs/dbraw/zinc/86/74/88/622867488.db2.gz VJLZFILCQJRZRV-LLVKDONJSA-N 0 0 265.353 3.044 20 10 CGCDRN CN(C)c1ccccc1NCc1cc(F)ccc1O ZINC000226580866 622984368 /nfs/dbraw/zinc/98/43/68/622984368.db2.gz QLSRPHVKELGVJS-UHFFFAOYSA-N 0 0 260.312 3.209 20 10 CGCDRN COc1cc(C)ccc1NCc1cc(F)ccc1O ZINC000226581626 622984623 /nfs/dbraw/zinc/98/46/23/622984623.db2.gz ZZMJSHOUJJIXQL-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CN(C)[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccco1 ZINC000158073891 623004012 /nfs/dbraw/zinc/00/40/12/623004012.db2.gz VIYQFOBKSAFLNV-CYBMUJFWSA-N 0 0 294.782 3.031 20 10 CGCDRN CC/C=C(/C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000061398376 623138054 /nfs/dbraw/zinc/13/80/54/623138054.db2.gz RJIYBQOBXFSRCQ-NSIKDUERSA-N 0 0 272.392 3.259 20 10 CGCDRN Cc1c(C[NH2+]Cc2cccc(F)c2[O-])cccc1[N+](=O)[O-] ZINC000231884559 623347437 /nfs/dbraw/zinc/34/74/37/623347437.db2.gz QIYOJQJXNGJWRM-UHFFFAOYSA-N 0 0 290.294 3.038 20 10 CGCDRN CCN(C(=O)/C=C/c1cnn(C)c1)c1ccccc1Cl ZINC000914515000 623818880 /nfs/dbraw/zinc/81/88/80/623818880.db2.gz FKYDNCBOOZMFQD-CMDGGOBGSA-N 0 0 289.766 3.140 20 10 CGCDRN Cc1cccc(NC(=O)CSc2nccs2)c1 ZINC000915656560 624016816 /nfs/dbraw/zinc/01/68/16/624016816.db2.gz NCDHUPYDEXMXAF-UHFFFAOYSA-N 0 0 264.375 3.182 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCc1ccccc1F ZINC000917309057 624258856 /nfs/dbraw/zinc/25/88/56/624258856.db2.gz DXJPCEJOKDNZJB-UHFFFAOYSA-N 0 0 287.334 3.123 20 10 CGCDRN C[C@@H]1CC[C@@H](C)N1C(=O)NCCCSc1nccs1 ZINC000154608752 624325705 /nfs/dbraw/zinc/32/57/05/624325705.db2.gz PZSYTLOVMCCMDJ-GHMZBOCLSA-N 0 0 299.465 3.208 20 10 CGCDRN O=C(C=C1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000918119292 624334846 /nfs/dbraw/zinc/33/48/46/624334846.db2.gz RMWBSORQHLDMIO-UHFFFAOYSA-N 0 0 284.403 3.403 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(C)C)cc1 ZINC000918161076 624339365 /nfs/dbraw/zinc/33/93/65/624339365.db2.gz VVYDFHPDORJJMW-AWEZNQCLSA-N 0 0 291.439 3.377 20 10 CGCDRN CCC/C(C)=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000920285580 624470592 /nfs/dbraw/zinc/47/05/92/624470592.db2.gz PGOMHLXEDSCATI-OWBHPGMISA-N 0 0 274.408 3.457 20 10 CGCDRN Cc1ccc(F)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180609097 624761012 /nfs/dbraw/zinc/76/10/12/624761012.db2.gz GKBNQDNLEHGMKO-QPJJXVBHSA-N 0 0 287.290 3.197 20 10 CGCDRN CSCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000068890381 624765680 /nfs/dbraw/zinc/76/56/80/624765680.db2.gz FQQZZJRDURHHOG-UHFFFAOYSA-N 0 0 266.193 3.152 20 10 CGCDRN COCc1nc(CSc2ncc(C(C)(C)C)s2)no1 ZINC000182750039 625028625 /nfs/dbraw/zinc/02/86/25/625028625.db2.gz OYURVBAZALWNEH-UHFFFAOYSA-N 0 0 299.421 3.262 20 10 CGCDRN CCC(CC)(CC)CNC(=O)C1=CC(=O)CS1 ZINC000759327423 626887784 /nfs/dbraw/zinc/88/77/84/626887784.db2.gz JOKNVBGDSJRNAZ-UHFFFAOYSA-N 0 0 255.383 3.400 20 10 CGCDRN Cc1oc2ccccc2c1C(=O)NCc1ccc(O)c(O)c1 ZINC000184720803 625265103 /nfs/dbraw/zinc/26/51/03/625265103.db2.gz QIJCKRAFQPJXPP-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN CCCCNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774256120 626174903 /nfs/dbraw/zinc/17/49/03/626174903.db2.gz MNQKPAMDIQOLQD-LBPRGKRZSA-N 0 0 279.453 3.078 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H](C)F ZINC000838618897 626239426 /nfs/dbraw/zinc/23/94/26/626239426.db2.gz HYWUNTIAVFRDLO-CYBMUJFWSA-N 0 0 295.402 3.032 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(F)F)cc1 ZINC000103400168 626339606 /nfs/dbraw/zinc/33/96/06/626339606.db2.gz XELWGIGSHQHNCA-UHFFFAOYSA-N 0 0 292.329 3.431 20 10 CGCDRN COc1ccc(N(CCC2(O)CCC2)C(C)C)cc1F ZINC000839512316 626356892 /nfs/dbraw/zinc/35/68/92/626356892.db2.gz LQOIJJFOTCGYON-UHFFFAOYSA-N 0 0 281.371 3.354 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3ccccc32)cn1 ZINC000754259680 626565145 /nfs/dbraw/zinc/56/51/45/626565145.db2.gz IZMILDMKDQXGPM-ATWMFIQVSA-N 0 0 294.354 3.217 20 10 CGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C\c1ccc(C)nc1 ZINC000754304208 626566890 /nfs/dbraw/zinc/56/68/90/626566890.db2.gz MLTGKWSHMYSRCH-VURMDHGXSA-N 0 0 294.354 3.137 20 10 CGCDRN C[C@@H]1CCCN(C(=O)/C=C/c2cnn(C)c2)c2ccccc21 ZINC000754610099 626579000 /nfs/dbraw/zinc/57/90/00/626579000.db2.gz XZILHUODGKIKLR-ATWMFIQVSA-N 0 0 295.386 3.364 20 10 CGCDRN O=C(Nc1nc2ccccc2n1C1CC1)C1=CC(=O)CS1 ZINC000755329950 626615067 /nfs/dbraw/zinc/61/50/67/626615067.db2.gz DKOULPBPWSEQOZ-UHFFFAOYSA-N 0 0 299.355 3.391 20 10 CGCDRN CCC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874106402 634516314 /nfs/dbraw/zinc/51/63/14/634516314.db2.gz CGOAXSOJVASACF-UHFFFAOYSA-N 0 0 288.351 3.111 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756342648 626693974 /nfs/dbraw/zinc/69/39/74/626693974.db2.gz SUFIKGIYBFGXPW-JTQLQIEISA-N 0 0 290.294 3.290 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000756342180 626694220 /nfs/dbraw/zinc/69/42/20/626694220.db2.gz OUFNZBRTVOGPHX-HUBLWGQQSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@H]([NH2+]CCOc1ccccc1F)c1ccc(F)cc1[O-] ZINC000756373174 626697553 /nfs/dbraw/zinc/69/75/53/626697553.db2.gz UOTYLLBMSLOZAB-NSHDSACASA-N 0 0 293.313 3.400 20 10 CGCDRN 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3.465 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2C[C@H](C)Oc3ccccc32)c1 ZINC000772117593 627763869 /nfs/dbraw/zinc/76/38/69/627763869.db2.gz BQGQILQPQPBAAG-DANTVBBOSA-N 0 0 294.354 3.217 20 10 CGCDRN CC(C)[C@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc21 ZINC000772918258 627832485 /nfs/dbraw/zinc/83/24/85/627832485.db2.gz NQXYAFKZECWFOV-HLRDLLSLSA-N 0 0 295.386 3.220 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)c1ccco1)c1ccc(N(C)C)cc1 ZINC000772999771 627839431 /nfs/dbraw/zinc/83/94/31/627839431.db2.gz LUBMIKYUGNWRCQ-QWHCGFSZSA-N 0 0 286.375 3.327 20 10 CGCDRN Cc1ncsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773001420 627840182 /nfs/dbraw/zinc/84/01/82/627840182.db2.gz UIINLXTXCIUWBV-JTQLQIEISA-N 0 0 289.404 3.009 20 10 CGCDRN CC(C)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773005741 627840757 /nfs/dbraw/zinc/84/07/57/627840757.db2.gz CQVSXSRGSXAVDK-ZDUSSCGKSA-N 0 0 262.397 3.366 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773012046 627842006 /nfs/dbraw/zinc/84/20/06/627842006.db2.gz 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/nfs/dbraw/zinc/12/64/29/628126429.db2.gz JDVPQASLTKCFFF-MRVPVSSYSA-N 0 0 275.776 3.122 20 10 CGCDRN COc1cccc(CNc2cccc(N(C)C)c2C)c1O ZINC000775764250 628134587 /nfs/dbraw/zinc/13/45/87/628134587.db2.gz RQOJUQUKMDVDLM-UHFFFAOYSA-N 0 0 286.375 3.387 20 10 CGCDRN CCCCOC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835676 628141093 /nfs/dbraw/zinc/14/10/93/628141093.db2.gz HSYSDNCJOVPQAX-KGLIPLIRSA-N 0 0 292.423 3.135 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2cc(F)c(F)cc21 ZINC000775968494 628154405 /nfs/dbraw/zinc/15/44/05/628154405.db2.gz ITVFTWSLZWPMGL-UHFFFAOYSA-N 0 0 279.261 3.372 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776222735 628182477 /nfs/dbraw/zinc/18/24/77/628182477.db2.gz SFDXWEGFYLHAJD-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000776314396 628192867 /nfs/dbraw/zinc/19/28/67/628192867.db2.gz PXMUXRWAMBMGPV-CZUORRHYSA-N 0 0 286.419 3.121 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccncc1C ZINC000776668077 628224471 /nfs/dbraw/zinc/22/44/71/628224471.db2.gz MKSHCNPJFGLNRG-UHFFFAOYSA-N 0 0 298.386 3.077 20 10 CGCDRN CCCN(C(=O)/C=C/c1scnc1C)c1cccnc1 ZINC000776858003 628236659 /nfs/dbraw/zinc/23/66/59/628236659.db2.gz ZTRSQDKXSMRTER-VOTSOKGWSA-N 0 0 287.388 3.303 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(F)cn2)cc1F ZINC000777512547 628277217 /nfs/dbraw/zinc/27/72/17/628277217.db2.gz MWOKWKCTAOQEEI-UHFFFAOYSA-N 0 0 263.291 3.038 20 10 CGCDRN Cc1ccc(-c2noc(NCc3ccccc3O)n2)cc1 ZINC000778567208 628358029 /nfs/dbraw/zinc/35/80/29/628358029.db2.gz RUAOWKSKRCUMQP-UHFFFAOYSA-N 0 0 281.315 3.363 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(N2CCCC2)cn1 ZINC000779062421 628385847 /nfs/dbraw/zinc/38/58/47/628385847.db2.gz OTEQFDACDPDNTA-UHFFFAOYSA-N 0 0 287.338 3.139 20 10 CGCDRN C[C@H]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1F ZINC000779151495 628391238 /nfs/dbraw/zinc/39/12/38/628391238.db2.gz YVBSLWLOWFANCJ-JOYOIKCWSA-N 0 0 257.736 3.226 20 10 CGCDRN COC(=O)c1cc(NCc2cc(F)ccc2O)ccc1C ZINC000779157632 628391524 /nfs/dbraw/zinc/39/15/24/628391524.db2.gz KMUNDDMYSCEKMR-UHFFFAOYSA-N 0 0 289.306 3.238 20 10 CGCDRN CCCC[C@@H](CC)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779474677 628415121 /nfs/dbraw/zinc/41/51/21/628415121.db2.gz CIRILWROXDKXPF-CHOZFAJLSA-N 0 0 291.391 3.444 20 10 CGCDRN Cc1cnc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000780322372 628482164 /nfs/dbraw/zinc/48/21/64/628482164.db2.gz PQWRXEWOGBYQPS-UHFFFAOYSA-N 0 0 297.402 3.037 20 10 CGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1ccccc1[N+](=O)[O-] ZINC000783607047 628731350 /nfs/dbraw/zinc/73/13/50/628731350.db2.gz DMVUQUNUZFJJEL-QMMMGPOBSA-N 0 0 293.300 3.280 20 10 CGCDRN CC1(C)CCC[C@@](O)(C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000783737078 628744109 /nfs/dbraw/zinc/74/41/09/628744109.db2.gz YSJWRSSTGWRNGX-INIZCTEOSA-N 0 0 297.826 3.467 20 10 CGCDRN COC(=O)COc1ccc(N(C)CCC(C)(C)C)cc1 ZINC000784559945 628821740 /nfs/dbraw/zinc/82/17/40/628821740.db2.gz VYOAESJBNTZDTM-UHFFFAOYSA-N 0 0 279.380 3.111 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCCC1(O)CC1 ZINC000785444473 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629242127 /nfs/dbraw/zinc/24/21/27/629242127.db2.gz PTDRNNZDKDYVKH-UHFFFAOYSA-N 0 0 269.703 3.110 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790948696 629242325 /nfs/dbraw/zinc/24/23/25/629242325.db2.gz DWJLCIKHDQAKLN-SECBINFHSA-N 0 0 283.730 3.499 20 10 CGCDRN C[C@H]1C[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790980870 629245770 /nfs/dbraw/zinc/24/57/70/629245770.db2.gz GGTSCZQMTIWKCA-VHSXEESVSA-N 0 0 287.762 3.089 20 10 CGCDRN COc1cccnc1NCc1c(O)ccc(Cl)c1F ZINC000790981793 629246037 /nfs/dbraw/zinc/24/60/37/629246037.db2.gz XDWILYKBXPCWMZ-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2[C@@H](C)C[C@@H]2C)c1O ZINC000791567640 629289818 /nfs/dbraw/zinc/28/98/18/629289818.db2.gz TWKAMDWJJNBJAV-IUCAKERBSA-N 0 0 267.756 3.231 20 10 CGCDRN CN(C)c1cc(F)c(CN2CCC=C(F)C2)cc1F ZINC000862303029 629341534 /nfs/dbraw/zinc/34/15/34/629341534.db2.gz IDKJXMKZDSRHIG-UHFFFAOYSA-N 0 0 270.298 3.090 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000792231987 629351492 /nfs/dbraw/zinc/35/14/92/629351492.db2.gz SLGOHGZRXPALGC-HNNXBMFYSA-N 0 0 289.375 3.007 20 10 CGCDRN CCC(F)(F)CNCc1cc(Cl)cc(C)c1O ZINC000862489314 629389183 /nfs/dbraw/zinc/38/91/83/629389183.db2.gz HXTOHWZREQAYEG-UHFFFAOYSA-N 0 0 263.715 3.489 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccns1 ZINC000862539712 629396490 /nfs/dbraw/zinc/39/64/90/629396490.db2.gz QNRFZCXJABINRF-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN COC(=O)C(C)(C)CCN(C)c1ccc(OC)c(Cl)c1 ZINC000793063878 629407264 /nfs/dbraw/zinc/40/72/64/629407264.db2.gz YMKLSIQDEYHZCF-UHFFFAOYSA-N 0 0 299.798 3.374 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000862759737 629430592 /nfs/dbraw/zinc/43/05/92/629430592.db2.gz KITCZNAGSUTAQN-QGZVFWFLSA-N 0 0 295.382 3.437 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000862759891 629431143 /nfs/dbraw/zinc/43/11/43/629431143.db2.gz KELIXNYAZSSHGZ-HNNXBMFYSA-N 0 0 295.382 3.437 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CC2CCCCC2)c1 ZINC000862761562 629431461 /nfs/dbraw/zinc/43/14/61/629431461.db2.gz SSHATPJZBDLFCX-UHFFFAOYSA-N 0 0 261.365 3.287 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCC3)c1 ZINC000862761515 629431476 /nfs/dbraw/zinc/43/14/76/629431476.db2.gz RGHXTIIIJALDKU-UHFFFAOYSA-N 0 0 281.355 3.119 20 10 CGCDRN Cc1coc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000793467811 629470071 /nfs/dbraw/zinc/47/00/71/629470071.db2.gz CAEKVBCNEOQUBC-GFCCVEGCSA-N 0 0 286.375 3.453 20 10 CGCDRN Cc1cc(CNC(=O)C2(F)CC2)c(C)n1-c1ccccc1 ZINC000863163850 629486221 /nfs/dbraw/zinc/48/62/21/629486221.db2.gz QWUOCSOOFQHTFB-UHFFFAOYSA-N 0 0 286.350 3.212 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCC(F)F ZINC000793658242 629494063 /nfs/dbraw/zinc/49/40/63/629494063.db2.gz QYJHKRPOUFUEJP-UHFFFAOYSA-N 0 0 271.307 3.176 20 10 CGCDRN BrC1(CSc2nccs2)CC1 ZINC000863295383 629527243 /nfs/dbraw/zinc/52/72/43/629527243.db2.gz RRHOCELYBSXBBS-UHFFFAOYSA-N 0 0 250.186 3.163 20 10 CGCDRN COc1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2C)c(O)c1 ZINC000794370137 629537500 /nfs/dbraw/zinc/53/75/00/629537500.db2.gz LYXVEVOHEZAVNL-QWHCGFSZSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(CNC(=O)C[C@@H]2CCCC[C@@H]2C)c(O)c1 ZINC000794370138 629537937 /nfs/dbraw/zinc/53/79/37/629537937.db2.gz LYXVEVOHEZAVNL-STQMWFEESA-N 0 0 291.391 3.233 20 10 CGCDRN CC[C@H](C)CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000794809521 629580114 /nfs/dbraw/zinc/58/01/14/629580114.db2.gz QLWQALKKEBPYME-ZDUSSCGKSA-N 0 0 262.397 3.195 20 10 CGCDRN O=C1NC(=S)S/C1=C\c1ccc(C(F)F)cc1 ZINC000794866969 629591467 /nfs/dbraw/zinc/59/14/67/629591467.db2.gz RMLGZPVKPISNRM-YVMONPNESA-N 0 0 271.313 3.113 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc3nonc3c2)cc1 ZINC000864012437 629726084 /nfs/dbraw/zinc/72/60/84/629726084.db2.gz NMPANUAVJXBSSP-UHFFFAOYSA-N 0 0 283.331 3.258 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cccc2c1CCOC2 ZINC000864008800 629726253 /nfs/dbraw/zinc/72/62/53/629726253.db2.gz PBNXJESPLDLHHM-UHFFFAOYSA-N 0 0 295.382 3.331 20 10 CGCDRN CN=[S@](C)(=O)c1cccc(NCc2ccccc2O)c1 ZINC000864014167 629727096 /nfs/dbraw/zinc/72/70/96/629727096.db2.gz KRPVYBCPMZUVIK-HXUWFJFHSA-N 0 0 290.388 3.091 20 10 CGCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@H]2C[C@H]2C1 ZINC000864054450 629748989 /nfs/dbraw/zinc/74/89/89/629748989.db2.gz ZDGWQBBWZSLWHE-HBYGRHMLSA-N 0 0 267.319 3.196 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CSC[C@H]2C)c1[O-] ZINC000796403455 629776842 /nfs/dbraw/zinc/77/68/42/629776842.db2.gz RAHHJPMDTQWCNI-AMIZOPFISA-N 0 0 299.823 3.089 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)F ZINC000875944105 634756879 /nfs/dbraw/zinc/75/68/79/634756879.db2.gz DUIPUDIEOQFCEU-UHFFFAOYSA-N 0 0 295.402 3.032 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)cs1 ZINC000796502952 629790678 /nfs/dbraw/zinc/79/06/78/629790678.db2.gz VRGAOBTYAZHSOK-UHFFFAOYSA-N 0 0 288.416 3.361 20 10 CGCDRN CC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)cc1[O-] ZINC000796675359 629813478 /nfs/dbraw/zinc/81/34/78/629813478.db2.gz NEUUIQZXPBKLQU-HNNXBMFYSA-N 0 0 294.414 3.446 20 10 CGCDRN CC(C)(C)Oc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000864363827 629818213 /nfs/dbraw/zinc/81/82/13/629818213.db2.gz WJHRZFLSIFWAHW-DHZHZOJOSA-N 0 0 293.413 3.353 20 10 CGCDRN CCc1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])[nH]n1 ZINC000796758742 629827928 /nfs/dbraw/zinc/82/79/28/629827928.db2.gz FXOLOVZRVUWZRF-AWEZNQCLSA-N 0 0 277.343 3.058 20 10 CGCDRN CC[C@H]([NH2+]CC1(COC)CCC1)c1ccc(F)cc1[O-] ZINC000796987974 629869056 /nfs/dbraw/zinc/86/90/56/629869056.db2.gz FFZFPXMTRKJZDA-AWEZNQCLSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@@H]1C[C@H]1c1nnc(NCc2c(O)cccc2Cl)o1 ZINC000865295725 630057712 /nfs/dbraw/zinc/05/77/12/630057712.db2.gz KOPFAEZFMVXRSG-HTQZYQBOSA-N 0 0 279.727 3.164 20 10 CGCDRN CCOC(=O)c1cccc(CSc2nccs2)n1 ZINC000865353135 630068888 /nfs/dbraw/zinc/06/88/88/630068888.db2.gz WLHSJVWTXWRJDY-UHFFFAOYSA-N 0 0 280.374 3.007 20 10 CGCDRN O=C(NCc1ccccc1O)NCC1(C2CCC2)CCC1 ZINC000836672780 634789541 /nfs/dbraw/zinc/78/95/41/634789541.db2.gz LNXWOUMLRMYIMN-UHFFFAOYSA-N 0 0 288.391 3.162 20 10 CGCDRN CC1(C)CCC[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000799497944 630191972 /nfs/dbraw/zinc/19/19/72/630191972.db2.gz ADHXVGQLEFXJPX-OWNNVSBGSA-N 0 0 276.332 3.233 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736221 630228146 /nfs/dbraw/zinc/22/81/46/630228146.db2.gz IMHZNPZMNATQNN-VHSXEESVSA-N 0 0 287.762 3.184 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2=CC[C@H](C)CC2)c1 ZINC000836777795 634800950 /nfs/dbraw/zinc/80/09/50/634800950.db2.gz PFNPQBAKUFJODT-NWDGAFQWSA-N 0 0 289.375 3.324 20 10 CGCDRN O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)C1=CC(=O)CS1 ZINC000800696144 630295579 /nfs/dbraw/zinc/29/55/79/630295579.db2.gz ZCTAUVPNAHSGRK-LLVKDONJSA-N 0 0 293.775 3.004 20 10 CGCDRN C/C=C(/CC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920619 630296950 /nfs/dbraw/zinc/29/69/50/630296950.db2.gz CHJLCIHAOAXJGX-FQNPWXFGSA-N 0 0 288.435 3.465 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC1(C)CC1 ZINC000839921039 630297004 /nfs/dbraw/zinc/29/70/04/630297004.db2.gz GRDJIYNNMYTTHJ-CQSZACIVSA-N 0 0 288.435 3.298 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000836790533 634803303 /nfs/dbraw/zinc/80/33/03/634803303.db2.gz HWAZFJQKPHUAPG-TXKQXAOOSA-N 0 0 289.375 3.054 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)COC ZINC000801551319 630343024 /nfs/dbraw/zinc/34/30/24/630343024.db2.gz LERHGLCZHUTJCW-CQSZACIVSA-N 0 0 293.407 3.194 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2csc(C)c2)c1 ZINC000802782026 630410788 /nfs/dbraw/zinc/41/07/88/630410788.db2.gz LVZCZQSJDGYTSE-JTQLQIEISA-N 0 0 291.372 3.262 20 10 CGCDRN CCc1nc(C)cc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000804392219 630525713 /nfs/dbraw/zinc/52/57/13/630525713.db2.gz KDJQBQCJLOJXDG-UHFFFAOYSA-N 0 0 288.370 3.165 20 10 CGCDRN CC[C@@H]([NH2+]CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129206 630545098 /nfs/dbraw/zinc/54/50/98/630545098.db2.gz UAFITOIFSARMDU-LLVKDONJSA-N 0 0 278.179 3.386 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc[nH]n1)c1cccc(Cl)c1[O-] ZINC000806137715 630546905 /nfs/dbraw/zinc/54/69/05/630546905.db2.gz NAWSCTMKWHRKCK-LBPRGKRZSA-N 0 0 265.744 3.010 20 10 CGCDRN Cc1ccncc1CCCN(C)c1ccc2c(c1)OCO2 ZINC000809637553 630770955 /nfs/dbraw/zinc/77/09/55/630770955.db2.gz XASSGDKYPLFABC-UHFFFAOYSA-N 0 0 284.359 3.188 20 10 CGCDRN CCCC[N@H+](CCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000809752377 630800414 /nfs/dbraw/zinc/80/04/14/630800414.db2.gz QGFSYTQDEYHAFU-UHFFFAOYSA-N 0 0 289.778 3.169 20 10 CGCDRN CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809767863 630804037 /nfs/dbraw/zinc/80/40/37/630804037.db2.gz WDSMPBKQWRMRJD-LBPRGKRZSA-N 0 0 289.778 3.024 20 10 CGCDRN CCOCC(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809789641 630811006 /nfs/dbraw/zinc/81/10/06/630811006.db2.gz UMFLPKRGUAYHAD-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN CN(C)c1ccc(OCc2ccc3c(c2)COC3)cc1 ZINC000810000233 630826442 /nfs/dbraw/zinc/82/64/42/630826442.db2.gz GCQFQXMSKYUBRH-UHFFFAOYSA-N 0 0 269.344 3.362 20 10 CGCDRN CN(C)c1ccc(OCCCC2CCOCC2)cc1 ZINC000810002271 630827405 /nfs/dbraw/zinc/82/74/05/630827405.db2.gz WBTNQQVHEIEIKK-UHFFFAOYSA-N 0 0 263.381 3.338 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(F)CCCCC2)c1 ZINC000810347734 630872630 /nfs/dbraw/zinc/87/26/30/630872630.db2.gz LVARFDPDYDDEIJ-NSHDSACASA-N 0 0 295.354 3.250 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2n[nH]cc2C)cc1 ZINC000811454502 631066685 /nfs/dbraw/zinc/06/66/85/631066685.db2.gz MFBOEDDNDBSWGQ-UHFFFAOYSA-N 0 0 286.423 3.196 20 10 CGCDRN CCCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000811521079 631082948 /nfs/dbraw/zinc/08/29/48/631082948.db2.gz ZANKMIYDXQTHTJ-LLVKDONJSA-N 0 0 296.367 3.320 20 10 CGCDRN O=C(NCc1ccc2sccc2c1)c1cccc(O)c1O ZINC000811589980 631089254 /nfs/dbraw/zinc/08/92/54/631089254.db2.gz QZZCQUMLKPRDJY-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCn2c(cc3ccccc32)C1 ZINC000812758979 631304586 /nfs/dbraw/zinc/30/45/86/631304586.db2.gz RPUQEQBKPCPUAK-UHFFFAOYSA-N 0 0 298.367 3.064 20 10 CGCDRN COc1cccc(CNc2ncc(Cl)cc2C)c1O ZINC000812784682 631308047 /nfs/dbraw/zinc/30/80/47/631308047.db2.gz CMFMERNEIIXVBZ-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc(N)cc2)c(C2CC2)n1 ZINC000876504603 634849038 /nfs/dbraw/zinc/84/90/38/634849038.db2.gz QVMIXKCNLXRICK-UHFFFAOYSA-N 0 0 267.332 3.102 20 10 CGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(CO)c1 ZINC000813415170 631423945 /nfs/dbraw/zinc/42/39/45/631423945.db2.gz HNBYDHOOUZBIPR-UHFFFAOYSA-N 0 0 296.370 3.031 20 10 CGCDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000813872739 631475207 /nfs/dbraw/zinc/47/52/07/631475207.db2.gz KJGDMADUYMSTBA-ZETCQYMHSA-N 0 0 277.261 3.366 20 10 CGCDRN C[C@H]([NH2+]CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557572 631793343 /nfs/dbraw/zinc/79/33/43/631793343.db2.gz XYMXGJCGLDHZHE-QMMMGPOBSA-N 0 0 259.271 3.472 20 10 CGCDRN COCC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815572959 631797811 /nfs/dbraw/zinc/79/78/11/631797811.db2.gz UCHWEMSIIMZQPV-NXEZZACHSA-N 0 0 291.313 3.487 20 10 CGCDRN C[C@@H]([NH2+]Cc1cocn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815605945 631804771 /nfs/dbraw/zinc/80/47/71/631804771.db2.gz JQFVNPMQEXWPJC-MRVPVSSYSA-N 0 0 286.253 3.250 20 10 CGCDRN CCN(C)c1ccc([C@H](C)NCC(C)(F)F)cc1 ZINC000815643411 631811983 /nfs/dbraw/zinc/81/19/83/631811983.db2.gz BRWLWFUGRIMPHD-NSHDSACASA-N 0 0 256.340 3.449 20 10 CGCDRN Cc1noc(C)c1C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816491788 631992086 /nfs/dbraw/zinc/99/20/86/631992086.db2.gz YRFGOZMVVQVBBF-UHFFFAOYSA-N 0 0 298.745 3.422 20 10 CGCDRN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560732 632013777 /nfs/dbraw/zinc/01/37/77/632013777.db2.gz YOFLCCSNBRTGLP-OTYXRUKQSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816584783 632017773 /nfs/dbraw/zinc/01/77/73/632017773.db2.gz SCUPMLJEAMIDPD-WPRPVWTQSA-N 0 0 257.736 3.463 20 10 CGCDRN CCC[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOC1 ZINC000816608528 632023626 /nfs/dbraw/zinc/02/36/26/632023626.db2.gz BNNYTXFJDGRVKQ-CQSZACIVSA-N 0 0 287.762 3.234 20 10 CGCDRN COc1cccc(O)c1CN(C)Cc1c(F)cccc1F ZINC000816652654 632039434 /nfs/dbraw/zinc/03/94/34/632039434.db2.gz POCOFLGDYVCSBX-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1ncccn1 ZINC000817295515 632116963 /nfs/dbraw/zinc/11/69/63/632116963.db2.gz JQAPUPBGYIZADB-OAHLLOKOSA-N 0 0 297.402 3.320 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000817415455 632145663 /nfs/dbraw/zinc/14/56/63/632145663.db2.gz TUNUIECUMKSWSQ-NWDGAFQWSA-N 0 0 287.762 3.232 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CC1(F)F ZINC000817525362 632181257 /nfs/dbraw/zinc/18/12/57/632181257.db2.gz NPXSWYNZEXEMBA-OAHLLOKOSA-N 0 0 296.361 3.146 20 10 CGCDRN CC[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571231 632184565 /nfs/dbraw/zinc/18/45/65/632184565.db2.gz OXNKLWOSPJXOMH-GFCCVEGCSA-N 0 0 283.799 3.480 20 10 CGCDRN O[C@@H](COc1ccc(N2CCCCC2)c(Cl)c1)C1CC1 ZINC000817571907 632184806 /nfs/dbraw/zinc/18/48/06/632184806.db2.gz WGQDJIQJFQQSRH-INIZCTEOSA-N 0 0 295.810 3.480 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000817586015 632191649 /nfs/dbraw/zinc/19/16/49/632191649.db2.gz KVJJWQIRWZEOOZ-WCFLWFBJSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(F)=C1CCC1 ZINC000819292412 632422297 /nfs/dbraw/zinc/42/22/97/632422297.db2.gz UPSMSDYKXZNLII-UHFFFAOYSA-N 0 0 276.355 3.085 20 10 CGCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC000819998336 632557449 /nfs/dbraw/zinc/55/74/49/632557449.db2.gz DWCKNLFXNGFKLH-JTQLQIEISA-N 0 0 288.351 3.158 20 10 CGCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC000820524978 632641351 /nfs/dbraw/zinc/64/13/51/632641351.db2.gz AIXMBLQBJWGOJC-JTQLQIEISA-N 0 0 288.351 3.110 20 10 CGCDRN CC(C)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820706944 632668095 /nfs/dbraw/zinc/66/80/95/632668095.db2.gz BWCRCQPMZGITKV-UHFFFAOYSA-N 0 0 288.351 3.015 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC(C)=C(C)C)c1 ZINC000821064690 632721074 /nfs/dbraw/zinc/72/10/74/632721074.db2.gz FYTPWZJCXIJGMH-GFCCVEGCSA-N 0 0 277.364 3.324 20 10 CGCDRN Cn1c2ccccc2cc(CSc2nccs2)c1=O ZINC000821077907 632723037 /nfs/dbraw/zinc/72/30/37/632723037.db2.gz DHSWIPJGJYRGGF-UHFFFAOYSA-N 0 0 288.397 3.287 20 10 CGCDRN CC/C=C(/F)C(=O)NCCCSc1nccs1 ZINC000865785809 632890340 /nfs/dbraw/zinc/89/03/40/632890340.db2.gz UQNDHFXCLDCTBN-RUDMXATFSA-N 0 0 274.386 3.005 20 10 CGCDRN CCCCc1cc(N2Cc3cccc(O)c3C2)ncn1 ZINC000866117351 633003811 /nfs/dbraw/zinc/00/38/11/633003811.db2.gz LTEGUYLYYYVFBE-UHFFFAOYSA-N 0 0 269.348 3.045 20 10 CGCDRN C[C@@H](Nc1nc(C2CC2)ns1)c1ccccc1O ZINC000866238481 633039416 /nfs/dbraw/zinc/03/94/16/633039416.db2.gz OXWWUBQALAKERN-MRVPVSSYSA-N 0 0 261.350 3.294 20 10 CGCDRN C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC=CCC1 ZINC000823545880 633118979 /nfs/dbraw/zinc/11/89/79/633118979.db2.gz GVMRZEXSXZTWDL-HNNXBMFYSA-N 0 0 286.335 3.078 20 10 CGCDRN CCC[C@@H](CCO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000866415494 633128486 /nfs/dbraw/zinc/12/84/86/633128486.db2.gz WOWXMMPLHSDAAF-GXTWGEPZSA-N 0 0 269.360 3.123 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(Cl)c1[O-] ZINC000866442802 633134024 /nfs/dbraw/zinc/13/40/24/633134024.db2.gz TVRMPQHUVLAMQL-GHMZBOCLSA-N 0 0 293.741 3.102 20 10 CGCDRN CN(CCC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824025962 633183239 /nfs/dbraw/zinc/18/32/39/633183239.db2.gz MUXWCXZVJAIVFQ-UHFFFAOYSA-N 0 0 290.367 3.357 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824408803 633241909 /nfs/dbraw/zinc/24/19/09/633241909.db2.gz SKAODXCEIZYNGF-JTQLQIEISA-N 0 0 290.367 3.404 20 10 CGCDRN CC/C=C(\F)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000867503585 633249182 /nfs/dbraw/zinc/24/91/82/633249182.db2.gz MRZWBOJQLFQCHH-MQOXYSQQSA-N 0 0 264.344 3.193 20 10 CGCDRN CCOCc1cc(CN[C@@H](CC)C(F)F)ccc1OC ZINC000824509286 633251776 /nfs/dbraw/zinc/25/17/76/633251776.db2.gz KPHDDUQOZSJYEB-ZDUSSCGKSA-N 0 0 287.350 3.365 20 10 CGCDRN CCOc1ncc(C)cc1NCc1cc(OC)ccc1O ZINC000824520877 633252779 /nfs/dbraw/zinc/25/27/79/633252779.db2.gz CWZQNSWJHXUXRC-UHFFFAOYSA-N 0 0 288.347 3.115 20 10 CGCDRN CC[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000824574906 633260024 /nfs/dbraw/zinc/26/00/24/633260024.db2.gz QANKFXQNECDCQK-OAHLLOKOSA-N 0 0 288.351 3.158 20 10 CGCDRN Cc1cc(O)c(CN2CCC[C@@H]2c2ncon2)cc1Cl ZINC000824656398 633269416 /nfs/dbraw/zinc/26/94/16/633269416.db2.gz IJLGGVVTRIPMFS-GFCCVEGCSA-N 0 0 293.754 3.074 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000824814741 633295408 /nfs/dbraw/zinc/29/54/08/633295408.db2.gz FAZHKJUQFPUFSP-TVQRCGJNSA-N 0 0 287.762 3.042 20 10 CGCDRN CC(C(=O)NCc1ccc(N2CCCC2)cc1)=C1CCC1 ZINC000824982275 633313515 /nfs/dbraw/zinc/31/35/15/633313515.db2.gz DLKZDDXXVHTXQN-UHFFFAOYSA-N 0 0 284.403 3.403 20 10 CGCDRN CCCc1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000825086051 633326987 /nfs/dbraw/zinc/32/69/87/633326987.db2.gz PGVNZUXQIUCIGT-UHFFFAOYSA-N 0 0 280.755 3.276 20 10 CGCDRN CO[C@@H]([C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000825099090 633328877 /nfs/dbraw/zinc/32/88/77/633328877.db2.gz ULGJUAUBOFRYSX-RTHLEPHNSA-N 0 0 287.762 3.088 20 10 CGCDRN COCC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000825245934 633338524 /nfs/dbraw/zinc/33/85/24/633338524.db2.gz UTLMGYQGYZIWDH-UHFFFAOYSA-N 0 0 283.799 3.342 20 10 CGCDRN CCN(CC)c1ccc(CNCc2ncccc2OC)cc1 ZINC000825249288 633339615 /nfs/dbraw/zinc/33/96/15/633339615.db2.gz AFGTVAGXYQXYMB-UHFFFAOYSA-N 0 0 299.418 3.226 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C1CC1)C1CCC1)c1ccccc1O ZINC000868694782 633352545 /nfs/dbraw/zinc/35/25/45/633352545.db2.gz WXZFJJKZUHZULN-BDJLRTHQSA-N 0 0 288.391 3.331 20 10 CGCDRN Cc1cc(O)c(CN2CCC(F)(F)C2)cc1Cl ZINC000825405493 633353126 /nfs/dbraw/zinc/35/31/26/633353126.db2.gz HKAFXDOVCDCECX-UHFFFAOYSA-N 0 0 261.699 3.195 20 10 CGCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868698489 633353236 /nfs/dbraw/zinc/35/32/36/633353236.db2.gz HXQQDZGRBNACLK-SGIREYDYSA-N 0 0 276.380 3.187 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)NCCCCC2CC2)cc1 ZINC000825662730 633371950 /nfs/dbraw/zinc/37/19/50/633371950.db2.gz YNEPXMRXCGMPDD-UHFFFAOYSA-N 0 0 288.351 3.159 20 10 CGCDRN C/C(=C/C(=O)N1C[C@@H](C)Cc2ccccc21)c1cnccn1 ZINC000825722249 633378024 /nfs/dbraw/zinc/37/80/24/633378024.db2.gz VQZWRUANBABZIE-ODUNQGDFSA-N 0 0 293.370 3.105 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)NCc1cc(OC)ccc1O ZINC000825840362 633383468 /nfs/dbraw/zinc/38/34/68/633383468.db2.gz SRBLGVCDVWXUNE-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN C[C@@H](NC(=O)NCC[C@H]1CCCS1)c1ccccc1O ZINC000868973247 633386145 /nfs/dbraw/zinc/38/61/45/633386145.db2.gz RJNMLFUISIXZDM-VXGBXAGGSA-N 0 0 294.420 3.038 20 10 CGCDRN C/C(=C/C(=O)N1CCCc2c(C)cccc21)c1cnccn1 ZINC000825945072 633391058 /nfs/dbraw/zinc/39/10/58/633391058.db2.gz JPQWZDIMQLFVLS-KAMYIIQDSA-N 0 0 293.370 3.168 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCCc2ccccc21 ZINC000826048620 633400070 /nfs/dbraw/zinc/40/00/70/633400070.db2.gz JBQGKROILZTSSR-UHFFFAOYSA-N 0 0 273.357 3.437 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C1(C(F)F)CCC1 ZINC000869146318 633408040 /nfs/dbraw/zinc/40/80/40/633408040.db2.gz GURAMJMIJYQIBV-UHFFFAOYSA-N 0 0 289.709 3.097 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000826877929 633440139 /nfs/dbraw/zinc/44/01/39/633440139.db2.gz OJLPFCXRKBKDHA-SFHVURJKSA-N 0 0 288.435 3.062 20 10 CGCDRN Cc1ccncc1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000826926647 633444055 /nfs/dbraw/zinc/44/40/55/633444055.db2.gz JJLGKZWOVUWNMZ-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000827320625 633481820 /nfs/dbraw/zinc/48/18/20/633481820.db2.gz KYFGSEUJVGXRRT-LBPRGKRZSA-N 0 0 257.736 3.463 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC1CCC(=O)CC1 ZINC000827377939 633487050 /nfs/dbraw/zinc/48/70/50/633487050.db2.gz IQAPBUOMJIZZDM-UHFFFAOYSA-N 0 0 273.376 3.207 20 10 CGCDRN CCn1ccc(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC000827917896 633534465 /nfs/dbraw/zinc/53/44/65/633534465.db2.gz QKMINYMJFKHGRW-LLVKDONJSA-N 0 0 272.348 3.013 20 10 CGCDRN CO[C@](C)(C(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827936771 633536423 /nfs/dbraw/zinc/53/64/23/633536423.db2.gz CLUORBYOUVVXCW-ACJLOTCBSA-N 0 0 299.370 3.131 20 10 CGCDRN C[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1O ZINC000827941799 633538226 /nfs/dbraw/zinc/53/82/26/633538226.db2.gz YLQDOXBGQNVEPG-SNVBAGLBSA-N 0 0 283.318 3.395 20 10 CGCDRN C[C@H](NC(=O)C[C@H](C)C(F)(F)F)c1ccccc1O ZINC000827955562 633539772 /nfs/dbraw/zinc/53/97/72/633539772.db2.gz AZZMRCDWXJSDKJ-IUCAKERBSA-N 0 0 275.270 3.158 20 10 CGCDRN C[C@@H](NC(=O)[C@@]12C[C@@H]1CCCC2)c1ccccc1O ZINC000827957588 633540495 /nfs/dbraw/zinc/54/04/95/633540495.db2.gz WDJPBCPMHNXTJV-WQGACYEGSA-N 0 0 259.349 3.150 20 10 CGCDRN CCO[C@@H](C(=O)N[C@H](C)c1ccccc1O)C1CCCC1 ZINC000827956937 633540703 /nfs/dbraw/zinc/54/07/03/633540703.db2.gz QGMWXFQYBVYHLP-MLGOLLRUSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)c1cccc2c1O[C@H](C)C2)c1ccccc1O ZINC000827960743 633541419 /nfs/dbraw/zinc/54/14/19/633541419.db2.gz WOPLIARTUCRXKM-NEPJUHHUSA-N 0 0 297.354 3.207 20 10 CGCDRN Cc1ccc(COCC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827960740 633541541 /nfs/dbraw/zinc/54/15/41/633541541.db2.gz WJQPBIHQMOJBDZ-AWEZNQCLSA-N 0 0 299.370 3.095 20 10 CGCDRN CCCc1occc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964777 633542078 /nfs/dbraw/zinc/54/20/78/633542078.db2.gz UXDBWJOEXBUBBY-NSHDSACASA-N 0 0 273.332 3.429 20 10 CGCDRN CCc1oc(C(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC000827973442 633543286 /nfs/dbraw/zinc/54/32/86/633543286.db2.gz PQIQWKGXDLKYMB-NSHDSACASA-N 0 0 273.332 3.347 20 10 CGCDRN C[C@H](NC(=O)CO[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000827978180 633543371 /nfs/dbraw/zinc/54/33/71/633543371.db2.gz JZBRJLXBTYMSJY-XEZPLFJOSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978542 633544007 /nfs/dbraw/zinc/54/40/07/633544007.db2.gz WWGHHYGPFGATNQ-UONOGXRCSA-N 0 0 299.370 3.175 20 10 CGCDRN COc1cccc([C@H](C)C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827978587 633544027 /nfs/dbraw/zinc/54/40/27/633544027.db2.gz XRNZZAWENMZAMM-STQMWFEESA-N 0 0 299.370 3.382 20 10 CGCDRN C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1O ZINC000827986743 633545305 /nfs/dbraw/zinc/54/53/05/633545305.db2.gz QFNNFIQAVJYBDQ-LBPRGKRZSA-N 0 0 281.355 3.372 20 10 CGCDRN CC[C@H](c1ccncc1)N(CC)C(=O)C1=CC(=O)CS1 ZINC000828463610 633616414 /nfs/dbraw/zinc/61/64/14/633616414.db2.gz FPQHFEOBRAJQAL-CYBMUJFWSA-N 0 0 290.388 3.462 20 10 CGCDRN Cc1nn(C)cc1CSc1ncc(-c2ccccc2)n1C ZINC000828808216 633655660 /nfs/dbraw/zinc/65/56/60/633655660.db2.gz ICLFKAORKYMNIM-UHFFFAOYSA-N 0 0 298.415 3.421 20 10 CGCDRN Cc1ccc(CCC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000871199154 633722144 /nfs/dbraw/zinc/72/21/44/633722144.db2.gz TWOKPLDYCFHHIH-UHFFFAOYSA-N 0 0 295.382 3.484 20 10 CGCDRN C/C(=C\C(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000871203224 633723633 /nfs/dbraw/zinc/72/36/33/633723633.db2.gz UWJFSMUQVIBTGG-DHZHZOJOSA-N 0 0 259.349 3.227 20 10 CGCDRN C[C@H](Cc1ccccc1F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203407 633723773 /nfs/dbraw/zinc/72/37/73/633723773.db2.gz ZVSYLDQEXSESRV-GFCCVEGCSA-N 0 0 299.345 3.252 20 10 CGCDRN O=C([C@H](c1ccccc1)C1CC1)N1Cc2cccc(O)c2C1 ZINC000871202779 633723789 /nfs/dbraw/zinc/72/37/89/633723789.db2.gz FWWMICQVDVYADT-GOSISDBHSA-N 0 0 293.366 3.428 20 10 CGCDRN CCc1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871202679 633723834 /nfs/dbraw/zinc/72/38/34/633723834.db2.gz DRNDNLVRTVMLFK-UHFFFAOYSA-N 0 0 281.355 3.040 20 10 CGCDRN CC1(C)C[C@@]1(C(=O)NCc1ccccc1O)c1ccccc1 ZINC000830526293 633868986 /nfs/dbraw/zinc/86/89/86/633868986.db2.gz IMPYGJHOCKZFRQ-IBGZPJMESA-N 0 0 295.382 3.376 20 10 CGCDRN CC1=CC[C@](C)(C(=O)NCc2ccccc2O)CC1 ZINC000830526082 633869344 /nfs/dbraw/zinc/86/93/44/633869344.db2.gz CYBOCFGVMLJAEX-INIZCTEOSA-N 0 0 259.349 3.145 20 10 CGCDRN COc1cccc(CNC(=O)[C@@]2(C)CC=C(C)CC2)c1O ZINC000830537028 633869507 /nfs/dbraw/zinc/86/95/07/633869507.db2.gz ZPQMKPQSICTDKD-KRWDZBQOSA-N 0 0 289.375 3.154 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000830540847 633869701 /nfs/dbraw/zinc/86/97/01/633869701.db2.gz OMKDBEAJYKVPCF-HTTKSJEASA-N 0 0 289.375 3.014 20 10 CGCDRN CO[C@@H](C)c1noc(CNc2ccccc2NC(C)C)n1 ZINC000871846002 633890395 /nfs/dbraw/zinc/89/03/95/633890395.db2.gz OQLLMDCYSCGBJV-NSHDSACASA-N 0 0 290.367 3.209 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)N1CCC[C@H](C)C1 ZINC000871847701 633893753 /nfs/dbraw/zinc/89/37/53/633893753.db2.gz VORYHXRIKKPJKS-AWEZNQCLSA-N 0 0 289.423 3.177 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@@H](C(=O)[O-])[C@H](C)CC)cc1C ZINC000871874962 633906013 /nfs/dbraw/zinc/90/60/13/633906013.db2.gz AWYQRFPNVQNPEC-MLGOLLRUSA-N 0 0 293.407 3.373 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)cc1C ZINC000871877394 633907266 /nfs/dbraw/zinc/90/72/66/633907266.db2.gz ICWWYYOWEKDVBD-OAHLLOKOSA-N 0 0 293.407 3.373 20 10 CGCDRN CCn1ncc(N[C@@H](C)c2cc(F)cc(F)c2O)c1C ZINC000872137031 634060262 /nfs/dbraw/zinc/06/02/62/634060262.db2.gz IXQFPSWOXZIAJD-QMMMGPOBSA-N 0 0 281.306 3.368 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000101596222 634203701 /nfs/dbraw/zinc/20/37/01/634203701.db2.gz GTYDZLBNDWTWMU-UHFFFAOYSA-N 0 0 297.314 3.072 20 10 CGCDRN Cc1cc(N[C@@H]2CCc3cccc(O)c32)cc(OCCO)c1 ZINC000834786996 634242986 /nfs/dbraw/zinc/24/29/86/634242986.db2.gz FUUXDFQOFKKGNS-MRXNPFEDSA-N 0 0 299.370 3.171 20 10 CGCDRN CCCOc1ccc(CN[C@H]2CCn3ccnc32)cc1C ZINC000873129571 634252795 /nfs/dbraw/zinc/25/27/95/634252795.db2.gz RUBSTLHHHWBQMH-HNNXBMFYSA-N 0 0 285.391 3.215 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1ccc(F)cc1[O-] ZINC000834859582 634258017 /nfs/dbraw/zinc/25/80/17/634258017.db2.gz DTXVVINFODBPEE-OAHLLOKOSA-N 0 0 274.339 3.476 20 10 CGCDRN CC[C@](C)(C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834883210 634265327 /nfs/dbraw/zinc/26/53/27/634265327.db2.gz ZWOSMVFHDGJFKW-YMTOWFKASA-N 0 0 273.323 3.136 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000834889245 634268632 /nfs/dbraw/zinc/26/86/32/634268632.db2.gz VRKFAIVWZZMVBJ-ICCXJUOJSA-N 0 0 271.788 3.246 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccc(F)cc1[O-] ZINC000834914493 634286206 /nfs/dbraw/zinc/28/62/06/634286206.db2.gz FUGURGVMLUHWRW-SUHUHFCYSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCCc3ccc(C)nc32)cn1 ZINC000876488886 634845068 /nfs/dbraw/zinc/84/50/68/634845068.db2.gz MHPOKOSATAOEAS-NTMALXAHSA-N 0 0 293.370 3.086 20 10 CGCDRN CCCCc1ccc(CC(=O)NCc2ccc(N)cc2)cc1 ZINC000837303326 634882867 /nfs/dbraw/zinc/88/28/67/634882867.db2.gz HCCYZBAJNKEHKL-UHFFFAOYSA-N 0 0 296.414 3.470 20 10 CGCDRN Cc1ccc(CNc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000876819317 634906097 /nfs/dbraw/zinc/90/60/97/634906097.db2.gz GAJVUMHPUYGXBN-UHFFFAOYSA-N 0 0 298.386 3.149 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc(N2CCOCC2)c1 ZINC000876823659 634908499 /nfs/dbraw/zinc/90/84/99/634908499.db2.gz FHPFYQQKDIMZDU-UHFFFAOYSA-N 0 0 298.386 3.149 20 10 CGCDRN COCCOc1ccccc1NCc1ccc(C)cc1O ZINC000876853329 634914777 /nfs/dbraw/zinc/91/47/77/634914777.db2.gz KUYILNZWLZJCAH-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN CC(C)C[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000837588000 634942978 /nfs/dbraw/zinc/94/29/78/634942978.db2.gz OCLSDNISQVICAC-XOIDGJRKSA-N 0 0 264.321 3.089 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCC(F)(F)C1 ZINC000837589466 634943503 /nfs/dbraw/zinc/94/35/03/634943503.db2.gz ZRRAYWYBIBDUEQ-MORRKMRCSA-N 0 0 298.285 3.090 20 10 CGCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877075788 634973339 /nfs/dbraw/zinc/97/33/39/634973339.db2.gz HLFFIGBIRLHPLZ-ZIAGYGMSSA-N 0 0 286.400 3.405 20 10 CGCDRN Cc1cc2c(cc1C)[C@@H](C(=O)N(C)c1ccc(N)cc1)CO2 ZINC000877075517 634973994 /nfs/dbraw/zinc/97/39/94/634973994.db2.gz DZNVKYLNWBYRND-INIZCTEOSA-N 0 0 296.370 3.025 20 10 CGCDRN CCCn1ncc(C(=O)N(C)c2ccc(N)cc2)c1C1CC1 ZINC000877076983 634974922 /nfs/dbraw/zinc/97/49/22/634974922.db2.gz ZJZTYOJLJMKZLZ-UHFFFAOYSA-N 0 0 298.390 3.029 20 10 CGCDRN COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000877080896 634976550 /nfs/dbraw/zinc/97/65/50/634976550.db2.gz RBKIROUJHSYNQG-GFCCVEGCSA-N 0 0 297.301 3.049 20 10 CGCDRN [O-]c1c(C[NH2+][C@H](c2cccnc2)C2CC2)ccc(F)c1F ZINC000877124710 634992722 /nfs/dbraw/zinc/99/27/22/634992722.db2.gz ZQYNHNVGRSCBJM-HNNXBMFYSA-N 0 0 290.313 3.306 20 10 CGCDRN CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877352498 635030394 /nfs/dbraw/zinc/03/03/94/635030394.db2.gz GWNVSMSHIKIKHN-MRVPVSSYSA-N 0 0 283.240 3.491 20 10 CGCDRN CO[C@@]1(C)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877491243 635058553 /nfs/dbraw/zinc/05/85/53/635058553.db2.gz HRFKAGRTZVWEIO-HNNXBMFYSA-N 0 0 285.334 3.061 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ccc(C)c(C)n2)c1 ZINC000840845160 635063253 /nfs/dbraw/zinc/06/32/53/635063253.db2.gz YLKWHKILNMNCEG-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(C(=O)NC2CC2)cc1 ZINC000877514050 635065655 /nfs/dbraw/zinc/06/56/55/635065655.db2.gz HSAMQYPURZNQFM-UHFFFAOYSA-N 0 0 296.370 3.205 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000840872692 635069943 /nfs/dbraw/zinc/06/99/43/635069943.db2.gz MKTJMDMXEUZLMU-VPOLOUISSA-N 0 0 285.334 3.135 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(OCCCO)cc1 ZINC000877521379 635070765 /nfs/dbraw/zinc/07/07/65/635070765.db2.gz XMXLOQZLEUCQEF-UHFFFAOYSA-N 0 0 287.359 3.074 20 10 CGCDRN [O-]c1c(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc(F)c1F ZINC000877568596 635094809 /nfs/dbraw/zinc/09/48/09/635094809.db2.gz SALMFLDTXIUQSK-WFASDCNBSA-N 0 0 279.330 3.291 20 10 CGCDRN Cc1ccc(CN2CCc3nc(C(C)C)ncc3C2)c(O)c1 ZINC000877650530 635130961 /nfs/dbraw/zinc/13/09/61/635130961.db2.gz SAZALNRPVSBBII-UHFFFAOYSA-N 0 0 297.402 3.172 20 10 CGCDRN C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300115 635149837 /nfs/dbraw/zinc/14/98/37/635149837.db2.gz NYRXVKYAEBCXOP-NEPJUHHUSA-N 0 0 261.369 3.311 20 10 CGCDRN CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(N)cc1 ZINC000841300833 635150159 /nfs/dbraw/zinc/15/01/59/635150159.db2.gz WRPKKVZSBYQVTF-UHFFFAOYSA-N 0 0 284.363 3.106 20 10 CGCDRN C[C@@H](CNC(=O)Nc1ccc(N)cc1)Cc1cccs1 ZINC000841300918 635151290 /nfs/dbraw/zinc/15/12/90/635151290.db2.gz WVXUZFDIRCRALL-LLVKDONJSA-N 0 0 289.404 3.331 20 10 CGCDRN COc1cccc(CN2Cc3cccc(O)c3C2)c1F ZINC000877703186 635155848 /nfs/dbraw/zinc/15/58/48/635155848.db2.gz VHHCWVNRUZRVNJ-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)OCCCF ZINC000841571394 635192775 /nfs/dbraw/zinc/19/27/75/635192775.db2.gz YCEUFGZVMIKVBO-CYBMUJFWSA-N 0 0 296.386 3.078 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(Cl)cc1[O-] ZINC000841753035 635227457 /nfs/dbraw/zinc/22/74/57/635227457.db2.gz XIUZLUZGKCQZKJ-CMPLNLGQSA-N 0 0 269.772 3.265 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)ccc1O)N2 ZINC000877864991 635246459 /nfs/dbraw/zinc/24/64/59/635246459.db2.gz VLDHYGWDFHXBCD-CQSZACIVSA-N 0 0 288.734 3.208 20 10 CGCDRN CC(C)c1nnc(COc2ccc(N(C)C)cc2)s1 ZINC000842044676 635264134 /nfs/dbraw/zinc/26/41/34/635264134.db2.gz WERXGZPJSQSVTP-UHFFFAOYSA-N 0 0 277.393 3.307 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CC(C)(C)CC(F)F ZINC000878277327 635442400 /nfs/dbraw/zinc/44/24/00/635442400.db2.gz RRROIPGZEIQZFC-UHFFFAOYSA-N 0 0 285.334 3.422 20 10 CGCDRN CC[C@H](N[C@@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000842926005 635513398 /nfs/dbraw/zinc/51/33/98/635513398.db2.gz OKRACEJQWNDRAI-JSGCOSHPSA-N 0 0 293.407 3.472 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000842926738 635513616 /nfs/dbraw/zinc/51/36/16/635513616.db2.gz BFSGBHUFTFUJNC-UTLUCORTSA-N 0 0 289.297 3.239 20 10 CGCDRN Cn1c2ccc(OC(=O)c3cocn3)cc2c2c1CCCC2 ZINC000843019292 635542581 /nfs/dbraw/zinc/54/25/81/635542581.db2.gz OQNASXQXJKHJCA-UHFFFAOYSA-N 0 0 296.326 3.264 20 10 CGCDRN C[C@@H]1CC[C@@H](Cc2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158660 635587638 /nfs/dbraw/zinc/58/76/38/635587638.db2.gz FZCZPHRODPMPHL-DGCLKSJQSA-N 0 0 271.364 3.221 20 10 CGCDRN CCC(CC)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843158452 635587864 /nfs/dbraw/zinc/58/78/64/635587864.db2.gz CXPSJLASRVGUGG-UHFFFAOYSA-N 0 0 259.353 3.221 20 10 CGCDRN Nc1ccc(Cc2noc(CC3CCCCC3)n2)cc1 ZINC000843160463 635589059 /nfs/dbraw/zinc/58/90/59/635589059.db2.gz YOIPTEMRTVKXHK-UHFFFAOYSA-N 0 0 271.364 3.365 20 10 CGCDRN C[C@H](c1noc(Cc2ccc(N)cc2)n1)C(C)(C)C ZINC000843190355 635605805 /nfs/dbraw/zinc/60/58/05/635605805.db2.gz YOMOODULLNLTGZ-SNVBAGLBSA-N 0 0 259.353 3.392 20 10 CGCDRN CC1(Cc2noc(Cc3ccc(N)cc3)n2)CCCC1 ZINC000843233090 635620179 /nfs/dbraw/zinc/62/01/79/635620179.db2.gz WMLMXMJPNILOLD-UHFFFAOYSA-N 0 0 271.364 3.365 20 10 CGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1cc(OC)ccc1O ZINC000878852149 635643123 /nfs/dbraw/zinc/64/31/23/635643123.db2.gz FAQCILUALBHMNB-CXAGYDPISA-N 0 0 291.391 3.233 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843417188 635663508 /nfs/dbraw/zinc/66/35/08/635663508.db2.gz QRNMWEGXXIVPBD-UKRRQHHQSA-N 0 0 295.810 3.437 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC2(CCC2)O1 ZINC000843433438 635674041 /nfs/dbraw/zinc/67/40/41/635674041.db2.gz ZXOKLWUSOIECCS-NSHDSACASA-N 0 0 281.783 3.189 20 10 CGCDRN CC[N@H+](CCSC)Cc1cccc(Cl)c1[O-] ZINC000843437380 635676203 /nfs/dbraw/zinc/67/62/03/635676203.db2.gz FWFCPKBVAGNBHT-UHFFFAOYSA-N 0 0 259.802 3.231 20 10 CGCDRN Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648267 635825270 /nfs/dbraw/zinc/82/52/70/635825270.db2.gz HTQQEPXQIRWUGT-CQSZACIVSA-N 0 0 298.386 3.298 20 10 CGCDRN CCCCc1nc(CN(C)c2ccc(OC)cc2)no1 ZINC000844353695 635878148 /nfs/dbraw/zinc/87/81/48/635878148.db2.gz VQYKSSHPUORLPE-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844922428 635984750 /nfs/dbraw/zinc/98/47/50/635984750.db2.gz FAAVVYPVIZPAGO-UWVGGRQHSA-N 0 0 284.787 3.279 20 10 CGCDRN CC1(CNC(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000845028648 635999714 /nfs/dbraw/zinc/99/97/14/635999714.db2.gz ZAIVDRCDQFQADC-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN Cc1nc(C(C)C)ncc1C(=O)N[C@@H](C)c1ccccc1O ZINC000881440469 636109568 /nfs/dbraw/zinc/10/95/68/636109568.db2.gz CDHGOZPGHJQJHL-NSHDSACASA-N 0 0 299.374 3.105 20 10 CGCDRN COc1ccc(N(C)Cc2c(O)cccc2OC)cc1 ZINC000845998040 636127509 /nfs/dbraw/zinc/12/75/09/636127509.db2.gz JBAJDLINMZSSTF-UHFFFAOYSA-N 0 0 273.332 3.046 20 10 CGCDRN COc1cccc([C@@H](C)Nc2cnn(CC(F)F)c2)c1O ZINC000846161321 636151301 /nfs/dbraw/zinc/15/13/01/636151301.db2.gz XTUAIRMACVYILH-SECBINFHSA-N 0 0 297.305 3.036 20 10 CGCDRN COc1cccc([C@@H](C)N[C@H]2CCCC2(F)F)c1O ZINC000846172670 636153096 /nfs/dbraw/zinc/15/30/96/636153096.db2.gz OEQHPHXVNKAJPO-SKDRFNHKSA-N 0 0 271.307 3.239 20 10 CGCDRN CC(C)C[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473666 636187049 /nfs/dbraw/zinc/18/70/49/636187049.db2.gz NUSMQMNVJJFLKO-SNVBAGLBSA-N 0 0 269.772 3.344 20 10 CGCDRN C[C@H]1CCC[C@]1(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475311 636187961 /nfs/dbraw/zinc/18/79/61/636187961.db2.gz BYWGYGYJYWLJQZ-BONVTDFDSA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CCC1 ZINC000846476600 636188974 /nfs/dbraw/zinc/18/89/74/636188974.db2.gz NPBZVBIDZUKCHI-SECBINFHSA-N 0 0 267.756 3.098 20 10 CGCDRN Oc1ccccc1CN(Cc1cnsn1)C1CCCC1 ZINC000846804416 636245766 /nfs/dbraw/zinc/24/57/66/636245766.db2.gz KNRIKVUFGMMHHI-UHFFFAOYSA-N 0 0 289.404 3.189 20 10 CGCDRN C[C@@H]1c2sccc2CCN1C(=O)C1=CC(=O)CS1 ZINC000882185814 636286939 /nfs/dbraw/zinc/28/69/39/636286939.db2.gz JMASNJDLUTXXOP-MRVPVSSYSA-N 0 0 279.386 3.275 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1OCc2ccccc21 ZINC000847570796 636399389 /nfs/dbraw/zinc/39/93/89/636399389.db2.gz SOGWUZNXQBEROU-KRWDZBQOSA-N 0 0 297.354 3.012 20 10 CGCDRN COc1ccc(N(C)Cc2cccc3c2NCC3)cc1 ZINC000130538160 636472379 /nfs/dbraw/zinc/47/23/79/636472379.db2.gz NRRWNZNQDDDFLI-UHFFFAOYSA-N 0 0 268.360 3.300 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCc1ccc(O)cc1 ZINC000883011694 636505466 /nfs/dbraw/zinc/50/54/66/636505466.db2.gz GGNAGCQACYJNTG-UHFFFAOYSA-N 0 0 293.313 3.098 20 10 CGCDRN COC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(C)o1 ZINC000883027214 636511792 /nfs/dbraw/zinc/51/17/92/636511792.db2.gz SYBWMLPEROOVQT-ZDUSSCGKSA-N 0 0 297.301 3.049 20 10 CGCDRN Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883074273 636529534 /nfs/dbraw/zinc/52/95/34/636529534.db2.gz RXVUIIGCQYZEMG-QMMMGPOBSA-N 0 0 296.317 3.169 20 10 CGCDRN CCc1cccc(CNc2cccc(CC(=O)OC)c2)c1O ZINC000848900116 636681393 /nfs/dbraw/zinc/68/13/93/636681393.db2.gz AZXHQUIGZRXRHJ-UHFFFAOYSA-N 0 0 299.370 3.282 20 10 CGCDRN CCc1cccc(CNc2ccc(C(=O)N(C)C)cc2)c1O ZINC000848908356 636685087 /nfs/dbraw/zinc/68/50/87/636685087.db2.gz RQJKJPHIRKSFLY-UHFFFAOYSA-N 0 0 298.386 3.269 20 10 CGCDRN CCc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1O ZINC000848911194 636686418 /nfs/dbraw/zinc/68/64/18/636686418.db2.gz RKEKVKBTMHOFKR-RHSMWYFYSA-N 0 0 291.435 3.470 20 10 CGCDRN CCc1cccc(CN[C@@H](CC)C(=O)OC(C)(C)C)c1O ZINC000848919509 636691667 /nfs/dbraw/zinc/69/16/67/636691667.db2.gz MFBZFFQZCFCDEM-AWEZNQCLSA-N 0 0 293.407 3.165 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000883356981 636699312 /nfs/dbraw/zinc/69/93/12/636699312.db2.gz AAZJZROCZMPXRM-PWSUYJOCSA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cc(F)cc(F)c1[O-] ZINC000883366020 636707752 /nfs/dbraw/zinc/70/77/52/636707752.db2.gz LLVSZDJPHRAYPJ-JJMVLAAESA-N 0 0 297.345 3.423 20 10 CGCDRN CCCCNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028159 636721991 /nfs/dbraw/zinc/72/19/91/636721991.db2.gz CVQQQFVNGZGWTE-UHFFFAOYSA-N 0 0 290.194 3.113 20 10 CGCDRN Cc1cc(Br)c(O)c(CN[C@H](C)C(F)F)c1 ZINC000883407313 636746483 /nfs/dbraw/zinc/74/64/83/636746483.db2.gz RELSOVSPOGSSLA-SSDOTTSWSA-N 0 0 294.139 3.206 20 10 CGCDRN C=C/C=C/CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000883581646 636796109 /nfs/dbraw/zinc/79/61/09/636796109.db2.gz BPUMLDLBBVADFI-UZYOAWRESA-N 0 0 287.407 3.245 20 10 CGCDRN C[C@H](NC(=O)NCC1(C)CC(F)(F)C1)c1ccccc1O ZINC000883810140 636847717 /nfs/dbraw/zinc/84/77/17/636847717.db2.gz BCZAPDZZCROOOE-JTQLQIEISA-N 0 0 298.333 3.188 20 10 CGCDRN COc1ccc(O)c(CN(C)c2ccc(C)cc2)c1 ZINC000132943094 636854583 /nfs/dbraw/zinc/85/45/83/636854583.db2.gz WHXKULYEFDWCKE-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN CCC[C@@H](C)CCNC(=O)N(C)Cc1ccccc1O ZINC000883874542 636866322 /nfs/dbraw/zinc/86/63/22/636866322.db2.gz YDFXPHLSJSATQY-CYBMUJFWSA-N 0 0 278.396 3.360 20 10 CGCDRN CCOc1cc(CN(C)c2ccc(OC)cc2)ccc1O ZINC000133064204 636869116 /nfs/dbraw/zinc/86/91/16/636869116.db2.gz ABCQOOHWSJRJKJ-UHFFFAOYSA-N 0 0 287.359 3.436 20 10 CGCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)N1CCCCC1 ZINC000849997730 636924315 /nfs/dbraw/zinc/92/43/15/636924315.db2.gz DHZKGWXRFMAIBJ-QMMMGPOBSA-N 0 0 290.841 3.290 20 10 CGCDRN CCOC(=O)/C=C\CSc1ncc(Cl)s1 ZINC000850000025 636925082 /nfs/dbraw/zinc/92/50/82/636925082.db2.gz GZXHRQWSKLJEMO-ARJAWSKDSA-N 0 0 263.771 3.008 20 10 CGCDRN Cn1cncc1CCCSc1ncc(Cl)s1 ZINC000850002210 636926073 /nfs/dbraw/zinc/92/60/73/636926073.db2.gz WJSYYRCYUSTERU-UHFFFAOYSA-N 0 0 273.814 3.255 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccccc1O)CC(C)(C)C ZINC000133752180 636972715 /nfs/dbraw/zinc/97/27/15/636972715.db2.gz XNFBBTHXFBSTAN-LBPRGKRZSA-N 0 0 263.381 3.471 20 10 CGCDRN COc1cc(CNCC(F)F)c(O)c(C(C)(C)C)c1 ZINC000850295603 637009195 /nfs/dbraw/zinc/00/91/95/637009195.db2.gz YIQCWOOOXBURPX-UHFFFAOYSA-N 0 0 273.323 3.053 20 10 CGCDRN CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000850381319 637040171 /nfs/dbraw/zinc/04/01/71/637040171.db2.gz AWYPRGMGJGVQPN-LLVKDONJSA-N 0 0 257.736 3.463 20 10 CGCDRN CCOc1ccc(CNc2ccc3c(c2)CCOC3)c(O)c1 ZINC000850381906 637040654 /nfs/dbraw/zinc/04/06/54/637040654.db2.gz KLUFILBVJQHLLS-UHFFFAOYSA-N 0 0 299.370 3.476 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850393254 637045377 /nfs/dbraw/zinc/04/53/77/637045377.db2.gz QMWWJMLKSQSPLH-PTEHBNRSSA-N 0 0 296.208 3.351 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850536541 637112959 /nfs/dbraw/zinc/11/29/59/637112959.db2.gz KZMVBLBPNFZSOP-MADCSZMMSA-N 0 0 277.261 3.366 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cc(C3CC3)no2)cc1 ZINC000851720296 637475251 /nfs/dbraw/zinc/47/52/51/637475251.db2.gz GBJOWBJTPGUOEN-UHFFFAOYSA-N 0 0 285.391 3.250 20 10 CGCDRN CCN(C[C@@H](OC)C1CCC1)c1ccc(OC)c(OC)c1 ZINC000851829232 637516694 /nfs/dbraw/zinc/51/66/94/637516694.db2.gz XCVXIOPNOACFIN-QGZVFWFLSA-N 0 0 293.407 3.345 20 10 CGCDRN COc1cc(CN(CC(C)C)c2ccc(OC)cc2)on1 ZINC000851830536 637517042 /nfs/dbraw/zinc/51/70/42/637517042.db2.gz YQZTWBXQJKWRGI-UHFFFAOYSA-N 0 0 290.363 3.354 20 10 CGCDRN C[C@H]([NH2+]CCc1cccs1)c1c([O-])cccc1F ZINC000886489562 637538618 /nfs/dbraw/zinc/53/86/18/637538618.db2.gz LVUDYEREBCPGAP-JTQLQIEISA-N 0 0 265.353 3.486 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1c([O-])cccc1F ZINC000886508579 637545235 /nfs/dbraw/zinc/54/52/35/637545235.db2.gz FNZVIUSJRUPNHP-BONVTDFDSA-N 0 0 293.313 3.055 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886532886 637558743 /nfs/dbraw/zinc/55/87/43/637558743.db2.gz QGWQRQIASYBCDX-GHMZBOCLSA-N 0 0 269.360 3.386 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCSC1)c1c([O-])cccc1F ZINC000886537196 637562450 /nfs/dbraw/zinc/56/24/50/637562450.db2.gz VUMDJIJPOFKPPN-ZJUUUORDSA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1c([O-])cccc1F ZINC000886631667 637620128 /nfs/dbraw/zinc/62/01/28/637620128.db2.gz SYYZLXRFJKWKMC-PIGZYNQJSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1c([O-])cccc1F ZINC000886638655 637623635 /nfs/dbraw/zinc/62/36/35/637623635.db2.gz ZCQDSOOZWGLBAM-KCJUWKMLSA-N 0 0 273.298 3.473 20 10 CGCDRN C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1c([O-])cccc1F ZINC000886640128 637625060 /nfs/dbraw/zinc/62/50/60/637625060.db2.gz SHQAVIRSKNMJRJ-BGMSHATGSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H](NCc1ncc(Cl)s1)c1c(O)cccc1F ZINC000886650578 637630187 /nfs/dbraw/zinc/63/01/87/637630187.db2.gz ZCCXBZWKUIJCQF-ZETCQYMHSA-N 0 0 286.759 3.492 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ccnc(C(C)C)n2)c1 ZINC000110540763 637633099 /nfs/dbraw/zinc/63/30/99/637633099.db2.gz UNLIIWCTJRLWTK-LLVKDONJSA-N 0 0 287.363 3.487 20 10 CGCDRN C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000853238208 637789901 /nfs/dbraw/zinc/78/99/01/637789901.db2.gz CESYEVQSXWIAJG-NOEPWBJOSA-N 0 0 299.361 3.262 20 10 CGCDRN CCOC(=O)c1cnc(SCC=C(C)C)s1 ZINC000853546295 637865630 /nfs/dbraw/zinc/86/56/30/637865630.db2.gz ZAHAMMWIZVVSBA-UHFFFAOYSA-N 0 0 257.380 3.378 20 10 CGCDRN CCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854176089 638008128 /nfs/dbraw/zinc/00/81/28/638008128.db2.gz IOAPTHPYSBEITE-UHFFFAOYSA-N 0 0 270.376 3.163 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112463638 638081928 /nfs/dbraw/zinc/08/19/28/638081928.db2.gz SNPGTKJEGSTRAP-GHMZBOCLSA-N 0 0 294.395 3.196 20 10 CGCDRN CCN(CC)c1ccc(CN(C)CC(F)F)cc1 ZINC000113499042 638224299 /nfs/dbraw/zinc/22/42/99/638224299.db2.gz CDLDNHMCKRGHCI-UHFFFAOYSA-N 0 0 256.340 3.230 20 10 CGCDRN CCC1(CC)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000855822117 638258988 /nfs/dbraw/zinc/25/89/88/638258988.db2.gz ZQNUNINISSFCJS-UHFFFAOYSA-N 0 0 267.394 3.496 20 10 CGCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)CCC(C)C)c1 ZINC000114582208 638380369 /nfs/dbraw/zinc/38/03/69/638380369.db2.gz SKVZHRBKXXNUDK-GFCCVEGCSA-N 0 0 294.395 3.025 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000857060314 638447747 /nfs/dbraw/zinc/44/77/47/638447747.db2.gz PTJGVLUYJBZBSB-QMMMGPOBSA-N 0 0 279.689 3.320 20 10 CGCDRN Cc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547747 638516373 /nfs/dbraw/zinc/51/63/73/638516373.db2.gz RTQYOIXKTHODGI-UHFFFAOYSA-N 0 0 289.762 3.213 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1 ZINC000115640460 638574730 /nfs/dbraw/zinc/57/47/30/638574730.db2.gz IVFJMBINWNLLKX-UHFFFAOYSA-N 0 0 283.375 3.383 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000858271962 638669592 /nfs/dbraw/zinc/66/95/92/638669592.db2.gz QDGYTDSVFNNJRF-LBPRGKRZSA-N 0 0 276.336 3.136 20 10 CGCDRN Cc1cscc1CNC(=O)NCc1cc(C)ccc1O ZINC000858402142 638704729 /nfs/dbraw/zinc/70/47/29/638704729.db2.gz WVIMXTFMKFIOOX-UHFFFAOYSA-N 0 0 290.388 3.070 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000858487829 638738879 /nfs/dbraw/zinc/73/88/79/638738879.db2.gz JDCKUMOKPMLUGR-SSDMNJCBSA-N 0 0 288.391 3.079 20 10 CGCDRN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1c([O-])cccc1F ZINC000927159361 638848747 /nfs/dbraw/zinc/84/87/47/638848747.db2.gz NNIDWWAARIFQBL-RISCZKNCSA-N 0 0 279.355 3.284 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCCC2(F)F)cc1 ZINC000929404681 638923912 /nfs/dbraw/zinc/92/39/12/638923912.db2.gz LFWGRHQUUQFOQK-CYBMUJFWSA-N 0 0 296.361 3.194 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)OCCF ZINC000858885429 639037274 /nfs/dbraw/zinc/03/72/74/639037274.db2.gz AADWMXSYZUXVDS-UHFFFAOYSA-N 0 0 294.370 3.215 20 10 CGCDRN C/C=C/CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000858889702 639038029 /nfs/dbraw/zinc/03/80/29/639038029.db2.gz IWVBEBZJUWDJSP-VMPITWQZSA-N 0 0 289.423 3.250 20 10 CGCDRN CN(C)c1ccc(CN2CC[C@H](O)c3ccccc32)cc1 ZINC000934074828 639530028 /nfs/dbraw/zinc/53/00/28/639530028.db2.gz ZHOJTZMXSOOAOH-SFHVURJKSA-N 0 0 282.387 3.196 20 10 CGCDRN CCc1nccc(C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000934486371 639620207 /nfs/dbraw/zinc/62/02/07/639620207.db2.gz CIWDJDKHOOSEBV-UHFFFAOYSA-N 0 0 297.358 3.206 20 10 CGCDRN O=C(/C=C\C1CCCC1)NCc1ccc2cccnc2c1O ZINC000862024808 639635308 /nfs/dbraw/zinc/63/53/08/639635308.db2.gz HFOKFMIFQKZKJV-YFHOEESVSA-N 0 0 296.370 3.303 20 10 CGCDRN CN1C(=O)/C(=C/c2cccc(Cl)c2F)SC1=S ZINC000159910217 640077043 /nfs/dbraw/zinc/07/70/43/640077043.db2.gz GLOPUGBNYMYPRB-YVMONPNESA-N 0 0 287.768 3.310 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000049122736 640083787 /nfs/dbraw/zinc/08/37/87/640083787.db2.gz FMCKHUSHMOXPIJ-BXUZGUMPSA-N 0 0 261.369 3.359 20 10 CGCDRN CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188423270 640135884 /nfs/dbraw/zinc/13/58/84/640135884.db2.gz CKIXLHLSWBOIHK-GHMZBOCLSA-N 0 0 277.364 3.137 20 10 CGCDRN Brc1cc(CSc2nccs2)on1 ZINC000189471363 640193751 /nfs/dbraw/zinc/19/37/51/640193751.db2.gz DPRKRPHZUVEFHG-UHFFFAOYSA-N 0 0 277.168 3.186 20 10 CGCDRN COc1ccc(N(Cc2ncccn2)C(C)C)cc1F ZINC000192097667 640348557 /nfs/dbraw/zinc/34/85/57/640348557.db2.gz NCWMGJQSYQZRKN-UHFFFAOYSA-N 0 0 275.327 3.039 20 10 CGCDRN CC[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000079357316 640396615 /nfs/dbraw/zinc/39/66/15/640396615.db2.gz QUPVYRZIIOSXPF-GFCCVEGCSA-N 0 0 261.369 3.313 20 10 CGCDRN Cc1csc2c1ncnc2N(C)Cc1ccccc1O ZINC000192727915 640400657 /nfs/dbraw/zinc/40/06/57/640400657.db2.gz ILMTUJKDHZFLCR-UHFFFAOYSA-N 0 0 285.372 3.342 20 10 CGCDRN CCC[C@@H](CC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000195285435 640576732 /nfs/dbraw/zinc/57/67/32/640576732.db2.gz PVYWVDPFKPFGHG-OAHLLOKOSA-N 0 0 291.439 3.473 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cccc2cc[nH]c21 ZINC000088732924 640621857 /nfs/dbraw/zinc/62/18/57/640621857.db2.gz LNHMZEQMWVBSAG-UHFFFAOYSA-N 0 0 280.327 3.146 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CO1 ZINC000245541648 640625687 /nfs/dbraw/zinc/62/56/87/640625687.db2.gz OOXKRSAQVAQPOT-JKSUJKDBSA-N 0 0 288.435 3.286 20 10 CGCDRN CCOc1ccc2nc(-c3ccc(O)c(O)c3)n(C)c2c1 ZINC001250465096 805633905 /nfs/dbraw/zinc/63/39/05/805633905.db2.gz YDNRSHHBHNVSIS-UHFFFAOYSA-N 0 0 284.315 3.050 20 10 CGCDRN O=C(CCCC1CCCCC1)NCc1c(O)cccc1O ZINC001156880835 805745553 /nfs/dbraw/zinc/74/55/53/805745553.db2.gz CXRBFPXJGUNGOT-UHFFFAOYSA-N 0 0 291.391 3.465 20 10 CGCDRN CCn1c2ccc(C)cc2nc1-c1cc(O)c(O)cc1O ZINC001251355582 805886807 /nfs/dbraw/zinc/88/68/07/805886807.db2.gz VDARPXGTFWNUTC-UHFFFAOYSA-N 0 0 284.315 3.148 20 10 CGCDRN Cc1ccc(Cl)nc1NCc1ccc(O)c(O)c1 ZINC001158994779 806028730 /nfs/dbraw/zinc/02/87/30/806028730.db2.gz VTFNNEULGABHFN-UHFFFAOYSA-N 0 0 264.712 3.067 20 10 CGCDRN Oc1ccc(CNc2nc(Cl)ccc2Cl)cc1O ZINC001158995764 806029243 /nfs/dbraw/zinc/02/92/43/806029243.db2.gz OQOXARLHIAPOCV-UHFFFAOYSA-N 0 0 285.130 3.412 20 10 CGCDRN Oc1ccc(/C=C/c2nnc(Cc3ccccc3)o2)cc1O ZINC001253518948 806231030 /nfs/dbraw/zinc/23/10/30/806231030.db2.gz VXYHTYUHPPSESR-VQHVLOKHSA-N 0 0 294.310 3.242 20 10 CGCDRN CCOC(=O)c1c(F)cc(F)cc1Nc1ccc(N)cc1 ZINC001160323303 806256869 /nfs/dbraw/zinc/25/68/69/806256869.db2.gz NKOIHXHZOMAHAK-UHFFFAOYSA-N 0 0 292.285 3.467 20 10 CGCDRN Cc1cccc(CNc2nc(Cl)nc3c2CCC3)c1O ZINC001160764828 806300389 /nfs/dbraw/zinc/30/03/89/806300389.db2.gz OMLWBKODJARJBY-UHFFFAOYSA-N 0 0 289.766 3.245 20 10 CGCDRN Cc1cc(C)c(CNc2ccc(Cl)c(N)n2)c(O)c1 ZINC001160811758 806307684 /nfs/dbraw/zinc/30/76/84/806307684.db2.gz WNKZEAASCFEOTE-UHFFFAOYSA-N 0 0 277.755 3.252 20 10 CGCDRN Cc1cccc(-c2cn(CCc3ccc(N)cc3)nn2)c1 ZINC001254081563 806339668 /nfs/dbraw/zinc/33/96/68/806339668.db2.gz VVUVIISDYMKMDW-UHFFFAOYSA-N 0 0 278.359 3.078 20 10 CGCDRN COc1cccc2ccc(NCc3ccc(N)cc3)nc21 ZINC001162783981 806665168 /nfs/dbraw/zinc/66/51/68/806665168.db2.gz DMDZPAPYRKVEKM-UHFFFAOYSA-N 0 0 279.343 3.438 20 10 CGCDRN Cc1nc(NCc2ccc(N)cc2)cc(-c2ccncc2)n1 ZINC001162787489 806665761 /nfs/dbraw/zinc/66/57/61/806665761.db2.gz LXDGNRWREYFZRZ-UHFFFAOYSA-N 0 0 291.358 3.041 20 10 CGCDRN Nc1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC001162787506 806665989 /nfs/dbraw/zinc/66/59/89/806665989.db2.gz MCHDWBYBWZDLAI-UHFFFAOYSA-N 0 0 294.333 3.477 20 10 CGCDRN CSc1ncc(Cl)nc1NCc1ccc(N)cc1 ZINC001162787778 806666108 /nfs/dbraw/zinc/66/61/08/806666108.db2.gz QLDYWEJZYRYAQR-UHFFFAOYSA-N 0 0 280.784 3.046 20 10 CGCDRN Nc1ccc(CNc2ncc3ccc(Cl)cc3n2)cc1 ZINC001162785422 806666169 /nfs/dbraw/zinc/66/61/69/806666169.db2.gz DDTFEHPZIMYVMW-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2C)c1 ZINC000037061649 798857298 /nfs/dbraw/zinc/85/72/98/798857298.db2.gz HUEQCHWMGJAYSJ-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN C/C(=C\C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000057149981 798899907 /nfs/dbraw/zinc/89/99/07/798899907.db2.gz UOJOVNMWSKYBOX-WYMLVPIESA-N 0 0 284.403 3.259 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(C(=O)N(C)C)c2)c1 ZINC000071407680 798917397 /nfs/dbraw/zinc/91/73/97/798917397.db2.gz IBNGGOJYOAWHRL-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN CNC(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1C ZINC000122475357 798991690 /nfs/dbraw/zinc/99/16/90/798991690.db2.gz VKAZRZPBQMSGBI-UHFFFAOYSA-N 0 0 297.402 3.033 20 10 CGCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000161296652 799079070 /nfs/dbraw/zinc/07/90/70/799079070.db2.gz RMSZWHDIHKMYFU-NXEZZACHSA-N 0 0 284.197 3.385 20 10 CGCDRN CC(C)SCC[NH2+]Cc1cc(Cl)ccc1O ZINC000380769021 799366870 /nfs/dbraw/zinc/36/68/70/799366870.db2.gz YIJNUNXDICMCNP-UHFFFAOYSA-N 0 0 259.802 3.277 20 10 CGCDRN Nc1ccc(F)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000386663697 799438555 /nfs/dbraw/zinc/43/85/55/799438555.db2.gz AXAPRXDPFKEDAB-UHFFFAOYSA-N 0 0 299.349 3.260 20 10 CGCDRN Nc1ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1 ZINC000391061632 799477114 /nfs/dbraw/zinc/47/71/14/799477114.db2.gz PZQYGJJDUMRSGB-JTQLQIEISA-N 0 0 283.322 3.216 20 10 CGCDRN COc1ccc(CN[C@@H](C)c2nnc(C)s2)cc1C ZINC000391816194 799479136 /nfs/dbraw/zinc/47/91/36/799479136.db2.gz QJKDNOVUTHNSKE-JTQLQIEISA-N 0 0 277.393 3.014 20 10 CGCDRN CC[C@@H](C)[C@H](C[NH2+][C@@H](CC)c1ccccc1O)OC ZINC000394461652 799497162 /nfs/dbraw/zinc/49/71/62/799497162.db2.gz VRYMYPYQLULXOZ-INWMFGNUSA-N 0 0 265.397 3.494 20 10 CGCDRN COc1ccc(O)c([C@@H](C)N[C@H]2CCCC2(F)F)c1 ZINC000397990414 799524204 /nfs/dbraw/zinc/52/42/04/799524204.db2.gz IGWQQZJSSWBCSK-RNCFNFMXSA-N 0 0 271.307 3.239 20 10 CGCDRN C[C@H]1COCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000398902504 799533179 /nfs/dbraw/zinc/53/31/79/799533179.db2.gz DXPSQSNAQVJDGB-VIFPVBQESA-N 0 0 290.190 3.310 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1C ZINC000588403530 799689241 /nfs/dbraw/zinc/68/92/41/799689241.db2.gz NFPOWDZRDJISHD-NVUORYMYSA-N 0 0 289.375 3.052 20 10 CGCDRN CC(C)(C)CCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407311 799690241 /nfs/dbraw/zinc/69/02/41/799690241.db2.gz VUNKMBBXSPVLMK-VURMDHGXSA-N 0 0 277.364 3.054 20 10 CGCDRN CCc1cc(O)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588583780 799717109 /nfs/dbraw/zinc/71/71/09/799717109.db2.gz UPDAEHHOFAGDSA-YWEYNIOJSA-N 0 0 299.326 3.018 20 10 CGCDRN C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1cscn1 ZINC000697821813 799849613 /nfs/dbraw/zinc/84/96/13/799849613.db2.gz PDUAVZZJXUJTMI-RKDXNWHRSA-N 0 0 266.341 3.400 20 10 CGCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000700725829 799877399 /nfs/dbraw/zinc/87/73/99/799877399.db2.gz VSRAGWKALQWCPG-NXEZZACHSA-N 0 0 255.308 3.196 20 10 CGCDRN C[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000700726183 799877707 /nfs/dbraw/zinc/87/77/07/799877707.db2.gz VSRAGWKALQWCPG-UWVGGRQHSA-N 0 0 255.308 3.196 20 10 CGCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1nccs1 ZINC000703341870 799922754 /nfs/dbraw/zinc/92/27/54/799922754.db2.gz QRRYVOUJQPVLIE-QMMMGPOBSA-N 0 0 284.331 3.020 20 10 CGCDRN CCC(CC)[N@H+](CCOC)Cc1cc(F)cc(F)c1[O-] ZINC000708433155 799989180 /nfs/dbraw/zinc/98/91/80/799989180.db2.gz IAGYDZXIWTYWLV-UHFFFAOYSA-N 0 0 287.350 3.307 20 10 CGCDRN C[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708548457 799992447 /nfs/dbraw/zinc/99/24/47/799992447.db2.gz FUTLILOKGBVNJR-CABZTGNLSA-N 0 0 255.308 3.339 20 10 CGCDRN Cc1cnc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000708548467 799992676 /nfs/dbraw/zinc/99/26/76/799992676.db2.gz FYLVGCIEIWTUPQ-QMMMGPOBSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(F)cc1[O-] ZINC000722337586 800315946 /nfs/dbraw/zinc/31/59/46/800315946.db2.gz NINYMTXAOXKBKC-YNZJMPHRSA-N 0 0 279.355 3.140 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723997150 800350061 /nfs/dbraw/zinc/35/00/61/800350061.db2.gz SKWQLQAZRYRQES-UKRRQHHQSA-N 0 0 295.810 3.340 20 10 CGCDRN Nc1ccc(Cc2ccccc2Nc2cncnc2)cc1 ZINC001174387365 808988432 /nfs/dbraw/zinc/98/84/32/808988432.db2.gz WGLKZUXKLIYLSM-UHFFFAOYSA-N 0 0 276.343 3.393 20 10 CGCDRN Nc1ccc(NC(=O)c2cc3cc(N)ccc3s2)cc1 ZINC001121815669 802846558 /nfs/dbraw/zinc/84/65/58/802846558.db2.gz LPCFPRBLBGDDIL-UHFFFAOYSA-N 0 0 283.356 3.318 20 10 CGCDRN COc1nccc(SC)c1-c1cnc2ccn(C)c2c1 ZINC001243727903 802967960 /nfs/dbraw/zinc/96/79/60/802967960.db2.gz QBUBAUMQGLFGIW-UHFFFAOYSA-N 0 0 285.372 3.366 20 10 CGCDRN Cc1cc(F)ncc1-c1cc(=O)n(C)c2ccccc12 ZINC001243760720 802986346 /nfs/dbraw/zinc/98/63/46/802986346.db2.gz AWPAEYNOMIAQFG-UHFFFAOYSA-N 0 0 268.291 3.048 20 10 CGCDRN CCCC[C@@H](C(=O)NCc1cccc(O)c1O)C(C)C ZINC001123977687 802986670 /nfs/dbraw/zinc/98/66/70/802986670.db2.gz LLNPYJJDKMAVGC-CYBMUJFWSA-N 0 0 279.380 3.176 20 10 CGCDRN CO[C@@H]1CC=C(c2ccc(N3CCOCC3)c(C)c2)CC1 ZINC001243804764 803020663 /nfs/dbraw/zinc/02/06/63/803020663.db2.gz DIIUDOJGPUGLLY-QGZVFWFLSA-N 0 0 287.403 3.414 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC1(C)CC1 ZINC001124549536 803028679 /nfs/dbraw/zinc/02/86/79/803028679.db2.gz MABKSDLXVGDZRY-UHFFFAOYSA-N 0 0 286.419 3.435 20 10 CGCDRN Cc1ncc(C(F)(F)F)cc1-c1ncnc2c1ccn2C ZINC001244256072 803266807 /nfs/dbraw/zinc/26/68/07/803266807.db2.gz HTLYFKHMAPBHGF-UHFFFAOYSA-N 0 0 292.264 3.358 20 10 CGCDRN Cc1c(F)cncc1-c1cc(=O)n(C)c2ccccc12 ZINC001244836898 803544250 /nfs/dbraw/zinc/54/42/50/803544250.db2.gz LZJOSYLXKLMTRJ-UHFFFAOYSA-N 0 0 268.291 3.048 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC001137831847 803776821 /nfs/dbraw/zinc/77/68/21/803776821.db2.gz PRIRGUSZLKPDEW-UHFFFAOYSA-N 0 0 259.271 3.153 20 10 CGCDRN Oc1cccc(F)c1CN1CCc2ncc(Cl)cc2C1 ZINC001137839969 803780710 /nfs/dbraw/zinc/78/07/10/803780710.db2.gz OECPATQBSDJRBT-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN C[C@@H](NC(=S)Nc1cccc(O)c1O)c1ccccc1 ZINC001245513771 803781839 /nfs/dbraw/zinc/78/18/39/803781839.db2.gz CXOCZFFUWIKXRY-SNVBAGLBSA-N 0 0 288.372 3.145 20 10 CGCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)CC1 ZINC001138507896 803953686 /nfs/dbraw/zinc/95/36/86/803953686.db2.gz MSPTWHQLIOCROI-QWHCGFSZSA-N 0 0 291.391 3.433 20 10 CGCDRN [O-]c1c(F)ccc(F)c1CN1CCCC(F)(F)[C@H](F)C1 ZINC001139685847 804251812 /nfs/dbraw/zinc/25/18/12/804251812.db2.gz YTGGVGBFHUAIHH-LLVKDONJSA-N 0 0 295.251 3.240 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])[C@H](C)C1 ZINC001139682656 804252218 /nfs/dbraw/zinc/25/22/18/804252218.db2.gz AOXNQDAMRNKLSD-NXEZZACHSA-N 0 0 255.308 3.291 20 10 CGCDRN CN(Cc1nc2ccccc2o1)Cc1cc(F)ccc1O ZINC001140058527 804364934 /nfs/dbraw/zinc/36/49/34/804364934.db2.gz FNNWHBDZYCKOGI-UHFFFAOYSA-N 0 0 286.306 3.305 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCC[C@@]1(C)O ZINC001140462507 804440841 /nfs/dbraw/zinc/44/08/41/804440841.db2.gz HULZVEWXJYNIDI-IAQYHMDHSA-N 0 0 283.799 3.029 20 10 CGCDRN CN(CC(=O)c1ccccc1)Cc1ccc(Cl)cc1O ZINC001140465664 804443659 /nfs/dbraw/zinc/44/36/59/804443659.db2.gz QIJISMULXBLOFU-UHFFFAOYSA-N 0 0 289.762 3.360 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC2CCC1CC2 ZINC001140583760 804468257 /nfs/dbraw/zinc/46/82/57/804468257.db2.gz RSMBDIDJXNTITJ-UHFFFAOYSA-N 0 0 253.292 3.045 20 10 CGCDRN C[N@H+](Cc1ccccc1O)Cc1c([O-])cc(F)cc1F ZINC001140584034 804468287 /nfs/dbraw/zinc/46/82/87/804468287.db2.gz DDSFGNKTRNEIPQ-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(-c4cnco4)o3)cc2)c1 ZINC001256935382 807013648 /nfs/dbraw/zinc/01/36/48/807013648.db2.gz KJHYGALLCGBFKO-UHFFFAOYSA-N 0 0 278.271 3.182 20 10 CGCDRN CN(C)c1ccc(CN2Cc3ccncc3C2)c(Cl)c1 ZINC001140924051 804550897 /nfs/dbraw/zinc/55/08/97/804550897.db2.gz BWJQOMPVVTVHMT-UHFFFAOYSA-N 0 0 287.794 3.317 20 10 CGCDRN CN(Cc1cc(O)ccc1O)Cc1ccccc1Cl ZINC001141158757 804600055 /nfs/dbraw/zinc/60/00/55/804600055.db2.gz MNLSFOJFHJGZQE-UHFFFAOYSA-N 0 0 277.751 3.383 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CCCCC(F)(F)C1 ZINC001142509147 804729319 /nfs/dbraw/zinc/72/93/19/804729319.db2.gz YRLHPRGFGYSUNT-UHFFFAOYSA-N 0 0 277.261 3.292 20 10 CGCDRN CC(C)(C)c1cccc(CN2CCC[C@@H](F)C(=O)C2)c1O ZINC001143104020 804801372 /nfs/dbraw/zinc/80/13/72/804801372.db2.gz OEBFSFSJBQEABG-CQSZACIVSA-N 0 0 293.382 3.193 20 10 CGCDRN Cc1cnccc1-c1noc(/C=C/c2ccc(O)c(O)c2)n1 ZINC001247982030 804863322 /nfs/dbraw/zinc/86/33/22/804863322.db2.gz MPIWOCMDMLMUIX-HWKANZROSA-N 0 0 295.298 3.022 20 10 CGCDRN COc1ccc(-c2noc(Cc3ccc(N)cc3)n2)c(F)c1 ZINC001248184132 804892676 /nfs/dbraw/zinc/89/26/76/804892676.db2.gz NXIULGMISWQEKA-UHFFFAOYSA-N 0 0 299.305 3.057 20 10 CGCDRN O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCc2cccc(O)c2C1 ZINC001144296852 804969840 /nfs/dbraw/zinc/96/98/40/804969840.db2.gz ADTJSLYLYNVSJX-VHDGCEQUSA-N 0 0 285.387 3.103 20 10 CGCDRN CN(Cc1cc(Cl)c(C(C)(C)C)cc1O)C1COC1 ZINC001248884139 805032886 /nfs/dbraw/zinc/03/28/86/805032886.db2.gz XRKYQCRPWDYEAY-UHFFFAOYSA-N 0 0 283.799 3.174 20 10 CGCDRN CCC1(NC(=O)c2cccc(O)c2O)CCC(F)(F)CC1 ZINC001148224364 805169820 /nfs/dbraw/zinc/16/98/20/805169820.db2.gz IQGGTLKHVYUZOR-UHFFFAOYSA-N 0 0 299.317 3.186 20 10 CGCDRN Nc1ccc(N(CCO)c2cccc3ccoc32)cc1 ZINC001249919084 805305754 /nfs/dbraw/zinc/30/57/54/805305754.db2.gz WVRVBTFSUOMXOV-UHFFFAOYSA-N 0 0 268.316 3.145 20 10 CGCDRN Cc1cc(CN2CC(C)(F)C2)c(O)cc1Br ZINC001250120751 805427827 /nfs/dbraw/zinc/42/78/27/805427827.db2.gz PAZLDIJHFYDSRW-UHFFFAOYSA-N 0 0 288.160 3.007 20 10 CGCDRN COC(=O)c1c(Cl)cccc1N(C)c1ccc(N)cc1 ZINC001250150184 805444622 /nfs/dbraw/zinc/44/46/22/805444622.db2.gz IMOXNNRHQFIKAH-UHFFFAOYSA-N 0 0 290.750 3.477 20 10 CGCDRN CCN(Cc1ccccc1O)c1nccc2cnccc21 ZINC001154888730 805505092 /nfs/dbraw/zinc/50/50/92/805505092.db2.gz JQWHBUICRYDGDO-UHFFFAOYSA-N 0 0 279.343 3.362 20 10 CGCDRN CCN(Cc1ccccc1O)c1nc(Cl)ncc1F ZINC001154889836 805506243 /nfs/dbraw/zinc/50/62/43/805506243.db2.gz IPQGJQRCINPFDD-UHFFFAOYSA-N 0 0 281.718 3.001 20 10 CGCDRN Cc1cc(C)c(C[NH2+]C2CCC3(COC3)CC2)c(O)c1 ZINC001257902128 807247823 /nfs/dbraw/zinc/24/78/23/807247823.db2.gz PSWFQPLQLIACEQ-UHFFFAOYSA-N 0 0 275.392 3.058 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)n[nH]1 ZINC001261206608 807714480 /nfs/dbraw/zinc/71/44/80/807714480.db2.gz UWGMELFZGUKDDY-UHFFFAOYSA-N 0 0 271.364 3.070 20 10 CGCDRN CCc1cc(OC)ccc1NCc1ccc(O)c(O)c1 ZINC001169992609 807735150 /nfs/dbraw/zinc/73/51/50/807735150.db2.gz HIXLHTXNRVODNS-UHFFFAOYSA-N 0 0 273.332 3.281 20 10 CGCDRN COc1cccc2c(NCc3ccc(O)c(O)c3)ccnc12 ZINC001169997138 807736094 /nfs/dbraw/zinc/73/60/94/807736094.db2.gz SGFLYIURPPYGIF-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1O ZINC001171722687 808125729 /nfs/dbraw/zinc/12/57/29/808125729.db2.gz AOGSTGVULHFMFT-XZHRJIJLSA-N 0 0 267.328 3.283 20 10 CGCDRN Cc1nc2cc(N(CCO)c3ccc(N)cc3)ccc2s1 ZINC001213037312 815208942 /nfs/dbraw/zinc/20/89/42/815208942.db2.gz NWSWPRLYEBIXRI-UHFFFAOYSA-N 0 0 299.399 3.317 20 10 CGCDRN Oc1cccc(Nc2cncc3ccccc32)c1O ZINC001174101617 808866153 /nfs/dbraw/zinc/86/61/53/808866153.db2.gz NISKEJLGKXQFEB-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN O=C(c1ccccc1)c1ccccc1Nc1cncnc1 ZINC001174384924 808986686 /nfs/dbraw/zinc/98/66/86/808986686.db2.gz SCDSZYGMHHPMCR-UHFFFAOYSA-N 0 0 275.311 3.451 20 10 CGCDRN CC(C)OC(=O)c1cccc(Nc2cccc(O)c2O)c1 ZINC001174915620 809198691 /nfs/dbraw/zinc/19/86/91/809198691.db2.gz LGTYNCKQMTZQQS-UHFFFAOYSA-N 0 0 287.315 3.407 20 10 CGCDRN O=C(c1nsc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001175037270 809248359 /nfs/dbraw/zinc/24/83/59/809248359.db2.gz DKZXGCBYPPLNBK-UHFFFAOYSA-N 0 0 296.351 3.158 20 10 CGCDRN Nc1ccc(N(c2ncc[nH]2)c2ccccc2)cc1 ZINC001176083699 809618588 /nfs/dbraw/zinc/61/85/88/809618588.db2.gz AOADEHCOMUKGAR-UHFFFAOYSA-N 0 0 250.305 3.462 20 10 CGCDRN C[C@H]1CCC(F)(F)CN1Cc1ccc(N(C)C)cc1 ZINC001176896534 809767400 /nfs/dbraw/zinc/76/74/00/809767400.db2.gz HSYUHZMJGAWMCT-LBPRGKRZSA-N 0 0 268.351 3.372 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c1 ZINC001178950490 809896361 /nfs/dbraw/zinc/89/63/61/809896361.db2.gz OUPYCXIKNDQHRI-IUODEOHRSA-N 0 0 290.363 3.216 20 10 CGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])CC1(O)CCCCCC1 ZINC001181055163 810034087 /nfs/dbraw/zinc/03/40/87/810034087.db2.gz KKTNXUDOGXVYAH-UHFFFAOYSA-N 0 0 299.361 3.188 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)cc2O)cc1OC ZINC001182604225 810117292 /nfs/dbraw/zinc/11/72/92/810117292.db2.gz DVMNCWALHYBBDC-UHFFFAOYSA-N 0 0 287.359 3.354 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+]C1(CCO)CCCCC1 ZINC001183663027 810156600 /nfs/dbraw/zinc/15/66/00/810156600.db2.gz VCHIZWMTMCXFOJ-UHFFFAOYSA-N 0 0 283.799 3.221 20 10 CGCDRN CN(c1ccc(N)cc1)c1cccc2[nH]c(=O)ccc21 ZINC001213977874 815354305 /nfs/dbraw/zinc/35/43/05/815354305.db2.gz DVTNCHKCUXUDCK-UHFFFAOYSA-N 0 0 265.316 3.291 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2cnoc2)c1 ZINC001186829850 810363716 /nfs/dbraw/zinc/36/37/16/810363716.db2.gz OKDDLEDVIPJBCY-UHFFFAOYSA-N 0 0 297.314 3.040 20 10 CGCDRN CCCOC(=O)NCc1cc2ccccc2cc1O ZINC001194142613 811021281 /nfs/dbraw/zinc/02/12/81/811021281.db2.gz BROUQCGVBRBQIW-UHFFFAOYSA-N 0 0 259.305 3.182 20 10 CGCDRN CC[C@H](C)COC(=O)N(C)Cc1ccccc1O ZINC001194794222 811134571 /nfs/dbraw/zinc/13/45/71/811134571.db2.gz VYNBVXYCZZXEEG-NSHDSACASA-N 0 0 251.326 3.007 20 10 CGCDRN Cc1ccc(F)cc1NC(=S)NCc1ncccc1F ZINC001195922688 811302893 /nfs/dbraw/zinc/30/28/93/811302893.db2.gz MLHFYFONNAYIJZ-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1cccc(CNC(=S)Nc2ccc(F)cc2)c1O ZINC001196964453 811387624 /nfs/dbraw/zinc/38/76/24/811387624.db2.gz RJCNIUAIFAUXET-UHFFFAOYSA-N 0 0 290.363 3.326 20 10 CGCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)ccc1F ZINC001199856101 811602953 /nfs/dbraw/zinc/60/29/53/811602953.db2.gz UAMBMOUCWVQTLM-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN Cc1cc(Nc2cccc(O)c2O)cnc1OC(C)C ZINC001214942288 815466583 /nfs/dbraw/zinc/46/65/83/815466583.db2.gz BFNVKTCYDUWSNU-UHFFFAOYSA-N 0 0 274.320 3.332 20 10 CGCDRN CC(C)Nc1ccc(Nc2ccn3cnnc3c2)cc1 ZINC001201489361 811862562 /nfs/dbraw/zinc/86/25/62/811862562.db2.gz PCCOMCJSCZQKRU-UHFFFAOYSA-N 0 0 267.336 3.293 20 10 CGCDRN CCN(Cc1ccccc1O)C(=O)Nc1ccccc1 ZINC001201953137 811982280 /nfs/dbraw/zinc/98/22/80/811982280.db2.gz CLTRYTPODJFIPA-UHFFFAOYSA-N 0 0 270.332 3.446 20 10 CGCDRN Cc1cccc(C)c1NC(=O)NCc1ccc(O)c(O)c1 ZINC001202214649 812040611 /nfs/dbraw/zinc/04/06/11/812040611.db2.gz UZZOVYPFLUIENG-UHFFFAOYSA-N 0 0 286.331 3.036 20 10 CGCDRN CC(=O)c1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1 ZINC001215304632 815505503 /nfs/dbraw/zinc/50/55/03/815505503.db2.gz WMPPFMRZZZYYEK-UHFFFAOYSA-N 0 0 296.282 3.017 20 10 CGCDRN Cc1cccc(NC(=O)Nc2cccc(O)c2O)c1C ZINC001202701056 812154554 /nfs/dbraw/zinc/15/45/54/812154554.db2.gz PEDSQDSVBRWKSC-UHFFFAOYSA-N 0 0 272.304 3.359 20 10 CGCDRN Cc1cc(C)cc(NC(=O)Nc2cccc(O)c2O)c1 ZINC001202848716 812186908 /nfs/dbraw/zinc/18/69/08/812186908.db2.gz FPMRNPMNXHMUHQ-UHFFFAOYSA-N 0 0 272.304 3.359 20 10 CGCDRN O=C(c1ccccc1)c1ccccc1NC1=CCOC1 ZINC001203389361 812339454 /nfs/dbraw/zinc/33/94/54/812339454.db2.gz WEKFGFHMDXOXJH-UHFFFAOYSA-N 0 0 265.312 3.244 20 10 CGCDRN CCOc1cccc(CN2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001203602109 812405297 /nfs/dbraw/zinc/40/52/97/812405297.db2.gz AAJSNIOXOSFBMP-ZFWWWQNUSA-N 0 0 285.334 3.063 20 10 CGCDRN CN(C)c1ccc(CNc2cc(F)ccn2)cc1F ZINC001203625247 812410970 /nfs/dbraw/zinc/41/09/70/812410970.db2.gz NCKKNIDOZOBRCE-UHFFFAOYSA-N 0 0 263.291 3.038 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CC(Oc2ccccc2)C1 ZINC001203657010 812418375 /nfs/dbraw/zinc/41/83/75/812418375.db2.gz BRZGIEMPMVNYCY-UHFFFAOYSA-N 0 0 289.762 3.309 20 10 CGCDRN C[C@H]1CN(Cc2ccc(O)c(O)c2)[C@@H](c2ccccc2)CO1 ZINC001203883732 812479325 /nfs/dbraw/zinc/47/93/25/812479325.db2.gz MSKOKRFEGDPJLR-XJKSGUPXSA-N 0 0 299.370 3.060 20 10 CGCDRN C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001204163720 812559839 /nfs/dbraw/zinc/55/98/39/812559839.db2.gz SWSLGPWJMZHQQB-NXEZZACHSA-N 0 0 255.308 3.291 20 10 CGCDRN CN(C)c1ccc(CN2C[C@@H](F)[C@H](F)C2)c2ccccc21 ZINC001204232783 812580257 /nfs/dbraw/zinc/58/02/57/812580257.db2.gz JTEYXUSDRDIWOY-HZPDHXFCSA-N 0 0 290.357 3.398 20 10 CGCDRN CC(C)c1nc(CN(C)Cc2ccc(O)cc2O)cs1 ZINC001204279121 812595124 /nfs/dbraw/zinc/59/51/24/812595124.db2.gz RIYQPXWMDVUITE-UHFFFAOYSA-N 0 0 292.404 3.310 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(Cl)c(CO)c1F ZINC001215610803 815547658 /nfs/dbraw/zinc/54/76/58/815547658.db2.gz NIBBEYRWEGJEME-UHFFFAOYSA-N 0 0 280.730 3.322 20 10 CGCDRN Cc1ccc2c(c1)OCCN2Cc1cc(F)c(F)cc1O ZINC001205278092 812927711 /nfs/dbraw/zinc/92/77/11/812927711.db2.gz WCYKLVZGOJAKAB-UHFFFAOYSA-N 0 0 291.297 3.378 20 10 CGCDRN CC(C)c1ccc(O)c(CN[C@H](C)C(=O)OC(C)(C)C)c1 ZINC001206629561 813379371 /nfs/dbraw/zinc/37/93/71/813379371.db2.gz UZOLRWRMYRHTQQ-GFCCVEGCSA-N 0 0 293.407 3.335 20 10 CGCDRN Cn1ccc2ncc(-c3cnc(C(F)(F)F)nc3)cc21 ZINC001242662365 823087130 /nfs/dbraw/zinc/08/71/30/823087130.db2.gz PLGMWYGHDOYSBC-UHFFFAOYSA-N 0 0 278.237 3.049 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001209520417 814073943 /nfs/dbraw/zinc/07/39/43/814073943.db2.gz VLCBSCAOTCPDPY-RTBURBONSA-N 0 0 296.414 3.457 20 10 CGCDRN c1cc2nsnc2c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209728598 814122690 /nfs/dbraw/zinc/12/26/90/814122690.db2.gz SMOVHEXOZQAMHA-UHFFFAOYSA-N 0 0 284.344 3.239 20 10 CGCDRN Cn1cc2cc(Nc3ccc4c(c3)OCCN4)ccc2n1 ZINC001209727425 814123026 /nfs/dbraw/zinc/12/30/26/814123026.db2.gz HPKXJYMJWZBSTN-UHFFFAOYSA-N 0 0 280.331 3.121 20 10 CGCDRN Cc1cc(O)cc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209788216 814139198 /nfs/dbraw/zinc/13/91/98/814139198.db2.gz JAKMVXQAJRFWFJ-UHFFFAOYSA-N 0 0 256.305 3.249 20 10 CGCDRN O=C1CCc2cccc(Nc3ccc4c(c3)OCCN4)c2N1 ZINC001209788428 814139349 /nfs/dbraw/zinc/13/93/49/814139349.db2.gz DBHCBQQZWLKFCP-UHFFFAOYSA-N 0 0 295.342 3.119 20 10 CGCDRN c1ccc(C2=NCCO2)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209789863 814141527 /nfs/dbraw/zinc/14/15/27/814141527.db2.gz STKZBHNYMMGSPF-UHFFFAOYSA-N 0 0 295.342 3.011 20 10 CGCDRN Oc1cccc(Nc2ccc3ccccc3n2)c1O ZINC001210818005 814642447 /nfs/dbraw/zinc/64/24/47/814642447.db2.gz VFTHDURCZYYYKW-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN CC(C)Oc1cnc(F)c(Nc2cccc(O)c2O)c1 ZINC001215783813 815588954 /nfs/dbraw/zinc/58/89/54/815588954.db2.gz WNKDNRTTYIJMFI-UHFFFAOYSA-N 0 0 278.283 3.163 20 10 CGCDRN Nc1ccc(N(CCO)c2cc(F)ccc2Cl)cc1 ZINC001216478143 815835951 /nfs/dbraw/zinc/83/59/51/815835951.db2.gz CUVNYOJDFLYZKI-UHFFFAOYSA-N 0 0 280.730 3.192 20 10 CGCDRN CN(c1ccc(N)cc1)c1cncc(OCC2CC2)c1 ZINC001216600007 815872109 /nfs/dbraw/zinc/87/21/09/815872109.db2.gz RYVPFQFGLOSRJJ-UHFFFAOYSA-N 0 0 269.348 3.221 20 10 CGCDRN Cc1nc2c(cccc2NC(=O)NCc2ccccc2O)o1 ZINC001217919930 816001091 /nfs/dbraw/zinc/00/10/91/816001091.db2.gz SGGNITNUBZGQAA-UHFFFAOYSA-N 0 0 297.314 3.164 20 10 CGCDRN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC001220333478 816289917 /nfs/dbraw/zinc/28/99/17/816289917.db2.gz VUOLIMSDBGMNNF-SJKOYZFVSA-N 0 0 280.371 3.176 20 10 CGCDRN CC(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccn1 ZINC001220718889 816298670 /nfs/dbraw/zinc/29/86/70/816298670.db2.gz KUAXWQKETUUTGI-QGZVFWFLSA-N 0 0 297.402 3.110 20 10 CGCDRN CCOc1ccc(-c2nc(C)nc3c2ccn3C)c(C)n1 ZINC001222091715 816346316 /nfs/dbraw/zinc/34/63/16/816346316.db2.gz UNFUTUNTELHEAB-UHFFFAOYSA-N 0 0 282.347 3.046 20 10 CGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1cccs1 ZINC001226413573 817350400 /nfs/dbraw/zinc/35/04/00/817350400.db2.gz XGSLNZURRYBKKU-VIFPVBQESA-N 0 0 294.351 3.153 20 10 CGCDRN Cc1cc(C)c(CN2CC[C@H](CF)C(F)(F)C2)c(O)c1 ZINC001231842722 818186031 /nfs/dbraw/zinc/18/60/31/818186031.db2.gz PPJILVIDFKZVCS-GFCCVEGCSA-N 0 0 287.325 3.436 20 10 CGCDRN Cc1cc(O)c(CN2CCC(=O)C(C)(C)C2)cc1Cl ZINC001231870460 818193376 /nfs/dbraw/zinc/19/33/76/818193376.db2.gz CGKRLTLYIWVQNV-UHFFFAOYSA-N 0 0 281.783 3.155 20 10 CGCDRN Cc1cc(O)c(CN2Cc3cccnc3C2)cc1Cl ZINC001231869498 818194797 /nfs/dbraw/zinc/19/47/97/818194797.db2.gz TVXUHMNNOHNPGD-UHFFFAOYSA-N 0 0 274.751 3.265 20 10 CGCDRN C[N@H+](CCc1cccnc1)Cc1cccc(Cl)c1[O-] ZINC001231912292 818210046 /nfs/dbraw/zinc/21/00/46/818210046.db2.gz CBXFCWJJXGAITL-UHFFFAOYSA-N 0 0 276.767 3.115 20 10 CGCDRN CC(C)[N@H+](CCCCCO)Cc1cccc(Cl)c1[O-] ZINC001231912983 818211296 /nfs/dbraw/zinc/21/12/96/818211296.db2.gz FNSFVOOWYSPUSR-UHFFFAOYSA-N 0 0 285.815 3.419 20 10 CGCDRN COc1cc(O)c(C[NH+]2CC3(CCC3)C2)cc1Cl ZINC001232266394 818298773 /nfs/dbraw/zinc/29/87/73/818298773.db2.gz NJXPWGLPUATUJG-UHFFFAOYSA-N 0 0 267.756 3.040 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cccc(O)c2F)cc1 ZINC001233054245 818512788 /nfs/dbraw/zinc/51/27/88/818512788.db2.gz HGAUCSNFGZKOAV-UHFFFAOYSA-N 0 0 288.366 3.229 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)ccc(F)c1F ZINC001233076700 818517367 /nfs/dbraw/zinc/51/73/67/818517367.db2.gz TWFZHKLOEJGQRA-QWRGUYRKSA-N 0 0 267.319 3.292 20 10 CGCDRN C[N@H+](Cc1ccsc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077108 818519662 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O=C(NCc1c(O)cccc1F)Nc1cc(F)cc(F)c1 ZINC001309990448 933248676 /nfs/dbraw/zinc/24/86/76/933248676.db2.gz VPPPIQQGISDRID-UHFFFAOYSA-N 0 0 296.248 3.131 20 10 CGCDRN COc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001463678949 937679188 /nfs/dbraw/zinc/67/91/88/937679188.db2.gz YERCSYIGXPHBRW-UHFFFAOYSA-N 0 0 298.302 3.110 20 10 CGCDRN CCN(C(=O)C1=CC(=O)CS1)c1ccccc1C ZINC001464286072 937688656 /nfs/dbraw/zinc/68/86/56/937688656.db2.gz WGSATKCTBKOKSL-UHFFFAOYSA-N 0 0 261.346 3.429 20 10 CGCDRN Cc1ccccc1OCCC(=O)N(C)Cc1ccccc1O ZINC001319260408 933850833 /nfs/dbraw/zinc/85/08/33/933850833.db2.gz LYRNSNDMRDSRML-UHFFFAOYSA-N 0 0 299.370 3.128 20 10 CGCDRN O=C(/C=C\c1ccco1)Nc1c2nonc2ccc1Cl ZINC001320979094 934130922 /nfs/dbraw/zinc/13/09/22/934130922.db2.gz YLNNEPFGARELAD-UTCJRWHESA-N 0 0 289.678 3.121 20 10 CGCDRN Cc1coc(C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC001322451347 934302518 /nfs/dbraw/zinc/30/25/18/934302518.db2.gz HLILDOXBGIGLIW-UHFFFAOYSA-N 0 0 299.370 3.411 20 10 CGCDRN C[C@H](NC(=O)c1cnc2ccccc2c1)c1ccccc1O ZINC001471193993 937762263 /nfs/dbraw/zinc/76/22/63/937762263.db2.gz ALTOXRYHDNKOSS-LBPRGKRZSA-N 0 0 292.338 3.431 20 10 CGCDRN C[C@H](NC(=O)c1ccccc1F)c1ccccc1O ZINC001471195631 937762632 /nfs/dbraw/zinc/76/26/32/937762632.db2.gz JKXPFJHDFBBVKD-JTQLQIEISA-N 0 0 259.280 3.022 20 10 CGCDRN CCC(CC)C(=O)Nc1c2nonc2ccc1Cl ZINC001324718171 934556150 /nfs/dbraw/zinc/55/61/50/934556150.db2.gz LRLRSFSMAXCWEQ-UHFFFAOYSA-N 0 0 267.716 3.251 20 10 CGCDRN CN(C[C@H]1CCC2(CCC2)CO1)c1ccc2c(c1)OCO2 ZINC001473283912 937800378 /nfs/dbraw/zinc/80/03/78/937800378.db2.gz FHQZXBYSSKGNLQ-CQSZACIVSA-N 0 0 289.375 3.201 20 10 CGCDRN CN(C)c1ccc(CN2CCc3c2cccc3F)cc1 ZINC001473357392 937803019 /nfs/dbraw/zinc/80/30/19/937803019.db2.gz RBERSTLDEXQIJA-UHFFFAOYSA-N 0 0 270.351 3.454 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001326613457 934993896 /nfs/dbraw/zinc/99/38/96/934993896.db2.gz HTVDYTKNVKKSQH-MNOVXSKESA-N 0 0 257.736 3.416 20 10 CGCDRN CC(=O)Nc1ccc(NCc2ccc(N(C)C)cc2C)nc1 ZINC001327374950 935057316 /nfs/dbraw/zinc/05/73/16/935057316.db2.gz JPOYVXRFDQYZSW-UHFFFAOYSA-N 0 0 298.390 3.027 20 10 CGCDRN O=C(Nc1ccccc1OCC1CC1)C1=CC(=O)CS1 ZINC001328968723 935175635 /nfs/dbraw/zinc/17/56/35/935175635.db2.gz XKHWZOIQKKGEKW-UHFFFAOYSA-N 0 0 289.356 3.495 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(CF)CCC1 ZINC001332480099 935472814 /nfs/dbraw/zinc/47/28/14/935472814.db2.gz BCSPAXNJPIVPDG-UHFFFAOYSA-N 0 0 290.382 3.043 20 10 CGCDRN CCCOc1ccc(CN[C@@H](C)c2noc(C)n2)cc1C ZINC001333372321 935530577 /nfs/dbraw/zinc/53/05/77/935530577.db2.gz VIKXIQFOOVZKBR-LBPRGKRZSA-N 0 0 289.379 3.326 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@]23C[C@H]2CCC3)cc1 ZINC001334109695 936085073 /nfs/dbraw/zinc/08/50/73/936085073.db2.gz GSPHEULVOWDLSA-CRAIPNDOSA-N 0 0 286.419 3.339 20 10 CGCDRN C[C@H](CCNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001335687069 936156029 /nfs/dbraw/zinc/15/60/29/936156029.db2.gz MLAZPWLKOMVZTK-CQSZACIVSA-N 0 0 297.402 3.262 20 10 CGCDRN C[C@H](c1cccs1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001335736471 936156802 /nfs/dbraw/zinc/15/68/02/936156802.db2.gz AMJAMDALCLXBGE-LLVKDONJSA-N 0 0 289.404 3.233 20 10 CGCDRN CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1ccc(N)cc1 ZINC001337070559 936235455 /nfs/dbraw/zinc/23/54/55/936235455.db2.gz RWBWYZSZIICXFR-CZUORRHYSA-N 0 0 289.423 3.379 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C12CCC(CC1)CC2 ZINC001337367430 936254213 /nfs/dbraw/zinc/25/42/13/936254213.db2.gz DUDHUXFIKXWARG-UHFFFAOYSA-N 0 0 277.339 3.118 20 10 CGCDRN C[C@H]1CC(NC(=O)NCc2c(O)cccc2F)C[C@H](C)C1 ZINC001477964878 937900020 /nfs/dbraw/zinc/90/00/20/937900020.db2.gz VAPKGUBFWUENNB-GHMZBOCLSA-N 0 0 294.370 3.155 20 10 CGCDRN C[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)C[C@@H](C)C1 ZINC001477964877 937900065 /nfs/dbraw/zinc/90/00/65/937900065.db2.gz VAPKGUBFWUENNB-GDNZZTSVSA-N 0 0 294.370 3.155 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC2(C)C)c1 ZINC001478695178 937909239 /nfs/dbraw/zinc/90/92/39/937909239.db2.gz FUHOXENYPIMBJQ-CQSZACIVSA-N 0 0 290.407 3.326 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCSc2ncccc21 ZINC001521651458 938033318 /nfs/dbraw/zinc/03/33/18/938033318.db2.gz WBLQCZKVIVZHQC-BENRWUELSA-N 0 0 297.383 3.019 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)CC1 ZINC001523554166 938040211 /nfs/dbraw/zinc/04/02/11/938040211.db2.gz RGPOOQTYZSIVNH-UHFFFAOYSA-N 0 0 272.392 3.045 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cn(C)cn1)CC[C@H]2C ZINC001534103953 938094303 /nfs/dbraw/zinc/09/43/03/938094303.db2.gz FQVOELWESQJLMF-SBDDDAINSA-N 0 0 295.386 3.282 20 10 CGCDRN COCCN(C(=O)/C=C/c1cccnc1C)c1ccccc1 ZINC001543326006 938138767 /nfs/dbraw/zinc/13/87/67/938138767.db2.gz IQDDRGJETWGGRD-ZHACJKMWSA-N 0 0 296.370 3.083 20 10 CGCDRN C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1O ZINC001557967836 938212807 /nfs/dbraw/zinc/21/28/07/938212807.db2.gz MFOKSPZTXOZTGT-NSHDSACASA-N 0 0 280.327 3.365 20 10 CGCDRN C/C(=C\C(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1 ZINC001558035744 938213313 /nfs/dbraw/zinc/21/33/13/938213313.db2.gz OCYKPDMLLDYKKR-XYOKQWHBSA-N 0 0 297.329 3.477 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CCC(C)(C)CC2)cc1OC ZINC001559092755 938220155 /nfs/dbraw/zinc/22/01/55/938220155.db2.gz USNDMVCSDJEBHA-UHFFFAOYSA-N 0 0 294.351 3.238 20 10 CGCDRN Oc1ccc(O)c(CNc2nc3ccccc3s2)c1 ZINC001559270670 938224129 /nfs/dbraw/zinc/22/41/29/938224129.db2.gz ZUPADAZATRROHV-UHFFFAOYSA-N 0 0 272.329 3.320 20 10 CGCDRN COC(=O)c1cnc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC001559416450 938226388 /nfs/dbraw/zinc/22/63/88/938226388.db2.gz KASKWODGQPENAE-BBBLOLIVSA-N 0 0 283.418 3.458 20 10 CGCDRN CCOc1ccc(N(C)C[C@H](OCC)C2CC2)cc1 ZINC001560124692 938244614 /nfs/dbraw/zinc/24/46/14/938244614.db2.gz BRXKLBYQYLYRJR-INIZCTEOSA-N 0 0 263.381 3.337 20 10 CGCDRN Cn1cnc2cc(NCc3ccc4c(c3)CCO4)ccc21 ZINC001560379064 938256217 /nfs/dbraw/zinc/25/62/17/938256217.db2.gz JRKXBKIMYFMLTM-UHFFFAOYSA-N 0 0 279.343 3.120 20 10 CGCDRN CN(C)c1ccc(/C=C\CNCc2ncccc2F)cc1 ZINC001560461980 938259155 /nfs/dbraw/zinc/25/91/55/938259155.db2.gz ZRCFNJZRIMZDJB-HYXAFXHYSA-N 0 0 285.366 3.090 20 10 CGCDRN Cc1ccc(CN2CCC(=O)Nc3ccccc32)c(O)c1 ZINC001560865665 938280648 /nfs/dbraw/zinc/28/06/48/938280648.db2.gz HDAUTFSPYIPXFG-UHFFFAOYSA-N 0 0 282.343 3.049 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c(Cl)n1 ZINC001560987069 938288000 /nfs/dbraw/zinc/28/80/00/938288000.db2.gz PSSPKIJIQWESPE-UHFFFAOYSA-N 0 0 298.720 3.317 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC001594327026 958181872 /nfs/dbraw/zinc/18/18/72/958181872.db2.gz NIVDOIWICJXNPQ-NSHDSACASA-N 0 0 297.782 3.041 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001117548174 958822485 /nfs/dbraw/zinc/82/24/85/958822485.db2.gz PMEJQIUIKVLIKH-SFYZADRCSA-N 0 0 279.727 3.251 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2c(O)cccc2F)C[C@@H]1C ZINC001564538431 960577840 /nfs/dbraw/zinc/57/78/40/960577840.db2.gz GQBYWHYRWAXQAA-WOPDTQHZSA-N 0 0 294.370 3.155 20 10 CGCDRN CCCC[C@@H](CCC)NC(=O)Cc1ccc(O)c(O)c1 ZINC001566214081 960913028 /nfs/dbraw/zinc/91/30/28/960913028.db2.gz STNQFQHCLILVFF-CYBMUJFWSA-N 0 0 279.380 3.115 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NOC(C)C ZINC001569692029 961823638 /nfs/dbraw/zinc/82/36/38/961823638.db2.gz BRBFTBHVMLDRMX-UHFFFAOYSA-N 0 0 286.375 3.472 20 10 CGCDRN CNc1cc(Cl)ccc1C(=O)Oc1ccc(N)cc1 ZINC001578755477 962601784 /nfs/dbraw/zinc/60/17/84/962601784.db2.gz YJQTVUDFARXHLC-UHFFFAOYSA-N 0 0 276.723 3.183 20 10 CGCDRN CC(C)Cc1c[nH]c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001587316124 962761642 /nfs/dbraw/zinc/76/16/42/962761642.db2.gz AAYHOUCILJLFSW-UHFFFAOYSA-N 0 0 299.418 3.209 20 10 CGCDRN CC(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1C ZINC001587933195 963234541 /nfs/dbraw/zinc/23/45/41/963234541.db2.gz NFVOWVMITAKHTM-UHFFFAOYSA-N 0 0 295.338 3.059 20 10 CGCDRN CC[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccccc1O ZINC000086735496 967574640 /nfs/dbraw/zinc/57/46/40/967574640.db2.gz YMYZVYQAQUNPSH-ORHYLEIMSA-N 0 0 277.364 3.076 20 10 CGCDRN CC(C)C[C@@H](C[NH2+]Cc1cc(C(C)C)ccc1O)C(=O)[O-] ZINC001591159893 991904338 /nfs/dbraw/zinc/90/43/38/991904338.db2.gz DUWCNTYVBUXGDA-HNNXBMFYSA-N 0 0 293.407 3.352 20 10 CGCDRN Cc1cccc(CNc2ccc3c(c2)OCO3)c1O ZINC000083420024 178428835 /nfs/dbraw/zinc/42/88/35/178428835.db2.gz QFBCXGWRKNVJJX-UHFFFAOYSA-N 0 0 257.289 3.041 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ncccn1 ZINC000070792999 345395753 /nfs/dbraw/zinc/39/57/53/345395753.db2.gz LUQKYLRXBUTHCC-UHFFFAOYSA-N 0 0 282.391 3.103 20 10 CGCDRN C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)c(F)c1[O-] ZINC000187923341 299349152 /nfs/dbraw/zinc/34/91/52/299349152.db2.gz CVDXBAFYZRLIPA-CABZTGNLSA-N 0 0 297.301 3.038 20 10 CGCDRN COc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000019963961 368791924 /nfs/dbraw/zinc/79/19/24/368791924.db2.gz CJHRODNQCHUGQS-UHFFFAOYSA-N 0 0 256.349 3.373 20 10 CGCDRN CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000091772571 370076842 /nfs/dbraw/zinc/07/68/42/370076842.db2.gz AHIWTFORGQFGOC-NSHDSACASA-N 0 0 290.190 3.310 20 10 CGCDRN CC[C@@H]([NH2+]CC1=CCCOC1)c1cccc(Cl)c1[O-] ZINC000286999111 371587828 /nfs/dbraw/zinc/58/78/28/371587828.db2.gz JZALMIXHCIYTSJ-CQSZACIVSA-N 0 0 281.783 3.433 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000287151647 371612155 /nfs/dbraw/zinc/61/21/55/371612155.db2.gz STRYFLJOQUWAKO-QWRGUYRKSA-N 0 0 269.385 3.325 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(F)cc1[O-] ZINC000287539975 371671558 /nfs/dbraw/zinc/67/15/58/371671558.db2.gz PGARZQIIXWSGDD-ZFWWWQNUSA-N 0 0 281.371 3.123 20 10 CGCDRN CC(C)SCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000287204072 371621000 /nfs/dbraw/zinc/62/10/00/371621000.db2.gz WLHKRRJTVYNUNE-SNVBAGLBSA-N 0 0 257.374 3.324 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000287811082 371708481 /nfs/dbraw/zinc/70/84/81/371708481.db2.gz UROMVMNKQNTMNC-MGPQQGTHSA-N 0 0 283.799 3.390 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1cccc(Cl)c1[O-] ZINC000287710203 371696804 /nfs/dbraw/zinc/69/68/04/371696804.db2.gz OBEKTGQKYUOWSS-RISCZKNCSA-N 0 0 293.798 3.372 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC000293636705 372431224 /nfs/dbraw/zinc/43/12/24/372431224.db2.gz NPCRDZVQAUDCPY-LLVKDONJSA-N 0 0 287.762 3.234 20 10 CGCDRN COC1(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000293724264 372462939 /nfs/dbraw/zinc/46/29/39/372462939.db2.gz UHNVPUSSGNJLML-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c(O)c1O ZINC000293758099 372471708 /nfs/dbraw/zinc/47/17/08/372471708.db2.gz MSFWSJDIIICWFP-OAHLLOKOSA-N 0 0 289.375 3.057 20 10 CGCDRN COC[C@]1(C)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295135143 372693291 /nfs/dbraw/zinc/69/32/91/372693291.db2.gz PBHIHGYFKYHYHK-CQSZACIVSA-N 0 0 287.762 3.043 20 10 CGCDRN COc1cccc(CNC(=O)O[C@H](C)CC(C)C)c1O ZINC000295414637 372771759 /nfs/dbraw/zinc/77/17/59/372771759.db2.gz CCLBKDJHHWUMIE-LLVKDONJSA-N 0 0 281.352 3.062 20 10 CGCDRN CCc1c(Cl)ncnc1NCc1cccc(OC)c1O ZINC000295518725 372811085 /nfs/dbraw/zinc/81/10/85/372811085.db2.gz MEEFFPJJKXKKJJ-UHFFFAOYSA-N 0 0 293.754 3.019 20 10 CGCDRN CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc(O)c1O ZINC000295817777 372921215 /nfs/dbraw/zinc/92/12/15/372921215.db2.gz PFQUNNZKFWVUNA-MRXNPFEDSA-N 0 0 277.364 3.139 20 10 CGCDRN CC/C(C)=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000296460036 373142274 /nfs/dbraw/zinc/14/22/74/373142274.db2.gz JIHWNJPXCQWQLR-ZRDIBKRKSA-N 0 0 273.376 3.244 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCCCO)c(O)c1C ZINC000296575347 373183093 /nfs/dbraw/zinc/18/30/93/373183093.db2.gz TYOYLPNINVRDKX-TZMCWYRMSA-N 0 0 265.397 3.211 20 10 CGCDRN CCc1c(Cl)ncnc1N(C)Cc1ccccc1O ZINC000297498995 373271431 /nfs/dbraw/zinc/27/14/31/373271431.db2.gz MZBIVUXJTPJPSD-UHFFFAOYSA-N 0 0 277.755 3.034 20 10 CGCDRN CC(C)(CC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297304185 373266066 /nfs/dbraw/zinc/26/60/66/373266066.db2.gz VSTFYKBKYPKFMC-UHFFFAOYSA-N 0 0 282.387 3.253 20 10 CGCDRN C[C@H](CC(=O)NCc1ccc(N)cc1)C1CCCCC1 ZINC000297351126 373268797 /nfs/dbraw/zinc/26/87/97/373268797.db2.gz ZDKITSMFSCQAEZ-CYBMUJFWSA-N 0 0 274.408 3.492 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)c1cc(C)nc(C)n1 ZINC000302569072 373897562 /nfs/dbraw/zinc/89/75/62/373897562.db2.gz XYRBRSFPOQRRBR-UHFFFAOYSA-N 0 0 284.407 3.186 20 10 CGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2cccs2)C1 ZINC000180002687 373952728 /nfs/dbraw/zinc/95/27/28/373952728.db2.gz NMUQLMZNAZGVHG-CQSZACIVSA-N 0 0 293.363 3.166 20 10 CGCDRN COc1ccc(N(C)CC2=CCCOC2)cc1Cl ZINC000180770061 374044649 /nfs/dbraw/zinc/04/46/49/374044649.db2.gz QTPQKBUTOLZTDQ-UHFFFAOYSA-N 0 0 267.756 3.132 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C)[C@H]1C ZINC000472232354 375013108 /nfs/dbraw/zinc/01/31/08/375013108.db2.gz XDARZEIBOWGACM-TZMCWYRMSA-N 0 0 299.418 3.427 20 10 CGCDRN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699533 375075124 /nfs/dbraw/zinc/07/51/24/375075124.db2.gz NXUGYOUMSTWUKF-IUCAKERBSA-N 0 0 295.333 3.124 20 10 CGCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)(C)C ZINC000187742726 375085365 /nfs/dbraw/zinc/08/53/65/375085365.db2.gz GHJPUJUSASNMKP-SKDRFNHKSA-N 0 0 287.350 3.382 20 10 CGCDRN C[C@H](c1ccco1)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188264024 375186960 /nfs/dbraw/zinc/18/69/60/375186960.db2.gz RVUCEVUYFLIXCP-SNVBAGLBSA-N 0 0 287.315 3.057 20 10 CGCDRN Cc1cc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)ccn1 ZINC000492568253 375446083 /nfs/dbraw/zinc/44/60/83/375446083.db2.gz RLHVPOGPGRQWAL-GQCTYLIASA-N 0 0 287.750 3.115 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C\C1CC1 ZINC000492683093 375450378 /nfs/dbraw/zinc/45/03/78/375450378.db2.gz VHZAHXVFGKMLFC-KTKRTIGZSA-N 0 0 268.360 3.069 20 10 CGCDRN C/C=C(\CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190118728 375479520 /nfs/dbraw/zinc/47/95/20/375479520.db2.gz DDSACAIINXZPRE-CRKCGEKBSA-N 0 0 272.392 3.259 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCC1CC1 ZINC000526887232 375890329 /nfs/dbraw/zinc/89/03/29/375890329.db2.gz LJMQTMGJTHBRQZ-UHFFFAOYSA-N 0 0 299.418 3.476 20 10 CGCDRN O=C(/C=C\c1cccnc1)N1CCSc2ccccc21 ZINC000254976781 377720847 /nfs/dbraw/zinc/72/08/47/377720847.db2.gz UBGGXKPMXWNZQS-FPLPWBNLSA-N 0 0 282.368 3.234 20 10 CGCDRN COc1ccc(C)cc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000261637769 377831752 /nfs/dbraw/zinc/83/17/52/377831752.db2.gz IIZLBSATOXJULJ-ZDUSSCGKSA-N 0 0 298.386 3.006 20 10 CGCDRN CCN(Cc1ncc(C)o1)c1ccc(OC)c(OC)c1 ZINC000266661810 378024820 /nfs/dbraw/zinc/02/48/20/378024820.db2.gz MAOWXMFJELOZIQ-UHFFFAOYSA-N 0 0 276.336 3.027 20 10 CGCDRN CSCC[C@@H](C)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000272212810 378586336 /nfs/dbraw/zinc/58/63/36/378586336.db2.gz AQIHBWTYXXKZSF-SNVBAGLBSA-N 0 0 257.374 3.105 20 10 CGCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@H](CCO)c1ccccc1 ZINC000272260735 378598830 /nfs/dbraw/zinc/59/88/30/378598830.db2.gz JXPOQPXGUHTSMR-MRXNPFEDSA-N 0 0 289.350 3.087 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCc2sccc2C1 ZINC000272265554 378598914 /nfs/dbraw/zinc/59/89/14/378598914.db2.gz KQRDBNJQOOEQDU-UHFFFAOYSA-N 0 0 263.337 3.151 20 10 CGCDRN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(F)ccc1O ZINC000273359565 378742096 /nfs/dbraw/zinc/74/20/96/378742096.db2.gz AFIGNDRMYYJCTE-GFCCVEGCSA-N 0 0 292.398 3.199 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000273463117 378747360 /nfs/dbraw/zinc/74/73/60/378747360.db2.gz IKQOENHTAIAGPM-NSHDSACASA-N 0 0 289.375 3.020 20 10 CGCDRN C[C@H](CCO)C1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000273485580 378750188 /nfs/dbraw/zinc/75/01/88/378750188.db2.gz NGLRVFXPGJHQKB-OLZOCXBDSA-N 0 0 295.398 3.371 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000349923291 379450259 /nfs/dbraw/zinc/45/02/59/379450259.db2.gz VZNMIZQJBUBALD-GXTWGEPZSA-N 0 0 299.418 3.475 20 10 CGCDRN CCc1nc([C@H]2CCCCN2Cc2ccccc2O)no1 ZINC000376166766 379525285 /nfs/dbraw/zinc/52/52/85/379525285.db2.gz NWYBQNSHQKMVJM-CYBMUJFWSA-N 0 0 287.363 3.065 20 10 CGCDRN CN(C)c1ccc(OCc2noc(C(C)(C)C)n2)cc1 ZINC000281139484 379820660 /nfs/dbraw/zinc/82/06/60/379820660.db2.gz JRECHMVWQXHMQB-UHFFFAOYSA-N 0 0 275.352 3.012 20 10 CGCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000378445355 379826894 /nfs/dbraw/zinc/82/68/94/379826894.db2.gz TYEQFRANOHOLPT-UHFFFAOYSA-N 0 0 269.772 3.047 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCCO1 ZINC000282463197 379925115 /nfs/dbraw/zinc/92/51/15/379925115.db2.gz JZLJUMUCJUEPJH-INIZCTEOSA-N 0 0 291.391 3.090 20 10 CGCDRN CC[C@@H]([NH2+]CCc1cccnc1)c1ccc(F)cc1[O-] ZINC000285478486 380148590 /nfs/dbraw/zinc/14/85/90/380148590.db2.gz BIVYKWSPPHLDEA-OAHLLOKOSA-N 0 0 274.339 3.210 20 10 CGCDRN CC[C@H]([NH2+]Cc1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000286103058 380161123 /nfs/dbraw/zinc/16/11/23/380161123.db2.gz NIOXFCDPAZGGGL-AWEZNQCLSA-N 0 0 278.327 3.377 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286277755 380187505 /nfs/dbraw/zinc/18/75/05/380187505.db2.gz VQJKVKVRKGBJEL-HZPDHXFCSA-N 0 0 289.350 3.306 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCCN1CC)c1ccc(F)cc1[O-] ZINC000285685519 380152388 /nfs/dbraw/zinc/15/23/88/380152388.db2.gz OESWJATWTAELAV-ZFWWWQNUSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(F)cc1[O-] ZINC000285909394 380152569 /nfs/dbraw/zinc/15/25/69/380152569.db2.gz BUJRMYGBOIWDPF-BONVTDFDSA-N 0 0 291.370 3.235 20 10 CGCDRN CCc1nnc(COc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC000421195477 380871228 /nfs/dbraw/zinc/87/12/28/380871228.db2.gz HPQNGAKYOYSVPN-UHFFFAOYSA-N 0 0 285.347 3.320 20 10 CGCDRN O=C(Nc1ccc2ncsc2c1)C1=CC(=O)CS1 ZINC000732270880 572456199 /nfs/dbraw/zinc/45/61/99/572456199.db2.gz WPTBAWMPKHQESI-UHFFFAOYSA-N 0 0 276.342 3.316 20 10 CGCDRN Cc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000365927014 382299814 /nfs/dbraw/zinc/29/98/14/382299814.db2.gz HMMCNLNGQJLNSY-AWEZNQCLSA-N 0 0 297.354 3.036 20 10 CGCDRN Cc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1O ZINC000109770916 392372921 /nfs/dbraw/zinc/37/29/21/392372921.db2.gz AJUAXGHOSVEEQL-UHFFFAOYSA-N 0 0 298.386 3.080 20 10 CGCDRN CC(C)c1nsc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000301515890 392593397 /nfs/dbraw/zinc/59/33/97/392593397.db2.gz LTHVJWJCAPHDOJ-UHFFFAOYSA-N 0 0 294.399 3.479 20 10 CGCDRN Oc1ccccc1CN(Cc1ccco1)c1ncc(F)cn1 ZINC000301980365 392605549 /nfs/dbraw/zinc/60/55/49/392605549.db2.gz APTCSABAAFIZII-UHFFFAOYSA-N 0 0 299.305 3.121 20 10 CGCDRN CCc1nsc(N(CC)Cc2ccc(N(C)C)cc2)n1 ZINC000301975653 392606056 /nfs/dbraw/zinc/60/60/56/392606056.db2.gz LPQSGFRYSYXLBV-UHFFFAOYSA-N 0 0 290.436 3.193 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2[C@@H]3CCC[C@H]23)cc1 ZINC000178135692 392672598 /nfs/dbraw/zinc/67/25/98/392672598.db2.gz YZZQDLLPDTXJSY-SJPCQFCGSA-N 0 0 286.419 3.195 20 10 CGCDRN CCCc1nc(COc2ccc(N3CCCC3)cc2)no1 ZINC000178196039 392674441 /nfs/dbraw/zinc/67/44/41/392674441.db2.gz FDIWSPVIOBQQJD-UHFFFAOYSA-N 0 0 287.363 3.201 20 10 CGCDRN CCSCC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000179529925 392702521 /nfs/dbraw/zinc/70/25/21/392702521.db2.gz QBLDEMOGZWSWRK-LLVKDONJSA-N 0 0 297.420 3.010 20 10 CGCDRN CCOC(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276877426 393301211 /nfs/dbraw/zinc/30/12/11/393301211.db2.gz FRUQORQNNFWXPG-SECBINFHSA-N 0 0 273.323 3.136 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273607905 292076614 /nfs/dbraw/zinc/07/66/14/292076614.db2.gz USYPEPKIDWEBJO-WDEREUQCSA-N 0 0 296.367 3.155 20 10 CGCDRN CCOC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000276607559 286170012 /nfs/dbraw/zinc/17/00/12/286170012.db2.gz KYGZHHCGCNDBFI-MFKMUULPSA-N 0 0 287.350 3.382 20 10 CGCDRN CC(C)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000079299454 260175447 /nfs/dbraw/zinc/17/54/47/260175447.db2.gz HJUYTUURJVAQAT-HNNXBMFYSA-N 0 0 274.408 3.096 20 10 CGCDRN CCCN(Cc1cccc(OCC)c1O)CC(F)F ZINC000092737480 260272042 /nfs/dbraw/zinc/27/20/42/260272042.db2.gz CIBRYVZUPOBSJQ-UHFFFAOYSA-N 0 0 273.323 3.268 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC(C)(C)C ZINC000157244882 261143215 /nfs/dbraw/zinc/14/32/15/261143215.db2.gz JAXXFZVQVFILPZ-UHFFFAOYSA-N 0 0 264.369 3.112 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCSCC1 ZINC000162620282 261288388 /nfs/dbraw/zinc/28/83/88/261288388.db2.gz ZVCZYBGGBCGFIL-UHFFFAOYSA-N 0 0 257.786 3.031 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(-c3nncn3C)c2)c1 ZINC000103855590 261335663 /nfs/dbraw/zinc/33/56/63/261335663.db2.gz JRDJFESGOVUOGO-UHFFFAOYSA-N 0 0 294.358 3.108 20 10 CGCDRN CCCCN(C(=O)/C=C/c1cnccn1)c1ccccc1 ZINC000491165751 261357655 /nfs/dbraw/zinc/35/76/55/261357655.db2.gz AOEALZOEKCFBMP-MDZDMXLPSA-N 0 0 281.359 3.323 20 10 CGCDRN CCOC(=O)[C@H](CC(C)C)Sc1nccs1 ZINC000180972481 261880610 /nfs/dbraw/zinc/88/06/10/261880610.db2.gz GPALJHHPVBADEE-VIFPVBQESA-N 0 0 259.396 3.213 20 10 CGCDRN Cc1ccc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183428380 261974496 /nfs/dbraw/zinc/97/44/96/261974496.db2.gz HFMBJHHVUXLZRN-ZDUSSCGKSA-N 0 0 299.370 3.076 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)ccc1O ZINC000185608650 262061631 /nfs/dbraw/zinc/06/16/31/262061631.db2.gz FQFGQLXYFDXRLJ-SNVBAGLBSA-N 0 0 271.788 3.105 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCCCCC1 ZINC000186747085 262108097 /nfs/dbraw/zinc/10/80/97/262108097.db2.gz HZQGPEBSJNXNJC-GFCCVEGCSA-N 0 0 289.375 3.036 20 10 CGCDRN Cc1cccc(CNc2ccc(C(=O)N(C)C)c(C)c2)c1O ZINC000194921536 262243593 /nfs/dbraw/zinc/24/35/93/262243593.db2.gz JSJXNJFSTHIKDX-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2(CCF)CC2)cc1 ZINC000289873674 263112484 /nfs/dbraw/zinc/11/24/84/263112484.db2.gz PDMSWIKMNRQJCU-UHFFFAOYSA-N 0 0 292.398 3.289 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287549508 288047772 /nfs/dbraw/zinc/04/77/72/288047772.db2.gz FOIVWIGVVJMTHK-GYSYKLTISA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@@H]1COCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000359868156 327396205 /nfs/dbraw/zinc/39/62/05/327396205.db2.gz HGRFMGZKSHFJEO-VIFPVBQESA-N 0 0 290.190 3.167 20 10 CGCDRN CC1(C)CCC(CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000261867009 327504636 /nfs/dbraw/zinc/50/46/36/327504636.db2.gz YNAQDGYVEBYHFC-UHFFFAOYSA-N 0 0 274.408 3.144 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000191331639 329412955 /nfs/dbraw/zinc/41/29/55/329412955.db2.gz ODUGGTSJFZGHPJ-GAJTVXKRSA-N 0 0 299.773 3.232 20 10 CGCDRN Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cnccc1N ZINC000423080333 330168939 /nfs/dbraw/zinc/16/89/39/330168939.db2.gz AALFUZKSUPBUDR-CYBMUJFWSA-N 0 0 294.402 3.145 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000527803624 330284303 /nfs/dbraw/zinc/28/43/03/330284303.db2.gz HSSKRDNJFWPVLJ-XULOGPSESA-N 0 0 287.762 3.086 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1[C@H](C)C1(F)F ZINC000471226039 331504069 /nfs/dbraw/zinc/50/40/69/331504069.db2.gz HBYXACIFXMRULC-IINYFYTJSA-N 0 0 292.329 3.004 20 10 CGCDRN C[C@H]1CCN(C(=O)/C=C\c2cnccn2)c2ccccc21 ZINC000491151408 332157236 /nfs/dbraw/zinc/15/72/36/332157236.db2.gz LUVZHMPTJMBZCW-FWWRYZNZSA-N 0 0 279.343 3.030 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCCc3cccc(O)c32)c1 ZINC000492391629 332395454 /nfs/dbraw/zinc/39/54/54/332395454.db2.gz BHZWAHYGWBBXFF-FPLPWBNLSA-N 0 0 294.354 3.088 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccccc1 ZINC000492494790 332400054 /nfs/dbraw/zinc/40/00/54/332400054.db2.gz SLNKLYYONSCEBI-HJWRWDBZSA-N 0 0 252.317 3.066 20 10 CGCDRN CCCC[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000499889999 332595299 /nfs/dbraw/zinc/59/52/99/332595299.db2.gz VWFRXEFHWFMYFH-CYBMUJFWSA-N 0 0 290.407 3.304 20 10 CGCDRN COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC000265423527 334685605 /nfs/dbraw/zinc/68/56/05/334685605.db2.gz QCOGLVKIGOVLLC-KRWDZBQOSA-N 0 0 299.370 3.008 20 10 CGCDRN CC(C)CC1(CNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000127493081 519626443 /nfs/dbraw/zinc/62/64/43/519626443.db2.gz VZTIUFHFETXTRF-UHFFFAOYSA-N 0 0 290.407 3.360 20 10 CGCDRN CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276927380 519807388 /nfs/dbraw/zinc/80/73/88/519807388.db2.gz NNHMUKLCRAJMSF-MMPTUQATSA-N 0 0 299.361 3.382 20 10 CGCDRN CC(C)c1ccc(C(=O)N(C)Cc2ccccc2O)nc1 ZINC000289867638 519834445 /nfs/dbraw/zinc/83/44/45/519834445.db2.gz OWVYSKGLEWQPEE-UHFFFAOYSA-N 0 0 284.359 3.183 20 10 CGCDRN CC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CCCC1 ZINC000265936644 520759876 /nfs/dbraw/zinc/75/98/76/520759876.db2.gz 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/nfs/dbraw/zinc/78/46/25/618784625.db2.gz RWESISUXGXQXET-UHFFFAOYSA-N 0 0 285.343 3.300 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(F)cc1[O-] ZINC000310544426 618799219 /nfs/dbraw/zinc/79/92/19/618799219.db2.gz DFBJOXPBWULMLD-HOTUBEGUSA-N 0 0 255.358 3.076 20 10 CGCDRN CC[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000013162794 618816415 /nfs/dbraw/zinc/81/64/15/618816415.db2.gz XDMUQPNLTXRFKP-SECBINFHSA-N 0 0 278.377 3.451 20 10 CGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000052343921 618824328 /nfs/dbraw/zinc/82/43/28/618824328.db2.gz PJUZKZKVXPYOQZ-NSHDSACASA-N 0 0 261.369 3.359 20 10 CGCDRN COc1ccc(-n2c(C)cc(CN(C)C(C)=O)c2C)cc1 ZINC000177719445 618837442 /nfs/dbraw/zinc/83/74/42/618837442.db2.gz CNPIMOFZCSVLMA-UHFFFAOYSA-N 0 0 286.375 3.081 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2=CCCC2)cc1 ZINC000177909030 618849208 /nfs/dbraw/zinc/84/92/08/618849208.db2.gz SJAAVQLUVLXOJZ-UHFFFAOYSA-N 0 0 272.392 3.259 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(CC(C)C)s2)c1 ZINC000181542505 618916769 /nfs/dbraw/zinc/91/67/69/618916769.db2.gz ZRWJRBPQEZUKKQ-UHFFFAOYSA-N 0 0 277.393 3.363 20 10 CGCDRN Cc1cc(C)cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180587780 619017296 /nfs/dbraw/zinc/01/72/96/619017296.db2.gz CZCOGLWDUPCXBZ-GQCTYLIASA-N 0 0 283.327 3.367 20 10 CGCDRN C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180609788 619017557 /nfs/dbraw/zinc/01/75/57/619017557.db2.gz FTVQRKPZXAXIHL-STRFDMGBSA-N 0 0 297.354 3.331 20 10 CGCDRN COc1ccc(N(Cc2ccco2)C[C@@H](C)OC)cc1F ZINC000182341131 619035269 /nfs/dbraw/zinc/03/52/69/619035269.db2.gz SPCMHOPKXGKHKA-GFCCVEGCSA-N 0 0 293.338 3.469 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2C=CCCC2)c1 ZINC000186872641 619073642 /nfs/dbraw/zinc/07/36/42/619073642.db2.gz YHZNVONCTBDUQP-QWHCGFSZSA-N 0 0 289.375 3.324 20 10 CGCDRN COc1ccc(N(Cc2ccn(C)n2)CC(C)C)cc1 ZINC000775985249 619108127 /nfs/dbraw/zinc/10/81/27/619108127.db2.gz MUFFAHNXSXDSDT-UHFFFAOYSA-N 0 0 273.380 3.091 20 10 CGCDRN CC[C@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000192895672 619123560 /nfs/dbraw/zinc/12/35/60/619123560.db2.gz LOSBMIQOLOPUSZ-GFCCVEGCSA-N 0 0 285.343 3.021 20 10 CGCDRN CC[C@@H](C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000054469676 619179042 /nfs/dbraw/zinc/17/90/42/619179042.db2.gz YADPPZFXUPZASW-SECBINFHSA-N 0 0 272.186 3.290 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(F)c(C)c2)cc1OC ZINC000893574375 619227081 /nfs/dbraw/zinc/22/70/81/619227081.db2.gz YAYQXGLSSUIJFH-UHFFFAOYSA-N 0 0 290.338 3.183 20 10 CGCDRN CCOc1ccc(N(C)CC2CCC(=O)CC2)cc1 ZINC000258863662 619233340 /nfs/dbraw/zinc/23/33/40/619233340.db2.gz HHKKIPZVSGLGKP-UHFFFAOYSA-N 0 0 261.365 3.281 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000894021670 619351870 /nfs/dbraw/zinc/35/18/70/619351870.db2.gz PWUIWYXWZYITSI-SNVBAGLBSA-N 0 0 279.286 3.253 20 10 CGCDRN COc1ccc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c(O)c1OC ZINC000894178408 619406996 /nfs/dbraw/zinc/40/69/96/619406996.db2.gz NIKZXMRRZBVSCR-ZDUSSCGKSA-N 0 0 293.407 3.420 20 10 CGCDRN CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185418072 625356823 /nfs/dbraw/zinc/35/68/23/625356823.db2.gz VYULYWOTYBZQCU-JSGCOSHPSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1cc(Br)cc(CN[C@H](C)C(F)F)c1O ZINC000895729286 619877236 /nfs/dbraw/zinc/87/72/36/619877236.db2.gz FQHHEUXZLUBSGM-SSDOTTSWSA-N 0 0 294.139 3.206 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844424 619892616 /nfs/dbraw/zinc/89/26/16/619892616.db2.gz FOTGYTBAMMZKMT-BMIGLBTASA-N 0 0 299.773 3.186 20 10 CGCDRN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(F)F ZINC000883406788 620001223 /nfs/dbraw/zinc/00/12/23/620001223.db2.gz ATFOZCGWCUDJSM-WYGGZMRJSA-N 0 0 254.324 3.009 20 10 CGCDRN C[C@@H]1C[C@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896522993 620021576 /nfs/dbraw/zinc/02/15/76/620021576.db2.gz VXDHKUFESRQTDG-BDAKNGLRSA-N 0 0 291.372 3.183 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1ccc(F)cc1[O-] ZINC000796750470 620142576 /nfs/dbraw/zinc/14/25/76/620142576.db2.gz ZEEVZYAOMSSVBG-SWLSCSKDSA-N 0 0 282.403 3.302 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C1CCCCCC1 ZINC000928712090 620208579 /nfs/dbraw/zinc/20/85/79/620208579.db2.gz OMQHDXZDZOZSEP-UHFFFAOYSA-N 0 0 265.328 3.118 20 10 CGCDRN COc1cc(Cl)cc(CNc2ccc(C)nc2)c1O ZINC000228676228 620269258 /nfs/dbraw/zinc/26/92/58/620269258.db2.gz MQQSVHVFLXYJEP-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN CCc1ccc(NC(=S)NCc2ncccc2F)cc1 ZINC000752765790 620295153 /nfs/dbraw/zinc/29/51/53/620295153.db2.gz DOKWKJWETLOOGD-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(-n3cccn3)cc2)c1 ZINC000237363829 620369806 /nfs/dbraw/zinc/36/98/06/620369806.db2.gz BXVLBVZRPGLKDP-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN CC[C@H](C)N(C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000080070034 620386326 /nfs/dbraw/zinc/38/63/26/620386326.db2.gz FICOHRRBOMRLOF-AWEZNQCLSA-N 0 0 291.439 3.473 20 10 CGCDRN CC[C@@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000898218357 620488626 /nfs/dbraw/zinc/48/86/26/620488626.db2.gz FRCLUPJRMOKOGE-DGCLKSJQSA-N 0 0 283.799 3.340 20 10 CGCDRN CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(Cl)c3[O-])C[C@H]2C1 ZINC000898218409 620488704 /nfs/dbraw/zinc/48/87/04/620488704.db2.gz GNWBREOADQTKFW-KPWCQOOUSA-N 0 0 295.810 3.339 20 10 CGCDRN COc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1N ZINC000841040381 620517762 /nfs/dbraw/zinc/51/77/62/620517762.db2.gz LLZNITRVMKINTJ-UHFFFAOYSA-N 0 0 289.354 3.095 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927146553 620604083 /nfs/dbraw/zinc/60/40/83/620604083.db2.gz FAMXMZVXRUDLEL-CIUDSAMLSA-N 0 0 290.190 3.121 20 10 CGCDRN CN(C)c1ccc(CNc2nccnc2C2CC2)cc1 ZINC000902165921 621180670 /nfs/dbraw/zinc/18/06/70/621180670.db2.gz PEKCVHBRHULXIA-UHFFFAOYSA-N 0 0 268.364 3.032 20 10 CGCDRN c1cc(N2CCCC2)ccc1OC[C@@H]1C[C@]12CCOC2 ZINC000902283556 621225076 /nfs/dbraw/zinc/22/50/76/621225076.db2.gz MYCAKCWRTKTHOB-YOEHRIQHSA-N 0 0 273.376 3.092 20 10 CGCDRN CN(C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC000903771793 621803706 /nfs/dbraw/zinc/80/37/06/621803706.db2.gz YVIXTBHNLBYCFU-CHWSQXEVSA-N 0 0 288.313 3.205 20 10 CGCDRN Nc1ccc(Cc2noc(C3(C4CC4)CCC3)n2)cc1 ZINC000904077502 621864494 /nfs/dbraw/zinc/86/44/94/621864494.db2.gz BJIVUSDUKVXXBJ-UHFFFAOYSA-N 0 0 269.348 3.074 20 10 CGCDRN CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000840765554 625564542 /nfs/dbraw/zinc/56/45/42/625564542.db2.gz XAVIGRKOHYSTKY-SCRDCRAPSA-N 0 0 267.344 3.140 20 10 CGCDRN CSCCCCCCC(=O)NCc1ccc(O)cc1O ZINC000910958082 622509836 /nfs/dbraw/zinc/50/98/36/622509836.db2.gz WGHYOCLLDLUADH-UHFFFAOYSA-N 0 0 297.420 3.028 20 10 CGCDRN CCCCC[C@@H](CC)C(=O)NCc1ccc(O)cc1O ZINC000910950213 622509954 /nfs/dbraw/zinc/50/99/54/622509954.db2.gz SAOATPUPWWSONN-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN C[C@@H](CCC(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910950653 622510117 /nfs/dbraw/zinc/51/01/17/622510117.db2.gz ZJELHOJPWQPRHW-ZDUSSCGKSA-N 0 0 299.370 3.298 20 10 CGCDRN CC[C@H](CC1CCCC1)C(=O)NCc1ccc(O)cc1O ZINC000910950998 622510321 /nfs/dbraw/zinc/51/03/21/622510321.db2.gz MZEKXEQCSKZDMX-CYBMUJFWSA-N 0 0 291.391 3.321 20 10 CGCDRN CCCC[C@@H](C(=O)NCc1ccc(O)cc1O)C(C)C ZINC000910943879 622511632 /nfs/dbraw/zinc/51/16/32/622511632.db2.gz PSTGNLSSPUXXLI-CQSZACIVSA-N 0 0 279.380 3.176 20 10 CGCDRN Cc1cc(C)c(O)c(CN(C)Cc2nccs2)c1 ZINC000164442132 622835432 /nfs/dbraw/zinc/83/54/32/622835432.db2.gz AOHLPAGKRMPKGN-UHFFFAOYSA-N 0 0 262.378 3.098 20 10 CGCDRN CN(Cc1cc2c(cc1O)OCO2)c1ccc(F)c(F)c1 ZINC000164682827 622843103 /nfs/dbraw/zinc/84/31/03/622843103.db2.gz KHBLOEAVSDNHJR-UHFFFAOYSA-N 0 0 293.269 3.036 20 10 CGCDRN Cc1cc(Cl)ccc1C(=O)NCc1ccccc1O ZINC000225297862 622903364 /nfs/dbraw/zinc/90/33/64/622903364.db2.gz XEQDCKPTEFIRNF-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN CC(=O)Nc1cc(NCc2cc(F)ccc2O)ccc1C ZINC000226581002 622984234 /nfs/dbraw/zinc/98/42/34/622984234.db2.gz VVZRMXMNUGVEJI-UHFFFAOYSA-N 0 0 288.322 3.410 20 10 CGCDRN CCC1(C)CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000062960015 623284691 /nfs/dbraw/zinc/28/46/91/623284691.db2.gz GUTVWXOAUHQWDY-UHFFFAOYSA-N 0 0 261.369 3.313 20 10 CGCDRN CCCC(CCC)C(=O)NCc1cc(OC)ccc1O ZINC000151722452 623562418 /nfs/dbraw/zinc/56/24/18/623562418.db2.gz MSLZIRXUMOJHMV-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN Cc1cc(C)c(CC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000913726390 623569781 /nfs/dbraw/zinc/56/97/81/623569781.db2.gz NZJDPOVISASFPT-UHFFFAOYSA-N 0 0 287.384 3.155 20 10 CGCDRN CCC[C@@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000915887242 624073205 /nfs/dbraw/zinc/07/32/05/624073205.db2.gz SAZFOGOCNCAPCM-CQSZACIVSA-N 0 0 291.439 3.473 20 10 CGCDRN O=C(c1ccc[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000154016712 624164368 /nfs/dbraw/zinc/16/43/68/624164368.db2.gz YDCYMEFNVMYFNW-UHFFFAOYSA-N 0 0 296.326 3.156 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(N3CCCC3)cn2)cc1 ZINC000916842335 624217576 /nfs/dbraw/zinc/21/75/76/624217576.db2.gz CSKWRXCNURNZHQ-UHFFFAOYSA-N 0 0 296.418 3.360 20 10 CGCDRN COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(O)c1O ZINC000916855213 624218366 /nfs/dbraw/zinc/21/83/66/624218366.db2.gz ZBFGEFNREIYVEQ-UHFFFAOYSA-N 0 0 284.315 3.267 20 10 CGCDRN CCCNC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917593032 624294328 /nfs/dbraw/zinc/29/43/28/624294328.db2.gz DESZGGBEZALOHG-UHFFFAOYSA-N 0 0 293.480 3.248 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)nc2)cc1F ZINC000154761713 624364320 /nfs/dbraw/zinc/36/43/20/624364320.db2.gz NQWBNIAMYVVSDZ-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN CCN(C)c1ccc(Cn2ccnc2C(F)(F)F)cc1 ZINC000919918526 624431915 /nfs/dbraw/zinc/43/19/15/624431915.db2.gz NYBCHANWJWLYQY-UHFFFAOYSA-N 0 0 283.297 3.406 20 10 CGCDRN CNC(=S)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000921270978 624579254 /nfs/dbraw/zinc/57/92/54/624579254.db2.gz RQODIPOXIBEBEJ-UHFFFAOYSA-N 0 0 291.464 3.049 20 10 CGCDRN CONC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000068063726 624675101 /nfs/dbraw/zinc/67/51/01/624675101.db2.gz JOMFLXZOIHJJIO-UHFFFAOYSA-N 0 0 278.739 3.039 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCCCCCC1 ZINC000180588296 624759830 /nfs/dbraw/zinc/75/98/30/624759830.db2.gz QATSMSAHAXAEMV-PKNBQFBNSA-N 0 0 289.375 3.340 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)c1csc2ccccc12 ZINC000182509511 625009284 /nfs/dbraw/zinc/00/92/84/625009284.db2.gz ACUVPPJAGUNDHY-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ncc(C)cc2C)c1 ZINC000243935713 625023877 /nfs/dbraw/zinc/02/38/77/625023877.db2.gz RVEJJJJFLVNZEC-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1c(F)ccc(F)c1F ZINC000184312369 625221532 /nfs/dbraw/zinc/22/15/32/625221532.db2.gz SSDCPHZIBYPKNT-UHFFFAOYSA-N 0 0 295.260 3.082 20 10 CGCDRN CCCn1cc(N[C@H](C)c2cc(C)ccc2O)cn1 ZINC000186339788 625790792 /nfs/dbraw/zinc/79/07/92/625790792.db2.gz VUABGSNYQBAFRS-GFCCVEGCSA-N 0 0 259.353 3.480 20 10 CGCDRN COC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccco1 ZINC000921809366 625885590 /nfs/dbraw/zinc/88/55/90/625885590.db2.gz LOGIMXVEVPXCNO-OAHLLOKOSA-N 0 0 287.359 3.082 20 10 CGCDRN CCC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000922824935 626049651 /nfs/dbraw/zinc/04/96/51/626049651.db2.gz KRDUFSUMZZFMPR-NSHDSACASA-N 0 0 292.206 3.340 20 10 CGCDRN O=C(/C=C/c1ccco1)NCCCSc1nccs1 ZINC000074136447 626125031 /nfs/dbraw/zinc/12/50/31/626125031.db2.gz GVQVWXSNUIQRMP-SNAWJCMRSA-N 0 0 294.401 3.048 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2CCC=CCC2)cc1 ZINC000873860444 634486452 /nfs/dbraw/zinc/48/64/52/634486452.db2.gz MQQMTADEDHXMEY-UHFFFAOYSA-N 0 0 286.419 3.457 20 10 CGCDRN CCOc1ccc(N(C)CCn2cc(Cl)cn2)cc1 ZINC000838853915 626269817 /nfs/dbraw/zinc/26/98/17/626269817.db2.gz OFDNIOWTJIBJOD-UHFFFAOYSA-N 0 0 279.771 3.072 20 10 CGCDRN C/C=C(/CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000788963418 626357359 /nfs/dbraw/zinc/35/73/59/626357359.db2.gz GXNMNXFXWFETIQ-UHJIQDEKSA-N 0 0 260.381 3.286 20 10 CGCDRN CSCCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886530387 626361426 /nfs/dbraw/zinc/36/14/26/626361426.db2.gz IWLHANZMCUGDAI-SNVBAGLBSA-N 0 0 257.374 3.325 20 10 CGCDRN Cc1cc(C)cc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000751529885 626394682 /nfs/dbraw/zinc/39/46/82/626394682.db2.gz IKUCNSJSEXHSBA-UHFFFAOYSA-N 0 0 271.316 3.275 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NCC2(C)CC2)cc1 ZINC000752006265 626415147 /nfs/dbraw/zinc/41/51/47/626415147.db2.gz ZFCWOAJUESTTCR-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CCCCC2)c1 ZINC000756344813 626694194 /nfs/dbraw/zinc/69/41/94/626694194.db2.gz VXGISUGZEARJFV-LBPRGKRZSA-N 0 0 291.391 3.410 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccccc2)c1 ZINC000756354609 626695246 /nfs/dbraw/zinc/69/52/46/626695246.db2.gz GHLSCUZJMILUMN-CYBMUJFWSA-N 0 0 299.370 3.072 20 10 CGCDRN Cc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000756415176 626703700 /nfs/dbraw/zinc/70/37/00/626703700.db2.gz AXETUMLIJYYLBH-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC(C)(C)C)c1 ZINC000756466958 626707777 /nfs/dbraw/zinc/70/77/77/626707777.db2.gz RQCWQWJMIRUAKX-LLVKDONJSA-N 0 0 279.380 3.266 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756483901 626708922 /nfs/dbraw/zinc/70/89/22/626708922.db2.gz ZGRQQBUGLRFIDJ-IUCAKERBSA-N 0 0 255.308 3.367 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000756571409 626716243 /nfs/dbraw/zinc/71/62/43/626716243.db2.gz ZFOIBDZYHRIHRL-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756578057 626717700 /nfs/dbraw/zinc/71/77/00/626717700.db2.gz WJMQBLAFPPOVMW-FEUHOPSXSA-N 0 0 287.350 3.118 20 10 CGCDRN CSCC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756586940 626718864 /nfs/dbraw/zinc/71/88/64/626718864.db2.gz XADXZIAZASHPLX-IUCAKERBSA-N 0 0 275.364 3.463 20 10 CGCDRN CC(C)[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592934 626719151 /nfs/dbraw/zinc/71/91/51/626719151.db2.gz KCXJCQRWMOTPJD-GHMZBOCLSA-N 0 0 266.341 3.243 20 10 CGCDRN Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756639651 626723303 /nfs/dbraw/zinc/72/33/03/626723303.db2.gz BHSGRAARMFFHQI-SNVBAGLBSA-N 0 0 292.354 3.420 20 10 CGCDRN CN(C/C(Cl)=C\Cl)c1ccc2c(c1)OCO2 ZINC000756657943 626725107 /nfs/dbraw/zinc/72/51/07/626725107.db2.gz GGTFDKGBIHWUPM-VMPITWQZSA-N 0 0 260.120 3.171 20 10 CGCDRN C[C@H]([NH2+]CCSC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756683911 626726414 /nfs/dbraw/zinc/72/64/14/626726414.db2.gz WRMUAUKRRQYVCJ-JTQLQIEISA-N 0 0 298.408 3.483 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc(F)cc(F)c1[O-] ZINC000756733572 626728678 /nfs/dbraw/zinc/72/86/78/626728678.db2.gz QEHIIQNSQNUSJO-MWLCHTKSSA-N 0 0 253.292 3.430 20 10 CGCDRN Cc1ncc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756761700 626729892 /nfs/dbraw/zinc/72/98/92/626729892.db2.gz RDLPBOPYGWCGJB-MRVPVSSYSA-N 0 0 298.358 3.329 20 10 CGCDRN CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756791252 626732556 /nfs/dbraw/zinc/73/25/56/626732556.db2.gz RCMJDRRYBWCKQQ-BONVTDFDSA-N 0 0 299.361 3.118 20 10 CGCDRN COc1ccc(N[C@@H](C)c2ccc(C)cc2O)nc1 ZINC000756845097 626737128 /nfs/dbraw/zinc/73/71/28/626737128.db2.gz OTVNSPYJVNOQIL-NSHDSACASA-N 0 0 258.321 3.277 20 10 CGCDRN CCCn1cc(N[C@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756848450 626737292 /nfs/dbraw/zinc/73/72/92/626737292.db2.gz LQXLCOSYTNDWPI-SECBINFHSA-N 0 0 281.306 3.450 20 10 CGCDRN O=C(OCc1nc2cc(F)ccc2o1)C1=CC(=O)CS1 ZINC000757070287 626752586 /nfs/dbraw/zinc/75/25/86/626752586.db2.gz ONGSISWRGRBMGO-UHFFFAOYSA-N 0 0 293.275 3.091 20 10 CGCDRN CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103514176 626764795 /nfs/dbraw/zinc/76/47/95/626764795.db2.gz ZRJGDZYTBQZKFE-TUAOUCFPSA-N 0 0 294.395 3.196 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1cccc(C)n1)CCC2 ZINC000839656987 626770996 /nfs/dbraw/zinc/77/09/96/626770996.db2.gz XMJUDJZPJQZRCJ-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN Cc1ccc(NC(=O)COc2ccc(N(C)C)cc2)c(C)c1 ZINC000757704621 626802361 /nfs/dbraw/zinc/80/23/61/626802361.db2.gz MZCNPLOCBJRMON-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000758725561 626856870 /nfs/dbraw/zinc/85/68/70/626856870.db2.gz WDHDFFUPVJDLLH-KXUCPTDWSA-N 0 0 253.367 3.008 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000758725564 626856927 /nfs/dbraw/zinc/85/69/27/626856927.db2.gz WDHDFFUPVJDLLH-UTLUCORTSA-N 0 0 253.367 3.008 20 10 CGCDRN CC1(C)Cc2cc(NC(=O)C3=CC(=O)CS3)ccc2O1 ZINC000759465784 626900613 /nfs/dbraw/zinc/90/06/13/626900613.db2.gz LOPQQFQGHZSLJZ-UHFFFAOYSA-N 0 0 289.356 3.420 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCC1CCCC1 ZINC000759593884 626908126 /nfs/dbraw/zinc/90/81/26/626908126.db2.gz KAJNABSERGFWIZ-SOFGYWHQSA-N 0 0 276.332 3.235 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@H](C)C(F)(F)F ZINC000759999564 626935891 /nfs/dbraw/zinc/93/58/91/626935891.db2.gz OZQSFOUABVAZQB-SNVBAGLBSA-N 0 0 260.303 3.101 20 10 CGCDRN Cc1cc(CN(C)c2ccc(OC(C)C)cc2)nn1C ZINC000759933762 626931707 /nfs/dbraw/zinc/93/17/07/626931707.db2.gz PKYRIEZMTCGJEP-UHFFFAOYSA-N 0 0 273.380 3.152 20 10 CGCDRN CCN(CCC1CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000760596011 626980300 /nfs/dbraw/zinc/98/03/00/626980300.db2.gz HPXREJBSQKJUQG-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN CCOc1ccc(N(CC)Cc2ncc(C)cn2)cc1 ZINC000760855161 626996357 /nfs/dbraw/zinc/99/63/57/626996357.db2.gz JWJBWSURCNPOCP-UHFFFAOYSA-N 0 0 271.364 3.210 20 10 CGCDRN CC[C@H]1C[C@H](CN(C)c2ccc(OC)c(OC)c2)CCO1 ZINC000761222215 627026344 /nfs/dbraw/zinc/02/63/44/627026344.db2.gz RJJLWYLMAHEBQL-HIFRSBDPSA-N 0 0 293.407 3.345 20 10 CGCDRN CCCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000761542553 627048579 /nfs/dbraw/zinc/04/85/79/627048579.db2.gz SAPFURCUWFQKKC-LLVKDONJSA-N 0 0 277.364 3.158 20 10 CGCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)C1=CCCC1 ZINC000839793903 627085002 /nfs/dbraw/zinc/08/50/02/627085002.db2.gz XKVLLWYGANZOSB-UHFFFAOYSA-N 0 0 265.378 3.320 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccn(C)c2)cc1 ZINC000763206539 627145051 /nfs/dbraw/zinc/14/50/51/627145051.db2.gz YUEXTQWNYQMIEH-UHFFFAOYSA-N 0 0 299.418 3.144 20 10 CGCDRN O=C(OCc1ccn(C2CCCC2)n1)C1=CC(=O)CS1 ZINC000763973316 627188945 /nfs/dbraw/zinc/18/89/45/627188945.db2.gz RPUXGYUNDHZKJY-UHFFFAOYSA-N 0 0 292.360 3.122 20 10 CGCDRN CN(C)c1ccc(CNc2cncc(F)c2)cc1F ZINC000764832104 627227374 /nfs/dbraw/zinc/22/73/74/627227374.db2.gz PCLQFIORWTVNJT-UHFFFAOYSA-N 0 0 263.291 3.038 20 10 CGCDRN Cn1c(Sc2ncc(Cl)s2)nnc1C(F)F ZINC000765062551 627239112 /nfs/dbraw/zinc/23/91/12/627239112.db2.gz VDLJDNKOWWWJOH-UHFFFAOYSA-N 0 0 282.728 3.014 20 10 CGCDRN C/C=C(/C=C\C(=O)NCc1ccc(N(C)C)c(F)c1)CC ZINC000765337385 627246313 /nfs/dbraw/zinc/24/63/13/627246313.db2.gz XKKNODUQETWECT-KEIICBDLSA-N 0 0 290.382 3.420 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCCn1ccnc1C ZINC000766270825 627309176 /nfs/dbraw/zinc/30/91/76/627309176.db2.gz UWKBAWLYIAPSDX-UHFFFAOYSA-N 0 0 299.418 3.433 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCCCCO ZINC000766270786 627309304 /nfs/dbraw/zinc/30/93/04/627309304.db2.gz TYFCEZKALKXOJB-UHFFFAOYSA-N 0 0 263.381 3.001 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)c1c[nH]c2ncccc12 ZINC000767199883 627389889 /nfs/dbraw/zinc/38/98/89/627389889.db2.gz ZCEAHIRVXQEWKJ-MRVPVSSYSA-N 0 0 289.385 3.383 20 10 CGCDRN O=C(Cc1ccc(F)cc1Cl)NCc1ccccc1O ZINC000767925531 627444367 /nfs/dbraw/zinc/44/43/67/627444367.db2.gz COXXRFSTDSPWER-UHFFFAOYSA-N 0 0 293.725 3.044 20 10 CGCDRN C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768143859 627463080 /nfs/dbraw/zinc/46/30/80/627463080.db2.gz PTNFPQJNPQBFII-SECBINFHSA-N 0 0 284.743 3.328 20 10 CGCDRN CC(C)CC[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000768348823 627475035 /nfs/dbraw/zinc/47/50/35/627475035.db2.gz WEAWQZBBFHPTLQ-LLVKDONJSA-N 0 0 267.394 3.495 20 10 CGCDRN COc1cccc(O)c1CN1CCC[C@H]1c1cc(C)on1 ZINC000768430598 627479708 /nfs/dbraw/zinc/47/97/08/627479708.db2.gz QPAZPNXHDNABCI-AWEZNQCLSA-N 0 0 288.347 3.034 20 10 CGCDRN CCOc1cccc(NCc2ccc(N(C)C)cc2)n1 ZINC000769406909 627549448 /nfs/dbraw/zinc/54/94/48/627549448.db2.gz VNFRGUYVAYLCQE-UHFFFAOYSA-N 0 0 271.364 3.158 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000769492657 627559980 /nfs/dbraw/zinc/55/99/80/627559980.db2.gz LMNTULBULDAJJZ-UHFFFAOYSA-N 0 0 288.435 3.288 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(C)c2C2CC2)c1 ZINC000769978975 627594348 /nfs/dbraw/zinc/59/43/48/627594348.db2.gz DLCSHBCHVUMPHG-SNVBAGLBSA-N 0 0 287.363 3.185 20 10 CGCDRN C[C@@H](Nc1cnn(C)c1C1CC1)c1ccc(F)cc1O ZINC000769982499 627594490 /nfs/dbraw/zinc/59/44/90/627594490.db2.gz XPDKWMAMHUBJAB-SECBINFHSA-N 0 0 275.327 3.315 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cnc2c(C)cccn12 ZINC000772598332 627805826 /nfs/dbraw/zinc/80/58/26/627805826.db2.gz KXUAKBGOPOSSMH-UHFFFAOYSA-N 0 0 293.370 3.214 20 10 CGCDRN CC(C)OCCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773006698 627840836 /nfs/dbraw/zinc/84/08/36/627840836.db2.gz FFMIFSJRCWWIFW-AWEZNQCLSA-N 0 0 292.423 3.135 20 10 CGCDRN C/C(=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000773008980 627841299 /nfs/dbraw/zinc/84/12/99/627841299.db2.gz IWNSWQMBJRLPAS-YLGBQOPLSA-N 0 0 272.392 3.286 20 10 CGCDRN C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(N(C)C)cc1 ZINC000773015470 627842405 /nfs/dbraw/zinc/84/24/05/627842405.db2.gz OUFZGNFVQKGWKT-JTQLQIEISA-N 0 0 292.766 3.490 20 10 CGCDRN CC(C)SCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773013071 627842412 /nfs/dbraw/zinc/84/24/12/627842412.db2.gz ZRXXILPJGMDBPB-GFCCVEGCSA-N 0 0 280.437 3.071 20 10 CGCDRN CC(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017192 627843113 /nfs/dbraw/zinc/84/31/13/627843113.db2.gz UPZJIPXLFREDEW-STQMWFEESA-N 0 0 262.397 3.222 20 10 CGCDRN C[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000773373156 627876176 /nfs/dbraw/zinc/87/61/76/627876176.db2.gz ZICAWZFEQZDEJK-QWHCGFSZSA-N 0 0 289.423 3.159 20 10 CGCDRN O=C(Nc1nc(C2CCC2)cs1)C1=CC(=O)CS1 ZINC000774460445 627993197 /nfs/dbraw/zinc/99/31/97/627993197.db2.gz NHAXKAUFPCGRLS-UHFFFAOYSA-N 0 0 280.374 3.430 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)ccc1O ZINC000775493515 628100097 /nfs/dbraw/zinc/10/00/97/628100097.db2.gz UNBOBMMURKASSV-TZMCWYRMSA-N 0 0 282.815 3.181 20 10 CGCDRN Cc1ccnc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775730332 628130225 /nfs/dbraw/zinc/13/02/25/628130225.db2.gz KHWQWZSYWYYDHG-CYBMUJFWSA-N 0 0 298.390 3.339 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1F ZINC000775851002 628141639 /nfs/dbraw/zinc/14/16/39/628141639.db2.gz SCOKBEDDHYPJQK-UHFFFAOYSA-N 0 0 295.741 3.483 20 10 CGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccncc1 ZINC000776222697 628182438 /nfs/dbraw/zinc/18/24/38/628182438.db2.gz RGMHXFCDIRFEAT-SNVBAGLBSA-N 0 0 294.757 3.473 20 10 CGCDRN O=C(NCc1ccc2ccccc2c1)c1cccc(O)c1O ZINC000776328142 628194115 /nfs/dbraw/zinc/19/41/15/628194115.db2.gz PQOSXCOYYFQDFF-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2ccc(C)cc21 ZINC000776799884 628233227 /nfs/dbraw/zinc/23/32/27/628233227.db2.gz OFTYQWXHPFEWPD-AATRIKPKSA-N 0 0 284.384 3.362 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(C3CC3)s2)c1 ZINC000777507045 628276720 /nfs/dbraw/zinc/27/67/20/628276720.db2.gz NJEDDCHIHMVHLR-UHFFFAOYSA-N 0 0 261.350 3.042 20 10 CGCDRN CN1CCC[C@@H](Sc2ncc(C(C)(C)C)s2)C1=O ZINC000778556355 628357134 /nfs/dbraw/zinc/35/71/34/628357134.db2.gz KVURVXYHUJVPIE-SECBINFHSA-N 0 0 284.450 3.154 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ZINC000814308737 631569862 /nfs/dbraw/zinc/56/98/62/631569862.db2.gz RKOAZDFMUZRMCW-UHFFFAOYSA-N 0 0 291.439 3.377 20 10 CGCDRN CCOc1ccc(N(C)CCC2CCOCC2)cc1 ZINC000814624308 631614171 /nfs/dbraw/zinc/61/41/71/631614171.db2.gz RWRQFCBLZNZUJL-UHFFFAOYSA-N 0 0 263.381 3.338 20 10 CGCDRN COC(=O)c1csc(Sc2ncc(Cl)s2)n1 ZINC000814941114 631693902 /nfs/dbraw/zinc/69/39/02/631693902.db2.gz CCVADIGMXNIXFS-UHFFFAOYSA-N 0 0 292.794 3.191 20 10 CGCDRN CC1(C)CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000815163562 631733243 /nfs/dbraw/zinc/73/32/43/631733243.db2.gz PNMGBTGGFALZIV-GFCCVEGCSA-N 0 0 278.352 3.216 20 10 CGCDRN C[C@H]([NH2+]CCCCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000815622456 631808070 /nfs/dbraw/zinc/80/80/70/631808070.db2.gz VWUCBLIGVSGYHZ-JTQLQIEISA-N 0 0 291.313 3.224 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815625794 631808664 /nfs/dbraw/zinc/80/86/64/631808664.db2.gz MKSCDFPXPNWSDF-VHSXEESVSA-N 0 0 290.329 3.012 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1sccc1F ZINC000815629696 631809396 /nfs/dbraw/zinc/80/93/96/631809396.db2.gz KGAUBVXGBRKRMG-UHFFFAOYSA-N 0 0 292.379 3.192 20 10 CGCDRN NC(=O)c1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816524941 632003867 /nfs/dbraw/zinc/00/38/67/632003867.db2.gz XTLVMDSDSZNQPY-UHFFFAOYSA-N 0 0 292.338 3.256 20 10 CGCDRN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560734 632013147 /nfs/dbraw/zinc/01/31/47/632013147.db2.gz YOFLCCSNBRTGLP-YMTOWFKASA-N 0 0 287.762 3.089 20 10 CGCDRN C[N@H+](Cc1cccnc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816564404 632013353 /nfs/dbraw/zinc/01/33/53/632013353.db2.gz FCTBNYFTARXRTJ-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN COCCC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816596350 632019249 /nfs/dbraw/zinc/01/92/49/632019249.db2.gz YQJKXNUHNJZWBO-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN CC[C@H]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000817216870 632095649 /nfs/dbraw/zinc/09/56/49/632095649.db2.gz WKKWPXRZEIQHDW-HAQNSBGRSA-N 0 0 277.364 3.105 20 10 CGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cncnc1 ZINC000817418264 632146909 /nfs/dbraw/zinc/14/69/09/632146909.db2.gz IHHQSCWDFJBABW-MRXNPFEDSA-N 0 0 297.402 3.320 20 10 CGCDRN COC[C@H](C)CC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762671 632222950 /nfs/dbraw/zinc/22/29/50/632222950.db2.gz XOROWXFUTLBZAM-LLVKDONJSA-N 0 0 289.375 3.373 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)COC(C)C)cc12 ZINC000817761036 632223272 /nfs/dbraw/zinc/22/32/72/632223272.db2.gz KHYAAADLKDAWRW-UHFFFAOYSA-N 0 0 275.348 3.126 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](C2CCCC2)C1 ZINC000817766306 632224321 /nfs/dbraw/zinc/22/43/21/632224321.db2.gz OTTLNNCTBFYKIW-NSHDSACASA-N 0 0 265.378 3.106 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(F)cc1[O-] ZINC000817982314 632272662 /nfs/dbraw/zinc/27/26/62/632272662.db2.gz RNSWVVCQFOZYNV-GJZGRUSLSA-N 0 0 280.387 3.090 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(F)F)cc1 ZINC000818257766 632302294 /nfs/dbraw/zinc/30/22/94/632302294.db2.gz TTZZXPREFSVGMD-UHFFFAOYSA-N 0 0 292.329 3.479 20 10 CGCDRN CC1(C(=O)NCCc2ccc(N)cc2)CCCCCC1 ZINC000818544720 632331756 /nfs/dbraw/zinc/33/17/56/632331756.db2.gz JGYGKFTVUSNFOU-UHFFFAOYSA-N 0 0 274.408 3.288 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@H]2CCC(=O)O2)s1 ZINC000821084926 632721728 /nfs/dbraw/zinc/72/17/28/632721728.db2.gz UQXNGVHHBTVAIR-MRVPVSSYSA-N 0 0 271.407 3.238 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(N3CCOC3=O)c2)c1 ZINC000103855528 632744468 /nfs/dbraw/zinc/74/44/68/632744468.db2.gz XMVQXYCBOOOQOT-UHFFFAOYSA-N 0 0 298.342 3.269 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCCCSc1nccs1 ZINC000865784984 632889978 /nfs/dbraw/zinc/88/99/78/632889978.db2.gz KYKWUIRMHPRVHY-NOOOWODRSA-N 0 0 296.461 3.034 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000822539813 632965540 /nfs/dbraw/zinc/96/55/40/632965540.db2.gz MOMCOAFRUFAIDX-DIYOJNKTSA-N 0 0 255.720 3.073 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccnc(Cl)c1F ZINC000823375433 633095254 /nfs/dbraw/zinc/09/52/54/633095254.db2.gz QKBMQWAGWPHHQO-UHFFFAOYSA-N 0 0 292.741 3.445 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC23CC3)c1 ZINC000866411123 633127447 /nfs/dbraw/zinc/12/74/47/633127447.db2.gz CWOCLKKBKVRYKG-IAQYHMDHSA-N 0 0 289.375 3.162 20 10 CGCDRN C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866415775 633128074 /nfs/dbraw/zinc/12/80/74/633128074.db2.gz FAMXMZVXRUDLEL-HLTSFMKQSA-N 0 0 290.190 3.121 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000866487900 633156751 /nfs/dbraw/zinc/15/67/51/633156751.db2.gz HQDTYBWTJCNFIP-SZEHBUNVSA-N 0 0 273.348 3.215 20 10 CGCDRN O=C(CCCF)NCc1ccc(N2CCCCC2)cc1 ZINC000824261300 633219835 /nfs/dbraw/zinc/21/98/35/633219835.db2.gz AAKGYNYPBTVFMH-UHFFFAOYSA-N 0 0 278.371 3.043 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(F)cc1[O-] ZINC000866632668 633221873 /nfs/dbraw/zinc/22/18/73/633221873.db2.gz AYWAVRXITZSEOW-UONOGXRCSA-N 0 0 289.354 3.304 20 10 CGCDRN CC[C@@H](N[C@H](C)c1cc(OC)ccc1O)C(F)F ZINC000824508584 633251599 /nfs/dbraw/zinc/25/15/99/633251599.db2.gz FODAQUFTZMDYQU-LDYMZIIASA-N 0 0 259.296 3.095 20 10 CGCDRN CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)C(F)F ZINC000824508583 633251703 /nfs/dbraw/zinc/25/17/03/633251703.db2.gz FODAQUFTZMDYQU-KWQFWETISA-N 0 0 259.296 3.095 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OC ZINC000824597563 633263369 /nfs/dbraw/zinc/26/33/69/633263369.db2.gz URGPYWJHRSBVQY-XPTSAGLGSA-N 0 0 289.778 3.335 20 10 CGCDRN CC(C)n1cccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000121966978 633289788 /nfs/dbraw/zinc/28/97/88/633289788.db2.gz ROGKDHRSSHLJRJ-UHFFFAOYSA-N 0 0 285.391 3.065 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])c2nccn21 ZINC000825017585 633318999 /nfs/dbraw/zinc/31/89/99/633318999.db2.gz VLXFSQWKYFAPGD-JOYOIKCWSA-N 0 0 277.755 3.038 20 10 CGCDRN CC(C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868433951 633323695 /nfs/dbraw/zinc/32/36/95/633323695.db2.gz YUUUSYVNINXARK-NEPJUHHUSA-N 0 0 264.369 3.187 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133717 633331395 /nfs/dbraw/zinc/33/13/95/633331395.db2.gz LTEFTCCDHRUVRW-HNNXBMFYSA-N 0 0 299.773 3.187 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CC[C@H](C)C1)c1ccccc1O ZINC000868565850 633336512 /nfs/dbraw/zinc/33/65/12/633336512.db2.gz DFEHFQSUFXOHGU-RWMBFGLXSA-N 0 0 276.380 3.189 20 10 CGCDRN COC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000825294692 633342146 /nfs/dbraw/zinc/34/21/46/633342146.db2.gz WRLMGFLUOOSESN-JTQLQIEISA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1O ZINC000868720622 633355247 /nfs/dbraw/zinc/35/52/47/633355247.db2.gz AOBWXTSNIFBXGO-WHOFXGATSA-N 0 0 288.391 3.189 20 10 CGCDRN C[C@@H](NC(=O)NCC[C@@]1(C)CC1(F)F)c1ccccc1O ZINC000868776444 633361821 /nfs/dbraw/zinc/36/18/21/633361821.db2.gz HWYPTVXLJJBKLP-YGRLFVJLSA-N 0 0 298.333 3.188 20 10 CGCDRN COc1ccc(O)c(CNc2cncc3c2CCCC3)c1 ZINC000826815828 633435325 /nfs/dbraw/zinc/43/53/25/633435325.db2.gz PESAAMJUASVRGQ-UHFFFAOYSA-N 0 0 284.359 3.287 20 10 CGCDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000844954679 635989797 /nfs/dbraw/zinc/98/97/97/635989797.db2.gz RYAHNKRTEKJHET-SKDRFNHKSA-N 0 0 282.771 3.033 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000827166949 633467031 /nfs/dbraw/zinc/46/70/31/633467031.db2.gz LUKQWKCKHYNXKA-ZSOGYDGISA-N 0 0 273.376 3.143 20 10 CGCDRN C[C@@H](NC(=O)CO[C@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000827937552 633537558 /nfs/dbraw/zinc/53/75/58/633537558.db2.gz YUPQGWSBTRZRMS-MJBXVCDLSA-N 0 0 291.391 3.165 20 10 CGCDRN CC(=O)CCCCCCC(=O)N[C@H](C)c1ccccc1O ZINC000827941626 633538239 /nfs/dbraw/zinc/53/82/39/633538239.db2.gz UCEMHXAAOLJZEP-CQSZACIVSA-N 0 0 291.391 3.499 20 10 CGCDRN C[C@@H](NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000827952456 633539508 /nfs/dbraw/zinc/53/95/08/633539508.db2.gz SVUYXPSYCFIEOI-LSSIXWDNSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@@H](NC(=O)C[C@H](C)c1ccco1)c1ccccc1O ZINC000827955957 633539564 /nfs/dbraw/zinc/53/95/64/633539564.db2.gz HYJZVBMKRUELIJ-NWDGAFQWSA-N 0 0 273.332 3.356 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccccc1O ZINC000827952575 633539984 /nfs/dbraw/zinc/53/99/84/633539984.db2.gz XUDKFWWOQRAWDS-BYCMXARLSA-N 0 0 273.376 3.396 20 10 CGCDRN Cc1ccc(COCC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827957606 633540342 /nfs/dbraw/zinc/54/03/42/633540342.db2.gz WJQPBIHQMOJBDZ-CQSZACIVSA-N 0 0 299.370 3.095 20 10 CGCDRN Cc1coc(C)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827963862 633541218 /nfs/dbraw/zinc/54/12/18/633541218.db2.gz COTDYTGQAVTYNO-JTQLQIEISA-N 0 0 259.305 3.093 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000827960423 633541367 /nfs/dbraw/zinc/54/13/67/633541367.db2.gz OWYPJHHEWXVYHX-FRRDWIJNSA-N 0 0 261.365 3.396 20 10 CGCDRN CCn1ccc(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000827986752 633544657 /nfs/dbraw/zinc/54/46/57/633544657.db2.gz QKMINYMJFKHGRW-NSHDSACASA-N 0 0 272.348 3.013 20 10 CGCDRN CCOCCCCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827987182 633544733 /nfs/dbraw/zinc/54/47/33/633544733.db2.gz ZEPYPUFMNASUMY-ZDUSSCGKSA-N 0 0 279.380 3.166 20 10 CGCDRN CCCCC1(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000828328008 633605638 /nfs/dbraw/zinc/60/56/38/633605638.db2.gz VKLUITGVXNYIHO-UHFFFAOYSA-N 0 0 259.349 3.205 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC1CCC(F)CC1 ZINC000828382280 633609583 /nfs/dbraw/zinc/60/95/83/633609583.db2.gz RIIHDUGGLTTXRU-UHFFFAOYSA-N 0 0 294.370 3.062 20 10 CGCDRN O=C(CCCOc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871200050 633722271 /nfs/dbraw/zinc/72/22/71/633722271.db2.gz YMIOTUBLOGFOIC-UHFFFAOYSA-N 0 0 297.354 3.094 20 10 CGCDRN CCCC[C@@H](CC)C(=O)N1Cc2cccc(O)c2C1 ZINC000871198347 633722354 /nfs/dbraw/zinc/72/23/54/633722354.db2.gz HZEXLDOSENJMHK-GFCCVEGCSA-N 0 0 261.365 3.451 20 10 CGCDRN CC[C@@H](Nc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871201692 633723003 /nfs/dbraw/zinc/72/30/03/633723003.db2.gz YUCZNFODOFWVHB-MRXNPFEDSA-N 0 0 296.370 3.125 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203858 633724121 /nfs/dbraw/zinc/72/41/21/633724121.db2.gz UKSIDFDGPAEIHF-STQMWFEESA-N 0 0 299.395 3.408 20 10 CGCDRN CC(C)C[C@H](C)OCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871204373 633724439 /nfs/dbraw/zinc/72/44/39/633724439.db2.gz ZMPJLQALUDRCMV-ZDUSSCGKSA-N 0 0 291.391 3.076 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](C2CCC2)CC1 ZINC000871223383 633732973 /nfs/dbraw/zinc/73/29/73/633732973.db2.gz UVXPASZRDUHHEA-CYBMUJFWSA-N 0 0 289.375 3.140 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cnccc1C ZINC000830140441 633831762 /nfs/dbraw/zinc/83/17/62/633831762.db2.gz DCHLLRYTQIBTIY-UHFFFAOYSA-N 0 0 298.386 3.077 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)NCc1ccccc1 ZINC000871847887 633893600 /nfs/dbraw/zinc/89/36/00/633893600.db2.gz ZGPFRZZQPBSFFD-UHFFFAOYSA-N 0 0 297.402 3.235 20 10 CGCDRN CCCOc1ccc(C[NH2+]C[C@@](C)(CC)C(=O)[O-])cc1C ZINC000871877939 633906684 /nfs/dbraw/zinc/90/66/84/633906684.db2.gz ZQGPVDLUAKXABF-QGZVFWFLSA-N 0 0 293.407 3.374 20 10 CGCDRN CCC[C@@H](C)[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000831406172 633954515 /nfs/dbraw/zinc/95/45/15/633954515.db2.gz KZGWHHLUFKRGHS-CZUORRHYSA-N 0 0 274.408 3.239 20 10 CGCDRN COc1ccc(N(Cc2ncc(C)cn2)CC2CC2)cc1 ZINC000831587467 633980446 /nfs/dbraw/zinc/98/04/46/633980446.db2.gz APKICCPUZCFMLR-UHFFFAOYSA-N 0 0 283.375 3.210 20 10 CGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cccc(F)c1O ZINC000846118380 636147314 /nfs/dbraw/zinc/14/73/14/636147314.db2.gz NMCPSECNQFPDRR-CYBMUJFWSA-N 0 0 297.370 3.083 20 10 CGCDRN COCc1ccnc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000846212341 636159296 /nfs/dbraw/zinc/15/92/96/636159296.db2.gz KXVMURKUUWHUAI-CYBMUJFWSA-N 0 0 270.332 3.033 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(N(C)C)cc1 ZINC000832435400 634059055 /nfs/dbraw/zinc/05/90/55/634059055.db2.gz AXZHBQGGFUOFRQ-GUDXXQAFSA-N 0 0 286.419 3.366 20 10 CGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@H]1c1ccncc1 ZINC000832831246 634102533 /nfs/dbraw/zinc/10/25/33/634102533.db2.gz SXFAOSPAXNYXBN-ZDUSSCGKSA-N 0 0 288.372 3.072 20 10 CGCDRN Cc1cc(C(=O)N2CC[C@H]2C2CC2)c(C)n1-c1ccccn1 ZINC000833690314 634124834 /nfs/dbraw/zinc/12/48/34/634124834.db2.gz OXOIUONTKJIFJW-INIZCTEOSA-N 0 0 295.386 3.114 20 10 CGCDRN CCOc1ccc(OCCN(C)c2ccc(N)cc2)cc1 ZINC000019727627 634218737 /nfs/dbraw/zinc/21/87/37/634218737.db2.gz TUOBUPZPQYAAHX-UHFFFAOYSA-N 0 0 286.375 3.183 20 10 CGCDRN CCCOc1ccc(CNCc2cc(C)on2)cc1C ZINC000873021899 634233321 /nfs/dbraw/zinc/23/33/21/634233321.db2.gz HAPOHQQMANNCRJ-UHFFFAOYSA-N 0 0 274.364 3.370 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(Cl)c1[O-] ZINC000834830814 634250900 /nfs/dbraw/zinc/25/09/00/634250900.db2.gz GWGLXXDCTNWARW-OLZOCXBDSA-N 0 0 291.782 3.428 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834892104 634270323 /nfs/dbraw/zinc/27/03/23/634270323.db2.gz AYOQTJYEMSCMKA-VYUIOLGVSA-N 0 0 293.317 3.224 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894295 634271818 /nfs/dbraw/zinc/27/18/18/634271818.db2.gz KBQPACIWZVGDLZ-DDTOSNHZSA-N 0 0 289.354 3.475 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000834904079 634281193 /nfs/dbraw/zinc/28/11/93/634281193.db2.gz MQMVXYJZJMAMDX-ZJUUUORDSA-N 0 0 295.333 3.299 20 10 CGCDRN Nc1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000019846297 634291837 /nfs/dbraw/zinc/29/18/37/634291837.db2.gz MZEQQURRSFJDLB-UHFFFAOYSA-N 0 0 276.336 3.139 20 10 CGCDRN CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccc(N)cc1 ZINC000873298536 634325439 /nfs/dbraw/zinc/32/54/39/634325439.db2.gz KXZNVHMMIHWKLX-QGZVFWFLSA-N 0 0 296.414 3.462 20 10 CGCDRN CN(Cc1ccccc1Cl)C(=O)c1cccc(O)c1O ZINC000126281115 634950518 /nfs/dbraw/zinc/95/05/18/634950518.db2.gz FRUXRQRKOKQWAS-UHFFFAOYSA-N 0 0 291.734 3.023 20 10 CGCDRN Cc1ccc(C)c(OCCC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877078935 634975927 /nfs/dbraw/zinc/97/59/27/634975927.db2.gz KDYXNOYIGGQBPR-UHFFFAOYSA-N 0 0 298.386 3.318 20 10 CGCDRN COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c(C)c1 ZINC000877110535 634985551 /nfs/dbraw/zinc/98/55/51/634985551.db2.gz XUWCQCLUXOIHBX-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN COCC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000877183480 635009110 /nfs/dbraw/zinc/00/91/10/635009110.db2.gz FESALMDMMQOTPF-LBPRGKRZSA-N 0 0 297.301 3.131 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ns2)cc1OC ZINC000877342248 635028489 /nfs/dbraw/zinc/02/84/89/635028489.db2.gz KRGZXGQYONDWQH-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN Cc1ccc(CNc2cn(C)nc2C(C)C)c(O)c1 ZINC000877494075 635059557 /nfs/dbraw/zinc/05/95/57/635059557.db2.gz ICZKRGHQVFFBGW-UHFFFAOYSA-N 0 0 259.353 3.170 20 10 CGCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000877504365 635065189 /nfs/dbraw/zinc/06/51/89/635065189.db2.gz DJNAZKBTHVCQFM-ZSBIGDGJSA-N 0 0 299.361 3.354 20 10 CGCDRN C[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000840864019 635068316 /nfs/dbraw/zinc/06/83/16/635068316.db2.gz AQDWAGQWVPVGGS-SECBINFHSA-N 0 0 297.280 3.052 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC000877540305 635080039 /nfs/dbraw/zinc/08/00/39/635080039.db2.gz WBLRWTJHKPJKOB-QMMMGPOBSA-N 0 0 277.261 3.148 20 10 CGCDRN [O-]c1c(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)ccc(F)c1F ZINC000877568593 635095426 /nfs/dbraw/zinc/09/54/26/635095426.db2.gz SALMFLDTXIUQSK-DOMZBBRYSA-N 0 0 279.330 3.291 20 10 CGCDRN COC1([C@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000840969822 635097445 /nfs/dbraw/zinc/09/74/45/635097445.db2.gz LLUPDHUGVRLHPM-VIFPVBQESA-N 0 0 287.762 3.232 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCCC[C@H]2F)ccc(F)c1F ZINC000877589014 635104603 /nfs/dbraw/zinc/10/46/03/635104603.db2.gz FLEYQCUCUWWBQM-MWLCHTKSSA-N 0 0 259.271 3.041 20 10 CGCDRN COc1c(C)cccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877618260 635116046 /nfs/dbraw/zinc/11/60/46/635116046.db2.gz NCPOGEKDSIKCEC-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCCO1 ZINC000877618813 635116324 /nfs/dbraw/zinc/11/63/24/635116324.db2.gz GIPQGTQHNXTEAP-CHWSQXEVSA-N 0 0 285.334 3.108 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCc3ccc(O)cc32)ccc(F)c1F ZINC000877632337 635122703 /nfs/dbraw/zinc/12/27/03/635122703.db2.gz WGVFJTIISROJKY-AWEZNQCLSA-N 0 0 291.297 3.153 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cc[nH]n1 ZINC000104193172 635125354 /nfs/dbraw/zinc/12/53/54/635125354.db2.gz OAEFBTNVVUYVQO-UHFFFAOYSA-N 0 0 286.360 3.131 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1 ZINC000841296877 635148094 /nfs/dbraw/zinc/14/80/94/635148094.db2.gz JNNMRIKLIOGFEA-UHFFFAOYSA-N 0 0 296.374 3.075 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(N)cc2)[C@H]1C ZINC000841297207 635148363 /nfs/dbraw/zinc/14/83/63/635148363.db2.gz NIWSAVATXSGJBN-FRRDWIJNSA-N 0 0 275.396 3.463 20 10 CGCDRN Nc1ccc(CCNC(=O)NCCC2=CCCCC2)cc1 ZINC000841610008 635196243 /nfs/dbraw/zinc/19/62/43/635196243.db2.gz HNEUNKQSWIWKBH-UHFFFAOYSA-N 0 0 287.407 3.001 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841751212 635225016 /nfs/dbraw/zinc/22/50/16/635225016.db2.gz FXPNHQJVHSGTEY-OUJBWJOFSA-N 0 0 269.772 3.121 20 10 CGCDRN C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(Cl)cc1[O-] ZINC000841750751 635225241 /nfs/dbraw/zinc/22/52/41/635225241.db2.gz ANSPMOMUIMCIAJ-SNVBAGLBSA-N 0 0 269.772 3.001 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841755493 635230165 /nfs/dbraw/zinc/23/01/65/635230165.db2.gz QFPYAVZWLLBHOP-LOWVWBTDSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758272 635232232 /nfs/dbraw/zinc/23/22/32/635232232.db2.gz KXTZSAMLIQZVJM-QWRGUYRKSA-N 0 0 271.788 3.105 20 10 CGCDRN CCC[C@H](C)C[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841802974 635237011 /nfs/dbraw/zinc/23/70/11/635237011.db2.gz NTNNSHHADLRURA-WFASDCNBSA-N 0 0 293.407 3.373 20 10 CGCDRN CC[C@@H]1CCCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954906 635251658 /nfs/dbraw/zinc/25/16/58/635251658.db2.gz RCWMONBGVCXVDI-MRXNPFEDSA-N 0 0 289.423 3.176 20 10 CGCDRN CN(CC1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841958031 635252479 /nfs/dbraw/zinc/25/24/79/635252479.db2.gz WCSCPZYAEOSZDZ-UHFFFAOYSA-N 0 0 289.423 3.033 20 10 CGCDRN Cc1nnc(CCOc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC000877885354 635253326 /nfs/dbraw/zinc/25/33/26/635253326.db2.gz FCBLJBJWSGKYBO-UHFFFAOYSA-N 0 0 285.347 3.108 20 10 CGCDRN Cc1cnc(CCSc2nccs2)c(C)c1 ZINC000842548524 635401911 /nfs/dbraw/zinc/40/19/11/635401911.db2.gz XZRMOPSLGBJLBV-UHFFFAOYSA-N 0 0 250.392 3.490 20 10 CGCDRN COc1ccc(N2CC[C@H](COC(=O)C(C)(C)C)C2)cc1 ZINC000842878863 635503979 /nfs/dbraw/zinc/50/39/79/635503979.db2.gz DPGQXVQHBSBCET-ZDUSSCGKSA-N 0 0 291.391 3.111 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(F)cc1[O-] ZINC000842896555 635508068 /nfs/dbraw/zinc/50/80/68/635508068.db2.gz WXNUVZYPAMUNOL-MRXNPFEDSA-N 0 0 289.350 3.265 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000842928967 635514926 /nfs/dbraw/zinc/51/49/26/635514926.db2.gz LCZFFCBVSIBIMD-NRUUGDAUSA-N 0 0 269.772 3.264 20 10 CGCDRN CCOc1ccc(CN2CCNc3ccccc32)c(O)c1 ZINC000843124480 635561147 /nfs/dbraw/zinc/56/11/47/635561147.db2.gz CRHKPYRNDBTUHY-UHFFFAOYSA-N 0 0 284.359 3.223 20 10 CGCDRN C[C@H]1CC[C@H](Cc2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158659 635587277 /nfs/dbraw/zinc/58/72/77/635587277.db2.gz FZCZPHRODPMPHL-AAEUAGOBSA-N 0 0 271.364 3.221 20 10 CGCDRN CCC(C)(C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160168 635589450 /nfs/dbraw/zinc/58/94/50/635589450.db2.gz WGVCIJIOHNOWQH-UHFFFAOYSA-N 0 0 259.353 3.221 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1ccc(N(C)C)cc1C)N2 ZINC000843268737 635629699 /nfs/dbraw/zinc/62/96/99/635629699.db2.gz MRCLJPUQYUCYLI-QGZVFWFLSA-N 0 0 295.386 3.224 20 10 CGCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(C)n1 ZINC000878908261 635655407 /nfs/dbraw/zinc/65/54/07/635655407.db2.gz MAONHFJVXWIODB-LLVKDONJSA-N 0 0 285.347 3.287 20 10 CGCDRN C[C@H]1CC2(C[N@@H+]1Cc1cccc(Cl)c1[O-])CCOCC2 ZINC000843432611 635674652 /nfs/dbraw/zinc/67/46/52/635674652.db2.gz ZPZPSXAMQHYFLY-LBPRGKRZSA-N 0 0 295.810 3.437 20 10 CGCDRN CCOc1ccc(N(CC2CC2)C[C@H]2CCC(=O)O2)cc1 ZINC000879117432 635707086 /nfs/dbraw/zinc/70/70/86/635707086.db2.gz RMVFLUPHRXXBDN-MRXNPFEDSA-N 0 0 289.375 3.007 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CO[C@H](C)C2)cc1 ZINC000843733440 635766703 /nfs/dbraw/zinc/76/67/03/635766703.db2.gz SRQFAJCRMLPSBX-ZBFHGGJFSA-N 0 0 298.386 3.001 20 10 CGCDRN CCn1nc(C)c(CN2CCc3cc(OC)ccc32)c1C ZINC000127687442 635769185 /nfs/dbraw/zinc/76/91/85/635769185.db2.gz YJWXGSAXIVIDHM-UHFFFAOYSA-N 0 0 285.391 3.091 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1CCCC[C@H]1C1CC1 ZINC000843833858 635786450 /nfs/dbraw/zinc/78/64/50/635786450.db2.gz XXOMJYHMGIVQMV-GJZGRUSLSA-N 0 0 273.376 3.225 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000074261770 635870170 /nfs/dbraw/zinc/87/01/70/635870170.db2.gz PGOYMQPBCITSRO-RYUDHWBXSA-N 0 0 294.395 3.025 20 10 CGCDRN COc1ccc(N(C)CCOc2ccccc2OC)cc1 ZINC000844353111 635877585 /nfs/dbraw/zinc/87/75/85/635877585.db2.gz GWNYIASICNSBKZ-UHFFFAOYSA-N 0 0 287.359 3.219 20 10 CGCDRN CCOc1cccc(CN(C)c2ccc(OC)cc2)n1 ZINC000844353027 635877734 /nfs/dbraw/zinc/87/77/34/635877734.db2.gz OQQAVIJGYQLRQY-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)cc1C ZINC000844654088 635950977 /nfs/dbraw/zinc/95/09/77/635950977.db2.gz DWLRKPQIQYUEBK-GFCCVEGCSA-N 0 0 271.382 3.021 20 10 CGCDRN Cc1cc(C)c(O)c(CN2CCCC(F)(F)C2)c1 ZINC000844716776 635956659 /nfs/dbraw/zinc/95/66/59/635956659.db2.gz VFCKNUHCZIFATQ-UHFFFAOYSA-N 0 0 255.308 3.240 20 10 CGCDRN CCc1cc(C)nc(NCc2cc(Cl)ccc2O)n1 ZINC000845709005 636084937 /nfs/dbraw/zinc/08/49/37/636084937.db2.gz KUNQVLOZGVGNTE-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000846016754 636130078 /nfs/dbraw/zinc/13/00/78/636130078.db2.gz JGYHUDGNCAWYNQ-RNCFNFMXSA-N 0 0 289.778 3.071 20 10 CGCDRN Cc1ccc(O)c(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846019589 636130457 /nfs/dbraw/zinc/13/04/57/636130457.db2.gz ZVWVDGSSGZVFBJ-SJCJKPOMSA-N 0 0 289.350 3.051 20 10 CGCDRN C[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000846071861 636141701 /nfs/dbraw/zinc/14/17/01/636141701.db2.gz BGMSXLHZGHPJDW-VIFPVBQESA-N 0 0 287.762 3.089 20 10 CGCDRN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000846199148 636157986 /nfs/dbraw/zinc/15/79/86/636157986.db2.gz BECMDOMQBSQOSE-CUOATXAZSA-N 0 0 285.334 3.279 20 10 CGCDRN C/C(=C/C(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846471871 636187168 /nfs/dbraw/zinc/18/71/68/636187168.db2.gz BYRADWOYPQHSGP-TWGQIWQCSA-N 0 0 265.740 3.018 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C1=CCCCC1 ZINC000846474026 636188284 /nfs/dbraw/zinc/18/82/84/636188284.db2.gz QNIABYIYFPGTNF-UHFFFAOYSA-N 0 0 265.740 3.162 20 10 CGCDRN C[C@@H]1CC/C(=C/C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476694 636188986 /nfs/dbraw/zinc/18/89/86/636188986.db2.gz OPZHZNLGBRMTET-PAKSIRSJSA-N 0 0 279.767 3.408 20 10 CGCDRN CC(C)(C)CCC(=O)NCc1cc(Cl)ccc1O ZINC000846478067 636189138 /nfs/dbraw/zinc/18/91/38/636189138.db2.gz YYNYAVRZUOMFOK-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C1CCCCC1 ZINC000846481257 636189671 /nfs/dbraw/zinc/18/96/71/636189671.db2.gz ZXPVFLIJPHCWHB-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN CO[C@@H](C)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846749362 636223616 /nfs/dbraw/zinc/22/36/16/636223616.db2.gz HZVPHHKKJBXGQP-NSHDSACASA-N 0 0 262.378 3.281 20 10 CGCDRN COC(=O)c1cnc(S[C@@H](C)c2ccc(F)nc2)s1 ZINC000882173157 636277450 /nfs/dbraw/zinc/27/74/50/636277450.db2.gz BGTGHQMVHZFNBH-ZETCQYMHSA-N 0 0 298.364 3.317 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(CC1CC1)CC1CCC1 ZINC000846951566 636292366 /nfs/dbraw/zinc/29/23/66/636292366.db2.gz XTBYCFAOOFAYQH-UHFFFAOYSA-N 0 0 265.378 3.106 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1cc(C2CC2)ncn1 ZINC000882528326 636349662 /nfs/dbraw/zinc/34/96/62/636349662.db2.gz VCCKIBFOLISNNI-UHFFFAOYSA-N 0 0 275.739 3.325 20 10 CGCDRN C[C@H](CCc1cccn1C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883019332 636509060 /nfs/dbraw/zinc/50/90/60/636509060.db2.gz JQDGOOAWOWQNFI-LLVKDONJSA-N 0 0 294.345 3.120 20 10 CGCDRN CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883029165 636513230 /nfs/dbraw/zinc/51/32/30/636513230.db2.gz IMNPYGIYIHCZOB-BDJLRTHQSA-N 0 0 299.361 3.211 20 10 CGCDRN Cc1cnc([C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883087762 636537030 /nfs/dbraw/zinc/53/70/30/636537030.db2.gz HZHJTYGGRZOBEV-QMMMGPOBSA-N 0 0 298.358 3.329 20 10 CGCDRN CCc1cccc(CN[C@H](CC)C(=O)OC(C)(C)C)c1O ZINC000848900896 636681603 /nfs/dbraw/zinc/68/16/03/636681603.db2.gz MFBZFFQZCFCDEM-CQSZACIVSA-N 0 0 293.407 3.165 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000132001697 636774447 /nfs/dbraw/zinc/77/44/47/636774447.db2.gz JUJZHULQOGFCSZ-LLVKDONJSA-N 0 0 290.190 3.310 20 10 CGCDRN C=C/C=C\CCNC(=O)NCCCSc1nccs1 ZINC000883516895 636777387 /nfs/dbraw/zinc/77/73/87/636777387.db2.gz JWXKOWHIRQHLDX-ARJAWSKDSA-N 0 0 297.449 3.057 20 10 CGCDRN CCC[C@H](C)CCNC(=O)N(C)Cc1ccccc1O ZINC000883874543 636866122 /nfs/dbraw/zinc/86/61/22/636866122.db2.gz YDFXPHLSJSATQY-ZDUSSCGKSA-N 0 0 278.396 3.360 20 10 CGCDRN COC[C@@H](CSc1ncc(C(C)(C)C)s1)OC ZINC000849887357 636899588 /nfs/dbraw/zinc/89/95/88/636899588.db2.gz JYEPQUHVUVQDJC-VIFPVBQESA-N 0 0 275.439 3.194 20 10 CGCDRN Cn1cc(Cl)c(CSc2ncc(Cl)s2)n1 ZINC000850001707 636926313 /nfs/dbraw/zinc/92/63/13/636926313.db2.gz LFSJMYDNZULONT-UHFFFAOYSA-N 0 0 280.205 3.476 20 10 CGCDRN CC[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000134748428 637036742 /nfs/dbraw/zinc/03/67/42/637036742.db2.gz UETFEIKPRPCNNS-VIFPVBQESA-N 0 0 272.186 3.351 20 10 CGCDRN CC[C@H]([NH2+]C/C=C\CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000850508331 637095092 /nfs/dbraw/zinc/09/50/92/637095092.db2.gz LPBXVHDAEJWVJW-MVZIDQBPSA-N 0 0 290.190 3.288 20 10 CGCDRN C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(Cl)cc1[O-] ZINC000850550975 637117653 /nfs/dbraw/zinc/11/76/53/637117653.db2.gz FQJAQJRSRGYEIH-ZBOXLXRLSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000850571071 637128866 /nfs/dbraw/zinc/12/88/66/637128866.db2.gz MBSFTEYGAIQDCW-NXEZZACHSA-N 0 0 285.334 3.136 20 10 CGCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(N)cc2)cc1 ZINC000851633599 637462366 /nfs/dbraw/zinc/46/23/66/637462366.db2.gz OIJUSYFQAGTHNN-GUYCJALGSA-N 0 0 296.370 3.410 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000886231345 637466146 /nfs/dbraw/zinc/46/61/46/637466146.db2.gz BVGRMHGKNNGJCJ-YJBOKZPZSA-N 0 0 287.403 3.338 20 10 CGCDRN CCOc1ccc(N(CC)Cc2conc2C)cc1 ZINC000851828878 637516465 /nfs/dbraw/zinc/51/64/65/637516465.db2.gz DLBJAXCJZGUWRM-UHFFFAOYSA-N 0 0 260.337 3.408 20 10 CGCDRN COc1ccc(N(CCOC(F)F)C(C)C)cc1F ZINC000851836038 637517916 /nfs/dbraw/zinc/51/79/16/637517916.db2.gz MCOYZTLQOVYCKS-UHFFFAOYSA-N 0 0 277.286 3.288 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886487682 637537593 /nfs/dbraw/zinc/53/75/93/637537593.db2.gz OGHBEIJLMPZFFE-NSHDSACASA-N 0 0 275.323 3.391 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1cccnc1 ZINC000886491477 637539864 /nfs/dbraw/zinc/53/98/64/637539864.db2.gz FWWOBQWZAVWRSR-GHMZBOCLSA-N 0 0 260.312 3.338 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886603315 637600164 /nfs/dbraw/zinc/60/01/64/637600164.db2.gz LHIAPVRVBLJXKK-JTQLQIEISA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@H](N[C@H]1CCCC1(F)F)c1c(O)cccc1F ZINC000886610936 637605268 /nfs/dbraw/zinc/60/52/68/637605268.db2.gz NYDRWHNXIUXMGI-KWQFWETISA-N 0 0 259.271 3.370 20 10 CGCDRN Cc1ccncc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886620096 637612883 /nfs/dbraw/zinc/61/28/83/637612883.db2.gz BQMPRDRIAONERQ-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886636139 637621917 /nfs/dbraw/zinc/62/19/17/637621917.db2.gz GPZDJSXNBABEQF-RYUDHWBXSA-N 0 0 280.387 3.055 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1c([O-])cccc1F ZINC000886638494 637623468 /nfs/dbraw/zinc/62/34/68/637623468.db2.gz WARDXTGCRQJDCW-PELKAZGASA-N 0 0 259.271 3.227 20 10 CGCDRN Cc1cc(CO)cc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000853484407 637853119 /nfs/dbraw/zinc/85/31/19/637853119.db2.gz IOFQSWRDMBDFKT-CYBMUJFWSA-N 0 0 285.391 3.121 20 10 CGCDRN Cc1cc(C)cc(CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000854271765 638036213 /nfs/dbraw/zinc/03/62/13/638036213.db2.gz QFWBECMUDSAMHW-UHFFFAOYSA-N 0 0 296.414 3.228 20 10 CGCDRN CC(=O)OCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000006977546 638246293 /nfs/dbraw/zinc/24/62/93/638246293.db2.gz SNFOLXYGNVYTJT-UHFFFAOYSA-N 0 0 299.370 3.457 20 10 CGCDRN C[C@H](NC(=O)NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1O ZINC000924404696 638340067 /nfs/dbraw/zinc/34/00/67/638340067.db2.gz HVWLTEMDMDVQRZ-ABHRYQDASA-N 0 0 288.391 3.189 20 10 CGCDRN CN1CCCc2cc(CNC(=O)/C=C/C(C)(C)C)ccc21 ZINC000114253472 638358681 /nfs/dbraw/zinc/35/86/81/638358681.db2.gz WULFZLFYEOJEEX-MDZDMXLPSA-N 0 0 286.419 3.288 20 10 CGCDRN CCCc1ccc(C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114540938 638374691 /nfs/dbraw/zinc/37/46/91/638374691.db2.gz TUGPUAUBZYLJJR-UHFFFAOYSA-N 0 0 299.370 3.283 20 10 CGCDRN C[C@@H](NC(=O)NCC1CC(C)C1)c1ccc(N(C)C)cc1 ZINC000856849162 638398956 /nfs/dbraw/zinc/39/89/56/638398956.db2.gz NBFZKSXDJLPNIU-ROKHWSDSSA-N 0 0 289.423 3.159 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000857546421 638517001 /nfs/dbraw/zinc/51/70/01/638517001.db2.gz 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/nfs/dbraw/zinc/72/38/70/639723870.db2.gz LYWNAGPSIFDHTO-UHFFFAOYSA-N 0 0 297.354 3.295 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000158025824 639997111 /nfs/dbraw/zinc/99/71/11/639997111.db2.gz NDEXRNRRGCCPRE-UHFFFAOYSA-N 0 0 294.826 3.106 20 10 CGCDRN COc1ccc(O)c(CN2CCCOc3ccccc32)c1 ZINC000158879617 640022903 /nfs/dbraw/zinc/02/29/03/640022903.db2.gz ITLHDQADIJXIMS-UHFFFAOYSA-N 0 0 285.343 3.190 20 10 CGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000075487762 640139566 /nfs/dbraw/zinc/13/95/66/640139566.db2.gz ZPOHTMDPGALJFS-KGLIPLIRSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1ccc(O)c(CNc2ncccc2OC(F)F)c1 ZINC000189269282 640181095 /nfs/dbraw/zinc/18/10/95/640181095.db2.gz VNUOMMRINFAIEU-UHFFFAOYSA-N 0 0 280.274 3.309 20 10 CGCDRN CC1(C)CC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])O1 ZINC000190254499 640236207 /nfs/dbraw/zinc/23/62/07/640236207.db2.gz WYUOOVGKXRRIJF-LLVKDONJSA-N 0 0 269.772 3.093 20 10 CGCDRN Oc1ccc(-c2csc(-c3ccoc3)n2)cc1O ZINC000078527013 640321949 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/nfs/dbraw/zinc/66/21/13/805662113.db2.gz IGHXQUSPCKVORH-UHFFFAOYSA-N 0 0 293.725 3.044 20 10 CGCDRN Cc1csc(C(=O)NCc2c(O)cccc2O)c1Cl ZINC001156885545 805745296 /nfs/dbraw/zinc/74/52/96/805745296.db2.gz JCSAVPSQQSXEIS-UHFFFAOYSA-N 0 0 297.763 3.051 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cc(C(C)(C)C)ncn2)cc1 ZINC001156920937 805752812 /nfs/dbraw/zinc/75/28/12/805752812.db2.gz MFYSIQQHYVYZNU-UHFFFAOYSA-N 0 0 298.434 3.477 20 10 CGCDRN COc1cc(Cl)cnc1NCc1cccc(C)c1O ZINC001160765172 806300923 /nfs/dbraw/zinc/30/09/23/806300923.db2.gz VQZKTMCHGSXZOZ-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN Nc1ccc(CCn2cc(C3CCCCC3)nn2)cc1 ZINC001254081043 806339296 /nfs/dbraw/zinc/33/92/96/806339296.db2.gz IWPHFOQKMJSWBM-UHFFFAOYSA-N 0 0 270.380 3.151 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NC[C@@H]2CCNC(=O)C2)cc1 ZINC001162332541 806556898 /nfs/dbraw/zinc/55/68/98/806556898.db2.gz INAFVQXWZIFMQI-OAHLLOKOSA-N 0 0 297.402 3.032 20 10 CGCDRN Nc1ccc(CNc2cc(Cl)nc3ncccc23)cc1 ZINC001162785466 806665628 /nfs/dbraw/zinc/66/56/28/806665628.db2.gz FHTAYKNAXSINRP-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN Oc1cccc2c1CN(Cc1cc(F)ccc1F)CC2 ZINC000090557992 798952663 /nfs/dbraw/zinc/95/26/63/798952663.db2.gz YVRWYILBACZNLR-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN CCn1ccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000312648931 799228408 /nfs/dbraw/zinc/22/84/08/799228408.db2.gz USQJXHFEIRMOCF-UHFFFAOYSA-N 0 0 270.380 3.115 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000380370012 799362093 /nfs/dbraw/zinc/36/20/93/799362093.db2.gz SJBQZRVUXYUKSA-OKILXGFUSA-N 0 0 293.794 3.336 20 10 CGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CC2CCC1CC2 ZINC000381778321 799387829 /nfs/dbraw/zinc/38/78/29/799387829.db2.gz ZDEWXKVIVADIFR-HEAFNYJSSA-N 0 0 286.419 3.142 20 10 CGCDRN CC(F)(F)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000393947869 799492120 /nfs/dbraw/zinc/49/21/20/799492120.db2.gz UBEGERIHWZODOO-UHFFFAOYSA-N 0 0 294.139 3.290 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000395239761 799504293 /nfs/dbraw/zinc/50/42/93/799504293.db2.gz YHUZLWUXORTJGA-NHYWBVRUSA-N 0 0 281.371 3.123 20 10 CGCDRN Oc1cccc2c1[C@H](N[C@H]1CCCC1(F)F)CC2 ZINC000397970195 799524022 /nfs/dbraw/zinc/52/40/22/799524022.db2.gz SYFGPHYPLPHLRS-PWSUYJOCSA-N 0 0 253.292 3.157 20 10 CGCDRN CC[C@@H](N[C@H](C)c1csnn1)c1ccccc1O ZINC000398468579 799531000 /nfs/dbraw/zinc/53/10/00/799531000.db2.gz MLJATRXAHLCVBF-MWLCHTKSSA-N 0 0 263.366 3.046 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403483656 799566615 /nfs/dbraw/zinc/56/66/15/799566615.db2.gz SVINARBBTVNLQM-ZMLRMANQSA-N 0 0 251.757 3.324 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000403842044 799572572 /nfs/dbraw/zinc/57/25/72/799572572.db2.gz SXYUNYLITCSPSW-PWSUYJOCSA-N 0 0 269.772 3.045 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)cc(F)c1 ZINC000588405454 799689180 /nfs/dbraw/zinc/68/91/80/799689180.db2.gz PQTBGJAPLQTAPY-RQOWECAXSA-N 0 0 291.253 3.028 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588404380 799689448 /nfs/dbraw/zinc/68/94/48/799689448.db2.gz PCTFMEQIFNOMCR-POHAHGRESA-N 0 0 283.327 3.082 20 10 CGCDRN Cc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1Cl ZINC000588409998 799690338 /nfs/dbraw/zinc/69/03/38/799690338.db2.gz ZRIFNYBJEZRKBX-UXBLZVDNSA-N 0 0 283.805 3.479 20 10 CGCDRN CO[C@H](C)C[N@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000688094486 799744977 /nfs/dbraw/zinc/74/49/77/799744977.db2.gz KBFNLPOMNMKMED-LLVKDONJSA-N 0 0 271.788 3.291 20 10 CGCDRN CCN(CCC(F)(F)F)C(=O)Nc1ccc(N)cc1 ZINC000689144853 799760421 /nfs/dbraw/zinc/76/04/21/799760421.db2.gz SAIQCXGNPJGESA-UHFFFAOYSA-N 0 0 275.274 3.075 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000693908961 799817414 /nfs/dbraw/zinc/81/74/14/799817414.db2.gz CLBNUSQITYOUBW-AAEUAGOBSA-N 0 0 280.387 3.055 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CC23CCCC3)ccc(F)c1F ZINC000703260635 799921604 /nfs/dbraw/zinc/92/16/04/799921604.db2.gz ZVVWBYCJAJLJKH-NSHDSACASA-N 0 0 253.292 3.093 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](CCF)C2)ccc(F)c1F ZINC000703613619 799927493 /nfs/dbraw/zinc/92/74/93/799927493.db2.gz UETOQCSPBJPPGD-SNVBAGLBSA-N 0 0 273.298 3.242 20 10 CGCDRN C[C@@H](NCc1c(O)cccc1Br)C(F)(F)F ZINC000706844272 799967388 /nfs/dbraw/zinc/96/73/88/799967388.db2.gz JOBXEMMZKSXEDH-ZCFIWIBFSA-N 0 0 298.102 3.195 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCC12CC2 ZINC000706933828 799970637 /nfs/dbraw/zinc/97/06/37/799970637.db2.gz BLCSANJZTZGHNI-LBPRGKRZSA-N 0 0 251.757 3.468 20 10 CGCDRN Cc1nc(C)c(C[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000708550600 799992664 /nfs/dbraw/zinc/99/26/64/799992664.db2.gz YRZSHPVJOZZUJI-UHFFFAOYSA-N 0 0 284.331 3.034 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(C2CC2)CCC1 ZINC000717835628 800205600 /nfs/dbraw/zinc/20/56/00/800205600.db2.gz BJASEJHKIVYQFA-UHFFFAOYSA-N 0 0 251.757 3.468 20 10 CGCDRN Cc1nc(C[NH2+]Cc2ccc(F)c(F)c2[O-])sc1C ZINC000719646912 800248827 /nfs/dbraw/zinc/24/88/27/800248827.db2.gz LBTWWZMSAPDCOR-UHFFFAOYSA-N 0 0 284.331 3.034 20 10 CGCDRN C[C@@H]1C[C@H](C)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000723808244 800339052 /nfs/dbraw/zinc/33/90/52/800339052.db2.gz HKLVNIYRBHBVAY-VXGBXAGGSA-N 0 0 261.369 3.169 20 10 CGCDRN CCCN(Cc1ccc(C(=O)[O-])cc1)c1ccc(C[NH3+])cc1 ZINC000840994661 800501481 /nfs/dbraw/zinc/50/14/81/800501481.db2.gz AUDGWYNKUUXZFJ-UHFFFAOYSA-N 0 0 298.386 3.260 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc(F)cc1[O-] ZINC001117113493 802433900 /nfs/dbraw/zinc/43/39/00/802433900.db2.gz VUOCKUBHICHKDB-XHSDSOJGSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccccc1O ZINC001119275055 802641427 /nfs/dbraw/zinc/64/14/27/802641427.db2.gz HQVAXTBAQPUUNI-VCDKRKBESA-N 0 0 295.329 3.251 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC001120659643 802758670 /nfs/dbraw/zinc/75/86/70/802758670.db2.gz MVGFADQWSRWZGK-JKSUJKDBSA-N 0 0 287.407 3.037 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC001120677309 802760432 /nfs/dbraw/zinc/76/04/32/802760432.db2.gz NIBIHJZGODZQFV-UHFFFAOYSA-N 0 0 287.407 3.135 20 10 CGCDRN CC(C)Cn1ccc(-c2cccc3[nH]cnc32)cc1=O ZINC001243936147 803087679 /nfs/dbraw/zinc/08/76/79/803087679.db2.gz VMLMTLCLBLFFAY-UHFFFAOYSA-N 0 0 267.332 3.048 20 10 CGCDRN Cn1ccc2c1nccc2-c1ccc(Cl)cc1N ZINC001244203003 803241818 /nfs/dbraw/zinc/24/18/18/803241818.db2.gz ZFQLOEFRWHRBGL-UHFFFAOYSA-N 0 0 257.724 3.476 20 10 CGCDRN Cc1cc(C)c(N)c(-c2cc(=O)n(C)c3ccccc23)c1 ZINC001244615277 803464773 /nfs/dbraw/zinc/46/47/73/803464773.db2.gz WCUPDLBJENGXED-UHFFFAOYSA-N 0 0 278.355 3.405 20 10 CGCDRN CCCOc1ccc(-c2nc(C)nc3c2ccn3C)cn1 ZINC001245228395 803668760 /nfs/dbraw/zinc/66/87/60/803668760.db2.gz JMGULRBRUUVIHG-UHFFFAOYSA-N 0 0 282.347 3.128 20 10 CGCDRN CC(C)Cn1ccc(-c2cncc(OCC3CC3)c2)cc1=O ZINC001245246421 803678511 /nfs/dbraw/zinc/67/85/11/803678511.db2.gz AWXPFFMUFQNMBJ-UHFFFAOYSA-N 0 0 298.386 3.355 20 10 CGCDRN CCN(Cc1ccccc1O)Cc1cnccc1Cl ZINC001137237986 803702212 /nfs/dbraw/zinc/70/22/12/803702212.db2.gz NCOYTTCXJBVGEL-UHFFFAOYSA-N 0 0 276.767 3.463 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001137831703 803777320 /nfs/dbraw/zinc/77/73/20/803777320.db2.gz KOCURGCEIKJVRZ-GFCCVEGCSA-N 0 0 277.261 3.101 20 10 CGCDRN C[C@]1(F)CCCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137832618 803778466 /nfs/dbraw/zinc/77/84/66/803778466.db2.gz BJSSUJJNRNOVMT-AWEZNQCLSA-N 0 0 255.308 3.245 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001137840033 803781372 /nfs/dbraw/zinc/78/13/72/803781372.db2.gz PSBHNVTUKAUZMS-UHFFFAOYSA-N 0 0 279.355 3.066 20 10 CGCDRN C[C@@H]1CCN(Cc2cccc(F)c2O)CC1(F)F ZINC001138123610 803863721 /nfs/dbraw/zinc/86/37/21/803863721.db2.gz CGSFEQFRXAFCSH-SECBINFHSA-N 0 0 259.271 3.008 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC001138363586 803904997 /nfs/dbraw/zinc/90/49/97/803904997.db2.gz OQXQNANJUFDZHM-ZIAGYGMSSA-N 0 0 297.402 3.129 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@@H](F)[C@@H](F)C2)c(OC)c1 ZINC001138386506 803914179 /nfs/dbraw/zinc/91/41/79/803914179.db2.gz OYEOLHDXXLKGMR-GASCZTMLSA-N 0 0 298.377 3.033 20 10 CGCDRN Cc1cc(CN2CCc3cccc(O)c3C2)cnc1Cl ZINC001139546050 804203022 /nfs/dbraw/zinc/20/30/22/804203022.db2.gz GAACXXALRKTEJL-UHFFFAOYSA-N 0 0 288.778 3.307 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001139683337 804251665 /nfs/dbraw/zinc/25/16/65/804251665.db2.gz LRZGJSUQQQZDIL-OAHLLOKOSA-N 0 0 290.313 3.403 20 10 CGCDRN CC[C@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685974 804253669 /nfs/dbraw/zinc/25/36/69/804253669.db2.gz HZUJAKKPIXUXAA-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCOc2ccccc2C1 ZINC001140467607 804444164 /nfs/dbraw/zinc/44/41/64/804444164.db2.gz ZLEWGEXPGGYCJH-UHFFFAOYSA-N 0 0 289.762 3.440 20 10 CGCDRN C[C@H]1CCC[C@H](C)[NH+]1Cc1c([O-])cc(F)cc1F ZINC001140579864 804465887 /nfs/dbraw/zinc/46/58/87/804465887.db2.gz JLDJVYBIQJHXQP-UWVGGRQHSA-N 0 0 255.308 3.433 20 10 CGCDRN Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2c2nccs2)c1O ZINC001140749057 804504692 /nfs/dbraw/zinc/50/46/92/804504692.db2.gz POWVJHFNOLJQAM-LBPRGKRZSA-N 0 0 290.388 3.200 20 10 CGCDRN F[C@H]1C[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935185 807013525 /nfs/dbraw/zinc/01/35/25/807013525.db2.gz GLLVUQBOQJQMHL-STQMWFEESA-N 0 0 269.279 3.353 20 10 CGCDRN CSCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935758 807014114 /nfs/dbraw/zinc/01/41/14/807014114.db2.gz SEMRAXIGLOSFCQ-UHFFFAOYSA-N 0 0 285.372 3.433 20 10 CGCDRN Cc1c[nH]c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC001140863665 804537284 /nfs/dbraw/zinc/53/72/84/804537284.db2.gz AEMJZOAMCJVYEX-UHFFFAOYSA-N 0 0 271.408 3.330 20 10 CGCDRN COC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140922088 804548647 /nfs/dbraw/zinc/54/86/47/804548647.db2.gz HAPCARLDCFXQFC-OAHLLOKOSA-N 0 0 296.842 3.407 20 10 CGCDRN C[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)C[C@H](C)O1 ZINC001140921468 804549472 /nfs/dbraw/zinc/54/94/72/804549472.db2.gz DWROVQJCNQZFNO-RYUDHWBXSA-N 0 0 282.815 3.015 20 10 CGCDRN CC(C)OC1CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926834 804551153 /nfs/dbraw/zinc/55/11/53/804551153.db2.gz WSHAHSDRNWXMAF-UHFFFAOYSA-N 0 0 282.815 3.015 20 10 CGCDRN O=C1CCN(Cc2cc(F)c(F)cc2O)[C@H]2CCCC[C@H]12 ZINC001142508887 804727705 /nfs/dbraw/zinc/72/77/05/804727705.db2.gz OXHQIQBEYVOLRH-FZMZJTMJSA-N 0 0 295.329 3.004 20 10 CGCDRN C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299116 804970641 /nfs/dbraw/zinc/97/06/41/804970641.db2.gz PPGWPFHOVKQLAK-MRVPVSSYSA-N 0 0 288.160 3.278 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2CCC(=O)C2)cc1Cl ZINC001248883488 805033323 /nfs/dbraw/zinc/03/33/23/805033323.db2.gz JBMDLSHLRCBPMA-UHFFFAOYSA-N 0 0 281.783 3.118 20 10 CGCDRN Cc1nc(C)c(C(=O)NCc2c(C)cc(C)cc2O)s1 ZINC001147247561 805117880 /nfs/dbraw/zinc/11/78/80/805117880.db2.gz VLSXRTXVIMKJJJ-UHFFFAOYSA-N 0 0 290.388 3.012 20 10 CGCDRN O=C(c1ccc2cc[nH]c2c1)N1CCc2cccc(O)c2C1 ZINC001149212841 805224101 /nfs/dbraw/zinc/22/41/01/805224101.db2.gz ZLKBGGABDJVKMN-UHFFFAOYSA-N 0 0 292.338 3.072 20 10 CGCDRN C[C@@H](NC(=O)CCc1ccccc1)c1ccccc1O ZINC001151878428 805319405 /nfs/dbraw/zinc/31/94/05/805319405.db2.gz BJXQOEIKCLXWHN-CYBMUJFWSA-N 0 0 269.344 3.202 20 10 CGCDRN Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2o1 ZINC001151891876 805321975 /nfs/dbraw/zinc/32/19/75/805321975.db2.gz COVFVCRBJMIKNN-JTQLQIEISA-N 0 0 296.326 3.333 20 10 CGCDRN O=C(/C=C\C=C(Cl)Cl)N1Cc2cccc(O)c2C1 ZINC001152572390 805355301 /nfs/dbraw/zinc/35/53/01/805355301.db2.gz CECLPDGJXHDMAP-KXFIGUGUSA-N 0 0 284.142 3.110 20 10 CGCDRN CC1(C)CCCC[C@@H]1CC(=O)NCc1cc(O)ccc1O ZINC001153884716 805419206 /nfs/dbraw/zinc/41/92/06/805419206.db2.gz GNKFZKYUASXEGT-CYBMUJFWSA-N 0 0 291.391 3.321 20 10 CGCDRN CC[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001153879707 805419779 /nfs/dbraw/zinc/41/97/79/805419779.db2.gz VPSHQEITHVZFLH-CYBMUJFWSA-N 0 0 299.370 3.298 20 10 CGCDRN Cc1cc(CN2CC[C@H](F)C2)c(O)cc1Br ZINC001250120469 805427810 /nfs/dbraw/zinc/42/78/10/805427810.db2.gz FKFPAQLGEROORQ-JTQLQIEISA-N 0 0 288.160 3.007 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc(F)cc1C ZINC001154890402 805506319 /nfs/dbraw/zinc/50/63/19/805506319.db2.gz YQIQCJHIFJOMGL-UHFFFAOYSA-N 0 0 260.312 3.261 20 10 CGCDRN O=C(CCSc1ncc(Cl)s1)Nc1cccnc1 ZINC001166587427 807059679 /nfs/dbraw/zinc/05/96/79/807059679.db2.gz OVHTYDHGIMFRIA-UHFFFAOYSA-N 0 0 299.808 3.312 20 10 CGCDRN COc1cccc(N)c1N[C@H]1CCNc2ccccc21 ZINC001168646123 807465111 /nfs/dbraw/zinc/46/51/11/807465111.db2.gz SZAVINYNXCODOY-AWEZNQCLSA-N 0 0 269.348 3.246 20 10 CGCDRN CC[C@@H](C)S(=O)(=O)Nc1ccc(O)c2ccccc12 ZINC001260737933 807701334 /nfs/dbraw/zinc/70/13/34/807701334.db2.gz BVDFEZQUKXITBJ-SNVBAGLBSA-N 0 0 279.361 3.086 20 10 CGCDRN CC(C)[C@H]1C[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001261140653 807711748 /nfs/dbraw/zinc/71/17/48/807711748.db2.gz ZSRORODSCGFSOY-SFYZADRCSA-N 0 0 279.727 3.107 20 10 CGCDRN Oc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1O ZINC001169992289 807735536 /nfs/dbraw/zinc/73/55/36/807735536.db2.gz BHPVTROLJUZXKB-UHFFFAOYSA-N 0 0 284.237 3.124 20 10 CGCDRN Cc1cc(NCc2ccc(O)c(O)c2)ncc1C(F)(F)F ZINC001169994104 807735600 /nfs/dbraw/zinc/73/56/00/807735600.db2.gz ZCPJPFZBTGTVER-UHFFFAOYSA-N 0 0 298.264 3.432 20 10 CGCDRN CCc1ccc(F)c(NCc2ccc(O)c(O)c2)c1 ZINC001169996944 807736278 /nfs/dbraw/zinc/73/62/78/807736278.db2.gz NQJVQXBEQHEAIP-UHFFFAOYSA-N 0 0 261.296 3.411 20 10 CGCDRN Cc1cc(NCc2ccc(O)c(O)c2)cc2cc[nH]c21 ZINC001169997277 807736459 /nfs/dbraw/zinc/73/64/59/807736459.db2.gz YBWCHAKBPMBBHE-UHFFFAOYSA-N 0 0 268.316 3.500 20 10 CGCDRN C[C@H]1CN(Cc2ccc(N)cc2)[C@H](c2ccccc2)CO1 ZINC001262488213 807868325 /nfs/dbraw/zinc/86/83/25/807868325.db2.gz UTDHFUBQQHAGQF-KSSFIOAISA-N 0 0 282.387 3.231 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCC[C@H](C)C1 ZINC001262583348 807872622 /nfs/dbraw/zinc/87/26/22/807872622.db2.gz VIKKNOCSIQVPDD-KCQAQPDRSA-N 0 0 289.423 3.283 20 10 CGCDRN O=C(c1cccc2c1CCN2)N1CC2(CC2)c2ccccc21 ZINC001263085664 807932084 /nfs/dbraw/zinc/93/20/84/807932084.db2.gz IIALVDCJXMNGNB-UHFFFAOYSA-N 0 0 290.366 3.347 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1cnc2[nH]ccc2n1 ZINC001171405315 808047936 /nfs/dbraw/zinc/04/79/36/808047936.db2.gz UONJRGGNTYNHIV-UHFFFAOYSA-N 0 0 290.326 3.429 20 10 CGCDRN Cc1ccc2oc(C(=O)N[C@@H](C)c3ccccc3O)cc2n1 ZINC001171731135 808126759 /nfs/dbraw/zinc/12/67/59/808126759.db2.gz YQOPQAXMMDETBL-NSHDSACASA-N 0 0 296.326 3.333 20 10 CGCDRN COC[C@H](CN(C)c1ccc(OC)cc1)C(C)C ZINC001171746231 808130458 /nfs/dbraw/zinc/13/04/58/808130458.db2.gz UFQOIWKYYYQSPD-ZDUSSCGKSA-N 0 0 251.370 3.050 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(F)c(F)c(F)c1 ZINC001174961274 809216985 /nfs/dbraw/zinc/21/69/85/809216985.db2.gz QMNAFGMUXBIDCP-UHFFFAOYSA-N 0 0 252.239 3.454 20 10 CGCDRN Oc1c(Cl)cc(Cl)cc1Nc1ccncc1F ZINC001175198404 809305022 /nfs/dbraw/zinc/30/50/22/809305022.db2.gz KUAQDXAYSNCCAO-UHFFFAOYSA-N 0 0 273.094 3.399 20 10 CGCDRN CC(=O)c1ccc(Nc2cccc(O)c2O)cc1F ZINC001175233275 809318444 /nfs/dbraw/zinc/31/84/44/809318444.db2.gz VODRZMLKEKMSBG-UHFFFAOYSA-N 0 0 261.252 3.183 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NOCC1CC1 ZINC001298451337 809533274 /nfs/dbraw/zinc/53/32/74/809533274.db2.gz ZOLGLWRRULUYFD-UHFFFAOYSA-N 0 0 298.386 3.474 20 10 CGCDRN COC(=O)C1(c2ccc(N(C)c3ccc(N)cc3)cc2)CC1 ZINC001175921326 809571863 /nfs/dbraw/zinc/57/18/63/809571863.db2.gz AYVFICUQNVIMBB-UHFFFAOYSA-N 0 0 296.370 3.241 20 10 CGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1O)[C@H](C)C2 ZINC001300808267 809574874 /nfs/dbraw/zinc/57/48/74/809574874.db2.gz TVUPHYOBBYTBHT-BZNIZROVSA-N 0 0 297.354 3.070 20 10 CGCDRN CC1(C)C[C@@]1(NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001301430276 809583933 /nfs/dbraw/zinc/58/39/33/809583933.db2.gz DKLTUTZWOYGTGC-GOSISDBHSA-N 0 0 297.354 3.153 20 10 CGCDRN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001177646011 809812975 /nfs/dbraw/zinc/81/29/75/809812975.db2.gz FKSYZYQERCZUHD-MRXNPFEDSA-N 0 0 298.342 3.386 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C/C=C/Cl ZINC001179747014 809941442 /nfs/dbraw/zinc/94/14/42/809941442.db2.gz HFRCQYYOAOGILL-OWOJBTEDSA-N 0 0 250.100 3.027 20 10 CGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])C1Cc2ccccc2C1 ZINC001180175900 809980882 /nfs/dbraw/zinc/98/08/82/809980882.db2.gz YRZSUXYCFURTPQ-UHFFFAOYSA-N 0 0 289.325 3.270 20 10 CGCDRN COc1ccc(N(C)Cc2cc(F)c(F)cc2O)cc1F ZINC001180759263 810021868 /nfs/dbraw/zinc/02/18/68/810021868.db2.gz QEGXKTKSBREAHZ-UHFFFAOYSA-N 0 0 297.276 3.455 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1(CO)CCCCCCC1 ZINC001183409526 810148220 /nfs/dbraw/zinc/14/82/20/810148220.db2.gz MXDRZWWJIUBGGV-UHFFFAOYSA-N 0 0 299.361 3.235 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+]C1(C2CC2)CCC1 ZINC001183789822 810161365 /nfs/dbraw/zinc/16/13/65/810161365.db2.gz ZIJHZMJDTHQKFK-UHFFFAOYSA-N 0 0 251.757 3.468 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193237064 810865503 /nfs/dbraw/zinc/86/55/03/810865503.db2.gz VROKJVHXXDDKCU-DTWKUNHWSA-N 0 0 285.771 3.306 20 10 CGCDRN CC[C@H](C)COC(=O)NCc1ccc(N(C)C)cc1 ZINC001194823160 811146100 /nfs/dbraw/zinc/14/61/00/811146100.db2.gz IDKXKABXKSOPNF-LBPRGKRZSA-N 0 0 264.369 3.025 20 10 CGCDRN Cc1cccc(CNC(=S)Nc2ccc(F)cc2C)n1 ZINC001196085151 811316954 /nfs/dbraw/zinc/31/69/54/811316954.db2.gz FUJYNOQKNKNBRQ-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN Fc1cccc(NC(=S)NCc2ccc(Cl)cn2)c1 ZINC001197656135 811442175 /nfs/dbraw/zinc/44/21/75/811442175.db2.gz KRPCTBVWGXZCOI-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN Oc1ccccc1CNC(=S)NC1CCCCCC1 ZINC001199974304 811622327 /nfs/dbraw/zinc/62/23/27/811622327.db2.gz XHWFMPHQJUSGPS-UHFFFAOYSA-N 0 0 278.421 3.079 20 10 CGCDRN COC(=O)c1c(F)ccc(Nc2ccc(N)cc2)c1F ZINC001215192879 815493713 /nfs/dbraw/zinc/49/37/13/815493713.db2.gz QBRSTPPPCDQYOK-UHFFFAOYSA-N 0 0 278.258 3.077 20 10 CGCDRN Cc1ccc(-c2noc(-c3cccc(O)c3O)n2)c(C)c1 ZINC001215143571 815488870 /nfs/dbraw/zinc/48/88/70/815488870.db2.gz CFBVNTVXGPXUAA-UHFFFAOYSA-N 0 0 282.299 3.432 20 10 CGCDRN Oc1cccc(-c2nc(-c3cc(F)ccc3F)no2)c1O ZINC001215143761 815488905 /nfs/dbraw/zinc/48/89/05/815488905.db2.gz QKAJYJTXVYAISH-UHFFFAOYSA-N 0 0 290.225 3.093 20 10 CGCDRN COc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001202283768 812056261 /nfs/dbraw/zinc/05/62/61/812056261.db2.gz PSTUXUFEQVHACX-LLVKDONJSA-N 0 0 286.331 3.284 20 10 CGCDRN COCOc1ccc(Nc2cccc(O)c2O)cc1Cl ZINC001215259573 815500758 /nfs/dbraw/zinc/50/07/58/815500758.db2.gz VWZNSBDQJLDSBM-UHFFFAOYSA-N 0 0 295.722 3.478 20 10 CGCDRN Cc1ccc([C@@]2(C)C[N@H+](Cc3ccccc3O)CCO2)cc1 ZINC001203556971 812391672 /nfs/dbraw/zinc/39/16/72/812391672.db2.gz XRVKFTPLNQAPIW-LJQANCHMSA-N 0 0 297.398 3.448 20 10 CGCDRN CSc1ccc(N(CCO)c2ccc(N)cc2)c(C)c1 ZINC001215477074 815523241 /nfs/dbraw/zinc/52/32/41/815523241.db2.gz FQWJVTWPBFEKMA-UHFFFAOYSA-N 0 0 288.416 3.430 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCc2occc2C1 ZINC001203664544 812421784 /nfs/dbraw/zinc/42/17/84/812421784.db2.gz JXQPDIIERVEYSF-UHFFFAOYSA-N 0 0 263.724 3.197 20 10 CGCDRN Oc1ccc(Cl)cc1CN1Cc2ncsc2C1 ZINC001203664481 812423094 /nfs/dbraw/zinc/42/30/94/812423094.db2.gz GSCVYFVPNVXLEZ-UHFFFAOYSA-N 0 0 266.753 3.018 20 10 CGCDRN CCN(Cc1ccc(O)c(O)c1)Cc1ccccc1F ZINC001203880714 812477985 /nfs/dbraw/zinc/47/79/85/812477985.db2.gz WWYHAGYRZLHLRI-UHFFFAOYSA-N 0 0 275.323 3.259 20 10 CGCDRN Oc1ccc(CN2Cc3ccccc3C(F)(F)C2)c(O)c1 ZINC001204272058 812592208 /nfs/dbraw/zinc/59/22/08/812592208.db2.gz IZVFBDDXQLLDLE-UHFFFAOYSA-N 0 0 291.297 3.205 20 10 CGCDRN CN(Cc1ccc(O)cc1O)[C@@H](C1CCC1)C(F)(F)F ZINC001204280612 812595075 /nfs/dbraw/zinc/59/50/75/812595075.db2.gz LLYUWOCTYIFDFN-ZDUSSCGKSA-N 0 0 289.297 3.261 20 10 CGCDRN Cn1ccc(-c2ccc(OCc3ccccc3)nc2)cc1=O ZINC001204744775 812724092 /nfs/dbraw/zinc/72/40/92/812724092.db2.gz GJIUCLSZVALTDV-UHFFFAOYSA-N 0 0 292.338 3.026 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C/C=C\c1ccccc1 ZINC001204983571 812811075 /nfs/dbraw/zinc/81/10/75/812811075.db2.gz BKKPKYLSCAPWBS-DAXSKMNVSA-N 0 0 275.298 3.473 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2cnc(N(C)C)nc2)cn1 ZINC001205005600 812821542 /nfs/dbraw/zinc/82/15/42/812821542.db2.gz ZJGMBTOVMNMQLI-UHFFFAOYSA-N 0 0 293.374 3.012 20 10 CGCDRN Oc1cccc(Nc2ccc3c(c2)OC(F)(F)O3)c1O ZINC001205085825 812853883 /nfs/dbraw/zinc/85/38/83/812853883.db2.gz ILAPYGDSERCNFN-UHFFFAOYSA-N 0 0 281.214 3.163 20 10 CGCDRN CCOc1cccc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC001205353983 812968552 /nfs/dbraw/zinc/96/85/52/812968552.db2.gz RKTNKVBRPDQRRF-UHFFFAOYSA-N 0 0 285.343 3.450 20 10 CGCDRN COCOc1cc(C)ccc1Nc1cccc(O)c1O ZINC001205468588 812988341 /nfs/dbraw/zinc/98/83/41/812988341.db2.gz LEOFRRVSZYCNFM-UHFFFAOYSA-N 0 0 275.304 3.133 20 10 CGCDRN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2[O-])C1 ZINC001206400227 813314257 /nfs/dbraw/zinc/31/42/57/813314257.db2.gz HQQCPMYNIJZPJF-PHIMTYICSA-N 0 0 285.334 3.106 20 10 CGCDRN CN(C)c1cc(F)cc(NCc2cc(F)c(F)cc2O)c1 ZINC001206484413 813332318 /nfs/dbraw/zinc/33/23/18/813332318.db2.gz JNWQMVRVTRMOLL-UHFFFAOYSA-N 0 0 296.292 3.488 20 10 CGCDRN CCc1ccncc1NCc1cc(F)c(F)cc1O ZINC001206553165 813351018 /nfs/dbraw/zinc/35/10/18/813351018.db2.gz RXYYZGHVSFORJE-UHFFFAOYSA-N 0 0 264.275 3.240 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCCC12CC2 ZINC001207066877 813478982 /nfs/dbraw/zinc/47/89/82/813478982.db2.gz LKHIBJYXYDBLMO-ZDUSSCGKSA-N 0 0 251.757 3.468 20 10 CGCDRN Cn1ccc2c1ncnc2-c1cnc2sccc2c1 ZINC001242678284 823097709 /nfs/dbraw/zinc/09/77/09/823097709.db2.gz QUWKIUJGKQZTBI-UHFFFAOYSA-N 0 0 266.329 3.245 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(CN(C2CC2)C2COC2)cc1 ZINC001209519712 814072754 /nfs/dbraw/zinc/07/27/54/814072754.db2.gz GKXMNNPBMGVORP-UHFFFAOYSA-N 0 0 296.414 3.457 20 10 CGCDRN COC(=O)c1cc(Nc2ccc3c(c2)OCCN3)ccc1C ZINC001209766784 814135011 /nfs/dbraw/zinc/13/50/11/814135011.db2.gz WHBPLUWIZDFCQW-UHFFFAOYSA-N 0 0 298.342 3.330 20 10 CGCDRN O=c1[nH]oc2ccc(Nc3ccc4c(c3)OCCN4)cc12 ZINC001209788161 814139460 /nfs/dbraw/zinc/13/94/60/814139460.db2.gz GASVGKDOBVCNGE-UHFFFAOYSA-N 0 0 283.287 3.081 20 10 CGCDRN Nc1cncc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001210441447 814457953 /nfs/dbraw/zinc/45/79/53/814457953.db2.gz FLVWLNYNPJOLLP-UHFFFAOYSA-N 0 0 290.326 3.033 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)c2ccncn2)cc1 ZINC001211027775 814711310 /nfs/dbraw/zinc/71/13/10/814711310.db2.gz CEHSZDYAHVVJNB-UHFFFAOYSA-N 0 0 276.343 3.397 20 10 CGCDRN CCc1cc(N(C)c2ccc(N)cc2)ccc1CO ZINC001216110501 815700679 /nfs/dbraw/zinc/70/06/79/815700679.db2.gz WVYDBIFQVSCTJN-UHFFFAOYSA-N 0 0 256.349 3.091 20 10 CGCDRN Nc1c(Cl)cccc1Nc1cccc(O)c1O ZINC001216527903 815852261 /nfs/dbraw/zinc/85/22/61/815852261.db2.gz GQTWYEBVFJYRNA-UHFFFAOYSA-N 0 0 250.685 3.077 20 10 CGCDRN COc1ccc(OC(C)C)c(COc2cccnc2N)c1 ZINC001218297316 816157842 /nfs/dbraw/zinc/15/78/42/816157842.db2.gz WSDAJGBDDCYLCF-UHFFFAOYSA-N 0 0 288.347 3.039 20 10 CGCDRN CSc1cncc(-c2cc(=O)n(C)c3ccccc23)c1 ZINC001242951547 823186215 /nfs/dbraw/zinc/18/62/15/823186215.db2.gz JSZCQVFXAALOJX-UHFFFAOYSA-N 0 0 282.368 3.322 20 10 CGCDRN Cc1cn2c(n1)[C@@H](Oc1ccc(N(C)C)cc1)CCC2 ZINC001227939384 817759102 /nfs/dbraw/zinc/75/91/02/817759102.db2.gz UXKXHDXADNIGAD-HNNXBMFYSA-N 0 0 271.364 3.171 20 10 CGCDRN C[N@H+](CCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231451740 818102701 /nfs/dbraw/zinc/10/27/01/818102701.db2.gz SSTZIBFIUFQJSG-UHFFFAOYSA-N 0 0 299.370 3.155 20 10 CGCDRN CCCCOC1CN(Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870556 818193216 /nfs/dbraw/zinc/19/32/16/818193216.db2.gz IHVQFYXJMDDMGK-UHFFFAOYSA-N 0 0 283.799 3.355 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@]1(C)O ZINC001231909899 818209120 /nfs/dbraw/zinc/20/91/20/818209120.db2.gz SVMQCKITFJOTBM-NHYWBVRUSA-N 0 0 283.799 3.029 20 10 CGCDRN COc1cc(O)c(C[NH+]2CCCCC2)cc1Cl ZINC001232263681 818298334 /nfs/dbraw/zinc/29/83/34/818298334.db2.gz DAOUZYITMFLNPD-UHFFFAOYSA-N 0 0 255.745 3.040 20 10 CGCDRN CCc1csc(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC001232474000 818362555 /nfs/dbraw/zinc/36/25/55/818362555.db2.gz LZYNLNNFNIEUSI-UHFFFAOYSA-N 0 0 289.448 3.404 20 10 CGCDRN CN(Cc1cccc(Cl)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233014282 818503598 /nfs/dbraw/zinc/50/35/98/818503598.db2.gz ZGJCAJVKERNHNY-UHFFFAOYSA-N 0 0 293.750 3.089 20 10 CGCDRN C[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])CC1(F)F ZINC001233074872 818517240 /nfs/dbraw/zinc/51/72/40/818517240.db2.gz ZDDCCEFRVVPOEF-QMMMGPOBSA-N 0 0 277.261 3.148 20 10 CGCDRN [O-]c1c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)ccc(F)c1F ZINC001233075716 818517838 /nfs/dbraw/zinc/51/78/38/818517838.db2.gz ALAQLTGIFSOHMB-AOOOYVTPSA-N 0 0 289.272 3.148 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCc2ccccc2CC1 ZINC001233334664 818585743 /nfs/dbraw/zinc/58/57/43/818585743.db2.gz PDLGGPOXZXQHEH-UHFFFAOYSA-N 0 0 289.325 3.271 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(C(F)F)CC1 ZINC001233335381 818586827 /nfs/dbraw/zinc/58/68/27/818586827.db2.gz SMOYGUUYEOARDU-UHFFFAOYSA-N 0 0 277.261 3.148 20 10 CGCDRN Oc1c(CN2CC(C(F)F)C2)cccc1C(F)(F)F ZINC001233420039 818614421 /nfs/dbraw/zinc/61/44/21/818614421.db2.gz WYGDPEPUWYIJON-UHFFFAOYSA-N 0 0 281.224 3.108 20 10 CGCDRN CC1(C)COCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233418738 818615793 /nfs/dbraw/zinc/61/57/93/818615793.db2.gz TXLVTQCCGWLZRF-UHFFFAOYSA-N 0 0 289.297 3.022 20 10 CGCDRN CCN1CCc2cc(O[C@@H](C)C3CCOCC3)ccc21 ZINC001233607452 818657298 /nfs/dbraw/zinc/65/72/98/818657298.db2.gz KWQAYFOWWYPMGC-ZDUSSCGKSA-N 0 0 275.392 3.263 20 10 CGCDRN CN(Cc1ccon1)Cc1ccc(C(C)(C)C)cc1O ZINC001235677571 819138268 /nfs/dbraw/zinc/13/82/68/819138268.db2.gz FJBMZXUTBVWFDQ-UHFFFAOYSA-N 0 0 274.364 3.310 20 10 CGCDRN COc1cc(O)c(CN2CCCC[C@@H](F)C2)c(Cl)c1 ZINC001236797490 819598004 /nfs/dbraw/zinc/59/80/04/819598004.db2.gz FOUBDQOFSCCJTN-SNVBAGLBSA-N 0 0 287.762 3.378 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CF)C2)c(Cl)c1 ZINC001236797495 819598453 /nfs/dbraw/zinc/59/84/53/819598453.db2.gz FPUSCPKVDIZTIS-AWEZNQCLSA-N 0 0 287.762 3.236 20 10 CGCDRN CC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236808459 819601236 /nfs/dbraw/zinc/60/12/36/819601236.db2.gz AXIWMOYCOLZEDH-NSHDSACASA-N 0 0 269.772 3.429 20 10 CGCDRN COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c([O-])c1Cl ZINC001236808533 819601523 /nfs/dbraw/zinc/60/15/23/819601523.db2.gz CVCLWRRGLKCVBK-LBPRGKRZSA-N 0 0 299.798 3.055 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2O)[C@@H](C)CO1 ZINC001236802726 819602284 /nfs/dbraw/zinc/60/22/84/819602284.db2.gz JMOPURASFOMQGU-DTWKUNHWSA-N 0 0 290.190 3.308 20 10 CGCDRN CCN(Cc1c(O)cc(OC)cc1Cl)CC(F)(F)F ZINC001236802597 819602293 /nfs/dbraw/zinc/60/22/93/819602293.db2.gz IYYZQIWXZSNNER-UHFFFAOYSA-N 0 0 297.704 3.438 20 10 CGCDRN CO[C@H](C)C1C[NH+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236805215 819602603 /nfs/dbraw/zinc/60/26/03/819602603.db2.gz XMNIWXDXBPRTDB-MRVPVSSYSA-N 0 0 290.190 3.166 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236828066 819609242 /nfs/dbraw/zinc/60/92/42/819609242.db2.gz ZKYFRUUNNZGVBI-CYBMUJFWSA-N 0 0 283.371 3.346 20 10 CGCDRN Cc1nc2c(o1)CCN(Cc1cc3ccccc3cc1O)C2 ZINC001236835112 819615487 /nfs/dbraw/zinc/61/54/87/819615487.db2.gz INBHBXYXLBPDTN-UHFFFAOYSA-N 0 0 294.354 3.400 20 10 CGCDRN Oc1ccc(C(F)(F)F)cc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237135545 819675069 /nfs/dbraw/zinc/67/50/69/819675069.db2.gz JOPZPQKKSBRINA-KPXOXKRLSA-N 0 0 289.272 3.201 20 10 CGCDRN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])CC1CCOCC1 ZINC001237808092 819847628 /nfs/dbraw/zinc/84/76/28/819847628.db2.gz QHKZNMFIEJNZDW-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN CC[N@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCOCC1 ZINC001237935302 819887770 /nfs/dbraw/zinc/88/77/70/819887770.db2.gz CFCZCNYMRQGARS-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237942919 819889652 /nfs/dbraw/zinc/88/96/52/819889652.db2.gz FVLIECHURLGMHJ-BONVTDFDSA-N 0 0 299.773 3.186 20 10 CGCDRN CCC[N@H+](CCOC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946874 819891745 /nfs/dbraw/zinc/89/17/45/819891745.db2.gz NIUWRGJARRTMJK-UHFFFAOYSA-N 0 0 275.751 3.043 20 10 CGCDRN Oc1cccc2c1CN(Cc1cnc(F)cc1Cl)CC2 ZINC001238028321 819917625 /nfs/dbraw/zinc/91/76/25/819917625.db2.gz TUDPSNCDKHXBOI-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN CCCCN(CC(=O)OCC)Cc1cc(F)cc(C)c1O ZINC001238067274 819922121 /nfs/dbraw/zinc/92/21/21/819922121.db2.gz MUYQVCDNKIIOHL-UHFFFAOYSA-N 0 0 297.370 3.005 20 10 CGCDRN Cc1cc(F)cc(C[N@H+](C)CC2CC(F)(F)C2)c1O ZINC001238071125 819925376 /nfs/dbraw/zinc/92/53/76/819925376.db2.gz SFFSMHCDFITZST-UHFFFAOYSA-N 0 0 273.298 3.317 20 10 CGCDRN CSc1ncc(Cl)cc1-c1ncnc2c1ccn2C ZINC001243614799 823468317 /nfs/dbraw/zinc/46/83/17/823468317.db2.gz YLJXGPHYKCETJD-UHFFFAOYSA-N 0 0 290.779 3.406 20 10 CGCDRN CCc1nc(OC)ccc1-c1cc(=O)n(C)c2ccccc12 ZINC001239783996 820603221 /nfs/dbraw/zinc/60/32/21/820603221.db2.gz FYBDIBMOEWXJRX-UHFFFAOYSA-N 0 0 294.354 3.172 20 10 CGCDRN CCn1ccc(-c2cnc3ccccc3c2)cc1=O ZINC001239796027 820610850 /nfs/dbraw/zinc/61/08/50/820610850.db2.gz JCAAXFCOVXBLPF-UHFFFAOYSA-N 0 0 250.301 3.083 20 10 CGCDRN COC(=O)c1cc2ccc(-c3ccc(C)nc3)cc2n1C ZINC001240223822 820902204 /nfs/dbraw/zinc/90/22/04/820902204.db2.gz LEEOETZIZKYPCX-UHFFFAOYSA-N 0 0 280.327 3.335 20 10 CGCDRN Cc1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001240227438 820904225 /nfs/dbraw/zinc/90/42/25/820904225.db2.gz SLXQUWZNAYDNNH-UHFFFAOYSA-N 0 0 294.329 3.406 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2cn(C)nc2C)cn1 ZINC001240300744 820944523 /nfs/dbraw/zinc/94/45/23/820944523.db2.gz UXIRVWKIXRFFEA-UHFFFAOYSA-N 0 0 266.348 3.198 20 10 CGCDRN Cc1cc2cc(-c3nc(C)nc4c3ccn4C)cnc2[nH]1 ZINC001240474668 821079234 /nfs/dbraw/zinc/07/92/34/821079234.db2.gz AHKLLGVQYPCYQS-UHFFFAOYSA-N 0 0 277.331 3.128 20 10 CGCDRN Cn1ccc2ccc(-c3cnc4cccnc4n3)cc21 ZINC001240570157 821156075 /nfs/dbraw/zinc/15/60/75/821156075.db2.gz CDGMAFRANMNNQD-UHFFFAOYSA-N 0 0 260.300 3.184 20 10 CGCDRN Cn1ccc2ccc(-c3ccccc3NC(N)=O)cc21 ZINC001240574538 821160011 /nfs/dbraw/zinc/16/00/11/821160011.db2.gz PXRDMAQCBLHHSS-UHFFFAOYSA-N 0 0 265.316 3.336 20 10 CGCDRN Cc1ncccc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001240730763 821283486 /nfs/dbraw/zinc/28/34/86/821283486.db2.gz VOHSZUFINIUHJB-UHFFFAOYSA-N 0 0 276.339 3.267 20 10 CGCDRN CC(C)Cn1cc(-c2nccc3c2ccn3C)cn1 ZINC001240872195 821381529 /nfs/dbraw/zinc/38/15/29/821381529.db2.gz NHROLWBXWVPMLP-UHFFFAOYSA-N 0 0 254.337 3.093 20 10 CGCDRN CC(C)Cn1cc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001240893763 821396637 /nfs/dbraw/zinc/39/66/37/821396637.db2.gz CVBJDVQNLDWEGT-UHFFFAOYSA-N 0 0 281.359 3.058 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2ccnc(N)c2)cn1 ZINC001241161982 821609137 /nfs/dbraw/zinc/60/91/37/821609137.db2.gz DIGPKPYYGNLUQR-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cnn(-c2ccccc2)c1 ZINC001241754109 822126331 /nfs/dbraw/zinc/12/63/31/822126331.db2.gz RSGAGWKLYTUIEB-UHFFFAOYSA-N 0 0 274.327 3.426 20 10 CGCDRN CC(C)Oc1cnc(-c2cccc3c2ccn3C)cn1 ZINC001241820140 822162140 /nfs/dbraw/zinc/16/21/40/822162140.db2.gz OQVSPBBTNHKRCW-UHFFFAOYSA-N 0 0 267.332 3.423 20 10 CGCDRN Cc1cnc2ncc(-c3cccc4c3ccn4C)cc2n1 ZINC001241821819 822162624 /nfs/dbraw/zinc/16/26/24/822162624.db2.gz KHWAOCJWUXLBEO-UHFFFAOYSA-N 0 0 274.327 3.492 20 10 CGCDRN CCN(c1ccccc1)c1cc(-c2ccnnc2)ncn1 ZINC001242046344 822304721 /nfs/dbraw/zinc/30/47/21/822304721.db2.gz DRHBWPBPZJCJNY-UHFFFAOYSA-N 0 0 277.331 3.092 20 10 CGCDRN COCCCn1cc(-c2cccc3c2ccn3C)cn1 ZINC001242488897 823009804 /nfs/dbraw/zinc/00/98/04/823009804.db2.gz UAZKXXOJEUJVEE-UHFFFAOYSA-N 0 0 269.348 3.078 20 10 CGCDRN CC[C@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001335452909 936145997 /nfs/dbraw/zinc/14/59/97/936145997.db2.gz QYEPFZXXOQAXDV-WFASDCNBSA-N 0 0 275.396 3.037 20 10 CGCDRN C[C@H](NC(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC001342914765 936483856 /nfs/dbraw/zinc/48/38/56/936483856.db2.gz HZUGVYAZAAIENJ-AWEZNQCLSA-N 0 0 282.387 3.173 20 10 CGCDRN O=C(CCC(F)(F)F)Nc1c2nonc2ccc1Cl ZINC001342953337 936485225 /nfs/dbraw/zinc/48/52/25/936485225.db2.gz WAVXAXUWAWBFPP-UHFFFAOYSA-N 0 0 293.632 3.157 20 10 CGCDRN COc1nn(C)cc1N[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001343497262 936504107 /nfs/dbraw/zinc/50/41/07/936504107.db2.gz XBZSPNYFQVSDQM-GHMZBOCLSA-N 0 0 287.363 3.103 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H](C3CCCC3)C2)cc1 ZINC001343659339 936508975 /nfs/dbraw/zinc/50/89/75/936508975.db2.gz PRNCHZKZSOQBJZ-MRXNPFEDSA-N 0 0 286.419 3.240 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H]2C(C)(C)C)cc1 ZINC001346086661 936837376 /nfs/dbraw/zinc/83/73/76/936837376.db2.gz QJLBQTDGTXFVOH-HNNXBMFYSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(C)(C)C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739647 936859181 /nfs/dbraw/zinc/85/91/81/936859181.db2.gz SBUFNWMSKSYMKV-CQSZACIVSA-N 0 0 289.423 3.237 20 10 CGCDRN CCCC[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCC1 ZINC001346740244 936859298 /nfs/dbraw/zinc/85/92/98/936859298.db2.gz ZLGBJUGEPXUVCJ-MRXNPFEDSA-N 0 0 289.423 3.427 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CCC[C@H](F)C1 ZINC001349003849 936941559 /nfs/dbraw/zinc/94/15/59/936941559.db2.gz HIQGJFNTKGKKIF-SFYZADRCSA-N 0 0 297.717 3.343 20 10 CGCDRN CC[C@H](CC(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001349077967 936942512 /nfs/dbraw/zinc/94/25/12/936942512.db2.gz GMGFYSGYQDEPDZ-CYBMUJFWSA-N 0 0 299.370 3.298 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC[C@@H](F)C1 ZINC001349650576 936956032 /nfs/dbraw/zinc/95/60/32/936956032.db2.gz PAIHSQRDNLCSOG-JOYOIKCWSA-N 0 0 285.746 3.190 20 10 CGCDRN CCC(CC)N(C(=O)NCc1ccc(N)cc1)C1CC1 ZINC001353540544 937068675 /nfs/dbraw/zinc/06/86/75/937068675.db2.gz VNTUABRGWRJXKE-UHFFFAOYSA-N 0 0 275.396 3.131 20 10 CGCDRN C/C=C/C=C/C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353909814 937081510 /nfs/dbraw/zinc/08/15/10/937081510.db2.gz CCVSMQRYVMDSMO-SALQQRKASA-N 0 0 284.403 3.378 20 10 CGCDRN CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001356570540 937161769 /nfs/dbraw/zinc/16/17/69/937161769.db2.gz MJUCAFYQQGSXMT-DZGCQCFKSA-N 0 0 275.396 3.037 20 10 CGCDRN Nc1ccc(CNC(=O)NCCC2=CCCCCC2)cc1 ZINC001357349568 937170662 /nfs/dbraw/zinc/17/06/62/937170662.db2.gz DYPCOFCOMAWDGX-UHFFFAOYSA-N 0 0 287.407 3.349 20 10 CGCDRN O=C(/C=C\CCc1ccccc1)NCc1ccccc1O ZINC001545681878 928092063 /nfs/dbraw/zinc/09/20/63/928092063.db2.gz HGJRMDVNNSZIIP-QPEQYQDCSA-N 0 0 281.355 3.197 20 10 CGCDRN CSc1cccc(-c2cn(-c3ccc(N)cc3)nn2)c1 ZINC001254080417 928778175 /nfs/dbraw/zinc/77/81/75/928778175.db2.gz HIDQRRKANGJTDN-UHFFFAOYSA-N 0 0 282.372 3.238 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2ccccc2F)c1 ZINC001453646942 937404256 /nfs/dbraw/zinc/40/42/56/937404256.db2.gz DKQVSPKDZWGATQ-GFCCVEGCSA-N 0 0 287.334 3.260 20 10 CGCDRN COc1ccc(N(C)Cc2c(F)cncc2F)cc1F ZINC001459715258 937497502 /nfs/dbraw/zinc/49/75/02/937497502.db2.gz JAMBMULWDPQLQH-UHFFFAOYSA-N 0 0 282.265 3.144 20 10 CGCDRN Cc1ccc(C)c(CN2CCC(F)(F)[C@@H](F)C2)c1O ZINC001140178659 931957333 /nfs/dbraw/zinc/95/73/33/931957333.db2.gz STQAKHWDPUZTHV-LBPRGKRZSA-N 0 0 273.298 3.188 20 10 CGCDRN O=C(Nc1cnc2c(F)cccc2c1)C1=CC(=O)CS1 ZINC001165758025 931995259 /nfs/dbraw/zinc/99/52/59/931995259.db2.gz BYMQUSRBHMPZBT-UHFFFAOYSA-N 0 0 288.303 3.393 20 10 CGCDRN Nc1ccc(-n2cc(C34CC5CC(CC(C5)C3)C4)nn2)cc1 ZINC001254080601 932723835 /nfs/dbraw/zinc/72/38/35/932723835.db2.gz MPWXGRCUQAYLDZ-UHFFFAOYSA-N 0 0 294.402 3.317 20 10 CGCDRN Cc1cc(O)c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c(Cl)c1 ZINC001462176365 937622730 /nfs/dbraw/zinc/62/27/30/937622730.db2.gz IWXQUOJFURXOEF-ZBEGNZNMSA-N 0 0 295.810 3.353 20 10 CGCDRN CS[C@@H](C)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090652 932842390 /nfs/dbraw/zinc/84/23/90/932842390.db2.gz MPGDTZCWWORPLX-NSHDSACASA-N 0 0 289.400 3.303 20 10 CGCDRN Cc1ccc(F)c(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001305069676 932860421 /nfs/dbraw/zinc/86/04/21/932860421.db2.gz KHENEIGARWPXCF-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCCC(C)(C)O2)cc1OC ZINC001307442460 932953198 /nfs/dbraw/zinc/95/31/98/932953198.db2.gz KQOMLHDINMDTKP-CQSZACIVSA-N 0 0 293.407 3.488 20 10 CGCDRN CC[C@@H]1C[C@H]1CN(CCOC)c1ccc(OC)c(OC)c1 ZINC001307533993 932967170 /nfs/dbraw/zinc/96/71/70/932967170.db2.gz XYHLAXXTTKMGMO-KGLIPLIRSA-N 0 0 293.407 3.203 20 10 CGCDRN CC1(C)CCC[C@@](O)(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC001462506836 937646167 /nfs/dbraw/zinc/64/61/67/937646167.db2.gz UJVJNTXOMVALSV-KRWDZBQOSA-N 0 0 295.398 3.342 20 10 CGCDRN COc1ccc(N(C)C[Si](C)(C)c2ccccc2)cc1 ZINC001307904013 933016291 /nfs/dbraw/zinc/01/62/91/933016291.db2.gz BVPKXFARQAIBCB-UHFFFAOYSA-N 0 0 285.463 3.286 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001307905969 933018921 /nfs/dbraw/zinc/01/89/21/933018921.db2.gz SUTOSEFFOFLPCJ-HOTGVXAUSA-N 0 0 261.365 3.089 20 10 CGCDRN CCCn1cc(CN2CCc3cc(OC)ccc32)c(C)n1 ZINC001308636144 933147757 /nfs/dbraw/zinc/14/77/57/933147757.db2.gz UJGQTWWXHTYXDJ-UHFFFAOYSA-N 0 0 285.391 3.173 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H]1CCCCS1 ZINC001308636388 933147939 /nfs/dbraw/zinc/14/79/39/933147939.db2.gz AGQGVDWRTBDKNK-SNVBAGLBSA-N 0 0 273.348 3.046 20 10 CGCDRN CCOC(=O)CC(C)(C)CN(C)c1ccc(OC)c(F)c1 ZINC001308678588 933156112 /nfs/dbraw/zinc/15/61/12/933156112.db2.gz ZLIXXVKAXPHLJJ-UHFFFAOYSA-N 0 0 297.370 3.250 20 10 CGCDRN COc1cccc(NCc2ccc(C)cc2O)c1F ZINC001308711217 933163038 /nfs/dbraw/zinc/16/30/38/933163038.db2.gz MTSDYZJOYDFGFR-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN Oc1cccc2c1CN(Cc1cc3ccccc3[nH]1)C2 ZINC001308909842 933202502 /nfs/dbraw/zinc/20/25/02/933202502.db2.gz IXSKLGCCXHJSSC-UHFFFAOYSA-N 0 0 264.328 3.389 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2c([O-])cccc2F)cc1 ZINC001308947934 933210555 /nfs/dbraw/zinc/21/05/55/933210555.db2.gz JFBMKNXYJMAREC-UHFFFAOYSA-N 0 0 259.324 3.172 20 10 CGCDRN CC1(C)CCC[C@@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])O1 ZINC001308969667 933216258 /nfs/dbraw/zinc/21/62/58/933216258.db2.gz VXZOOQRLWCJHGD-NSHDSACASA-N 0 0 285.334 3.108 20 10 CGCDRN CCC[C@H](C)CCNC(=O)NCc1cc(C)ccc1O ZINC001313225783 933435010 /nfs/dbraw/zinc/43/50/10/933435010.db2.gz VCINFQIFOHTINM-LBPRGKRZSA-N 0 0 278.396 3.326 20 10 CGCDRN CC(C)(C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001464086499 937686426 /nfs/dbraw/zinc/68/64/26/937686426.db2.gz PRZSALNITWHNPU-UHFFFAOYSA-N 0 0 293.388 3.479 20 10 CGCDRN C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1c([O-])cccc1F ZINC001474716332 933704759 /nfs/dbraw/zinc/70/47/59/933704759.db2.gz JXCQLFBNHAIEHQ-GWCFXTLKSA-N 0 0 251.345 3.446 20 10 CGCDRN OCCN(Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001320685639 934087378 /nfs/dbraw/zinc/08/73/78/934087378.db2.gz SBMFYLFQZIVRIU-UHFFFAOYSA-N 0 0 296.414 3.286 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2OCc3ccccc32)ccc(F)c1F ZINC001474751825 934112233 /nfs/dbraw/zinc/11/22/33/934112233.db2.gz RXMPIAKLVPWAGY-CQSZACIVSA-N 0 0 291.297 3.032 20 10 CGCDRN c1c(NCc2ccc(N3CCCC3)cc2)nn2c1CCCC2 ZINC001321903544 934222580 /nfs/dbraw/zinc/22/25/80/934222580.db2.gz IMLBLSIQTDNCSJ-UHFFFAOYSA-N 0 0 296.418 3.432 20 10 CGCDRN O=[N+]([O-])c1c(NCc2ccccc2O)ccc2cnccc21 ZINC001472675551 937780067 /nfs/dbraw/zinc/78/00/67/937780067.db2.gz XNFMJFIMJCFGDE-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN CN(C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc2c(c1)OCO2 ZINC001473284657 937800451 /nfs/dbraw/zinc/80/04/51/937800451.db2.gz NTVQDAQRXXEVRO-YHPBZONMSA-N 0 0 281.302 3.143 20 10 CGCDRN CC[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001324918401 934873337 /nfs/dbraw/zinc/87/33/37/934873337.db2.gz DWRKUVQTNOGNGG-ZDUSSCGKSA-N 0 0 289.306 3.118 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C=CCCC1 ZINC001326327561 934971244 /nfs/dbraw/zinc/97/12/44/934971244.db2.gz UZBHJWQYEAMBAI-SNVBAGLBSA-N 0 0 255.720 3.383 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@@]12C[C@@H]1CCCC2 ZINC001329635107 935236073 /nfs/dbraw/zinc/23/60/73/935236073.db2.gz DUTRWWKTBHGEIS-PKFCDNJMSA-N 0 0 265.378 3.152 20 10 CGCDRN CC1(C)CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001336837789 936222048 /nfs/dbraw/zinc/22/20/48/936222048.db2.gz ATXBJNOARWWKKN-UHFFFAOYSA-N 0 0 275.396 3.037 20 10 CGCDRN C[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC001337019802 936232495 /nfs/dbraw/zinc/23/24/95/936232495.db2.gz VOFPTNKVNWJLKA-SUMWQHHRSA-N 0 0 295.386 3.171 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC001473914545 937829926 /nfs/dbraw/zinc/82/99/26/937829926.db2.gz LMCZEBOSVUURKU-AWEZNQCLSA-N 0 0 295.741 3.008 20 10 CGCDRN C/C(=C\C(=O)N(C)c1ccc(C)cc1C)c1cnccn1 ZINC001517152825 938011373 /nfs/dbraw/zinc/01/13/73/938011373.db2.gz OGPDFXNQFMVYBJ-JLHYYAGUSA-N 0 0 281.359 3.160 20 10 CGCDRN CC[C@@H](C)n1nccc1C(=O)N[C@H](C)c1ccccc1O ZINC001521806683 938034427 /nfs/dbraw/zinc/03/44/27/938034427.db2.gz GHCKEIHQODPJIF-VXGBXAGGSA-N 0 0 287.363 3.051 20 10 CGCDRN C[C@H]1CCCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc21 ZINC001521855886 938034794 /nfs/dbraw/zinc/03/47/94/938034794.db2.gz VRAMQGRTKSURLV-CMUBDUJZSA-N 0 0 295.386 3.364 20 10 CGCDRN Nc1ccc(CC(=O)NC[C@H]2CCC=CCCC2)cc1 ZINC001523499763 938039722 /nfs/dbraw/zinc/03/97/22/938039722.db2.gz CSAGNRDNSWOHGH-HNNXBMFYSA-N 0 0 272.392 3.064 20 10 CGCDRN CCCCCC[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001539952416 938127176 /nfs/dbraw/zinc/12/71/76/938127176.db2.gz CJJOBFCCTYONQU-GFCCVEGCSA-N 0 0 279.380 3.115 20 10 CGCDRN Cc1cc(CC(=O)NC[C@@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001540818498 938134259 /nfs/dbraw/zinc/13/42/59/938134259.db2.gz VQXXIEAMUKIBPO-GUYCJALGSA-N 0 0 296.414 3.409 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccc1O ZINC001557967578 938212878 /nfs/dbraw/zinc/21/28/78/938212878.db2.gz HFKMVHPNWDPUOQ-ZUZCIYMTSA-N 0 0 285.318 3.048 20 10 CGCDRN C/C(Cl)=C/C(=O)NCc1c(O)ccc2ccccc21 ZINC001558554877 938216289 /nfs/dbraw/zinc/21/62/89/938216289.db2.gz XRMDFUHZLJQPSX-NTMALXAHSA-N 0 0 275.735 3.304 20 10 CGCDRN O=[N+]([O-])c1ncccc1CSc1ncc(Cl)s1 ZINC001559446298 938226738 /nfs/dbraw/zinc/22/67/38/938226738.db2.gz AZKMGMCKKINCKN-UHFFFAOYSA-N 0 0 287.753 3.392 20 10 CGCDRN Cc1ccc(F)cc1CN(C)c1ccc2c(c1)OCO2 ZINC001559657039 938232129 /nfs/dbraw/zinc/23/21/29/938232129.db2.gz SPTSJGOFLDSBQM-UHFFFAOYSA-N 0 0 273.307 3.499 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1C=CCCC1 ZINC001560381510 938256238 /nfs/dbraw/zinc/25/62/38/938256238.db2.gz DHXGPJWEPDDRHW-NSHDSACASA-N 0 0 255.720 3.383 20 10 CGCDRN CC[C@@H]1CO[C@H](C)CN1Cc1c(O)cc(C)cc1Cl ZINC001560726957 938272565 /nfs/dbraw/zinc/27/25/65/938272565.db2.gz LPEKQDFNNBOCLO-VXGBXAGGSA-N 0 0 283.799 3.353 20 10 CGCDRN CCCC[C@@H](NCc1cc(C(C)C)ccc1O)C(=O)OC ZINC001560738145 938273199 /nfs/dbraw/zinc/27/31/99/938273199.db2.gz MQKHEUUYOZVLMU-OAHLLOKOSA-N 0 0 293.407 3.337 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1CC2(CCC2)C1 ZINC001560912405 938283552 /nfs/dbraw/zinc/28/35/52/938283552.db2.gz GBPIPFMEPMNSDN-UHFFFAOYSA-N 0 0 253.292 3.093 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(F)c(F)cc2O)[C@@H](CC)CO1 ZINC001560919663 938284089 /nfs/dbraw/zinc/28/40/89/938284089.db2.gz KGLONKBCVYABGB-NWDGAFQWSA-N 0 0 285.334 3.060 20 10 CGCDRN C[C@H]([NH2+]CCCCC(=O)[O-])c1cc2c(cc1O)CCCC2 ZINC001603248646 972415198 /nfs/dbraw/zinc/41/51/98/972415198.db2.gz LJIHJBVSZIEBHU-LBPRGKRZSA-N 0 0 291.391 3.177 20 10 CGCDRN Cc1cc(C(=O)NOC(C)C)c(C)n1-c1cccc(C)c1 ZINC001569694576 961828363 /nfs/dbraw/zinc/82/83/63/961828363.db2.gz XBDSJCYUCGOYQW-UHFFFAOYSA-N 0 0 286.375 3.472 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccc(N)cc1)c1cccc(F)c1 ZINC001575926420 962417947 /nfs/dbraw/zinc/41/79/47/962417947.db2.gz MDYFNAHPJIEXCX-LBPRGKRZSA-N 0 0 286.350 3.218 20 10 CGCDRN CNc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001578758841 962606883 /nfs/dbraw/zinc/60/68/83/962606883.db2.gz CGIHKBRJWSFKDT-LLVKDONJSA-N 0 0 285.347 3.317 20 10 CGCDRN Nc1ccc(CCNc2nc3ccc(F)cc3o2)cc1 ZINC001580443561 962723735 /nfs/dbraw/zinc/72/37/35/962723735.db2.gz PXKGDKDMJBQWEX-UHFFFAOYSA-N 0 0 271.295 3.204 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2cccc(Cl)n2)c1 ZINC001584505933 962929197 /nfs/dbraw/zinc/92/91/97/962929197.db2.gz DEDMEGIZCIYZMA-SREVYHEPSA-N 0 0 287.750 3.115 20 10 CGCDRN CC1(C)CCC[C@@H]1CCNC(=O)C1=CC(=O)CS1 ZINC001585392347 963011876 /nfs/dbraw/zinc/01/18/76/963011876.db2.gz UJCUBVZITPKBGL-SNVBAGLBSA-N 0 0 267.394 3.400 20 10 CGCDRN C/C(=C\C(=O)N1C[C@H](C)c2ccccc21)c1cnccn1 ZINC001585535682 963024347 /nfs/dbraw/zinc/02/43/47/963024347.db2.gz XUGLJKLOAGRIDK-SRXBQZRASA-N 0 0 279.343 3.030 20 10 CGCDRN Cc1cc(CNC(=O)c2cc[nH]c2)c(C)n1-c1ccccc1 ZINC001587025375 963163705 /nfs/dbraw/zinc/16/37/05/963163705.db2.gz AFBWFRPXWYOUOO-UHFFFAOYSA-N 0 0 293.370 3.352 20 10 CGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001587120894 963169070 /nfs/dbraw/zinc/16/90/70/963169070.db2.gz FQDSXTCPTRKILN-UHFFFAOYSA-N 0 0 282.303 3.126 20 10 CGCDRN CC/C=C\CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001595513697 981307429 /nfs/dbraw/zinc/30/74/29/981307429.db2.gz FFNOMZLQOGUBLP-ARJAWSKDSA-N 0 0 297.782 3.289 20 10 CGCDRN CN(C)c1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000301123871 529782540 /nfs/dbraw/zinc/78/25/40/529782540.db2.gz NGBCPDYRCLYWFH-UHFFFAOYSA-N 0 0 294.358 3.014 20 10 CGCDRN CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276652161 282309925 /nfs/dbraw/zinc/30/99/25/282309925.db2.gz MMQRIIDUJBZXNF-SNVBAGLBSA-N 0 0 287.350 3.262 20 10 CGCDRN CCn1ccnc(Sc2ncc(C(C)(C)C)s2)c1=O ZINC000091014555 345800525 /nfs/dbraw/zinc/80/05/25/345800525.db2.gz LZDRMFDCEQJWAW-UHFFFAOYSA-N 0 0 295.433 3.168 20 10 CGCDRN CCC(C)(CC)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188910185 542250688 /nfs/dbraw/zinc/25/06/88/542250688.db2.gz SBXCMEICDVZROO-UHFFFAOYSA-N 0 0 290.407 3.304 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191183291 299303640 /nfs/dbraw/zinc/30/36/40/299303640.db2.gz VAHSJLYLIGQAQM-IINYFYTJSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(F)c(F)c1[O-] ZINC000286859625 299308673 /nfs/dbraw/zinc/30/86/73/299308673.db2.gz AZLOZXLYDIJFEW-UWVGGRQHSA-N 0 0 287.375 3.464 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC1(C)C ZINC000124640809 370925649 /nfs/dbraw/zinc/92/56/49/370925649.db2.gz SQCKWMRCMJKQQM-ZDUSSCGKSA-N 0 0 261.365 3.177 20 10 CGCDRN Cc1csc(C(C)(C)NCc2ccc3c(c2)CCO3)n1 ZINC000116381989 370559407 /nfs/dbraw/zinc/55/94/07/370559407.db2.gz BDTIVUIGYHBDLL-UHFFFAOYSA-N 0 0 288.416 3.411 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCSC2)c1 ZINC000287128009 371608565 /nfs/dbraw/zinc/60/85/65/371608565.db2.gz RMMIMONTLWMOCP-STQMWFEESA-N 0 0 265.422 3.494 20 10 CGCDRN CC[C@@H]([NH2+]CCc1nc(C)no1)c1cccc(Cl)c1[O-] ZINC000287773162 371703891 /nfs/dbraw/zinc/70/38/91/371703891.db2.gz RQLURLOZXXUNFV-GFCCVEGCSA-N 0 0 295.770 3.020 20 10 CGCDRN CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1cccc(Cl)c1[O-] ZINC000287611787 371682705 /nfs/dbraw/zinc/68/27/05/371682705.db2.gz JGGLOVDSHQHWBJ-CYBMUJFWSA-N 0 0 279.771 3.318 20 10 CGCDRN CC[C@@H](CSC)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162734616 261293248 /nfs/dbraw/zinc/29/32/48/261293248.db2.gz YKYRKSUVMXNBBO-JTQLQIEISA-N 0 0 259.802 3.277 20 10 CGCDRN Oc1ccc2ccccc2c1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000158503072 372071491 /nfs/dbraw/zinc/07/14/91/372071491.db2.gz WQCATZQSAMDVOK-YIONKMFJSA-N 0 0 283.371 3.033 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000160244929 372229665 /nfs/dbraw/zinc/22/96/65/372229665.db2.gz NKDAUMLFLSWREC-JTQLQIEISA-N 0 0 277.261 3.306 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCSC1 ZINC000293765389 372475582 /nfs/dbraw/zinc/47/55/82/372475582.db2.gz ZMBSJTMPCXJYBR-SECBINFHSA-N 0 0 275.776 3.170 20 10 CGCDRN C[C@@H](O)CC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293651962 372438045 /nfs/dbraw/zinc/43/80/45/372438045.db2.gz OVRAXISYMKBKSK-SECBINFHSA-N 0 0 289.778 3.071 20 10 CGCDRN CCn1cc(N[C@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000294620665 372662323 /nfs/dbraw/zinc/66/23/23/372662323.db2.gz FHWPVKKUEVNPCT-GFCCVEGCSA-N 0 0 259.353 3.399 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@H](C)CCCCO)c(O)c1C ZINC000296575342 373183010 /nfs/dbraw/zinc/18/30/10/373183010.db2.gz TYOYLPNINVRDKX-OCCSQVGLSA-N 0 0 265.397 3.211 20 10 CGCDRN CN(C)C(=O)c1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000296597924 373188748 /nfs/dbraw/zinc/18/87/48/373188748.db2.gz XJYZFUVJLGTZEY-HNNXBMFYSA-N 0 0 296.370 3.193 20 10 CGCDRN CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(N)cc2)CC1 ZINC000297262982 373264120 /nfs/dbraw/zinc/26/41/20/373264120.db2.gz RTTASRJLODWSCO-SHTZXODSSA-N 0 0 274.408 3.347 20 10 CGCDRN COCc1cc(CN(C)c2ccc(OC(C)C)cc2)no1 ZINC000298115207 373289165 /nfs/dbraw/zinc/28/91/65/373289165.db2.gz ORFAOCZPRSWQSS-UHFFFAOYSA-N 0 0 290.363 3.245 20 10 CGCDRN O=C(C=C1CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000176429526 373595585 /nfs/dbraw/zinc/59/55/85/373595585.db2.gz DARPTAZBESIAFH-UHFFFAOYSA-N 0 0 270.376 3.013 20 10 CGCDRN Cc1nc2ccccc2nc1N(C)Cc1ccccc1O ZINC000302677019 373924156 /nfs/dbraw/zinc/92/41/56/373924156.db2.gz UVZZLXYDMGZAEY-UHFFFAOYSA-N 0 0 279.343 3.280 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2cccc(C)c2O)CCS1 ZINC000180312437 373989143 /nfs/dbraw/zinc/98/91/43/373989143.db2.gz FSHYKDOLNTUWKS-ZDUSSCGKSA-N 0 0 251.395 3.028 20 10 CGCDRN CCCOc1ccc(CNc2nnc(C3CC3)o2)c(O)c1 ZINC000181514139 374133840 /nfs/dbraw/zinc/13/38/40/374133840.db2.gz RVPOAZIBDOXXSO-UHFFFAOYSA-N 0 0 289.335 3.054 20 10 CGCDRN C[C@H]([NH2+]CCc1ccccc1O)c1ccc(F)cc1[O-] ZINC000185302872 374632689 /nfs/dbraw/zinc/63/26/89/374632689.db2.gz FOKJFNAEPOZIRP-NSHDSACASA-N 0 0 275.323 3.130 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187723227 375081291 /nfs/dbraw/zinc/08/12/91/375081291.db2.gz BKUHVYAMNZALLA-IINYFYTJSA-N 0 0 293.313 3.055 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187740984 375085497 /nfs/dbraw/zinc/08/54/97/375085497.db2.gz MSDNSQXSCMVTTP-GHMZBOCLSA-N 0 0 287.350 3.120 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187829354 375103789 /nfs/dbraw/zinc/10/37/89/375103789.db2.gz UIAPUCWYNBJJJL-IUCAKERBSA-N 0 0 275.364 3.463 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC23CC3)c1 ZINC000528858314 375912041 /nfs/dbraw/zinc/91/20/41/375912041.db2.gz CAJOMDOPSFJYOR-SMDDNHRTSA-N 0 0 289.375 3.158 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000529670627 375933425 /nfs/dbraw/zinc/93/34/25/375933425.db2.gz WCJFCCJELXFPAA-CQSZACIVSA-N 0 0 294.826 3.152 20 10 CGCDRN O=C1N=C(NC2CCCC2)SC1=Cc1cccs1 ZINC000208250517 376130536 /nfs/dbraw/zinc/13/05/36/376130536.db2.gz OKROOCDPOYBVJL-DHZHZOJOSA-N 0 0 278.402 3.251 20 10 CGCDRN CN(C(=O)/C=C\c1cn(C)c2ccccc12)c1ccccn1 ZINC000255127345 377734993 /nfs/dbraw/zinc/73/49/93/377734993.db2.gz UREIAELVBWMVHI-KHPPLWFESA-N 0 0 291.354 3.250 20 10 CGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(F)cc1 ZINC000255206283 377741907 /nfs/dbraw/zinc/74/19/07/377741907.db2.gz BNOHLDRRCKGRHU-UQCOIBPSSA-N 0 0 274.270 3.036 20 10 CGCDRN COc1ccc([C@H](C)CC(=O)NCc2ccccc2O)cc1 ZINC000267532645 378042160 /nfs/dbraw/zinc/04/21/60/378042160.db2.gz QXRLKHLNJFUKPR-CYBMUJFWSA-N 0 0 299.370 3.211 20 10 CGCDRN CCN(CCCn1ccnc1C)c1ccc(OC)cc1 ZINC000270636805 378379679 /nfs/dbraw/zinc/37/96/79/378379679.db2.gz MMIVUPCOKCBGQM-UHFFFAOYSA-N 0 0 273.380 3.117 20 10 CGCDRN C[C@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000271786754 378504336 /nfs/dbraw/zinc/50/43/36/378504336.db2.gz FTBQRLAOFYPHRP-INIZCTEOSA-N 0 0 291.778 3.043 20 10 CGCDRN CSCCCCCCNC(=O)NCc1ccccc1O ZINC000273104572 378737207 /nfs/dbraw/zinc/73/72/07/378737207.db2.gz PDMTXXHJVYKUJD-UHFFFAOYSA-N 0 0 296.436 3.115 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000273394045 378744308 /nfs/dbraw/zinc/74/43/08/378744308.db2.gz LOBQPZHYMOICDF-TUKIKUTGSA-N 0 0 294.826 3.323 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CCCCO1 ZINC000273469409 378748974 /nfs/dbraw/zinc/74/89/74/378748974.db2.gz JJCNVGVABFCDCI-FIXISWKDSA-N 0 0 267.344 3.140 20 10 CGCDRN C[N@H+](CCn1ccnc1)Cc1ccc(N2CCCCC2)cc1 ZINC000272800863 378706898 /nfs/dbraw/zinc/70/68/98/378706898.db2.gz ZNTJMQJZHVQZFZ-UHFFFAOYSA-N 0 0 298.434 3.005 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375306392 379490883 /nfs/dbraw/zinc/49/08/83/379490883.db2.gz ZFDFPBOYVTWFGA-OAHLLOKOSA-N 0 0 281.783 3.048 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000281340176 379830020 /nfs/dbraw/zinc/83/00/20/379830020.db2.gz SPDCCUWNBBJRLY-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN CSCCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000281117653 379817403 /nfs/dbraw/zinc/81/74/03/379817403.db2.gz BVDHUUOQABTOKE-UHFFFAOYSA-N 0 0 259.802 3.231 20 10 CGCDRN CCCCN(Cc1nnc(CC)o1)Cc1ccccc1O ZINC000282488673 379930779 /nfs/dbraw/zinc/93/07/79/379930779.db2.gz PORYMYJPZMHXHO-UHFFFAOYSA-N 0 0 289.379 3.140 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc[nH]c1C ZINC000282505962 379935046 /nfs/dbraw/zinc/93/50/46/379935046.db2.gz OBKGLMXKGYZXKU-UHFFFAOYSA-N 0 0 286.375 3.471 20 10 CGCDRN COCC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000282961770 380017197 /nfs/dbraw/zinc/01/71/97/380017197.db2.gz ZSPHSOFXDLREFT-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1C ZINC000283759745 380087002 /nfs/dbraw/zinc/08/70/02/380087002.db2.gz AVRNEUMAMIXGNE-WBVHZDCISA-N 0 0 275.392 3.152 20 10 CGCDRN CC(C)c1ccc(N(C)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000284280793 380139393 /nfs/dbraw/zinc/13/93/93/380139393.db2.gz FKTPUKRVLJBHLY-RMKNXTFCSA-N 0 0 269.348 3.209 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(F)cc1[O-] ZINC000286153162 380167612 /nfs/dbraw/zinc/16/76/12/380167612.db2.gz PNFWABLJFXZUDB-ZFWWWQNUSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(F)cc1[O-] ZINC000285530898 380150683 /nfs/dbraw/zinc/15/06/83/380150683.db2.gz BPVOGZQMMLAYFR-UKRRQHHQSA-N 0 0 293.338 3.207 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC(C2CCCC2)CC1 ZINC000366168029 382304398 /nfs/dbraw/zinc/30/43/98/382304398.db2.gz DANHEDBABVCUDS-UHFFFAOYSA-N 0 0 289.375 3.140 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccnc(C(C)(C)C)n2)cc1 ZINC000301566604 392595118 /nfs/dbraw/zinc/59/51/18/392595118.db2.gz ZGVNSZCQYKLKDM-UHFFFAOYSA-N 0 0 298.434 3.477 20 10 CGCDRN COc1ccc(NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000019903316 170915425 /nfs/dbraw/zinc/91/54/25/170915425.db2.gz VWKHMKFWFRYTSO-UHFFFAOYSA-N 0 0 286.375 3.382 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1 ZINC000020141045 171027838 /nfs/dbraw/zinc/02/78/38/171027838.db2.gz AOFLZLRRPPULDP-UHFFFAOYSA-N 0 0 283.158 3.384 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3c(c2)OCO3)c1 ZINC000071406292 176155933 /nfs/dbraw/zinc/15/59/33/176155933.db2.gz IKHLTFTUZBIBSX-UHFFFAOYSA-N 0 0 257.289 3.041 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cc(Cl)nc(C)n1 ZINC000301308324 227507893 /nfs/dbraw/zinc/50/78/93/227507893.db2.gz WNTZYAZKKWSHBJ-UHFFFAOYSA-N 0 0 290.798 3.425 20 10 CGCDRN Cc1cncc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302332061 227838892 /nfs/dbraw/zinc/83/88/92/227838892.db2.gz AALMTPHIZMARBH-GFCCVEGCSA-N 0 0 256.353 3.024 20 10 CGCDRN CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000079300174 260175644 /nfs/dbraw/zinc/17/56/44/260175644.db2.gz BUAVSKUSBIHOTR-OAHLLOKOSA-N 0 0 288.435 3.486 20 10 CGCDRN CC(C)c1cnc(NC(=O)Cc2ccc(N)cc2)s1 ZINC000160892754 261229923 /nfs/dbraw/zinc/22/99/23/261229923.db2.gz ZUQBLEUWZJMGKJ-UHFFFAOYSA-N 0 0 275.377 3.030 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168862504 261423155 /nfs/dbraw/zinc/42/31/55/261423155.db2.gz BYDBDKGRPORQTP-ONGXEEELSA-N 0 0 257.374 3.324 20 10 CGCDRN CC(C)c1noc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000172380482 261499075 /nfs/dbraw/zinc/49/90/75/261499075.db2.gz DWULDZFUIRSAMZ-UHFFFAOYSA-N 0 0 286.379 3.405 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1oc(C)nc1C ZINC000175213555 261598717 /nfs/dbraw/zinc/59/87/17/261598717.db2.gz WASMGDLJTDPIHK-UHFFFAOYSA-N 0 0 288.347 3.049 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(C)C ZINC000184320542 262016879 /nfs/dbraw/zinc/01/68/79/262016879.db2.gz YXQKEJRFBOWQBJ-LSDHHAIUSA-N 0 0 275.392 3.423 20 10 CGCDRN CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185678494 262065933 /nfs/dbraw/zinc/06/59/33/262065933.db2.gz ZPVPZTWXAKJAJU-SNVBAGLBSA-N 0 0 292.354 3.495 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1nnc(C(F)F)o1 ZINC000287854971 263102990 /nfs/dbraw/zinc/10/29/90/263102990.db2.gz XLWLHMNFSXLLJD-UHFFFAOYSA-N 0 0 292.289 3.419 20 10 CGCDRN CCN(Cc1scnc1C)c1ccc(OC)c(OC)c1 ZINC000289356577 263109546 /nfs/dbraw/zinc/10/95/46/263109546.db2.gz MCDHKXZHRQYKPE-UHFFFAOYSA-N 0 0 292.404 3.495 20 10 CGCDRN CCCc1nc(C)c(C(=O)NCc2ccccc2O)s1 ZINC000299553727 263246988 /nfs/dbraw/zinc/24/69/88/263246988.db2.gz LXPVQZJDZUMYCC-UHFFFAOYSA-N 0 0 290.388 3.040 20 10 CGCDRN CC1(C)CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000288993653 276111943 /nfs/dbraw/zinc/11/19/43/276111943.db2.gz SIDKVZIDPJKDJO-BQYQJAHWSA-N 0 0 293.370 3.204 20 10 CGCDRN CN1CCCN(C(=O)/C=C\c2cncs2)c2ccccc21 ZINC000493045285 277047322 /nfs/dbraw/zinc/04/73/22/277047322.db2.gz AATYFUGSWBUYNV-FPLPWBNLSA-N 0 0 299.399 3.029 20 10 CGCDRN COc1ccc(N2CCCN(c3cccc(C)n3)CC2)cc1 ZINC000157181876 277908926 /nfs/dbraw/zinc/90/89/26/277908926.db2.gz VESKNOCIBJAMJS-UHFFFAOYSA-N 0 0 297.402 3.115 20 10 CGCDRN CC[C@H]([NH2+]C1CCN(CC)CC1)c1ccc(F)cc1[O-] ZINC000285613734 288035143 /nfs/dbraw/zinc/03/51/43/288035143.db2.gz KHWCSGCDZHATBV-HNNXBMFYSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287895106 288043555 /nfs/dbraw/zinc/04/35/55/288043555.db2.gz ZGGNRVZXCSSIPL-SKDRFNHKSA-N 0 0 257.761 3.121 20 10 CGCDRN CO[C@@]1(C)CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000280264835 294131633 /nfs/dbraw/zinc/13/16/33/294131633.db2.gz MCSJFKNYCCKUMB-HNNXBMFYSA-N 0 0 283.799 3.437 20 10 CGCDRN CC(C)C[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000184657047 327831922 /nfs/dbraw/zinc/83/19/22/327831922.db2.gz FQYNMBAEKVUYPG-AWEZNQCLSA-N 0 0 276.424 3.393 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)c(F)c1[O-] ZINC000276939626 328220506 /nfs/dbraw/zinc/22/05/06/328220506.db2.gz PIABTGDJLORSAN-DTWKUNHWSA-N 0 0 273.348 3.217 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000168815149 329059615 /nfs/dbraw/zinc/05/96/15/329059615.db2.gz VMELXQSZPSXNJP-ONGXEEELSA-N 0 0 255.358 3.078 20 10 CGCDRN Cc1cc(O)c(CNc2cccnc2-n2cccn2)cc1C ZINC000185880197 329334346 /nfs/dbraw/zinc/33/43/46/329334346.db2.gz KEPMQAMDZRPVHJ-UHFFFAOYSA-N 0 0 294.358 3.202 20 10 CGCDRN Cc1nnc(N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000228869134 329348811 /nfs/dbraw/zinc/34/88/11/329348811.db2.gz LJHQGNGSAOLFEE-SECBINFHSA-N 0 0 262.382 3.086 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]1C(C)C ZINC000472228596 331532268 /nfs/dbraw/zinc/53/22/68/331532268.db2.gz FOHDCZYPHBUKJI-HNNXBMFYSA-N 0 0 299.418 3.427 20 10 CGCDRN O=C(/C=C\c1cccnc1)N(CC(F)F)c1ccccc1 ZINC000492051119 332380525 /nfs/dbraw/zinc/38/05/25/332380525.db2.gz RALAKZJXHYCJSJ-HJWRWDBZSA-N 0 0 288.297 3.393 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2S1 ZINC000492112430 332383319 /nfs/dbraw/zinc/38/33/19/332383319.db2.gz UFMXDNOUYJFDHR-ZHRWSRJISA-N 0 0 297.383 3.017 20 10 CGCDRN CCc1cnc(CNCc2ccc(N(C)C)cc2)s1 ZINC000230706722 333321300 /nfs/dbraw/zinc/32/13/00/333321300.db2.gz DZJKTEIKPQWUFU-UHFFFAOYSA-N 0 0 275.421 3.061 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000528828263 333460674 /nfs/dbraw/zinc/46/06/74/333460674.db2.gz UXRBJQGSWCWVRR-CSMYWGQOSA-N 0 0 287.403 3.423 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000529667835 333504921 /nfs/dbraw/zinc/50/49/21/333504921.db2.gz ABWKBRYYQHGIJG-PJPCKVBYSA-N 0 0 287.762 3.086 20 10 CGCDRN CCN(Cc1ccc(F)cn1)c1ccc(OC)cc1 ZINC000276278906 521315696 /nfs/dbraw/zinc/31/56/96/521315696.db2.gz TVVCZHYCDUVCEL-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000050133446 518279112 /nfs/dbraw/zinc/27/91/12/518279112.db2.gz UTUVWFVLOUFVRU-GFCCVEGCSA-N 0 0 299.823 3.186 20 10 CGCDRN CC(C)[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000263899302 519790295 /nfs/dbraw/zinc/79/02/95/519790295.db2.gz VHIMKRRKBJQHBB-ZDUSSCGKSA-N 0 0 262.397 3.051 20 10 CGCDRN CCCCC[C@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297186268 520301093 /nfs/dbraw/zinc/30/10/93/520301093.db2.gz LLLWTLJUBVDDFS-ZDUSSCGKSA-N 0 0 262.397 3.492 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/C1CC1 ZINC000282489677 520546818 /nfs/dbraw/zinc/54/68/18/520546818.db2.gz MKCVRPOQBAIXNO-ZHACJKMWSA-N 0 0 273.376 3.487 20 10 CGCDRN CCN(C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(OC)cc1 ZINC000277041306 521220886 /nfs/dbraw/zinc/22/08/86/521220886.db2.gz TXHJMSYGFMXWER-HNNXBMFYSA-N 0 0 289.375 3.007 20 10 CGCDRN CCN(Cc1ccc(C(=O)NC)cc1)c1ccc(OC)cc1 ZINC000264500382 521300720 /nfs/dbraw/zinc/30/07/20/521300720.db2.gz LYGUGDGITJGTJQ-UHFFFAOYSA-N 0 0 298.386 3.081 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C(C)C ZINC000264809525 521317282 /nfs/dbraw/zinc/31/72/82/521317282.db2.gz BPWFGECQFOBGGA-AWEZNQCLSA-N 0 0 276.424 3.393 20 10 CGCDRN CCN(Cc1nnc(-c2ccco2)o1)c1ccc(OC)cc1 ZINC000266732750 521460922 /nfs/dbraw/zinc/46/09/22/521460922.db2.gz KZSDJSKVAFXGJC-UHFFFAOYSA-N 0 0 299.330 3.365 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000280264847 521750907 /nfs/dbraw/zinc/75/09/07/521750907.db2.gz MCSJFKNYCCKUMB-OAHLLOKOSA-N 0 0 283.799 3.437 20 10 CGCDRN COC(=O)c1cnc(S[C@@H](C)c2cccnc2)s1 ZINC000295276926 522342619 /nfs/dbraw/zinc/34/26/19/522342619.db2.gz KCXVQMZPMDIUMY-QMMMGPOBSA-N 0 0 280.374 3.178 20 10 CGCDRN COC[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000080238036 522751235 /nfs/dbraw/zinc/75/12/35/522751235.db2.gz SNCQKTOXYFCOKT-INIZCTEOSA-N 0 0 288.391 3.131 20 10 CGCDRN CC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000131997005 523311801 /nfs/dbraw/zinc/31/18/01/523311801.db2.gz DFNUADIOLBISBH-TZMCWYRMSA-N 0 0 276.380 3.112 20 10 CGCDRN COCCOc1ccc(NCc2ccccc2O)cc1 ZINC000037106132 524050610 /nfs/dbraw/zinc/05/06/10/524050610.db2.gz JUPJGLQHFZPLQI-UHFFFAOYSA-N 0 0 273.332 3.030 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(Cl)nc2)c(OC)c1 ZINC000131782600 524353937 /nfs/dbraw/zinc/35/39/37/524353937.db2.gz 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ZINC000889110216 618141576 /nfs/dbraw/zinc/14/15/76/618141576.db2.gz PMOKRWNIHYXBFA-JTQLQIEISA-N 0 0 290.392 3.092 20 10 CGCDRN COc1ccc(O)c(CNC(=O)/C=C\C2CCCCC2)c1 ZINC000255330112 618206845 /nfs/dbraw/zinc/20/68/45/618206845.db2.gz BXYGRBYCDKMQJT-YFHOEESVSA-N 0 0 289.375 3.154 20 10 CGCDRN N#Cc1cc(F)ccc1CSc1nccs1 ZINC000077566623 618216106 /nfs/dbraw/zinc/21/61/06/618216106.db2.gz MHYCRNLUJZFPJC-UHFFFAOYSA-N 0 0 250.323 3.446 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(F)cc2OC)c1 ZINC000049564007 618635455 /nfs/dbraw/zinc/63/54/55/618635455.db2.gz RELXAVBBROMZII-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185023942 625290710 /nfs/dbraw/zinc/29/07/10/625290710.db2.gz PFVBSZQSNRYSFM-RDBSUJKOSA-N 0 0 294.414 3.302 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1[O-] ZINC000177232542 618809843 /nfs/dbraw/zinc/80/98/43/618809843.db2.gz ZKLSECHKMBWLLN-NSHDSACASA-N 0 0 279.355 3.354 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)C)cc1 ZINC000177306702 618814676 /nfs/dbraw/zinc/81/46/76/618814676.db2.gz KFIOJDKHVAINEA-UHFFFAOYSA-N 0 0 277.412 3.131 20 10 CGCDRN CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000177659008 618833849 /nfs/dbraw/zinc/83/38/49/618833849.db2.gz ZCNRZPVOBKIZIJ-UHFFFAOYSA-N 0 0 287.315 3.057 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)OC2CCCC2)cc1 ZINC000312747446 619136642 /nfs/dbraw/zinc/13/66/42/619136642.db2.gz KIDKTXMYOUXVKG-UHFFFAOYSA-N 0 0 276.380 3.264 20 10 CGCDRN Cc1cc(NCc2ccccc2O)ccc1C(=O)N(C)C ZINC000194917583 619144436 /nfs/dbraw/zinc/14/44/36/619144436.db2.gz KRIRENBGLMUNIQ-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN CN(C(=O)c1cc2c(s1)CCC2)c1ccc(N)cc1 ZINC000020373924 619147275 /nfs/dbraw/zinc/14/72/75/619147275.db2.gz VHFUHWSICZXYBU-UHFFFAOYSA-N 0 0 272.373 3.096 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cccc(CCO)c2)c(O)c1 ZINC000313143992 619163635 /nfs/dbraw/zinc/16/36/35/619163635.db2.gz KTYDGBPNGCZJAH-ZDUSSCGKSA-N 0 0 271.360 3.409 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000185224302 619222585 /nfs/dbraw/zinc/22/25/85/619222585.db2.gz PNGDCULDDRWKPI-RISCZKNCSA-N 0 0 287.334 3.186 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCCSCC2)c(Cl)c1 ZINC000840936486 619227443 /nfs/dbraw/zinc/22/74/43/619227443.db2.gz JYKYNPXIRITGKJ-UHFFFAOYSA-N 0 0 271.813 3.293 20 10 CGCDRN O=[N+]([O-])c1c(NCc2ccccc2O)ccc2ncccc21 ZINC000318267770 619261261 /nfs/dbraw/zinc/26/12/61/619261261.db2.gz JFGNUDZIRSJBGV-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN CC(C)C[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893802886 619319948 /nfs/dbraw/zinc/31/99/48/619319948.db2.gz LRYCPBDXFXVWIJ-SNVBAGLBSA-N 0 0 284.787 3.279 20 10 CGCDRN COc1cc(C)cc(CNc2ccccc2N(C)C)c1O ZINC000894113568 619378176 /nfs/dbraw/zinc/37/81/76/619378176.db2.gz LNCGOKOKMCPQJH-UHFFFAOYSA-N 0 0 286.375 3.387 20 10 CGCDRN COc1ccccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000048402600 619490619 /nfs/dbraw/zinc/49/06/19/619490619.db2.gz JCBQPYDDBUQDAU-WQLSENKSSA-N 0 0 291.397 3.059 20 10 CGCDRN Cc1ncoc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000894781029 619634094 /nfs/dbraw/zinc/63/40/94/619634094.db2.gz MKCHCTLBHZUSMR-UHFFFAOYSA-N 0 0 287.146 3.285 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)Nc1ccccc1 ZINC000048874690 619649221 /nfs/dbraw/zinc/64/92/21/619649221.db2.gz VFOUIRSBPJXJMY-SECBINFHSA-N 0 0 264.375 3.262 20 10 CGCDRN Oc1cccc(Cl)c1CN1CC(C(F)(F)F)C1 ZINC000894892278 619670944 /nfs/dbraw/zinc/67/09/44/619670944.db2.gz OESNXYGJDQUDTL-UHFFFAOYSA-N 0 0 265.662 3.040 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000895316919 619804206 /nfs/dbraw/zinc/80/42/06/619804206.db2.gz FWGHKAHBRPPPPV-SUZMYJTESA-N 0 0 294.782 3.033 20 10 CGCDRN Oc1cccc2c1CN(Cc1c(Cl)n[nH]c1C1CC1)C2 ZINC000895783735 619884807 /nfs/dbraw/zinc/88/48/07/619884807.db2.gz BRXGYWOKNXZYIE-UHFFFAOYSA-N 0 0 289.766 3.162 20 10 CGCDRN CC(C)c1nsc(NCc2c(O)cccc2F)n1 ZINC000895832607 619894433 /nfs/dbraw/zinc/89/44/33/619894433.db2.gz IOODGLRGPXQAMD-UHFFFAOYSA-N 0 0 267.329 3.118 20 10 CGCDRN CC(C)[C@@H](NC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000895858996 619898341 /nfs/dbraw/zinc/89/83/41/619898341.db2.gz YWWRHUGCKKTONC-CYBMUJFWSA-N 0 0 296.798 3.279 20 10 CGCDRN CSCc1cnc(CNCc2c(O)cccc2F)s1 ZINC000896637932 620041669 /nfs/dbraw/zinc/04/16/69/620041669.db2.gz MCXRWZLPAKQTRF-UHFFFAOYSA-N 0 0 298.408 3.141 20 10 CGCDRN Cc1ccc(NC(=O)Cc2ccc(N)cc2)c(Cl)c1 ZINC000020470968 620073793 /nfs/dbraw/zinc/07/37/93/620073793.db2.gz DJKYTUDCXSPDGB-UHFFFAOYSA-N 0 0 274.751 3.412 20 10 CGCDRN C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000151865705 620180659 /nfs/dbraw/zinc/18/06/59/620180659.db2.gz OFRPSLVGXCCXEI-GJZGRUSLSA-N 0 0 299.418 3.145 20 10 CGCDRN CC1(C(=O)NCc2c(O)cccc2F)CCCCC1 ZINC000928707124 620207839 /nfs/dbraw/zinc/20/78/39/620207839.db2.gz AMLXWTPUNMSNPK-UHFFFAOYSA-N 0 0 265.328 3.118 20 10 CGCDRN O=C(C=C1CCCCC1)NCc1c(O)cccc1F ZINC000928712233 620208743 /nfs/dbraw/zinc/20/87/43/620208743.db2.gz PBELGEFKWQHKTP-UHFFFAOYSA-N 0 0 263.312 3.038 20 10 CGCDRN Oc1ccc(F)cc1CNc1cnn(C2CCC2)c1 ZINC000897878058 620442595 /nfs/dbraw/zinc/44/25/95/620442595.db2.gz ROQQABUDNAEYNV-UHFFFAOYSA-N 0 0 261.300 3.065 20 10 CGCDRN CCCCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000897936517 620452079 /nfs/dbraw/zinc/45/20/79/620452079.db2.gz XFRKRCRXRHQHJM-UHFFFAOYSA-N 0 0 294.351 3.121 20 10 CGCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000897967293 620458689 /nfs/dbraw/zinc/45/86/89/620458689.db2.gz MRAZDSWQTYQSML-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000898214586 620488452 /nfs/dbraw/zinc/48/84/52/620488452.db2.gz FBVWYJIJUGYYPM-UHFFFAOYSA-N 0 0 291.782 3.257 20 10 CGCDRN Cc1ncccc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898256453 620505137 /nfs/dbraw/zinc/50/51/37/620505137.db2.gz XINQLKZZMUVLSZ-UHFFFAOYSA-N 0 0 276.767 3.081 20 10 CGCDRN C[N@H+](Cc1scnc1C1CC1)Cc1ccccc1O ZINC000787110734 620506789 /nfs/dbraw/zinc/50/67/89/620506789.db2.gz JBOVDCLIWXTPRF-UHFFFAOYSA-N 0 0 274.389 3.358 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](C)CCC[C@@H](C)C(=O)[O-])cc1C ZINC000841794824 620578051 /nfs/dbraw/zinc/57/80/51/620578051.db2.gz JVDXHNSRUVJJEY-OCCSQVGLSA-N 0 0 293.407 3.373 20 10 CGCDRN CC1(C)C[C@@]1(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898980017 620612744 /nfs/dbraw/zinc/61/27/44/620612744.db2.gz NQGDWKHILGXRSG-OAHLLOKOSA-N 0 0 291.372 3.231 20 10 CGCDRN CC(C)Nc1ccccc1NC[C@@H]1C[C@]12CCOC2 ZINC000902104272 621137283 /nfs/dbraw/zinc/13/72/83/621137283.db2.gz AJSJCGXNECKLDM-BBRMVZONSA-N 0 0 260.381 3.345 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1cc(F)cc(F)c1[O-] ZINC000903251279 621641187 /nfs/dbraw/zinc/64/11/87/621641187.db2.gz HIBCGWICBHLNTA-UAKXVISKSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(Cl)cc1[O-] ZINC000903257606 621645280 /nfs/dbraw/zinc/64/52/80/621645280.db2.gz IHKXUWMAXNDQHD-NSHDSACASA-N 0 0 295.810 3.391 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000903317328 621688539 /nfs/dbraw/zinc/68/85/39/621688539.db2.gz MMSKWVWBMUYUGY-FMVNMVDZSA-N 0 0 289.375 3.018 20 10 CGCDRN C[C@@H](N[C@H](c1ncccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903334336 621690288 /nfs/dbraw/zinc/69/02/88/621690288.db2.gz XSHOJDUHKRPUTQ-DYVFJYSZSA-N 0 0 296.418 3.345 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903393147 621718129 /nfs/dbraw/zinc/71/81/29/621718129.db2.gz HTDWLGGGCKKLSI-HOTUBEGUSA-N 0 0 289.297 3.097 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903397412 621721224 /nfs/dbraw/zinc/72/12/24/621721224.db2.gz YJHNQKVJUNKWJV-VHSKPIJISA-N 0 0 290.190 3.385 20 10 CGCDRN CC[C@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(Cl)c1[O-] ZINC000903408305 621731490 /nfs/dbraw/zinc/73/14/90/621731490.db2.gz RVLSIBDODBDNNO-KBPBESRZSA-N 0 0 283.799 3.247 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCSC[C@@H]2C2CC2)cc1 ZINC000904501129 621927034 /nfs/dbraw/zinc/92/70/34/621927034.db2.gz SJESXKNUVVTIFT-CQSZACIVSA-N 0 0 291.420 3.018 20 10 CGCDRN CC(C)(C)c1nnc(NCc2cc(F)cc(F)c2O)s1 ZINC000905404714 622067230 /nfs/dbraw/zinc/06/72/30/622067230.db2.gz BEDSGOHCMVSWGH-UHFFFAOYSA-N 0 0 299.346 3.432 20 10 CGCDRN O=C(OC[C@@H]1CCCC2(CCC2)O1)C1=CC(=O)CS1 ZINC000909003465 622383030 /nfs/dbraw/zinc/38/30/30/622383030.db2.gz NRGSASYPMCTXOV-NSHDSACASA-N 0 0 282.361 3.102 20 10 CGCDRN COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(N)cc2)c1 ZINC000911660188 622541301 /nfs/dbraw/zinc/54/13/01/622541301.db2.gz HVXNTBWXRNJMDR-CYBMUJFWSA-N 0 0 298.386 3.485 20 10 CGCDRN CCOc1ccc(N(C)Cc2nccn2C(F)F)cc1 ZINC000150730332 622657011 /nfs/dbraw/zinc/65/70/11/622657011.db2.gz BKDIGBRLRNLPIW-UHFFFAOYSA-N 0 0 281.306 3.313 20 10 CGCDRN CCC(CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000164480995 622836865 /nfs/dbraw/zinc/83/68/65/622836865.db2.gz ZFOMUZSYFMLHET-UHFFFAOYSA-N 0 0 262.397 3.195 20 10 CGCDRN CC(C)CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646969 622880879 /nfs/dbraw/zinc/88/08/79/622880879.db2.gz MVBPOHDIELYGDC-UHFFFAOYSA-N 0 0 295.402 3.079 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2(C)CC2)cc1F ZINC000157357241 622899373 /nfs/dbraw/zinc/89/93/73/622899373.db2.gz MQOYPHAYEBVISI-UHFFFAOYSA-N 0 0 278.371 3.088 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc2c(c1)OC(F)(F)O2 ZINC000226585626 622986355 /nfs/dbraw/zinc/98/63/55/622986355.db2.gz ABFNISBCUSGEOR-UHFFFAOYSA-N 0 0 297.232 3.465 20 10 CGCDRN COCCOc1cccc(NCc2cccc(C)c2O)c1 ZINC000158047120 622995740 /nfs/dbraw/zinc/99/57/40/622995740.db2.gz KCHXBCDGZSSULZ-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN Cn1c(Sc2nccs2)nnc1-c1cccs1 ZINC000060215930 623033082 /nfs/dbraw/zinc/03/30/82/623033082.db2.gz XATHXTCKEDRXES-UHFFFAOYSA-N 0 0 280.403 3.151 20 10 CGCDRN Cc1ccccc1COC(=O)c1ccc(C)c(O)c1O ZINC000060343434 623035491 /nfs/dbraw/zinc/03/54/91/623035491.db2.gz QFLOXSWZPNQNIY-UHFFFAOYSA-N 0 0 272.300 3.072 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCOC2)cc1 ZINC000171697293 623183623 /nfs/dbraw/zinc/18/36/23/623183623.db2.gz SKLRJBGUVAUIBP-INIZCTEOSA-N 0 0 298.386 3.003 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000173131883 623310106 /nfs/dbraw/zinc/31/01/06/623310106.db2.gz VWIAGWSWBXURNS-RWMBFGLXSA-N 0 0 291.391 3.404 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])nc1C ZINC000314192146 623661292 /nfs/dbraw/zinc/66/12/92/623661292.db2.gz PYQWKYILENQLGJ-LBPRGKRZSA-N 0 0 274.339 3.394 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ncnc3c2CCCC3)c1 ZINC000152567009 623692074 /nfs/dbraw/zinc/69/20/74/623692074.db2.gz FVDOGZIPVMIKGB-LLVKDONJSA-N 0 0 299.374 3.243 20 10 CGCDRN CCN(Cc1ccnc(OC)c1)c1ccc(OC)cc1 ZINC000762925037 623854452 /nfs/dbraw/zinc/85/44/52/623854452.db2.gz BOOIMEXGWNPDFO-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CSC(C)C)cc1 ZINC000916502982 624170016 /nfs/dbraw/zinc/17/00/16/624170016.db2.gz YFOHKFWBQXRIEC-UHFFFAOYSA-N 0 0 294.464 3.291 20 10 CGCDRN CC[N@@H+](Cc1c(O)ccc2ccncc21)CC(C)C ZINC000917454543 624272501 /nfs/dbraw/zinc/27/25/01/624272501.db2.gz SEBHIACFCVYECZ-UHFFFAOYSA-N 0 0 258.365 3.418 20 10 CGCDRN Cc1cc(O)c(CN2CCc3ccc([N+](=O)[O-])cc32)cc1C ZINC000919947269 624433952 /nfs/dbraw/zinc/43/39/52/624433952.db2.gz JESIHESFVUFNEI-UHFFFAOYSA-N 0 0 298.342 3.480 20 10 CGCDRN CCN(CC)c1ccc(C=Cc2n[nH]cc2C=O)cc1 ZINC000920070439 624445045 /nfs/dbraw/zinc/44/50/45/624445045.db2.gz SYBNARKKRZFSSG-YFHOEESVSA-N 0 0 269.348 3.239 20 10 CGCDRN CCOC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000124539043 634385954 /nfs/dbraw/zinc/38/59/54/634385954.db2.gz FHHDYNCSRZWOLC-UHFFFAOYSA-N 0 0 269.772 3.047 20 10 CGCDRN CCOc1ccc(O)c(CN(C)c2ccccc2)c1 ZINC000179549161 624664205 /nfs/dbraw/zinc/66/42/05/624664205.db2.gz UIXXSKOTCVEHGD-UHFFFAOYSA-N 0 0 257.333 3.427 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2O)cc1F ZINC000180774655 624771579 /nfs/dbraw/zinc/77/15/79/624771579.db2.gz HDYGKLASGQIZJG-UHFFFAOYSA-N 0 0 261.296 3.176 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180811400 624776227 /nfs/dbraw/zinc/77/62/27/624776227.db2.gz VZJMCKKJOHIGFF-SKFMMRCFSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1c(F)cccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180837410 624778756 /nfs/dbraw/zinc/77/87/56/624778756.db2.gz SEOBKZDCXJEQGV-SOFGYWHQSA-N 0 0 287.290 3.197 20 10 CGCDRN CC(C)CC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186396953 625802501 /nfs/dbraw/zinc/80/25/01/625802501.db2.gz CBXGXKJUTHROTL-GFCCVEGCSA-N 0 0 293.407 3.217 20 10 CGCDRN CC(C)(NCc1ccc2c(c1)CCCO2)C(F)F ZINC000922075749 625969053 /nfs/dbraw/zinc/96/90/53/625969053.db2.gz FGYHINRZXMHDDZ-UHFFFAOYSA-N 0 0 255.308 3.145 20 10 CGCDRN CCCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073955035 626076700 /nfs/dbraw/zinc/07/67/00/626076700.db2.gz RMDVJPKLWDYDLR-UHFFFAOYSA-N 0 0 274.408 3.483 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(C)c(F)c2)c1 ZINC000020091580 634482611 /nfs/dbraw/zinc/48/26/11/634482611.db2.gz HYGWNTUFEFTEID-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(C(C)C)CC1 ZINC000838479995 626233659 /nfs/dbraw/zinc/23/36/59/626233659.db2.gz VJWWRTLBMAOHIY-UHFFFAOYSA-N 0 0 289.423 3.049 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnc(C2CC2)nc1 ZINC000839002266 626295247 /nfs/dbraw/zinc/29/52/47/626295247.db2.gz SBLBYGVNJCPGCB-UHFFFAOYSA-N 0 0 295.386 3.315 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139150 626322505 /nfs/dbraw/zinc/32/25/05/626322505.db2.gz COMXXXYEXQQTQU-UHFFFAOYSA-N 0 0 273.710 3.119 20 10 CGCDRN CN(C)c1ccc(CN2Cc3cccc(F)c3C2)cc1 ZINC000839184497 626327213 /nfs/dbraw/zinc/32/72/13/626327213.db2.gz UHHAEFQIRAVSPM-UHFFFAOYSA-N 0 0 270.351 3.408 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H]2C)cc1 ZINC000804967516 626367072 /nfs/dbraw/zinc/36/70/72/626367072.db2.gz WGSSYDOYKHKRRR-CZUORRHYSA-N 0 0 289.423 3.131 20 10 CGCDRN C/C=C(/C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000751311589 626385001 /nfs/dbraw/zinc/38/50/01/626385001.db2.gz MMBYFBTXBHFOPL-NSIKDUERSA-N 0 0 274.408 3.457 20 10 CGCDRN CN1CCc2cc(/C=C3/C(=O)Oc4ccccc43)ccc21 ZINC000751520507 626393831 /nfs/dbraw/zinc/39/38/31/626393831.db2.gz BGCILTSIWSBYDD-RVDMUPIBSA-N 0 0 277.323 3.139 20 10 CGCDRN Cc1ccc(C(=O)NCC(C)(C)c2ccccc2)c(O)c1O ZINC000751533601 626394819 /nfs/dbraw/zinc/39/48/19/626394819.db2.gz OVBKXJJTFHPGHK-UHFFFAOYSA-N 0 0 299.370 3.114 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CC(C)C ZINC000752220398 626421360 /nfs/dbraw/zinc/42/13/60/626421360.db2.gz GLVSIFUMHQXVLS-CQSZACIVSA-N 0 0 291.439 3.295 20 10 CGCDRN Cc1ccc(C(=O)OCc2ccc(F)cc2F)c(O)c1O ZINC000754096347 626475362 /nfs/dbraw/zinc/47/53/62/626475362.db2.gz QJHIKIDXOKNUHO-UHFFFAOYSA-N 0 0 294.253 3.041 20 10 CGCDRN C[C@H]1CCCN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000754692315 626582790 /nfs/dbraw/zinc/58/27/90/626582790.db2.gz KKFKTKHDZVLDRP-VFNNOXKTSA-N 0 0 293.370 3.420 20 10 CGCDRN O=C(OCCCOCc1ccccc1)C1=CC(=O)CS1 ZINC000754818542 626588455 /nfs/dbraw/zinc/58/84/55/626588455.db2.gz UCGFAEOZRKUMGP-UHFFFAOYSA-N 0 0 292.356 3.217 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)cs2)cc1OC ZINC000756034074 626671130 /nfs/dbraw/zinc/67/11/30/626671130.db2.gz NRPNOJFODOTXMR-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccccc2)c1 ZINC000756354610 626695267 /nfs/dbraw/zinc/69/52/67/626695267.db2.gz GHLSCUZJMILUMN-ZDUSSCGKSA-N 0 0 299.370 3.072 20 10 CGCDRN C[C@H]([NH2+]CCCOCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000756357561 626695560 /nfs/dbraw/zinc/69/55/60/626695560.db2.gz DQSMAUMIYJUGCT-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN COCCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756495790 626710025 /nfs/dbraw/zinc/71/00/25/626710025.db2.gz AWTQQXYIRKUOQF-JTQLQIEISA-N 0 0 273.323 3.138 20 10 CGCDRN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756568102 626715604 /nfs/dbraw/zinc/71/56/04/626715604.db2.gz BDMXTAZXTCCDTF-OTYXRUKQSA-N 0 0 287.350 3.118 20 10 CGCDRN CSC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756585961 626718758 /nfs/dbraw/zinc/71/87/58/626718758.db2.gz PDCMIXUUWULPOY-JGVFFNPUSA-N 0 0 261.337 3.073 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000756595914 626719325 /nfs/dbraw/zinc/71/93/25/626719325.db2.gz ZYFDTRIAPSBGAB-OQPBUACISA-N 0 0 299.342 3.116 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756637018 626722879 /nfs/dbraw/zinc/72/28/79/626722879.db2.gz YTOSZGXEBDRJNJ-VXGBXAGGSA-N 0 0 274.339 3.208 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000756642654 626724035 /nfs/dbraw/zinc/72/40/35/626724035.db2.gz PNZJVNKMVHTAQP-NHYWBVRUSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756656097 626724584 /nfs/dbraw/zinc/72/45/84/626724584.db2.gz TZAGUWSYFFEYMZ-BONVTDFDSA-N 0 0 293.313 3.055 20 10 CGCDRN CC[C@@H](N[C@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000756661120 626725515 /nfs/dbraw/zinc/72/55/15/626725515.db2.gz XWOGPTRXMAPOPW-TZMCWYRMSA-N 0 0 293.407 3.472 20 10 CGCDRN CCC1(O)CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000756675909 626726768 /nfs/dbraw/zinc/72/67/68/626726768.db2.gz HXSXNGUHHYIVFK-FFKNIBCLSA-N 0 0 281.371 3.266 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756769812 626730804 /nfs/dbraw/zinc/73/08/04/626730804.db2.gz NXAIBOIVUJBQGB-UWVGGRQHSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@H](CO)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756786228 626732127 /nfs/dbraw/zinc/73/21/27/626732127.db2.gz ZHSJFACABKXGNL-DMDPSCGWSA-N 0 0 281.371 3.078 20 10 CGCDRN CC(C)N(CC1CCC1)C(=O)C1=CC(=O)CS1 ZINC000839739226 626784342 /nfs/dbraw/zinc/78/43/42/626784342.db2.gz ISAYQFBPEDVQBW-UHFFFAOYSA-N 0 0 253.367 3.104 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1 ZINC000757609927 626793132 /nfs/dbraw/zinc/79/31/32/626793132.db2.gz BRPVQKLHEQRENL-GFCCVEGCSA-N 0 0 296.370 3.160 20 10 CGCDRN COC(=O)c1oc(COc2ccc(N(C)C)cc2)cc1C ZINC000757701701 626802555 /nfs/dbraw/zinc/80/25/55/626802555.db2.gz BSELQBRXANLCKP-UHFFFAOYSA-N 0 0 289.331 3.020 20 10 CGCDRN Cc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC000758521062 626847233 /nfs/dbraw/zinc/84/72/33/626847233.db2.gz CRUYNHITYZRIQI-SOFGYWHQSA-N 0 0 298.338 3.471 20 10 CGCDRN CC(C)(C)CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759596961 626907963 /nfs/dbraw/zinc/90/79/63/626907963.db2.gz XLDLXUPYXGOZPS-FNORWQNLSA-N 0 0 264.321 3.090 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCC[C@H](C)O)cc1 ZINC000759933595 626931873 /nfs/dbraw/zinc/93/18/73/626931873.db2.gz NPQGAJZOCSJNNG-ZDUSSCGKSA-N 0 0 251.370 3.071 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C3CC3)o2)cc1OC ZINC000760822808 626993946 /nfs/dbraw/zinc/99/39/46/626993946.db2.gz YWAGEWPQJCIEBS-UHFFFAOYSA-N 0 0 288.347 3.206 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C)CCCC2)c1 ZINC000761974750 627076661 /nfs/dbraw/zinc/07/66/61/627076661.db2.gz XKCFSXOCTGWPTE-LLVKDONJSA-N 0 0 277.364 3.158 20 10 CGCDRN Cc1cnc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1C ZINC000764133695 627197096 /nfs/dbraw/zinc/19/70/96/627197096.db2.gz AQGPZEKSIABWEZ-UHFFFAOYSA-N 0 0 296.418 3.328 20 10 CGCDRN CCN1C(=O)/C(=C\c2cc(C)oc2C)SC1=S ZINC000767877506 627440835 /nfs/dbraw/zinc/44/08/35/627440835.db2.gz FBWBMQITEWHLHI-UXBLZVDNSA-N 0 0 267.375 3.118 20 10 CGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000769332253 627542454 /nfs/dbraw/zinc/54/24/54/627542454.db2.gz ZNVAFEOSLMQTHA-ZDUSSCGKSA-N 0 0 251.757 3.420 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCO[C@H](c2ccco2)C1 ZINC000769544101 627564617 /nfs/dbraw/zinc/56/46/17/627564617.db2.gz UEDVBVXGGSPRBP-HNNXBMFYSA-N 0 0 293.750 3.212 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000770284413 627611979 /nfs/dbraw/zinc/61/19/79/627611979.db2.gz QGKWZCCXZZASQZ-RKDXNWHRSA-N 0 0 284.743 3.184 20 10 CGCDRN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770284409 627612085 /nfs/dbraw/zinc/61/20/85/627612085.db2.gz QGKWZCCXZZASQZ-DTWKUNHWSA-N 0 0 284.743 3.184 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]1C(C)C ZINC000771893348 627742064 /nfs/dbraw/zinc/74/20/64/627742064.db2.gz HHWAKMZNKDJEJD-IRXDYDNUSA-N 0 0 288.435 3.393 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000772997340 627839370 /nfs/dbraw/zinc/83/93/70/627839370.db2.gz GTUWFTKOQDFPJZ-ZIAGYGMSSA-N 0 0 272.392 3.286 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000772997337 627839378 /nfs/dbraw/zinc/83/93/78/627839378.db2.gz GTUWFTKOQDFPJZ-KBPBESRZSA-N 0 0 272.392 3.286 20 10 CGCDRN C[C@H](NC(=O)CSC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773009641 627841468 /nfs/dbraw/zinc/84/14/68/627841468.db2.gz LIEOSPFWRLMADY-LBPRGKRZSA-N 0 0 294.464 3.462 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC12CCC2)c1ccc(N(C)C)cc1 ZINC000773015460 627842490 /nfs/dbraw/zinc/84/24/90/627842490.db2.gz OQGRTHLBPNFHJO-DOMZBBRYSA-N 0 0 272.392 3.120 20 10 CGCDRN CS[C@@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773026467 627843773 /nfs/dbraw/zinc/84/37/73/627843773.db2.gz ROHJYWGKCWLZNP-NWDGAFQWSA-N 0 0 280.437 3.071 20 10 CGCDRN Cc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)ncn1 ZINC000773255972 627869917 /nfs/dbraw/zinc/86/99/17/627869917.db2.gz VZNYMRJNFSDHBJ-UHFFFAOYSA-N 0 0 286.766 3.127 20 10 CGCDRN CC(C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773621321 627900393 /nfs/dbraw/zinc/90/03/93/627900393.db2.gz XJIZYADZBZGNPK-ZDUSSCGKSA-N 0 0 277.412 3.159 20 10 CGCDRN C[C@H](NC(=O)N1CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773624578 627901346 /nfs/dbraw/zinc/90/13/46/627901346.db2.gz OHKCLBZIMDJHDV-STQMWFEESA-N 0 0 275.396 3.008 20 10 CGCDRN C[C@@H]([NH2+]CC1(O)CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774182729 627957717 /nfs/dbraw/zinc/95/77/17/627957717.db2.gz UHJMHWSWYULURG-MRVPVSSYSA-N 0 0 290.190 3.265 20 10 CGCDRN CN(Cc1ccccc1O)c1ncncc1-c1ccccc1 ZINC000774692897 628015334 /nfs/dbraw/zinc/01/53/34/628015334.db2.gz RGWXUFVMMRKMFT-UHFFFAOYSA-N 0 0 291.354 3.486 20 10 CGCDRN Cc1cnc([C@@H](C)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000774753788 628024442 /nfs/dbraw/zinc/02/44/42/628024442.db2.gz OTAJZODWWZOJNY-GFCCVEGCSA-N 0 0 287.363 3.009 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775030155 628054810 /nfs/dbraw/zinc/05/48/10/628054810.db2.gz QYYXYYNYCWEVQI-GHMZBOCLSA-N 0 0 296.367 3.223 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccnn1C)c1cc(Cl)ccc1O ZINC000775493242 628100116 /nfs/dbraw/zinc/10/01/16/628100116.db2.gz WBIFJMQHAIKZDP-CYBMUJFWSA-N 0 0 279.771 3.020 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cccc(C)c1O ZINC000775632311 628116733 /nfs/dbraw/zinc/11/67/33/628116733.db2.gz XNLWRYYDWSNNNJ-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000775664570 628122308 /nfs/dbraw/zinc/12/23/08/628122308.db2.gz YQUBUFNHTMTNLG-GFCCVEGCSA-N 0 0 287.762 3.186 20 10 CGCDRN CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775763433 628134009 /nfs/dbraw/zinc/13/40/09/628134009.db2.gz GJUMHEYBKPNPLF-GFCCVEGCSA-N 0 0 257.736 3.415 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000776145155 628171162 /nfs/dbraw/zinc/17/11/62/628171162.db2.gz XHZBHPPCMNZUQE-HIFRSBDPSA-N 0 0 287.407 3.222 20 10 CGCDRN C[C@H](NC(=O)N1CCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000776248405 628183619 /nfs/dbraw/zinc/18/36/19/628183619.db2.gz ZPHSYWUIHCKXGC-ZDUSSCGKSA-N 0 0 289.423 3.255 20 10 CGCDRN C[C@H](NC(=O)N1CCC1(C)C)c1ccc(N(C)C)cc1 ZINC000776237341 628183792 /nfs/dbraw/zinc/18/37/92/628183792.db2.gz GHBGXDVDEMDQEL-LBPRGKRZSA-N 0 0 275.396 3.008 20 10 CGCDRN Cc1cc(C(=O)Cn2ccnc2C)c(C)n1-c1ccccc1 ZINC000776858579 628236633 /nfs/dbraw/zinc/23/66/33/628236633.db2.gz FZKYQYCWSZUQOG-UHFFFAOYSA-N 0 0 293.370 3.482 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccno2)cc1 ZINC000777779225 628299480 /nfs/dbraw/zinc/29/94/80/628299480.db2.gz HEQPEJANKOGTQS-UHFFFAOYSA-N 0 0 295.342 3.012 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]1c1ccccc1 ZINC000779495629 628415499 /nfs/dbraw/zinc/41/54/99/628415499.db2.gz FPLNKBDLAFMBJA-SOIVGHGOSA-N 0 0 295.338 3.085 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(C)c1 ZINC000779498797 628415550 /nfs/dbraw/zinc/41/55/50/628415550.db2.gz KHSSDDSBJPHJPX-CSKARUKUSA-N 0 0 297.354 3.473 20 10 CGCDRN CC(C)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779521196 628416579 /nfs/dbraw/zinc/41/65/79/628416579.db2.gz XJIVNNQENUGDER-LEJCZOIISA-N 0 0 289.375 3.148 20 10 CGCDRN CC/C(C)=C(/C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000779747165 628425865 /nfs/dbraw/zinc/42/58/65/628425865.db2.gz STIAPQUTTLTMQS-SEYXRHQNSA-N 0 0 260.381 3.115 20 10 CGCDRN Cc1cnc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)c1 ZINC000779916975 628442145 /nfs/dbraw/zinc/44/21/45/628442145.db2.gz XMDLRLMQLYJWBR-UHFFFAOYSA-N 0 0 297.402 3.003 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000780622106 628505581 /nfs/dbraw/zinc/50/55/81/628505581.db2.gz QEQNNHMDZBRZDZ-IPYPFGDCSA-N 0 0 289.423 3.301 20 10 CGCDRN CCOc1ccc(O)c(CN2CCc3ccccc32)c1 ZINC000780763005 628515406 /nfs/dbraw/zinc/51/54/06/628515406.db2.gz SIEAUIDQWHJEMN-UHFFFAOYSA-N 0 0 269.344 3.354 20 10 CGCDRN COc1ccc(O)c(CN2CC3(CC3)c3ccccc32)c1 ZINC000780774177 628516171 /nfs/dbraw/zinc/51/61/71/628516171.db2.gz HFNNRDIHNQSJBX-UHFFFAOYSA-N 0 0 281.355 3.453 20 10 CGCDRN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1F ZINC000780929500 628524693 /nfs/dbraw/zinc/52/46/93/628524693.db2.gz SDDIWEYTTZOAOL-UHFFFAOYSA-N 0 0 275.279 3.106 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)c(O)c1O ZINC000780931402 628525159 /nfs/dbraw/zinc/52/51/59/628525159.db2.gz JBJKSBJVJCWXIP-LLVKDONJSA-N 0 0 297.354 3.245 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1O ZINC000780950345 628526043 /nfs/dbraw/zinc/52/60/43/628526043.db2.gz LSPRHZBYBDCZCM-YNEHKIRRSA-N 0 0 289.375 3.105 20 10 CGCDRN CC[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000780950643 628526204 /nfs/dbraw/zinc/52/62/04/628526204.db2.gz SXOBVTFYGWDNKU-NWDGAFQWSA-N 0 0 277.364 3.105 20 10 CGCDRN CCOc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1O ZINC000781640196 628581679 /nfs/dbraw/zinc/58/16/79/628581679.db2.gz WGNXPYMJZYVAPT-NSHDSACASA-N 0 0 290.338 3.176 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C(C)C)c1 ZINC000781894850 628602645 /nfs/dbraw/zinc/60/26/45/628602645.db2.gz MYNTXWMJRYJBGX-UHFFFAOYSA-N 0 0 272.186 3.303 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000782013233 628609600 /nfs/dbraw/zinc/60/96/00/628609600.db2.gz HSMVGMMAVPMDRT-NEPJUHHUSA-N 0 0 291.391 3.404 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1cccc2c1OCO2 ZINC000782379915 628643182 /nfs/dbraw/zinc/64/31/82/628643182.db2.gz DWQYTIDTIZFTRJ-UHFFFAOYSA-N 0 0 277.707 3.386 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cnoc2C)cc1 ZINC000782512134 628651307 /nfs/dbraw/zinc/65/13/07/628651307.db2.gz IQGSSJVFVBVYAE-UHFFFAOYSA-N 0 0 260.337 3.408 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(F)cc(F)c1[O-] ZINC000783311593 628702960 /nfs/dbraw/zinc/70/29/60/628702960.db2.gz WBSYZUBDYSVSMQ-ONGXEEELSA-N 0 0 269.291 3.014 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C/c1cnccc1C ZINC000783917450 628757467 /nfs/dbraw/zinc/75/74/67/628757467.db2.gz XHYZMRQFEITRJY-CMDGGOBGSA-N 0 0 282.343 3.075 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)CC1)c1ccccc1O ZINC000875258802 634686610 /nfs/dbraw/zinc/68/66/10/634686610.db2.gz FWWCGYIMBFBKNV-JHJVBQTASA-N 0 0 276.380 3.331 20 10 CGCDRN CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1cccc(Cl)c1[O-] ZINC000806149614 628855757 /nfs/dbraw/zinc/85/57/57/628855757.db2.gz GMJGLADRFPWLCT-BXUZGUMPSA-N 0 0 285.815 3.495 20 10 CGCDRN C[C@@H](NC(=O)NCC(C1CC1)C1CC1)c1ccccc1O ZINC000875318009 634689995 /nfs/dbraw/zinc/68/99/95/634689995.db2.gz CAZCMUXEOCQWNG-LLVKDONJSA-N 0 0 288.391 3.189 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)CC2)c(O)c1O ZINC000785758631 628886011 /nfs/dbraw/zinc/88/60/11/628886011.db2.gz CJRGCMRTSNTEMD-CMPLNLGQSA-N 0 0 277.364 3.105 20 10 CGCDRN Cc1cc(C(=O)OCC(C)(C)F)c(C)n1-c1ccccn1 ZINC000785925676 628900087 /nfs/dbraw/zinc/90/00/87/628900087.db2.gz LICSZCPUFRDMOT-UHFFFAOYSA-N 0 0 290.338 3.394 20 10 CGCDRN CCOc1ccc(N(CC)CC[C@H]2CCCO2)cc1 ZINC000787261384 629004901 /nfs/dbraw/zinc/00/49/01/629004901.db2.gz MFBGHNRNMFPZIO-OAHLLOKOSA-N 0 0 263.381 3.481 20 10 CGCDRN CCOc1ccc(N(CC)CC[C@@H]2CCCO2)cc1 ZINC000787261382 629005681 /nfs/dbraw/zinc/00/56/81/629005681.db2.gz MFBGHNRNMFPZIO-HNNXBMFYSA-N 0 0 263.381 3.481 20 10 CGCDRN C[C@H](NC(=O)N(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000875508027 634704340 /nfs/dbraw/zinc/70/43/40/634704340.db2.gz RAHUMBYTDZDQIG-LBPRGKRZSA-N 0 0 287.407 3.150 20 10 CGCDRN CCOCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788500091 629060234 /nfs/dbraw/zinc/06/02/34/629060234.db2.gz YNPMMALJMXWMAZ-SNVBAGLBSA-N 0 0 291.313 3.488 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590338 629066572 /nfs/dbraw/zinc/06/65/72/629066572.db2.gz VMCRROFKBQMWOQ-NXEZZACHSA-N 0 0 290.329 3.012 20 10 CGCDRN CC(C)OCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788742652 629078072 /nfs/dbraw/zinc/07/80/72/629078072.db2.gz XONHUIJIMALUPK-SNVBAGLBSA-N 0 0 291.313 3.487 20 10 CGCDRN CCOc1cccc(CNc2ccc3c(c2)COC3)c1O ZINC000125448376 634706638 /nfs/dbraw/zinc/70/66/38/634706638.db2.gz BGMPSJAOSPHTQB-UHFFFAOYSA-N 0 0 285.343 3.433 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CC[C@H](C)O1 ZINC000789306496 629122817 /nfs/dbraw/zinc/12/28/17/629122817.db2.gz PDVJCLXSLIYMEY-SWLSCSKDSA-N 0 0 261.365 3.015 20 10 CGCDRN CCc1cncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000790035298 629179216 /nfs/dbraw/zinc/17/92/16/629179216.db2.gz KGAUPSRTSNIHMX-CYBMUJFWSA-N 0 0 297.402 3.201 20 10 CGCDRN CC(C)=CCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000790503582 629214396 /nfs/dbraw/zinc/21/43/96/629214396.db2.gz WAMRANKJTXFALW-CQSZACIVSA-N 0 0 289.423 3.469 20 10 CGCDRN CC[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000790648769 629223006 /nfs/dbraw/zinc/22/30/06/629223006.db2.gz QMJWGGGGLTZLPP-GFCCVEGCSA-N 0 0 262.397 3.113 20 10 CGCDRN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cccc(O)c1O ZINC000790914475 629240802 /nfs/dbraw/zinc/24/08/02/629240802.db2.gz BBHKVYAXNKIHKW-UHFFFAOYSA-N 0 0 294.310 3.345 20 10 CGCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000790955659 629241847 /nfs/dbraw/zinc/24/18/47/629241847.db2.gz HINPTYSZQFNSHS-QMMMGPOBSA-N 0 0 257.736 3.320 20 10 CGCDRN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790958655 629243022 /nfs/dbraw/zinc/24/30/22/629243022.db2.gz KAUHOWXVRNHNFA-XPTSAGLGSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCC1 ZINC000790979723 629245985 /nfs/dbraw/zinc/24/59/85/629245985.db2.gz GWUNRGZMUHWHOK-MRVPVSSYSA-N 0 0 257.736 3.463 20 10 CGCDRN CC[C@@H](C)n1ncc(NCc2ccccc2O)c1C ZINC000791003752 629249117 /nfs/dbraw/zinc/24/91/17/629249117.db2.gz HIHFKUKGBMWDNY-LLVKDONJSA-N 0 0 259.353 3.480 20 10 CGCDRN CCCCC[N@H+](CCO)Cc1c([O-])ccc(Cl)c1F ZINC000792162839 629342707 /nfs/dbraw/zinc/34/27/07/629342707.db2.gz QFBQDQJQHAKSLX-UHFFFAOYSA-N 0 0 289.778 3.169 20 10 CGCDRN C[C@H](NC(=O)N1[C@H](C)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000792178930 629345969 /nfs/dbraw/zinc/34/59/69/629345969.db2.gz LMTPXLGMLVXREX-XQQFMLRXSA-N 0 0 275.396 3.006 20 10 CGCDRN Oc1ccc(-c2ccccc2)cc1CN1CC2(C1)CCCO2 ZINC000862484363 629386004 /nfs/dbraw/zinc/38/60/04/629386004.db2.gz LWAQVDNHGVGETO-UHFFFAOYSA-N 0 0 295.382 3.424 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000862757364 629430071 /nfs/dbraw/zinc/43/00/71/629430071.db2.gz QZRIQDYGBIZWIZ-GFCCVEGCSA-N 0 0 261.365 3.143 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C2CC2)O1 ZINC000793219889 629430544 /nfs/dbraw/zinc/43/05/44/629430544.db2.gz PJMUCRVACHITAB-BMIGLBTASA-N 0 0 281.783 3.045 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCCc2ccccc2)c1 ZINC000862759672 629430639 /nfs/dbraw/zinc/43/06/39/629430639.db2.gz IZISVLOVSAIENI-UHFFFAOYSA-N 0 0 283.371 3.340 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)CC(C)C)c1 ZINC000862757744 629430998 /nfs/dbraw/zinc/43/09/98/629430998.db2.gz DATAMGPCPBYIJP-UHFFFAOYSA-N 0 0 263.381 3.389 20 10 CGCDRN CC[C@@H](CC(=O)NCc1cc(C)ccc1O)C(C)C ZINC000862760977 629431588 /nfs/dbraw/zinc/43/15/88/629431588.db2.gz YNTRWYKUHVBMQC-ZDUSSCGKSA-N 0 0 263.381 3.389 20 10 CGCDRN Oc1cc2c(cc1CN1CCO[C@H]3C[C@H]31)oc1ccccc12 ZINC000793611333 629490548 /nfs/dbraw/zinc/49/05/48/629490548.db2.gz DNXWCZXBEJCVID-KDOFPFPSSA-N 0 0 295.338 3.265 20 10 CGCDRN COc1ccc(CNC(=O)[C@H](C)c2cccc(C)c2)c(O)c1 ZINC000794381284 629538496 /nfs/dbraw/zinc/53/84/96/629538496.db2.gz NZPLHZFLPRPGQT-CYBMUJFWSA-N 0 0 299.370 3.129 20 10 CGCDRN CCCC(CCC)C(=O)NCc1ccc(OC)cc1O ZINC000794390696 629539030 /nfs/dbraw/zinc/53/90/30/629539030.db2.gz OUFKBTIYPWJOPN-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN CCN(Cc1cc(OC)c(C)cc1O)[C@H](C)C(F)(F)F ZINC000794679494 629565538 /nfs/dbraw/zinc/56/55/38/629565538.db2.gz RRYXWVKLJPZRMP-SNVBAGLBSA-N 0 0 291.313 3.482 20 10 CGCDRN COc1ccc(CNC(=O)Nc2ccc(C)cc2)c(O)c1 ZINC000794762387 629576076 /nfs/dbraw/zinc/57/60/76/629576076.db2.gz UBXVDRBVMVNVQY-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCC1 ZINC000119623423 629668946 /nfs/dbraw/zinc/66/89/46/629668946.db2.gz VCOJXDQVWLLGSV-VIFPVBQESA-N 0 0 284.197 3.433 20 10 CGCDRN CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796758307 629827872 /nfs/dbraw/zinc/82/78/72/629827872.db2.gz FSMAEPZHHRXGMC-GOEBONIOSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(F)cc1[O-] ZINC000796764550 629829538 /nfs/dbraw/zinc/82/95/38/629829538.db2.gz VEMPKUJNUIMXLB-ZBFHGGJFSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+]Cc1ncccc1F)c1ccc(F)cc1[O-] ZINC000796840269 629845732 /nfs/dbraw/zinc/84/57/32/629845732.db2.gz MMYYGGOHSNQVQT-ZDUSSCGKSA-N 0 0 278.302 3.306 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(F)cc1[O-] ZINC000797064648 629880673 /nfs/dbraw/zinc/88/06/73/629880673.db2.gz HRVSOGNGQPPUCW-JIMOISOXSA-N 0 0 269.385 3.324 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CCC=C(C)C2)c1O ZINC000797998470 630013220 /nfs/dbraw/zinc/01/32/20/630013220.db2.gz HOEUUTLGEYROMC-UHFFFAOYSA-N 0 0 279.767 3.400 20 10 CGCDRN CCCCN(C(=O)/C=C(/C)c1cnccn1)c1ccccn1 ZINC000876081306 634783145 /nfs/dbraw/zinc/78/31/45/634783145.db2.gz BNNJNXFDFCGZAZ-OWBHPGMISA-N 0 0 296.374 3.108 20 10 CGCDRN C[C@H](NC(=S)N[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000865269186 630041417 /nfs/dbraw/zinc/04/14/17/630041417.db2.gz CJQPTXLSTJQSFO-MBNYWOFBSA-N 0 0 292.448 3.496 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798937721 630127567 /nfs/dbraw/zinc/12/75/67/630127567.db2.gz OZLWJOAAWCFYJU-GRYCIOLGSA-N 0 0 278.352 3.387 20 10 CGCDRN CC[C@H](C)N(CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000798954966 630128641 /nfs/dbraw/zinc/12/86/41/630128641.db2.gz IJYNHIZEVGBEGI-NSHDSACASA-N 0 0 299.798 3.128 20 10 CGCDRN CSc1cccc(F)c1C(=O)NCc1ccccc1O ZINC000798980426 630132827 /nfs/dbraw/zinc/13/28/27/630132827.db2.gz PENWYQZRVIKQFW-UHFFFAOYSA-N 0 0 291.347 3.183 20 10 CGCDRN Cc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)no1 ZINC000800310554 630264900 /nfs/dbraw/zinc/26/49/00/630264900.db2.gz AKGPJRVMAKSAJJ-NSHDSACASA-N 0 0 277.343 3.039 20 10 CGCDRN COc1cccc(CNC(=O)C2=CCC(C)(C)CC2)c1O ZINC000836778257 634800840 /nfs/dbraw/zinc/80/08/40/634800840.db2.gz VJXOISXNGSZPDX-UHFFFAOYSA-N 0 0 289.375 3.154 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)no1 ZINC000801549293 630343204 /nfs/dbraw/zinc/34/32/04/630343204.db2.gz JEQANFXFPNTMCA-UHFFFAOYSA-N 0 0 288.347 3.131 20 10 CGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccsc1 ZINC000802384985 630397130 /nfs/dbraw/zinc/39/71/30/630397130.db2.gz KDQGOIIHMVYLKB-NSHDSACASA-N 0 0 290.388 3.356 20 10 CGCDRN Cc1ccc(O)c(CN2CCOc3cccc(F)c3C2)c1 ZINC000802656097 630403170 /nfs/dbraw/zinc/40/31/70/630403170.db2.gz KGAKTRZAMPMILU-UHFFFAOYSA-N 0 0 287.334 3.234 20 10 CGCDRN CSc1cccc(NCc2ccc(N(C)C)cc2)n1 ZINC000804610737 630543063 /nfs/dbraw/zinc/54/30/63/630543063.db2.gz NZXZMFKLPFJVMV-UHFFFAOYSA-N 0 0 273.405 3.482 20 10 CGCDRN CC1(C)CC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808422098 630643042 /nfs/dbraw/zinc/64/30/42/630643042.db2.gz XOMJCWCVURVFSN-LLVKDONJSA-N 0 0 257.736 3.463 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)C(C)(F)F)cc2)CC1 ZINC000808461138 630648041 /nfs/dbraw/zinc/64/80/41/630648041.db2.gz AGORWYSNKKDGSW-UHFFFAOYSA-N 0 0 296.361 3.194 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000808724794 630671256 /nfs/dbraw/zinc/67/12/56/630671256.db2.gz JLLFYPKVJIGBLF-LLVKDONJSA-N 0 0 296.367 3.014 20 10 CGCDRN COc1ccc(N(C)Cc2oc(C)nc2C)cc1F ZINC000809954496 630819407 /nfs/dbraw/zinc/81/94/07/630819407.db2.gz UKEIMECJRUDVTP-UHFFFAOYSA-N 0 0 264.300 3.076 20 10 CGCDRN CN(C)c1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000810000774 630826431 /nfs/dbraw/zinc/82/64/31/630826431.db2.gz MYOMKUUXIYMXCQ-UHFFFAOYSA-N 0 0 285.343 3.103 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1c(C)cnn1C ZINC000811508523 631078298 /nfs/dbraw/zinc/07/82/98/631078298.db2.gz UVVKRJKAQTURSN-UHFFFAOYSA-N 0 0 285.391 3.080 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(C)c2[N+](=O)[O-])c1 ZINC000811805670 631121152 /nfs/dbraw/zinc/12/11/52/631121152.db2.gz YZOQISRJYYZIAG-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN CON(Cc1ccccc1Cl)C(=O)C1=CC(=O)CS1 ZINC000812427378 631259843 /nfs/dbraw/zinc/25/98/43/631259843.db2.gz VVRGPODJBBHEGR-UHFFFAOYSA-N 0 0 297.763 3.311 20 10 CGCDRN Cn1cc(NCc2cc(Cl)cc(F)c2O)c(C2CC2)n1 ZINC000812777557 631307066 /nfs/dbraw/zinc/30/70/66/631307066.db2.gz OCHLTRPRAWWMMS-UHFFFAOYSA-N 0 0 295.745 3.408 20 10 CGCDRN Nc1ccc(CCNC(=O)CC2CCC(F)(F)CC2)cc1 ZINC000876528121 634852104 /nfs/dbraw/zinc/85/21/04/634852104.db2.gz LPZBUKNDGHVTTD-UHFFFAOYSA-N 0 0 296.361 3.143 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCCCF ZINC000813223546 631390952 /nfs/dbraw/zinc/39/09/52/631390952.db2.gz XZLVJAARFYLCFK-UHFFFAOYSA-N 0 0 296.386 3.454 20 10 CGCDRN COc1ccc2nc(NCc3ccccc3O)c(C)nc2c1 ZINC000814836292 631651923 /nfs/dbraw/zinc/65/19/23/631651923.db2.gz NCQWCACVFJDHBS-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815596729 631803166 /nfs/dbraw/zinc/80/31/66/631803166.db2.gz CNDMIUQDECQPPV-SECBINFHSA-N 0 0 291.313 3.080 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1[O-] ZINC000815642376 631810941 /nfs/dbraw/zinc/81/09/41/631810941.db2.gz AEQLMFJWLJYBIM-QMTHXVAHSA-N 0 0 290.338 3.434 20 10 CGCDRN CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816477590 631986796 /nfs/dbraw/zinc/98/67/96/631986796.db2.gz CSYFLLBWXZLUHX-LLVKDONJSA-N 0 0 287.762 3.186 20 10 CGCDRN CCc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])on1 ZINC000816528090 632004798 /nfs/dbraw/zinc/00/47/98/632004798.db2.gz LZSUHKLAKRECNM-UHFFFAOYSA-N 0 0 284.718 3.025 20 10 CGCDRN C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548617 632007290 /nfs/dbraw/zinc/00/72/90/632007290.db2.gz NASQDZZHMOQIFH-QPUJVOFHSA-N 0 0 257.736 3.463 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000816550536 632008541 /nfs/dbraw/zinc/00/85/41/632008541.db2.gz UCYQUEXRUGSQKR-AWEZNQCLSA-N 0 0 295.741 3.008 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554282 632010632 /nfs/dbraw/zinc/01/06/32/632010632.db2.gz UBBPOUAAZNGNPV-VIFPVBQESA-N 0 0 289.778 3.478 20 10 CGCDRN CC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC000816555816 632011438 /nfs/dbraw/zinc/01/14/38/632011438.db2.gz QVJZGKHHCDKGMF-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000816559757 632013056 /nfs/dbraw/zinc/01/30/56/632013056.db2.gz UDVRBZACMGDMIO-DOFRTFSJSA-N 0 0 287.762 3.230 20 10 CGCDRN OCc1ccc(NCc2ccc3ccccc3c2O)nc1 ZINC000816599034 632020680 /nfs/dbraw/zinc/02/06/80/632020680.db2.gz ZYGVEXCUJWJCSH-UHFFFAOYSA-N 0 0 280.327 3.045 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630729 632026679 /nfs/dbraw/zinc/02/66/79/632026679.db2.gz PHLUSNLCBQSIHM-CYBMUJFWSA-N 0 0 299.773 3.064 20 10 CGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cncnc1 ZINC000817418263 632146696 /nfs/dbraw/zinc/14/66/96/632146696.db2.gz IHHQSCWDFJBABW-INIZCTEOSA-N 0 0 297.402 3.320 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CO[C@H](C)C3)cc12 ZINC000817760385 632223322 /nfs/dbraw/zinc/22/33/22/632223322.db2.gz AWRLIUWABNJIGX-ZWNOBZJWSA-N 0 0 287.359 3.126 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)cc12 ZINC000817761626 632223424 /nfs/dbraw/zinc/22/34/24/632223424.db2.gz NKKJTSRDMUACNG-XKQJLSEDSA-N 0 0 299.370 3.126 20 10 CGCDRN CC[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945211 632242610 /nfs/dbraw/zinc/24/26/10/632242610.db2.gz XGGXQGKPIQQCHE-GZMMTYOYSA-N 0 0 289.206 3.102 20 10 CGCDRN C[C@@H]([NH2+]CCNC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817953992 632249249 /nfs/dbraw/zinc/24/92/49/632249249.db2.gz URLIAPRDVGSZFF-MRVPVSSYSA-N 0 0 289.206 3.102 20 10 CGCDRN CC(C)COc1ccccc1NC[C@@H](O)CC(F)(F)F ZINC000819416805 632455069 /nfs/dbraw/zinc/45/50/69/632455069.db2.gz SGAZGTBDEQHKCE-NSHDSACASA-N 0 0 291.313 3.447 20 10 CGCDRN C=C=CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000820194231 632584987 /nfs/dbraw/zinc/58/49/87/632584987.db2.gz YNOHCTSXRXWQDL-UHFFFAOYSA-N 0 0 296.370 3.174 20 10 CGCDRN Cc1ccc2c(c1)CCCN2C(=O)C1=CC(=O)CS1 ZINC000820405068 632620630 /nfs/dbraw/zinc/62/06/30/632620630.db2.gz DAVCMTIOEOJEAW-UHFFFAOYSA-N 0 0 273.357 3.355 20 10 CGCDRN CC(C)(C)c1cc(Sc2nccs2)ncn1 ZINC000820633636 632657188 /nfs/dbraw/zinc/65/71/88/632657188.db2.gz GVMVPGPRZAOBGS-UHFFFAOYSA-N 0 0 251.380 3.382 20 10 CGCDRN CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822072494 632862643 /nfs/dbraw/zinc/86/26/43/632862643.db2.gz IYVCDPAGDXMYFR-MFKMUULPSA-N 0 0 288.351 3.110 20 10 CGCDRN Cc1sccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000866083863 632995254 /nfs/dbraw/zinc/99/52/54/632995254.db2.gz MIALXDONGJMYRX-UHFFFAOYSA-N 0 0 289.404 3.444 20 10 CGCDRN C[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822862656 633031576 /nfs/dbraw/zinc/03/15/76/633031576.db2.gz JVRYWNSNACNHCC-SJCJKPOMSA-N 0 0 292.398 3.334 20 10 CGCDRN CCc1nc(C)cc(N[C@@H](C)c2ccccc2O)n1 ZINC000866238088 633039192 /nfs/dbraw/zinc/03/91/92/633039192.db2.gz LYCOKQXDPPYLGS-NSHDSACASA-N 0 0 257.337 3.226 20 10 CGCDRN CC(C)c1nccc(N[C@@H](C)c2ccccc2O)n1 ZINC000866237000 633039312 /nfs/dbraw/zinc/03/93/12/633039312.db2.gz GQUYWJLDHRWUHV-NSHDSACASA-N 0 0 257.337 3.479 20 10 CGCDRN C[C@@H](Nc1cnn2c1CCCC2)c1ccccc1O ZINC000866461849 633144591 /nfs/dbraw/zinc/14/45/91/633144591.db2.gz VLDVPTBWGQNEBY-LLVKDONJSA-N 0 0 257.337 3.098 20 10 CGCDRN C[C@@H](Nc1cnn2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000866461608 633145192 /nfs/dbraw/zinc/14/51/92/633145192.db2.gz SGMQCFSEOWRMBD-CYBMUJFWSA-N 0 0 284.407 3.459 20 10 CGCDRN COc1ccc(N(C)Cc2ccncc2C)cc1OC ZINC000824161788 633206235 /nfs/dbraw/zinc/20/62/35/633206235.db2.gz PYBNVHLSDZVEAJ-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN Cc1cc(Br)c(O)c(CN2CC3(CC3)C2)c1 ZINC000824533938 633255567 /nfs/dbraw/zinc/25/55/67/633255567.db2.gz SVRQIAPEDQFAFZ-UHFFFAOYSA-N 0 0 282.181 3.059 20 10 CGCDRN CCN(CC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840488249 633256776 /nfs/dbraw/zinc/25/67/76/633256776.db2.gz KOZZZDGHOCODIN-CQSZACIVSA-N 0 0 291.439 3.043 20 10 CGCDRN CC(C)CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000824705954 633276217 /nfs/dbraw/zinc/27/62/17/633276217.db2.gz PJOOLGWZHYGBFE-UHFFFAOYSA-N 0 0 288.351 3.158 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000867968463 633282678 /nfs/dbraw/zinc/28/26/78/633282678.db2.gz DNMFVURYYLJMTH-DYEKYZERSA-N 0 0 276.380 3.331 20 10 CGCDRN CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000824814740 633294723 /nfs/dbraw/zinc/29/47/23/633294723.db2.gz FAZHKJUQFPUFSP-RNCFNFMXSA-N 0 0 287.762 3.042 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])c2nccn21 ZINC000825017356 633318032 /nfs/dbraw/zinc/31/80/32/633318032.db2.gz PNYKVFGJHLDYIA-UFBFGSQYSA-N 0 0 295.745 3.177 20 10 CGCDRN COCCN(Cc1cc(F)ccc1O)c1ccccc1 ZINC000825036066 633320032 /nfs/dbraw/zinc/32/00/32/633320032.db2.gz ZUGMBHPULBMAAO-UHFFFAOYSA-N 0 0 275.323 3.184 20 10 CGCDRN C[C@H](NC(=O)NCCC1=CCCC1)c1ccccc1O ZINC000868436011 633324040 /nfs/dbraw/zinc/32/40/40/633324040.db2.gz YCPURPSVFOXNQZ-LBPRGKRZSA-N 0 0 274.364 3.253 20 10 CGCDRN CCCc1ncc(CNCc2ccc(OC)c(C)c2)o1 ZINC000825078993 633325890 /nfs/dbraw/zinc/32/58/90/633325890.db2.gz ITVHPPZMQJLZQX-UHFFFAOYSA-N 0 0 274.364 3.234 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1CCC[C@@H]1C)c1ccccc1O ZINC000868578298 633338814 /nfs/dbraw/zinc/33/88/14/633338814.db2.gz ZQKLJGQUIFYTCH-YNEHKIRRSA-N 0 0 276.380 3.189 20 10 CGCDRN CC1(C)CCCN1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000825325307 633345799 /nfs/dbraw/zinc/34/57/99/633345799.db2.gz AIJJFFQRFPQOHQ-UHFFFAOYSA-N 0 0 282.815 3.010 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc2n1CCC2 ZINC000825944711 633390688 /nfs/dbraw/zinc/39/06/88/633390688.db2.gz ZUSMZUMYWUQHQR-UHFFFAOYSA-N 0 0 297.402 3.181 20 10 CGCDRN COc1ccccc1C(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000825992421 633394758 /nfs/dbraw/zinc/39/47/58/633394758.db2.gz ZBGYBINSRGWBEN-UHFFFAOYSA-N 0 0 291.372 3.127 20 10 CGCDRN CC[C@@H](NCc1ccc(Br)cc1O)C(F)F ZINC000826029508 633398890 /nfs/dbraw/zinc/39/88/90/633398890.db2.gz GUBBEJPLWUXTSE-SECBINFHSA-N 0 0 294.139 3.288 20 10 CGCDRN COc1cc(C)cc(C(=O)NCc2cc(C)ccc2O)c1C ZINC000869410987 633440471 /nfs/dbraw/zinc/44/04/71/633440471.db2.gz QBYDQGNPHGURSQ-UHFFFAOYSA-N 0 0 299.370 3.256 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000827166946 633466517 /nfs/dbraw/zinc/46/65/17/633466517.db2.gz LUKQWKCKHYNXKA-BTTYYORXSA-N 0 0 273.376 3.143 20 10 CGCDRN CN(C)c1ccc(CNc2nc(C3CCC3)no2)cc1 ZINC000827317762 633480684 /nfs/dbraw/zinc/48/06/84/633480684.db2.gz ZGYXLJZRRPDSSO-UHFFFAOYSA-N 0 0 272.352 3.015 20 10 CGCDRN CCS[C@H](C(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000827930612 633535378 /nfs/dbraw/zinc/53/53/78/633535378.db2.gz MRTFRXZEZPEKEK-RISCZKNCSA-N 0 0 281.421 3.347 20 10 CGCDRN CC(C)C[C@@H](C)OCCC(=O)N[C@H](C)c1ccccc1O ZINC000827936755 633536968 /nfs/dbraw/zinc/53/69/68/633536968.db2.gz CEAIORBDEHTVQP-ZIAGYGMSSA-N 0 0 293.407 3.411 20 10 CGCDRN C[C@@H](NC(=O)C12CCC(CC1)C2)c1ccccc1O ZINC000827940929 633538237 /nfs/dbraw/zinc/53/82/37/633538237.db2.gz KVKRRVOUDIYVNC-OPGSHWCFSA-N 0 0 259.349 3.150 20 10 CGCDRN Cc1oc(C(C)C)nc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946920 633538915 /nfs/dbraw/zinc/53/89/15/633538915.db2.gz VBXSSUCHCASKSR-SNVBAGLBSA-N 0 0 288.347 3.303 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)C(C)(F)F)c1ccccc1O ZINC000827952000 633539058 /nfs/dbraw/zinc/53/90/58/633539058.db2.gz CDSSUFMVTGIUNI-SECBINFHSA-N 0 0 271.307 3.251 20 10 CGCDRN C[C@@H](NC(=O)C1(Nc2ccccc2)CC1)c1ccccc1O ZINC000827952500 633539456 /nfs/dbraw/zinc/53/94/56/633539456.db2.gz VRPVSCDNORGFHA-CYBMUJFWSA-N 0 0 296.370 3.214 20 10 CGCDRN C[C@@H](NC(=O)/C=C/C1CCCC1)c1ccccc1O ZINC000827952591 633539970 /nfs/dbraw/zinc/53/99/70/633539970.db2.gz YFBAEQGPPZJJBA-HCRIHEDKSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)CC1)c1ccccc1O ZINC000827959944 633541265 /nfs/dbraw/zinc/54/12/65/633541265.db2.gz HQGDCAZKWDCNQM-AVGNSLFASA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)c1ccoc1C1CC1)c1ccccc1O ZINC000827964234 633541832 /nfs/dbraw/zinc/54/18/32/633541832.db2.gz ILFMSPZKSRHOPR-JTQLQIEISA-N 0 0 271.316 3.354 20 10 CGCDRN C[C@H](NC(=O)c1cc(C(C)(C)C)on1)c1ccccc1O ZINC000827972894 633542972 /nfs/dbraw/zinc/54/29/72/633542972.db2.gz CEOOZRZUFRNPEI-JTQLQIEISA-N 0 0 288.347 3.169 20 10 CGCDRN C[C@H](NC(=O)c1ccnn1C1CCCC1)c1ccccc1O ZINC000827973438 633543321 /nfs/dbraw/zinc/54/33/21/633543321.db2.gz PJFNKRRHJBZYMU-LBPRGKRZSA-N 0 0 299.374 3.195 20 10 CGCDRN Cc1ccc([C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000827973439 633543528 /nfs/dbraw/zinc/54/35/28/633543528.db2.gz PNWSUTKDIHQJEC-NEPJUHHUSA-N 0 0 273.332 3.275 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCCC1 ZINC000827973472 633543695 /nfs/dbraw/zinc/54/36/95/633543695.db2.gz QPSFFRDIZSAZFY-NEPJUHHUSA-N 0 0 261.365 3.396 20 10 CGCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827978613 633544166 /nfs/dbraw/zinc/54/41/66/633544166.db2.gz YJHIUSZGFZTTBY-NSHDSACASA-N 0 0 275.373 3.182 20 10 CGCDRN CCN(CCC[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000828037862 633551701 /nfs/dbraw/zinc/55/17/01/633551701.db2.gz LBBMCFCHSLOKPV-CQSZACIVSA-N 0 0 263.381 3.338 20 10 CGCDRN CC(C)[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000828535292 633625857 /nfs/dbraw/zinc/62/58/57/633625857.db2.gz QXNWMZQTJSNINR-IOASZLSFSA-N 0 0 291.391 3.021 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CCCC1(F)F)c1ccccc1O ZINC000828539382 633626582 /nfs/dbraw/zinc/62/65/82/633626582.db2.gz ODMGMGYMUBHKLB-QWRGUYRKSA-N 0 0 283.318 3.395 20 10 CGCDRN COc1ccc(O)c([C@H](C)NCc2csc(Cl)n2)c1 ZINC000828681799 633642284 /nfs/dbraw/zinc/64/22/84/633642284.db2.gz GUQAGDBPCVICTR-QMMMGPOBSA-N 0 0 298.795 3.362 20 10 CGCDRN CC(C)=C[C@H]1[C@H](C(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC000871198627 633722913 /nfs/dbraw/zinc/72/29/13/633722913.db2.gz LFGROYBIIJYMAF-GOEBONIOSA-N 0 0 285.387 3.473 20 10 CGCDRN C[C@@H]1CC[C@H](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203493 633724733 /nfs/dbraw/zinc/72/47/33/633724733.db2.gz MPYIMCDLBFUULP-NEPJUHHUSA-N 0 0 259.349 3.061 20 10 CGCDRN CC1=C(C)C[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205682 633725203 /nfs/dbraw/zinc/72/52/03/633725203.db2.gz JXSXLCAQZONMIG-CYBMUJFWSA-N 0 0 271.360 3.371 20 10 CGCDRN Cc1nc(C2CC2)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205438 633725574 /nfs/dbraw/zinc/72/55/74/633725574.db2.gz SPFCJYGVDQIOEY-UHFFFAOYSA-N 0 0 294.354 3.129 20 10 CGCDRN CC1(C)CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205353 633725671 /nfs/dbraw/zinc/72/56/71/633725671.db2.gz YZYJXESBVFSJSU-ZDUSSCGKSA-N 0 0 259.349 3.061 20 10 CGCDRN Cc1cc(C)cc(CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871208124 633726262 /nfs/dbraw/zinc/72/62/62/633726262.db2.gz YMATWPVSDIBVQZ-UHFFFAOYSA-N 0 0 281.355 3.094 20 10 CGCDRN O=C(C1[C@@H]2CCCCCC[C@@H]12)N1Cc2cccc(O)c2C1 ZINC000871206755 633726812 /nfs/dbraw/zinc/72/68/12/633726812.db2.gz CYTBGWBNUCMCQE-ZIAGYGMSSA-N 0 0 285.387 3.451 20 10 CGCDRN CN(CCC1CC1)C(=O)NCCCSc1nccs1 ZINC000123673408 633791541 /nfs/dbraw/zinc/79/15/41/633791541.db2.gz YDPZLURPUVPDNS-UHFFFAOYSA-N 0 0 299.465 3.067 20 10 CGCDRN C[C@H]1OCC[C@@H]1COc1ccc(N2CCCC2)cc1 ZINC000871736608 633848001 /nfs/dbraw/zinc/84/80/01/633848001.db2.gz RAFXPYZBBJXKFT-ZIAGYGMSSA-N 0 0 261.365 3.091 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)N1CCCC[C@@H]1C ZINC000871847356 633892341 /nfs/dbraw/zinc/89/23/41/633892341.db2.gz PVEONGWFWNPTRW-AWEZNQCLSA-N 0 0 289.423 3.320 20 10 CGCDRN CCn1nc(C)c(CNc2ccccc2NC(C)C)n1 ZINC000871846182 633892595 /nfs/dbraw/zinc/89/25/95/633892595.db2.gz UUIYSNKOXBRBBF-UHFFFAOYSA-N 0 0 273.384 3.039 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)CC2 ZINC000123858454 633914841 /nfs/dbraw/zinc/91/48/41/633914841.db2.gz UMNIAAOAIALMNT-GQCTYLIASA-N 0 0 278.355 3.301 20 10 CGCDRN COc1ccc(N(Cc2nnc(C)s2)CC2CC2)cc1 ZINC000831587785 633980262 /nfs/dbraw/zinc/98/02/62/633980262.db2.gz LWQHAYDMEVONFZ-UHFFFAOYSA-N 0 0 289.404 3.272 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(F)cc1[O-] ZINC000872133072 634054693 /nfs/dbraw/zinc/05/46/93/634054693.db2.gz JXXHJFKACLDNFF-FZMZJTMJSA-N 0 0 289.354 3.432 20 10 CGCDRN O=C(NC[C@H](c1ccccc1)C1CC1)C1=CC(=O)CS1 ZINC000832826667 634100947 /nfs/dbraw/zinc/10/09/47/634100947.db2.gz QZVCTLITTWXTIJ-CQSZACIVSA-N 0 0 287.384 3.377 20 10 CGCDRN CC(C)(C)n1cc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000834733451 634231658 /nfs/dbraw/zinc/23/16/58/634231658.db2.gz IZEIGLYAVIPWNA-ZDUSSCGKSA-N 0 0 271.364 3.443 20 10 CGCDRN CC1(C)CN(C(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000124399330 634244857 /nfs/dbraw/zinc/24/48/57/634244857.db2.gz YPCMLUSFKDREOS-MDZDMXLPSA-N 0 0 294.354 3.299 20 10 CGCDRN CCc1nc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)co1 ZINC000834896514 634273035 /nfs/dbraw/zinc/27/30/35/634273035.db2.gz CRPHAWBYCKSRGB-SKDRFNHKSA-N 0 0 290.338 3.420 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000873183834 634273321 /nfs/dbraw/zinc/27/33/21/634273321.db2.gz LTUHMYRXBOWRRR-LBPRGKRZSA-N 0 0 298.342 3.381 20 10 CGCDRN CCCc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000834900401 634276317 /nfs/dbraw/zinc/27/63/17/634276317.db2.gz PMLDSBHBNHPTNU-JTQLQIEISA-N 0 0 278.327 3.323 20 10 CGCDRN CCn1ncc(NCc2cc(C)c(C)cc2O)c1C ZINC000873196599 634281116 /nfs/dbraw/zinc/28/11/16/634281116.db2.gz WQOKDWZTPCYHSD-UHFFFAOYSA-N 0 0 259.353 3.146 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1ccc(F)cc1[O-] ZINC000834903984 634281243 /nfs/dbraw/zinc/28/12/43/634281243.db2.gz MQPNFCBXFUUUDQ-FUEDEBDSSA-N 0 0 281.371 3.386 20 10 CGCDRN C[C@H]([NH2+]CCN1CCCC1(C)C)c1ccc(F)cc1[O-] ZINC000834908582 634283322 /nfs/dbraw/zinc/28/33/22/634283322.db2.gz GHEHMQZUTQQIQW-LBPRGKRZSA-N 0 0 280.387 3.056 20 10 CGCDRN CCc1nn(C)cc1NC/C=C/c1ccc(N(C)C)cc1 ZINC000835041752 634329428 /nfs/dbraw/zinc/32/94/28/634329428.db2.gz AHDXCDGKFYERMS-VOTSOKGWSA-N 0 0 284.407 3.174 20 10 CGCDRN Cc1ccccc1C(C)(C)C(=O)NCc1ccc(N)cc1 ZINC000837303101 634881779 /nfs/dbraw/zinc/88/17/79/634881779.db2.gz UWZRXLUDWOYYNK-UHFFFAOYSA-N 0 0 282.387 3.171 20 10 CGCDRN CC1(C)CCC(CC(=O)NCc2ccc(N)cc2)CC1 ZINC000837303076 634881792 /nfs/dbraw/zinc/88/17/92/634881792.db2.gz SUFRWEPJPCFERU-UHFFFAOYSA-N 0 0 274.408 3.492 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N)cc2)c(C)n1C(C)C ZINC000837303245 634882019 /nfs/dbraw/zinc/88/20/19/634882019.db2.gz BHCUJCZIAMZSEI-UHFFFAOYSA-N 0 0 285.391 3.198 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC3(CCC3)C2)ccc(F)c1F ZINC000876743083 634890556 /nfs/dbraw/zinc/89/05/56/634890556.db2.gz YGOLVMPBMOOFCX-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN Cc1ccc(CNc2ccc(N3CCCC3=O)cc2)c(O)c1 ZINC000876819828 634906103 /nfs/dbraw/zinc/90/61/03/634906103.db2.gz FUFWPVAZGUMYFR-UHFFFAOYSA-N 0 0 296.370 3.440 20 10 CGCDRN CCNC(=O)c1ccc(C)c(NCc2c(C)cccc2O)c1 ZINC000876842600 634913907 /nfs/dbraw/zinc/91/39/07/634913907.db2.gz LHZUUEKPTOBWBT-UHFFFAOYSA-N 0 0 298.386 3.371 20 10 CGCDRN C[C@H](NC(=O)[C@@H](C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000837543902 634931303 /nfs/dbraw/zinc/93/13/03/634931303.db2.gz YHAMCGGRJJLKOH-STQMWFEESA-N 0 0 274.408 3.366 20 10 CGCDRN Cc1ccc(CNc2ccc(N3CCCC3)cn2)c(O)c1 ZINC000876954230 634936017 /nfs/dbraw/zinc/93/60/17/634936017.db2.gz DXQFIHNLWLWPLB-UHFFFAOYSA-N 0 0 283.375 3.308 20 10 CGCDRN COc1ccc(CNCc2cc(C3CC3)no2)cc1C ZINC000876996243 634946406 /nfs/dbraw/zinc/94/64/06/634946406.db2.gz QKUSOPHLUNOUHL-UHFFFAOYSA-N 0 0 272.348 3.159 20 10 CGCDRN CC(C)=C[C@@H]1[C@H](C(=O)N(C)c2ccc(N)cc2)C1(C)C ZINC000877080441 634976615 /nfs/dbraw/zinc/97/66/15/634976615.db2.gz IWOLDIVTYMEURK-HUUCEWRRSA-N 0 0 272.392 3.470 20 10 CGCDRN Cc1ccc(CNc2cnn(C(C)(C)C)c2)c(O)c1 ZINC000877122123 634990386 /nfs/dbraw/zinc/99/03/86/634990386.db2.gz IOMOJYVFLKBRDN-UHFFFAOYSA-N 0 0 259.353 3.264 20 10 CGCDRN COC(=O)CCc1ccc(NCc2ccc(C)cc2O)cc1 ZINC000877169469 635006248 /nfs/dbraw/zinc/00/62/48/635006248.db2.gz BKZWXADAGWKKNF-UHFFFAOYSA-N 0 0 299.370 3.418 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000840872691 635070147 /nfs/dbraw/zinc/07/01/47/635070147.db2.gz MKTJMDMXEUZLMU-LMLFDSFASA-N 0 0 285.334 3.135 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc(-c2ccco2)o1 ZINC000840880456 635071858 /nfs/dbraw/zinc/07/18/58/635071858.db2.gz UITVYWIIICXGLV-UHFFFAOYSA-N 0 0 298.346 3.316 20 10 CGCDRN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000877540314 635079208 /nfs/dbraw/zinc/07/92/08/635079208.db2.gz WFBSDNACPPXSJZ-DOMZBBRYSA-N 0 0 297.345 3.060 20 10 CGCDRN Cc1cc(O)c(CN2CCC[C@H]2c2ncon2)c(Cl)c1 ZINC000840912432 635081045 /nfs/dbraw/zinc/08/10/45/635081045.db2.gz HQYRATOURXNARO-LBPRGKRZSA-N 0 0 293.754 3.074 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(CO)c1 ZINC000840939081 635087184 /nfs/dbraw/zinc/08/71/84/635087184.db2.gz KJOVDSISDQUYPQ-UHFFFAOYSA-N 0 0 270.376 3.165 20 10 CGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)O1 ZINC000840964933 635094994 /nfs/dbraw/zinc/09/49/94/635094994.db2.gz YHGZVLLDJAEAPW-UTLUCORTSA-N 0 0 287.762 3.088 20 10 CGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H](C)O1 ZINC000840963987 635095136 /nfs/dbraw/zinc/09/51/36/635095136.db2.gz PXVPWXAYTPBWFY-UTLUCORTSA-N 0 0 287.762 3.088 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+]CCCCCC(=O)[O-])c1O ZINC000840995428 635100037 /nfs/dbraw/zinc/10/00/37/635100037.db2.gz LHHSDMCAEWURBE-UHFFFAOYSA-N 0 0 285.771 3.089 20 10 CGCDRN CCCN(CCC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])cc1 ZINC000840995768 635100835 /nfs/dbraw/zinc/10/08/35/635100835.db2.gz UESDXHYDJYKRPM-AWEZNQCLSA-N 0 0 292.423 3.218 20 10 CGCDRN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877618078 635115799 /nfs/dbraw/zinc/11/57/99/635115799.db2.gz GLNDXMTWNVUENM-XYPYZODXSA-N 0 0 285.334 3.106 20 10 CGCDRN C[C@@H](C1CC1)N(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000841299361 635149513 /nfs/dbraw/zinc/14/95/13/635149513.db2.gz BARHEENDPHYRCM-JTQLQIEISA-N 0 0 259.353 3.064 20 10 CGCDRN CCCn1ncc(NC(=O)Nc2ccc(N)cc2)c1C1CC1 ZINC000841300297 635149532 /nfs/dbraw/zinc/14/95/32/635149532.db2.gz UESPGEFTKYXFNJ-UHFFFAOYSA-N 0 0 299.378 3.397 20 10 CGCDRN CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841300128 635149721 /nfs/dbraw/zinc/14/97/21/635149721.db2.gz OHEKBDWINAJVOX-KBPBESRZSA-N 0 0 293.436 3.455 20 10 CGCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCCO1 ZINC000877702375 635154335 /nfs/dbraw/zinc/15/43/35/635154335.db2.gz QVKIPINVHKRYGO-GFCCVEGCSA-N 0 0 285.334 3.108 20 10 CGCDRN Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702531 635154390 /nfs/dbraw/zinc/15/43/90/635154390.db2.gz AHBFYLLJLBSCRO-UHFFFAOYSA-N 0 0 298.342 3.433 20 10 CGCDRN C[C@H](Cc1ccsc1)[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702555 635154460 /nfs/dbraw/zinc/15/44/60/635154460.db2.gz BHSWDWISSDQUFS-LLVKDONJSA-N 0 0 259.374 3.401 20 10 CGCDRN [O-]c1c(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)ccc(F)c1F ZINC000877718298 635162839 /nfs/dbraw/zinc/16/28/39/635162839.db2.gz GWEWLINXKUXKPV-PHIMTYICSA-N 0 0 265.303 3.068 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000877730348 635166036 /nfs/dbraw/zinc/16/60/36/635166036.db2.gz XFMDKOVXUYDVMI-KBPBESRZSA-N 0 0 295.810 3.198 20 10 CGCDRN CC(C)CCC[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841612266 635196024 /nfs/dbraw/zinc/19/60/24/635196024.db2.gz HEJUPWZHZMDSRP-AWEZNQCLSA-N 0 0 291.439 3.325 20 10 CGCDRN COCCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743861 635222456 /nfs/dbraw/zinc/22/24/56/635222456.db2.gz CQPXNILJHGMDHG-JTQLQIEISA-N 0 0 257.761 3.123 20 10 CGCDRN CO[C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747916 635223812 /nfs/dbraw/zinc/22/38/12/635223812.db2.gz UWWKUTZTHZLUJE-NXEZZACHSA-N 0 0 257.761 3.121 20 10 CGCDRN Cc1noc(CCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841747397 635224362 /nfs/dbraw/zinc/22/43/62/635224362.db2.gz FTLUARCDJAVWGY-SECBINFHSA-N 0 0 295.770 3.020 20 10 CGCDRN Cc1c(N[C@H](C)c2ccc(Cl)cc2O)cnn1C ZINC000841755236 635228471 /nfs/dbraw/zinc/22/84/71/635228471.db2.gz XZYTWCHMKYDYJJ-MRVPVSSYSA-N 0 0 265.744 3.261 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(Cl)cc1[O-] ZINC000841755288 635229149 /nfs/dbraw/zinc/22/91/49/635229149.db2.gz IXYZSNUEWRACHR-GMXVVIOVSA-N 0 0 283.799 3.247 20 10 CGCDRN CC(C)C[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956557 635252923 /nfs/dbraw/zinc/25/29/23/635252923.db2.gz HBBJQMWFVMUNRW-MRXNPFEDSA-N 0 0 289.423 3.031 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2nocc2C)cc1 ZINC000877922698 635271913 /nfs/dbraw/zinc/27/19/13/635271913.db2.gz TVWGMYAEASLDAP-UHFFFAOYSA-N 0 0 287.407 3.461 20 10 CGCDRN CC[C@H](N[C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000842925077 635513030 /nfs/dbraw/zinc/51/30/30/635513030.db2.gz DZTYMEHVZRMNMG-STQMWFEESA-N 0 0 291.391 3.089 20 10 CGCDRN CC(=O)CCC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000843020747 635544657 /nfs/dbraw/zinc/54/46/57/635544657.db2.gz KDSHMEBUNQDKMQ-UHFFFAOYSA-N 0 0 299.370 3.332 20 10 CGCDRN [NH3+]CCN(Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000843059219 635554728 /nfs/dbraw/zinc/55/47/28/635554728.db2.gz HCDIFVIWWXMCNA-UHFFFAOYSA-N 0 0 290.794 3.007 20 10 CGCDRN CCCCSCc1nc(Cc2ccc(N)cc2)no1 ZINC000843159019 635588912 /nfs/dbraw/zinc/58/89/12/635588912.db2.gz KSDFBAOSGQISHL-UHFFFAOYSA-N 0 0 277.393 3.276 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843417187 635662838 /nfs/dbraw/zinc/66/28/38/635662838.db2.gz QRNMWEGXXIVPBD-HIFRSBDPSA-N 0 0 295.810 3.437 20 10 CGCDRN Cc1c(NCc2cc(F)ccc2O)n[nH]c1C(C)C ZINC000843426475 635670128 /nfs/dbraw/zinc/67/01/28/635670128.db2.gz ZKIRSYNJEULJQR-UHFFFAOYSA-N 0 0 263.316 3.298 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC2(CCC2)O1 ZINC000843433436 635674578 /nfs/dbraw/zinc/67/45/78/635674578.db2.gz ZXOKLWUSOIECCS-LLVKDONJSA-N 0 0 281.783 3.189 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2CC3(CCC3)C2)cc1F ZINC000843538149 635695122 /nfs/dbraw/zinc/69/51/22/635695122.db2.gz AKQPHWOEQCCYBE-UHFFFAOYSA-N 0 0 290.382 3.088 20 10 CGCDRN CCC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000127525638 635710592 /nfs/dbraw/zinc/71/05/92/635710592.db2.gz PBUVTRNAEQPRNA-UHFFFAOYSA-N 0 0 288.185 3.005 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1cc(NC2CC2)ncn1 ZINC000845709795 636084577 /nfs/dbraw/zinc/08/45/77/636084577.db2.gz XWUWGFHGNZVEPU-UHFFFAOYSA-N 0 0 290.754 3.022 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)c1 ZINC000845834100 636105455 /nfs/dbraw/zinc/10/54/55/636105455.db2.gz QNAKWYXOSNYQES-JHJVBQTASA-N 0 0 291.391 3.404 20 10 CGCDRN C[C@@H](NC(=O)c1c[nH]cc1C1CC1)c1ccccc1O ZINC000881440427 636109806 /nfs/dbraw/zinc/10/98/06/636109806.db2.gz BIARHIKCHJPYRX-SNVBAGLBSA-N 0 0 270.332 3.089 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCCCC(=O)[O-] ZINC000846253762 636167292 /nfs/dbraw/zinc/16/72/92/636167292.db2.gz LYBGZQKQMLDKCK-UHFFFAOYSA-N 0 0 277.364 3.093 20 10 CGCDRN C/C=C(\CC)C(=O)NCc1cc(Cl)ccc1O ZINC000846473984 636188155 /nfs/dbraw/zinc/18/81/55/636188155.db2.gz PILPABNGVOQAFG-YCRREMRBSA-N 0 0 253.729 3.018 20 10 CGCDRN O=C(NCCC[C@@H]1CC1(Cl)Cl)C1=CC(=O)CS1 ZINC000846664893 636215149 /nfs/dbraw/zinc/21/51/49/636215149.db2.gz QAJXYMQNACZEII-SSDOTTSWSA-N 0 0 294.203 3.158 20 10 CGCDRN C[C@]1(c2ccccc2)CCCN1C(=O)c1cccc(O)c1O ZINC000882024462 636235198 /nfs/dbraw/zinc/23/51/98/636235198.db2.gz UCRLIFGPUAOLJM-GOSISDBHSA-N 0 0 297.354 3.249 20 10 CGCDRN C[C@@]1(c2ccccc2)CCCN1C(=O)c1cccc(O)c1O ZINC000882024463 636235544 /nfs/dbraw/zinc/23/55/44/636235544.db2.gz UCRLIFGPUAOLJM-SFHVURJKSA-N 0 0 297.354 3.249 20 10 CGCDRN CCc1nnc(CN(C)c2ccc(-c3nccs3)cc2)[nH]1 ZINC000846995817 636303950 /nfs/dbraw/zinc/30/39/50/636303950.db2.gz POKAVXUGFMBJKN-UHFFFAOYSA-N 0 0 299.403 3.127 20 10 CGCDRN C[C@@H](Nc1cc(C2CC2)ncn1)c1ccccc1O ZINC000882703778 636390161 /nfs/dbraw/zinc/39/01/61/636390161.db2.gz KCXJBHITZMWOJR-SNVBAGLBSA-N 0 0 255.321 3.233 20 10 CGCDRN CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882912549 636461003 /nfs/dbraw/zinc/46/10/03/636461003.db2.gz WWRSBTCWBFKESB-OAHLLOKOSA-N 0 0 293.313 3.148 20 10 CGCDRN CN(C)c1ccccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883015266 636506296 /nfs/dbraw/zinc/50/62/96/636506296.db2.gz NUOMPAQWCOXADY-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1nccn1C(C)C ZINC000107299935 636511222 /nfs/dbraw/zinc/51/12/22/636511222.db2.gz MYFSGTDEBJVMMN-UHFFFAOYSA-N 0 0 271.364 3.035 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000883049930 636520978 /nfs/dbraw/zinc/52/09/78/636520978.db2.gz YQVOEBSAQJFXLV-ZDUSSCGKSA-N 0 0 297.345 3.252 20 10 CGCDRN COCC(C)(C)CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883119809 636546178 /nfs/dbraw/zinc/54/61/78/636546178.db2.gz KWKSPLOFIPYZEA-UHFFFAOYSA-N 0 0 287.350 3.213 20 10 CGCDRN CCNC(=O)c1ccc(NCc2cccc(CC)c2O)cc1 ZINC000848919781 636691161 /nfs/dbraw/zinc/69/11/61/636691161.db2.gz SAQWTDTUEYZNCT-UHFFFAOYSA-N 0 0 298.386 3.316 20 10 CGCDRN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(F)F)cc1 ZINC000883399587 636740228 /nfs/dbraw/zinc/74/02/28/636740228.db2.gz RELCVOZYHCDFGC-QWRGUYRKSA-N 0 0 256.340 3.447 20 10 CGCDRN CC[C@H](N[C@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000883399308 636740315 /nfs/dbraw/zinc/74/03/15/636740315.db2.gz JEXRCIBHVQNZHM-MFKMUULPSA-N 0 0 256.340 3.447 20 10 CGCDRN COc1ccc(O)c(CN(C)c2cccc(C)c2)c1 ZINC000132854625 636843347 /nfs/dbraw/zinc/84/33/47/636843347.db2.gz IEHOLAKYCYEBMD-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N1CC[C@H](C)C1 ZINC000800001762 636901704 /nfs/dbraw/zinc/90/17/04/636901704.db2.gz MNWLAYIPGVJTSG-AWEZNQCLSA-N 0 0 289.423 3.036 20 10 CGCDRN CC1(C)OC[C@H](CCSc2ncc(Cl)s2)O1 ZINC000850001463 636924878 /nfs/dbraw/zinc/92/48/78/636924878.db2.gz HKNJJBWXNWZYIC-ZETCQYMHSA-N 0 0 279.814 3.430 20 10 CGCDRN COCc1noc([C@H](C)Sc2ncc(Cl)s2)n1 ZINC000850000230 636925043 /nfs/dbraw/zinc/92/50/43/636925043.db2.gz NGPUWONLPMLHFQ-YFKPBYRVSA-N 0 0 291.785 3.179 20 10 CGCDRN CC(C)CCN(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000109280037 637020827 /nfs/dbraw/zinc/02/08/27/637020827.db2.gz HYJSQWNRVWOKJB-UHFFFAOYSA-N 0 0 261.369 3.311 20 10 CGCDRN CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccccc1O ZINC000850353728 637023829 /nfs/dbraw/zinc/02/38/29/637023829.db2.gz LBSPYMZAWOOABR-UHFFFAOYSA-N 0 0 265.397 3.059 20 10 CGCDRN CCOc1ccc(O)c(CN[C@H](C)c2cscn2)c1 ZINC000850359291 637027951 /nfs/dbraw/zinc/02/79/51/637027951.db2.gz CTMHDUWHIGUQFF-SNVBAGLBSA-N 0 0 278.377 3.098 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000850495183 637091312 /nfs/dbraw/zinc/09/13/12/637091312.db2.gz XVQXZLIWQMYCHD-DZGCQCFKSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000850583227 637132884 /nfs/dbraw/zinc/13/28/84/637132884.db2.gz JQCQDAARIGMSLZ-PRXAMGSTSA-N 0 0 289.350 3.304 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C3CC3)O2)cc1OC ZINC000885965297 637335684 /nfs/dbraw/zinc/33/56/84/637335684.db2.gz LMBYURZGYHINQN-GJZGRUSLSA-N 0 0 291.391 3.098 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1 ZINC000007910067 637421254 /nfs/dbraw/zinc/42/12/54/637421254.db2.gz QPBSJEDOQNPJHE-JLHYYAGUSA-N 0 0 280.371 3.082 20 10 CGCDRN CCOC(=O)c1sc(-c2ccc(N(C)C)cc2)nc1C ZINC000008042106 637508552 /nfs/dbraw/zinc/50/85/52/637508552.db2.gz UWWYRHIGKOBCOV-UHFFFAOYSA-N 0 0 290.388 3.361 20 10 CGCDRN C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886510864 637546966 /nfs/dbraw/zinc/54/69/66/637546966.db2.gz BGWDCQKJNXORGY-VXGBXAGGSA-N 0 0 289.350 3.435 20 10 CGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886528330 637555153 /nfs/dbraw/zinc/55/51/53/637555153.db2.gz KHUHJFPZHSUKOE-YVEFUNNKSA-N 0 0 289.350 3.090 20 10 CGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1c([O-])cccc1F ZINC000886531171 637556824 /nfs/dbraw/zinc/55/68/24/637556824.db2.gz XLLPNBOKPVRJIB-MEBBXXQBSA-N 0 0 295.379 3.151 20 10 CGCDRN Cc1cnc(CN[C@@H](C)c2c(O)cccc2F)s1 ZINC000886532449 637558000 /nfs/dbraw/zinc/55/80/00/637558000.db2.gz JFBYFKSQECYILK-VIFPVBQESA-N 0 0 266.341 3.147 20 10 CGCDRN COc1cc(CN(C)c2ccc(OC(C)C)cc2)on1 ZINC000851985202 637564361 /nfs/dbraw/zinc/56/43/61/637564361.db2.gz KRGVXSOEHOUBJA-UHFFFAOYSA-N 0 0 276.336 3.107 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2C=CCC2)cc1 ZINC000851987056 637565167 /nfs/dbraw/zinc/56/51/67/637565167.db2.gz JDJQFRPQJKLGPR-HNNXBMFYSA-N 0 0 287.407 3.051 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886547280 637573774 /nfs/dbraw/zinc/57/37/74/637573774.db2.gz IMWMFDXNLYQMAU-HZMBPMFUSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1c([O-])cccc1F ZINC000886562395 637583223 /nfs/dbraw/zinc/58/32/23/637583223.db2.gz YLPLKFRPPJNTOO-TZCMFKBTSA-N 0 0 291.366 3.140 20 10 CGCDRN CCOC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(C)C ZINC000886599000 637598183 /nfs/dbraw/zinc/59/81/83/637598183.db2.gz OVWAITTXYCCYKJ-DGCLKSJQSA-N 0 0 269.360 3.243 20 10 CGCDRN CCOC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886598999 637598712 /nfs/dbraw/zinc/59/87/12/637598712.db2.gz OVWAITTXYCCYKJ-AAEUAGOBSA-N 0 0 269.360 3.243 20 10 CGCDRN C[C@@H](N[C@@H](C)C(F)(F)F)c1c(O)cccc1F ZINC000886610854 637603735 /nfs/dbraw/zinc/60/37/35/637603735.db2.gz LZGMIUPCVZQPAJ-RQJHMYQMSA-N 0 0 251.223 3.133 20 10 CGCDRN COC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCCC1 ZINC000886615823 637607430 /nfs/dbraw/zinc/60/74/30/637607430.db2.gz ORMLHLRNGPXMFK-LLVKDONJSA-N 0 0 267.344 3.141 20 10 CGCDRN COc1cc(N[C@H](C)c2c(O)cccc2F)cnc1OC ZINC000886641762 637624718 /nfs/dbraw/zinc/62/47/18/637624718.db2.gz RIARERWVPQTINO-SECBINFHSA-N 0 0 292.310 3.117 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCSC1)c1c([O-])cccc1F ZINC000886645109 637627124 /nfs/dbraw/zinc/62/71/24/637627124.db2.gz RJBGDYLZSYSOFP-QWRGUYRKSA-N 0 0 269.385 3.325 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)NC2CC(C)(C)C2)cc1 ZINC000852699454 637698360 /nfs/dbraw/zinc/69/83/60/637698360.db2.gz NHJHZFLSWNQQHD-UHFFFAOYSA-N 0 0 289.423 3.083 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC000852796601 637714717 /nfs/dbraw/zinc/71/47/17/637714717.db2.gz GPBAKPAEWZELOX-FVQHAEBGSA-N 0 0 286.419 3.144 20 10 CGCDRN Cc1noc(CSc2ncc(Cl)s2)c1[N+](=O)[O-] ZINC000853022274 637735464 /nfs/dbraw/zinc/73/54/64/637735464.db2.gz GWMNXCZSPBTLPY-UHFFFAOYSA-N 0 0 291.741 3.293 20 10 CGCDRN C[C@@H](NC(=O)N1CC2CC1(C)C2)c1ccc(N(C)C)cc1 ZINC000854005406 637970052 /nfs/dbraw/zinc/97/00/52/637970052.db2.gz WZZDVDAVMPDNPA-SFYCDEOASA-N 0 0 287.407 3.008 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CNC)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233105 638030138 /nfs/dbraw/zinc/03/01/38/638030138.db2.gz XQMZIOBCQVSBSJ-GZMMTYOYSA-N 0 0 291.222 3.348 20 10 CGCDRN C[C@H]1CCCC[C@]1(C)NC(=O)C1=CC(=O)CS1 ZINC000854904727 638118855 /nfs/dbraw/zinc/11/88/55/638118855.db2.gz WWPFZVXHXCLNNN-ZANVPECISA-N 0 0 253.367 3.152 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)CC(F)F ZINC000113500713 638224283 /nfs/dbraw/zinc/22/42/83/638224283.db2.gz VFHFGRVTNYWHNY-UHFFFAOYSA-N 0 0 256.340 3.228 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2cnn(CCF)c2)cc1 ZINC000858246255 638662299 /nfs/dbraw/zinc/66/22/99/638662299.db2.gz AAFHSWFWEQUWNF-ARJAWSKDSA-N 0 0 288.370 3.044 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(Cl)c1 ZINC000858298615 638674269 /nfs/dbraw/zinc/67/42/69/638674269.db2.gz MSHDGUTYEPWGAE-ABAIWWIYSA-N 0 0 281.783 3.011 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)C(C)C)c1 ZINC000858336422 638685526 /nfs/dbraw/zinc/68/55/26/638685526.db2.gz HRFNNMSZEUVNSL-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN O=C(C[C@@H]1CCc2ccccc21)NCc1c(O)cccc1F ZINC000928704500 638888980 /nfs/dbraw/zinc/88/89/80/638888980.db2.gz ADOKZZOZQWHYDV-ZDUSSCGKSA-N 0 0 299.345 3.268 20 10 CGCDRN Cc1cc(CNC(=O)N2CCC2)c(C)n1-c1cccc(C)c1 ZINC000858904066 639041577 /nfs/dbraw/zinc/04/15/77/639041577.db2.gz IPZFUIXWZURDLY-UHFFFAOYSA-N 0 0 297.402 3.318 20 10 CGCDRN CC(C)c1cccc(N(C)C(=O)/C=C\c2cn(C)cn2)c1 ZINC000930678278 639051274 /nfs/dbraw/zinc/05/12/74/639051274.db2.gz FWDDOUWTUNWIAI-HJWRWDBZSA-N 0 0 283.375 3.220 20 10 CGCDRN O=C(C[C@@H]1CC=CCC1)NCCCSc1nccs1 ZINC000932686116 639373250 /nfs/dbraw/zinc/37/32/50/639373250.db2.gz DODQSGCEGOHFFX-GFCCVEGCSA-N 0 0 296.461 3.488 20 10 CGCDRN Cc1nocc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000860834318 639438070 /nfs/dbraw/zinc/43/80/70/639438070.db2.gz MRQBWHMZKILPSF-UHFFFAOYSA-N 0 0 284.315 3.311 20 10 CGCDRN C[C@@H]1CC[C@H](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026999 639634548 /nfs/dbraw/zinc/63/45/48/639634548.db2.gz GPOMGRXNAJCKKF-OLZOCXBDSA-N 0 0 298.386 3.383 20 10 CGCDRN COc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])c(O)c1 ZINC000040906278 639898502 /nfs/dbraw/zinc/89/85/02/639898502.db2.gz ZIGICUBLEANPMY-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN C[C@H](C1CC1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155684039 639944926 /nfs/dbraw/zinc/94/49/26/639944926.db2.gz CJOZYFRRBKLXQW-CQSZACIVSA-N 0 0 299.418 3.003 20 10 CGCDRN O=C(NCc1ccccc1O)[C@@H]1CCCc2sccc21 ZINC000157752565 639993253 /nfs/dbraw/zinc/99/32/53/639993253.db2.gz FEPIMCUJBDJSDT-CYBMUJFWSA-N 0 0 287.384 3.190 20 10 CGCDRN O=C(CSc1nccs1)Nc1ccc(F)cc1F ZINC000047239736 640006824 /nfs/dbraw/zinc/00/68/24/640006824.db2.gz MWXDXWOZIRRVHS-UHFFFAOYSA-N 0 0 286.328 3.152 20 10 CGCDRN CCC(CC)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000047621028 640021306 /nfs/dbraw/zinc/02/13/06/640021306.db2.gz SBDKHYJDZDBPRG-UHFFFAOYSA-N 0 0 289.423 3.275 20 10 CGCDRN O=C(CC/C=C/c1ccccc1)NCc1ccc(O)c(O)c1 ZINC000159028147 640028216 /nfs/dbraw/zinc/02/82/16/640028216.db2.gz CGIBAJSDGWEHGU-XBXARRHUSA-N 0 0 297.354 3.208 20 10 CGCDRN Cn1c2ccccc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000048878459 640074876 /nfs/dbraw/zinc/07/48/76/640074876.db2.gz HCFIYTDFDYJQRE-UHFFFAOYSA-N 0 0 293.370 3.077 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1F ZINC000075159817 640123001 /nfs/dbraw/zinc/12/30/01/640123001.db2.gz GAJBYJNEAUWUQH-UHFFFAOYSA-N 0 0 299.345 3.340 20 10 CGCDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000075409627 640132841 /nfs/dbraw/zinc/13/28/41/640132841.db2.gz JMFAQQOIIUHGQG-UHFFFAOYSA-N 0 0 276.361 3.426 20 10 CGCDRN C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000075544814 640143125 /nfs/dbraw/zinc/14/31/25/640143125.db2.gz PBRSXSXMAMSURD-KBPBESRZSA-N 0 0 289.423 3.083 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H](C)O1 ZINC000245645033 640629612 /nfs/dbraw/zinc/62/96/12/640629612.db2.gz FKOPCTOYMILHOC-PWSUYJOCSA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000247412474 640720764 /nfs/dbraw/zinc/72/07/64/640720764.db2.gz ZJJITAVQFLQMOD-VIKVFOODSA-N 0 0 290.407 3.358 20 10 CGCDRN Cc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1F ZINC001156924008 805752703 /nfs/dbraw/zinc/75/27/03/805752703.db2.gz KRYULYHGXVAVJX-UHFFFAOYSA-N 0 0 273.355 3.232 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ncc(F)c3cc[nH]c32)cc1 ZINC001156920691 805752790 /nfs/dbraw/zinc/75/27/90/805752790.db2.gz IKRPVWGWGIMHEL-UHFFFAOYSA-N 0 0 298.365 3.404 20 10 CGCDRN CCn1cccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157049599 805769693 /nfs/dbraw/zinc/76/96/93/805769693.db2.gz AAWNSOJROKRJFK-UHFFFAOYSA-N 0 0 294.354 3.297 20 10 CGCDRN CC(C)c1ccc2[nH]c(-c3cc(O)c(O)cc3O)nc2c1 ZINC001251355355 805886256 /nfs/dbraw/zinc/88/62/56/805886256.db2.gz HMVNDDKDVCXAGO-UHFFFAOYSA-N 0 0 284.315 3.470 20 10 CGCDRN Oc1ccc(CNc2ccc(-c3cccs3)nn2)cc1O ZINC001158995896 806028855 /nfs/dbraw/zinc/02/88/55/806028855.db2.gz QDUNPBLHZMMJKE-UHFFFAOYSA-N 0 0 299.355 3.228 20 10 CGCDRN Cc1cc2ncnc(NCc3ccc(O)c(O)c3)c2s1 ZINC001158997860 806029317 /nfs/dbraw/zinc/02/93/17/806029317.db2.gz RFSWGMSIRUMCCA-UHFFFAOYSA-N 0 0 287.344 3.023 20 10 CGCDRN Nc1ccc(Nc2nc3c(cccc3O)s2)cc1 ZINC001159113121 806044034 /nfs/dbraw/zinc/04/40/34/806044034.db2.gz LSYXMLLYQIKFAP-UHFFFAOYSA-N 0 0 257.318 3.328 20 10 CGCDRN Nc1ccc(Nc2c[nH]c3cc(=O)ccc-3c2)cc1 ZINC001159314281 806080651 /nfs/dbraw/zinc/08/06/51/806080651.db2.gz VBWJJNRIKKTVKF-UHFFFAOYSA-N 0 0 251.289 3.266 20 10 CGCDRN COC(=O)c1c(Cl)cccc1Nc1ccc(N)cc1 ZINC001159492291 806113519 /nfs/dbraw/zinc/11/35/19/806113519.db2.gz XJTZWRLIRGDCPI-UHFFFAOYSA-N 0 0 276.723 3.452 20 10 CGCDRN O=c1[nH]cnc2ccc(Nc3ccc4c(c3)CCCN4)cc21 ZINC001159516472 806117057 /nfs/dbraw/zinc/11/70/57/806117057.db2.gz UDEVHVFXGIZESR-UHFFFAOYSA-N 0 0 292.342 3.437 20 10 CGCDRN Nc1nc2cc(Nc3ccc(N)cc3)ccc2s1 ZINC001160005308 806212549 /nfs/dbraw/zinc/21/25/49/806212549.db2.gz HLLWVNIPYIIUJT-UHFFFAOYSA-N 0 0 256.334 3.204 20 10 CGCDRN Nc1ccc(Nc2cc(Br)ccc2N)cc1 ZINC001160278440 806248861 /nfs/dbraw/zinc/24/88/61/806248861.db2.gz LJXYKTVVRZCGJX-UHFFFAOYSA-N 0 0 278.153 3.357 20 10 CGCDRN Cc1cc(C)c(CNc2nccc(C)c2[N+](=O)[O-])c(O)c1 ZINC001160807761 806304557 /nfs/dbraw/zinc/30/45/57/806304557.db2.gz CCAVRPRYXFWELQ-UHFFFAOYSA-N 0 0 287.319 3.233 20 10 CGCDRN CSc1nccc(NCc2c(C)cc(C)cc2O)n1 ZINC001160808632 806305557 /nfs/dbraw/zinc/30/55/57/806305557.db2.gz WBJGQSRFFYPPTB-UHFFFAOYSA-N 0 0 275.377 3.133 20 10 CGCDRN COc1ncc(Cl)c(NCc2c(C)cc(C)cc2O)n1 ZINC001160811512 806305913 /nfs/dbraw/zinc/30/59/13/806305913.db2.gz PNBSPCHMQJWGKU-UHFFFAOYSA-N 0 0 293.754 3.073 20 10 CGCDRN COCc1ccc(NCc2c(C)cc(C)cc2O)nc1 ZINC001160811730 806307276 /nfs/dbraw/zinc/30/72/76/806307276.db2.gz VABXHDIVUGUESL-UHFFFAOYSA-N 0 0 272.348 3.163 20 10 CGCDRN CC1CCC(C)(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC001161266597 806362312 /nfs/dbraw/zinc/36/23/12/806362312.db2.gz JAKKMQAMRHXLKP-UHFFFAOYSA-N 0 0 295.354 3.183 20 10 CGCDRN CNc1ccccc1NCCc1ccc2c(c1)OCO2 ZINC001162087691 806504782 /nfs/dbraw/zinc/50/47/82/806504782.db2.gz QSFACHNEWNDVSW-UHFFFAOYSA-N 0 0 270.332 3.112 20 10 CGCDRN Nc1ccc(CNc2nc(Cl)nc3c2CSC3)cc1 ZINC001162783954 806664770 /nfs/dbraw/zinc/66/47/70/806664770.db2.gz DAXRBZJFTPDJCS-UHFFFAOYSA-N 0 0 292.795 3.071 20 10 CGCDRN Nc1ccc(CNc2nc(C3CCC3)nc3[nH]ccc32)cc1 ZINC001162789827 806667145 /nfs/dbraw/zinc/66/71/45/806667145.db2.gz MNWVTJADRXEKLX-UHFFFAOYSA-N 0 0 293.374 3.420 20 10 CGCDRN Cc1cc(N(C)Cc2ccccc2O)c([N+](=O)[O-])s1 ZINC001162838736 806673324 /nfs/dbraw/zinc/67/33/24/806673324.db2.gz SGEMPQTXTYRICZ-UHFFFAOYSA-N 0 0 278.333 3.307 20 10 CGCDRN Nc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000037902112 798879578 /nfs/dbraw/zinc/87/95/78/798879578.db2.gz MRICNZSDWVLJHR-UHFFFAOYSA-N 0 0 294.713 3.079 20 10 CGCDRN Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC000068984863 798912260 /nfs/dbraw/zinc/91/22/60/798912260.db2.gz PBGSUKHWJGLVKW-INIZCTEOSA-N 0 0 299.345 3.374 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)ccc1Cl ZINC000383676094 799407363 /nfs/dbraw/zinc/40/73/63/799407363.db2.gz XMKGVYUANDGYAI-UHFFFAOYSA-N 0 0 293.725 3.457 20 10 CGCDRN COc1ccc(CN[C@H](C)c2nnc(C)s2)cc1C ZINC000391816196 799479415 /nfs/dbraw/zinc/47/94/15/799479415.db2.gz QJKDNOVUTHNSKE-SNVBAGLBSA-N 0 0 277.393 3.014 20 10 CGCDRN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000391853747 799479505 /nfs/dbraw/zinc/47/95/05/799479505.db2.gz TZJLCXQXCZAYGX-QWRGUYRKSA-N 0 0 290.436 3.324 20 10 CGCDRN Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000397055446 799513851 /nfs/dbraw/zinc/51/38/51/799513851.db2.gz TUCFXJNNMQCIST-GFCCVEGCSA-N 0 0 274.339 3.394 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CS1 ZINC000397897078 799523247 /nfs/dbraw/zinc/52/32/47/799523247.db2.gz ROLIAEZVEZQSKX-DTWKUNHWSA-N 0 0 257.786 3.029 20 10 CGCDRN C[C@@H](N[C@H]1CCCC1(F)F)c1cc(F)ccc1O ZINC000398212081 799528466 /nfs/dbraw/zinc/52/84/66/799528466.db2.gz SRMAEKWIDGTGJD-PELKAZGASA-N 0 0 259.271 3.370 20 10 CGCDRN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000398580641 799532092 /nfs/dbraw/zinc/53/20/92/799532092.db2.gz ORDPQEJUWGSMTR-LLVKDONJSA-N 0 0 283.327 3.245 20 10 CGCDRN Cc1c(F)cccc1C(=O)N(C)Cc1ccccc1O ZINC000399645092 799540939 /nfs/dbraw/zinc/54/09/39/799540939.db2.gz NTURQTBDKXGGRS-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN CC[C@@H](CC(F)(F)F)C(=O)N(C)Cc1ccccc1O ZINC000402630903 799563321 /nfs/dbraw/zinc/56/33/21/799563321.db2.gz MONPVOFARMJJKL-JTQLQIEISA-N 0 0 289.297 3.329 20 10 CGCDRN C[C@H]1CC(NC(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC000588407270 799689012 /nfs/dbraw/zinc/68/90/12/799689012.db2.gz UALSQSSEXNQSHO-RJWJOQGISA-N 0 0 289.375 3.052 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(CCO)CCCCC1 ZINC000687282320 799738519 /nfs/dbraw/zinc/73/85/19/799738519.db2.gz BFPJJDMDNUCLOL-UHFFFAOYSA-N 0 0 283.799 3.221 20 10 CGCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])O1 ZINC000688900848 799758516 /nfs/dbraw/zinc/75/85/16/799758516.db2.gz PRTSAIXMPNJZGZ-JQWIXIFHSA-N 0 0 269.772 3.093 20 10 CGCDRN COc1cccc(NCc2cccc(C)c2O)c1F ZINC000690050806 799772682 /nfs/dbraw/zinc/77/26/82/799772682.db2.gz ZQLPJQSFUDRUEV-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000694066524 799820601 /nfs/dbraw/zinc/82/06/01/799820601.db2.gz VSZRTGKISHEDJM-LLVKDONJSA-N 0 0 276.767 3.161 20 10 CGCDRN CCC(F)(F)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000697581509 799846785 /nfs/dbraw/zinc/84/67/85/799846785.db2.gz ARVNXYLEBXDCBI-LLVKDONJSA-N 0 0 256.340 3.449 20 10 CGCDRN C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1cscn1 ZINC000697821811 799849959 /nfs/dbraw/zinc/84/99/59/799849959.db2.gz PDUAVZZJXUJTMI-IUCAKERBSA-N 0 0 266.341 3.400 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000708387236 799986293 /nfs/dbraw/zinc/98/62/93/799986293.db2.gz ZIEFPFHMMIAXDX-VIFPVBQESA-N 0 0 295.251 3.445 20 10 CGCDRN C[C@H](Cc1ccsc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534853 799991028 /nfs/dbraw/zinc/99/10/28/799991028.db2.gz FHVRFQZOUHMBEZ-SECBINFHSA-N 0 0 283.343 3.453 20 10 CGCDRN Cc1csc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000708549348 799992010 /nfs/dbraw/zinc/99/20/10/799992010.db2.gz PWSBZXGKDROJSH-QMMMGPOBSA-N 0 0 284.331 3.286 20 10 CGCDRN CS[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708553406 799992341 /nfs/dbraw/zinc/99/23/41/799992341.db2.gz BVVOFWMCSUHGFS-NEPJUHHUSA-N 0 0 287.375 3.434 20 10 CGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCCC1 ZINC000715719895 800144814 /nfs/dbraw/zinc/14/48/14/800144814.db2.gz VOPFVUKMGIIKPA-UHFFFAOYSA-N 0 0 288.160 3.326 20 10 CGCDRN [O-]c1c(C[NH2+]C2CCC=CCC2)ccc(F)c1F ZINC000718130697 800211848 /nfs/dbraw/zinc/21/18/48/800211848.db2.gz YACNMLAZQFITPU-UHFFFAOYSA-N 0 0 253.292 3.259 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NCc2ncc(Cl)s2)c1 ZINC000719430847 800239911 /nfs/dbraw/zinc/23/99/11/800239911.db2.gz OZPFBLAHMCQWCC-MRVPVSSYSA-N 0 0 298.795 3.362 20 10 CGCDRN COc1ccc(CNc2nc(C(C)(C)C)ns2)c(O)c1 ZINC001116877873 802423544 /nfs/dbraw/zinc/42/35/44/802423544.db2.gz XMYMQTBBFMHASK-UHFFFAOYSA-N 0 0 293.392 3.162 20 10 CGCDRN Cc1cscc1C(=O)Nc1c2nonc2ccc1Cl ZINC001117507575 802468596 /nfs/dbraw/zinc/46/85/96/802468596.db2.gz PFTSNDILUVYGFA-UHFFFAOYSA-N 0 0 293.735 3.498 20 10 CGCDRN O=C(N[C@H]1C=CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001119593875 802681263 /nfs/dbraw/zinc/68/12/63/802681263.db2.gz YEKBAWNIOBFWPB-JTQLQIEISA-N 0 0 289.356 3.151 20 10 CGCDRN CCc1ccc2c(c1)CCN2C(=O)C1=CC(=O)CS1 ZINC001119928742 802708352 /nfs/dbraw/zinc/70/83/52/802708352.db2.gz BSCWSOQJBOFDPZ-UHFFFAOYSA-N 0 0 273.357 3.219 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@]1(F)Cl ZINC001181667661 810065165 /nfs/dbraw/zinc/06/51/65/810065165.db2.gz YAIAPRXWVJMNJV-HIFRSBDPSA-N 0 0 298.789 3.026 20 10 CGCDRN COc1nccc(SC)c1-c1ccnc2c1ccn2C ZINC001243726826 802967879 /nfs/dbraw/zinc/96/78/79/802967879.db2.gz JHGUEOMFYNCEHB-UHFFFAOYSA-N 0 0 285.372 3.366 20 10 CGCDRN CCOc1ncc(-c2ccnc3c2ccn3C)cc1F ZINC001243776793 802995592 /nfs/dbraw/zinc/99/55/92/802995592.db2.gz RZKDVQYXJITSKR-UHFFFAOYSA-N 0 0 271.295 3.173 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccccc2C)c1 ZINC001131329254 803321261 /nfs/dbraw/zinc/32/12/61/803321261.db2.gz CAUNHXLMTKDILU-HJWRWDBZSA-N 0 0 266.344 3.375 20 10 CGCDRN CCn1ccc(-c2ccc(Cl)c3c[nH]nc32)cc1=O ZINC001244398091 803346359 /nfs/dbraw/zinc/34/63/59/803346359.db2.gz BWUFNIVRFBOXPT-UHFFFAOYSA-N 0 0 273.723 3.065 20 10 CGCDRN COC(=O)c1cc2ccc(-c3cncc(F)c3C)cc2n1C ZINC001244835964 803544381 /nfs/dbraw/zinc/54/43/81/803544381.db2.gz MQYQEDQLBIQPNM-UHFFFAOYSA-N 0 0 298.317 3.474 20 10 CGCDRN CCCNC(=S)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001244867176 803556662 /nfs/dbraw/zinc/55/66/62/803556662.db2.gz OYVJQGLJZAXOFY-UHFFFAOYSA-N 0 0 291.464 3.003 20 10 CGCDRN Cc1cc(Cl)ncc1-c1nc(C)nc2c1ccn2C ZINC001244915025 803575253 /nfs/dbraw/zinc/57/52/53/803575253.db2.gz NKVCJNLMZTVAHW-UHFFFAOYSA-N 0 0 272.739 3.301 20 10 CGCDRN Cn1ccc2c1ncnc2-c1c(Cl)ccnc1Cl ZINC001244935342 803582394 /nfs/dbraw/zinc/58/23/94/803582394.db2.gz ZBMNYEJEWAQBLO-UHFFFAOYSA-N 0 0 279.130 3.337 20 10 CGCDRN O=c1cc(-c2cncc(OCC3CC3)c2)ccn1CC1CC1 ZINC001245247734 803678578 /nfs/dbraw/zinc/67/85/78/803678578.db2.gz YGCNBPBJPLIVPZ-UHFFFAOYSA-N 0 0 296.370 3.109 20 10 CGCDRN C[C@]1(F)CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001137831501 803776783 /nfs/dbraw/zinc/77/67/83/803776783.db2.gz BWTUTRZFQGGRBW-AWEZNQCLSA-N 0 0 255.308 3.245 20 10 CGCDRN Oc1cccc(F)c1CN1CCCC[C@@H]1C(F)(F)F ZINC001137837617 803780340 /nfs/dbraw/zinc/78/03/40/803780340.db2.gz NWHWLQJKYSDJSI-GFCCVEGCSA-N 0 0 277.261 3.448 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001137837703 803781564 /nfs/dbraw/zinc/78/15/64/803781564.db2.gz RGALZPADDNBLNL-SECBINFHSA-N 0 0 259.271 3.008 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001138122665 803863518 /nfs/dbraw/zinc/86/35/18/803863518.db2.gz SPVXHYWAOXMNHV-NSHDSACASA-N 0 0 277.261 3.101 20 10 CGCDRN CC1(C)CCC2(CC[NH+](Cc3cccc(F)c3[O-])CC2)O1 ZINC001138129420 803864408 /nfs/dbraw/zinc/86/44/08/803864408.db2.gz BXNQDPJAYDUXJY-UHFFFAOYSA-N 0 0 293.382 3.455 20 10 CGCDRN Oc1c(F)cccc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001138122746 803864686 /nfs/dbraw/zinc/86/46/86/803864686.db2.gz ZUPDCSVOPOTOQX-LLVKDONJSA-N 0 0 277.261 3.101 20 10 CGCDRN Cc1cc2c(cccc2-c2ccc3nncn3c2)n1C ZINC001245665138 803894474 /nfs/dbraw/zinc/89/44/74/803894474.db2.gz LEKXTESOHADAEU-UHFFFAOYSA-N 0 0 262.316 3.196 20 10 CGCDRN COc1ccc(-c2nc(C)nc3c2ccn3C)c(Cl)n1 ZINC001245873584 804005870 /nfs/dbraw/zinc/00/58/70/804005870.db2.gz UGLGBNHUKITOFR-UHFFFAOYSA-N 0 0 288.738 3.001 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])C2(CC2)C1 ZINC001139687531 804254397 /nfs/dbraw/zinc/25/43/97/804254397.db2.gz OISBCFIDDDZUDH-VIFPVBQESA-N 0 0 253.292 3.045 20 10 CGCDRN CCN(Cc1ccccc1O)Cc1ccncc1Cl ZINC001139847705 804298468 /nfs/dbraw/zinc/29/84/68/804298468.db2.gz LVEHRZJRYLRWRU-UHFFFAOYSA-N 0 0 276.767 3.463 20 10 CGCDRN CCCOc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212364495 815011247 /nfs/dbraw/zinc/01/12/47/815011247.db2.gz RGAXOQOMSBVMJA-UHFFFAOYSA-N 0 0 288.332 3.044 20 10 CGCDRN CN(Cc1cc(F)ccc1O)Cc1cccc(F)c1F ZINC001140060195 804366459 /nfs/dbraw/zinc/36/64/59/804366459.db2.gz OVLRDAFVQKOTNF-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462845 804441133 /nfs/dbraw/zinc/44/11/33/804441133.db2.gz MHQJZGUBTLZTIR-CABZTGNLSA-N 0 0 257.736 3.226 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC[C@]1(C)O ZINC001140461809 804441471 /nfs/dbraw/zinc/44/14/71/804441471.db2.gz ULKKUORVNYFEJL-ABAIWWIYSA-N 0 0 283.799 3.029 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001140461226 804441866 /nfs/dbraw/zinc/44/18/66/804441866.db2.gz HMLLQDRFCPATJY-LBPRGKRZSA-N 0 0 257.736 3.370 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCc2ncsc2C1 ZINC001140464852 804443576 /nfs/dbraw/zinc/44/35/76/804443576.db2.gz CMRUDRQNSQFBDW-UHFFFAOYSA-N 0 0 280.780 3.060 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140582795 804465861 /nfs/dbraw/zinc/46/58/61/804465861.db2.gz NARKLNXIRQLFCH-GFCCVEGCSA-N 0 0 295.251 3.240 20 10 CGCDRN CCC(CC)[N@H+](CC)Cc1ccc(O)c(C)c1O ZINC001140749409 804504027 /nfs/dbraw/zinc/50/40/27/804504027.db2.gz YMGHZXAVVSBLDP-UHFFFAOYSA-N 0 0 251.370 3.417 20 10 CGCDRN Cc1c[nH]nc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256981865 807022803 /nfs/dbraw/zinc/02/28/03/807022803.db2.gz TXFXPCSZGUOUGM-UHFFFAOYSA-N 0 0 291.314 3.226 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001140850279 804533666 /nfs/dbraw/zinc/53/36/66/804533666.db2.gz HYLPWJDDPUYAAM-ZFWWWQNUSA-N 0 0 298.377 3.120 20 10 CGCDRN Oc1ccc(O)c(CN2Cc3ccccc3C(F)(F)C2)c1 ZINC001141155691 804600635 /nfs/dbraw/zinc/60/06/35/804600635.db2.gz FRRMHKRISKTPCF-UHFFFAOYSA-N 0 0 291.297 3.205 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)CCCC(C)C)c(O)c1O ZINC001141364870 804633984 /nfs/dbraw/zinc/63/39/84/804633984.db2.gz CAQKUFMVCBJPNT-LBPRGKRZSA-N 0 0 279.380 3.351 20 10 CGCDRN Cc1cncc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)c1 ZINC001247980945 804863348 /nfs/dbraw/zinc/86/33/48/804863348.db2.gz BBGHJSRUMFRZTB-HWKANZROSA-N 0 0 295.298 3.022 20 10 CGCDRN CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC001143703012 804885393 /nfs/dbraw/zinc/88/53/93/804885393.db2.gz ITJVVWNRSXQHJF-TZMCWYRMSA-N 0 0 291.391 3.495 20 10 CGCDRN CC(=O)OCc1cc(Nc2ccc(N)cc2)ccc1C ZINC001248583558 804957765 /nfs/dbraw/zinc/95/77/65/804957765.db2.gz XOGPMHHVPIAQIC-UHFFFAOYSA-N 0 0 270.332 3.384 20 10 CGCDRN CC(=O)CN(C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248881186 805029699 /nfs/dbraw/zinc/02/96/99/805029699.db2.gz SAAQQGJRZQLUDJ-UHFFFAOYSA-N 0 0 283.799 3.364 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3ccn(C)c3c2)c1 ZINC001147962525 805157234 /nfs/dbraw/zinc/15/72/34/805157234.db2.gz XCXHUMMRQUFLCI-UHFFFAOYSA-N 0 0 294.354 3.122 20 10 CGCDRN CCOc1cc(Nc2cccc(O)c2O)ccc1OC ZINC001212542271 815059376 /nfs/dbraw/zinc/05/93/76/815059376.db2.gz CVONQDZPULWOHQ-UHFFFAOYSA-N 0 0 275.304 3.249 20 10 CGCDRN CC(C)OC1(CNC(=O)C2=CC(=O)CS2)CCCCC1 ZINC001149713921 805241835 /nfs/dbraw/zinc/24/18/35/805241835.db2.gz RBDGVJNZGLCPRF-UHFFFAOYSA-N 0 0 297.420 3.311 20 10 CGCDRN O=C(NCc1ccccc1O)c1cccc2cc(O)ccc21 ZINC001150536154 805259929 /nfs/dbraw/zinc/25/99/29/805259929.db2.gz KMFGXNKKKLPZME-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN Cc1ccc(C(=O)NCC(C)(C)C2CCCC2)c(O)c1O ZINC001151110262 805283685 /nfs/dbraw/zinc/28/36/85/805283685.db2.gz IHSJGEXPCODWGY-UHFFFAOYSA-N 0 0 291.391 3.352 20 10 CGCDRN Nc1ccc(N(CCO)c2c(F)ccc(Cl)c2F)cc1 ZINC001250089589 805409802 /nfs/dbraw/zinc/40/98/02/805409802.db2.gz LPPQDCMCIGEFAX-UHFFFAOYSA-N 0 0 298.720 3.331 20 10 CGCDRN CCCc1nccnc1N(CC)Cc1ccccc1O ZINC001154890746 805505578 /nfs/dbraw/zinc/50/55/78/805505578.db2.gz MEYVKGZJYWNESA-UHFFFAOYSA-N 0 0 271.364 3.161 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(Cl)ccn1 ZINC001154889920 805505720 /nfs/dbraw/zinc/50/57/20/805505720.db2.gz LILPCPOOYXDBDL-UHFFFAOYSA-N 0 0 262.740 3.467 20 10 CGCDRN CCN(Cc1ccccc1O)c1nc(C)cc(Cl)n1 ZINC001154889674 805506082 /nfs/dbraw/zinc/50/60/82/805506082.db2.gz DGTYIYHMLPIQIA-UHFFFAOYSA-N 0 0 277.755 3.171 20 10 CGCDRN COc1cccc(N)c1N[C@H](C)CCCC(C)(C)O ZINC001168704703 807490382 /nfs/dbraw/zinc/49/03/82/807490382.db2.gz HVHNMUCDYIGXSX-LLVKDONJSA-N 0 0 266.385 3.019 20 10 CGCDRN Oc1ccc(CNc2ccc3ccncc3c2)cc1O ZINC001169993292 807735083 /nfs/dbraw/zinc/73/50/83/807735083.db2.gz RSXZJTRMKDIAIF-UHFFFAOYSA-N 0 0 266.300 3.258 20 10 CGCDRN Oc1ccc(CNc2cncc(-c3cccs3)n2)cc1O ZINC001169993272 807735341 /nfs/dbraw/zinc/73/53/41/807735341.db2.gz QTLJXMTVDQUGMP-UHFFFAOYSA-N 0 0 299.355 3.228 20 10 CGCDRN Oc1ccc(CNc2cc(Cl)ncc2Cl)cc1O ZINC001169996906 807736602 /nfs/dbraw/zinc/73/66/02/807736602.db2.gz LWBJMWWHXVADPZ-UHFFFAOYSA-N 0 0 285.130 3.412 20 10 CGCDRN CCN(CC)c1ccc(CNc2cccc3nncn32)cc1 ZINC001262356148 807852799 /nfs/dbraw/zinc/85/27/99/807852799.db2.gz SROQPIHKEJKDKF-UHFFFAOYSA-N 0 0 295.390 3.188 20 10 CGCDRN C/C(=C\C(=O)N(C)c1cc(C)ccc1C)c1cnccn1 ZINC001264740752 808089005 /nfs/dbraw/zinc/08/90/05/808089005.db2.gz DQBWOQVDSKVCHK-GXDHUFHOSA-N 0 0 281.359 3.160 20 10 CGCDRN CSc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001173813220 808684265 /nfs/dbraw/zinc/68/42/65/808684265.db2.gz ZLJBSGVCHLWAGS-UHFFFAOYSA-N 0 0 274.389 3.121 20 10 CGCDRN Oc1cccc(Nc2cccc3cnccc32)c1O ZINC001174137229 808884957 /nfs/dbraw/zinc/88/49/57/808884957.db2.gz VYVWZLIOFLEMEV-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN COc1c(F)ccc(F)c1Nc1cccc(O)c1O ZINC001174662409 809122108 /nfs/dbraw/zinc/12/21/08/809122108.db2.gz KTZIIVCHCZWAJX-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN CN(c1ccc(N)cc1)c1c(F)cc(F)cc1F ZINC001175146906 809288818 /nfs/dbraw/zinc/28/88/18/809288818.db2.gz ZTHWDGZMKXKEJP-UHFFFAOYSA-N 0 0 252.239 3.454 20 10 CGCDRN CCCCN(CCCC)C(=O)Cc1ccc(O)c(O)c1 ZINC001290935989 809418446 /nfs/dbraw/zinc/41/84/46/809418446.db2.gz CLCZBIACCYWSOJ-UHFFFAOYSA-N 0 0 279.380 3.069 20 10 CGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCC[C@@H]1C ZINC001292735444 809435793 /nfs/dbraw/zinc/43/57/93/809435793.db2.gz KFOAQMVWRHNEEK-GXTWGEPZSA-N 0 0 291.391 3.068 20 10 CGCDRN COc1ccc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)c(O)c1 ZINC001296968483 809510835 /nfs/dbraw/zinc/51/08/35/809510835.db2.gz PBRGSGYNJNXDBV-NEPJUHHUSA-N 0 0 293.407 3.335 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOC1CCCCCC1 ZINC001177874851 809828206 /nfs/dbraw/zinc/82/82/06/809828206.db2.gz AIPNDNIOJIPSRP-UHFFFAOYSA-N 0 0 299.361 3.499 20 10 CGCDRN CC[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001180198629 809982280 /nfs/dbraw/zinc/98/22/80/809982280.db2.gz GBPOHZUIQMCXTD-CYBMUJFWSA-N 0 0 263.381 3.331 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CCc2ccccc21 ZINC001180326610 809993749 /nfs/dbraw/zinc/99/37/49/809993749.db2.gz MTMJBTBXIJRYKY-UHFFFAOYSA-N 0 0 261.271 3.233 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC001180872745 810024841 /nfs/dbraw/zinc/02/48/41/810024841.db2.gz FXBNITVGZXJXCF-ZDUSSCGKSA-N 0 0 289.762 3.008 20 10 CGCDRN CC(C)(C)c1ccnc(C(=O)NCc2ccccc2O)c1 ZINC001184565439 810209378 /nfs/dbraw/zinc/20/93/78/810209378.db2.gz AEPNWHYNVHAMOY-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN COC(=O)c1cnc(Sc2nc3ccccc3o2)s1 ZINC001186556726 810347574 /nfs/dbraw/zinc/34/75/74/810347574.db2.gz KHBHYPLUYUSEAR-UHFFFAOYSA-N 0 0 292.341 3.222 20 10 CGCDRN Cc1cc(C)c(CNC(=O)NCC2CCCCC2)c(O)c1 ZINC001186894412 810372152 /nfs/dbraw/zinc/37/21/52/810372152.db2.gz UQYYFGZWMPDQGD-UHFFFAOYSA-N 0 0 290.407 3.389 20 10 CGCDRN Cc1cccc(CNC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001191017312 810664898 /nfs/dbraw/zinc/66/48/98/810664898.db2.gz RUXIBZZKSCEYFO-UHFFFAOYSA-N 0 0 298.386 3.317 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)NC1CC1 ZINC001191510622 810722016 /nfs/dbraw/zinc/72/20/16/810722016.db2.gz MZOUDYRYXKAHAW-OAHLLOKOSA-N 0 0 288.391 3.094 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)OCC(C)C ZINC001193832175 810963725 /nfs/dbraw/zinc/96/37/25/810963725.db2.gz XKCOMXXSJLQIHO-UHFFFAOYSA-N 0 0 278.396 3.367 20 10 CGCDRN Cc1cccc(NC(=S)NCc2cc(F)ccn2)c1 ZINC001198709531 811539200 /nfs/dbraw/zinc/53/92/00/811539200.db2.gz VVDOHCBLCMLJBD-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CC[C@H](C)CNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001200282417 811669542 /nfs/dbraw/zinc/66/95/42/811669542.db2.gz XOMAFASDXSCFMW-STQMWFEESA-N 0 0 293.480 3.324 20 10 CGCDRN Cc1ccc(CN(C)C(=S)NCc2ccco2)cc1C ZINC001200564969 811711885 /nfs/dbraw/zinc/71/18/85/811711885.db2.gz PZPINVKHKRVAQL-UHFFFAOYSA-N 0 0 288.416 3.403 20 10 CGCDRN Cc1cccc(CNC(=S)Nc2ccccc2)c1O ZINC001200848779 811756225 /nfs/dbraw/zinc/75/62/25/811756225.db2.gz YRFLKGGTMYTCGS-UHFFFAOYSA-N 0 0 272.373 3.187 20 10 CGCDRN CN(C)c1cc(F)c(CNc2cccnc2)cc1F ZINC001200912400 811764909 /nfs/dbraw/zinc/76/49/09/811764909.db2.gz ZRAPYAOHYKLYIS-UHFFFAOYSA-N 0 0 263.291 3.038 20 10 CGCDRN Cc1cccnc1CNC(=S)Nc1ccc(F)c(C)c1 ZINC001201025193 811778419 /nfs/dbraw/zinc/77/84/19/811778419.db2.gz BGBYEDMVDBMRBR-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN Oc1cccc(-c2nc(-c3ncccc3C3CC3)no2)c1O ZINC001215145827 815489054 /nfs/dbraw/zinc/48/90/54/815489054.db2.gz LOHMBRSJLPNHOK-UHFFFAOYSA-N 0 0 295.298 3.087 20 10 CGCDRN Cc1cccc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1C ZINC001215327744 815507059 /nfs/dbraw/zinc/50/70/59/815507059.db2.gz QQYQKRZNQRDKDW-UHFFFAOYSA-N 0 0 298.298 3.137 20 10 CGCDRN COc1ccc(CN2CCCC[C@H]2C(F)(F)F)c(O)c1 ZINC001203627779 812410796 /nfs/dbraw/zinc/41/07/96/812410796.db2.gz OLKXPFYACUVWFG-ZDUSSCGKSA-N 0 0 289.297 3.318 20 10 CGCDRN Oc1ccc(CN2CCCC[C@@H]2C(F)(F)F)cc1O ZINC001203879103 812478597 /nfs/dbraw/zinc/47/85/97/812478597.db2.gz LSFBYJLZBGMAGQ-GFCCVEGCSA-N 0 0 275.270 3.015 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@@H](C)O1 ZINC001204899891 812769038 /nfs/dbraw/zinc/76/90/38/812769038.db2.gz UMFPWBOIJLGSIK-DGCLKSJQSA-N 0 0 283.799 3.353 20 10 CGCDRN C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205063772 812843403 /nfs/dbraw/zinc/84/34/03/812843403.db2.gz AFKKSGQBQXZKGY-KWQFWETISA-N 0 0 289.206 3.011 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2c3c(nn2C)CCC3)cc1 ZINC001205406003 812978316 /nfs/dbraw/zinc/97/83/16/812978316.db2.gz PEPHWADBPGFHPD-UHFFFAOYSA-N 0 0 299.418 3.332 20 10 CGCDRN CCn1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001205408884 812980172 /nfs/dbraw/zinc/98/01/72/812980172.db2.gz DFNJCFHGSNTJFC-UHFFFAOYSA-N 0 0 280.318 3.124 20 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COc1nccc(Nc2ccc3c(c2)OCCN3)c1Cl ZINC001209705264 814116707 /nfs/dbraw/zinc/11/67/07/814116707.db2.gz PMSSFBIGXYSKNI-UHFFFAOYSA-N 0 0 291.738 3.292 20 10 CGCDRN C[C@H](O)c1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209728983 814122752 /nfs/dbraw/zinc/12/27/52/814122752.db2.gz YHEWSDJYRFSGLC-NSHDSACASA-N 0 0 270.332 3.288 20 10 CGCDRN CCOC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209767852 814134617 /nfs/dbraw/zinc/13/46/17/814134617.db2.gz PZFNIHNRRGJJLS-UHFFFAOYSA-N 0 0 298.342 3.411 20 10 CGCDRN Cc1c(Nc2ccc3c(c2)OCCN3)ccc2c1OCCO2 ZINC001209792047 814141603 /nfs/dbraw/zinc/14/16/03/814141603.db2.gz IVTOXLBSSITBBC-UHFFFAOYSA-N 0 0 298.342 3.314 20 10 CGCDRN COCOc1ccc(N(C)c2ccc(N)cc2)c(C)c1 ZINC001210494722 814488009 /nfs/dbraw/zinc/48/80/09/814488009.db2.gz OJUJUOSYYRGAQU-UHFFFAOYSA-N 0 0 272.348 3.328 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccccc1-n1cccn1 ZINC001210733134 814601037 /nfs/dbraw/zinc/60/10/37/814601037.db2.gz AWDAQKVRKBLZGQ-UHFFFAOYSA-N 0 0 264.332 3.222 20 10 CGCDRN COCOc1ccccc1N(C)c1ccc(N)cc1 ZINC001211568932 814910064 /nfs/dbraw/zinc/91/00/64/814910064.db2.gz XMDXLNYHFNDUOD-UHFFFAOYSA-N 0 0 258.321 3.019 20 10 CGCDRN CNC(=O)c1ccc(N(C)c2ccc(N)cc2)c(Cl)c1 ZINC001215886785 815623314 /nfs/dbraw/zinc/62/33/14/815623314.db2.gz UKQQVSIJHQMPPG-UHFFFAOYSA-N 0 0 289.766 3.050 20 10 CGCDRN CCc1[nH]nc2ncc(-c3ccnc4c3ccn4C)cc12 ZINC001242824583 823145033 /nfs/dbraw/zinc/14/50/33/823145033.db2.gz LAJZKJPQSIFYEQ-UHFFFAOYSA-N 0 0 277.331 3.074 20 10 CGCDRN CCCOc1ccc(N(C)c2ccc(N)cc2)cn1 ZINC001216587930 815866488 /nfs/dbraw/zinc/86/64/88/815866488.db2.gz FHNKZHVJYCRLNM-UHFFFAOYSA-N 0 0 257.337 3.221 20 10 CGCDRN CCn1ncc2cc(Nc3ccc(N)cc3)ccc21 ZINC001216590469 815868821 /nfs/dbraw/zinc/86/88/21/815868821.db2.gz IGRJXHHRFRHDCI-UHFFFAOYSA-N 0 0 252.321 3.382 20 10 CGCDRN Oc1cccc(Nc2cncc(OCC3CC3)c2)c1O ZINC001216599123 815871912 /nfs/dbraw/zinc/87/19/12/815871912.db2.gz HRGDOJXGENDOEA-UHFFFAOYSA-N 0 0 272.304 3.025 20 10 CGCDRN N[C@@H](CC1CC1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217713929 815948167 /nfs/dbraw/zinc/94/81/67/815948167.db2.gz GEGQVJIHSVUJQQ-HNNXBMFYSA-N 0 0 294.358 3.327 20 10 CGCDRN O=C1C=CC(=NNc2ccccn2)C(O[C@H]2C[C@H](O)C2)=C1 ZINC001218358966 816178581 /nfs/dbraw/zinc/17/85/81/816178581.db2.gz DGLGPCLVKAIJOC-WFMRDXOLSA-N 0 0 285.303 3.105 20 10 CGCDRN Nc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)n2)cc1 ZINC001218537943 816247953 /nfs/dbraw/zinc/24/79/53/816247953.db2.gz NDAXFUBIHGPVMS-UHFFFAOYSA-N 0 0 296.157 3.152 20 10 CGCDRN CCCCCCNC(=O)NCc1cc(Cl)ccc1O ZINC001220545208 816293568 /nfs/dbraw/zinc/29/35/68/816293568.db2.gz QJQDFMAESUYYFW-UHFFFAOYSA-N 0 0 284.787 3.425 20 10 CGCDRN Cn1cncc1-c1nccc2c1ccn2Cc1ccccc1 ZINC001243064703 823233552 /nfs/dbraw/zinc/23/35/52/823233552.db2.gz HSFRZHUYYGSHDT-UHFFFAOYSA-N 0 0 288.354 3.485 20 10 CGCDRN CCOC(=O)[C@H]1CC[C@H](Oc2ccc(N(C)C)cc2)CC1 ZINC001227939055 817759129 /nfs/dbraw/zinc/75/91/29/817759129.db2.gz JTULQFJXCGFJSZ-CTYIDZIISA-N 0 0 291.391 3.253 20 10 CGCDRN CN(C)c1ccc(O[C@@H]2CCc3cccnc32)cc1 ZINC001227939577 817759239 /nfs/dbraw/zinc/75/92/39/817759239.db2.gz ZWLZMDZJQPDTPE-OAHLLOKOSA-N 0 0 254.333 3.214 20 10 CGCDRN CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231448559 818100125 /nfs/dbraw/zinc/10/01/25/818100125.db2.gz HXFCEJXEROBTFF-UHFFFAOYSA-N 0 0 285.343 3.113 20 10 CGCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(O)c1 ZINC001231452275 818102728 /nfs/dbraw/zinc/10/27/28/818102728.db2.gz JUZXBWJRXCHWAY-INIZCTEOSA-N 0 0 297.354 3.428 20 10 CGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001231453600 818102763 /nfs/dbraw/zinc/10/27/63/818102763.db2.gz IUFQRHXYNYNBKA-TZMCWYRMSA-N 0 0 289.375 3.103 20 10 CGCDRN CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)CCC1=O ZINC001231590065 818129214 /nfs/dbraw/zinc/12/92/14/818129214.db2.gz HVYGICMRZOAFBC-UHFFFAOYSA-N 0 0 283.371 3.346 20 10 CGCDRN CC[N@H+](Cc1ccc(COC)o1)Cc1ccccc1O ZINC001231693474 818158487 /nfs/dbraw/zinc/15/84/87/818158487.db2.gz MEBOXFNEJZQYOL-UHFFFAOYSA-N 0 0 275.348 3.154 20 10 CGCDRN Cc1cc(C)c(CN2CC[C@H](C)C(F)(F)C2)c(O)c1 ZINC001231843414 818186052 /nfs/dbraw/zinc/18/60/52/818186052.db2.gz YLZNJBJAFHZULU-LBPRGKRZSA-N 0 0 269.335 3.486 20 10 CGCDRN CCN(CC(=O)OC(C)(C)C)Cc1c(C)cc(C)cc1O ZINC001231846436 818187242 /nfs/dbraw/zinc/18/72/42/818187242.db2.gz LXIJVOKMFKQQSV-UHFFFAOYSA-N 0 0 293.407 3.173 20 10 CGCDRN Cc1nc2c(s1)CN(Cc1c(C)cc(C)cc1O)C2 ZINC001231850411 818188320 /nfs/dbraw/zinc/18/83/20/818188320.db2.gz OWZUGUNMYVZUDO-UHFFFAOYSA-N 0 0 274.389 3.290 20 10 CGCDRN COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001231854036 818188382 /nfs/dbraw/zinc/18/83/82/818188382.db2.gz WNSIXIXWTFSVGG-ZDUSSCGKSA-N 0 0 298.377 3.238 20 10 CGCDRN COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001231854035 818188679 /nfs/dbraw/zinc/18/86/79/818188679.db2.gz WNSIXIXWTFSVGG-CYBMUJFWSA-N 0 0 298.377 3.238 20 10 CGCDRN Cc1cc(O)c(CN2CCCC(=O)[C@@H](C)C2)cc1Cl ZINC001231869750 818194223 /nfs/dbraw/zinc/19/42/23/818194223.db2.gz XNMIESXSIZRASM-NSHDSACASA-N 0 0 281.783 3.155 20 10 CGCDRN CN1C[C@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)[C@@H]2C1 ZINC001231881564 818199816 /nfs/dbraw/zinc/19/98/16/818199816.db2.gz XAKFIVVCNWCTIG-CRAIPNDOSA-N 0 0 296.414 3.071 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+](CC1CC1)C1CC1 ZINC001231914896 818211253 /nfs/dbraw/zinc/21/12/53/818211253.db2.gz VNDCETDOXQHKLZ-UHFFFAOYSA-N 0 0 251.757 3.420 20 10 CGCDRN CCc1csc(CN(C)Cc2ccccc2O)n1 ZINC001232474227 818363174 /nfs/dbraw/zinc/36/31/74/818363174.db2.gz SNHYEZGNMUKNBG-UHFFFAOYSA-N 0 0 262.378 3.043 20 10 CGCDRN [O-]c1c(C[N@H+](C2CCC2)C2CCOCC2)ccc(F)c1F ZINC001233080612 818520152 /nfs/dbraw/zinc/52/01/52/818520152.db2.gz XWBFWBMRQVCJPQ-UHFFFAOYSA-N 0 0 297.345 3.204 20 10 CGCDRN Oc1ccc(F)c(F)c1CN1CCOC2(CCCCC2)C1 ZINC001233335823 818588739 /nfs/dbraw/zinc/58/87/39/818588739.db2.gz NFPPRZAQBRDSJT-UHFFFAOYSA-N 0 0 297.345 3.206 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCCO1 ZINC001233415782 818613241 /nfs/dbraw/zinc/61/32/41/818613241.db2.gz IQJPSXPZRJWLBX-SNVBAGLBSA-N 0 0 289.297 3.022 20 10 CGCDRN CC(C)OC1CN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233419348 818615162 /nfs/dbraw/zinc/61/51/62/818615162.db2.gz UONAVZRKKZJBOK-UHFFFAOYSA-N 0 0 289.297 3.020 20 10 CGCDRN C[N@H+](Cc1ccccn1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416182 818615300 /nfs/dbraw/zinc/61/53/00/818615300.db2.gz YSFICUCAHOJGEY-UHFFFAOYSA-N 0 0 296.292 3.438 20 10 CGCDRN CN(Cc1ccon1)Cc1cccc(C(F)(F)F)c1O ZINC001233418524 818615438 /nfs/dbraw/zinc/61/54/38/818615438.db2.gz KLVQMFLYCHMEHS-UHFFFAOYSA-N 0 0 286.253 3.031 20 10 CGCDRN Oc1cc(C(F)(F)F)ccc1CN1C[C@@H](F)C[C@H]1CF ZINC001233451907 818623145 /nfs/dbraw/zinc/62/31/45/818623145.db2.gz CYWGYQTYKKIGSS-QWRGUYRKSA-N 0 0 295.251 3.293 20 10 CGCDRN Oc1c(C[NH+]2C3CCC2CC3)cccc1OC(F)(F)F ZINC001233761615 818699252 /nfs/dbraw/zinc/69/92/52/818699252.db2.gz WQJXDSSUBYYGTC-UHFFFAOYSA-N 0 0 287.281 3.418 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ccccc1 ZINC001234474636 818862760 /nfs/dbraw/zinc/86/27/60/818862760.db2.gz UXWRHFSUTPFLLU-NSHDSACASA-N 0 0 272.300 3.440 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235181087 819026339 /nfs/dbraw/zinc/02/63/39/819026339.db2.gz XUBUVHXKSMLOTJ-MRXNPFEDSA-N 0 0 294.826 3.154 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300398 819064256 /nfs/dbraw/zinc/06/42/56/819064256.db2.gz YJJQWMXEIMZMGX-MRVPVSSYSA-N 0 0 288.160 3.136 20 10 CGCDRN CC(C)(C)c1ccc(CN2CCCC(=O)[C@H](F)C2)c(O)c1 ZINC001235674515 819135344 /nfs/dbraw/zinc/13/53/44/819135344.db2.gz GPBKZAPOYWZORX-CQSZACIVSA-N 0 0 293.382 3.193 20 10 CGCDRN CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681160 819140304 /nfs/dbraw/zinc/14/03/04/819140304.db2.gz YVJQDLWZYDPULF-CQSZACIVSA-N 0 0 289.419 3.491 20 10 CGCDRN COc1nccc(CN(C)Cc2ccccc2O)c1Cl ZINC001235839334 819181787 /nfs/dbraw/zinc/18/17/87/819181787.db2.gz KZIBGIPTCYFPPU-UHFFFAOYSA-N 0 0 292.766 3.081 20 10 CGCDRN Cn1ccc2ccc(-c3cccnc3N3CCOCC3)cc21 ZINC001243464101 823411960 /nfs/dbraw/zinc/41/19/60/823411960.db2.gz LNLQGRPGRQLGQD-UHFFFAOYSA-N 0 0 293.370 3.077 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001236671751 819567795 /nfs/dbraw/zinc/56/77/95/819567795.db2.gz XVACNRZQWGAJIE-GXFFZTMASA-N 0 0 296.208 3.447 20 10 CGCDRN COc1cc(O)c(CN2CCC[C@@](C)(F)C2)c(Cl)c1 ZINC001236797181 819596684 /nfs/dbraw/zinc/59/66/84/819596684.db2.gz CNJWGXAHDNOHHX-CQSZACIVSA-N 0 0 287.762 3.378 20 10 CGCDRN COc1cc(O)c(CN2CCCC[C@H](F)C2)c(Cl)c1 ZINC001236797485 819598195 /nfs/dbraw/zinc/59/81/95/819598195.db2.gz FOUBDQOFSCCJTN-JTQLQIEISA-N 0 0 287.762 3.378 20 10 CGCDRN CC[N@H+](Cc1ccc(OC)c(Cl)c1[O-])C1CCOCC1 ZINC001236812470 819604801 /nfs/dbraw/zinc/60/48/01/819604801.db2.gz WYAXKRQMFTYQDM-UHFFFAOYSA-N 0 0 299.798 3.055 20 10 CGCDRN CCCO[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236813138 819605117 /nfs/dbraw/zinc/60/51/17/819605117.db2.gz KAKQOSBWUUEDGR-LBPRGKRZSA-N 0 0 299.798 3.055 20 10 CGCDRN COc1cc(C[N@H+](C)Cc2ccccc2O)c(F)cc1F ZINC001236831116 819611940 /nfs/dbraw/zinc/61/19/40/819611940.db2.gz NKNONDSLSRHPLX-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN Nc1ccc(Cl)cc1-c1ccn(CC2CC2)c(=O)c1 ZINC001243486418 823419520 /nfs/dbraw/zinc/41/95/20/823419520.db2.gz SBHFAPLBVFCHHT-UHFFFAOYSA-N 0 0 274.751 3.161 20 10 CGCDRN CCOc1ccc(C[N@H+](CC)Cc2cccnc2)c(O)c1 ZINC001237042589 819648022 /nfs/dbraw/zinc/64/80/22/819648022.db2.gz YLXZUGFMLKEQRJ-UHFFFAOYSA-N 0 0 286.375 3.208 20 10 CGCDRN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084822 819663608 /nfs/dbraw/zinc/66/36/08/819663608.db2.gz OAJHCQQAZIRYRA-DTWKUNHWSA-N 0 0 290.190 3.044 20 10 CGCDRN Cc1cc(Cl)cc(CN2Cc3ccncc3C2)c1O ZINC001237687584 819805604 /nfs/dbraw/zinc/80/56/04/819805604.db2.gz NHXZTTJDMYDNMX-UHFFFAOYSA-N 0 0 274.751 3.265 20 10 CGCDRN Cc1cc(F)cc(CN2CCC[C@H](F)C(F)(F)C2)c1O ZINC001238055580 819918932 /nfs/dbraw/zinc/91/89/32/819918932.db2.gz AKORWAQXBUGQQW-LBPRGKRZSA-N 0 0 291.288 3.409 20 10 CGCDRN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC001238062800 819920976 /nfs/dbraw/zinc/92/09/76/819920976.db2.gz RPYWSLBMNRGNQF-CQSZACIVSA-N 0 0 286.350 3.224 20 10 CGCDRN Cc1cc(F)cc(C[N@@H+](CC2CC2)C(C)C)c1O ZINC001238062439 819921614 /nfs/dbraw/zinc/92/16/14/819921614.db2.gz PUHSYWJJHBFJLF-UHFFFAOYSA-N 0 0 251.345 3.460 20 10 CGCDRN Cc1cc(-c2nccn2C)c(-c2ccn(C(C)C)c2)nn1 ZINC001239067364 820212539 /nfs/dbraw/zinc/21/25/39/820212539.db2.gz NOBROEYVTANJBX-UHFFFAOYSA-N 0 0 281.363 3.235 20 10 CGCDRN CC(C)CCn1cc(-c2ccnc3c2ccn3C)cn1 ZINC001240420771 821042578 /nfs/dbraw/zinc/04/25/78/821042578.db2.gz DQHBTHMQZFMSTN-UHFFFAOYSA-N 0 0 268.364 3.483 20 10 CGCDRN Cc1nccn1-c1cncc(-c2ccc3ccn(C)c3c2)n1 ZINC001240572346 821158693 /nfs/dbraw/zinc/15/86/93/821158693.db2.gz UJOWHZVWNFHCQG-UHFFFAOYSA-N 0 0 289.342 3.129 20 10 CGCDRN COc1ncc(F)cc1-c1ccc2ccn(C)c2c1 ZINC001240574409 821159928 /nfs/dbraw/zinc/15/99/28/821159928.db2.gz KFPYPMNAJIGHDK-UHFFFAOYSA-N 0 0 256.280 3.388 20 10 CGCDRN Cn1ccc2c1cccc2-c1cncc(C(C)(C)O)c1 ZINC001240667562 821229395 /nfs/dbraw/zinc/22/93/95/821229395.db2.gz AAPLNTUOZSYQTO-UHFFFAOYSA-N 0 0 266.344 3.468 20 10 CGCDRN Cc1cncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c1 ZINC001240804576 821346192 /nfs/dbraw/zinc/34/61/92/821346192.db2.gz XURORYKXQKSXCW-UHFFFAOYSA-N 0 0 294.329 3.406 20 10 CGCDRN Cc1cc2c(cccc2-c2cnn3cccnc23)n1C ZINC001240943811 821431805 /nfs/dbraw/zinc/43/18/05/821431805.db2.gz YMYMNAPGLYEFBO-UHFFFAOYSA-N 0 0 262.316 3.196 20 10 CGCDRN Cn1ccc2c1cccc2-c1ncnc2ccn(C)c21 ZINC001241819206 822161070 /nfs/dbraw/zinc/16/10/70/822161070.db2.gz FIULPJNIQYJNQF-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)C1(CC1)C(=O)N2 ZINC001241823267 822163973 /nfs/dbraw/zinc/16/39/73/822163973.db2.gz LSWHHZFGAXVUJW-UHFFFAOYSA-N 0 0 289.338 3.224 20 10 CGCDRN CN(C)c1cncc(-c2cccc3c2ccn3C)c1 ZINC001241823997 822164930 /nfs/dbraw/zinc/16/49/30/822164930.db2.gz INAMMWYWQPIAGT-UHFFFAOYSA-N 0 0 251.333 3.306 20 10 CGCDRN Cn1ccc2c1cccc2-c1cccc2c1NC(=O)CO2 ZINC001241824739 822165045 /nfs/dbraw/zinc/16/50/45/822165045.db2.gz WPNZIGATYXNQIO-UHFFFAOYSA-N 0 0 278.311 3.176 20 10 CGCDRN CN(C)c1ccccc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001242194557 822906479 /nfs/dbraw/zinc/90/64/79/822906479.db2.gz PBYPLIKDKNXAJL-UHFFFAOYSA-N 0 0 278.355 3.272 20 10 CGCDRN C[C@@H]1C[C@H]1c1nnc(NCc2ccc(N3CCCC3)cc2)o1 ZINC001348526206 936925227 /nfs/dbraw/zinc/92/52/27/936925227.db2.gz WUSQDGIBPXURLZ-IUODEOHRSA-N 0 0 298.390 3.405 20 10 CGCDRN CCCCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC001351737470 937023497 /nfs/dbraw/zinc/02/34/97/937023497.db2.gz CDMVAXTZJRPDCG-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN CC[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001353255650 937061778 /nfs/dbraw/zinc/06/17/78/937061778.db2.gz VJIRJIJDBJFXKW-HNNXBMFYSA-N 0 0 297.402 3.262 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001474608988 937207368 /nfs/dbraw/zinc/20/73/68/937207368.db2.gz MJKLISPBEOUUBA-UHFFFAOYSA-N 0 0 299.704 3.319 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1ccc(C)cc1 ZINC001434974919 937251491 /nfs/dbraw/zinc/25/14/91/937251491.db2.gz HFLDNINJELMTFT-KAMYIIQDSA-N 0 0 266.344 3.456 20 10 CGCDRN CCCC[C@@H](NCc1cc(Cl)c(C)cc1O)C(=O)OC ZINC001308670137 928537666 /nfs/dbraw/zinc/53/76/66/928537666.db2.gz NPQQMFKKCVUQQZ-CYBMUJFWSA-N 0 0 299.798 3.175 20 10 CGCDRN CC(=O)Nc1cc(NCc2ccccc2O)ccc1F ZINC000037768190 928692245 /nfs/dbraw/zinc/69/22/45/928692245.db2.gz PALMOUCELMRZKK-UHFFFAOYSA-N 0 0 274.295 3.102 20 10 CGCDRN Cc1ccc(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c(O)c1O ZINC001445325644 937356820 /nfs/dbraw/zinc/35/68/20/937356820.db2.gz JMOAVHBSDZDGJH-AAEUAGOBSA-N 0 0 291.391 3.351 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1Cc2ccc(Cl)cc21 ZINC001445970549 937360583 /nfs/dbraw/zinc/36/05/83/937360583.db2.gz KGIFYPRXAQBSJN-AWEZNQCLSA-N 0 0 287.746 3.002 20 10 CGCDRN Cc1c2ccccc2oc1C(=O)NCc1ccc(O)cc1O ZINC001451765250 937392079 /nfs/dbraw/zinc/39/20/79/937392079.db2.gz GHTLLJBIZZOHKI-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN O=C(Nc1ccc2c(c1)CCCC2=O)C1=CC(=O)CS1 ZINC001452163295 937394771 /nfs/dbraw/zinc/39/47/71/937394771.db2.gz PQWOCPHCUMHSDS-UHFFFAOYSA-N 0 0 287.340 3.225 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1sccc1Cl ZINC001456029302 937424593 /nfs/dbraw/zinc/42/45/93/937424593.db2.gz MHLXJNZTKVJWDH-UHFFFAOYSA-N 0 0 285.727 3.176 20 10 CGCDRN COc1cccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC001461625767 937589472 /nfs/dbraw/zinc/58/94/72/937589472.db2.gz FICKTBCMWXRXAU-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN C=C/C=C/CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001461722581 937592769 /nfs/dbraw/zinc/59/27/69/937592769.db2.gz OFHUFZAJORWVMF-ONEGZZNKSA-N 0 0 255.720 3.407 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1cc(C(F)F)ncn1 ZINC001307161035 932771861 /nfs/dbraw/zinc/77/18/61/932771861.db2.gz OTVJXWOXAYSJCO-UHFFFAOYSA-N 0 0 285.681 3.385 20 10 CGCDRN Oc1ccc(O)c(CNc2nc3ccc(F)cc3s2)c1 ZINC001307200506 932778504 /nfs/dbraw/zinc/77/85/04/932778504.db2.gz BAZFMVQURNESBJ-UHFFFAOYSA-N 0 0 290.319 3.459 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCc1c(O)cccc1O ZINC001304053860 932841251 /nfs/dbraw/zinc/84/12/51/932841251.db2.gz UJSMNIBIODZKDM-GFCCVEGCSA-N 0 0 279.380 3.176 20 10 CGCDRN CC(C)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090166 932842999 /nfs/dbraw/zinc/84/29/99/932842999.db2.gz YUUUKJFJRVCKNJ-UHFFFAOYSA-N 0 0 257.333 3.208 20 10 CGCDRN Oc1cccc2c1CN(c1ncccc1Br)C2 ZINC001307193234 932926937 /nfs/dbraw/zinc/92/69/37/932926937.db2.gz XYXSYIYCEOAXTN-UHFFFAOYSA-N 0 0 291.148 3.070 20 10 CGCDRN COC(=O)c1cnc(SCCc2cccc(F)c2)s1 ZINC001307348141 932943156 /nfs/dbraw/zinc/94/31/56/932943156.db2.gz HVZVOWPQXONXQN-UHFFFAOYSA-N 0 0 297.376 3.404 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1C[C@@]12CCOC2 ZINC001307592335 932973087 /nfs/dbraw/zinc/97/30/87/932973087.db2.gz ZNMYZXYKXQSGHB-MAUKXSAKSA-N 0 0 287.403 3.265 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)c(OC)c1 ZINC001307597793 932974853 /nfs/dbraw/zinc/97/48/53/932974853.db2.gz LSWLECLKDNSNLW-DUVNUKRYSA-N 0 0 291.391 3.098 20 10 CGCDRN C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308716147 933164408 /nfs/dbraw/zinc/16/44/08/933164408.db2.gz QFLHFXTUIOUVNE-ZJUUUORDSA-N 0 0 255.308 3.196 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CC(C)C)cc12 ZINC001463905395 937682759 /nfs/dbraw/zinc/68/27/59/937682759.db2.gz NVGPESWJNUXBNQ-UHFFFAOYSA-N 0 0 295.404 3.160 20 10 CGCDRN Cc1ccc(C(=O)NCC[C@H]2CCCC[C@@H]2C)c(O)c1O ZINC001465151467 937698550 /nfs/dbraw/zinc/69/85/50/937698550.db2.gz KRSXUJKDOMILHR-WCQYABFASA-N 0 0 291.391 3.352 20 10 CGCDRN Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001466554365 937710118 /nfs/dbraw/zinc/71/01/18/937710118.db2.gz GCMLRNHGWOLLQA-CYBMUJFWSA-N 0 0 299.370 3.135 20 10 CGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001470444874 937753104 /nfs/dbraw/zinc/75/31/04/937753104.db2.gz SUFOBRNJSMBWSI-DOMZBBRYSA-N 0 0 296.798 3.279 20 10 CGCDRN CCOCc1nnc(-c2cc(C)n(-c3ccccn3)c2C)o1 ZINC001323012924 934357467 /nfs/dbraw/zinc/35/74/67/934357467.db2.gz HGLSYYPHMVNPOO-UHFFFAOYSA-N 0 0 298.346 3.076 20 10 CGCDRN CC(C)(C)c1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001472063326 937771897 /nfs/dbraw/zinc/77/18/97/937771897.db2.gz HNBWEHJEVLYQIE-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN CC1(C)C[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085413 937772237 /nfs/dbraw/zinc/77/22/37/937772237.db2.gz SGSIGIXMGMFTIO-CQSZACIVSA-N 0 0 269.344 3.208 20 10 CGCDRN CC[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001472086100 937772362 /nfs/dbraw/zinc/77/23/62/937772362.db2.gz LVNPUPIUFQUKDF-NSHDSACASA-N 0 0 257.333 3.208 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)sc2C)c(OC)c1 ZINC001324336585 934489597 /nfs/dbraw/zinc/48/95/97/934489597.db2.gz WNBPCNDTFGGJAI-UHFFFAOYSA-N 0 0 292.404 3.414 20 10 CGCDRN Fc1ccc(NNC(=S)Nc2cccc(F)c2F)cc1 ZINC001324367771 934492429 /nfs/dbraw/zinc/49/24/29/934492429.db2.gz HLUYKNMRGXWWAA-UHFFFAOYSA-N 0 0 297.305 3.417 20 10 CGCDRN Cc1cc(C)c(O)c(C[N@H+](C)CCC(F)(F)F)c1 ZINC001324409927 934498265 /nfs/dbraw/zinc/49/82/65/934498265.db2.gz UWQPPZGJKHNGPP-UHFFFAOYSA-N 0 0 261.287 3.393 20 10 CGCDRN COc1ccc(CNc2nc(Cl)cs2)c(O)c1 ZINC001472766853 937783034 /nfs/dbraw/zinc/78/30/34/937783034.db2.gz BGXBGAJRARFIQV-UHFFFAOYSA-N 0 0 270.741 3.123 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1nocc1C ZINC001473289564 937800331 /nfs/dbraw/zinc/80/03/31/937800331.db2.gz LXLSQOAMLYVXBF-UHFFFAOYSA-N 0 0 272.348 3.335 20 10 CGCDRN Cc1cc(C(=O)NC/C=C/C2CC2)c(C)n1-c1ccccn1 ZINC001325152053 934889780 /nfs/dbraw/zinc/88/97/80/934889780.db2.gz ULPFAICTOKXFHA-AATRIKPKSA-N 0 0 295.386 3.185 20 10 CGCDRN Cc1nc(COc2ccc(N(C)C)cc2)c(C)s1 ZINC001325867592 934936063 /nfs/dbraw/zinc/93/60/63/934936063.db2.gz VUXMDYCCUUMYRQ-UHFFFAOYSA-N 0 0 262.378 3.405 20 10 CGCDRN COc1ccc(N(C)Cc2cccc3c[nH]nc32)cc1OC ZINC001326795654 935008526 /nfs/dbraw/zinc/00/85/26/935008526.db2.gz ZONZBCMWLNVYDB-UHFFFAOYSA-N 0 0 297.358 3.217 20 10 CGCDRN CC(C)(NCc1c(O)cccc1Br)C(F)F ZINC001331276700 935364822 /nfs/dbraw/zinc/36/48/22/935364822.db2.gz AJJRKPGSNIRYPU-UHFFFAOYSA-N 0 0 294.139 3.288 20 10 CGCDRN Oc1ccccc1CNc1nc(C2CC2)nc2[nH]ccc21 ZINC001335496989 936149514 /nfs/dbraw/zinc/14/95/14/936149514.db2.gz FLQMPYIAUKLERN-UHFFFAOYSA-N 0 0 280.331 3.153 20 10 CGCDRN C[C@@H](CN(C)C(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC001335726782 936156915 /nfs/dbraw/zinc/15/69/15/936156915.db2.gz XNWLFXDISABYCM-LBPRGKRZSA-N 0 0 277.412 3.092 20 10 CGCDRN C[C@H](CN(C)C(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC001335726780 936157061 /nfs/dbraw/zinc/15/70/61/936157061.db2.gz XNWLFXDISABYCM-GFCCVEGCSA-N 0 0 277.412 3.092 20 10 CGCDRN CC[C@H](NC(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001336241575 936183261 /nfs/dbraw/zinc/18/32/61/936183261.db2.gz RVGHEJMCEFTIAF-HNNXBMFYSA-N 0 0 275.396 3.037 20 10 CGCDRN COc1ccc(N(C)CCCC(F)(F)F)cc1OC ZINC001336768717 936215646 /nfs/dbraw/zinc/21/56/46/936215646.db2.gz ZAQXZWPHQLYFAU-UHFFFAOYSA-N 0 0 277.286 3.483 20 10 CGCDRN CCCC[C@@H](CCC)NC(=O)NCc1ccc(N)cc1 ZINC001336848472 936223124 /nfs/dbraw/zinc/22/31/24/936223124.db2.gz OATXZTWFYSDNRB-OAHLLOKOSA-N 0 0 277.412 3.427 20 10 CGCDRN CCC[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001336876159 936224518 /nfs/dbraw/zinc/22/45/18/936224518.db2.gz BYUYZJNLBJRDSQ-MRXNPFEDSA-N 0 0 289.423 3.427 20 10 CGCDRN C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC001337096094 936236929 /nfs/dbraw/zinc/23/69/29/936236929.db2.gz YJKUSSGZIDWFNZ-IFXJQAMLSA-N 0 0 294.398 3.421 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCO[C@H]21 ZINC001474016058 937835429 /nfs/dbraw/zinc/83/54/29/937835429.db2.gz LFWGCBSKVGAQEA-ZLKJLUDKSA-N 0 0 299.773 3.088 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1cnn(CCF)c1 ZINC001474211053 937844456 /nfs/dbraw/zinc/84/44/56/937844456.db2.gz KPFNDSVCSHSAGS-UHFFFAOYSA-N 0 0 286.354 3.265 20 10 CGCDRN COc1ccc(N(C)CC2CCC(OC)CC2)cc1F ZINC001474432222 937859602 /nfs/dbraw/zinc/85/96/02/937859602.db2.gz ZZEHVOAHVKGVPD-UHFFFAOYSA-N 0 0 281.371 3.476 20 10 CGCDRN CCOc1cccc(F)c1CN1Cc2cccc(O)c2C1 ZINC001474677507 937874487 /nfs/dbraw/zinc/87/44/87/937874487.db2.gz ONZFAZLENKKMPD-UHFFFAOYSA-N 0 0 287.334 3.446 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCSc2ncccc21 ZINC001521651459 938033243 /nfs/dbraw/zinc/03/32/43/938033243.db2.gz WBLQCZKVIVZHQC-ZRDIBKRKSA-N 0 0 297.383 3.019 20 10 CGCDRN CN(C(=O)/C=C/c1cn(C)cn1)c1cccc2ccccc21 ZINC001526751227 938057839 /nfs/dbraw/zinc/05/78/39/938057839.db2.gz DJBQWXPWEMTEEX-ZHACJKMWSA-N 0 0 291.354 3.250 20 10 CGCDRN CCc1cccc(N(C)C(=O)/C=C\c2cccnc2)c1 ZINC001528153027 938065798 /nfs/dbraw/zinc/06/57/98/938065798.db2.gz HFGPELUZRZXGQY-KTKRTIGZSA-N 0 0 266.344 3.320 20 10 CGCDRN O=C(/C=C\c1ccccc1)NCc1cc(Cl)ccc1O ZINC001557386473 938209701 /nfs/dbraw/zinc/20/97/01/938209701.db2.gz IRLLHEWGTOVECM-TWGQIWQCSA-N 0 0 287.746 3.375 20 10 CGCDRN O=C(c1ccc2cnccc2c1)N1Cc2cccc(O)c2C1 ZINC001558035906 938213293 /nfs/dbraw/zinc/21/32/93/938213293.db2.gz PPVLAWRCZWNFEH-UHFFFAOYSA-N 0 0 290.322 3.096 20 10 CGCDRN Cc1cncc(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001558553882 938216333 /nfs/dbraw/zinc/21/63/33/938216333.db2.gz DMWNLHUXLFXORO-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CO)CC1CCCCC1 ZINC001560510186 938260950 /nfs/dbraw/zinc/26/09/50/938260950.db2.gz IZRYNPBBEUPAHH-AWEZNQCLSA-N 0 0 299.361 3.091 20 10 CGCDRN C=C/C=C\CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563792265 938305116 /nfs/dbraw/zinc/30/51/16/938305116.db2.gz OGNFXOYCJOJQTQ-PLNGDYQASA-N 0 0 299.418 3.001 20 10 CGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCCC(=O)[O-] ZINC001594374286 958575912 /nfs/dbraw/zinc/57/59/12/958575912.db2.gz LGXRVSZMJLTXGM-NEPJUHHUSA-N 0 0 277.364 3.093 20 10 CGCDRN O=C(Cc1ccccc1)Nc1c2nonc2ccc1Cl ZINC001117548217 958823410 /nfs/dbraw/zinc/82/34/10/958823410.db2.gz QEOWPWHBMLLYJN-UHFFFAOYSA-N 0 0 287.706 3.057 20 10 CGCDRN CC(C)C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001566681049 960985997 /nfs/dbraw/zinc/98/59/97/960985997.db2.gz OKZQLFLBJFYPNX-SECBINFHSA-N 0 0 293.388 3.477 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1Cl ZINC001574343139 962301654 /nfs/dbraw/zinc/30/16/54/962301654.db2.gz FKIHLSSOZNUCHQ-OTYXRUKQSA-N 0 0 297.782 3.039 20 10 CGCDRN CC[C@@H](C)Oc1cccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC001577005510 962510635 /nfs/dbraw/zinc/51/06/35/962510635.db2.gz DBSFJGKUFHHCAL-GFCCVEGCSA-N 0 0 299.374 3.022 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1ccc(Cl)nc1 ZINC001586346907 963094482 /nfs/dbraw/zinc/09/44/82/963094482.db2.gz OHZSCHRVSCIVIA-YVMONPNESA-N 0 0 287.750 3.115 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(Cl)nc1 ZINC001586346906 963097229 /nfs/dbraw/zinc/09/72/29/963097229.db2.gz OHZSCHRVSCIVIA-VMPITWQZSA-N 0 0 287.750 3.115 20 10 CGCDRN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)c1ccc(N(C)C)cc1 ZINC000315545119 963913524 /nfs/dbraw/zinc/91/35/24/963913524.db2.gz CIGNDUFGGBZKFU-SUMWQHHRSA-N 0 0 298.386 3.229 20 10 CGCDRN CC(C)c1ccc(O)c(C[NH2+]CCC(C)(C)C(=O)[O-])c1 ZINC001591973624 976578726 /nfs/dbraw/zinc/57/87/26/976578726.db2.gz DXMVKXWDLGMIHP-UHFFFAOYSA-N 0 0 279.380 3.106 20 10 CGCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001595057255 979298515 /nfs/dbraw/zinc/29/85/15/979298515.db2.gz IDRLHDAKKUVHQH-UHFFFAOYSA-N 0 0 291.391 3.135 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccccc1O ZINC001595304221 980438267 /nfs/dbraw/zinc/43/82/67/980438267.db2.gz BPUWFYBPHFAGSS-MRXNPFEDSA-N 0 0 299.370 3.260 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594352550 999334846 /nfs/dbraw/zinc/33/48/46/999334846.db2.gz IQPXTYKNBSZHQM-MDZLAQPJSA-N 0 0 277.364 3.320 20 10 CGCDRN CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187714977 282242263 /nfs/dbraw/zinc/24/22/63/282242263.db2.gz KEUYITMFDZIWTN-ZANVPECISA-N 0 0 287.350 3.118 20 10 CGCDRN CCCCN(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000031731168 344927961 /nfs/dbraw/zinc/92/79/61/344927961.db2.gz LAJNNMGQCAIPPC-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCSC(C)(C)C ZINC000067468576 345322331 /nfs/dbraw/zinc/32/23/31/345322331.db2.gz HQSOCLFGBVNLQJ-UHFFFAOYSA-N 0 0 296.436 3.065 20 10 CGCDRN O=C(CCC1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000075159997 345496174 /nfs/dbraw/zinc/49/61/74/345496174.db2.gz SJACXLUFNRMAFL-UHFFFAOYSA-N 0 0 273.376 3.077 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c(O)c1O ZINC000179445260 346253450 /nfs/dbraw/zinc/25/34/50/346253450.db2.gz ZWGBHIRKEWQLPY-CQSZACIVSA-N 0 0 289.375 3.201 20 10 CGCDRN C[C@H]([NH2+]CC1(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273513163 299279499 /nfs/dbraw/zinc/27/94/99/299279499.db2.gz SDVFSUWPUFYREA-JTQLQIEISA-N 0 0 276.336 3.141 20 10 CGCDRN C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000187685512 299283980 /nfs/dbraw/zinc/28/39/80/299283980.db2.gz PNQBFZCCRCIUCA-JTQLQIEISA-N 0 0 285.334 3.016 20 10 CGCDRN CC1(C)C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000124863616 370928475 /nfs/dbraw/zinc/92/84/75/370928475.db2.gz KMTFBCSSVFDAPZ-LLVKDONJSA-N 0 0 269.772 3.093 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000062747590 296146517 /nfs/dbraw/zinc/14/65/17/296146517.db2.gz XRHAAGIZRIFOOR-QWHCGFSZSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000276981513 296156969 /nfs/dbraw/zinc/15/69/69/296156969.db2.gz VZNLSFJSAQNQHH-GHMZBOCLSA-N 0 0 297.345 3.423 20 10 CGCDRN CC[C@H]([NH2+]CC1=CCCOC1)c1cccc(Cl)c1[O-] ZINC000286999106 371588088 /nfs/dbraw/zinc/58/80/88/371588088.db2.gz JZALMIXHCIYTSJ-AWEZNQCLSA-N 0 0 281.783 3.433 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC2(C)C)cc1 ZINC000287395581 371649305 /nfs/dbraw/zinc/64/93/05/371649305.db2.gz PILGOHBVNATYNO-OAHLLOKOSA-N 0 0 289.423 3.083 20 10 CGCDRN CSCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293724124 372460405 /nfs/dbraw/zinc/46/04/05/372460405.db2.gz VUYCYGIMKGQNGS-UHFFFAOYSA-N 0 0 263.765 3.027 20 10 CGCDRN CC(C)[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000293857160 372502869 /nfs/dbraw/zinc/50/28/69/372502869.db2.gz ICIOTILCDUFOTL-LLVKDONJSA-N 0 0 287.762 3.184 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)cc1[O-] ZINC000168818038 372621292 /nfs/dbraw/zinc/62/12/92/372621292.db2.gz BYJBBIYPCMCUJK-GXSJLCMTSA-N 0 0 287.425 3.031 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)C[C@@H]1C ZINC000295112311 372694804 /nfs/dbraw/zinc/69/48/04/372694804.db2.gz LHPFHFYQDKEGMI-AGIUHOORSA-N 0 0 261.365 3.081 20 10 CGCDRN CCC(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171192281 372725811 /nfs/dbraw/zinc/72/58/11/372725811.db2.gz VZNWPJLBRORDMT-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN C[C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)c2nccn21 ZINC000295346080 372744463 /nfs/dbraw/zinc/74/44/63/372744463.db2.gz YOHPSTHMGGHNIY-YOEHRIQHSA-N 0 0 296.418 3.279 20 10 CGCDRN COC(=O)c1cnc(SCc2ncc(C3CC3)o2)s1 ZINC000295390516 372760518 /nfs/dbraw/zinc/76/05/18/372760518.db2.gz VBANEMHPGORUHQ-UHFFFAOYSA-N 0 0 296.373 3.087 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(F)cc1[O-] ZINC000296272398 373075482 /nfs/dbraw/zinc/07/54/82/373075482.db2.gz DRPNKGHXGSZCIV-SMDDNHRTSA-N 0 0 269.360 3.123 20 10 CGCDRN CN1CCOc2ccc(N[C@@H]3CCc4cccc(O)c43)cc21 ZINC000296372246 373109631 /nfs/dbraw/zinc/10/96/31/373109631.db2.gz IUFQWKSIXUCLQZ-CQSZACIVSA-N 0 0 296.370 3.320 20 10 CGCDRN C[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC000296512352 373158808 /nfs/dbraw/zinc/15/88/08/373158808.db2.gz PMTANHSAYGIWLV-VIFPVBQESA-N 0 0 297.280 3.052 20 10 CGCDRN CCN(C)c1ccc([C@H](C)NCc2nccn2CC)cc1 ZINC000296599546 373188806 /nfs/dbraw/zinc/18/88/06/373188806.db2.gz VLPHTTYZCGIMCB-AWEZNQCLSA-N 0 0 286.423 3.210 20 10 CGCDRN OCCc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000296631827 373201780 /nfs/dbraw/zinc/20/17/80/373201780.db2.gz CIWORWXLOFHSGZ-HNNXBMFYSA-N 0 0 269.344 3.026 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)C1CCC1 ZINC000297551769 373273663 /nfs/dbraw/zinc/27/36/63/373273663.db2.gz PJRSHTHVWQIREP-UHFFFAOYSA-N 0 0 290.407 3.360 20 10 CGCDRN CCCC[C@@H](CC)CC(=O)NCc1ccc(N)cc1 ZINC000297239727 373260458 /nfs/dbraw/zinc/26/04/58/373260458.db2.gz PQTOHVLYJXXSPS-CYBMUJFWSA-N 0 0 262.397 3.492 20 10 CGCDRN CC1CCN(c2ccc(CNc3ncccn3)cc2)CC1 ZINC000301207151 373692480 /nfs/dbraw/zinc/69/24/80/373692480.db2.gz QBCYHOYRSYSTEE-UHFFFAOYSA-N 0 0 282.391 3.325 20 10 CGCDRN COc1ccc(N2CCCN(c3cc(C)ccn3)CC2)cc1 ZINC000301645033 373793353 /nfs/dbraw/zinc/79/33/53/373793353.db2.gz OXXBESLMMUVXOM-UHFFFAOYSA-N 0 0 297.402 3.115 20 10 CGCDRN COc1cccc(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)c1O ZINC000183611427 374432093 /nfs/dbraw/zinc/43/20/93/374432093.db2.gz IWPNLMLOLQPUQU-RYUDHWBXSA-N 0 0 291.391 3.089 20 10 CGCDRN Cc1occc1-c1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000185868765 374755959 /nfs/dbraw/zinc/75/59/59/374755959.db2.gz BYRVYTFYNHLQQZ-UHFFFAOYSA-N 0 0 298.346 3.316 20 10 CGCDRN COCCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000185752686 374729973 /nfs/dbraw/zinc/72/99/73/374729973.db2.gz NHZGLERAXMKBEW-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(F)c(F)c1[O-] ZINC000187702986 375077863 /nfs/dbraw/zinc/07/78/63/375077863.db2.gz OXGJECJHGWIKTR-SNVBAGLBSA-N 0 0 293.313 3.014 20 10 CGCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)(C)C ZINC000187742745 375085997 /nfs/dbraw/zinc/08/59/97/375085997.db2.gz GHJPUJUSASNMKP-JOYOIKCWSA-N 0 0 287.350 3.382 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(F)c(F)c1[O-] ZINC000187789189 375094767 /nfs/dbraw/zinc/09/47/67/375094767.db2.gz GAGLZJKOEOOGHF-VHSXEESVSA-N 0 0 287.350 3.118 20 10 CGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCCc2ncccc21 ZINC000492776294 375452157 /nfs/dbraw/zinc/45/21/57/375452157.db2.gz MPJDAXGZTFWQNC-VURMDHGXSA-N 0 0 299.761 3.123 20 10 CGCDRN C[C@@H]1CCSCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000191814215 375664444 /nfs/dbraw/zinc/66/44/44/375664444.db2.gz ICBQSCVCKCRISL-SNVBAGLBSA-N 0 0 271.813 3.373 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000529667834 375933391 /nfs/dbraw/zinc/93/33/91/375933391.db2.gz ABWKBRYYQHGIJG-GMAGZHIISA-N 0 0 287.762 3.086 20 10 CGCDRN CN(Cc1ccn(C)n1)Cc1ccc(N2CCCCC2)cc1 ZINC000269367578 378212385 /nfs/dbraw/zinc/21/23/85/378212385.db2.gz RQYBANPMNLNZID-UHFFFAOYSA-N 0 0 298.434 3.042 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1scnc1C ZINC000269545218 378235555 /nfs/dbraw/zinc/23/55/55/378235555.db2.gz YDFWEZQCSFOUQL-UHFFFAOYSA-N 0 0 260.362 3.023 20 10 CGCDRN CN(C)c1ccc(CN(Cc2nccs2)C2CC2)cc1 ZINC000269656717 378250034 /nfs/dbraw/zinc/25/00/34/378250034.db2.gz NQQFNIPSXNDBIR-UHFFFAOYSA-N 0 0 287.432 3.374 20 10 CGCDRN CO[C@@H](C)c1nc(CNCc2cccc(C)c2O)cs1 ZINC000271797178 378503957 /nfs/dbraw/zinc/50/39/57/378503957.db2.gz IFFKUNBVTCJYEZ-NSHDSACASA-N 0 0 292.404 3.154 20 10 CGCDRN COc1ccc(O)c(CN(C)Cc2ccc(F)cc2F)c1 ZINC000271794788 378504037 /nfs/dbraw/zinc/50/40/37/378504037.db2.gz JXYSQPBHDFBSFE-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000271888982 378512252 /nfs/dbraw/zinc/51/22/52/378512252.db2.gz WUGUYRNRBJYSGS-UHFFFAOYSA-N 0 0 281.783 3.191 20 10 CGCDRN C[N@H+](CCOCc1ccccc1)Cc1cccc(F)c1[O-] ZINC000272419472 378633338 /nfs/dbraw/zinc/63/33/38/378633338.db2.gz LTRTXRPTSFLYNK-UHFFFAOYSA-N 0 0 289.350 3.180 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CCO1 ZINC000272674254 378687547 /nfs/dbraw/zinc/68/75/47/378687547.db2.gz UIGRJJKNFBBFEQ-ZIAGYGMSSA-N 0 0 281.371 3.215 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccccn1 ZINC000346901522 378696308 /nfs/dbraw/zinc/69/63/08/378696308.db2.gz YEOPACYRNUXGHA-UHFFFAOYSA-N 0 0 294.358 3.203 20 10 CGCDRN Cc1nc([C@@H]2CCCCN2Cc2cc(C)ccc2O)no1 ZINC000371410904 379160127 /nfs/dbraw/zinc/16/01/27/379160127.db2.gz INKLSZJONLSHRS-AWEZNQCLSA-N 0 0 287.363 3.119 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000281260919 379826093 /nfs/dbraw/zinc/82/60/93/379826093.db2.gz NDINLJRPSPHHIQ-SFHVURJKSA-N 0 0 298.434 3.213 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CC1CC1 ZINC000282455799 379923260 /nfs/dbraw/zinc/92/32/60/379923260.db2.gz JHFHBJHSFXUBOF-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(F)cc1[O-] ZINC000286134128 380163707 /nfs/dbraw/zinc/16/37/07/380163707.db2.gz OREJPHJIVCGKLK-BMIGLBTASA-N 0 0 291.370 3.375 20 10 CGCDRN CC[C@@H]([NH2+]CC1(CCOC)CC1)c1ccc(F)cc1[O-] ZINC000286172453 380171309 /nfs/dbraw/zinc/17/13/09/380171309.db2.gz PXCDWPJFLRTNBH-CQSZACIVSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(F)cc1[O-] ZINC000286232911 380179362 /nfs/dbraw/zinc/17/93/62/380179362.db2.gz SYCWDXIQZXKLJY-SMDDNHRTSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(F)cc1[O-] ZINC000286232905 380179782 /nfs/dbraw/zinc/17/97/82/380179782.db2.gz SYCWDXIQZXKLJY-BXUZGUMPSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(F)cc1[O-] ZINC000286034402 380158606 /nfs/dbraw/zinc/15/86/06/380158606.db2.gz KGUBZIOSNOPGKY-CYBMUJFWSA-N 0 0 264.300 3.069 20 10 CGCDRN CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000286022130 380159344 /nfs/dbraw/zinc/15/93/44/380159344.db2.gz IRWOXDAHJROAGO-DZGCQCFKSA-N 0 0 283.387 3.369 20 10 CGCDRN CC1(CC(=O)NCCc2ccc(O)c(O)c2)CCCCC1 ZINC000122682904 392422724 /nfs/dbraw/zinc/42/27/24/392422724.db2.gz DMCGJJMVPDZDEQ-UHFFFAOYSA-N 0 0 291.391 3.117 20 10 CGCDRN CCc1nsc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000301527237 392593912 /nfs/dbraw/zinc/59/39/12/392593912.db2.gz QFHLLIITWFWWSG-UHFFFAOYSA-N 0 0 288.420 3.095 20 10 CGCDRN CN(Cc1ccccc1O)c1ncccc1C(F)(F)F ZINC000301892057 392599540 /nfs/dbraw/zinc/59/95/40/392599540.db2.gz VLIFPMDJILVRKD-UHFFFAOYSA-N 0 0 282.265 3.442 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c(O)c1O ZINC000179416912 392700493 /nfs/dbraw/zinc/70/04/93/392700493.db2.gz IXVDYMAXWAAJED-GXFFZTMASA-N 0 0 277.364 3.057 20 10 CGCDRN CCCOc1ccc(CNc2ncccc2F)c(O)c1 ZINC000195311170 392964217 /nfs/dbraw/zinc/96/42/17/392964217.db2.gz ZZTJCLALNISPAZ-UHFFFAOYSA-N 0 0 276.311 3.327 20 10 CGCDRN Oc1ccccc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000281892815 393365844 /nfs/dbraw/zinc/36/58/44/393365844.db2.gz FAMKLIQNCXMQMG-LLVKDONJSA-N 0 0 255.308 3.307 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1 ZINC000008171127 170322709 /nfs/dbraw/zinc/32/27/09/170322709.db2.gz JOKKQSJFNNMWQL-UHFFFAOYSA-N 0 0 294.354 3.429 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC000020207308 171072167 /nfs/dbraw/zinc/07/21/67/171072167.db2.gz KPCKCLWNSGTXPU-PRHODGIISA-N 0 0 290.190 3.356 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC(F)(F)C(F)F ZINC000736621410 572801884 /nfs/dbraw/zinc/80/18/84/572801884.db2.gz MJSLPUKQDKRYJP-UHFFFAOYSA-N 0 0 277.261 3.348 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[C@H]1C ZINC000409610240 260418951 /nfs/dbraw/zinc/41/89/51/260418951.db2.gz ZPCIEBOBZHILRL-DOMZBBRYSA-N 0 0 299.418 3.475 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cnn(CC(F)F)c1 ZINC000157430352 261145639 /nfs/dbraw/zinc/14/56/39/261145639.db2.gz QCNSZACCZBQNGT-UHFFFAOYSA-N 0 0 287.697 3.119 20 10 CGCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000161418232 261246616 /nfs/dbraw/zinc/24/66/16/261246616.db2.gz ZOEHMRCCQZPLBW-KDOFPFPSSA-N 0 0 294.398 3.216 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCCCC1 ZINC000173184580 261525145 /nfs/dbraw/zinc/52/51/45/261525145.db2.gz VAZCSQRXCRSLME-UHFFFAOYSA-N 0 0 288.391 3.058 20 10 CGCDRN Cc1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000183454590 261976327 /nfs/dbraw/zinc/97/63/27/261976327.db2.gz GGFTYYNMUNXOMM-GFCCVEGCSA-N 0 0 299.370 3.076 20 10 CGCDRN CC(C)[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000184839547 262030247 /nfs/dbraw/zinc/03/02/47/262030247.db2.gz OAPJIFDKRJBVFV-CVEARBPZSA-N 0 0 274.408 3.003 20 10 CGCDRN C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(F)cc1[O-] ZINC000185518638 262057993 /nfs/dbraw/zinc/05/79/93/262057993.db2.gz RAGURGDMYAZTQS-BONVTDFDSA-N 0 0 295.379 3.151 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1[O-] ZINC000185772196 262069811 /nfs/dbraw/zinc/06/98/11/262069811.db2.gz NZNVAKHPMVPCHW-DSPGLSBSSA-N 0 0 279.355 3.140 20 10 CGCDRN Cc1cccc(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186400680 262092157 /nfs/dbraw/zinc/09/21/57/262092157.db2.gz GPKQEZKLOXQVSR-CYBMUJFWSA-N 0 0 299.370 3.076 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCCCCC1 ZINC000186747066 262108019 /nfs/dbraw/zinc/10/80/19/262108019.db2.gz HZQGPEBSJNXNJC-LBPRGKRZSA-N 0 0 289.375 3.036 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185605935 262306388 /nfs/dbraw/zinc/30/63/88/262306388.db2.gz ISLXEAJDIJBENL-KBPBESRZSA-N 0 0 265.397 3.150 20 10 CGCDRN CC(C)C[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000193133033 279206677 /nfs/dbraw/zinc/20/66/77/279206677.db2.gz XJHOALGJBVHAET-GFCCVEGCSA-N 0 0 277.364 3.139 20 10 CGCDRN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000290169366 279372678 /nfs/dbraw/zinc/37/26/78/279372678.db2.gz MNMXGUQCJBJZQJ-GHMZBOCLSA-N 0 0 286.366 3.050 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000286075562 328249002 /nfs/dbraw/zinc/24/90/02/328249002.db2.gz LGDUKUIYMSEAAE-OSMZGAPFSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccccc2F)s1 ZINC000112242120 328392818 /nfs/dbraw/zinc/39/28/18/328392818.db2.gz HZOMEBCCXWFRPC-BQYQJAHWSA-N 0 0 276.336 3.267 20 10 CGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000255360508 326966732 /nfs/dbraw/zinc/96/67/32/326966732.db2.gz BFMLUHPIBXLWEG-DJWKRKHSSA-N 0 0 292.260 3.175 20 10 CGCDRN COCCC1CC[NH+]([C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000527933934 330297730 /nfs/dbraw/zinc/29/77/30/330297730.db2.gz JKSMMNKBNDIYRW-GFCCVEGCSA-N 0 0 281.371 3.341 20 10 CGCDRN CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000528000965 330300034 /nfs/dbraw/zinc/30/00/34/330300034.db2.gz TWXIGFWQYKKLOO-KMUNFCNLSA-N 0 0 267.344 3.138 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(F)cc1[O-] ZINC000528001678 330300175 /nfs/dbraw/zinc/30/01/75/330300175.db2.gz MQMJRSFNTDELAS-DOMZBBRYSA-N 0 0 292.398 3.199 20 10 CGCDRN CC/C=C/CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000454879871 331155564 /nfs/dbraw/zinc/15/55/64/331155564.db2.gz VXPQXMSKCRRGHR-VMPITWQZSA-N 0 0 285.391 3.252 20 10 CGCDRN Cc1cccnc1N(C)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000491997770 332378641 /nfs/dbraw/zinc/37/86/41/332378641.db2.gz GQGBKSZXDHJASG-VURMDHGXSA-N 0 0 287.750 3.115 20 10 CGCDRN CN(C(=O)/C=C\c1cccnc1)c1ccc2cc[nH]c2c1 ZINC000492021847 332379666 /nfs/dbraw/zinc/37/96/66/332379666.db2.gz URAYQKKECWIFIP-DAXSKMNVSA-N 0 0 277.327 3.239 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2cc(F)ccc2F)cn1 ZINC000492437586 332397367 /nfs/dbraw/zinc/39/73/67/332397367.db2.gz INIRMTMAMPVBGO-YVMONPNESA-N 0 0 288.297 3.344 20 10 CGCDRN Nc1ccc(CC(=O)Nc2cccc(-c3cnco3)c2)cc1 ZINC000315623373 333382586 /nfs/dbraw/zinc/38/25/86/333382586.db2.gz SVJRHRANMLNKIX-UHFFFAOYSA-N 0 0 293.326 3.105 20 10 CGCDRN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000528858672 333462178 /nfs/dbraw/zinc/46/21/78/333462178.db2.gz AIVRLBGPLMZNGL-NBHSMZAVSA-N 0 0 299.414 3.179 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000529641348 333503147 /nfs/dbraw/zinc/50/31/47/333503147.db2.gz QQLMDYKLMTZGAF-HNNXBMFYSA-N 0 0 292.398 3.028 20 10 CGCDRN CCCCN(CC(F)(F)F)C(=O)Cc1ccc(N)cc1 ZINC000037812005 520445279 /nfs/dbraw/zinc/44/52/79/520445279.db2.gz WKJULKLAHWPUPR-UHFFFAOYSA-N 0 0 288.313 3.002 20 10 CGCDRN CC(C)(C)[C@H](O)COc1ccc(N2CCCC2)cc1 ZINC000290113799 518971827 /nfs/dbraw/zinc/97/18/27/518971827.db2.gz LVKCNNZIHKPTST-OAHLLOKOSA-N 0 0 263.381 3.073 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCC1 ZINC000298345913 519654727 /nfs/dbraw/zinc/65/47/27/519654727.db2.gz KPLHLQUSTNQVLM-UHFFFAOYSA-N 0 0 274.408 3.290 20 10 CGCDRN CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000299464756 519791034 /nfs/dbraw/zinc/79/10/34/519791034.db2.gz YUUOWZTTZQYLMJ-GFCCVEGCSA-N 0 0 295.402 3.078 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccccn1 ZINC000066097094 521687804 /nfs/dbraw/zinc/68/78/04/521687804.db2.gz VZZFPOFLMZHWHA-UHFFFAOYSA-N 0 0 298.386 3.159 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC(C)C ZINC000066687869 521688031 /nfs/dbraw/zinc/68/80/31/521688031.db2.gz WREJREYXCHCPRI-UHFFFAOYSA-N 0 0 278.396 3.360 20 10 CGCDRN CCc1ccccc1NC(=O)COc1ccc(N(C)C)cc1 ZINC000277697507 521875735 /nfs/dbraw/zinc/87/57/35/521875735.db2.gz DUQPQABCNAHRCK-UHFFFAOYSA-N 0 0 298.386 3.333 20 10 CGCDRN CC[C@@H]([NH2+]CC(C)(C)COC)c1ccc(F)cc1[O-] ZINC000293276201 522819117 /nfs/dbraw/zinc/81/91/17/522819117.db2.gz CPVWVLBYRRMZDE-CYBMUJFWSA-N 0 0 269.360 3.245 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000290029025 522944180 /nfs/dbraw/zinc/94/41/80/522944180.db2.gz CTFGCLAKVYNPIW-HUUCEWRRSA-N 0 0 281.371 3.123 20 10 CGCDRN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289823585 523431586 /nfs/dbraw/zinc/43/15/86/523431586.db2.gz NTKRITJHNXMHAG-SFYZADRCSA-N 0 0 278.179 3.212 20 10 CGCDRN CN(Cc1nccn1C)Cc1ccc(N2CCCCC2)cc1 ZINC000248061495 523595489 /nfs/dbraw/zinc/59/54/89/523595489.db2.gz QEDOFKIOYMQUMS-UHFFFAOYSA-N 0 0 298.434 3.042 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)CSc2nccs2)[C@H]1C ZINC000298818606 524397747 /nfs/dbraw/zinc/39/77/47/524397747.db2.gz MTGKSUZYTHKYON-VWYCJHECSA-N 0 0 284.450 3.176 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000047035551 524400023 /nfs/dbraw/zinc/40/00/23/524400023.db2.gz LJLDHYFULJIZDB-OCCSQVGLSA-N 0 0 276.380 3.112 20 10 CGCDRN Cc1cccc(CNc2ccc(OCCCO)cc2)c1O ZINC000289814804 524442443 /nfs/dbraw/zinc/44/24/43/524442443.db2.gz TUWKJSYYDPCWSG-UHFFFAOYSA-N 0 0 287.359 3.074 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192850826 525311149 /nfs/dbraw/zinc/31/11/49/525311149.db2.gz IKHGXHWGIYLKLO-ZETCQYMHSA-N 0 0 278.179 3.121 20 10 CGCDRN Cc1cc(O)c(CN2CCC(=O)Nc3ccccc32)cc1C ZINC000291449254 525314348 /nfs/dbraw/zinc/31/43/48/525314348.db2.gz CJKZPXHNOVBBER-UHFFFAOYSA-N 0 0 296.370 3.358 20 10 CGCDRN COc1cccc(CNC(=O)C2CCC(C)(C)CC2)c1O ZINC000131286427 525962929 /nfs/dbraw/zinc/96/29/29/525962929.db2.gz UWUNODNJCRNWRW-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN Oc1ccc(-c2csc(C3CCOCC3)n2)cc1O ZINC000286682944 526338212 /nfs/dbraw/zinc/33/82/12/526338212.db2.gz ZMSWPNBDARPMSC-UHFFFAOYSA-N 0 0 277.345 3.115 20 10 CGCDRN CC(C)(C)c1cnc(Sc2ncnc3n[nH]cc32)s1 ZINC000301665169 526828473 /nfs/dbraw/zinc/82/84/73/526828473.db2.gz WEWWOBAUHHJKSR-UHFFFAOYSA-N 0 0 291.405 3.258 20 10 CGCDRN O=C(CSc1nccs1)N1CCC[C@H]2CCCC[C@H]21 ZINC000298764045 527071755 /nfs/dbraw/zinc/07/17/55/527071755.db2.gz DUTPAXVMJKBZQR-VXGBXAGGSA-N 0 0 296.461 3.416 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000101596420 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C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(Cl)cc1O ZINC000841751612 620375041 /nfs/dbraw/zinc/37/50/41/620375041.db2.gz IFWBSPVWRXPDPU-GWCFXTLKSA-N 0 0 283.799 3.247 20 10 CGCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCCC2(CC2)C1 ZINC000897763141 620424969 /nfs/dbraw/zinc/42/49/69/620424969.db2.gz ULUYFOCVZUKZLE-NSHDSACASA-N 0 0 292.354 3.053 20 10 CGCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cncs1 ZINC000897930078 620450567 /nfs/dbraw/zinc/45/05/67/620450567.db2.gz IJNGVLNNZXSMBT-VIFPVBQESA-N 0 0 297.374 3.338 20 10 CGCDRN Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(F)c1[O-] ZINC000841058949 620548250 /nfs/dbraw/zinc/54/82/50/620548250.db2.gz XGTPBNOJZMXRIR-INIZCTEOSA-N 0 0 286.350 3.281 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000899181605 620623585 /nfs/dbraw/zinc/62/35/85/620623585.db2.gz HAGVJIUZHXMNBE-STQMWFEESA-N 0 0 289.375 3.061 20 10 CGCDRN CCn1cccc(NCc2c(C)c3ccccc3n2C)c1=O ZINC000902122566 621161338 /nfs/dbraw/zinc/16/13/38/621161338.db2.gz OYGBAVXJVQPJML-UHFFFAOYSA-N 0 0 295.386 3.280 20 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285.343 3.474 20 10 CGCDRN COc1cc(Cl)cc(CNc2cccnc2OC)c1O ZINC000228676534 623071709 /nfs/dbraw/zinc/07/17/09/623071709.db2.gz QOGMUTIQGXTEOT-UHFFFAOYSA-N 0 0 294.738 3.070 20 10 CGCDRN CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N(C)C ZINC000062745406 623265007 /nfs/dbraw/zinc/26/50/07/623265007.db2.gz UNCIAYSXDASZMA-OCCSQVGLSA-N 0 0 282.403 3.158 20 10 CGCDRN CC[C@H]1COCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000151911042 623584734 /nfs/dbraw/zinc/58/47/34/623584734.db2.gz ORKNQOKPWRKYGD-AWEZNQCLSA-N 0 0 293.407 3.006 20 10 CGCDRN C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccccc2O)C1 ZINC000152403878 623652419 /nfs/dbraw/zinc/65/24/19/623652419.db2.gz ZBHLKDFZKVIBMJ-DYVFJYSZSA-N 0 0 277.408 3.059 20 10 CGCDRN Cc1cc(C(=O)NCc2ccco2)c(C)n1-c1ccccn1 ZINC000914846060 623866995 /nfs/dbraw/zinc/86/69/95/623866995.db2.gz RTRQBIPDQBTWMA-UHFFFAOYSA-N 0 0 295.342 3.012 20 10 CGCDRN C/C=C\COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914905198 623876056 /nfs/dbraw/zinc/87/60/56/623876056.db2.gz GNGQJPGMISKJLQ-PLNGDYQASA-N 0 0 270.332 3.222 20 10 CGCDRN Cc1cc(C(=O)NCCCF)c(C)n1-c1ccc(F)cc1 ZINC000154077102 624181988 /nfs/dbraw/zinc/18/19/88/624181988.db2.gz VVJBODYVFAJSTM-UHFFFAOYSA-N 0 0 292.329 3.323 20 10 CGCDRN Cc1cc(C)c(NC(=O)c2cccc(O)c2O)c(C)c1 ZINC000126197765 624222287 /nfs/dbraw/zinc/22/22/87/624222287.db2.gz BWDBSUYTPWMBLF-UHFFFAOYSA-N 0 0 271.316 3.275 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccncc1 ZINC000917392495 624264668 /nfs/dbraw/zinc/26/46/68/624264668.db2.gz BVTZHFPPTQMIMV-UHFFFAOYSA-N 0 0 297.383 3.225 20 10 CGCDRN OCC[N@H+](Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000155138564 624433541 /nfs/dbraw/zinc/43/35/41/624433541.db2.gz OOWRPIXFMAEMGG-UHFFFAOYSA-N 0 0 283.799 3.173 20 10 CGCDRN CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000919978981 624435978 /nfs/dbraw/zinc/43/59/78/624435978.db2.gz HZRNSKPNNPIGQH-UHFFFAOYSA-N 0 0 276.767 3.497 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2oc(C)cc2C)c1 ZINC000175263766 624624953 /nfs/dbraw/zinc/62/49/53/624624953.db2.gz QBUFXGKJWSLNIM-NSHDSACASA-N 0 0 289.331 3.102 20 10 CGCDRN CCC[N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000170842003 624629801 /nfs/dbraw/zinc/62/98/01/624629801.db2.gz QDKGDSRTJALWOA-UHFFFAOYSA-N 0 0 299.370 3.171 20 10 CGCDRN CC[C@@H]1CCCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182488495 625007017 /nfs/dbraw/zinc/00/70/17/625007017.db2.gz NTRVDFALVTWHIW-GFCCVEGCSA-N 0 0 277.364 3.201 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000184626281 625255491 /nfs/dbraw/zinc/25/54/91/625255491.db2.gz FOJHDKUFIGRJID-UKRRQHHQSA-N 0 0 274.408 3.195 20 10 CGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cc[nH]n1 ZINC000184736786 625266939 /nfs/dbraw/zinc/26/69/39/625266939.db2.gz RJSCJYREBVGCOM-UHFFFAOYSA-N 0 0 297.280 3.261 20 10 CGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1CC1(C)C ZINC000842271241 626173321 /nfs/dbraw/zinc/17/33/21/626173321.db2.gz LXJAHPISQTZZDK-ZJUUUORDSA-N 0 0 253.367 3.008 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC1CC(C(C)(C)C)C1 ZINC000838620561 626239429 /nfs/dbraw/zinc/23/94/29/626239429.db2.gz XYHUOCLPDYPHBT-UHFFFAOYSA-N 0 0 290.407 3.358 20 10 CGCDRN C[C@@H](CCCc1cccnc1)[NH2+]Cc1cc(F)ccc1O ZINC000839149025 626317603 /nfs/dbraw/zinc/31/76/03/626317603.db2.gz BDDBQMRJYMCMQV-ZDUSSCGKSA-N 0 0 288.366 3.427 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000751361386 626385783 /nfs/dbraw/zinc/38/57/83/626385783.db2.gz RXMXJMQDGPWLLF-IAGOWNOFSA-N 0 0 286.419 3.147 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)c(O)c1O ZINC000751534540 626394842 /nfs/dbraw/zinc/39/48/42/626394842.db2.gz ZKUFRVOJYPXQEK-UHFFFAOYSA-N 0 0 283.327 3.147 20 10 CGCDRN COc1ccc(N(C)CCCOC(C)(C)C)c(OC)c1 ZINC000752114965 626419370 /nfs/dbraw/zinc/41/93/70/626419370.db2.gz XADBCSFNQVLCKI-UHFFFAOYSA-N 0 0 281.396 3.345 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C1/CC[C@@H](C)C1 ZINC000753615193 626459011 /nfs/dbraw/zinc/45/90/11/626459011.db2.gz BBXXPRRURNAYPW-LKKYZFDUSA-N 0 0 286.419 3.424 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCc3cccc(C)c32)cn1 ZINC000754136158 626560060 /nfs/dbraw/zinc/56/00/60/626560060.db2.gz JEBUJOIOULQEBR-HJWRWDBZSA-N 0 0 278.355 3.301 20 10 CGCDRN CCOc1ccc(CN2CCCc3cc(OC)ccc32)nc1 ZINC000755890823 626657008 /nfs/dbraw/zinc/65/70/08/626657008.db2.gz QGYSFHPHIHQEKA-UHFFFAOYSA-N 0 0 298.386 3.442 20 10 CGCDRN Cc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756442435 626706128 /nfs/dbraw/zinc/70/61/28/626706128.db2.gz POWIXIKDBWDDOC-JTQLQIEISA-N 0 0 278.302 3.225 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756453824 626707015 /nfs/dbraw/zinc/70/70/15/626707015.db2.gz ABNFWXVVJLRVND-SNVBAGLBSA-N 0 0 293.313 3.269 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1[O-] ZINC000756514506 626711043 /nfs/dbraw/zinc/71/10/43/626711043.db2.gz HWZPJNPHEJJGJA-LLVKDONJSA-N 0 0 287.334 3.317 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756531996 626712587 /nfs/dbraw/zinc/71/25/87/626712587.db2.gz CKWOUDDDXOJDNE-YPMHNXCESA-N 0 0 298.342 3.291 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756533491 626713117 /nfs/dbraw/zinc/71/31/17/626713117.db2.gz IEKIWZMRYIOXLB-DTWKUNHWSA-N 0 0 289.206 3.054 20 10 CGCDRN Cc1ncsc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756549486 626714062 /nfs/dbraw/zinc/71/40/62/626714062.db2.gz OAVWJCMGLACCJW-SSDOTTSWSA-N 0 0 284.331 3.286 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000756683209 626726704 /nfs/dbraw/zinc/72/67/04/626726704.db2.gz KMROOTUNOWWAQH-UHIISALHSA-N 0 0 277.364 3.018 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756763070 626730054 /nfs/dbraw/zinc/73/00/54/626730054.db2.gz YIIZFWDKMBJOOB-MWLCHTKSSA-N 0 0 287.350 3.118 20 10 CGCDRN CC(C)c1nnc([C@@H](C)N[C@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756776763 626731400 /nfs/dbraw/zinc/73/14/00/626731400.db2.gz DDGCOQYLBSNDFQ-NXEZZACHSA-N 0 0 292.358 3.185 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1(C)CC1 ZINC000756816247 626734360 /nfs/dbraw/zinc/73/43/60/626734360.db2.gz BNUORIGQHKIGDD-VHSXEESVSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@@H](NCc1cocn1)c1cc2c(cc1O)CCCC2 ZINC000756831322 626736079 /nfs/dbraw/zinc/73/60/79/626736079.db2.gz NNOQPLKTZRRBDF-LLVKDONJSA-N 0 0 272.348 3.110 20 10 CGCDRN CC[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000806141288 626766869 /nfs/dbraw/zinc/76/68/69/626766869.db2.gz HUOTXBBUGZXIEB-WFASDCNBSA-N 0 0 296.842 3.428 20 10 CGCDRN CC(C)[C@H]1CN(C(=O)C2=CC(=O)CS2)[C@H]1C(C)C ZINC000839782608 626787962 /nfs/dbraw/zinc/78/79/62/626787962.db2.gz NCJSBGVPROFQEK-YPMHNXCESA-N 0 0 267.394 3.206 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757654227 626797504 /nfs/dbraw/zinc/79/75/04/626797504.db2.gz CHZOVJDUBWWVPZ-CMPLNLGQSA-N 0 0 296.392 3.237 20 10 CGCDRN CC(C)(CNC(=O)c1c(F)ccc(O)c1O)C1=CCCC1 ZINC000839790763 626815939 /nfs/dbraw/zinc/81/59/39/626815939.db2.gz GCIUXPXJLYYKQI-UHFFFAOYSA-N 0 0 293.338 3.103 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC2(Cl)Cl)cc1F ZINC000758143423 626830417 /nfs/dbraw/zinc/83/04/17/626830417.db2.gz WUTZDUIJSBINGT-QMMMGPOBSA-N 0 0 278.154 3.464 20 10 CGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1cc(F)ccc1F ZINC000758548372 626848858 /nfs/dbraw/zinc/84/88/58/626848858.db2.gz RUHOWHPKXFSDAZ-MRVPVSSYSA-N 0 0 294.253 3.294 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCC1CCCC1 ZINC000759593886 626907947 /nfs/dbraw/zinc/90/79/47/626907947.db2.gz KAJNABSERGFWIZ-VURMDHGXSA-N 0 0 276.332 3.235 20 10 CGCDRN O=C(NCc1ccccc1O)c1cnc2ccc(F)cc2c1 ZINC000759607285 626908729 /nfs/dbraw/zinc/90/87/29/626908729.db2.gz AXNKSTHOKNQWAS-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC12CCC2 ZINC000759760930 626919996 /nfs/dbraw/zinc/91/99/96/626919996.db2.gz FWBCJJOOFFOVTI-QGZVFWFLSA-N 0 0 298.430 3.483 20 10 CGCDRN Cc1cnc(CN(C)c2ccc(OC(C)C)cc2)nc1 ZINC000759927965 626932115 /nfs/dbraw/zinc/93/21/15/626932115.db2.gz KAIPNWGLJGWEMJ-UHFFFAOYSA-N 0 0 271.364 3.209 20 10 CGCDRN CCC1(CNC(=O)NCc2ccccc2O)CCCC1 ZINC000760836048 626994654 /nfs/dbraw/zinc/99/46/54/626994654.db2.gz IVVXFRVSRHUDDM-UHFFFAOYSA-N 0 0 276.380 3.162 20 10 CGCDRN COc1cc(Cl)cc(CN2CC[C@H](C)[C@H](F)C2)c1O ZINC000761215605 627026297 /nfs/dbraw/zinc/02/62/97/627026297.db2.gz HAKJQUMONBNUJF-JOYOIKCWSA-N 0 0 287.762 3.234 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C=C2CCCC2)c1 ZINC000762806704 627125181 /nfs/dbraw/zinc/12/51/81/627125181.db2.gz UOYMHLSDIBMXJI-LLVKDONJSA-N 0 0 275.348 3.078 20 10 CGCDRN Cc1ccc(F)c(NC(=S)NCc2ccc(F)cn2)c1 ZINC000763165645 627142736 /nfs/dbraw/zinc/14/27/36/627142736.db2.gz REXOVXPJNOWSPU-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN C[C@@H](C(=O)NCc1ccccc1O)c1c(F)cccc1F ZINC000764067225 627192746 /nfs/dbraw/zinc/19/27/46/627192746.db2.gz GVFLWYRJBDZEQI-SNVBAGLBSA-N 0 0 291.297 3.090 20 10 CGCDRN O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1ccccc1O ZINC000765866759 627275376 /nfs/dbraw/zinc/27/53/76/627275376.db2.gz HIRHOQBSEBYFGL-SOFGYWHQSA-N 0 0 292.338 3.203 20 10 CGCDRN CCc1cc(C)nc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000766064218 627292055 /nfs/dbraw/zinc/29/20/55/627292055.db2.gz INFCKCIDEUWABE-UHFFFAOYSA-N 0 0 296.418 3.342 20 10 CGCDRN CC/C=C\CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000767298383 627397201 /nfs/dbraw/zinc/39/72/01/627397201.db2.gz MIFYQFSUEMSHRH-PLNGDYQASA-N 0 0 274.408 3.174 20 10 CGCDRN O=C(OCCC(Cl)(Cl)Cl)C1=CC(=O)CS1 ZINC000767536758 627415864 /nfs/dbraw/zinc/41/58/64/627415864.db2.gz JWZVTOLFRDOZEH-UHFFFAOYSA-N 0 0 289.567 3.371 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2csnn2)cc1 ZINC000768208587 627468942 /nfs/dbraw/zinc/46/89/42/627468942.db2.gz UVWXTIURNMNBCK-UHFFFAOYSA-N 0 0 290.436 3.016 20 10 CGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)CC(C)(C)C1 ZINC000768737139 627495605 /nfs/dbraw/zinc/49/56/05/627495605.db2.gz LIWMXKOEQCSREO-UHFFFAOYSA-N 0 0 267.394 3.352 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c(O)c1O ZINC000770502557 627623407 /nfs/dbraw/zinc/62/34/07/627623407.db2.gz NQLITNAVSMCTHL-OLZOCXBDSA-N 0 0 299.370 3.328 20 10 CGCDRN COc1cc(F)c([N+](=O)[O-])c(NCc2ccccc2O)c1 ZINC000771184417 627688752 /nfs/dbraw/zinc/68/87/52/627688752.db2.gz LJLNWAOCNKRFER-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccncc1 ZINC000771617681 627723488 /nfs/dbraw/zinc/72/34/88/627723488.db2.gz FJDKHQVPHITTRU-UHFFFAOYSA-N 0 0 254.333 3.043 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000772993866 627838572 /nfs/dbraw/zinc/83/85/72/627838572.db2.gz IVFQIZNVNAYEAX-FUHWJXTLSA-N 0 0 288.435 3.359 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000772993869 627839002 /nfs/dbraw/zinc/83/90/02/627839002.db2.gz IVFQIZNVNAYEAX-SJLPKXTDSA-N 0 0 288.435 3.359 20 10 CGCDRN Cc1ncsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773001422 627840024 /nfs/dbraw/zinc/84/00/24/627840024.db2.gz UIINLXTXCIUWBV-SNVBAGLBSA-N 0 0 289.404 3.009 20 10 CGCDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773009803 627841316 /nfs/dbraw/zinc/84/13/16/627841316.db2.gz RDPPSFQXCWCIRK-ZDUSSCGKSA-N 0 0 298.386 3.252 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773017353 627843068 /nfs/dbraw/zinc/84/30/68/627843068.db2.gz VKWOQAYZJIUJFA-GFCCVEGCSA-N 0 0 286.350 3.383 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1(F)CCCC1 ZINC000773340106 627874628 /nfs/dbraw/zinc/87/46/28/627874628.db2.gz LOSZJFYBAZRFJJ-UHFFFAOYSA-N 0 0 279.355 3.413 20 10 CGCDRN C[C@H](NC(=O)NCCC1CCC1)c1ccc(N(C)C)cc1 ZINC000773375783 627876402 /nfs/dbraw/zinc/87/64/02/627876402.db2.gz LXKVGDFCJZSYQM-ZDUSSCGKSA-N 0 0 289.423 3.303 20 10 CGCDRN C[C@H](NC(=O)N(C)CCC1CC1)c1ccc(N(C)C)cc1 ZINC000773627480 627901666 /nfs/dbraw/zinc/90/16/66/627901666.db2.gz XZIAQQWHKGVGOX-ZDUSSCGKSA-N 0 0 289.423 3.255 20 10 CGCDRN C[C@@H](CC1CCCCC1)NC(=O)c1cccc(O)c1O ZINC000773756686 627911400 /nfs/dbraw/zinc/91/14/00/627911400.db2.gz XDFBLWVLIOMVBQ-NSHDSACASA-N 0 0 277.364 3.187 20 10 CGCDRN COc1cccc(CNc2cnn(CC(C)C)c2C)c1O ZINC000774823938 628034856 /nfs/dbraw/zinc/03/48/56/628034856.db2.gz PMLDSJOPRISULJ-UHFFFAOYSA-N 0 0 289.379 3.174 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2cc[nH]c21 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CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)coc2C)c1 ZINC000786410106 628931130 /nfs/dbraw/zinc/93/11/30/628931130.db2.gz QAQMSFUSPZXETN-SNVBAGLBSA-N 0 0 289.331 3.102 20 10 CGCDRN CCOc1ccc(O)c(CN[C@@H](CC)C(F)(F)F)c1 ZINC000786836954 628966729 /nfs/dbraw/zinc/96/67/29/628966729.db2.gz QMIFKXMVTICHKX-LBPRGKRZSA-N 0 0 277.286 3.221 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCC(C)(C)OC ZINC000787161793 628996314 /nfs/dbraw/zinc/99/63/14/628996314.db2.gz GJSVBTRGOVBPRZ-UHFFFAOYSA-N 0 0 263.381 3.263 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)C2CCCCC2)cc1F ZINC000789332429 629124908 /nfs/dbraw/zinc/12/49/08/629124908.db2.gz WVFIYZAXQDFFQO-OAHLLOKOSA-N 0 0 281.371 3.212 20 10 CGCDRN CCN(CC)c1ccc(CNCc2ncc(C)o2)cc1F ZINC000789559894 629145166 /nfs/dbraw/zinc/14/51/66/629145166.db2.gz YNRSELBCTBJOLA-UHFFFAOYSA-N 0 0 291.370 3.258 20 10 CGCDRN Cc1cccc([C@@H](C)NC(=O)c2cccc(O)c2O)c1C ZINC000790727425 629226881 /nfs/dbraw/zinc/22/68/81/629226881.db2.gz VHNBZFQZFXVDDP-GFCCVEGCSA-N 0 0 285.343 3.206 20 10 CGCDRN CC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCOCC1 ZINC000790972813 629244937 /nfs/dbraw/zinc/24/49/37/629244937.db2.gz HRVYMEKEVVMHNQ-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCSC1 ZINC000790973601 629245004 /nfs/dbraw/zinc/24/50/04/629245004.db2.gz OOZAIIPKJIMDKD-MRVPVSSYSA-N 0 0 275.776 3.170 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(F)cn1 ZINC000790977427 629245370 /nfs/dbraw/zinc/24/53/70/629245370.db2.gz LSJUVNLZUDFETK-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN CN(C)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1 ZINC000791413897 629274064 /nfs/dbraw/zinc/27/40/64/629274064.db2.gz UBNAENNJPMLMHQ-UHFFFAOYSA-N 0 0 272.304 3.240 20 10 CGCDRN CCO[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862212289 629323565 /nfs/dbraw/zinc/32/35/65/629323565.db2.gz NUSAREOFOZXFCW-CYBMUJFWSA-N 0 0 298.377 3.032 20 10 CGCDRN CN(C)c1cc(F)c(CN(C)Cc2ccco2)cc1F ZINC000862213219 629324034 /nfs/dbraw/zinc/32/40/34/629324034.db2.gz PECJVMSLHFYTNR-UHFFFAOYSA-N 0 0 280.318 3.256 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792961409 629396919 /nfs/dbraw/zinc/39/69/19/629396919.db2.gz WRRIRRSDNMJMSZ-NWDGAFQWSA-N 0 0 294.395 3.025 20 10 CGCDRN O=C(/C=C/c1cccnc1)N1CCc2c1cccc2Cl ZINC000119027134 629420298 /nfs/dbraw/zinc/42/02/98/629420298.db2.gz ZXCLUDILBMHCSK-VOTSOKGWSA-N 0 0 284.746 3.338 20 10 CGCDRN CC1(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793197219 629426654 /nfs/dbraw/zinc/42/66/54/629426654.db2.gz DAJSZYUIGGTEJK-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCC2(F)F)c1 ZINC000862754963 629429185 /nfs/dbraw/zinc/42/91/85/629429185.db2.gz MHKPYSPOCXUQJB-LBPRGKRZSA-N 0 0 283.318 3.142 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C2\CC[C@H](C)C2)c1 ZINC000862758292 629430952 /nfs/dbraw/zinc/43/09/52/629430952.db2.gz VXUVJNXBCSEOPT-GJSJWPQCSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1ccc([C@H](C)C(=O)NCc2cc(C)ccc2O)o1 ZINC000862759830 629431154 /nfs/dbraw/zinc/43/11/54/629431154.db2.gz JBRMPWDFCTVRAS-LBPRGKRZSA-N 0 0 273.332 3.022 20 10 CGCDRN Cc1ccncc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000793335904 629445129 /nfs/dbraw/zinc/44/51/29/629445129.db2.gz IZEHHYICNBZEHT-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN Cc1cc(CNC(=O)C(F)F)c(C)n1-c1cccc(C)c1 ZINC000863162347 629486582 /nfs/dbraw/zinc/48/65/82/629486582.db2.gz FNYMZLBWVGFHFK-UHFFFAOYSA-N 0 0 292.329 3.284 20 10 CGCDRN C/C=C/CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000875876985 634742864 /nfs/dbraw/zinc/74/28/64/634742864.db2.gz WDELVJKZQDSQIZ-VOTSOKGWSA-N 0 0 289.423 3.249 20 10 CGCDRN COc1ccc(CNC(=O)c2csc(Cl)c2)c(O)c1 ZINC000794380750 629538561 /nfs/dbraw/zinc/53/85/61/629538561.db2.gz INRRMVMCVIWQCH-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CCOc1ccc(CNc2ccc(NC)cc2)c(O)c1 ZINC000863481612 629586966 /nfs/dbraw/zinc/58/69/66/629586966.db2.gz KIRWZMIWTCXXAV-UHFFFAOYSA-N 0 0 272.348 3.445 20 10 CGCDRN C/C=C/C[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000863816386 629677308 /nfs/dbraw/zinc/67/73/08/629677308.db2.gz DAEOJAARWMIJTN-OOPCZODUSA-N 0 0 289.375 3.225 20 10 CGCDRN 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CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC12CC2 ZINC000817525741 632181242 /nfs/dbraw/zinc/18/12/42/632181242.db2.gz UNLUMNDUJZUADK-MRXNPFEDSA-N 0 0 284.403 3.093 20 10 CGCDRN C[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571769 632184866 /nfs/dbraw/zinc/18/48/66/632184866.db2.gz TZCUWRCBJNHOAG-NSHDSACASA-N 0 0 269.772 3.090 20 10 CGCDRN CN1C(=O)/C(=C\c2cccc(C3CC3)c2)SC1=S ZINC000817708337 632202638 /nfs/dbraw/zinc/20/26/38/632202638.db2.gz WVJURRLIFRESAD-XYOKQWHBSA-N 0 0 275.398 3.395 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc12 ZINC000817761625 632223603 /nfs/dbraw/zinc/22/36/03/632223603.db2.gz NKKJTSRDMUACNG-KBRIMQKVSA-N 0 0 299.370 3.126 20 10 CGCDRN CC(C)Cn1ncc(C(=O)Nc2ccc(N)cc2)c1C1CC1 ZINC000818556334 632334223 /nfs/dbraw/zinc/33/42/23/632334223.db2.gz MRGPOHIICJPKEJ-UHFFFAOYSA-N 0 0 298.390 3.251 20 10 CGCDRN CCCn1ncc(C(=O)Nc2ccc(N)cc2)c1C1CC1 ZINC000818556215 632334289 /nfs/dbraw/zinc/33/42/89/632334289.db2.gz BHLWAKDAFWIEIU-UHFFFAOYSA-N 0 0 284.363 3.005 20 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296.461 3.178 20 10 CGCDRN CC(C)[C@@H](C)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000823524343 633116862 /nfs/dbraw/zinc/11/68/62/633116862.db2.gz REQZQLVNADSOHA-SECBINFHSA-N 0 0 253.367 3.103 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1ccc(F)cc1[O-] ZINC000866446535 633136078 /nfs/dbraw/zinc/13/60/78/633136078.db2.gz FOJHCVDJZPVQKT-TXFQPVFDSA-N 0 0 267.344 3.138 20 10 CGCDRN COc1cc(C)cc(C(=O)N(C)Cc2ccccc2O)c1C ZINC000866597349 633205770 /nfs/dbraw/zinc/20/57/70/633205770.db2.gz RDMKSTIFLVHPJE-UHFFFAOYSA-N 0 0 299.370 3.290 20 10 CGCDRN CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC000824290659 633224537 /nfs/dbraw/zinc/22/45/37/633224537.db2.gz QLJCTRZITMYEMA-UHFFFAOYSA-N 0 0 276.340 3.110 20 10 CGCDRN c1cn2c(n1)[C@@H](NCc1ccc(N3CCCCC3)cc1)CC2 ZINC000824521111 633252273 /nfs/dbraw/zinc/25/22/73/633252273.db2.gz FXUKXBVPHGJBFZ-KRWDZBQOSA-N 0 0 296.418 3.108 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000867968468 633282369 /nfs/dbraw/zinc/28/23/69/633282369.db2.gz 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C[C@@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1ccccc1O ZINC000827937114 633536390 /nfs/dbraw/zinc/53/63/90/633536390.db2.gz LEZJVIOVMKVUBK-NQJDNNLISA-N 0 0 259.349 3.316 20 10 CGCDRN CC(C)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000827940694 633537675 /nfs/dbraw/zinc/53/76/75/633537675.db2.gz HXMFRVBADIIWOD-GFCCVEGCSA-N 0 0 284.359 3.402 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCCCC(=O)C1)c1ccccc1O ZINC000827947044 633538810 /nfs/dbraw/zinc/53/88/10/633538810.db2.gz ZJSPJFXULKBPAA-CHWSQXEVSA-N 0 0 289.375 3.109 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000827952527 633539678 /nfs/dbraw/zinc/53/96/78/633539678.db2.gz WPBKZEYSLGRUFT-CDHAZOANSA-N 0 0 299.345 3.454 20 10 CGCDRN C[C@H](NC(=O)C1CC2(CC2(F)F)C1)c1ccccc1O ZINC000827960441 633540994 /nfs/dbraw/zinc/54/09/94/633540994.db2.gz PFPSQXOIMORSSZ-IPWFMCSPSA-N 0 0 281.302 3.005 20 10 CGCDRN Cc1cccc(COCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827960840 633541144 /nfs/dbraw/zinc/54/11/44/633541144.db2.gz XSRMTQNLHSKWLW-AWEZNQCLSA-N 0 0 299.370 3.095 20 10 CGCDRN CCCC[C@](C)(F)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960468 633541537 /nfs/dbraw/zinc/54/15/37/633541537.db2.gz PRZQYAWFWPICEV-NHYWBVRUSA-N 0 0 267.344 3.488 20 10 CGCDRN C[C@H](NC(=O)CCOCc1ccccc1)c1ccccc1O ZINC000827978357 633544023 /nfs/dbraw/zinc/54/40/23/633544023.db2.gz QJNSSTSUMBKLLZ-AWEZNQCLSA-N 0 0 299.370 3.176 20 10 CGCDRN Cc1noc(C(C)C)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827982158 633544056 /nfs/dbraw/zinc/54/40/56/633544056.db2.gz MLORBCXTKPAPBT-JTQLQIEISA-N 0 0 288.347 3.303 20 10 CGCDRN C[C@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1O ZINC000827982201 633544326 /nfs/dbraw/zinc/54/43/26/633544326.db2.gz NYCRHSCYJFQZLN-NSHDSACASA-N 0 0 271.360 3.316 20 10 CGCDRN C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccccc1O ZINC000827982603 633544948 /nfs/dbraw/zinc/54/49/48/633544948.db2.gz ZIDRBIIEAHYPQU-ZDUSSCGKSA-N 0 0 281.355 3.301 20 10 CGCDRN CC(C)[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000828535293 633625643 /nfs/dbraw/zinc/62/56/43/633625643.db2.gz QXNWMZQTJSNINR-WWGRRREGSA-N 0 0 291.391 3.021 20 10 CGCDRN CC(C)[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000828539584 633626593 /nfs/dbraw/zinc/62/65/93/633626593.db2.gz QXNWMZQTJSNINR-WOSRLPQWSA-N 0 0 291.391 3.021 20 10 CGCDRN C[C@@H](NC(=O)CC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000828860331 633662812 /nfs/dbraw/zinc/66/28/12/633662812.db2.gz BMSNDZZJNZSYQJ-LLVKDONJSA-N 0 0 296.361 3.365 20 10 CGCDRN Cc1ccc(O[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199482 633722894 /nfs/dbraw/zinc/72/28/94/633722894.db2.gz QELZOAGRYYYBRP-CYBMUJFWSA-N 0 0 297.354 3.010 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205730 633725025 /nfs/dbraw/zinc/72/50/25/633725025.db2.gz XLCUGRJUQSRUEO-TZMCWYRMSA-N 0 0 273.376 3.451 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1C ZINC000871205138 633725390 /nfs/dbraw/zinc/72/53/90/633725390.db2.gz OWHPZAKTNHJVLA-AGIUHOORSA-N 0 0 273.376 3.307 20 10 CGCDRN O=C([C@H]1C[C@H]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871206151 633726077 /nfs/dbraw/zinc/72/60/77/633726077.db2.gz UATNZVZOHMSGKB-KBPBESRZSA-N 0 0 271.360 3.061 20 10 CGCDRN COC(=O)c1cnc(SC[C@H]2CC2(Cl)Cl)s1 ZINC000829692821 633766053 /nfs/dbraw/zinc/76/60/53/633766053.db2.gz TWDVUKRVHHQOTP-RXMQYKEDSA-N 0 0 298.216 3.216 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)cc1C ZINC000871877393 633907356 /nfs/dbraw/zinc/90/73/56/633907356.db2.gz ICWWYYOWEKDVBD-HNNXBMFYSA-N 0 0 293.407 3.373 20 10 CGCDRN Nc1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000019263353 633917224 /nfs/dbraw/zinc/91/72/24/633917224.db2.gz SHVZOPOOEBYBGY-UHFFFAOYSA-N 0 0 297.177 3.345 20 10 CGCDRN CC(C)c1ncc(/C=C2/SC(=S)N(C)C2=O)s1 ZINC000123900438 633931356 /nfs/dbraw/zinc/93/13/56/633931356.db2.gz DEOBOSRDGKBRPI-XBXARRHUSA-N 0 0 284.431 3.098 20 10 CGCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC000831240974 633933057 /nfs/dbraw/zinc/93/30/57/633933057.db2.gz LYVOPVFMSZCIAZ-UHFFFAOYSA-N 0 0 280.371 3.136 20 10 CGCDRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000831406171 633954631 /nfs/dbraw/zinc/95/46/31/633954631.db2.gz KZGWHHLUFKRGHS-CJNGLKHVSA-N 0 0 274.408 3.239 20 10 CGCDRN COc1ccc(N(Cc2cc(C)on2)CC2CC2)cc1 ZINC000831582685 633979134 /nfs/dbraw/zinc/97/91/34/633979134.db2.gz CHXOYSBGTHDKLR-UHFFFAOYSA-N 0 0 272.348 3.408 20 10 CGCDRN C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(Cl)cc1[O-] ZINC000846210227 636159427 /nfs/dbraw/zinc/15/94/27/636159427.db2.gz LTLKZBSRYPERPA-LLVKDONJSA-N 0 0 283.799 3.249 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000872126605 634048573 /nfs/dbraw/zinc/04/85/73/634048573.db2.gz MOWSWLYRDQRNCW-IWSPIJDZSA-N 0 0 290.190 3.121 20 10 CGCDRN COc1ccc2c(c1NC(=O)C1=CC(=O)CS1)CCC2 ZINC000834339414 634148156 /nfs/dbraw/zinc/14/81/56/634148156.db2.gz CFOFOGXIODPOQL-UHFFFAOYSA-N 0 0 289.356 3.203 20 10 CGCDRN CCCOc1ccc(CNC(CF)CF)cc1C ZINC000873129362 634252617 /nfs/dbraw/zinc/25/26/17/634252617.db2.gz NVOYCFYQOOUQSQ-UHFFFAOYSA-N 0 0 257.324 3.181 20 10 CGCDRN CCOc1ccc(O)c(CNc2cc(C)cc(N)c2)c1 ZINC000873217656 634287256 /nfs/dbraw/zinc/28/72/56/634287256.db2.gz NSVJJQUXVAFKBP-UHFFFAOYSA-N 0 0 272.348 3.294 20 10 CGCDRN CN(C)c1ccc(/C=C\CN(C)Cc2cscn2)cc1 ZINC000835029167 634325995 /nfs/dbraw/zinc/32/59/95/634325995.db2.gz VMLULSDUNZBRNF-PLNGDYQASA-N 0 0 287.432 3.354 20 10 CGCDRN CCc1nc(CNC/C=C\c2ccc(N(C)C)cc2)co1 ZINC000835054323 634338412 /nfs/dbraw/zinc/33/84/12/634338412.db2.gz KAOZSVINNLDYTL-WAYWQWQTSA-N 0 0 285.391 3.106 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2cc3n(n2)CCCC3)cc1 ZINC000835054858 634339622 /nfs/dbraw/zinc/33/96/22/634339622.db2.gz ZXGGQZFGVKEQKM-WAYWQWQTSA-N 0 0 296.418 3.411 20 10 CGCDRN CC1(C)C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000835058705 634340981 /nfs/dbraw/zinc/34/09/81/634340981.db2.gz BMIRIQLGMKLZMF-NSHDSACASA-N 0 0 283.799 3.340 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000837015849 634842761 /nfs/dbraw/zinc/84/27/61/634842761.db2.gz OULJZPXTKMCKRU-HNNXBMFYSA-N 0 0 299.326 3.058 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2C2CC2)ccc(F)c1F ZINC000876689364 634881934 /nfs/dbraw/zinc/88/19/34/634881934.db2.gz CKKCZVRKEIDGBV-GFCCVEGCSA-N 0 0 253.292 3.045 20 10 CGCDRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(O)c1O ZINC000126202363 634918741 /nfs/dbraw/zinc/91/87/41/634918741.db2.gz DRDRDZYMGOKNSW-UHFFFAOYSA-N 0 0 297.232 3.369 20 10 CGCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCC[C@H]1C ZINC000876931670 634930806 /nfs/dbraw/zinc/93/08/06/634930806.db2.gz RHLONCYIMIQWMX-VXGBXAGGSA-N 0 0 298.377 3.023 20 10 CGCDRN CC(C)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000126241055 634933474 /nfs/dbraw/zinc/93/34/74/634933474.db2.gz NXEQCGKBGOVEHV-UHFFFAOYSA-N 0 0 271.316 3.474 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000876959623 634937270 /nfs/dbraw/zinc/93/72/70/634937270.db2.gz WNDSKCPISHKILD-AWEZNQCLSA-N 0 0 293.313 3.148 20 10 CGCDRN CCCCCC[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126305612 634957320 /nfs/dbraw/zinc/95/73/20/634957320.db2.gz HFEJRLIRAJBPAV-NSHDSACASA-N 0 0 265.353 3.187 20 10 CGCDRN CN(C(=O)CC(C)(C)C(F)(F)F)c1ccc(N)cc1 ZINC000877075843 634973800 /nfs/dbraw/zinc/97/38/00/634973800.db2.gz JLTLPEQHTMLWAH-UHFFFAOYSA-N 0 0 274.286 3.210 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077162 634974445 /nfs/dbraw/zinc/97/44/45/634974445.db2.gz YGZMPDLKPARHQO-IUODEOHRSA-N 0 0 260.381 3.448 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H]2C)cc1 ZINC000837726540 634974613 /nfs/dbraw/zinc/97/46/13/634974613.db2.gz LIFBKNYABSUFMB-ZIAGYGMSSA-N 0 0 289.423 3.083 20 10 CGCDRN CN(C(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccc(N)cc1 ZINC000877076640 634974766 /nfs/dbraw/zinc/97/47/66/634974766.db2.gz SFYSESGUUJZQCE-HOTGVXAUSA-N 0 0 272.392 3.448 20 10 CGCDRN CCS[C@H](C(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877078270 634975829 /nfs/dbraw/zinc/97/58/29/634975829.db2.gz KIWCAWQKXPFVCV-ZDUSSCGKSA-N 0 0 266.410 3.009 20 10 CGCDRN CN(C(=O)c1ccccc1OC1CCC1)c1ccc(N)cc1 ZINC000877078459 634975740 /nfs/dbraw/zinc/97/57/40/634975740.db2.gz QDNZVIWVBOBFQN-UHFFFAOYSA-N 0 0 296.370 3.477 20 10 CGCDRN Cc1cccc(O)c1CNCc1nnc(C(C)(C)C)s1 ZINC000877084847 634979389 /nfs/dbraw/zinc/97/93/89/634979389.db2.gz OMTZSFZPAMGNEU-UHFFFAOYSA-N 0 0 291.420 3.139 20 10 CGCDRN Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877111911 634986837 /nfs/dbraw/zinc/98/68/37/634986837.db2.gz OOXDZDIMRNHUJE-QMMMGPOBSA-N 0 0 296.317 3.169 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCC[C@@H]2CCO2)cc1 ZINC000877478052 635051988 /nfs/dbraw/zinc/05/19/88/635051988.db2.gz KWQOISMDYNUCCE-OAHLLOKOSA-N 0 0 263.381 3.479 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCC[C@H]2CCO2)cc1 ZINC000877478051 635052347 /nfs/dbraw/zinc/05/23/47/635052347.db2.gz KWQOISMDYNUCCE-HNNXBMFYSA-N 0 0 263.381 3.479 20 10 CGCDRN Cc1cc(N(C)C)ccc1[C@H]1Nc2ccccc2C(=O)N1C ZINC000840786197 635052410 /nfs/dbraw/zinc/05/24/10/635052410.db2.gz ZBTSCNVOBUQPLO-KRWDZBQOSA-N 0 0 295.386 3.257 20 10 CGCDRN Cc1ccc(CNc2ccc(C(=O)N(C)C)c(C)c2)c(O)c1 ZINC000877479968 635052548 /nfs/dbraw/zinc/05/25/48/635052548.db2.gz YZWPRCKHIJRELN-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccc(F)cc1[O-] ZINC000840836230 635061087 /nfs/dbraw/zinc/06/10/87/635061087.db2.gz WCFGSVISOKFNNA-SMDDNHRTSA-N 0 0 269.360 3.245 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ccc(C)c(C)n2)cc1 ZINC000840844765 635063066 /nfs/dbraw/zinc/06/30/66/635063066.db2.gz TXVXTVBOEJIZCT-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN C[C@H]1CC(CC[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000877504364 635064547 /nfs/dbraw/zinc/06/45/47/635064547.db2.gz DJNAZKBTHVCQFM-QWRGUYRKSA-N 0 0 299.361 3.354 20 10 CGCDRN COC1([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000840883946 635073606 /nfs/dbraw/zinc/07/36/06/635073606.db2.gz HTTUDTWHPBXOQC-NXEZZACHSA-N 0 0 285.334 3.279 20 10 CGCDRN Cc1cc(O)c(CNc2cc(C)c(C)nn2)c(Cl)c1 ZINC000840885165 635074267 /nfs/dbraw/zinc/07/42/67/635074267.db2.gz UWIKRNXWSLCEAI-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN CC[C@@H](N[C@H](C)c1csnn1)c1ccc(N(C)C)cc1 ZINC000840885335 635074382 /nfs/dbraw/zinc/07/43/82/635074382.db2.gz CCSKNPBBPDCZJY-BXUZGUMPSA-N 0 0 290.436 3.406 20 10 CGCDRN CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)C(C)C ZINC000840967569 635096300 /nfs/dbraw/zinc/09/63/00/635096300.db2.gz HRWZYCVZGYOPRK-SMDDNHRTSA-N 0 0 289.778 3.070 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C1(O)CCCC1 ZINC000877574591 635099543 /nfs/dbraw/zinc/09/95/43/635099543.db2.gz OGLPYFFKNSZWMO-UHFFFAOYSA-N 0 0 299.361 3.091 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC000840998821 635101535 /nfs/dbraw/zinc/10/15/35/635101535.db2.gz VOHPYKSNLIKQRX-AWEZNQCLSA-N 0 0 293.407 3.373 20 10 CGCDRN Cc1c(NCc2ccc(C)cc2O)n[nH]c1C(C)C ZINC000877606044 635108624 /nfs/dbraw/zinc/10/86/24/635108624.db2.gz MZCYRHOXPVDKLI-UHFFFAOYSA-N 0 0 259.353 3.468 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCCC[C@@H]2F)ccc(F)c1F ZINC000877682030 635143361 /nfs/dbraw/zinc/14/33/61/635143361.db2.gz FLEYQCUCUWWBQM-GXSJLCMTSA-N 0 0 259.271 3.041 20 10 CGCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)CC1(C)C ZINC000841296801 635148858 /nfs/dbraw/zinc/14/88/58/635148858.db2.gz ZDGIIIAPVIDLNI-LLVKDONJSA-N 0 0 261.369 3.169 20 10 CGCDRN CCN(C(=O)Nc1ccc(N)cc1)[C@H](C)c1cccnc1 ZINC000841300284 635149505 /nfs/dbraw/zinc/14/95/05/635149505.db2.gz OYBQBDGPCPRYAE-GFCCVEGCSA-N 0 0 284.363 3.279 20 10 CGCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@@H]1c1cccnc1 ZINC000841299718 635150005 /nfs/dbraw/zinc/15/00/05/635150005.db2.gz MUVQOUUVKNWGEZ-OAHLLOKOSA-N 0 0 296.374 3.279 20 10 CGCDRN CO[C@@H](C[N@@H+]1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000877702617 635154078 /nfs/dbraw/zinc/15/40/78/635154078.db2.gz DYKZDUIRHYMGJK-KRWDZBQOSA-N 0 0 275.392 3.303 20 10 CGCDRN COCc1cc(NCc2cc(F)ccc2O)ccc1OC ZINC000877703146 635154913 /nfs/dbraw/zinc/15/49/13/635154913.db2.gz TUYRHAKITCGDMI-UHFFFAOYSA-N 0 0 291.322 3.298 20 10 CGCDRN Cc1c(CN2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000877703270 635155049 /nfs/dbraw/zinc/15/50/49/635155049.db2.gz ZDLHYEYJUCESOP-UHFFFAOYSA-N 0 0 284.315 3.125 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877739388 635173946 /nfs/dbraw/zinc/17/39/46/635173946.db2.gz SBEOAAUJJGPGMU-VXGBXAGGSA-N 0 0 283.824 3.231 20 10 CGCDRN COc1ccc(O)c(CN[C@@H](CF)c2ccc(F)cc2)c1 ZINC000877758501 635187694 /nfs/dbraw/zinc/18/76/94/635187694.db2.gz FVHTXMHLMYODTD-HNNXBMFYSA-N 0 0 293.313 3.340 20 10 CGCDRN Cc1nnc(CN[C@H](C)c2ccc(Cl)cc2O)s1 ZINC000841753694 635226868 /nfs/dbraw/zinc/22/68/68/635226868.db2.gz NHOGPABUZJJAPP-SSDOTTSWSA-N 0 0 283.784 3.056 20 10 CGCDRN CCC[C@@H](C)C[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841802972 635236652 /nfs/dbraw/zinc/23/66/52/635236652.db2.gz NTNNSHHADLRURA-IUODEOHRSA-N 0 0 293.407 3.373 20 10 CGCDRN CC(C)[C@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841957364 635252797 /nfs/dbraw/zinc/25/27/97/635252797.db2.gz IQPVXCPLOXIIRO-ZDUSSCGKSA-N 0 0 289.423 3.030 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955122 635252810 /nfs/dbraw/zinc/25/28/10/635252810.db2.gz VBFGQEIDBLJKTR-ZIAGYGMSSA-N 0 0 289.423 3.031 20 10 CGCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000842913589 635511845 /nfs/dbraw/zinc/51/18/45/635511845.db2.gz CHEYGFJCRQWUAB-UMNHJUIQSA-N 0 0 287.350 3.118 20 10 CGCDRN CC[C@H](N[C@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000842926306 635513423 /nfs/dbraw/zinc/51/34/23/635513423.db2.gz VONIQYIMNYCONM-MFKMUULPSA-N 0 0 297.370 3.302 20 10 CGCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCCC[C@H]1C ZINC000843488938 635679744 /nfs/dbraw/zinc/67/97/44/635679744.db2.gz XWUSVDGRQLZLSL-CZUORRHYSA-N 0 0 274.408 3.239 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(F)CC1 ZINC000843758508 635776356 /nfs/dbraw/zinc/77/63/56/635776356.db2.gz RJBFEYWNOVGBGA-UHFFFAOYSA-N 0 0 290.382 3.137 20 10 CGCDRN O=C(NCc1ccccc1O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000843833859 635786752 /nfs/dbraw/zinc/78/67/52/635786752.db2.gz XXOMJYHMGIVQMV-HUUCEWRRSA-N 0 0 273.376 3.225 20 10 CGCDRN C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1ccccc1O ZINC000879648522 635825694 /nfs/dbraw/zinc/82/56/94/635825694.db2.gz RZTUDDXZTFPFBK-LLVKDONJSA-N 0 0 272.348 3.110 20 10 CGCDRN C[C@@H](N[C@@H](C(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000879649640 635826259 /nfs/dbraw/zinc/82/62/59/635826259.db2.gz AHWGMXOJZVEVCB-IAQYHMDHSA-N 0 0 291.391 3.163 20 10 CGCDRN CCOC(=O)[C@@H](CC(C)C)N[C@H](C)c1ccccc1O ZINC000879649311 635827048 /nfs/dbraw/zinc/82/70/48/635827048.db2.gz NADQIAVDTXZCBW-TZMCWYRMSA-N 0 0 279.380 3.021 20 10 CGCDRN COC(=O)[C@@H](N[C@@H](C)c1ccccc1O)c1ccsc1 ZINC000879650867 635827619 /nfs/dbraw/zinc/82/76/19/635827619.db2.gz UPQNTYPLMTYZHY-HZMBPMFUSA-N 0 0 291.372 3.019 20 10 CGCDRN COCc1ccc(CN(C)c2ccc(OC)cc2)cc1 ZINC000844355818 635878629 /nfs/dbraw/zinc/87/86/29/635878629.db2.gz UMMPFAWUBDIHCS-UHFFFAOYSA-N 0 0 271.360 3.478 20 10 CGCDRN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844751695 635959294 /nfs/dbraw/zinc/95/92/94/635959294.db2.gz COYPGHWGKHYHHK-TXEJJXNPSA-N 0 0 297.345 3.092 20 10 CGCDRN CC[C@H](C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844857176 635975148 /nfs/dbraw/zinc/97/51/48/635975148.db2.gz XPDHDQBTYOMHBZ-AWEZNQCLSA-N 0 0 292.423 3.026 20 10 CGCDRN CC[C@@H](C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844857181 635975195 /nfs/dbraw/zinc/97/51/95/635975195.db2.gz XPDHDQBTYOMHBZ-CQSZACIVSA-N 0 0 292.423 3.026 20 10 CGCDRN Nc1ccc(Cc2noc(/C=C/C3CCCC3)n2)cc1 ZINC000844905880 635980980 /nfs/dbraw/zinc/98/09/80/635980980.db2.gz IKUWDAKZCAQZTF-JXMROGBWSA-N 0 0 269.348 3.446 20 10 CGCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844922427 635985372 /nfs/dbraw/zinc/98/53/72/635985372.db2.gz FAAVVYPVIZPAGO-NXEZZACHSA-N 0 0 284.787 3.279 20 10 CGCDRN CCC1(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845026816 635999173 /nfs/dbraw/zinc/99/91/73/635999173.db2.gz MYNXQLYZDULIAA-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000845284565 636020392 /nfs/dbraw/zinc/02/03/92/636020392.db2.gz NLMIRAWVJGIJFQ-GIPNMCIBSA-N 0 0 294.782 3.033 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)COCC1CC1)c1ccc(F)cc1[O-] ZINC000846205177 636158487 /nfs/dbraw/zinc/15/84/87/636158487.db2.gz NRMNHPDIFNCMRH-IAQYHMDHSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+]C1(C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846206747 636158626 /nfs/dbraw/zinc/15/86/26/636158626.db2.gz HZQFWUUJLGVQLU-JTQLQIEISA-N 0 0 276.336 3.284 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC3(CCC3)C2)c1 ZINC000846215155 636160146 /nfs/dbraw/zinc/16/01/46/636160146.db2.gz YVFZOXPJMQOQFS-LLVKDONJSA-N 0 0 289.375 3.162 20 10 CGCDRN CCC/C(C)=C/C(=O)NCc1cc(Cl)ccc1O ZINC000846473550 636186871 /nfs/dbraw/zinc/18/68/71/636186871.db2.gz TYUZWOSXQPQBLH-JXMROGBWSA-N 0 0 267.756 3.408 20 10 CGCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC000846474029 636187878 /nfs/dbraw/zinc/18/78/78/636187878.db2.gz QOMHWGKNCGYYSM-MNOVXSKESA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1occ2c1CCC2 ZINC000846476541 636189013 /nfs/dbraw/zinc/18/90/13/636189013.db2.gz NGOMCCFIFBJLAJ-UHFFFAOYSA-N 0 0 291.734 3.057 20 10 CGCDRN CCCC[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846477134 636189027 /nfs/dbraw/zinc/18/90/27/636189027.db2.gz QBXDOSBNDIRXOJ-JTQLQIEISA-N 0 0 269.772 3.488 20 10 CGCDRN COc1ccc(O)c(CNC(=O)CCC[Si](C)(C)C)c1 ZINC000847591069 636401197 /nfs/dbraw/zinc/40/11/97/636401197.db2.gz OPPIIWSPVIRCPL-UHFFFAOYSA-N 0 0 295.455 3.135 20 10 CGCDRN Cc1nc(C)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000130204379 636432329 /nfs/dbraw/zinc/43/23/29/636432329.db2.gz RVMNDVFZPMZIAC-UHFFFAOYSA-N 0 0 289.448 3.458 20 10 CGCDRN COCc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882883615 636447340 /nfs/dbraw/zinc/44/73/40/636447340.db2.gz FVPHRBQFVXUFAV-UHFFFAOYSA-N 0 0 293.313 3.107 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N1CCCCCC1 ZINC000883116221 636544349 /nfs/dbraw/zinc/54/43/49/636544349.db2.gz RDBJSAAKDMODLR-UHFFFAOYSA-N 0 0 282.771 3.131 20 10 CGCDRN CC(C)[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883134801 636551232 /nfs/dbraw/zinc/55/12/32/636551232.db2.gz JRERWDQHJLVYDZ-IAQYHMDHSA-N 0 0 299.361 3.211 20 10 CGCDRN O=C(NCC[C@@H]1CCCC1(F)F)NCc1ccccc1O ZINC000883250304 636620945 /nfs/dbraw/zinc/62/09/45/636620945.db2.gz NNVNASSQOONXMG-LBPRGKRZSA-N 0 0 298.333 3.017 20 10 CGCDRN Cc1ccc([C@H](C)NC2(c3ncccn3)CCC2)c(O)c1 ZINC000883311665 636661863 /nfs/dbraw/zinc/66/18/63/636661863.db2.gz IJHHWHBBHSUGBA-ZDUSSCGKSA-N 0 0 283.375 3.221 20 10 CGCDRN CCc1cccc(CNc2nc(C)ccc2OC)c1O ZINC000848899489 636680509 /nfs/dbraw/zinc/68/05/09/636680509.db2.gz OXPWIFZLBMJGAD-UHFFFAOYSA-N 0 0 272.348 3.279 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(F)F)cc1 ZINC000883399586 636739302 /nfs/dbraw/zinc/73/93/02/636739302.db2.gz RELCVOZYHCDFGC-MNOVXSKESA-N 0 0 256.340 3.447 20 10 CGCDRN CCCCSCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000131734979 636745077 /nfs/dbraw/zinc/74/50/77/636745077.db2.gz IHPIOEGTLJNDGH-UHFFFAOYSA-N 0 0 294.464 3.292 20 10 CGCDRN CCOc1cccc(CN(C)c2ccccc2)c1O ZINC000131900601 636765027 /nfs/dbraw/zinc/76/50/27/636765027.db2.gz UMTAMZNTDNSKHB-UHFFFAOYSA-N 0 0 257.333 3.427 20 10 CGCDRN CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000085069842 636769445 /nfs/dbraw/zinc/76/94/45/636769445.db2.gz DODSMVOGBABAAD-SMDDNHRTSA-N 0 0 261.369 3.359 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(F)c(Cl)c1 ZINC000133131548 636875097 /nfs/dbraw/zinc/87/50/97/636875097.db2.gz DIUWUJMASIOZKZ-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN CC(C)CCNC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849998634 636924074 /nfs/dbraw/zinc/92/40/74/636924074.db2.gz HKBGFYSBLYWVRC-MRVPVSSYSA-N 0 0 292.857 3.439 20 10 CGCDRN CC(C)CNC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999023 636924312 /nfs/dbraw/zinc/92/43/12/636924312.db2.gz MKSLGOWDWSLDKE-ZETCQYMHSA-N 0 0 278.830 3.049 20 10 CGCDRN Oc1ccccc1CNc1ncnc2ccsc21 ZINC000133737015 636973321 /nfs/dbraw/zinc/97/33/21/636973321.db2.gz JDYSWNATWCHDOF-UHFFFAOYSA-N 0 0 257.318 3.009 20 10 CGCDRN CSc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000133774805 636976413 /nfs/dbraw/zinc/97/64/13/636976413.db2.gz ZNFGQWPXQUDUAN-UHFFFAOYSA-N 0 0 273.357 3.044 20 10 CGCDRN CC(C)c1scnc1C(=O)N(C)c1ccc(N)cc1 ZINC000884441900 637027435 /nfs/dbraw/zinc/02/74/35/637027435.db2.gz SAKPNKJWSSOPQP-UHFFFAOYSA-N 0 0 275.377 3.125 20 10 CGCDRN C[C@H]([NH2+]C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000134901488 637048216 /nfs/dbraw/zinc/04/82/16/637048216.db2.gz DHQDHRGAZHNGET-LURJTMIESA-N 0 0 274.133 3.107 20 10 CGCDRN CCOc1ccc(NCc2c(O)cccc2OC)nc1C ZINC000850411161 637053045 /nfs/dbraw/zinc/05/30/45/637053045.db2.gz PJKOUGGIWDJNBP-UHFFFAOYSA-N 0 0 288.347 3.115 20 10 CGCDRN COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000850505027 637093159 /nfs/dbraw/zinc/09/31/59/637093159.db2.gz KODJSKFNFMFYSS-LBPRGKRZSA-N 0 0 287.359 3.260 20 10 CGCDRN CC[C@@H]([NH2+]C/C=C\CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000850509979 637096126 /nfs/dbraw/zinc/09/61/26/637096126.db2.gz UTZUVXLYLQHPMQ-DLRQAJBASA-N 0 0 290.190 3.288 20 10 CGCDRN C[C@H]([NH2+]CCC(C)(C)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850531953 637109313 /nfs/dbraw/zinc/10/93/13/637109313.db2.gz OTZWWAPKRUZTPR-VIFPVBQESA-N 0 0 270.304 3.089 20 10 CGCDRN CC[C@H]([NH2+]CCc1ccoc1)c1ccc(F)cc1[O-] ZINC000850532534 637109513 /nfs/dbraw/zinc/10/95/13/637109513.db2.gz VIHVHMISMXNONA-AWEZNQCLSA-N 0 0 263.312 3.408 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850541310 637115090 /nfs/dbraw/zinc/11/50/90/637115090.db2.gz YFNYGTJLKUBITB-TVQRCGJNSA-N 0 0 264.325 3.140 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(Cl)c1[O-] ZINC000850545167 637116078 /nfs/dbraw/zinc/11/60/78/637116078.db2.gz MLGBXHHHZXMMBD-WFASDCNBSA-N 0 0 297.826 3.495 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000850553861 637119458 /nfs/dbraw/zinc/11/94/58/637119458.db2.gz AGYPFKGNEABPOJ-BDJLRTHQSA-N 0 0 291.391 3.264 20 10 CGCDRN C[C@H]([NH2+]CC1SCCS1)c1cc(F)cc(F)c1[O-] ZINC000850559471 637123525 /nfs/dbraw/zinc/12/35/25/637123525.db2.gz BQGXFYKCPVNADW-ZETCQYMHSA-N 0 0 291.388 3.127 20 10 CGCDRN CCOc1ccc(N(CC)CCOC(F)F)cc1 ZINC000851829870 637516825 /nfs/dbraw/zinc/51/68/25/637516825.db2.gz LMLZOPZCMYJSKS-UHFFFAOYSA-N 0 0 259.296 3.151 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1c([O-])cccc1F ZINC000886489448 637539256 /nfs/dbraw/zinc/53/92/56/637539256.db2.gz IXNGJDJZTPJOFI-WDEREUQCSA-N 0 0 260.312 3.338 20 10 CGCDRN C[C@@H]([NH2+]CCSC(F)(F)F)c1c([O-])cccc1F ZINC000886508618 637546138 /nfs/dbraw/zinc/54/61/38/637546138.db2.gz HNSMSOBCFUBGOM-SSDOTTSWSA-N 0 0 283.290 3.435 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1c([O-])cccc1F ZINC000886522735 637551208 /nfs/dbraw/zinc/55/12/08/637551208.db2.gz PZXWGYKLXMXBRG-ABAIWWIYSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]CC1CCSCC1)c1c([O-])cccc1F ZINC000886526611 637552831 /nfs/dbraw/zinc/55/28/31/637552831.db2.gz OPDCYIUWYPDMTH-SNVBAGLBSA-N 0 0 269.385 3.325 20 10 CGCDRN C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1c([O-])cccc1F ZINC000886541507 637568574 /nfs/dbraw/zinc/56/85/74/637568574.db2.gz XHHYKKNZEYPTDH-JTQLQIEISA-N 0 0 294.757 3.473 20 10 CGCDRN CO[C@H](CC[NH2+][C@@H](C)c1c([O-])cccc1F)C(F)(F)F ZINC000886596982 637598147 /nfs/dbraw/zinc/59/81/47/637598147.db2.gz STEAKZBNJVAYHV-GZMMTYOYSA-N 0 0 295.276 3.149 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C12CCC2 ZINC000886624799 637614351 /nfs/dbraw/zinc/61/43/51/637614351.db2.gz AEHRWDWKRFCQHG-LERXQTSPSA-N 0 0 279.355 3.140 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C12CCC2 ZINC000886624798 637615322 /nfs/dbraw/zinc/61/53/22/637615322.db2.gz AEHRWDWKRFCQHG-DDTOSNHZSA-N 0 0 279.355 3.140 20 10 CGCDRN Cc1ccncc1CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886636339 637621308 /nfs/dbraw/zinc/62/13/08/637621308.db2.gz LSHSFQSRLRKNHP-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN CC[C@@H](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852492456 637663753 /nfs/dbraw/zinc/66/37/53/637663753.db2.gz QYQFDVINJRAXSU-CQSZACIVSA-N 0 0 291.439 3.330 20 10 CGCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000852595365 637686038 /nfs/dbraw/zinc/68/60/38/637686038.db2.gz RXBZLFYKVZRTQK-INIZCTEOSA-N 0 0 289.423 3.049 20 10 CGCDRN C[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCOC1 ZINC000221353390 637729176 /nfs/dbraw/zinc/72/91/76/637729176.db2.gz RDFXAGSANDDBRU-CYBMUJFWSA-N 0 0 290.190 3.358 20 10 CGCDRN CC(C)CC1(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000853243954 637792739 /nfs/dbraw/zinc/79/27/39/637792739.db2.gz AKWXPGHKKTZRRC-UHFFFAOYSA-N 0 0 289.423 3.131 20 10 CGCDRN Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])CC(C)(C)C)c1O ZINC000854244193 638031899 /nfs/dbraw/zinc/03/18/99/638031899.db2.gz UCVNFUMLYOFKPX-UHFFFAOYSA-N 0 0 299.798 3.287 20 10 CGCDRN C[C@@H]1CCCC[C@]1(C)NC(=O)C1=CC(=O)CS1 ZINC000854904725 638118872 /nfs/dbraw/zinc/11/88/72/638118872.db2.gz WWPFZVXHXCLNNN-RNCFNFMXSA-N 0 0 253.367 3.152 20 10 CGCDRN O=C(NCC[C@H]1CCC(F)(F)C1)C1=CC(=O)CS1 ZINC000890001224 638146456 /nfs/dbraw/zinc/14/64/56/638146456.db2.gz ZACZAULMXDJXJD-MRVPVSSYSA-N 0 0 275.320 3.009 20 10 CGCDRN CCCCC[C@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000114582139 638380324 /nfs/dbraw/zinc/38/03/24/638380324.db2.gz DDGPSKFDWHAHPI-LBPRGKRZSA-N 0 0 294.395 3.169 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CC1(F)F ZINC000856802579 638392172 /nfs/dbraw/zinc/39/21/72/638392172.db2.gz LQVCDFPOWSUVLZ-ZETCQYMHSA-N 0 0 279.689 3.320 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCC2CCCC2)c1 ZINC000858131358 638639084 /nfs/dbraw/zinc/63/90/84/638639084.db2.gz SJKQUTJGOKNKQZ-UHFFFAOYSA-N 0 0 276.380 3.080 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCCC(C)(C)C)c1 ZINC000858241696 638662500 /nfs/dbraw/zinc/66/25/00/638662500.db2.gz YJSZULYBKCZSEY-UHFFFAOYSA-N 0 0 278.396 3.326 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858444254 638720777 /nfs/dbraw/zinc/72/07/77/638720777.db2.gz TVHRNJSWRIHUFL-LOWDOPEQSA-N 0 0 290.363 3.387 20 10 CGCDRN Cc1csc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC000858512157 638751965 /nfs/dbraw/zinc/75/19/65/638751965.db2.gz GUYVIKXGVJHKFV-UHFFFAOYSA-N 0 0 290.388 3.070 20 10 CGCDRN CCCC1(C(=O)NCc2c(O)cccc2F)CCC1 ZINC000928705666 638889248 /nfs/dbraw/zinc/88/92/48/638889248.db2.gz MQPNRGWBRVYROY-UHFFFAOYSA-N 0 0 265.328 3.118 20 10 CGCDRN CCCN(Cc1ccccc1O)Cc1c(F)cncc1F ZINC000929753801 638947129 /nfs/dbraw/zinc/94/71/29/638947129.db2.gz WIRKLQDNXPTCEB-UHFFFAOYSA-N 0 0 292.329 3.478 20 10 CGCDRN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858592580 638998894 /nfs/dbraw/zinc/99/88/94/638998894.db2.gz GJPJMWJWDIWENQ-JBLDHEPKSA-N 0 0 269.772 3.121 20 10 CGCDRN CCCN(C)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000858904931 639041718 /nfs/dbraw/zinc/04/17/18/639041718.db2.gz CTYQXZUXKKPJDW-UHFFFAOYSA-N 0 0 298.386 3.389 20 10 CGCDRN CCO[C@@H](CN(CC)c1ccc(OC)c(OC)c1)C1CC1 ZINC000859176525 639099884 /nfs/dbraw/zinc/09/98/84/639099884.db2.gz WUASNYCHZZPCFK-KRWDZBQOSA-N 0 0 293.407 3.345 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC/C=C\c1ccccc1 ZINC000116794177 639151431 /nfs/dbraw/zinc/15/14/31/639151431.db2.gz GRZQNEYQRVPNRY-SKQDYVHHSA-N 0 0 296.322 3.368 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000859698627 639193450 /nfs/dbraw/zinc/19/34/50/639193450.db2.gz ZXMYTSITVUORTB-MRXNPFEDSA-N 0 0 296.374 3.327 20 10 CGCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](C)C1(F)F ZINC000859696199 639193763 /nfs/dbraw/zinc/19/37/63/639193763.db2.gz DUOSPGSYCHGCLS-UWVGGRQHSA-N 0 0 283.322 3.024 20 10 CGCDRN CCc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000036195497 639246698 /nfs/dbraw/zinc/24/66/98/639246698.db2.gz DONQYIBRSNLLOI-UHFFFAOYSA-N 0 0 282.387 3.032 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)C=CCC1 ZINC000932944650 639404167 /nfs/dbraw/zinc/40/41/67/639404167.db2.gz ZNNZEGKJHROJDM-KRWDZBQOSA-N 0 0 272.392 3.034 20 10 CGCDRN CC(C)(C)CC(C)(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000934944485 639722035 /nfs/dbraw/zinc/72/20/35/639722035.db2.gz QFIRXAIULLDBIQ-UHFFFAOYSA-N 0 0 279.380 3.176 20 10 CGCDRN C[C@H](NC(=O)[C@@]1(C)C=CCC1)c1ccc(N(C)C)cc1 ZINC000935466498 639820579 /nfs/dbraw/zinc/82/05/79/639820579.db2.gz ZBORBMUHFKITNC-GUYCJALGSA-N 0 0 272.392 3.286 20 10 CGCDRN Cc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000041373968 639902763 /nfs/dbraw/zinc/90/27/63/639902763.db2.gz GHWMPAPHAMJOKV-UHFFFAOYSA-N 0 0 296.370 3.084 20 10 CGCDRN CC(C)c1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000155738133 639946291 /nfs/dbraw/zinc/94/62/91/639946291.db2.gz WENIVVBYUQOYMO-BJMVGYQFSA-N 0 0 283.375 3.220 20 10 CGCDRN CCC(C)(CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000158858443 640021133 /nfs/dbraw/zinc/02/11/33/640021133.db2.gz MDMHDRRQQUWLEO-UHFFFAOYSA-N 0 0 280.387 3.334 20 10 CGCDRN CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000047655125 640022395 /nfs/dbraw/zinc/02/23/95/640022395.db2.gz DCMINSYWJZWGRP-UHFFFAOYSA-N 0 0 256.349 3.152 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000078708915 640335409 /nfs/dbraw/zinc/33/54/09/640335409.db2.gz RVVPAXMKSOKROJ-MDZDMXLPSA-N 0 0 278.355 3.383 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Cn1ccc2ccccc21 ZINC000080357032 640470091 /nfs/dbraw/zinc/47/00/91/640470091.db2.gz VTYUQGGQWQUJAZ-UHFFFAOYSA-N 0 0 294.354 3.006 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ncc3ccccc3n2)cc1 ZINC001156920826 805752551 /nfs/dbraw/zinc/75/25/51/805752551.db2.gz HICUJQMOCCKNTE-UHFFFAOYSA-N 0 0 292.386 3.332 20 10 CGCDRN CN(C)c1ccc(CN(C)c2nccc3scnc32)cc1 ZINC001156920392 805752776 /nfs/dbraw/zinc/75/27/76/805752776.db2.gz CEGJCOLXNIJMLD-UHFFFAOYSA-N 0 0 298.415 3.394 20 10 CGCDRN CCc1cc2c(ccnc2NCc2ccc(O)c(O)c2)o1 ZINC001159006234 806030573 /nfs/dbraw/zinc/03/05/73/806030573.db2.gz WCKRBSDGTGISCT-UHFFFAOYSA-N 0 0 284.315 3.414 20 10 CGCDRN COc1nc(OC)c(SC)cc1Nc1ccc(N)cc1 ZINC001159492128 806114490 /nfs/dbraw/zinc/11/44/90/806114490.db2.gz UIYFLWNRDRZFKE-UHFFFAOYSA-N 0 0 291.376 3.147 20 10 CGCDRN COC(=O)c1cc(C)cc(Nc2ccc3c(c2)CCN3)c1 ZINC001159523335 806116733 /nfs/dbraw/zinc/11/67/33/806116733.db2.gz WGTKXWBYAZEMGI-UHFFFAOYSA-N 0 0 282.343 3.493 20 10 CGCDRN O=C(Nc1c(O)cccc1Cl)C1=CC(=O)CS1 ZINC001159657201 806142165 /nfs/dbraw/zinc/14/21/65/806142165.db2.gz KSXNMLVIWHLHFS-UHFFFAOYSA-N 0 0 269.709 3.065 20 10 CGCDRN CN(c1ccc(N)cc1)c1c(Cl)cccc1CO ZINC001159851255 806186471 /nfs/dbraw/zinc/18/64/71/806186471.db2.gz XEEMYCNJZRZRGN-UHFFFAOYSA-N 0 0 262.740 3.182 20 10 CGCDRN CC(C)(C)OC[C@@H](O)CNc1ccccc1OCC1CC1 ZINC001253470024 806223420 /nfs/dbraw/zinc/22/34/20/806223420.db2.gz UJMOAHJGQWXXLS-AWEZNQCLSA-N 0 0 293.407 3.063 20 10 CGCDRN CC(C)(C)OC[C@H](O)CNc1ccccc1OCC1CC1 ZINC001253470025 806223702 /nfs/dbraw/zinc/22/37/02/806223702.db2.gz UJMOAHJGQWXXLS-CQSZACIVSA-N 0 0 293.407 3.063 20 10 CGCDRN Cc1cccc(-c2nnc(-c3cccc(O)c3O)o2)c1 ZINC001253613317 806273661 /nfs/dbraw/zinc/27/36/61/806273661.db2.gz YKJLAJVJGQDECT-UHFFFAOYSA-N 0 0 268.272 3.123 20 10 CGCDRN Cc1cc(C)c(CNc2ncc3c(n2)CCCC3)c(O)c1 ZINC001160811619 806307635 /nfs/dbraw/zinc/30/76/35/806307635.db2.gz SHXINSFMGVFMKL-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN CC(=O)c1c(C)cc(NC(=O)c2cccc(O)c2O)cc1C ZINC001161769138 806450328 /nfs/dbraw/zinc/45/03/28/806450328.db2.gz JVUQRZCZBHVSSJ-UHFFFAOYSA-N 0 0 299.326 3.170 20 10 CGCDRN CSc1ncc(Cl)c(NCc2ccc(N)cc2)n1 ZINC001162784199 806664533 /nfs/dbraw/zinc/66/45/33/806664533.db2.gz GWHGXIJEEXECEU-UHFFFAOYSA-N 0 0 280.784 3.046 20 10 CGCDRN Cc1cc(Cl)c([N+](=O)[O-])c(NCc2ccc(N)cc2)n1 ZINC001162783891 806664797 /nfs/dbraw/zinc/66/47/97/806664797.db2.gz CAWDOVWLVCDKOH-UHFFFAOYSA-N 0 0 292.726 3.146 20 10 CGCDRN Cc1ccc(-c2ccc(NCc3ccc(N)cc3)nn2)o1 ZINC001162787579 806665884 /nfs/dbraw/zinc/66/58/84/806665884.db2.gz NOLHRJRWOIDSHR-UHFFFAOYSA-N 0 0 280.331 3.239 20 10 CGCDRN Oc1ccccc1CNc1ccc(OCC(F)(F)F)nc1 ZINC000036935338 798852687 /nfs/dbraw/zinc/85/26/87/798852687.db2.gz LXUPQPCVTYKTPB-UHFFFAOYSA-N 0 0 298.264 3.340 20 10 CGCDRN Cc1cc([C@H](C)NC(=O)Cc2ccc(N)cc2)c(C)s1 ZINC000037002121 798855097 /nfs/dbraw/zinc/85/50/97/798855097.db2.gz WPCHUSTUQWQXIT-NSHDSACASA-N 0 0 288.416 3.367 20 10 CGCDRN Cc1cc(-c2nnco2)ccc1NCc1ccccc1O ZINC000037119995 798858874 /nfs/dbraw/zinc/85/88/74/798858874.db2.gz VGBYNBWEFYPBGB-UHFFFAOYSA-N 0 0 281.315 3.363 20 10 CGCDRN OCc1cccc(NCc2ccc(N3CCCC3)cc2)c1 ZINC000037296168 798865150 /nfs/dbraw/zinc/86/51/50/798865150.db2.gz ARSGWHIMZSFZEY-UHFFFAOYSA-N 0 0 282.387 3.391 20 10 CGCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1OC ZINC000315381224 799235943 /nfs/dbraw/zinc/23/59/43/799235943.db2.gz FVEWFQWLUHOTEQ-MRXNPFEDSA-N 0 0 298.386 3.087 20 10 CGCDRN C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CC2CCC1CC2 ZINC000381561217 799380891 /nfs/dbraw/zinc/38/08/91/799380891.db2.gz WMHLLBZULCIWDK-DLOFLVKXSA-N 0 0 289.375 3.042 20 10 CGCDRN CCCOC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000382250481 799394006 /nfs/dbraw/zinc/39/40/06/799394006.db2.gz FCIISUXYVSOSHH-UHFFFAOYSA-N 0 0 264.369 3.121 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1N ZINC000386527055 799437188 /nfs/dbraw/zinc/43/71/88/799437188.db2.gz WDXAIALYNYYJBO-UHFFFAOYSA-N 0 0 295.386 3.430 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403714248 799570236 /nfs/dbraw/zinc/57/02/36/799570236.db2.gz XBSNNJARQWIVPW-YOGCLGLASA-N 0 0 267.369 3.048 20 10 CGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 ZINC000588406623 799688723 /nfs/dbraw/zinc/68/87/23/799688723.db2.gz RGZJZEYQXOQQHQ-VPUINMBXSA-N 0 0 289.375 3.196 20 10 CGCDRN Cc1cc(C)cc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588403908 799689415 /nfs/dbraw/zinc/68/94/15/799689415.db2.gz HIRPCMISQONKQC-ALCCZGGFSA-N 0 0 297.354 3.391 20 10 CGCDRN Cc1c[nH]c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000693460080 799811271 /nfs/dbraw/zinc/81/12/71/799811271.db2.gz AMJKMRKKODVCKO-UHFFFAOYSA-N 0 0 286.162 3.020 20 10 CGCDRN C[C@H](CC1CCCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000694649779 799822979 /nfs/dbraw/zinc/82/29/79/799822979.db2.gz UAPRUOQMDJTAQL-CYBMUJFWSA-N 0 0 274.408 3.286 20 10 CGCDRN O=C(/C=C\c1ccc(Cl)s1)NCc1ccccc1O ZINC000701144018 799884364 /nfs/dbraw/zinc/88/43/64/799884364.db2.gz BOBLVUNQRDLGIP-VURMDHGXSA-N 0 0 293.775 3.437 20 10 CGCDRN Oc1ccc(Br)cc1CN1CCC[C@H](F)C1 ZINC000701673807 799893001 /nfs/dbraw/zinc/89/30/01/799893001.db2.gz MGBVPCLTCDBHNS-NSHDSACASA-N 0 0 288.160 3.089 20 10 CGCDRN C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703295654 799922088 /nfs/dbraw/zinc/92/20/88/799922088.db2.gz XTNOLSIXMRVQMK-VIFPVBQESA-N 0 0 283.343 3.453 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCCC23CC3)ccc(F)c1F ZINC000703394187 799923762 /nfs/dbraw/zinc/92/37/62/799923762.db2.gz HWEKIIGPSXIANP-NSHDSACASA-N 0 0 267.319 3.340 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1ccccc1 ZINC000708482118 799990188 /nfs/dbraw/zinc/99/01/88/799990188.db2.gz WGKHVGBFKNAXSV-UHFFFAOYSA-N 0 0 263.287 3.003 20 10 CGCDRN C[C@@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000709168047 800004987 /nfs/dbraw/zinc/00/49/87/800004987.db2.gz SCNHWZIMHHEOHG-LBPRGKRZSA-N 0 0 263.381 3.423 20 10 CGCDRN C[C@@]1(C(F)(F)F)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000709606568 800010953 /nfs/dbraw/zinc/01/09/53/800010953.db2.gz VMCDCBOQGNOZBT-GFCCVEGCSA-N 0 0 287.285 3.075 20 10 CGCDRN CCC1([NH+](C)C)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000715192890 800132964 /nfs/dbraw/zinc/13/29/64/800132964.db2.gz AGRSYLIXOKOVFK-UHFFFAOYSA-N 0 0 296.842 3.352 20 10 CGCDRN Cc1cc(O)ccc1NS(=O)(=O)CCC(C)(C)C1CC1 ZINC000717909619 800208069 /nfs/dbraw/zinc/20/80/69/800208069.db2.gz KMEPORBKPXHCHJ-UHFFFAOYSA-N 0 0 297.420 3.269 20 10 CGCDRN CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000718370522 800216122 /nfs/dbraw/zinc/21/61/22/800216122.db2.gz AYGNLOLOVPVLMR-QWHCGFSZSA-N 0 0 283.799 3.483 20 10 CGCDRN COCC(C)(C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000718740470 800220818 /nfs/dbraw/zinc/22/08/18/800220818.db2.gz LYDIBAMLULAFCI-UHFFFAOYSA-N 0 0 271.788 3.198 20 10 CGCDRN CCc1cccc(CNCc2ncc(Cl)s2)c1O ZINC000719400025 800238599 /nfs/dbraw/zinc/23/85/99/800238599.db2.gz HQQDLFMHVIERTR-UHFFFAOYSA-N 0 0 282.796 3.354 20 10 CGCDRN Cc1cc(CN2CCO[C@@H](CF)C2)c(O)c(C(C)(C)C)c1 ZINC000840171873 800496500 /nfs/dbraw/zinc/49/65/00/800496500.db2.gz QKAGGQITDRIKGM-AWEZNQCLSA-N 0 0 295.398 3.168 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1c([O-])cccc1F ZINC000886645043 800546825 /nfs/dbraw/zinc/54/68/25/800546825.db2.gz QISHBCTWANREKD-JBLDHEPKSA-N 0 0 255.308 3.463 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761822 800560129 /nfs/dbraw/zinc/56/01/29/800560129.db2.gz ZAUFRIDBJWUAOU-PWSUYJOCSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(Cl)o1 ZINC001256176012 806844003 /nfs/dbraw/zinc/84/40/03/806844003.db2.gz RSOITWGPOFRSAU-UHFFFAOYSA-N 0 0 298.085 3.375 20 10 CGCDRN Cc1cc2c(ncnc2NCc2c(O)cccc2F)s1 ZINC001164185290 806910706 /nfs/dbraw/zinc/91/07/06/806910706.db2.gz APMCQLIUZSOYSC-UHFFFAOYSA-N 0 0 289.335 3.457 20 10 CGCDRN C[C@@H](OC1CCCCC1)C(=O)N(C)Cc1ccccc1O ZINC001116070848 802296621 /nfs/dbraw/zinc/29/66/21/802296621.db2.gz GIHOIHYCIGMYCB-CYBMUJFWSA-N 0 0 291.391 3.088 20 10 CGCDRN CC/C=C\CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001117774989 802492453 /nfs/dbraw/zinc/49/24/53/802492453.db2.gz ZWLLCSUYNBCIKT-ALCCZGGFSA-N 0 0 283.375 3.185 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC001118177425 802534792 /nfs/dbraw/zinc/53/47/92/802534792.db2.gz RAOBCASOJQOZBC-UHTWSYAYSA-N 0 0 295.354 3.110 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCCC3(CCCC3)C2)cc1 ZINC001120591852 802750831 /nfs/dbraw/zinc/75/08/31/802750831.db2.gz KVRUXLRAIZXYGR-UHFFFAOYSA-N 0 0 287.407 3.135 20 10 CGCDRN CCCC[C@H](C(=O)NCc1cccc(O)c1O)C(C)C ZINC001123977688 802986615 /nfs/dbraw/zinc/98/66/15/802986615.db2.gz LLNPYJJDKMAVGC-ZDUSSCGKSA-N 0 0 279.380 3.176 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1ccc(Cl)cn1 ZINC001125911022 803078822 /nfs/dbraw/zinc/07/88/22/803078822.db2.gz HYAHOTSUGLTHDW-YVMONPNESA-N 0 0 287.750 3.115 20 10 CGCDRN Cc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)c(N)c1 ZINC001244394551 803343345 /nfs/dbraw/zinc/34/33/45/803343345.db2.gz IBWPNCQTLCIVKK-UHFFFAOYSA-N 0 0 290.366 3.454 20 10 CGCDRN Cn1ccc(Nc2cccc3c2C(=O)c2ccccc2-3)n1 ZINC001210353096 814417137 /nfs/dbraw/zinc/41/71/37/814417137.db2.gz GYUDCDGXMZITMZ-UHFFFAOYSA-N 0 0 275.311 3.375 20 10 CGCDRN Cc1cc(C)c(N)c(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001244596992 803459946 /nfs/dbraw/zinc/45/99/46/803459946.db2.gz PFBVCYGTWOXJJD-UHFFFAOYSA-N 0 0 293.374 3.052 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001135608685 803606632 /nfs/dbraw/zinc/60/66/32/803606632.db2.gz BASSWSGFNSVPMM-LLVKDONJSA-N 0 0 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CGCDRN CCN(Cc1ccccc1O)c1ncc(N)cc1Cl ZINC001154888924 805504567 /nfs/dbraw/zinc/50/45/67/805504567.db2.gz KLDCYBSGEGEACZ-UHFFFAOYSA-N 0 0 277.755 3.049 20 10 CGCDRN CCCc1ccnc(N(CC)Cc2ccccc2O)n1 ZINC001154888707 805504907 /nfs/dbraw/zinc/50/49/07/805504907.db2.gz ITMBOOUKGCUAOC-UHFFFAOYSA-N 0 0 271.364 3.161 20 10 CGCDRN Cc1ncc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)o1 ZINC001256978447 807022039 /nfs/dbraw/zinc/02/20/39/807022039.db2.gz JWMIZQLKWBXGDQ-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN Cc1cc(C)c(-c2noc(-c3nnsc3C3CC3)n2)cn1 ZINC001212680691 815101665 /nfs/dbraw/zinc/10/16/65/815101665.db2.gz RSYFYBGJZGHLEW-UHFFFAOYSA-N 0 0 299.359 3.144 20 10 CGCDRN Cc1cc(-c2noc(-c3nnsc3C(C)C)n2)ccn1 ZINC001212687351 815103589 /nfs/dbraw/zinc/10/35/89/815103589.db2.gz OLVBWTFSKBDOIC-UHFFFAOYSA-N 0 0 287.348 3.082 20 10 CGCDRN CCO[C@H](CN(CC)c1ccc(OC)cc1)C1CC1 ZINC001167835056 807258612 /nfs/dbraw/zinc/25/86/12/807258612.db2.gz MQQDOBDZPRAPAL-MRXNPFEDSA-N 0 0 263.381 3.337 20 10 CGCDRN 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ZINC001186747084 810359358 /nfs/dbraw/zinc/35/93/58/810359358.db2.gz OKLCGAVXCDPCJQ-UHFFFAOYSA-N 0 0 290.344 3.464 20 10 CGCDRN Cc1ccc(O)c(CNc2ncnc3[nH]c(Cl)cc32)c1 ZINC001187082175 810383158 /nfs/dbraw/zinc/38/31/58/810383158.db2.gz UEHRCXWPOIQEAZ-UHFFFAOYSA-N 0 0 288.738 3.237 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)n(C)c1 ZINC001188071948 810449615 /nfs/dbraw/zinc/44/96/15/810449615.db2.gz IMJQQOGXKPDJKO-UHFFFAOYSA-N 0 0 299.418 3.062 20 10 CGCDRN CCN(C[C@@H](COC)C(C)C)c1ccc(OC)c(OC)c1 ZINC001192106941 810769400 /nfs/dbraw/zinc/76/94/00/810769400.db2.gz CKFQUUXNQZIXRN-AWEZNQCLSA-N 0 0 295.423 3.449 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)c[nH]c1C ZINC001193359196 810878971 /nfs/dbraw/zinc/87/89/71/810878971.db2.gz UONNTEFAFPKAIT-UHFFFAOYSA-N 0 0 299.418 3.360 20 10 CGCDRN C[C@H](NC(=O)Oc1ccccc1)c1ccccc1O ZINC001194267501 811044704 /nfs/dbraw/zinc/04/47/04/811044704.db2.gz ZEEKTFQOXAXQTN-NSHDSACASA-N 0 0 257.289 3.242 20 10 CGCDRN CCC(CC)COC(=O)NCc1cccc(C)c1O ZINC001194724860 811116681 /nfs/dbraw/zinc/11/66/81/811116681.db2.gz SKNSVWSENRXJJQ-UHFFFAOYSA-N 0 0 265.353 3.363 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Oc1ccc(F)cc1 ZINC001195030734 811187913 /nfs/dbraw/zinc/18/79/13/811187913.db2.gz DNWWOBGCTRFWJM-UHFFFAOYSA-N 0 0 275.279 3.162 20 10 CGCDRN Cc1ccc(F)cc1NC(=S)NCc1ncccc1C ZINC001195880131 811297826 /nfs/dbraw/zinc/29/78/26/811297826.db2.gz AHMOJQIFMVVLQI-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN Cc1cccc(CNC(=S)Nc2cc(F)ccc2C)n1 ZINC001195880855 811298024 /nfs/dbraw/zinc/29/80/24/811298024.db2.gz JTKDHOYIMOENTA-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CC[C@@H](C)CNC(=S)NCc1c(C)cc(C)cc1O ZINC001200277597 811665694 /nfs/dbraw/zinc/66/56/94/811665694.db2.gz NMPWTCCNRBYREW-SNVBAGLBSA-N 0 0 280.437 3.019 20 10 CGCDRN Oc1cccc(NC(=S)Nc2ccc(F)c(F)c2)c1O ZINC001200699535 811736673 /nfs/dbraw/zinc/73/66/73/811736673.db2.gz RKXIOXDLVKLCKZ-UHFFFAOYSA-N 0 0 296.298 3.185 20 10 CGCDRN COc1nc(C(C)C)ccc1Nc1cccc(O)c1O ZINC001201437003 811846575 /nfs/dbraw/zinc/84/65/75/811846575.db2.gz BHMMCSAGIHUWEQ-UHFFFAOYSA-N 0 0 274.320 3.368 20 10 CGCDRN COc1ccc(-c2noc(-c3cccc(O)c3O)n2)c(C)c1 ZINC001215145906 815489023 /nfs/dbraw/zinc/48/90/23/815489023.db2.gz QHUDMCNALMJPJC-UHFFFAOYSA-N 0 0 298.298 3.132 20 10 CGCDRN Cc1cccc(NC(=O)NCc2cccc(O)c2O)c1C ZINC001202713651 812157718 /nfs/dbraw/zinc/15/77/18/812157718.db2.gz UEEBKEAHJUXNMU-UHFFFAOYSA-N 0 0 286.331 3.036 20 10 CGCDRN CCc1ccc(NC(=O)Nc2cccc(O)c2O)cc1 ZINC001202940504 812206026 /nfs/dbraw/zinc/20/60/26/812206026.db2.gz IHCRGVGRSUAESU-UHFFFAOYSA-N 0 0 272.304 3.304 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC001203871327 812477214 /nfs/dbraw/zinc/47/72/14/812477214.db2.gz GMQQRIJDMRXLGX-IINYFYTJSA-N 0 0 299.773 3.232 20 10 CGCDRN CCN(CC)c1ccc(CN2CCC(=O)C(C)(C)C2)cc1 ZINC001203942390 812497908 /nfs/dbraw/zinc/49/79/08/812497908.db2.gz OCXXUHBJEBXGMN-UHFFFAOYSA-N 0 0 288.435 3.334 20 10 CGCDRN COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C(C)C)c(O)c1 ZINC001204657474 812701716 /nfs/dbraw/zinc/70/17/16/812701716.db2.gz GHLUXYVFCBDXDN-OAHLLOKOSA-N 0 0 263.381 3.330 20 10 CGCDRN C[N@H+](Cc1ccccc1F)Cc1cc(F)cc(F)c1[O-] ZINC001204713702 812714628 /nfs/dbraw/zinc/71/46/28/812714628.db2.gz GIYOCNGPYZBSCL-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN CC(C)[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001204974784 812803445 /nfs/dbraw/zinc/80/34/45/812803445.db2.gz BOEKOQPGYWUPLV-XFHJGTJQSA-N 0 0 288.435 3.123 20 10 CGCDRN Cn1ccc(-c2ccc(Oc3ccccc3)nc2)cc1=O ZINC001205351058 812966896 /nfs/dbraw/zinc/96/68/96/812966896.db2.gz XBHAQZFWFYRJLM-UHFFFAOYSA-N 0 0 278.311 3.240 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CC1(C)C ZINC001206335437 813294932 /nfs/dbraw/zinc/29/49/32/813294932.db2.gz HOIHNZSANOXYBT-DGCLKSJQSA-N 0 0 251.345 3.446 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2cnoc2C)cn1 ZINC001242603224 823056659 /nfs/dbraw/zinc/05/66/59/823056659.db2.gz WECVCBCDRHBMAJ-UHFFFAOYSA-N 0 0 253.305 3.453 20 10 CGCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OCC(C)C)cc1Cl ZINC001207209884 813516130 /nfs/dbraw/zinc/51/61/30/813516130.db2.gz SGKNNJKJFVLHSN-NSHDSACASA-N 0 0 299.798 3.031 20 10 CGCDRN Nc1ccc(NC2=CCN(c3ccccc3)CC2)cc1 ZINC001209083936 813930379 /nfs/dbraw/zinc/93/03/79/813930379.db2.gz CHIIGVCEJJFJFJ-UHFFFAOYSA-N 0 0 265.360 3.475 20 10 CGCDRN CC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)cc1O ZINC001209767084 814134898 /nfs/dbraw/zinc/13/48/98/814134898.db2.gz JHAJBGYICFYIDY-UHFFFAOYSA-N 0 0 284.315 3.143 20 10 CGCDRN Cc1cc2c(cccc2-c2cnc(N3CCC3)nc2)n1C ZINC001242705973 823106434 /nfs/dbraw/zinc/10/64/34/823106434.db2.gz SSJJFNSJIZUDKZ-UHFFFAOYSA-N 0 0 278.359 3.154 20 10 CGCDRN Oc1cc(F)ccc1Nc1c(Cl)cncc1Cl ZINC001210014831 814244328 /nfs/dbraw/zinc/24/43/28/814244328.db2.gz OMWVAJNMCOHWCR-UHFFFAOYSA-N 0 0 273.094 3.399 20 10 CGCDRN Oc1cccc(Nc2cccc(Cl)c2O)c1O ZINC001210222231 814347907 /nfs/dbraw/zinc/34/79/07/814347907.db2.gz WCEGYDRXLBUPPD-UHFFFAOYSA-N 0 0 251.669 3.200 20 10 CGCDRN Cc1cc(Cl)cc(N(CCO)c2ccc(N)cc2)c1 ZINC001210462060 814470561 /nfs/dbraw/zinc/47/05/61/814470561.db2.gz LWFKYPMRDWDQSI-UHFFFAOYSA-N 0 0 276.767 3.361 20 10 CGCDRN Cc1c(Cl)c(N(C)c2ccc(N)cc2)ccc1CO ZINC001216329674 815786122 /nfs/dbraw/zinc/78/61/22/815786122.db2.gz GYGBGLRNLSZEHY-UHFFFAOYSA-N 0 0 276.767 3.491 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001216484501 815840046 /nfs/dbraw/zinc/84/00/46/815840046.db2.gz JOHOUBPTRKLDFC-UHFFFAOYSA-N 0 0 261.256 3.084 20 10 CGCDRN Cc1ccc(OC(C)C)c(COc2cccnc2N)c1 ZINC001218295266 816156532 /nfs/dbraw/zinc/15/65/32/816156532.db2.gz DXUZJTRHJWOXJA-UHFFFAOYSA-N 0 0 272.348 3.338 20 10 CGCDRN C[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC001222344481 816414456 /nfs/dbraw/zinc/41/44/56/816414456.db2.gz IQAFETYWQNDWLL-CMPLNLGQSA-N 0 0 296.798 3.424 20 10 CGCDRN COc1cc(SC)c(-c2cnc3ccn(C)c3c2)cn1 ZINC001243051684 823228200 /nfs/dbraw/zinc/22/82/00/823228200.db2.gz MJPXFBNPPKXAMM-UHFFFAOYSA-N 0 0 285.372 3.366 20 10 CGCDRN CN(C)c1ccc(O[C@@H]2COCc3ccccc32)cc1 ZINC001227939452 817758912 /nfs/dbraw/zinc/75/89/12/817758912.db2.gz WFBWXDIGKFBLJB-QGZVFWFLSA-N 0 0 269.344 3.403 20 10 CGCDRN CCC[C@H](CC(=O)OCC)Oc1ccc(N(C)C)cc1 ZINC001227939398 817759111 /nfs/dbraw/zinc/75/91/11/817759111.db2.gz VAROMJHXQHFMIJ-OAHLLOKOSA-N 0 0 279.380 3.253 20 10 CGCDRN CN(C)c1ccc(OC[C@H]2COc3cscc3O2)cc1 ZINC001227939046 817759426 /nfs/dbraw/zinc/75/94/26/817759426.db2.gz JCSYOEXTVIMEDM-ZDUSSCGKSA-N 0 0 291.372 3.033 20 10 CGCDRN O=C([O-])c1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c(O)c1 ZINC001231450911 818100191 /nfs/dbraw/zinc/10/01/91/818100191.db2.gz WSKUHILULZBFAM-UHFFFAOYSA-N 0 0 289.375 3.247 20 10 CGCDRN CCC[N@H+](Cc1ccc(C(=O)[O-])cc1O)[C@@H](C)CC ZINC001231447513 818100854 /nfs/dbraw/zinc/10/08/54/818100854.db2.gz VXEFWZDHCAKTGC-NSHDSACASA-N 0 0 265.353 3.101 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001231588829 818129031 /nfs/dbraw/zinc/12/90/31/818129031.db2.gz VSKKLWKZAOXUDL-SUMWQHHRSA-N 0 0 285.387 3.138 20 10 CGCDRN Cc1cccc(CN2CC[C@@H](CF)C(F)(F)C2)c1O ZINC001231590715 818132457 /nfs/dbraw/zinc/13/24/57/818132457.db2.gz FOMFLTKIHKNCQQ-LBPRGKRZSA-N 0 0 273.298 3.127 20 10 CGCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231881007 818200369 /nfs/dbraw/zinc/20/03/69/818200369.db2.gz PTCCNDWTFOJIMP-MRXNPFEDSA-N 0 0 285.387 3.281 20 10 CGCDRN CCCOC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231912003 818210071 /nfs/dbraw/zinc/21/00/71/818210071.db2.gz SEFLCOGLXRKKEK-UHFFFAOYSA-N 0 0 283.799 3.437 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001231912489 818210383 /nfs/dbraw/zinc/21/03/83/818210383.db2.gz IVIQQGOUPHEZIF-CYBMUJFWSA-N 0 0 295.810 3.294 20 10 CGCDRN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC001231914124 818211895 /nfs/dbraw/zinc/21/18/95/818211895.db2.gz XTSWDJFLTLPGEM-UHFFFAOYSA-N 0 0 283.799 3.435 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@H](c3ccncc3)C2)ccc(F)c1F ZINC001233077844 818519270 /nfs/dbraw/zinc/51/92/70/818519270.db2.gz ZQFNAXJQHOLIIS-LBPRGKRZSA-N 0 0 290.313 3.055 20 10 CGCDRN C[N@H+](CCc1ccc(F)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077315 818520089 /nfs/dbraw/zinc/52/00/89/818520089.db2.gz IMIANPYYOZYYFL-UHFFFAOYSA-N 0 0 295.304 3.484 20 10 CGCDRN CC(C)(C)c1ccc(O)c(CN2CCC(=O)[C@@H](F)CC2)c1 ZINC001233284108 818565394 /nfs/dbraw/zinc/56/53/94/818565394.db2.gz IVBBAFTXIGDQDE-AWEZNQCLSA-N 0 0 293.382 3.193 20 10 CGCDRN CN(Cc1cc(C(C)(C)C)ccc1O)CC(F)F ZINC001233287319 818571127 /nfs/dbraw/zinc/57/11/27/818571127.db2.gz JAFHZXKDOIXDTJ-UHFFFAOYSA-N 0 0 257.324 3.387 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001233331880 818582625 /nfs/dbraw/zinc/58/26/25/818582625.db2.gz ONWIQIAWAGZNCZ-LLVKDONJSA-N 0 0 295.251 3.240 20 10 CGCDRN C[N@@H+](Cc1c([O-])ccc(F)c1F)CC1CC(F)(F)C1 ZINC001233335444 818588309 /nfs/dbraw/zinc/58/83/09/818588309.db2.gz VOCTVEXRMNWRHD-UHFFFAOYSA-N 0 0 277.261 3.148 20 10 CGCDRN CCN1CCc2cc(O[C@@H](C)C(F)(F)F)ccc21 ZINC001233602430 818656129 /nfs/dbraw/zinc/65/61/29/818656129.db2.gz UYAWFECVKAXYEJ-VIFPVBQESA-N 0 0 259.271 3.399 20 10 CGCDRN CCN1CCc2cc(O[C@@H]3CCCn4cc(C)nc43)ccc21 ZINC001233601656 818656171 /nfs/dbraw/zinc/65/61/71/818656171.db2.gz LVESWARGGUQVCE-QGZVFWFLSA-N 0 0 297.402 3.488 20 10 CGCDRN CSCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1O ZINC001233776841 818702984 /nfs/dbraw/zinc/70/29/84/818702984.db2.gz ZSSPISGCBKYUEJ-UHFFFAOYSA-N 0 0 295.326 3.086 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCCC[C@@H]1C ZINC001234473953 818862848 /nfs/dbraw/zinc/86/28/48/818862848.db2.gz MDUYNZNLHDOXNO-XPTSAGLGSA-N 0 0 264.321 3.258 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCC[C@@H](C)C1 ZINC001234473420 818863250 /nfs/dbraw/zinc/86/32/50/818863250.db2.gz GQMZQRSMFNHUGW-KOLCDFICSA-N 0 0 264.321 3.258 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)CC(C)C ZINC001234473634 818863331 /nfs/dbraw/zinc/86/33/31/818863331.db2.gz JFIUNWRNAJAEBJ-VIFPVBQESA-N 0 0 252.310 3.114 20 10 CGCDRN Oc1c(CN2CCO[C@H]3C[C@H]32)cccc1-c1ccccc1 ZINC001234999287 818974003 /nfs/dbraw/zinc/97/40/03/818974003.db2.gz RKFCMMNGJXJFSJ-SJORKVTESA-N 0 0 281.355 3.032 20 10 CGCDRN CC(C)OC1CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235677511 819138362 /nfs/dbraw/zinc/13/83/62/819138362.db2.gz FHSAAADCQCQUQZ-UHFFFAOYSA-N 0 0 277.408 3.299 20 10 CGCDRN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001235680974 819140201 /nfs/dbraw/zinc/14/02/01/819140201.db2.gz WGKULSRXOGIEKB-YOEHRIQHSA-N 0 0 289.419 3.301 20 10 CGCDRN CC(C)Oc1cncc(-c2ccnc3c2ccn3C)c1 ZINC001236521957 819515070 /nfs/dbraw/zinc/51/50/70/819515070.db2.gz UGNWKUGZNFWTRL-UHFFFAOYSA-N 0 0 267.332 3.423 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2O)[C@H](C)CO1 ZINC001236798658 819600574 /nfs/dbraw/zinc/60/05/74/819600574.db2.gz JMOPURASFOMQGU-RKDXNWHRSA-N 0 0 290.190 3.308 20 10 CGCDRN C[C@H]1CC(=O)CCN1Cc1cc2ccccc2cc1O ZINC001236825663 819608464 /nfs/dbraw/zinc/60/84/64/819608464.db2.gz BCJIIDZAXCEITM-LBPRGKRZSA-N 0 0 269.344 3.099 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2cc(Cl)ccc2N)n1 ZINC001243482302 823417592 /nfs/dbraw/zinc/41/75/92/823417592.db2.gz OSDONOCCFLRIPM-UHFFFAOYSA-N 0 0 272.739 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279.355 3.364 20 10 CGCDRN C[C@@H](CCNC(=O)c1c(F)ccc(O)c1O)CC(C)(C)C ZINC001558965775 938218694 /nfs/dbraw/zinc/21/86/94/938218694.db2.gz JDDAQAVYCSATHS-JTQLQIEISA-N 0 0 297.370 3.429 20 10 CGCDRN CC(C)c1cc(NCc2ccc3cccnc3c2O)ncn1 ZINC001559216762 938222758 /nfs/dbraw/zinc/22/27/58/938222758.db2.gz MPMMARGETOFGSZ-UHFFFAOYSA-N 0 0 294.358 3.466 20 10 CGCDRN Cc1nc(NCc2cccc(Cl)c2O)ccc1[N+](=O)[O-] ZINC001559299622 938224897 /nfs/dbraw/zinc/22/48/97/938224897.db2.gz LSSQDTCMZQRTAY-UHFFFAOYSA-N 0 0 293.710 3.269 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNCc1nnc(C(C)C)[nH]1 ZINC001560484569 938260032 /nfs/dbraw/zinc/26/00/32/938260032.db2.gz QGBYBEPUEMUBAU-UHFFFAOYSA-N 0 0 297.406 3.018 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001560687673 938270385 /nfs/dbraw/zinc/27/03/85/938270385.db2.gz NPEBDSMDBNYYHY-UHFFFAOYSA-N 0 0 255.308 3.291 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccnn1CC1CCC1 ZINC001560704034 938271185 /nfs/dbraw/zinc/27/11/85/938271185.db2.gz VVZDILCZDUISDI-UHFFFAOYSA-N 0 0 297.402 3.255 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001561016165 938289743 /nfs/dbraw/zinc/28/97/43/938289743.db2.gz PNNJKDIFVNHSOW-CQSZACIVSA-N 0 0 271.335 3.178 20 10 CGCDRN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCCC(=O)[O-] ZINC001594374288 958575411 /nfs/dbraw/zinc/57/54/11/958575411.db2.gz LGXRVSZMJLTXGM-NWDGAFQWSA-N 0 0 277.364 3.093 20 10 CGCDRN CCc1ncoc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157050345 958828314 /nfs/dbraw/zinc/82/83/14/958828314.db2.gz FDGWIXWNKYOWQU-UHFFFAOYSA-N 0 0 296.326 3.026 20 10 CGCDRN CC1(C)CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC001564379366 960641072 /nfs/dbraw/zinc/64/10/72/960641072.db2.gz SLPIVFKVTURKCS-GFCCVEGCSA-N 0 0 296.798 3.424 20 10 CGCDRN Nc1ccc(CNC(=O)NCc2cc3ccccc3o2)cc1 ZINC001580445571 962724195 /nfs/dbraw/zinc/72/41/95/962724195.db2.gz KUURULHWEVZDJS-UHFFFAOYSA-N 0 0 295.342 3.014 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(Cl)c(F)c2)c1 ZINC001584983321 962970615 /nfs/dbraw/zinc/97/06/15/962970615.db2.gz JEPSAPHOSIDWOH-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN C[C@@H](NC(=O)c1nccc2ccccc21)c1ccccc1O ZINC001587444840 963193823 /nfs/dbraw/zinc/19/38/23/963193823.db2.gz OUCZHOYRDQTVDE-GFCCVEGCSA-N 0 0 292.338 3.431 20 10 CGCDRN O=C(CCSc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001587929012 963237025 /nfs/dbraw/zinc/23/70/25/963237025.db2.gz VBAGBMPMSPKEHR-UHFFFAOYSA-N 0 0 299.395 3.417 20 10 CGCDRN O=C([O-])CCCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001606156614 973408945 /nfs/dbraw/zinc/40/89/45/973408945.db2.gz LFCVJGKPGQJPBN-UHFFFAOYSA-N 0 0 290.407 3.021 20 10 CGCDRN CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])[C@H](C)CC ZINC001595891613 982927566 /nfs/dbraw/zinc/92/75/66/982927566.db2.gz WJUQXVCCMIGEER-IUODEOHRSA-N 0 0 279.380 3.104 20 10 CGCDRN C[C@H]([NH2+]Cc1cccs1)c1cc(C(=O)[O-])ccc1O ZINC001593305623 994765960 /nfs/dbraw/zinc/76/59/60/994765960.db2.gz YPYMJNFAPFIPPT-VIFPVBQESA-N 0 0 277.345 3.003 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCC1 ZINC000052396826 345102846 /nfs/dbraw/zinc/10/28/46/345102846.db2.gz XLVXMNMCCBNSSH-UHFFFAOYSA-N 0 0 286.419 3.435 20 10 CGCDRN C/C(=C\C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000056259981 345161578 /nfs/dbraw/zinc/16/15/78/345161578.db2.gz PYYWWANHHVWIER-ACCUITESSA-N 0 0 272.392 3.067 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccco1 ZINC000060374579 345215264 /nfs/dbraw/zinc/21/52/64/345215264.db2.gz BPCFBQPJZJIDBM-UHFFFAOYSA-N 0 0 287.359 3.357 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cccs2)cc1 ZINC000060678541 345222282 /nfs/dbraw/zinc/22/22/82/345222282.db2.gz DKVOPXBVHVXDQS-UHFFFAOYSA-N 0 0 288.416 3.015 20 10 CGCDRN O=[N+]([O-])c1cccnc1NCc1c(O)ccc2c1CCCC2 ZINC000078463938 345609593 /nfs/dbraw/zinc/60/95/93/345609593.db2.gz NPGACBMRTAOFFE-UHFFFAOYSA-N 0 0 299.330 3.186 20 10 CGCDRN CC(C)[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230690291 346321091 /nfs/dbraw/zinc/32/10/91/346321091.db2.gz RVTFWDCISAZFNY-LBPRGKRZSA-N 0 0 292.206 3.196 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000187910449 296126360 /nfs/dbraw/zinc/12/63/60/296126360.db2.gz CEZCLKSHVFKTDQ-MNOVXSKESA-N 0 0 285.334 3.280 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCS1 ZINC000124854205 370929573 /nfs/dbraw/zinc/92/95/73/370929573.db2.gz KGINSHZAYFGUKO-ZDUSSCGKSA-N 0 0 271.813 3.421 20 10 CGCDRN Cn1cc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000035737544 369004200 /nfs/dbraw/zinc/00/42/00/369004200.db2.gz QQDWEHSZOGJBRF-UHFFFAOYSA-N 0 0 270.380 3.023 20 10 CGCDRN CCCCS[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000036332900 369016805 /nfs/dbraw/zinc/01/68/05/369016805.db2.gz OILGCXQFQZUYHR-JTQLQIEISA-N 0 0 252.383 3.129 20 10 CGCDRN CCCCS[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000036332901 369017312 /nfs/dbraw/zinc/01/73/12/369017312.db2.gz OILGCXQFQZUYHR-SNVBAGLBSA-N 0 0 252.383 3.129 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C\c1cncs1)CC2 ZINC000493556870 244186967 /nfs/dbraw/zinc/18/69/67/244186967.db2.gz NTGQFAAOUVRAII-WAYWQWQTSA-N 0 0 270.357 3.054 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCc2c1cc(F)cc2F ZINC000493826405 244239472 /nfs/dbraw/zinc/23/94/72/244239472.db2.gz RHJXITOFDWOZAT-UPHRSURJSA-N 0 0 292.310 3.024 20 10 CGCDRN CCc1[nH]ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000286642397 371532396 /nfs/dbraw/zinc/53/23/96/371532396.db2.gz BMGHLXCIWJYZHZ-UHFFFAOYSA-N 0 0 298.386 3.092 20 10 CGCDRN C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)cc1[O-] ZINC000160722747 372271577 /nfs/dbraw/zinc/27/15/77/372271577.db2.gz WGQSPKIHSJSVAT-GFCCVEGCSA-N 0 0 280.387 3.056 20 10 CGCDRN COC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccco1 ZINC000294592460 372662833 /nfs/dbraw/zinc/66/28/33/372662833.db2.gz NENKKTVCNKXGCX-OAHLLOKOSA-N 0 0 288.391 3.131 20 10 CGCDRN CC(C)C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295051557 372688794 /nfs/dbraw/zinc/68/87/94/372688794.db2.gz GRVXXDMUIMRSGD-NSHDSACASA-N 0 0 295.354 3.135 20 10 CGCDRN C[C@H](CCCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000295075800 372690988 /nfs/dbraw/zinc/69/09/88/372690988.db2.gz PRNBRXHWRDUAAE-SECBINFHSA-N 0 0 292.206 3.340 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CSC1CC1 ZINC000295364610 372752524 /nfs/dbraw/zinc/75/25/24/372752524.db2.gz WIFBWHVHRJZSAG-UHFFFAOYSA-N 0 0 279.405 3.026 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)OC1CCCC1 ZINC000295311043 372734675 /nfs/dbraw/zinc/73/46/75/372734675.db2.gz VRQIXEMJYJFWHB-UHFFFAOYSA-N 0 0 290.363 3.031 20 10 CGCDRN CC(C)C[C@H](C)OC(=O)NCc1ccccc1O ZINC000295427411 372778797 /nfs/dbraw/zinc/77/87/97/372778797.db2.gz CUWUZQLRTHZWCE-NSHDSACASA-N 0 0 251.326 3.053 20 10 CGCDRN Oc1cccc2c1[C@H]([NH2+]Cc1cccc(F)c1)CC2 ZINC000295969598 372977809 /nfs/dbraw/zinc/97/78/09/372977809.db2.gz MQITWQVHQKWXKL-CQSZACIVSA-N 0 0 257.308 3.308 20 10 CGCDRN CCC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000176603791 373615317 /nfs/dbraw/zinc/61/53/17/373615317.db2.gz PZDFPKBIEGRBTG-UHFFFAOYSA-N 0 0 299.418 3.052 20 10 CGCDRN Cc1cc[nH+]c(NCCCSc2nccs2)c1 ZINC000301754013 373803185 /nfs/dbraw/zinc/80/31/85/373803185.db2.gz CHQHWDVJJAUCKH-UHFFFAOYSA-N 0 0 265.407 3.441 20 10 CGCDRN COc1ccc(O)c(CNc2ncnc3cccc(C)c32)c1 ZINC000301510526 373783112 /nfs/dbraw/zinc/78/31/12/373783112.db2.gz CYLVXUKRUIGSQU-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN COc1cccc(CNc2ncnc3c(C)cccc23)c1O ZINC000301727584 373801183 /nfs/dbraw/zinc/80/11/83/373801183.db2.gz QSRDKROURRRJMB-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN Cc1cc(C)nc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302373493 373857618 /nfs/dbraw/zinc/85/76/18/373857618.db2.gz GWEOQXCBKWYABE-ZDUSSCGKSA-N 0 0 270.380 3.333 20 10 CGCDRN CCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180622757 374028141 /nfs/dbraw/zinc/02/81/41/374028141.db2.gz RHILRNYOLZZSIK-LBPRGKRZSA-N 0 0 283.799 3.212 20 10 CGCDRN CCCCc1nnc(NCc2cc(C)c(C)cc2O)o1 ZINC000181669804 374154174 /nfs/dbraw/zinc/15/41/74/374154174.db2.gz AHLHGVZNFVMCLK-UHFFFAOYSA-N 0 0 275.352 3.347 20 10 CGCDRN Cc1ccc(C(=O)N(CC(C)C)CC(C)C)c(O)c1O ZINC000182436650 374272229 /nfs/dbraw/zinc/27/22/29/374272229.db2.gz YPACZHRPYWBVEW-UHFFFAOYSA-N 0 0 279.380 3.160 20 10 CGCDRN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183522037 374422798 /nfs/dbraw/zinc/42/27/98/374422798.db2.gz OBYMUQNQBOMJQN-MNOVXSKESA-N 0 0 274.364 3.279 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC000471237683 375002919 /nfs/dbraw/zinc/00/29/19/375002919.db2.gz PBYYBXKDRBZHOC-GJZGRUSLSA-N 0 0 284.403 3.395 20 10 CGCDRN CC[C@H](C)N(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472242320 375013212 /nfs/dbraw/zinc/01/32/12/375013212.db2.gz RDCPKYDRVYJYHR-LBPRGKRZSA-N 0 0 287.407 3.427 20 10 CGCDRN CCCCOCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187677745 375069900 /nfs/dbraw/zinc/06/99/00/375069900.db2.gz ONPHTUQHKCSUAH-SNVBAGLBSA-N 0 0 273.323 3.138 20 10 CGCDRN Cc1cccc(CNc2ccc(OC3COC3)cc2)c1O ZINC000188851745 375281358 /nfs/dbraw/zinc/28/13/58/375281358.db2.gz YXJVQOAUPBQJEM-UHFFFAOYSA-N 0 0 285.343 3.090 20 10 CGCDRN COc1cccc2c1CCCN2C(=O)/C=C/c1cccnc1 ZINC000492801416 375454036 /nfs/dbraw/zinc/45/40/36/375454036.db2.gz BVKJCVAWMABESW-MDZDMXLPSA-N 0 0 294.354 3.083 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191183258 375591176 /nfs/dbraw/zinc/59/11/76/375591176.db2.gz VAHSJLYLIGQAQM-HZMBPMFUSA-N 0 0 293.313 3.055 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCC12CC2 ZINC000529500682 375926062 /nfs/dbraw/zinc/92/60/62/375926062.db2.gz HSJPELLNSMWBTK-AWEZNQCLSA-N 0 0 296.370 3.137 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N2CCc3ccccc32)s1 ZINC000255380095 377755416 /nfs/dbraw/zinc/75/54/16/377755416.db2.gz GVLXHGSSDMJFFM-SREVYHEPSA-N 0 0 270.357 3.054 20 10 CGCDRN COC[C@H](NCc1ccc(OC)c(C)c1)c1ccco1 ZINC000266977393 378028948 /nfs/dbraw/zinc/02/89/48/378028948.db2.gz RJKRDJNFPPZBBO-AWEZNQCLSA-N 0 0 275.348 3.074 20 10 CGCDRN Cc1[nH]ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000267337529 378036642 /nfs/dbraw/zinc/03/66/42/378036642.db2.gz IXUBUFCCAONFQF-UHFFFAOYSA-N 0 0 299.418 3.440 20 10 CGCDRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1O ZINC000267433262 378039169 /nfs/dbraw/zinc/03/91/69/378039169.db2.gz ZGTROOHJCPLMPY-KRWDZBQOSA-N 0 0 299.370 3.174 20 10 CGCDRN Cn1ccc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000271325589 378490254 /nfs/dbraw/zinc/49/02/54/378490254.db2.gz PYOGFJZCPCETFR-UHFFFAOYSA-N 0 0 267.423 3.466 20 10 CGCDRN COC1CCC([N@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000271902600 378511531 /nfs/dbraw/zinc/51/15/31/378511531.db2.gz ZPLBDALNGPYPTC-UHFFFAOYSA-N 0 0 283.799 3.435 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCc2ccsc2C1 ZINC000272311622 378610830 /nfs/dbraw/zinc/61/08/30/378610830.db2.gz RPKPJYBWGNKDTO-UHFFFAOYSA-N 0 0 263.337 3.151 20 10 CGCDRN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cnn1C ZINC000273389072 378743662 /nfs/dbraw/zinc/74/36/62/378743662.db2.gz KHBDWNRUEUDIGO-STQMWFEESA-N 0 0 287.407 3.463 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000273469414 378747926 /nfs/dbraw/zinc/74/79/26/378747926.db2.gz JJCNVGVABFCDCI-ZIBATOQPSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1cc([C@H]2CCCN2Cc2cccc(F)c2O)no1 ZINC000371532834 379168453 /nfs/dbraw/zinc/16/84/53/379168453.db2.gz BGCMTMQNECAGLH-CQSZACIVSA-N 0 0 276.311 3.165 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCO[C@H]1C1CC1 ZINC000373372169 379267534 /nfs/dbraw/zinc/26/75/34/379267534.db2.gz ZURJHXUSPNDFJA-JKSUJKDBSA-N 0 0 295.810 3.340 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1nc(C2CC2)no1 ZINC000281323809 379829842 /nfs/dbraw/zinc/82/98/42/379829842.db2.gz ACWOUACGKHXJPX-UHFFFAOYSA-N 0 0 282.347 3.359 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCC(C)=O ZINC000282427207 379917843 /nfs/dbraw/zinc/91/78/43/379917843.db2.gz HDFIRCSNIVFQJS-UHFFFAOYSA-N 0 0 291.391 3.280 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1C ZINC000283759741 380087353 /nfs/dbraw/zinc/08/73/53/380087353.db2.gz AVRNEUMAMIXGNE-NVXWUHKLSA-N 0 0 275.392 3.152 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](C)c1c(C)cc(C)cc1O ZINC000285272978 380146157 /nfs/dbraw/zinc/14/61/57/380146157.db2.gz QXWPSZVGVFNJEJ-LBPRGKRZSA-N 0 0 273.380 3.478 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(F)cc1[O-] ZINC000286134148 380164471 /nfs/dbraw/zinc/16/44/71/380164471.db2.gz OREJPHJIVCGKLK-ZUZCIYMTSA-N 0 0 291.370 3.375 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)SC)c1ccc(F)cc1[O-] ZINC000286170335 380170516 /nfs/dbraw/zinc/17/05/16/380170516.db2.gz PTULTAOPXXQSDJ-JOYOIKCWSA-N 0 0 257.374 3.324 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285537203 380150801 /nfs/dbraw/zinc/15/08/01/380150801.db2.gz BXTNBWAJRZNJMF-KFNAQCHYSA-N 0 0 292.398 3.197 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccc(F)cc1[O-] ZINC000285769220 380152423 /nfs/dbraw/zinc/15/24/23/380152423.db2.gz SRKXXKYNVXOQPU-BONVTDFDSA-N 0 0 291.370 3.375 20 10 CGCDRN Cc1cc(C)c(CNC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732269818 572456036 /nfs/dbraw/zinc/45/60/36/572456036.db2.gz VAJPVJXMLOCPMC-UHFFFAOYSA-N 0 0 275.373 3.309 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000369019564 382385288 /nfs/dbraw/zinc/38/52/88/382385288.db2.gz QMBPAXWGKZNDAC-LJQANCHMSA-N 0 0 295.382 3.414 20 10 CGCDRN Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc(N)cc1)CCC2 ZINC000237617925 291831742 /nfs/dbraw/zinc/83/17/42/291831742.db2.gz YGKSSHRGRYLCAD-UHFFFAOYSA-N 0 0 294.398 3.408 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287136909 392393772 /nfs/dbraw/zinc/39/37/72/392393772.db2.gz YZZQVPKNEZKZRV-RDDDGLTNSA-N 0 0 278.179 3.121 20 10 CGCDRN COc1cccc(OCCSc2nccs2)c1 ZINC000119190968 392395065 /nfs/dbraw/zinc/39/50/65/392395065.db2.gz YEGJILFEOXGNSU-UHFFFAOYSA-N 0 0 267.375 3.323 20 10 CGCDRN COc1cccc(CNC(=O)C(C)(C)C2CCCC2)c1O ZINC000133759409 392465440 /nfs/dbraw/zinc/46/54/40/392465440.db2.gz LWYYWTNEJQIEGZ-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000289268547 392419448 /nfs/dbraw/zinc/41/94/48/392419448.db2.gz GCNWZQGSXMOSSX-WFASDCNBSA-N 0 0 281.371 3.047 20 10 CGCDRN COc1cccc(CNc2ccnc(C(C)(C)C)n2)c1O ZINC000301546728 392595249 /nfs/dbraw/zinc/59/52/49/392595249.db2.gz UFTILBXERYVILY-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN Cc1nc2c(c(N(C)Cc3ccccc3O)n1)CCCC2 ZINC000302124452 392610461 /nfs/dbraw/zinc/61/04/61/392610461.db2.gz ZEKNCZAUTQUZAC-UHFFFAOYSA-N 0 0 283.375 3.006 20 10 CGCDRN Cc1cc(C(=O)N(C)C2CCC2)c(C)n1-c1ccccn1 ZINC000172773785 392621764 /nfs/dbraw/zinc/62/17/64/392621764.db2.gz FLPQOGMAMUPHMF-UHFFFAOYSA-N 0 0 283.375 3.114 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187805076 392791292 /nfs/dbraw/zinc/79/12/92/392791292.db2.gz NFLDOLYLMQJXOE-JTQLQIEISA-N 0 0 287.350 3.120 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnc(C)c1 ZINC000348635976 393126517 /nfs/dbraw/zinc/12/65/17/393126517.db2.gz PHOXBWQRIBFPBJ-UHFFFAOYSA-N 0 0 293.370 3.120 20 10 CGCDRN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CCO1 ZINC000272674252 393265273 /nfs/dbraw/zinc/26/52/73/393265273.db2.gz UIGRJJKNFBBFEQ-UONOGXRCSA-N 0 0 281.371 3.215 20 10 CGCDRN CC[C@H](Nc1c(C)nn(C)c1C)c1ccccc1O ZINC000020135269 171022836 /nfs/dbraw/zinc/02/28/36/171022836.db2.gz MLFLJOHFGCGDDP-ZDUSSCGKSA-N 0 0 259.353 3.306 20 10 CGCDRN Cc1ccn(C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352125784 228185391 /nfs/dbraw/zinc/18/53/91/228185391.db2.gz LUZKYEHLXWZWDS-UHFFFAOYSA-N 0 0 295.386 3.064 20 10 CGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000163642772 261324428 /nfs/dbraw/zinc/32/44/28/261324428.db2.gz SVFFIXDHBQDGQW-AWEZNQCLSA-N 0 0 282.387 3.173 20 10 CGCDRN CCCCC[C@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000182547895 261942594 /nfs/dbraw/zinc/94/25/94/261942594.db2.gz NYWWQFXODKEHII-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN CC(C)(NCc1ccc2c(c1)CCO2)c1nccs1 ZINC000116380362 261959948 /nfs/dbraw/zinc/95/99/48/261959948.db2.gz AGEUALPMXRFJMT-UHFFFAOYSA-N 0 0 274.389 3.103 20 10 CGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(F)cc1[O-] ZINC000185518687 262057950 /nfs/dbraw/zinc/05/79/50/262057950.db2.gz RAGURGDMYAZTQS-MEBBXXQBSA-N 0 0 295.379 3.151 20 10 CGCDRN Cc1nc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])sc1C ZINC000185797415 262071592 /nfs/dbraw/zinc/07/15/92/262071592.db2.gz HSUVHUULMPPNMY-SNVBAGLBSA-N 0 0 294.395 3.498 20 10 CGCDRN COc1cccc(CNc2ccc(N(C)C)cc2C)c1O ZINC000057667979 262349192 /nfs/dbraw/zinc/34/91/92/262349192.db2.gz NCDJINQPZQYQPR-UHFFFAOYSA-N 0 0 286.375 3.387 20 10 CGCDRN CCN(Cc1nc(-c2ccco2)no1)c1ccc(OC)cc1 ZINC000299330855 263239541 /nfs/dbraw/zinc/23/95/41/263239541.db2.gz BZVLEPOGUCCLPV-UHFFFAOYSA-N 0 0 299.330 3.365 20 10 CGCDRN CN(C)c1ccc(CNc2ccnc(Cl)c2)cc1 ZINC000129658207 264329907 /nfs/dbraw/zinc/32/99/07/264329907.db2.gz KNNCPZZFHZISKP-UHFFFAOYSA-N 0 0 261.756 3.413 20 10 CGCDRN Cc1c[nH]cc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352129884 265936572 /nfs/dbraw/zinc/93/65/72/265936572.db2.gz VKPGQIFLHKRXBB-UHFFFAOYSA-N 0 0 281.359 3.053 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCc3ccc(F)cc32)s1 ZINC000171995395 335087937 /nfs/dbraw/zinc/08/79/37/335087937.db2.gz WJFRDOMOXRMGFI-SNAWJCMRSA-N 0 0 288.347 3.193 20 10 CGCDRN CC[C@H]1CCCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000301868921 281076353 /nfs/dbraw/zinc/07/63/53/281076353.db2.gz CHKNQZIEUYIVCV-NSHDSACASA-N 0 0 294.351 3.238 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(F)c(F)c1[O-] ZINC000276937388 328220288 /nfs/dbraw/zinc/22/02/88/328220288.db2.gz PALSZWLCNARHHR-SNVBAGLBSA-N 0 0 287.350 3.120 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(F)cc1[O-] ZINC000285511909 328247798 /nfs/dbraw/zinc/24/77/98/328247798.db2.gz ARYBRQIMLVIVSR-MRXNPFEDSA-N 0 0 289.350 3.265 20 10 CGCDRN CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285986966 328248628 /nfs/dbraw/zinc/24/86/28/328248628.db2.gz HXFILXQVDILEAX-DZGCQCFKSA-N 0 0 269.360 3.123 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c(O)c1C ZINC000296266782 328289979 /nfs/dbraw/zinc/28/99/79/328289979.db2.gz DLSZBRDTDFMOCV-GFCCVEGCSA-N 0 0 288.395 3.101 20 10 CGCDRN Cc1nnc(NCc2ccc(N3CCCC3)cc2)s1 ZINC000077488629 326923562 /nfs/dbraw/zinc/92/35/62/326923562.db2.gz CYZJALHWHQEEQK-UHFFFAOYSA-N 0 0 274.393 3.059 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1(C)CCC1 ZINC000564622512 327015356 /nfs/dbraw/zinc/01/53/56/327015356.db2.gz ZBQBPNNPONDLNI-UHFFFAOYSA-N 0 0 285.391 3.229 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000377827034 329030633 /nfs/dbraw/zinc/03/06/33/329030633.db2.gz SDCILQVHARRUAJ-UONOGXRCSA-N 0 0 293.382 3.170 20 10 CGCDRN CCc1cnc(CNCc2c(O)cccc2Cl)s1 ZINC000230706841 329372076 /nfs/dbraw/zinc/37/20/76/329372076.db2.gz DKKCEVNUPDVZDU-UHFFFAOYSA-N 0 0 282.796 3.354 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000527803622 330284209 /nfs/dbraw/zinc/28/42/09/330284209.db2.gz HSSKRDNJFWPVLJ-GMAGZHIISA-N 0 0 287.762 3.086 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@H](C)F ZINC000454880443 331155529 /nfs/dbraw/zinc/15/55/29/331155529.db2.gz WUYBLQYDKMFZJZ-NSHDSACASA-N 0 0 291.370 3.034 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC1(C)C ZINC000471718747 331518316 /nfs/dbraw/zinc/51/83/16/331518316.db2.gz XBJPZFDAHPSDKR-HNNXBMFYSA-N 0 0 285.391 3.084 20 10 CGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(C)nc1 ZINC000492476014 332399317 /nfs/dbraw/zinc/39/93/17/332399317.db2.gz ROTMEGHJZHOQML-YVMONPNESA-N 0 0 294.354 3.001 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2c(F)cccc2F)c1 ZINC000178535758 333075010 /nfs/dbraw/zinc/07/50/10/333075010.db2.gz VXJSEYBQKRJWFD-VOTSOKGWSA-N 0 0 288.297 3.344 20 10 CGCDRN Nc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000237881265 333382015 /nfs/dbraw/zinc/38/20/15/333382015.db2.gz GDLOLJDYTTVTDD-UHFFFAOYSA-N 0 0 298.361 3.142 20 10 CGCDRN C[C@H](CCCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000294917882 334900463 /nfs/dbraw/zinc/90/04/63/334900463.db2.gz YNSJGXJOIKWNJH-SECBINFHSA-N 0 0 292.206 3.197 20 10 CGCDRN CC(=O)C(=O)CSc1nc2cc(Cl)cc(C)c2o1 ZINC000289530811 519357224 /nfs/dbraw/zinc/35/72/24/519357224.db2.gz DVGZCZKCVIWJTR-UHFFFAOYSA-N 0 0 283.736 3.040 20 10 CGCDRN CC(C)=CCC[C@H](C)NC(=O)NCc1ccccc1O ZINC000298466644 519424333 /nfs/dbraw/zinc/42/43/33/519424333.db2.gz OPVPLGNHYPUEEA-ZDUSSCGKSA-N 0 0 276.380 3.326 20 10 CGCDRN CC(C)=CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000191851283 519436802 /nfs/dbraw/zinc/43/68/02/519436802.db2.gz LGOWDLZIXPCPJD-UHFFFAOYSA-N 0 0 283.375 3.185 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc[nH]c1 ZINC000264567592 519654987 /nfs/dbraw/zinc/65/49/87/519654987.db2.gz AOXVQWIQTPSXIU-UHFFFAOYSA-N 0 0 285.391 3.132 20 10 CGCDRN CC(C)c1ccc(OCC(=O)NCc2ccccc2O)cc1 ZINC000299545755 519837991 /nfs/dbraw/zinc/83/79/91/519837991.db2.gz KDXHKNMAUJWBIZ-UHFFFAOYSA-N 0 0 299.370 3.211 20 10 CGCDRN CC1(C)CC[N@H+](Cc2cccc(F)c2[O-])CCS1 ZINC000279386582 520379938 /nfs/dbraw/zinc/37/99/38/520379938.db2.gz JWTXQPHTZXOREQ-UHFFFAOYSA-N 0 0 269.385 3.249 20 10 CGCDRN CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000278219065 520544349 /nfs/dbraw/zinc/54/43/49/520544349.db2.gz LHUXISXASWMVOC-UHFFFAOYSA-N 0 0 294.351 3.074 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2CC=CC2)cc1F ZINC000076997168 520896001 /nfs/dbraw/zinc/89/60/01/520896001.db2.gz QBSPXYPZSNBNFM-UHFFFAOYSA-N 0 0 290.382 3.254 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cc(C)ncn2)cc1 ZINC000292379099 521028451 /nfs/dbraw/zinc/02/84/51/521028451.db2.gz HFSPNORBJKIVJU-UHFFFAOYSA-N 0 0 271.364 3.210 20 10 CGCDRN CCC[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000037030058 521128056 /nfs/dbraw/zinc/12/80/56/521128056.db2.gz QZLJHGLKCWVGSP-KRWDZBQOSA-N 0 0 282.387 3.469 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C ZINC000129919905 521317719 /nfs/dbraw/zinc/31/77/19/521317719.db2.gz KQPSQFIPHNHRKA-UHFFFAOYSA-N 0 0 277.412 3.083 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1C ZINC000271009683 521321116 /nfs/dbraw/zinc/32/11/16/521321116.db2.gz ISXXQLWIAOHPKZ-UHFFFAOYSA-N 0 0 297.402 3.118 20 10 CGCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCCC1 ZINC000278194968 521330149 /nfs/dbraw/zinc/33/01/49/521330149.db2.gz ILRDMJOUAOZCEQ-UHFFFAOYSA-N 0 0 294.351 3.074 20 10 CGCDRN CCc1ccccc1NCc1cc2c(cc1O)OCO2 ZINC000042879303 521908827 /nfs/dbraw/zinc/90/88/27/521908827.db2.gz UOTWQWYLAFKLDQ-UHFFFAOYSA-N 0 0 271.316 3.295 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2[C@@H]3CCCC[C@H]23)cc1 ZINC000073407370 522165534 /nfs/dbraw/zinc/16/55/34/522165534.db2.gz CAQPVWXDIAUZEH-SJPCQFCGSA-N 0 0 286.419 3.147 20 10 CGCDRN CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000263960271 522635569 /nfs/dbraw/zinc/63/55/69/522635569.db2.gz QGYRWGNAAUNNQI-INIZCTEOSA-N 0 0 298.386 3.213 20 10 CGCDRN CCc1[nH]ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000285276708 523662792 /nfs/dbraw/zinc/66/27/92/523662792.db2.gz UBYXAIBZHCDAIL-UHFFFAOYSA-N 0 0 297.402 3.107 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)o1 ZINC000298416486 524106234 /nfs/dbraw/zinc/10/62/34/524106234.db2.gz RRUSORVBYYAKGV-UHFFFAOYSA-N 0 0 298.386 3.427 20 10 CGCDRN COc1ccc(N(C)CCc2scnc2C)c(OC)c1 ZINC000269797183 524352614 /nfs/dbraw/zinc/35/26/14/524352614.db2.gz ICKFDNKZWBUYQF-UHFFFAOYSA-N 0 0 292.404 3.148 20 10 CGCDRN COc1ccc(N(C)Cc2cncc(C)c2)cc1F ZINC000189922128 524355983 /nfs/dbraw/zinc/35/59/83/524355983.db2.gz KSRHXCMZHMSMMF-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN COc1ccc(N(Cc2ccno2)C(C)C)cc1F ZINC000264714585 524368488 /nfs/dbraw/zinc/36/84/88/524368488.db2.gz NFXZGJBWRSPLMP-UHFFFAOYSA-N 0 0 264.300 3.237 20 10 CGCDRN COc1ccc(N(Cc2ccn(C)n2)[C@@H](C)C2CC2)cc1 ZINC000272001461 524368551 /nfs/dbraw/zinc/36/85/51/524368551.db2.gz RQDGTMZLIJYRMW-ZDUSSCGKSA-N 0 0 285.391 3.234 20 10 CGCDRN Cc1ccc(C[C@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000272396490 524672004 /nfs/dbraw/zinc/67/20/04/524672004.db2.gz YKKAGDNQSYSXDA-AWEZNQCLSA-N 0 0 283.371 3.196 20 10 CGCDRN Cc1ccc(C[C@H](C)NC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000237544467 524675955 /nfs/dbraw/zinc/67/59/55/524675955.db2.gz XZGRPBZNRPVIMB-HNNXBMFYSA-N 0 0 296.414 3.176 20 10 CGCDRN C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000278836796 525421486 /nfs/dbraw/zinc/42/14/86/525421486.db2.gz PGXPAXOFMGMDOS-GFCCVEGCSA-N 0 0 293.382 3.125 20 10 CGCDRN C[C@@H]([NH2+]CCCc1nccs1)c1ccc(F)c(F)c1[O-] ZINC000276879076 525444664 /nfs/dbraw/zinc/44/46/64/525444664.db2.gz FWQNHUBOUUVBMY-SECBINFHSA-N 0 0 298.358 3.410 20 10 CGCDRN C[C@H](Sc1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000189838840 526007069 /nfs/dbraw/zinc/00/70/69/526007069.db2.gz PMGBQZJOLSDXBV-VIFPVBQESA-N 0 0 299.442 3.400 20 10 CGCDRN COc1cccc(CNC(=O)c2occc2C(C)C)c1O ZINC000284697801 526008620 /nfs/dbraw/zinc/00/86/20/526008620.db2.gz DAERWUNMAUATSY-UHFFFAOYSA-N 0 0 289.331 3.047 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000289592366 526328998 /nfs/dbraw/zinc/32/89/98/526328998.db2.gz UPSMLQIIIBHQTK-UHFFFAOYSA-N 0 0 273.307 3.414 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000278575161 526330454 /nfs/dbraw/zinc/33/04/54/526330454.db2.gz CMVYSZAOVUFXAI-UHFFFAOYSA-N 0 0 286.350 3.095 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCOCC1CC1 ZINC000294353608 526333515 /nfs/dbraw/zinc/33/35/15/526333515.db2.gz SULQDEOVTDFONA-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN Cc1nc(C(C)C)oc1C(=O)N(C)Cc1ccccc1O ZINC000293384090 526670064 /nfs/dbraw/zinc/67/00/64/526670064.db2.gz MXJHJEMVITYXKY-UHFFFAOYSA-N 0 0 288.347 3.084 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@H]1CCCCC1(F)F ZINC000296581587 526753848 /nfs/dbraw/zinc/75/38/48/526753848.db2.gz FNMOJXVMRDSHBX-GFCCVEGCSA-N 0 0 298.333 3.017 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@H](c1ccccc1)C1CC1 ZINC000299507643 526753964 /nfs/dbraw/zinc/75/39/64/526753964.db2.gz NBELZZBGVZYNCG-QGZVFWFLSA-N 0 0 296.370 3.343 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@H]2CCNC(=O)CC2)s1 ZINC000296095859 526828416 /nfs/dbraw/zinc/82/84/16/526828416.db2.gz UHQSNAVWGLQASU-SNVBAGLBSA-N 0 0 298.477 3.449 20 10 CGCDRN Cn1cc(NCc2c(O)cccc2Cl)c(C2CC2)n1 ZINC000291280927 527275004 /nfs/dbraw/zinc/27/50/04/527275004.db2.gz OQYFRWPMMZPKAI-UHFFFAOYSA-N 0 0 277.755 3.269 20 10 CGCDRN CN(C(=O)/C=C\c1cncs1)c1cccc2ncccc21 ZINC000493352286 535939383 /nfs/dbraw/zinc/93/93/83/535939383.db2.gz LRGOEESCIIPQEN-FPLPWBNLSA-N 0 0 295.367 3.368 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1c[nH]cc1C ZINC000727168895 571729348 /nfs/dbraw/zinc/72/93/48/571729348.db2.gz ZRJPHAAGFBGSEY-UHFFFAOYSA-N 0 0 272.348 3.081 20 10 CGCDRN CCCCCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000728978473 571851955 /nfs/dbraw/zinc/85/19/55/571851955.db2.gz QAJHEHYIULHUSQ-LLVKDONJSA-N 0 0 265.353 3.158 20 10 CGCDRN 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Cc1ccc(NC(=O)NCc2ccccc2O)c(C)c1 ZINC000748438639 572976749 /nfs/dbraw/zinc/97/67/49/572976749.db2.gz OYUHUFGWHSBMCJ-UHFFFAOYSA-N 0 0 270.332 3.331 20 10 CGCDRN CC[C@@H](C)Oc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000750238376 573103962 /nfs/dbraw/zinc/10/39/62/573103962.db2.gz GDSZYRLRHJKOLY-CYBMUJFWSA-N 0 0 299.370 3.500 20 10 CGCDRN C[C@@H](CC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000890758364 617814863 /nfs/dbraw/zinc/81/48/63/617814863.db2.gz WGROOOCSZVMXNE-VIFPVBQESA-N 0 0 267.756 3.098 20 10 CGCDRN CC(C)Oc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000049412003 617607302 /nfs/dbraw/zinc/60/73/02/617607302.db2.gz APOSLPKCJCOUPU-WQLSENKSSA-N 0 0 293.413 3.305 20 10 CGCDRN C[C@H]1CCC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759380 617815424 /nfs/dbraw/zinc/81/54/24/617815424.db2.gz AHZBJZCTJZXKLS-QWRGUYRKSA-N 0 0 281.783 3.488 20 10 CGCDRN CC1(C)CC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760044 617815743 /nfs/dbraw/zinc/81/57/43/617815743.db2.gz ZGAUXZUXNNLRFD-JTQLQIEISA-N 0 0 281.783 3.488 20 10 CGCDRN 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3.121 20 10 CGCDRN C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903397410 621721550 /nfs/dbraw/zinc/72/15/50/621721550.db2.gz YJHNQKVJUNKWJV-FYBVGQRMSA-N 0 0 290.190 3.385 20 10 CGCDRN COc1cccc(CNc2ccc(Cl)nc2)c1O ZINC000149465034 622315273 /nfs/dbraw/zinc/31/52/73/622315273.db2.gz GWZDIBHHYQSQPN-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000149591648 622345759 /nfs/dbraw/zinc/34/57/59/622345759.db2.gz DFBZKSNSPBGYHP-MWLCHTKSSA-N 0 0 255.358 3.078 20 10 CGCDRN O=C(OC[C@H]1CCCC2(CCC2)O1)C1=CC(=O)CS1 ZINC000909003464 622382892 /nfs/dbraw/zinc/38/28/92/622382892.db2.gz NRGSASYPMCTXOV-LLVKDONJSA-N 0 0 282.361 3.102 20 10 CGCDRN CC(C)CCCCCC(=O)NCc1ccc(O)cc1O ZINC000910950797 622510378 /nfs/dbraw/zinc/51/03/78/622510378.db2.gz IYGTXTXNHWSIDF-UHFFFAOYSA-N 0 0 279.380 3.321 20 10 CGCDRN CCOc1ccc(N(C)Cc2csc(C)n2)cc1 ZINC000150730460 622656876 /nfs/dbraw/zinc/65/68/76/622656876.db2.gz DIDFHCFFBHWSME-UHFFFAOYSA-N 0 0 262.378 3.487 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)C)cc1F ZINC000150844533 622687348 /nfs/dbraw/zinc/68/73/48/622687348.db2.gz LAFHSTZAEDEYFG-UHFFFAOYSA-N 0 0 295.402 3.270 20 10 CGCDRN O=[N+]([O-])c1c(F)cccc1NCc1ccccc1O ZINC000163774632 622801400 /nfs/dbraw/zinc/80/14/00/622801400.db2.gz RTMSQSVLKAMFDL-UHFFFAOYSA-N 0 0 262.240 3.052 20 10 CGCDRN Cc1cc(C)c(O)c(CN(CC(F)F)C2CC2)c1 ZINC000164306217 622828153 /nfs/dbraw/zinc/82/81/53/622828153.db2.gz URFHTASMUZVXDI-UHFFFAOYSA-N 0 0 255.308 3.239 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)ccc1O ZINC000156867666 622848950 /nfs/dbraw/zinc/84/89/50/622848950.db2.gz XCFUMGYDRCWREO-UHFFFAOYSA-N 0 0 299.370 3.459 20 10 CGCDRN CC[C@@H](C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057660825 622880599 /nfs/dbraw/zinc/88/05/99/622880599.db2.gz HLZJBKPSGHIOIO-CYBMUJFWSA-N 0 0 289.423 3.009 20 10 CGCDRN COc1ccc(O)c(CNc2ccccc2N(C)C)c1 ZINC000057715935 622881567 /nfs/dbraw/zinc/88/15/67/622881567.db2.gz WOCIOEUCTRPMLW-UHFFFAOYSA-N 0 0 272.348 3.079 20 10 CGCDRN CSCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168790132 623014427 /nfs/dbraw/zinc/01/44/27/623014427.db2.gz BZBPSZCHMNBSFD-NXEZZACHSA-N 0 0 257.374 3.324 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC000228031758 623036507 /nfs/dbraw/zinc/03/65/07/623036507.db2.gz FPYGXRLBWWGRPP-BLLLJJGKSA-N 0 0 291.366 3.498 20 10 CGCDRN Cc1ccccc1C1(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000171566498 623172796 /nfs/dbraw/zinc/17/27/96/623172796.db2.gz CTQJKBWMEURJHP-UHFFFAOYSA-N 0 0 295.382 3.391 20 10 CGCDRN CC(C)CN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1 ZINC000914513633 623817485 /nfs/dbraw/zinc/81/74/85/623817485.db2.gz DVSFHPHUQTUFGD-KTKRTIGZSA-N 0 0 283.375 3.123 20 10 CGCDRN CCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000914758201 623856992 /nfs/dbraw/zinc/85/69/92/623856992.db2.gz NWISCYPQZTZOIZ-UHFFFAOYSA-N 0 0 270.376 3.494 20 10 CGCDRN O=C1O[C@@H](CSc2nccs2)CN1C1CCCCC1 ZINC000842548159 624107334 /nfs/dbraw/zinc/10/73/34/624107334.db2.gz JRCHJMALNHPGDU-LLVKDONJSA-N 0 0 298.433 3.389 20 10 CGCDRN O=C1O[C@H](CSc2nccs2)CN1C1CCCCC1 ZINC000842548160 624107858 /nfs/dbraw/zinc/10/78/58/624107858.db2.gz JRCHJMALNHPGDU-NSHDSACASA-N 0 0 298.433 3.389 20 10 CGCDRN CCc1onc(C)c1CSc1ncc(C(=O)OC)s1 ZINC000917777993 624311037 /nfs/dbraw/zinc/31/10/37/624311037.db2.gz NUZXONNJPZVPGL-UHFFFAOYSA-N 0 0 298.389 3.081 20 10 CGCDRN CC(C)N(C(=O)NCCCSc1nccs1)C1CC1 ZINC000154610490 624328113 /nfs/dbraw/zinc/32/81/13/624328113.db2.gz RMGSLLWXKGKTEU-UHFFFAOYSA-N 0 0 299.465 3.208 20 10 CGCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000918667736 624366532 /nfs/dbraw/zinc/36/65/32/624366532.db2.gz IDOFZRHETORRTB-WDZFZDKYSA-N 0 0 297.402 3.394 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc(C#N)cs1 ZINC000154910856 624392059 /nfs/dbraw/zinc/39/20/59/624392059.db2.gz XQAAQDIQFVOTRS-UHFFFAOYSA-N 0 0 299.399 3.085 20 10 CGCDRN Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(N)cc1 ZINC000237867040 624696271 /nfs/dbraw/zinc/69/62/71/624696271.db2.gz OFMTXLNTCVYSMQ-UHFFFAOYSA-N 0 0 284.146 3.166 20 10 CGCDRN Nc1ccc(CC(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000237928862 624704878 /nfs/dbraw/zinc/70/48/78/624704878.db2.gz CLNQKCDUUYYZDT-UHFFFAOYSA-N 0 0 299.355 3.167 20 10 CGCDRN CC(C)CCC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180624121 624761172 /nfs/dbraw/zinc/76/11/72/624761172.db2.gz PURIOZFTCJGQCE-AORWBKJGSA-N 0 0 291.391 3.442 20 10 CGCDRN COc1ccc(N(C)Cc2cnc3c(C)cccn23)cc1F ZINC000180774562 624771252 /nfs/dbraw/zinc/77/12/52/624771252.db2.gz COWBXDPSFRPYLM-UHFFFAOYSA-N 0 0 299.349 3.427 20 10 CGCDRN CCCn1cc(CN(C)c2ccc(OC)c(F)c2)cn1 ZINC000180773315 624771412 /nfs/dbraw/zinc/77/14/12/624771412.db2.gz QGFKIIOCMDNNRH-UHFFFAOYSA-N 0 0 277.343 3.077 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C)c3ccccc32)c(O)c1O ZINC000182056224 624936408 /nfs/dbraw/zinc/93/64/08/624936408.db2.gz LUMUANQQZKAGBB-NSHDSACASA-N 0 0 283.327 3.170 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N(CC)C(C)C ZINC000182521864 625010544 /nfs/dbraw/zinc/01/05/44/625010544.db2.gz ROERDTBXVCHVRP-UHFFFAOYSA-N 0 0 291.439 3.425 20 10 CGCDRN Cc1cccc(C[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC000183369807 625067889 /nfs/dbraw/zinc/06/78/89/625067889.db2.gz KERCWBWJDPCODT-UHFFFAOYSA-N 0 0 296.414 3.018 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(C(=O)N(C)C)cc2)c1 ZINC000071407334 625090863 /nfs/dbraw/zinc/09/08/63/625090863.db2.gz FWLGKTRQTVOUHP-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCc3c2cccc3F)c1 ZINC000183741065 625122983 /nfs/dbraw/zinc/12/29/83/625122983.db2.gz LYDKGUINJYVKSU-AATRIKPKSA-N 0 0 282.318 3.132 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCO1 ZINC000186181814 625734748 /nfs/dbraw/zinc/73/47/48/625734748.db2.gz RNENWFHOEHYREA-XEGUGMAKSA-N 0 0 267.344 3.140 20 10 CGCDRN COc1ccc(N(CCOCC(F)F)C(C)C)cc1F ZINC000189646155 625746315 /nfs/dbraw/zinc/74/63/15/625746315.db2.gz UJFCEJZFZZIRPY-UHFFFAOYSA-N 0 0 291.313 3.331 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922885978 626064621 /nfs/dbraw/zinc/06/46/21/626064621.db2.gz CDQYBYIBROXCLW-AWEZNQCLSA-N 0 0 290.313 3.233 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923029897 626123965 /nfs/dbraw/zinc/12/39/65/626123965.db2.gz LMEGJUNTDCTNPG-ZDUSSCGKSA-N 0 0 299.773 3.376 20 10 CGCDRN CCC(CC)C(=O)NCCCSc1nccs1 ZINC000074135970 626125164 /nfs/dbraw/zinc/12/51/64/626125164.db2.gz CWZPOKKIPRQJRU-UHFFFAOYSA-N 0 0 272.439 3.178 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000074788784 626126926 /nfs/dbraw/zinc/12/69/26/626126926.db2.gz VXCUDGMQIBTEFW-NWDGAFQWSA-N 0 0 294.395 3.025 20 10 CGCDRN CC[C@H]1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000838651339 626240784 /nfs/dbraw/zinc/24/07/84/626240784.db2.gz ZPBIBMBTSSQBGI-KBPBESRZSA-N 0 0 290.407 3.360 20 10 CGCDRN CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC(F)F ZINC000103458790 626348752 /nfs/dbraw/zinc/34/87/52/626348752.db2.gz ARRHMMXHVKKZOY-UHFFFAOYSA-N 0 0 273.323 3.092 20 10 CGCDRN CC(C)=CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751300002 626384360 /nfs/dbraw/zinc/38/43/60/626384360.db2.gz RZWNBQZBOLGDRJ-UHFFFAOYSA-N 0 0 292.342 3.301 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000751361388 626385888 /nfs/dbraw/zinc/38/58/88/626385888.db2.gz RXMXJMQDGPWLLF-SJORKVTESA-N 0 0 286.419 3.147 20 10 CGCDRN CN1CCc2cc(/C=C3\C(=O)Oc4ccccc43)ccc21 ZINC000751520505 626393985 /nfs/dbraw/zinc/39/39/85/626393985.db2.gz BGCILTSIWSBYDD-PTNGSMBKSA-N 0 0 277.323 3.139 20 10 CGCDRN CCc1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC000752663589 626434754 /nfs/dbraw/zinc/43/47/54/626434754.db2.gz YGBLLMFXPBIAOU-UHFFFAOYSA-N 0 0 265.309 3.408 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)[C@@H]1C ZINC000752973231 626442752 /nfs/dbraw/zinc/44/27/52/626442752.db2.gz GTDDDNFHMRNALG-JSGCOSHPSA-N 0 0 289.423 3.001 20 10 CGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1ccc(C)nc1 ZINC000754304195 626566896 /nfs/dbraw/zinc/56/68/96/626566896.db2.gz MLTGKWSHMYSRCH-SOFGYWHQSA-N 0 0 294.354 3.137 20 10 CGCDRN CCCN(C(=O)/C=C/c1ccc(C)nc1)c1cccnc1 ZINC000754339621 626568390 /nfs/dbraw/zinc/56/83/90/626568390.db2.gz LWJCKOSXBFELNV-CMDGGOBGSA-N 0 0 281.359 3.241 20 10 CGCDRN C[C@H]1CCCN(C(=O)/C=C/c2cnn(C)c2)c2ccccc21 ZINC000754610106 626579255 /nfs/dbraw/zinc/57/92/55/626579255.db2.gz XZILHUODGKIKLR-HBWSCVEGSA-N 0 0 295.386 3.364 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCCCC1 ZINC000756443690 626706083 /nfs/dbraw/zinc/70/60/83/626706083.db2.gz UGQLFEXHTMUIRJ-NEPJUHHUSA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@H]([NH2+]CCOC1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756490661 626709393 /nfs/dbraw/zinc/70/93/93/626709393.db2.gz QQTILEDJPHTAGL-JTQLQIEISA-N 0 0 285.334 3.280 20 10 CGCDRN CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756533111 626712801 /nfs/dbraw/zinc/71/28/01/626712801.db2.gz HABRCJISDATNIE-WDEREUQCSA-N 0 0 286.366 3.051 20 10 CGCDRN CCC(CC)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756556559 626714343 /nfs/dbraw/zinc/71/43/43/626714343.db2.gz OQZMADTXBGCTGO-NSHDSACASA-N 0 0 279.380 3.266 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nccc(C)n2)cc1 ZINC000756580649 626717979 /nfs/dbraw/zinc/71/79/79/626717979.db2.gz ROXMLIVRLLZHQW-UHFFFAOYSA-N 0 0 271.364 3.210 20 10 CGCDRN C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccncc1 ZINC000756636374 626722472 /nfs/dbraw/zinc/72/24/72/626722472.db2.gz XDBNYXZEVPHQRN-NWDGAFQWSA-N 0 0 274.339 3.381 20 10 CGCDRN CCCN(CC)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756637107 626723311 /nfs/dbraw/zinc/72/33/11/626723311.db2.gz MUMLRQNSMCCOEB-LLVKDONJSA-N 0 0 286.366 3.053 20 10 CGCDRN CN(CCOc1ccccc1F)c1ccc2c(c1)OCO2 ZINC000756653522 626724719 /nfs/dbraw/zinc/72/47/19/626724719.db2.gz LCWGEENCXZIIKS-UHFFFAOYSA-N 0 0 289.306 3.070 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000756711169 626726683 /nfs/dbraw/zinc/72/66/83/626726683.db2.gz JFVYUPGAKWJBBI-DTWKUNHWSA-N 0 0 255.308 3.367 20 10 CGCDRN CC(C)CC1(CNC(=O)NCc2ccccc2O)CCC1 ZINC000756971412 626744674 /nfs/dbraw/zinc/74/46/74/626744674.db2.gz ZAXPBIAWDLBJBY-UHFFFAOYSA-N 0 0 290.407 3.408 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCc2c1cccc2Cl ZINC000757438825 626777704 /nfs/dbraw/zinc/77/77/04/626777704.db2.gz NWMSKQKUAHEJFL-UHFFFAOYSA-N 0 0 279.748 3.310 20 10 CGCDRN Cc1nnc(CN[C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000757637316 626796224 /nfs/dbraw/zinc/79/62/24/626796224.db2.gz HIMQPSQVMQPEOK-JTQLQIEISA-N 0 0 277.393 3.020 20 10 CGCDRN Cc1nnc(CN[C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000757638565 626796351 /nfs/dbraw/zinc/79/63/51/626796351.db2.gz LZZCVLYVTPHGOM-ZETCQYMHSA-N 0 0 283.784 3.056 20 10 CGCDRN Cc1ccccc1NC(=O)COc1ccc(N(C)C)cc1 ZINC000757702278 626802403 /nfs/dbraw/zinc/80/24/03/626802403.db2.gz FELKKGOLUQHUEQ-UHFFFAOYSA-N 0 0 284.359 3.079 20 10 CGCDRN CCOC(=O)CCCCCN(C)c1ccc(OC)c(F)c1 ZINC000757851199 626810253 /nfs/dbraw/zinc/81/02/53/626810253.db2.gz DXWOIXZCDWEECX-UHFFFAOYSA-N 0 0 297.370 3.394 20 10 CGCDRN COc1ccc(N(C)CCOc2ccccc2F)cc1F ZINC000757852621 626810396 /nfs/dbraw/zinc/81/03/96/626810396.db2.gz PSRQYUNYWMZNMO-UHFFFAOYSA-N 0 0 293.313 3.489 20 10 CGCDRN Cc1cnc(NCc2ccc(N3CCCCC3)cc2)nc1 ZINC000758145590 626831251 /nfs/dbraw/zinc/83/12/51/626831251.db2.gz ZRHDTKSVIKGZSO-UHFFFAOYSA-N 0 0 282.391 3.387 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2O)C[C@H]1C ZINC000758431844 626843147 /nfs/dbraw/zinc/84/31/47/626843147.db2.gz LFPJCYKUPIQEPS-YRGRVCCFSA-N 0 0 276.380 3.016 20 10 CGCDRN Cc1ccc(CN(C)C(=O)C2=CC(=O)CS2)cc1C ZINC000839791070 626859866 /nfs/dbraw/zinc/85/98/66/626859866.db2.gz FVCCPSSFVCLILN-UHFFFAOYSA-N 0 0 275.373 3.343 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCOC[C@H]2CCCO2)cc1 ZINC000759915594 626931340 /nfs/dbraw/zinc/93/13/40/626931340.db2.gz PXJAXVQGDSJWKZ-QGZVFWFLSA-N 0 0 293.407 3.106 20 10 CGCDRN CCN1C(=O)/C(=C\c2cnc(Cl)c(C)c2)SC1=S ZINC000760212192 626944742 /nfs/dbraw/zinc/94/47/42/626944742.db2.gz IWRDPQMWDFEMHW-WEVVVXLNSA-N 0 0 298.820 3.265 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ccc2O)cc1OC ZINC000761222935 627025993 /nfs/dbraw/zinc/02/59/93/627025993.db2.gz YNFSDHJZKDJOOQ-UHFFFAOYSA-N 0 0 287.359 3.354 20 10 CGCDRN CC(C)CN(C(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000762555017 627115734 /nfs/dbraw/zinc/11/57/34/627115734.db2.gz KGKRTVSDSPBQTM-UHFFFAOYSA-N 0 0 267.394 3.495 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccnc(OC)c1 ZINC000762920834 627132182 /nfs/dbraw/zinc/13/21/82/627132182.db2.gz YJTLVHHUPUBWQY-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(F)=C1CCCC1 ZINC000763046883 627138244 /nfs/dbraw/zinc/13/82/44/627138244.db2.gz FIPBQWRZWQSQCR-UHFFFAOYSA-N 0 0 290.382 3.475 20 10 CGCDRN Cc1cccc(F)c1NC(=O)NCc1ccccc1O ZINC000764681538 627218337 /nfs/dbraw/zinc/21/83/37/627218337.db2.gz BEKUHYXQGSEQCV-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccoc1Cl ZINC000764832403 627227796 /nfs/dbraw/zinc/22/77/96/627227796.db2.gz VWCBVRUAVUPNQW-UHFFFAOYSA-N 0 0 292.766 3.237 20 10 CGCDRN O=C(Cc1ccco1)NCc1ccc(N2CCCCC2)cc1 ZINC000765307784 627245607 /nfs/dbraw/zinc/24/56/07/627245607.db2.gz LHQOANGVSSVXQG-UHFFFAOYSA-N 0 0 298.386 3.129 20 10 CGCDRN CCOc1ccc(O)c(CN2CCOc3ccccc32)c1 ZINC000765636297 627264460 /nfs/dbraw/zinc/26/44/60/627264460.db2.gz PUBBSKDEANDXBZ-UHFFFAOYSA-N 0 0 285.343 3.190 20 10 CGCDRN COc1ccc2c(c1)N(Cc1cc(C)c(C)cc1O)CCO2 ZINC000765651780 627265487 /nfs/dbraw/zinc/26/54/87/627265487.db2.gz LDBSXJOEDJNHKI-UHFFFAOYSA-N 0 0 299.370 3.417 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2C3CCC2CC3)c1[O-] ZINC000768228875 627469433 /nfs/dbraw/zinc/46/94/33/627469433.db2.gz LCGUMTNXVPXUHM-UHFFFAOYSA-N 0 0 282.727 3.081 20 10 CGCDRN Cc1cccc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)n1 ZINC000768256405 627471140 /nfs/dbraw/zinc/47/11/40/627471140.db2.gz JTTVNFJOOHTTRC-CYBMUJFWSA-N 0 0 288.372 3.134 20 10 CGCDRN CC[C@H](C)C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768771415 627497917 /nfs/dbraw/zinc/49/79/17/627497917.db2.gz WUDZMVMMMCOQKD-VIFPVBQESA-N 0 0 286.759 3.432 20 10 CGCDRN C[N@H+](Cc1ccoc1)Cc1cc(Cl)ccc1O ZINC000769003084 627515559 /nfs/dbraw/zinc/51/55/59/627515559.db2.gz AKHODTOGTFHWFM-UHFFFAOYSA-N 0 0 251.713 3.271 20 10 CGCDRN CCCN(Cc1ccc(OCC)cc1O)CC(F)F ZINC000769224643 627531737 /nfs/dbraw/zinc/53/17/37/627531737.db2.gz VVTIEYHRTBHHNN-UHFFFAOYSA-N 0 0 273.323 3.268 20 10 CGCDRN Cc1ccc2c(CC(=O)NCc3ccccc3O)coc2c1 ZINC000769362931 627545111 /nfs/dbraw/zinc/54/51/11/627545111.db2.gz AIBWSQRDTDUGIW-UHFFFAOYSA-N 0 0 295.338 3.306 20 10 CGCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1 ZINC000769502848 627560587 /nfs/dbraw/zinc/56/05/87/627560587.db2.gz BOEDARRCSRVDST-LJQANCHMSA-N 0 0 296.414 3.326 20 10 CGCDRN COc1ccc(CCOc2ccc(N(C)C)cc2)cc1 ZINC000810001503 627571686 /nfs/dbraw/zinc/57/16/86/627571686.db2.gz FGGCQFGHCFCUAC-UHFFFAOYSA-N 0 0 271.360 3.383 20 10 CGCDRN CCOc1ccc(N(CC)CCO[C@@H]2CCCCO2)cc1 ZINC000769745956 627576056 /nfs/dbraw/zinc/57/60/56/627576056.db2.gz HNQXKKOLSIGCRG-QGZVFWFLSA-N 0 0 293.407 3.455 20 10 CGCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(O)c1 ZINC000770470755 627620107 /nfs/dbraw/zinc/62/01/07/627620107.db2.gz ZOQRPFRWTGDISP-FNORWQNLSA-N 0 0 294.354 3.088 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc(C(F)F)s1 ZINC000770462685 627620591 /nfs/dbraw/zinc/62/05/91/627620591.db2.gz YHZVDUMRSWYYQC-UHFFFAOYSA-N 0 0 298.362 3.462 20 10 CGCDRN Cn1cnc2cc(NCc3ccc4[nH]cnc4c3)ccc21 ZINC000770590147 627629746 /nfs/dbraw/zinc/62/97/46/627629746.db2.gz WFSNKQCUMWACRG-UHFFFAOYSA-N 0 0 277.331 3.062 20 10 CGCDRN CCC1(CC)[C@H](NC(=O)C2=CC(=O)CS2)[C@@H](C)[C@@H]1OC ZINC000771417373 627708012 /nfs/dbraw/zinc/70/80/12/627708012.db2.gz IGTJKURLOYNZCZ-WQAKAFBOSA-N 0 0 297.420 3.023 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000771893347 627742180 /nfs/dbraw/zinc/74/21/80/627742180.db2.gz HHWAKMZNKDJEJD-IAGOWNOFSA-N 0 0 288.435 3.393 20 10 CGCDRN Cc1c(NC(=O)C2=CC(=O)CS2)cnn1-c1ccccc1 ZINC000772536471 627801532 /nfs/dbraw/zinc/80/15/32/627801532.db2.gz WDGFVOCGAGFPES-UHFFFAOYSA-N 0 0 299.355 3.200 20 10 CGCDRN COc1ccsc1CN1CCc2cc(OC)ccc21 ZINC000772596846 627804939 /nfs/dbraw/zinc/80/49/39/627804939.db2.gz BKRTUNQBPCYDQV-UHFFFAOYSA-N 0 0 275.373 3.328 20 10 CGCDRN CCCCSCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772994439 627838857 /nfs/dbraw/zinc/83/88/57/627838857.db2.gz NALPNPPWPIASKQ-ZDUSSCGKSA-N 0 0 294.464 3.463 20 10 CGCDRN C[C@H](NC(=O)CCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000772996385 627839358 /nfs/dbraw/zinc/83/93/58/627839358.db2.gz DLSNDSDFCHMXSY-ZDUSSCGKSA-N 0 0 286.375 3.156 20 10 CGCDRN CCc1ccnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773018648 627843344 /nfs/dbraw/zinc/84/33/44/627843344.db2.gz MQMKWGQUJIWPBU-ZDUSSCGKSA-N 0 0 297.402 3.201 20 10 CGCDRN CS[C@@H](C)CCC(=O)NCc1ccc(N(C)C)cc1C ZINC000773304576 627872613 /nfs/dbraw/zinc/87/26/13/627872613.db2.gz XBEFZJRXWMVOOQ-ZDUSSCGKSA-N 0 0 294.464 3.209 20 10 CGCDRN C[C@@H](NC(=O)N1C[C@H](C)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773621661 627900398 /nfs/dbraw/zinc/90/03/98/627900398.db2.gz ZYVPGSCYKOELDD-HZSPNIEDSA-N 0 0 289.423 3.254 20 10 CGCDRN CCC(CC)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773763352 627913348 /nfs/dbraw/zinc/91/33/48/627913348.db2.gz UIVVTCRTPPTMAU-NWDGAFQWSA-N 0 0 293.407 3.217 20 10 CGCDRN C[C@H]([NH2+]Cc1cc[nH]n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774170413 627955726 /nfs/dbraw/zinc/95/57/26/627955726.db2.gz DCDURXOYRNQPOD-ZETCQYMHSA-N 0 0 286.162 3.273 20 10 CGCDRN CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775030157 628054925 /nfs/dbraw/zinc/05/49/25/628054925.db2.gz QYYXYYNYCWEVQI-MNOVXSKESA-N 0 0 296.367 3.223 20 10 CGCDRN CC[C@H](NCc1cocn1)c1cc(Cl)ccc1O ZINC000775538117 628104928 /nfs/dbraw/zinc/10/49/28/628104928.db2.gz ULKWASHLYXXPQE-LBPRGKRZSA-N 0 0 266.728 3.275 20 10 CGCDRN CCC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000775708862 628128376 /nfs/dbraw/zinc/12/83/76/628128376.db2.gz PFPJUFZYFJACRW-AWEZNQCLSA-N 0 0 283.799 3.355 20 10 CGCDRN CC(C)n1ccnc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834691 628140973 /nfs/dbraw/zinc/14/09/73/628140973.db2.gz COKDBCITWDFHCK-CQSZACIVSA-N 0 0 286.423 3.381 20 10 CGCDRN CC(C)[C@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000776048501 628161212 /nfs/dbraw/zinc/16/12/12/628161212.db2.gz NTJFHEKPKUUIOK-QGZVFWFLSA-N 0 0 299.418 3.003 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CCCCCC2)c1 ZINC000776174211 628176069 /nfs/dbraw/zinc/17/60/69/628176069.db2.gz DAJGFAIMWLLMRS-UHFFFAOYSA-N 0 0 278.352 3.360 20 10 CGCDRN COc1cccnc1NCc1ccc(N2CCCC2)cc1 ZINC000776252313 628184524 /nfs/dbraw/zinc/18/45/24/628184524.db2.gz BJLMQJZNDDNZRX-UHFFFAOYSA-N 0 0 283.375 3.303 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000776251625 628184677 /nfs/dbraw/zinc/18/46/77/628184677.db2.gz PGHQFXJPNZAZFY-SECBINFHSA-N 0 0 279.689 3.462 20 10 CGCDRN COc1ccc2ccc(O)c(CN3CCC(F)(F)C3)c2c1 ZINC000776294713 628189585 /nfs/dbraw/zinc/18/95/85/628189585.db2.gz WAYWUYJHESTPQN-UHFFFAOYSA-N 0 0 293.313 3.395 20 10 CGCDRN CCCc1nnc(NCc2c(O)cccc2Cl)s1 ZINC000777508873 628276545 /nfs/dbraw/zinc/27/65/45/628276545.db2.gz UHOYVNFEAPMMHH-UHFFFAOYSA-N 0 0 283.784 3.462 20 10 CGCDRN O=C1N[C@@H](c2cccc(F)c2O)Nc2cc(Cl)ccc21 ZINC000778520364 628354088 /nfs/dbraw/zinc/35/40/88/628354088.db2.gz VAJAQTCPPSQZHX-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN COc1cc(CSc2nccs2)ccc1[N+](=O)[O-] ZINC000778555896 628357381 /nfs/dbraw/zinc/35/73/81/628357381.db2.gz DQXBBNNSEUXOOO-UHFFFAOYSA-N 0 0 282.346 3.352 20 10 CGCDRN COc1ccc(N(C)Cc2cncc(F)c2)cc1F ZINC000779165217 628392242 /nfs/dbraw/zinc/39/22/42/628392242.db2.gz CKVBYXVRRPITTR-UHFFFAOYSA-N 0 0 264.275 3.005 20 10 CGCDRN CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000779215527 628394832 /nfs/dbraw/zinc/39/48/32/628394832.db2.gz AOXBPUQPRBCEDU-CYBMUJFWSA-N 0 0 290.190 3.046 20 10 CGCDRN C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000779489677 628415553 /nfs/dbraw/zinc/41/55/53/628415553.db2.gz RMMDOZZVNCYMIK-KJJQSCHISA-N 0 0 297.354 3.031 20 10 CGCDRN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779489673 628415561 /nfs/dbraw/zinc/41/55/61/628415561.db2.gz RMMDOZZVNCYMIK-AORWBKJGSA-N 0 0 297.354 3.031 20 10 CGCDRN CC(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779511310 628416069 /nfs/dbraw/zinc/41/60/69/628416069.db2.gz UJGDZJSJWFHIEW-OWNNVSBGSA-N 0 0 289.375 3.148 20 10 CGCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(O)c2)C1 ZINC000779663914 628419667 /nfs/dbraw/zinc/41/96/67/628419667.db2.gz SIROLYKTYOZKBX-YBJDMEARSA-N 0 0 294.354 3.026 20 10 CGCDRN C[C@H]1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000780538310 628496806 /nfs/dbraw/zinc/49/68/06/628496806.db2.gz NNKRGZXQGKRBLS-QWRGUYRKSA-N 0 0 299.465 3.113 20 10 CGCDRN CC[C@H]1C[C@@H](CN2CCc3cc(OC)ccc32)CCO1 ZINC000780754368 628514646 /nfs/dbraw/zinc/51/46/46/628514646.db2.gz NZPYVZLKTIXUTR-ZFWWWQNUSA-N 0 0 275.392 3.263 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccc(O)c1 ZINC000780767795 628515752 /nfs/dbraw/zinc/51/57/52/628515752.db2.gz YIYORKLZASTPAJ-UHFFFAOYSA-N 0 0 269.344 3.354 20 10 CGCDRN CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 ZINC000780778892 628516940 /nfs/dbraw/zinc/51/69/40/628516940.db2.gz WUJAEKJGUHYKRA-UHFFFAOYSA-N 0 0 277.270 3.330 20 10 CGCDRN Cc1nc2c(s1)[C@@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC000780788950 628518659 /nfs/dbraw/zinc/51/86/59/628518659.db2.gz FHCYJHZWIICCSE-JTQLQIEISA-N 0 0 294.401 3.026 20 10 CGCDRN Cc1ccc(N(C)C(=O)c2ccc(C)c(O)c2O)cc1C ZINC000780903487 628523363 /nfs/dbraw/zinc/52/33/63/628523363.db2.gz KBNVQWLCLNTPRG-UHFFFAOYSA-N 0 0 285.343 3.300 20 10 CGCDRN Cc1ccc(C(=O)NCC[C@@H](C)c2ccccc2)c(O)c1O ZINC000780921885 628524495 /nfs/dbraw/zinc/52/44/95/628524495.db2.gz XJXPYTIENZSCPV-GFCCVEGCSA-N 0 0 299.370 3.330 20 10 CGCDRN Cc1ccc(C(=O)N2CCC(CC(C)C)CC2)c(O)c1O ZINC000780969493 628527241 /nfs/dbraw/zinc/52/72/41/628527241.db2.gz SKSYRXXJTAZPKW-UHFFFAOYSA-N 0 0 291.391 3.305 20 10 CGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H]2CCCC[C@H]21 ZINC000782877797 628665329 /nfs/dbraw/zinc/66/53/29/628665329.db2.gz HELUKANCWKWVQV-ADEWGFFLSA-N 0 0 265.378 3.104 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000783306273 628701893 /nfs/dbraw/zinc/70/18/93/628701893.db2.gz GBPYNBKANDMNIU-MDZLAQPJSA-N 0 0 277.364 3.018 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000783520900 628720935 /nfs/dbraw/zinc/72/09/35/628720935.db2.gz SXEFIEDOGYEYTM-WCQYABFASA-N 0 0 279.380 3.163 20 10 CGCDRN C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccccc1O ZINC000783532843 628722309 /nfs/dbraw/zinc/72/23/09/628722309.db2.gz WMBZJTFVVKZQNR-TZMCWYRMSA-N 0 0 296.370 3.169 20 10 CGCDRN CSCc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000783933836 628757981 /nfs/dbraw/zinc/75/79/81/628757981.db2.gz OCIDHCKUTMPYTL-UHFFFAOYSA-N 0 0 293.413 3.247 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1CCc2cccc(F)c21 ZINC000784079989 628776494 /nfs/dbraw/zinc/77/64/94/628776494.db2.gz PHUXKUXRJJKBLJ-WAYWQWQTSA-N 0 0 282.318 3.132 20 10 CGCDRN CCCC(CCC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784351406 628808169 /nfs/dbraw/zinc/80/81/69/628808169.db2.gz NGOKMDHCIUFIEA-UHFFFAOYSA-N 0 0 294.347 3.040 20 10 CGCDRN CCNC(=O)Nc1ccc(C)c(NCc2ccccc2O)c1 ZINC000785555936 628870863 /nfs/dbraw/zinc/87/08/63/628870863.db2.gz WJQGKUGENVNEIU-UHFFFAOYSA-N 0 0 299.374 3.454 20 10 CGCDRN CC1(C)CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000785635725 628876612 /nfs/dbraw/zinc/87/66/12/628876612.db2.gz XRNYMBAEIUSKLP-CFNZNRNTSA-N 0 0 289.375 3.196 20 10 CGCDRN COCCSCCCN1CCCc2cc(OC)ccc21 ZINC000785636528 628876629 /nfs/dbraw/zinc/87/66/29/628876629.db2.gz IRANOQQVKKTDMO-UHFFFAOYSA-N 0 0 295.448 3.218 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000875392897 634696110 /nfs/dbraw/zinc/69/61/10/634696110.db2.gz NVWFJZOLAXZTPA-LBPRGKRZSA-N 0 0 298.333 3.078 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c(C)n1-c1ccccn1 ZINC000787720851 629024883 /nfs/dbraw/zinc/02/48/83/629024883.db2.gz LWUUDCGPXMJQGX-HALDLXJZSA-N 0 0 295.386 3.017 20 10 CGCDRN C=C/C(C)=C/CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000788626349 629070290 /nfs/dbraw/zinc/07/02/90/629070290.db2.gz MGUSBFNVIGBPNO-VGOFMYFVSA-N 0 0 272.392 3.233 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788787092 629081879 /nfs/dbraw/zinc/08/18/79/629081879.db2.gz YNEZERRXBRSTSP-NXEZZACHSA-N 0 0 289.297 3.241 20 10 CGCDRN COC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788822623 629084797 /nfs/dbraw/zinc/08/47/97/629084797.db2.gz MWMKGHNAMNIPKU-RKDXNWHRSA-N 0 0 277.286 3.097 20 10 CGCDRN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(O)c1O ZINC000790486687 629212813 /nfs/dbraw/zinc/21/28/13/629212813.db2.gz YVALBJFKUHZSPI-FRRDWIJNSA-N 0 0 289.375 3.187 20 10 CGCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]2CCCC[C@@H]12 ZINC000790861895 629238294 /nfs/dbraw/zinc/23/82/94/629238294.db2.gz NOOMNADBZKEVLR-MBNYWOFBSA-N 0 0 289.375 3.139 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000790977666 629245347 /nfs/dbraw/zinc/24/53/47/629245347.db2.gz NBXTXEZFQVFOMJ-ZETCQYMHSA-N 0 0 279.689 3.462 20 10 CGCDRN CN(C)c1cc(F)c(CN(CC(F)F)C2CC2)cc1F ZINC000862239288 629328779 /nfs/dbraw/zinc/32/87/79/629328779.db2.gz AYKFLHAFCBVDHI-UHFFFAOYSA-N 0 0 290.304 3.260 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)C(F)F ZINC000792096854 629336618 /nfs/dbraw/zinc/33/66/18/629336618.db2.gz KGLXLVRMTXNFSX-UHFFFAOYSA-N 0 0 298.377 3.392 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)c[nH]2)cc1Cl ZINC000862306893 629342966 /nfs/dbraw/zinc/34/29/66/629342966.db2.gz QIJXNVGLTVSTAF-UHFFFAOYSA-N 0 0 265.744 3.017 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cc(C)ccn1 ZINC000792202492 629349556 /nfs/dbraw/zinc/34/95/56/629349556.db2.gz KVHVTBAOBPDSPB-UHFFFAOYSA-N 0 0 268.360 3.351 20 10 CGCDRN Cc1cc(O)c(Cn2cnc3c2CCCC3)cc1Cl ZINC000862432113 629371159 /nfs/dbraw/zinc/37/11/59/629371159.db2.gz RSXOIZVVRFMGNZ-UHFFFAOYSA-N 0 0 276.767 3.478 20 10 CGCDRN COc1ccc2c(c1)CCN2CCCc1ccc(C)nc1 ZINC000792759708 629378974 /nfs/dbraw/zinc/37/89/74/629378974.db2.gz CCCQVPAJRDONAR-UHFFFAOYSA-N 0 0 282.387 3.394 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862754829 629428864 /nfs/dbraw/zinc/42/88/64/629428864.db2.gz LCYGXAOSOIGZLY-GXTWGEPZSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@]2(C)CC=C(C)CC2)c1 ZINC000862754239 629429009 /nfs/dbraw/zinc/42/90/09/629429009.db2.gz VPDXFJLGYWXRMR-QGZVFWFLSA-N 0 0 273.376 3.453 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000862754401 629429301 /nfs/dbraw/zinc/42/93/01/629429301.db2.gz DHVPUGAVFFTRFK-QAPCUYQASA-N 0 0 299.345 3.202 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2cc(C)ccc2O)s1 ZINC000862756550 629430097 /nfs/dbraw/zinc/43/00/97/629430097.db2.gz ZZTHYRZDKMDHAW-UHFFFAOYSA-N 0 0 289.400 3.320 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C(F)=C2CCCC2)c1 ZINC000862757630 629430147 /nfs/dbraw/zinc/43/01/47/629430147.db2.gz AIVBPLIDAJSZLZ-UHFFFAOYSA-N 0 0 263.312 3.114 20 10 CGCDRN CCO[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862759077 629430724 /nfs/dbraw/zinc/43/07/24/629430724.db2.gz UPRICPDWURQMGR-QGZVFWFLSA-N 0 0 299.370 3.095 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C=C2CCCCC2)c1 ZINC000862758789 629430877 /nfs/dbraw/zinc/43/08/77/629430877.db2.gz LHQXHUXKIKPBEO-UHFFFAOYSA-N 0 0 259.349 3.207 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000862759892 629430943 /nfs/dbraw/zinc/43/09/43/629430943.db2.gz KELIXNYAZSSHGZ-OAHLLOKOSA-N 0 0 295.382 3.437 20 10 CGCDRN Cc1cc(C(=O)N(C2CC2)C2CC2)c(C)n1-c1ccccn1 ZINC000862852454 629442189 /nfs/dbraw/zinc/44/21/89/629442189.db2.gz KOABCMAGVXMAHL-UHFFFAOYSA-N 0 0 295.386 3.256 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(F)(F)CC1 ZINC000793361468 629447758 /nfs/dbraw/zinc/44/77/58/629447758.db2.gz HKAWTZNENMIIJM-UHFFFAOYSA-N 0 0 279.689 3.416 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](OC)[C@@H](C)CC ZINC000793654927 629493558 /nfs/dbraw/zinc/49/35/58/629493558.db2.gz GUZJJNINBSCMIG-BBRMVZONSA-N 0 0 293.407 3.192 20 10 CGCDRN CCC(CC)[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794382056 629538581 /nfs/dbraw/zinc/53/85/81/629538581.db2.gz WSFCKDFJNVOXQC-NSHDSACASA-N 0 0 279.380 3.089 20 10 CGCDRN COc1ccc(CNC(=O)/C(C)=C\C(C)(C)C)c(O)c1 ZINC000794390159 629539489 /nfs/dbraw/zinc/53/94/89/629539489.db2.gz ZFNMENLRGXRVOG-LUAWRHEFSA-N 0 0 277.364 3.009 20 10 CGCDRN O=C1NC(=S)S/C1=C/C=C/c1ccc(F)c(F)c1 ZINC000794691335 629567807 /nfs/dbraw/zinc/56/78/07/629567807.db2.gz OXJOUEZNSNBIIC-XZMAOYBGSA-N 0 0 283.324 3.010 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000794826302 629582529 /nfs/dbraw/zinc/58/25/29/629582529.db2.gz AXBBGEKWMBATOB-LLVKDONJSA-N 0 0 277.364 3.020 20 10 CGCDRN CC(C)c1cccc(NC(=O)CN(C)c2ccc(N)cc2)c1 ZINC000863556706 629605547 /nfs/dbraw/zinc/60/55/47/629605547.db2.gz CYXXGSYDSKYZBB-UHFFFAOYSA-N 0 0 297.402 3.467 20 10 CGCDRN CO[C@H](CN(C)c1ccc(N)cc1)C1CCCCC1 ZINC000863558772 629606532 /nfs/dbraw/zinc/60/65/32/629606532.db2.gz WWRRRGULYDNUFV-MRXNPFEDSA-N 0 0 262.397 3.300 20 10 CGCDRN CC/C=C\CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836405510 634757698 /nfs/dbraw/zinc/75/76/98/634757698.db2.gz HBCULEVJEPXGHW-FMFIFOJESA-N 0 0 275.396 3.079 20 10 CGCDRN CN(Cc1c[nH]cn1)Cc1ccc(N2CCCCC2)cc1 ZINC000796439794 629781186 /nfs/dbraw/zinc/78/11/86/629781186.db2.gz WUPPYGOSETZPFV-UHFFFAOYSA-N 0 0 284.407 3.032 20 10 CGCDRN CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796758235 629826758 /nfs/dbraw/zinc/82/67/58/629826758.db2.gz BTBAWGRSCYNBOC-DIOULYMOSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796838793 629845098 /nfs/dbraw/zinc/84/50/98/629845098.db2.gz ZOKDCEIQOQRXKY-JSGCOSHPSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(F)cc1[O-] ZINC000796947957 629864136 /nfs/dbraw/zinc/86/41/36/629864136.db2.gz KVSFGFBBQIIDDT-UGFHNGPFSA-N 0 0 281.371 3.123 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@]12C[C@H]1CCCC2 ZINC000864862468 629936022 /nfs/dbraw/zinc/93/60/22/629936022.db2.gz JCZPRDSXDZXHJS-VQIMIIECSA-N 0 0 298.430 3.483 20 10 CGCDRN Cc1cc(NCc2c(O)cccc2Cl)ccc1C(N)=O ZINC000798085199 630021195 /nfs/dbraw/zinc/02/11/95/630021195.db2.gz LXBLODPAQIPISD-UHFFFAOYSA-N 0 0 290.750 3.065 20 10 CGCDRN C[C@@H]1C[C@@H]1c1nnc(NCc2c(O)cccc2Cl)o1 ZINC000865295727 630057791 /nfs/dbraw/zinc/05/77/91/630057791.db2.gz KOPFAEZFMVXRSG-SFYZADRCSA-N 0 0 279.727 3.164 20 10 CGCDRN Cc1cccc(C(=O)N(C)Cc2ccccc2O)c1F ZINC000121461864 634795523 /nfs/dbraw/zinc/79/55/23/634795523.db2.gz ZIBBUQDUZMNBIK-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN CCSCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000800492718 630288315 /nfs/dbraw/zinc/28/83/15/630288315.db2.gz NFPQZQZHBGUFMM-SECBINFHSA-N 0 0 275.364 3.464 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccccc1 ZINC000839913616 630294273 /nfs/dbraw/zinc/29/42/73/630294273.db2.gz MPKAPKBWJOBDPC-HNNXBMFYSA-N 0 0 296.414 3.422 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC1CCC1 ZINC000839918047 630294994 /nfs/dbraw/zinc/29/49/94/630294994.db2.gz IYJRORIOOVYXOF-AWEZNQCLSA-N 0 0 288.435 3.298 20 10 CGCDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)c1O ZINC000808709477 630296956 /nfs/dbraw/zinc/29/69/56/630296956.db2.gz WRPFKWACVNNMJW-ZJUUUORDSA-N 0 0 279.771 3.489 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCC(F)F ZINC000839921898 630297270 /nfs/dbraw/zinc/29/72/70/630297270.db2.gz OGZXDKJDVUGUHO-GFCCVEGCSA-N 0 0 298.377 3.154 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCc3cc(F)ccc32)cn1 ZINC000801076290 630322768 /nfs/dbraw/zinc/32/27/68/630322768.db2.gz ZVSSYDGNXVYZRS-QPJJXVBHSA-N 0 0 282.318 3.132 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000808725646 630348602 /nfs/dbraw/zinc/34/86/02/630348602.db2.gz ZMZVGDALINKYGZ-SNVBAGLBSA-N 0 0 287.350 3.384 20 10 CGCDRN CCN(CC)c1ccc(CN2CCOCC23CC3)cc1F ZINC000802658887 630403740 /nfs/dbraw/zinc/40/37/40/630403740.db2.gz TVOZWLHZBYNSJZ-UHFFFAOYSA-N 0 0 292.398 3.037 20 10 CGCDRN CCc1cc(CC)nc(NCc2ccc(N(C)C)cc2)n1 ZINC000804330182 630520976 /nfs/dbraw/zinc/52/09/76/630520976.db2.gz NVMIYTXJQKHCED-UHFFFAOYSA-N 0 0 284.407 3.280 20 10 CGCDRN CC(=O)C(=O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000808011366 630618222 /nfs/dbraw/zinc/61/82/22/630618222.db2.gz UUGWTGAWAKBDLE-UHFFFAOYSA-N 0 0 295.360 3.199 20 10 CGCDRN Cc1cc(Cl)cc([C@@H](C)NCc2ccon2)c1O ZINC000808700606 630666377 /nfs/dbraw/zinc/66/63/77/630666377.db2.gz NLRMJYDXQUKNOV-SECBINFHSA-N 0 0 266.728 3.193 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cncc(OC)c1 ZINC000808707867 630667570 /nfs/dbraw/zinc/66/75/70/630667570.db2.gz BCDVOTJGISIDIT-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN Cc1cnc(C)c(NCc2c(O)ccc3c2CCCC3)n1 ZINC000811808414 631121837 /nfs/dbraw/zinc/12/18/37/631121837.db2.gz IQHXQLDMAYXODV-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH+]2CC(C3CC3)C2)c1 ZINC000812776312 631306504 /nfs/dbraw/zinc/30/65/04/631306504.db2.gz TZHCJFXEUJASTJ-UHFFFAOYSA-N 0 0 296.208 3.305 20 10 CGCDRN Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(N)cc1 ZINC000876504062 634848296 /nfs/dbraw/zinc/84/82/96/634848296.db2.gz IQBUKHJUGBBWLU-UHFFFAOYSA-N 0 0 269.348 3.348 20 10 CGCDRN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000840276737 631338889 /nfs/dbraw/zinc/33/88/89/631338889.db2.gz NILJRNJCEVKWGZ-KBPBESRZSA-N 0 0 290.407 3.406 20 10 CGCDRN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000837094960 634853601 /nfs/dbraw/zinc/85/36/01/634853601.db2.gz MAUOCUDJPZCNTJ-NWDGAFQWSA-N 0 0 277.364 3.057 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)CF)cc1 ZINC000814423165 631579848 /nfs/dbraw/zinc/57/98/48/631579848.db2.gz ZUXDVUHASHLKCW-ZDUSSCGKSA-N 0 0 295.402 3.032 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815565344 631796305 /nfs/dbraw/zinc/79/63/05/631796305.db2.gz LETMAGLCEUOOBQ-ZJUUUORDSA-N 0 0 289.297 3.098 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cc[nH]c(=O)c1 ZINC000815642539 631810656 /nfs/dbraw/zinc/81/06/56/631810656.db2.gz FKRXBIMTCZSZRD-ZJUUUORDSA-N 0 0 276.311 3.044 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1[O-] ZINC000815642375 631810788 /nfs/dbraw/zinc/81/07/88/631810788.db2.gz AEQLMFJWLJYBIM-IINYFYTJSA-N 0 0 290.338 3.434 20 10 CGCDRN CC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000817415109 632144587 /nfs/dbraw/zinc/14/45/87/632144587.db2.gz OMOMTYZCIMCCGI-NEPJUHHUSA-N 0 0 269.772 3.093 20 10 CGCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc(C)n1 ZINC000817588734 632193255 /nfs/dbraw/zinc/19/32/55/632193255.db2.gz JPVALVJCQMPINP-GFCCVEGCSA-N 0 0 274.339 3.394 20 10 CGCDRN C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952096 632248076 /nfs/dbraw/zinc/24/80/76/632248076.db2.gz NEIVBXQZJAYNHB-DTWKUNHWSA-N 0 0 289.206 3.102 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000817958084 632253272 /nfs/dbraw/zinc/25/32/72/632253272.db2.gz HHEUCQRVZVJVKS-HZPDHXFCSA-N 0 0 294.414 3.480 20 10 CGCDRN CC(C)(C)c1cnc(CCC(=O)Nc2ccc(N)cc2)o1 ZINC000818556331 632333750 /nfs/dbraw/zinc/33/37/50/632333750.db2.gz MMMZOMVIHCPOGN-UHFFFAOYSA-N 0 0 287.363 3.126 20 10 CGCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000819196838 632399379 /nfs/dbraw/zinc/39/93/79/632399379.db2.gz TURHWQGJHMAEDB-JSGCOSHPSA-N 0 0 292.398 3.334 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820329615 632606931 /nfs/dbraw/zinc/60/69/31/632606931.db2.gz LDKKLOBMSLELBJ-MNOVXSKESA-N 0 0 290.367 3.404 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)C2CC3(CC3)C2)C2CC2)cc1 ZINC000821033685 632715097 /nfs/dbraw/zinc/71/50/97/632715097.db2.gz XMLWLISXBQMYIF-UHFFFAOYSA-N 0 0 298.430 3.434 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000821842124 632833346 /nfs/dbraw/zinc/83/33/46/632833346.db2.gz INANVPUEGNMUEZ-NXHRZFHOSA-N 0 0 298.430 3.339 20 10 CGCDRN CCCc1nsc(N[C@H](C)c2ccccc2O)n1 ZINC000866237383 633039357 /nfs/dbraw/zinc/03/93/57/633039357.db2.gz ISGJCTKFNGEJMJ-SECBINFHSA-N 0 0 263.366 3.369 20 10 CGCDRN C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823599073 633125708 /nfs/dbraw/zinc/12/57/08/633125708.db2.gz ABXDMFCRQAODDU-SNVBAGLBSA-N 0 0 288.351 3.110 20 10 CGCDRN CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000866414314 633127156 /nfs/dbraw/zinc/12/71/56/633127156.db2.gz CYDCDDVELIOHFS-PWSUYJOCSA-N 0 0 271.788 3.247 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cnn3c2CCCC3)c1 ZINC000866461581 633145076 /nfs/dbraw/zinc/14/50/76/633145076.db2.gz RQJSMOFPWMVACW-NSHDSACASA-N 0 0 287.363 3.107 20 10 CGCDRN C[C@@H](CC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000823752029 633149049 /nfs/dbraw/zinc/14/90/49/633149049.db2.gz BDGFKRNFFJSHEG-JTQLQIEISA-N 0 0 266.341 3.215 20 10 CGCDRN CC[C@@H](CC(=O)NCc1cccc(OC)c1O)C(C)(C)C ZINC000866764268 633240171 /nfs/dbraw/zinc/24/01/71/633240171.db2.gz RQGVPNKDAOVGJS-ZDUSSCGKSA-N 0 0 293.407 3.479 20 10 CGCDRN CC/C=C(/F)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000867503584 633248826 /nfs/dbraw/zinc/24/88/26/633248826.db2.gz MRZWBOJQLFQCHH-JBARUQGQSA-N 0 0 264.344 3.193 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000824596765 633263122 /nfs/dbraw/zinc/26/31/22/633263122.db2.gz LEIMVSPGXUEHJB-ZANVPECISA-N 0 0 289.778 3.335 20 10 CGCDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000121802495 633265700 /nfs/dbraw/zinc/26/57/00/633265700.db2.gz CFLUXIWKANEBIZ-UHFFFAOYSA-N 0 0 290.294 3.379 20 10 CGCDRN CCn1ccnc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000121893547 633275104 /nfs/dbraw/zinc/27/51/04/633275104.db2.gz ORBJGRBRNDWJAS-UHFFFAOYSA-N 0 0 279.771 3.201 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000824815446 633295212 /nfs/dbraw/zinc/29/52/12/633295212.db2.gz PHADIHVQVBZQIB-NOZJJQNGSA-N 0 0 287.762 3.042 20 10 CGCDRN CC[C@@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868139797 633298567 /nfs/dbraw/zinc/29/85/67/633298567.db2.gz FNEJIRQPPBXWMD-UTUOFQBUSA-N 0 0 264.369 3.187 20 10 CGCDRN CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868139793 633298837 /nfs/dbraw/zinc/29/88/37/633298837.db2.gz FNEJIRQPPBXWMD-QJPTWQEYSA-N 0 0 264.369 3.187 20 10 CGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](CO)CC(C)(C)C ZINC000825039981 633320938 /nfs/dbraw/zinc/32/09/38/633320938.db2.gz DZDVFITYBUHIQU-GFCCVEGCSA-N 0 0 285.815 3.275 20 10 CGCDRN CCCc1ncc(CNCc2c(O)cccc2Cl)o1 ZINC000825086879 633327056 /nfs/dbraw/zinc/32/70/56/633327056.db2.gz WHLIFMIBMYIGIU-UHFFFAOYSA-N 0 0 280.755 3.276 20 10 CGCDRN CC(C)=CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868534241 633333434 /nfs/dbraw/zinc/33/34/34/633333434.db2.gz ZTAGWCXXFATZAI-LBPRGKRZSA-N 0 0 262.353 3.109 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CCCCS1)c1ccccc1O ZINC000868551682 633335022 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634896197 /nfs/dbraw/zinc/89/61/97/634896197.db2.gz DONJQNMMLPQUEO-KRWDZBQOSA-N 0 0 283.371 3.274 20 10 CGCDRN CCc1cnc(CN(C)Cc2ccc(C)cc2O)s1 ZINC000876779972 634898289 /nfs/dbraw/zinc/89/82/89/634898289.db2.gz PNTYAUFMVGDJDQ-UHFFFAOYSA-N 0 0 276.405 3.352 20 10 CGCDRN COCCOc1cccc(NCc2ccc(C)cc2O)c1 ZINC000876822781 634907698 /nfs/dbraw/zinc/90/76/98/634907698.db2.gz KYRQOAUGCLWZQP-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN Cc1ccc(CNc2cccc(C[S@](C)=O)c2)c(O)c1 ZINC000876861851 634915501 /nfs/dbraw/zinc/91/55/01/634915501.db2.gz GBZIWMFRXASPSH-FQEVSTJZSA-N 0 0 289.400 3.191 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCC(F)(F)C1 ZINC000837589460 634943620 /nfs/dbraw/zinc/94/36/20/634943620.db2.gz ZRRAYWYBIBDUEQ-FWEMWIAWSA-N 0 0 298.285 3.090 20 10 CGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877075029 634972487 /nfs/dbraw/zinc/97/24/87/634972487.db2.gz YSJOTUOBKVZOQE-DOMZBBRYSA-N 0 0 260.381 3.448 20 10 CGCDRN CN(C(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccc(N)cc1 ZINC000877074803 634972963 /nfs/dbraw/zinc/97/29/63/634972963.db2.gz SIUIWSXBZPKNBP-LSDHHAIUSA-N 0 0 258.365 3.058 20 10 CGCDRN CC[C@H]1CCCC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077163 634974884 /nfs/dbraw/zinc/97/48/84/634974884.db2.gz YGZMPDLKPARHQO-SWLSCSKDSA-N 0 0 260.381 3.448 20 10 CGCDRN CCCc1nc(C)c(C(=O)N(C)c2ccc(N)cc2)s1 ZINC000877077628 634975920 /nfs/dbraw/zinc/97/59/20/634975920.db2.gz PEBVFAUDVGOZBI-UHFFFAOYSA-N 0 0 289.404 3.263 20 10 CGCDRN CC(C)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000126361457 635002338 /nfs/dbraw/zinc/00/23/38/635002338.db2.gz HCRLADTTYIVGQB-UHFFFAOYSA-N 0 0 285.343 3.151 20 10 CGCDRN COC1CCC(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877335618 635027668 /nfs/dbraw/zinc/02/76/68/635027668.db2.gz IISXCXNWQARDNV-UHFFFAOYSA-N 0 0 299.361 3.355 20 10 CGCDRN COc1ccc(N(C)CC2CCSCC2)cc1OC ZINC000877343118 635029044 /nfs/dbraw/zinc/02/90/44/635029044.db2.gz VMMFWIRVYCARCS-UHFFFAOYSA-N 0 0 281.421 3.283 20 10 CGCDRN [O-]c1c(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc(F)c1F ZINC000877464834 635047578 /nfs/dbraw/zinc/04/75/78/635047578.db2.gz RYNXCEBWLNOKFB-CQSZACIVSA-N 0 0 297.345 3.061 20 10 CGCDRN C[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000209510162 635056394 /nfs/dbraw/zinc/05/63/94/635056394.db2.gz NDKZWWYFJRBYAR-CHOZFAJLSA-N 0 0 298.338 3.458 20 10 CGCDRN Cc1cc(O)c(CNc2ncn(C(C)(C)C)n2)c(Cl)c1 ZINC000840883631 635073022 /nfs/dbraw/zinc/07/30/22/635073022.db2.gz UUFXIBIOPQUHKI-UHFFFAOYSA-N 0 0 294.786 3.313 20 10 CGCDRN CC[C@H](N[C@H](C)c1csnn1)c1ccc(C)cc1O ZINC000840885305 635074177 /nfs/dbraw/zinc/07/41/77/635074177.db2.gz BKAZZOSAZSICCL-PWSUYJOCSA-N 0 0 277.393 3.354 20 10 CGCDRN COCC(C)(C)CCC[NH2+]Cc1ccc(C)cc1O ZINC000877533466 635076277 /nfs/dbraw/zinc/07/62/77/635076277.db2.gz OMAIHWZBKVGTFX-UHFFFAOYSA-N 0 0 265.397 3.243 20 10 CGCDRN Cc1ccc(CN2CCC(=O)N(C)c3ccccc32)c(O)c1 ZINC000877534541 635076357 /nfs/dbraw/zinc/07/63/57/635076357.db2.gz CQBFBUFVSLRZJW-UHFFFAOYSA-N 0 0 296.370 3.074 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN(C)Cc1nccs1 ZINC000840918536 635082254 /nfs/dbraw/zinc/08/22/54/635082254.db2.gz VEGSLMFDJYZVTG-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN CSC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877547776 635082919 /nfs/dbraw/zinc/08/29/19/635082919.db2.gz JTQMJXSCTVBEDB-JTQLQIEISA-N 0 0 287.375 3.245 20 10 CGCDRN Cc1cc(O)c(CN2CC(C(F)F)C2)c(Cl)c1 ZINC000840953752 635092420 /nfs/dbraw/zinc/09/24/20/635092420.db2.gz YPFQPDCTZGWEKT-UHFFFAOYSA-N 0 0 261.699 3.051 20 10 CGCDRN CC(C)(C)CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000840998872 635102155 /nfs/dbraw/zinc/10/21/55/635102155.db2.gz ZWFMJTNVJLZIJY-LBPRGKRZSA-N 0 0 299.798 3.415 20 10 CGCDRN COCc1ccc(NCc2ccc(C)cc2O)cc1OC ZINC000877659513 635135660 /nfs/dbraw/zinc/13/56/60/635135660.db2.gz VCSIIHRERBROEV-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841296472 635148445 /nfs/dbraw/zinc/14/84/45/635148445.db2.gz SZKCEWKXGJTLFL-BLLLJJGKSA-N 0 0 296.374 3.279 20 10 CGCDRN Nc1ccc(NC(=O)N(CC2CC2)CC2CCC2)cc1 ZINC000841297050 635148944 /nfs/dbraw/zinc/14/89/44/635148944.db2.gz LVKBCHXHJUBBQH-UHFFFAOYSA-N 0 0 273.380 3.313 20 10 CGCDRN Nc1ccc(NC(=O)N2CC(C3CCCCC3)C2)cc1 ZINC000841300360 635149330 /nfs/dbraw/zinc/14/93/30/635149330.db2.gz VWBRUHFZSCYQJD-UHFFFAOYSA-N 0 0 273.380 3.313 20 10 CGCDRN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC1(C)C ZINC000841452156 635178107 /nfs/dbraw/zinc/17/81/07/635178107.db2.gz ZCMFYFIFLJZGFH-KELULYIISA-N 0 0 289.375 3.052 20 10 CGCDRN CC(C)(O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000877754026 635182617 /nfs/dbraw/zinc/18/26/17/635182617.db2.gz RHUIOGUCGWNGET-UHFFFAOYSA-N 0 0 283.799 3.029 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(Cl)cc1[O-] ZINC000841751183 635225593 /nfs/dbraw/zinc/22/55/93/635225593.db2.gz MEUPTKPFIRUBLD-WDEREUQCSA-N 0 0 285.815 3.493 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755786 635229608 /nfs/dbraw/zinc/22/96/08/635229608.db2.gz RXYXUTBAHCUWLE-NEPJUHHUSA-N 0 0 285.815 3.495 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756840 635230122 /nfs/dbraw/zinc/23/01/22/635230122.db2.gz AOYBXRYZLHBTFU-IINYFYTJSA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Cl)cc1[O-] ZINC000841758258 635231253 /nfs/dbraw/zinc/23/12/53/635231253.db2.gz KVZMYYAQBSCWJO-CKQAKLJMSA-N 0 0 283.799 3.390 20 10 CGCDRN CC[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841832095 635241513 /nfs/dbraw/zinc/24/15/13/635241513.db2.gz GZIXXBXOTMCAOI-CJNGLKHVSA-N 0 0 289.423 3.079 20 10 CGCDRN CC(C)=CCC[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841908157 635251878 /nfs/dbraw/zinc/25/18/78/635251878.db2.gz LHSGBPMSTVOIHX-CQSZACIVSA-N 0 0 289.423 3.245 20 10 CGCDRN C[C@H]1CCC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958281 635252831 /nfs/dbraw/zinc/25/28/31/635252831.db2.gz XUFQPPVDPJCXPJ-XJKSGUPXSA-N 0 0 289.423 3.031 20 10 CGCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CC1(C)C ZINC000842192115 635310401 /nfs/dbraw/zinc/31/04/01/635310401.db2.gz VSMNFWSPVJCHRM-ZIAGYGMSSA-N 0 0 290.407 3.358 20 10 CGCDRN Nc1ccc(Cc2noc([C@H]3CCCCS3)n2)cc1 ZINC000843158482 635587505 /nfs/dbraw/zinc/58/75/05/635587505.db2.gz DIVSVAJCDINXPI-GFCCVEGCSA-N 0 0 275.377 3.201 20 10 CGCDRN Nc1ccc(Cc2nc([C@@H]3CCCOC3)cs2)cc1 ZINC000843289711 635638564 /nfs/dbraw/zinc/63/85/64/635638564.db2.gz WRYLHFUSGDQGBA-GFCCVEGCSA-N 0 0 274.389 3.210 20 10 CGCDRN CN(C)c1ccc(CNCc2ccno2)c(C(F)(F)F)c1 ZINC000843402837 635660430 /nfs/dbraw/zinc/66/04/30/635660430.db2.gz PQOQMWARJAUXFZ-UHFFFAOYSA-N 0 0 299.296 3.049 20 10 CGCDRN CC(C)Oc1ccc(N(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000843499098 635681315 /nfs/dbraw/zinc/68/13/15/635681315.db2.gz DHKSVMYPRARRGS-UHFFFAOYSA-N 0 0 298.386 3.262 20 10 CGCDRN CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647686 635825968 /nfs/dbraw/zinc/82/59/68/635825968.db2.gz IHKJVMXTGZYKKJ-CYBMUJFWSA-N 0 0 298.386 3.244 20 10 CGCDRN COc1ccc(N(C)Cc2nccn2CC(F)(F)F)cc1 ZINC000844353623 635878525 /nfs/dbraw/zinc/87/85/25/635878525.db2.gz SDSFMTDIDSFQHQ-UHFFFAOYSA-N 0 0 299.296 3.090 20 10 CGCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)C1CCC1 ZINC000845075041 636004821 /nfs/dbraw/zinc/00/48/21/636004821.db2.gz KGUJNXCYOBCZHY-VIFPVBQESA-N 0 0 282.771 3.033 20 10 CGCDRN CSc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000845519142 636044321 /nfs/dbraw/zinc/04/43/21/636044321.db2.gz LLDOTCJEGRVEML-LLVKDONJSA-N 0 0 288.420 3.438 20 10 CGCDRN CCc1cc(NCc2cc(Cl)ccc2O)nc(C)n1 ZINC000845709248 636084677 /nfs/dbraw/zinc/08/46/77/636084677.db2.gz PHRUQILEQKRJSO-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC000845832685 636104573 /nfs/dbraw/zinc/10/45/73/636104573.db2.gz FVHHCADXZUKKKP-WKPIXPDZSA-N 0 0 289.375 3.014 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000881440893 636109812 /nfs/dbraw/zinc/10/98/12/636109812.db2.gz PTMRYJUDQUIVKP-STQMWFEESA-N 0 0 291.391 3.165 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCOC1 ZINC000846051070 636138478 /nfs/dbraw/zinc/13/84/78/636138478.db2.gz ARJDKSPUCQNYMT-NSHDSACASA-N 0 0 287.762 3.186 20 10 CGCDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000846051592 636138909 /nfs/dbraw/zinc/13/89/09/636138909.db2.gz GWADSCNRHOOMIE-SNVBAGLBSA-N 0 0 287.762 3.186 20 10 CGCDRN COc1cccc([C@H](C)N[C@H](C2CC2)C(F)(F)F)c1O ZINC000846170440 636152958 /nfs/dbraw/zinc/15/29/58/636152958.db2.gz LAHBEHWKKQOZJU-ISVAXAHUSA-N 0 0 289.297 3.392 20 10 CGCDRN COc1cccc([C@@H](C)N[C@H](C2CC2)C(F)(F)F)c1O ZINC000846170438 636153080 /nfs/dbraw/zinc/15/30/80/636153080.db2.gz LAHBEHWKKQOZJU-AMIZOPFISA-N 0 0 289.297 3.392 20 10 CGCDRN CCCc1[nH]ccc1C(=O)NCc1cc(Cl)ccc1O ZINC000846475253 636187944 /nfs/dbraw/zinc/18/79/44/636187944.db2.gz AUZWPESLSOXRJJ-UHFFFAOYSA-N 0 0 292.766 3.256 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474670 636187956 /nfs/dbraw/zinc/18/79/56/636187956.db2.gz ZBAAODPTEPYGIS-NXEZZACHSA-N 0 0 267.756 3.098 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H]1CCOC1 ZINC000107008601 636409182 /nfs/dbraw/zinc/40/91/82/636409182.db2.gz XQPSMSIYVORGGV-LBPRGKRZSA-N 0 0 291.372 3.101 20 10 CGCDRN Cc1cc(O)c(CN(CC(F)F)C(C)C)cc1C ZINC000130835983 636518304 /nfs/dbraw/zinc/51/83/04/636518304.db2.gz WCHQQPAQKGCVHX-UHFFFAOYSA-N 0 0 257.324 3.485 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1COCc2ccccc21 ZINC000883146845 636556314 /nfs/dbraw/zinc/55/63/14/636556314.db2.gz BABPQCBKZQYEMO-HNNXBMFYSA-N 0 0 291.297 3.032 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000883161050 636559320 /nfs/dbraw/zinc/55/93/20/636559320.db2.gz IREGCVHFNRXUTQ-LSDHHAIUSA-N 0 0 297.345 3.108 20 10 CGCDRN C[C@@H](CC(=O)Nc1ccc(N)cc1)N1CCc2ccccc21 ZINC000848392874 636566581 /nfs/dbraw/zinc/56/65/81/636566581.db2.gz JBZKIVQGUBSYLR-ZDUSSCGKSA-N 0 0 295.386 3.049 20 10 CGCDRN Cn1nccc1C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000848432952 636575899 /nfs/dbraw/zinc/57/58/99/636575899.db2.gz WXYGBAGOSIAIFR-UHFFFAOYSA-N 0 0 295.433 3.149 20 10 CGCDRN C[C@H](NC1(c2ncccn2)CCC1)c1cc(F)ccc1O ZINC000883311674 636662253 /nfs/dbraw/zinc/66/22/53/636662253.db2.gz ITWOBMLTNAWYJS-NSHDSACASA-N 0 0 287.338 3.051 20 10 CGCDRN CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)ccc1O ZINC000131482326 636666515 /nfs/dbraw/zinc/66/65/15/636666515.db2.gz MEBLWDZYHGNHGP-MFKMUULPSA-N 0 0 269.772 3.045 20 10 CGCDRN CCc1cccc(CNc2cnn(CC(F)F)c2)c1O ZINC000848891098 636678131 /nfs/dbraw/zinc/67/81/31/636678131.db2.gz NZKPWRRHPNXQFT-UHFFFAOYSA-N 0 0 281.306 3.028 20 10 CGCDRN Cc1cccc(CN2Cc3cc(F)c(F)cc3C2)c1O ZINC000848926545 636699453 /nfs/dbraw/zinc/69/94/53/636699453.db2.gz ZOVHKHNNKHQJEX-UHFFFAOYSA-N 0 0 275.298 3.495 20 10 CGCDRN CCN(C(C)=O)c1ccc(NCc2cc(C)ccc2O)cn1 ZINC000849347202 636816588 /nfs/dbraw/zinc/81/65/88/636816588.db2.gz WDFIVVWZELLKEQ-UHFFFAOYSA-N 0 0 299.374 3.081 20 10 CGCDRN CCN(CC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000108642966 636827136 /nfs/dbraw/zinc/82/71/36/636827136.db2.gz BTUWVFWVXIJKTC-UHFFFAOYSA-N 0 0 277.412 3.036 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000849744807 636861575 /nfs/dbraw/zinc/86/15/75/636861575.db2.gz GDGVDWJLKXANLQ-OGPIPQHQSA-N 0 0 288.343 3.090 20 10 CGCDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)CC(F)F ZINC000883887245 636872057 /nfs/dbraw/zinc/87/20/57/636872057.db2.gz KWTYKZIJHRUCHI-UHFFFAOYSA-N 0 0 298.333 3.099 20 10 CGCDRN CCC(CC)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000133083274 636872812 /nfs/dbraw/zinc/87/28/12/636872812.db2.gz WOAGHTVNSAXJRH-LLVKDONJSA-N 0 0 279.380 3.404 20 10 CGCDRN FC(F)(F)COCCSc1ncc(Cl)s1 ZINC000849998734 636924176 /nfs/dbraw/zinc/92/41/76/636924176.db2.gz IWGUUYAQBBEZCE-UHFFFAOYSA-N 0 0 277.720 3.468 20 10 CGCDRN O=C(CSc1ncc(Cl)s1)N1CCCCCC1 ZINC000849998918 636924300 /nfs/dbraw/zinc/92/43/00/636924300.db2.gz UJEJNLHRAUUUKK-UHFFFAOYSA-N 0 0 290.841 3.291 20 10 CGCDRN Cc1cnn(CCSc2ncc(Cl)s2)c1 ZINC000849999925 636924845 /nfs/dbraw/zinc/92/48/45/636924845.db2.gz CPDVKNWWTOTWEJ-UHFFFAOYSA-N 0 0 259.787 3.094 20 10 CGCDRN CCOC(=O)[C@@H](Sc1ncc(Cl)s1)C(C)C ZINC000849999389 636924917 /nfs/dbraw/zinc/92/49/17/636924917.db2.gz QKDYITSUQPXTLU-QMMMGPOBSA-N 0 0 279.814 3.476 20 10 CGCDRN Cc1cc(=O)[nH]c([C@H](C)Sc2ncc(Cl)s2)n1 ZINC000850000329 636924944 /nfs/dbraw/zinc/92/49/44/636924944.db2.gz QJYVFVHQQYRWPY-LURJTMIESA-N 0 0 287.797 3.454 20 10 CGCDRN COC(=O)/C(C)=C/CSc1ncc(Cl)s1 ZINC000850000004 636925088 /nfs/dbraw/zinc/92/50/88/636925088.db2.gz GJFRLAXSIRFNCY-ZZXKWVIFSA-N 0 0 263.771 3.008 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC000133721687 636971931 /nfs/dbraw/zinc/97/19/31/636971931.db2.gz SFMRASGONVPLPZ-STQMWFEESA-N 0 0 263.381 3.411 20 10 CGCDRN Cc1cn(C)nc1NCc1ccc(N2CCCCC2)cc1 ZINC000850419222 637055155 /nfs/dbraw/zinc/05/51/55/637055155.db2.gz HCCWUAYAQYDWTJ-UHFFFAOYSA-N 0 0 284.407 3.331 20 10 CGCDRN CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499106 637091121 /nfs/dbraw/zinc/09/11/21/637091121.db2.gz JNTOUDJHDXKWGV-KCXAZCMYSA-N 0 0 299.422 3.091 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(F)cc(F)c1[O-] ZINC000850534266 637110436 /nfs/dbraw/zinc/11/04/36/637110436.db2.gz IFFVZTUNLLGXNS-JFGNBEQYSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850544458 637115689 /nfs/dbraw/zinc/11/56/89/637115689.db2.gz XGDHLCMKLIUNPN-KGLIPLIRSA-N 0 0 294.414 3.302 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571870 637128775 /nfs/dbraw/zinc/12/87/75/637128775.db2.gz DGTIKSVVNLAJED-GWCFXTLKSA-N 0 0 277.343 3.067 20 10 CGCDRN C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000136402054 637334777 /nfs/dbraw/zinc/33/47/77/637334777.db2.gz OTXWCNJULPMWEW-HTQZYQBOSA-N 0 0 260.164 3.445 20 10 CGCDRN COc1ccc(N(C)C[C@H]2C[C@]23CCOC3)cc1Cl ZINC000886040423 637381173 /nfs/dbraw/zinc/38/11/73/637381173.db2.gz YWMFNIZLIDNHJC-ABAIWWIYSA-N 0 0 281.783 3.211 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C3CC3)no2)cc1OC ZINC000851734589 637484267 /nfs/dbraw/zinc/48/42/67/637484267.db2.gz IJGAUKZCQUDYTP-UHFFFAOYSA-N 0 0 288.347 3.206 20 10 CGCDRN CCN(Cc1nc(C)oc1C)c1ccc(OC)cc1 ZINC000851829045 637517093 /nfs/dbraw/zinc/51/70/93/637517093.db2.gz VNZNKCYJDGWGMT-UHFFFAOYSA-N 0 0 260.337 3.327 20 10 CGCDRN COc1cc(CN(c2ccc(OC)c(F)c2)C(C)C)on1 ZINC000851836049 637518288 /nfs/dbraw/zinc/51/82/88/637518288.db2.gz MPNAIYLVGVJGFD-UHFFFAOYSA-N 0 0 294.326 3.246 20 10 CGCDRN C[C@H]([NH2+]CC1CCSCC1)c1c([O-])cccc1F ZINC000886526610 637553830 /nfs/dbraw/zinc/55/38/30/637553830.db2.gz OPDCYIUWYPDMTH-JTQLQIEISA-N 0 0 269.385 3.325 20 10 CGCDRN CSCC[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886530248 637556277 /nfs/dbraw/zinc/55/62/77/637556277.db2.gz HASVMIZVKMUCCH-NXEZZACHSA-N 0 0 257.374 3.324 20 10 CGCDRN Cc1nccn1CCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532104 637556373 /nfs/dbraw/zinc/55/63/73/637556373.db2.gz DIXCGPVGAGUIHH-LBPRGKRZSA-N 0 0 291.370 3.167 20 10 CGCDRN C[C@@H]([NH2+]CCNc1ccccc1)c1c([O-])cccc1F ZINC000886537410 637561919 /nfs/dbraw/zinc/56/19/19/637561919.db2.gz ZXVZXCMEFFGLHX-GFCCVEGCSA-N 0 0 274.339 3.294 20 10 CGCDRN C[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1ccncc1 ZINC000886536731 637562361 /nfs/dbraw/zinc/56/23/61/637562361.db2.gz NVDZGEVPDUOVSJ-NWDGAFQWSA-N 0 0 274.339 3.381 20 10 CGCDRN Cc1cnccc1CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886556660 637579685 /nfs/dbraw/zinc/57/96/85/637579685.db2.gz HHPGGFNQVGPHIZ-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN CC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000852138217 637603374 /nfs/dbraw/zinc/60/33/74/637603374.db2.gz JUDVGACTMLOONZ-QGZVFWFLSA-N 0 0 299.418 3.051 20 10 CGCDRN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886640325 637624702 /nfs/dbraw/zinc/62/47/02/637624702.db2.gz WTTKSDSQPLJBBI-JKDFXYPNSA-N 0 0 289.350 3.304 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC000852900567 637722703 /nfs/dbraw/zinc/72/27/03/637722703.db2.gz YZSSVVXBZWYDFO-KRWDZBQOSA-N 0 0 294.398 3.218 20 10 CGCDRN CC1(C)C[C@@]1(C)NC(=O)NCCCSc1nccs1 ZINC000853859127 637943637 /nfs/dbraw/zinc/94/36/37/637943637.db2.gz SMKHLSNXULWIKU-CYBMUJFWSA-N 0 0 299.465 3.113 20 10 CGCDRN Cc1cc(Sc2nccs2)nc(-c2ccncc2)n1 ZINC000112076300 638034201 /nfs/dbraw/zinc/03/42/01/638034201.db2.gz ZQWNKPGGHBWRLE-UHFFFAOYSA-N 0 0 286.385 3.455 20 10 CGCDRN CCC1(NC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000854826980 638106494 /nfs/dbraw/zinc/10/64/94/638106494.db2.gz YTESUNDYZPINPM-UHFFFAOYSA-N 0 0 253.367 3.296 20 10 CGCDRN COc1cccc(CNC(=O)c2coc3ccccc23)c1O ZINC000113423328 638206497 /nfs/dbraw/zinc/20/64/97/638206497.db2.gz AQAJNPXZVVMZDC-UHFFFAOYSA-N 0 0 297.310 3.077 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccnc(C)c1 ZINC000856718225 638375330 /nfs/dbraw/zinc/37/53/30/638375330.db2.gz KTZTYNYKOVMUFF-UHFFFAOYSA-N 0 0 268.360 3.351 20 10 CGCDRN Cc1ccc(NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858151029 638645503 /nfs/dbraw/zinc/64/55/03/638645503.db2.gz QRNBZRGUMQVNJL-UHFFFAOYSA-N 0 0 277.318 3.346 20 10 CGCDRN C[S@@](=O)(=NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000926033138 638681356 /nfs/dbraw/zinc/68/13/56/638681356.db2.gz VDUIJSONGWYYEC-SFHVURJKSA-N 0 0 287.406 3.024 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cnn(CCF)c2)c1 ZINC000858491805 638742240 /nfs/dbraw/zinc/74/22/40/638742240.db2.gz OFILYVKAEKAFEH-NSHDSACASA-N 0 0 263.316 3.040 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1c([O-])cccc1F ZINC000927028284 638833585 /nfs/dbraw/zinc/83/35/85/638833585.db2.gz MCJLBFIEVQBEHB-GMTAPVOTSA-N 0 0 269.385 3.466 20 10 CGCDRN COC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000927096032 638841131 /nfs/dbraw/zinc/84/11/31/638841131.db2.gz IUYFBHVJMNTOIG-NWDGAFQWSA-N 0 0 269.360 3.101 20 10 CGCDRN COC[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(C)C ZINC000927096379 638841158 /nfs/dbraw/zinc/84/11/58/638841158.db2.gz WQKZYPDARCKOAG-NEPJUHHUSA-N 0 0 269.360 3.101 20 10 CGCDRN CC(C)(C)SCCCC(=O)NCc1c(O)cccc1F ZINC000928704527 638888894 /nfs/dbraw/zinc/88/88/94/638888894.db2.gz AXGAPMMSSKCFGK-UHFFFAOYSA-N 0 0 299.411 3.459 20 10 CGCDRN COc1ccc(SCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000035044983 638894777 /nfs/dbraw/zinc/89/47/77/638894777.db2.gz QTPFWDKSWMMCRI-UHFFFAOYSA-N 0 0 290.340 3.081 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000858584523 638997683 /nfs/dbraw/zinc/99/76/83/638997683.db2.gz SEDALFVYVAJPPI-OPRDCNLKSA-N 0 0 289.297 3.239 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cocc2C)cc1 ZINC000858605544 639002059 /nfs/dbraw/zinc/00/20/59/639002059.db2.gz UWLWUZUKVAZOAD-UHFFFAOYSA-N 0 0 286.375 3.364 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)OCCF)cc2)CC1 ZINC000858960453 639051004 /nfs/dbraw/zinc/05/10/04/639051004.db2.gz BQTKOUSTSVWHQY-UHFFFAOYSA-N 0 0 294.370 3.119 20 10 CGCDRN CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000859361792 639133071 /nfs/dbraw/zinc/13/30/71/639133071.db2.gz LKFKEZUZINLSOW-UHFFFAOYSA-N 0 0 256.349 3.039 20 10 CGCDRN CN(C)c1ccc(CN2CCC[C@H]2C(F)(F)F)cc1 ZINC000859625841 639177215 /nfs/dbraw/zinc/17/72/15/639177215.db2.gz CGDCAKNIEOBPTN-ZDUSSCGKSA-N 0 0 272.314 3.279 20 10 CGCDRN CCC[C@H](OCC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000860950092 639473279 /nfs/dbraw/zinc/47/32/79/639473279.db2.gz INQCKLVUHVCXSE-BBRMVZONSA-N 0 0 292.423 3.135 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCCC[C@@H](C)C2)c1O ZINC000187514609 639695245 /nfs/dbraw/zinc/69/52/45/639695245.db2.gz VHHCOGSSPBWNEO-CYBMUJFWSA-N 0 0 263.381 3.413 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)CC(C)(C)C)c1 ZINC000934942326 639722159 /nfs/dbraw/zinc/72/21/59/639722159.db2.gz MNIPTTAIGVQHHC-UHFFFAOYSA-N 0 0 293.407 3.479 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCC1 ZINC000047053644 640003193 /nfs/dbraw/zinc/00/31/93/640003193.db2.gz BKJMICQKRUBASQ-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN COc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000047321808 640010431 /nfs/dbraw/zinc/01/04/31/640010431.db2.gz XXJYPWMLMVNZKU-UHFFFAOYSA-N 0 0 286.331 3.065 20 10 CGCDRN CC(C)C[C@H](C)N(C)C(=O)CSc1nccs1 ZINC000077591441 640248942 /nfs/dbraw/zinc/24/89/42/640248942.db2.gz GZPYZTVZIZCIQD-JTQLQIEISA-N 0 0 272.439 3.128 20 10 CGCDRN CSC[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000191127461 640292096 /nfs/dbraw/zinc/29/20/96/640292096.db2.gz OCCAFLBAKSCPEA-SSDOTTSWSA-N 0 0 263.765 3.026 20 10 CGCDRN CC[C@@H](C)CC(=O)NCCCSc1nccs1 ZINC000191669328 640327041 /nfs/dbraw/zinc/32/70/41/640327041.db2.gz PAJSBAHRXUVQIE-SNVBAGLBSA-N 0 0 272.439 3.178 20 10 CGCDRN Cc1cc(O)c(CN2CCO[C@H](C(F)F)C2)cc1C(C)C ZINC000193437549 640458041 /nfs/dbraw/zinc/45/80/41/640458041.db2.gz ODWYFOJEJRWJAE-HNNXBMFYSA-N 0 0 299.361 3.290 20 10 CGCDRN Cc1nc(Cl)ccc1NCc1cc2c(cc1O)OCO2 ZINC000193480534 640463710 /nfs/dbraw/zinc/46/37/10/640463710.db2.gz YMFLSYXEQUKHBP-UHFFFAOYSA-N 0 0 292.722 3.090 20 10 CGCDRN CCONC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000195678989 640592158 /nfs/dbraw/zinc/59/21/58/640592158.db2.gz LZRRHSSGBFBHRP-UHFFFAOYSA-N 0 0 292.766 3.429 20 10 CGCDRN COc1ccc(CNCc2nc3c(s2)CCC3)cc1C ZINC000093066767 640753848 /nfs/dbraw/zinc/75/38/48/640753848.db2.gz IVRLOUMAJICBOL-UHFFFAOYSA-N 0 0 288.416 3.239 20 10 CGCDRN Cc1nc(CN[C@@H](C)c2cc(F)ccc2O)cs1 ZINC000094617837 640799919 /nfs/dbraw/zinc/79/99/19/640799919.db2.gz HMJXIFXIEXUQHN-QMMMGPOBSA-N 0 0 266.341 3.147 20 10 CGCDRN O=C1/C(=C\c2ccccc2)SC(=S)N1C1CC1 ZINC000096569052 640832491 /nfs/dbraw/zinc/83/24/91/640832491.db2.gz IDTRNCCLTYAKTE-DHZHZOJOSA-N 0 0 261.371 3.050 20 10 CGCDRN O=C(/C=C/C=C(Cl)Cl)NCc1c(O)cccc1F ZINC001156170141 805661945 /nfs/dbraw/zinc/66/19/45/805661945.db2.gz HRWLYJGYJCGCAP-QHHAFSJGSA-N 0 0 290.121 3.023 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001157041717 805768520 /nfs/dbraw/zinc/76/85/20/805768520.db2.gz MFFBFGXKHREFCB-HALDLXJZSA-N 0 0 281.355 3.208 20 10 CGCDRN COc1c(Cl)cccc1CNC(=O)C1=CC(=O)CS1 ZINC001157545389 805831528 /nfs/dbraw/zinc/83/15/28/805831528.db2.gz UTPNDHDCPVZJAT-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CC(C)Cn1c2ccccc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248477 805871297 /nfs/dbraw/zinc/87/12/97/805871297.db2.gz SUPWMBHVFLJZBO-UHFFFAOYSA-N 0 0 298.342 3.476 20 10 CGCDRN Oc1cc(O)c(-c2nc3c(cc(F)cc3Cl)[nH]2)cc1O ZINC001251355575 805886379 /nfs/dbraw/zinc/88/63/79/805886379.db2.gz URDMUTLPSNHNKN-UHFFFAOYSA-N 0 0 294.669 3.139 20 10 CGCDRN CC[C@@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001251793116 805934433 /nfs/dbraw/zinc/93/44/33/805934433.db2.gz BHNZCGJJMZHHAB-LLVKDONJSA-N 0 0 267.328 3.081 20 10 CGCDRN C[C@H](O)CNc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001251966929 805958239 /nfs/dbraw/zinc/95/82/39/805958239.db2.gz UAZWCDAJWSRXCH-NSHDSACASA-N 0 0 289.762 3.364 20 10 CGCDRN COc1ccc2ccc(NCc3ccc(O)c(O)c3)nc2c1 ZINC001158996179 806028516 /nfs/dbraw/zinc/02/85/16/806028516.db2.gz YTEFKMLFALITPZ-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN COc1nccc(Nc2ccc(N)cc2)c1Br ZINC001159167914 806054535 /nfs/dbraw/zinc/05/45/35/806054535.db2.gz ZBBYAMSWNGYSJS-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN CC(C)(C)c1cc2ncc(Nc3ccc(N)cc3)cn2n1 ZINC001159365408 806087272 /nfs/dbraw/zinc/08/72/72/806087272.db2.gz GFNKBGWYCBLJPB-UHFFFAOYSA-N 0 0 281.363 3.353 20 10 CGCDRN CCC[C@H](O)CNc1ccccc1C(=O)c1ccccc1 ZINC001252787313 806114240 /nfs/dbraw/zinc/11/42/40/806114240.db2.gz MVFLFQOXRVRYRK-HNNXBMFYSA-N 0 0 283.371 3.491 20 10 CGCDRN Cc1cc(C)c(CNc2cncc(Cl)n2)c(O)c1 ZINC001160808041 806304568 /nfs/dbraw/zinc/30/45/68/806304568.db2.gz GYNHPSUUWFPARX-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN COc1nc(Cl)cc(NCc2c(C)cc(C)cc2O)n1 ZINC001160808644 806306385 /nfs/dbraw/zinc/30/63/85/806306385.db2.gz WLLQWODATVMAOL-UHFFFAOYSA-N 0 0 293.754 3.073 20 10 CGCDRN CNc1ccccc1NCc1ccc(Br)nc1 ZINC001162016478 806499972 /nfs/dbraw/zinc/49/99/72/806499972.db2.gz WFJMHRJKJVSNLF-UHFFFAOYSA-N 0 0 292.180 3.498 20 10 CGCDRN COc1cc(C)c2ncnc(NCc3ccc(N)cc3)c2c1 ZINC001162789856 806666804 /nfs/dbraw/zinc/66/68/04/806666804.db2.gz MWUKPMZZXVLWLG-UHFFFAOYSA-N 0 0 294.358 3.141 20 10 CGCDRN O=C1CSc2ccc(NCc3ccccc3O)cc2N1 ZINC000037073032 798857819 /nfs/dbraw/zinc/85/78/19/798857819.db2.gz PXVHTAAAIPRSOQ-UHFFFAOYSA-N 0 0 286.356 3.049 20 10 CGCDRN COc1ccc(CNc2ccnc(Cl)c2)c(O)c1 ZINC000149128077 799051954 /nfs/dbraw/zinc/05/19/54/799051954.db2.gz JULYSTYUHJKSCF-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000166986825 799085820 /nfs/dbraw/zinc/08/58/20/799085820.db2.gz IBYFRGZFHFUFOC-WOPDTQHZSA-N 0 0 261.369 3.167 20 10 CGCDRN CSC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000380041283 799357216 /nfs/dbraw/zinc/35/72/16/799357216.db2.gz NHFCCGIMSLODFM-UHFFFAOYSA-N 0 0 297.395 3.061 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CC2CCC1CC2 ZINC000381778324 799387711 /nfs/dbraw/zinc/38/77/11/799387711.db2.gz ZDEWXKVIVADIFR-ZHOLYQSMSA-N 0 0 286.419 3.142 20 10 CGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC2CCC1CC2 ZINC000383910801 799410109 /nfs/dbraw/zinc/41/01/09/799410109.db2.gz PDUYHUWIGYSFJA-UHFFFAOYSA-N 0 0 251.757 3.420 20 10 CGCDRN CC/C=C\C[NH2+]Cc1cccc(Br)c1[O-] ZINC000384981624 799420177 /nfs/dbraw/zinc/42/01/77/799420177.db2.gz JNLNJPLSXCYNJF-ARJAWSKDSA-N 0 0 270.170 3.211 20 10 CGCDRN CC[C@H](NCc1nn(C)cc1Cl)c1ccccc1O ZINC000393330578 799485836 /nfs/dbraw/zinc/48/58/36/799485836.db2.gz RBYPMGGUMRJRNQ-LBPRGKRZSA-N 0 0 279.771 3.020 20 10 CGCDRN CC[C@@H](C)[C@@H](C[NH2+][C@@H](CC)c1ccccc1O)OC ZINC000394461656 799497196 /nfs/dbraw/zinc/49/71/96/799497196.db2.gz VRYMYPYQLULXOZ-IVMMDQJWSA-N 0 0 265.397 3.494 20 10 CGCDRN COc1ccc(O)c([C@H](C)N[C@H]2CCCC2(F)F)c1 ZINC000397990418 799524494 /nfs/dbraw/zinc/52/44/94/799524494.db2.gz IGWQQZJSSWBCSK-ZANVPECISA-N 0 0 271.307 3.239 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)ccc2O)[C@H](C)CO1 ZINC000403863333 799572518 /nfs/dbraw/zinc/57/25/18/799572518.db2.gz ZXHZBJGGLWCBMZ-ZWNOBZJWSA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588407090 799688792 /nfs/dbraw/zinc/68/87/92/799688792.db2.gz VZJMCKKJOHIGFF-JKOXKOMZSA-N 0 0 289.375 3.148 20 10 CGCDRN CCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403643 799688927 /nfs/dbraw/zinc/68/89/27/799688927.db2.gz SPBCETKKVHBVSE-POHAHGRESA-N 0 0 283.327 3.312 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588405470 799689027 /nfs/dbraw/zinc/68/90/27/799689027.db2.gz UNVRLLGDDJLNPX-AGEOTTOMSA-N 0 0 297.354 3.297 20 10 CGCDRN CC[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588407298 799689440 /nfs/dbraw/zinc/68/94/40/799689440.db2.gz UQFNBHVLZNHADX-ZANYVSNCSA-N 0 0 289.375 3.196 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CCC(F)CC2)c1O ZINC000689884919 799770224 /nfs/dbraw/zinc/77/02/24/799770224.db2.gz KAGGHYXBVXDTCX-UHFFFAOYSA-N 0 0 285.746 3.182 20 10 CGCDRN Nc1ccc(NC(=O)NCC2CCC(F)(F)CC2)cc1 ZINC000693350440 799811110 /nfs/dbraw/zinc/81/11/10/799811110.db2.gz UQLNRRPIFUMWAT-UHFFFAOYSA-N 0 0 283.322 3.216 20 10 CGCDRN C[C@H](NCc1cc(Cl)ccc1O)c1cscn1 ZINC000697917462 799851670 /nfs/dbraw/zinc/85/16/70/799851670.db2.gz NRMKJRGBJWMSHK-QMMMGPOBSA-N 0 0 268.769 3.353 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2Cc3ccccc32)ccc(F)c1F ZINC000703234255 799919999 /nfs/dbraw/zinc/91/99/99/799919999.db2.gz PLMOMDKQXVEBLK-LBPRGKRZSA-N 0 0 275.298 3.100 20 10 CGCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(F)F ZINC000703213109 799920595 /nfs/dbraw/zinc/92/05/95/799920595.db2.gz GRMCHBUDMFHLOR-SSDOTTSWSA-N 0 0 265.250 3.051 20 10 CGCDRN CC1(C2([NH2+]Cc3cc(F)cc(F)c3[O-])CC2)CC1 ZINC000708481670 799990431 /nfs/dbraw/zinc/99/04/31/799990431.db2.gz SPNPSEMVBWDIQG-UHFFFAOYSA-N 0 0 253.292 3.093 20 10 CGCDRN CC[C@@H](CC(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000711142931 800048311 /nfs/dbraw/zinc/04/83/11/800048311.db2.gz PTVOKMRMFWTOBT-AWEZNQCLSA-N 0 0 276.424 3.390 20 10 CGCDRN C[C@H]1c2sccc2CCN1C(=O)Nc1ccc(N)cc1 ZINC000711825858 800074185 /nfs/dbraw/zinc/07/41/85/800074185.db2.gz LEQYOGKJTZZMIO-JTQLQIEISA-N 0 0 287.388 3.482 20 10 CGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CC=CC1 ZINC000715719005 800144667 /nfs/dbraw/zinc/14/46/67/800144667.db2.gz PDLRVDITVFJBDN-UHFFFAOYSA-N 0 0 286.144 3.102 20 10 CGCDRN CC(C)=CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715719862 800145212 /nfs/dbraw/zinc/14/52/12/800145212.db2.gz VITREAGPBLYUBY-UHFFFAOYSA-N 0 0 288.160 3.350 20 10 CGCDRN C[C@H](NC(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000773012454 800385033 /nfs/dbraw/zinc/38/50/33/800385033.db2.gz XVJDXFNYVSVRNQ-NSHDSACASA-N 0 0 274.389 3.305 20 10 CGCDRN Cc1ncccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886643079 800545751 /nfs/dbraw/zinc/54/57/51/800545751.db2.gz KQQLZHFYSHCSNY-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001118516259 802578721 /nfs/dbraw/zinc/57/87/21/802578721.db2.gz BDXPVBDZYYOXDC-MNOVXSKESA-N 0 0 265.378 3.106 20 10 CGCDRN CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC001119236983 802636622 /nfs/dbraw/zinc/63/66/22/802636622.db2.gz KYFCFVVGONNZCB-MNOVXSKESA-N 0 0 287.375 3.386 20 10 CGCDRN CC(C)c1nc(CNCc2c(O)cccc2F)cs1 ZINC001120065315 802732313 /nfs/dbraw/zinc/73/23/13/802732313.db2.gz PKOHGMXICDOBPL-UHFFFAOYSA-N 0 0 280.368 3.401 20 10 CGCDRN C/C=C/C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120584230 802750512 /nfs/dbraw/zinc/75/05/12/802750512.db2.gz AIAUBPFJQYMVAC-XYBNCVKDSA-N 0 0 287.407 3.157 20 10 CGCDRN Cc1ccccc1C[C@@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001120574929 802750597 /nfs/dbraw/zinc/75/05/97/802750597.db2.gz STLBKJJGDUYPGV-CQSZACIVSA-N 0 0 297.402 3.008 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccccc1N(C)C ZINC001127382203 803138909 /nfs/dbraw/zinc/13/89/09/803138909.db2.gz POMJRBREWSOVMP-VAWYXSNFSA-N 0 0 295.386 3.132 20 10 CGCDRN Cc1cc2c(cccc2-c2cnc3nccnc3c2)n1C ZINC001244042172 803157220 /nfs/dbraw/zinc/15/72/20/803157220.db2.gz CAIJWHMOAMCGKE-UHFFFAOYSA-N 0 0 274.327 3.492 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cc(F)c(F)c(F)c1N ZINC001244156633 803215655 /nfs/dbraw/zinc/21/56/55/803215655.db2.gz XVYBAYWVPSXCLK-UHFFFAOYSA-N 0 0 277.249 3.240 20 10 CGCDRN Cc1cc(C)c(N)c(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001244616538 803466110 /nfs/dbraw/zinc/46/61/10/803466110.db2.gz NFONVGVBJNQBLS-UHFFFAOYSA-N 0 0 268.360 3.124 20 10 CGCDRN CCOc1ncc(-c2ccc3ccc(=O)n(C)c3c2)cc1C ZINC001244683704 803493522 /nfs/dbraw/zinc/49/35/22/803493522.db2.gz MKCKSHOECVJSQF-UHFFFAOYSA-N 0 0 294.354 3.308 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cnc(Br)s1 ZINC001244900496 803568880 /nfs/dbraw/zinc/56/88/80/803568880.db2.gz ASTJOFXGIDKREA-UHFFFAOYSA-N 0 0 294.177 3.459 20 10 CGCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136600807 803647389 /nfs/dbraw/zinc/64/73/89/803647389.db2.gz FODQLQPCKOOKAB-KBPBESRZSA-N 0 0 291.391 3.115 20 10 CGCDRN CC(C)Cn1ccc(-c2cccc(Cl)c2N)cc1=O ZINC001245180862 803659112 /nfs/dbraw/zinc/65/91/12/803659112.db2.gz JSBFBHXZNMGYMQ-UHFFFAOYSA-N 0 0 276.767 3.407 20 10 CGCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001137435957 803733872 /nfs/dbraw/zinc/73/38/72/803733872.db2.gz HYOCTCKWJAEDHB-GXTWGEPZSA-N 0 0 291.391 3.068 20 10 CGCDRN Cn1ccc2c1nccc2-c1c[nH]c2ncc(F)cc12 ZINC001245433308 803737616 /nfs/dbraw/zinc/73/76/16/803737616.db2.gz MEEFNUTZBYWOED-UHFFFAOYSA-N 0 0 266.279 3.256 20 10 CGCDRN C[C@@]1(CF)CC(F)(F)CN1Cc1c(O)cccc1F ZINC001137832843 803778705 /nfs/dbraw/zinc/77/87/05/803778705.db2.gz JWUMFWUNOZMMEU-LBPRGKRZSA-N 0 0 277.261 3.101 20 10 CGCDRN Cc1ccn2cc(CN(C)Cc3c(O)cccc3F)nc2c1 ZINC001137841356 803780285 /nfs/dbraw/zinc/78/02/85/803780285.db2.gz BJXJCAJNHYWCPJ-UHFFFAOYSA-N 0 0 299.349 3.119 20 10 CGCDRN Cc1cc(CN2CCC23COC3)c(C)n1-c1ccccc1 ZINC001137857600 803786488 /nfs/dbraw/zinc/78/64/88/803786488.db2.gz JNJAPSIHFOXUEY-UHFFFAOYSA-N 0 0 282.387 3.069 20 10 CGCDRN Cc1cc(-c2cc(N(C)c3ccccc3)ncn2)cnc1N ZINC001245537234 803794731 /nfs/dbraw/zinc/79/47/31/803794731.db2.gz GMYARPFSUNDWLL-UHFFFAOYSA-N 0 0 291.358 3.197 20 10 CGCDRN C[C@H]1CC(=O)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215533 803875096 /nfs/dbraw/zinc/87/50/96/803875096.db2.gz IXDAQRGEHWLEAK-HNNXBMFYSA-N 0 0 286.419 3.230 20 10 CGCDRN COc1ccc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139680774 804250119 /nfs/dbraw/zinc/25/01/19/804250119.db2.gz BOVMCCDXQBMKLT-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN O=C1CCN(Cc2c(F)ccc(F)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC001139685877 804251307 /nfs/dbraw/zinc/25/13/07/804251307.db2.gz ZSNANDXDZXSPFU-QMTHXVAHSA-N 0 0 295.329 3.004 20 10 CGCDRN CN(Cc1cccc(O)c1)Cc1c([O-])c(F)ccc1F ZINC001139685616 804252310 /nfs/dbraw/zinc/25/23/10/804252310.db2.gz QCVABVGVJUDEAF-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN CC1(C)CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684119 804252758 /nfs/dbraw/zinc/25/27/58/804252758.db2.gz QVXCYQJVGWRGLQ-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN C[C@@]1(F)CCC[N@H+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685724 804253228 /nfs/dbraw/zinc/25/32/28/804253228.db2.gz VAIXXLHQDKCADC-CQSZACIVSA-N 0 0 273.298 3.385 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC2(CCC2)C1 ZINC001139685222 804253301 /nfs/dbraw/zinc/25/33/01/804253301.db2.gz BHMAVQLVOJMREZ-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC2(CCC2)C1 ZINC001139686892 804255257 /nfs/dbraw/zinc/25/52/57/804255257.db2.gz IBEINLBPGZDGRY-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCCC12CC2 ZINC001139686181 804255290 /nfs/dbraw/zinc/25/52/90/804255290.db2.gz QFEXDZSNMKPPPV-UHFFFAOYSA-N 0 0 253.292 3.189 20 10 CGCDRN Cc1snnc1-c1nc(-c2cccc3occc32)no1 ZINC001212405359 815020776 /nfs/dbraw/zinc/02/07/76/815020776.db2.gz QAQAAYAWBBVBRC-UHFFFAOYSA-N 0 0 284.300 3.310 20 10 CGCDRN Nc1ncccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001212409955 815021643 /nfs/dbraw/zinc/02/16/43/815021643.db2.gz DOWFWENYYMNMOY-UHFFFAOYSA-N 0 0 290.326 3.033 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc([C@@H]4CCCO4)o3)cc2)c1 ZINC001256935347 807013604 /nfs/dbraw/zinc/01/36/04/807013604.db2.gz IWWQNAKYPMDLST-AWEZNQCLSA-N 0 0 281.315 3.379 20 10 CGCDRN CC(C)[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)CCO1 ZINC001140926686 804551459 /nfs/dbraw/zinc/55/14/59/804551459.db2.gz QEBHVSGOVSVCBV-MRXNPFEDSA-N 0 0 296.842 3.263 20 10 CGCDRN COc1cc(Cl)ncc1CN(C)Cc1ccccc1O ZINC001141344697 804634599 /nfs/dbraw/zinc/63/45/99/804634599.db2.gz JXNSSIUZFDEDGA-UHFFFAOYSA-N 0 0 292.766 3.081 20 10 CGCDRN CCC/C=C/C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001142418855 804722323 /nfs/dbraw/zinc/72/23/23/804722323.db2.gz MBTUZDCXPFIIEP-HVHJFMEUSA-N 0 0 288.435 3.465 20 10 CGCDRN C[C@H]1CCN(Cc2cc(F)c(F)cc2O)CC1(F)F ZINC001142508650 804728173 /nfs/dbraw/zinc/72/81/73/804728173.db2.gz GQFZGINVFXTZDV-QMMMGPOBSA-N 0 0 277.261 3.148 20 10 CGCDRN Cc1cc(C)c(CNC(=O)[C@@]2(C)CC=CCC2)c(O)c1 ZINC001142551969 804737205 /nfs/dbraw/zinc/73/72/05/804737205.db2.gz LHDXMVHNKXUTCS-KRWDZBQOSA-N 0 0 273.376 3.372 20 10 CGCDRN CC(C)(C)c1cccc(CN2CCC(=O)[C@H](F)CC2)c1O ZINC001143104723 804801676 /nfs/dbraw/zinc/80/16/76/804801676.db2.gz YKQAVXUZYFZNJQ-CQSZACIVSA-N 0 0 293.382 3.193 20 10 CGCDRN CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001143104049 804802387 /nfs/dbraw/zinc/80/23/87/804802387.db2.gz AZUUGHTWLKLUCA-KCQAQPDRSA-N 0 0 277.383 3.480 20 10 CGCDRN CCc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)cc1 ZINC001247958661 804856187 /nfs/dbraw/zinc/85/61/87/804856187.db2.gz AOZDJFZWUSIBHU-UHFFFAOYSA-N 0 0 296.326 3.301 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2CC3(COC3)C2)cc1Cl ZINC001248880759 805029353 /nfs/dbraw/zinc/02/93/53/805029353.db2.gz MLAUATPRIUSLCO-UHFFFAOYSA-N 0 0 295.810 3.175 20 10 CGCDRN O=C(Nc1cc(F)c(F)cc1F)C1=CC(=O)CS1 ZINC001144870343 805059082 /nfs/dbraw/zinc/05/90/82/805059082.db2.gz NFIQCHRQBMMJLH-UHFFFAOYSA-N 0 0 273.235 3.123 20 10 CGCDRN Cc1cccc(-c2noc(CCc3ccc(O)c(O)c3)n2)c1 ZINC001248984118 805066223 /nfs/dbraw/zinc/06/62/23/805066223.db2.gz NHDMZDMWWJWQPH-UHFFFAOYSA-N 0 0 296.326 3.241 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](F)c2ccccc2)c1 ZINC001147957198 805156734 /nfs/dbraw/zinc/15/67/34/805156734.db2.gz OEEOYPBNRVCLPI-OAHLLOKOSA-N 0 0 273.307 3.028 20 10 CGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)c2ccc(F)cc2O1 ZINC001148205845 805168243 /nfs/dbraw/zinc/16/82/43/805168243.db2.gz NCFLHZHDOVZPKB-MRVPVSSYSA-N 0 0 293.319 3.021 20 10 CGCDRN Cc1c[nH]c2cccc(C(=O)NCc3ccccc3O)c12 ZINC001154084168 805432087 /nfs/dbraw/zinc/43/20/87/805432087.db2.gz HCEBRLRGWLMOEJ-UHFFFAOYSA-N 0 0 280.327 3.112 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncnc2c1CCCC2 ZINC001154889870 805505571 /nfs/dbraw/zinc/50/55/71/805505571.db2.gz KACPJLGVCBGLER-UHFFFAOYSA-N 0 0 283.375 3.088 20 10 CGCDRN CCN(Cc1ccccc1O)c1nncc2ccccc21 ZINC001154889637 805506348 /nfs/dbraw/zinc/50/63/48/805506348.db2.gz BGBHKSVLCAWPJA-UHFFFAOYSA-N 0 0 279.343 3.362 20 10 CGCDRN COc1ccc2c(c1)c1c(n2C)CC[N@H+](C2CCCC2)C1 ZINC001257353646 807118431 /nfs/dbraw/zinc/11/84/31/807118431.db2.gz MIETWTCQUGDXMZ-UHFFFAOYSA-N 0 0 284.403 3.488 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NCc2cccnn2)cc1 ZINC001167324335 807181933 /nfs/dbraw/zinc/18/19/33/807181933.db2.gz FADAMQXVIYNEEA-UHFFFAOYSA-N 0 0 278.359 3.496 20 10 CGCDRN CCN(Cc1csnc1OC)c1ccc(OC)cc1 ZINC001167834025 807259407 /nfs/dbraw/zinc/25/94/07/807259407.db2.gz BWSYSHDWGMYANE-UHFFFAOYSA-N 0 0 278.377 3.187 20 10 CGCDRN COc1ccc(N(C)CCSc2ccncc2)cc1F ZINC001167880697 807267389 /nfs/dbraw/zinc/26/73/89/807267389.db2.gz DIWVSTJTZQZFMN-UHFFFAOYSA-N 0 0 292.379 3.458 20 10 CGCDRN Oc1cc(O)c(CCNc2cc(Cl)ccc2F)cc1O ZINC001168008448 807298687 /nfs/dbraw/zinc/29/86/87/807298687.db2.gz ADNNOSHVEUYDOA-UHFFFAOYSA-N 0 0 297.713 3.251 20 10 CGCDRN CNc1ccccc1NCc1cn2cccc(C)c2n1 ZINC001169022665 807554561 /nfs/dbraw/zinc/55/45/61/807554561.db2.gz UCFXYYRRMZJYBM-UHFFFAOYSA-N 0 0 266.348 3.297 20 10 CGCDRN C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001261603645 807769766 /nfs/dbraw/zinc/76/97/66/807769766.db2.gz UOXAVPCDYKNVFC-BVDKZHGWSA-N 0 0 298.289 3.139 20 10 CGCDRN C[C@@H](Nc1nccc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC001262364451 807857115 /nfs/dbraw/zinc/85/71/15/807857115.db2.gz XHNQXLVRXHYTII-LLVKDONJSA-N 0 0 281.363 3.197 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC001262603569 807873616 /nfs/dbraw/zinc/87/36/16/807873616.db2.gz NANQMCUXIPHTHF-UHFFFAOYSA-N 0 0 287.407 3.135 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1ncncc1F ZINC001171407713 808049338 /nfs/dbraw/zinc/04/93/38/808049338.db2.gz UYSRSKWIUGDMLN-UHFFFAOYSA-N 0 0 269.279 3.087 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001171745906 808130159 /nfs/dbraw/zinc/13/01/59/808130159.db2.gz HONAHSZBWFFNSQ-OLZOCXBDSA-N 0 0 289.297 3.241 20 10 CGCDRN Cn1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)cn1 ZINC001174331581 808955711 /nfs/dbraw/zinc/95/57/11/808955711.db2.gz LRYZRPHCRWBNPH-UHFFFAOYSA-N 0 0 279.347 3.054 20 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CGCDRN c1nc2c(s1)CN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204321095 812612644 /nfs/dbraw/zinc/61/26/44/812612644.db2.gz GHCWNNIVFIXVIP-UHFFFAOYSA-N 0 0 299.443 3.302 20 10 CGCDRN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(Cl)cc1O ZINC001205177862 812899584 /nfs/dbraw/zinc/89/95/84/812899584.db2.gz KKKPDZBSKNWGEE-GXFFZTMASA-N 0 0 269.772 3.045 20 10 CGCDRN CC[C@H]1CO[C@H](C)CN1Cc1ccc(Cl)cc1O ZINC001205177863 812899736 /nfs/dbraw/zinc/89/97/36/812899736.db2.gz KKKPDZBSKNWGEE-MFKMUULPSA-N 0 0 269.772 3.045 20 10 CGCDRN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(Cl)cc1O ZINC001205177861 812899782 /nfs/dbraw/zinc/89/97/82/812899782.db2.gz KKKPDZBSKNWGEE-GWCFXTLKSA-N 0 0 269.772 3.045 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001206537687 813343157 /nfs/dbraw/zinc/34/31/57/813343157.db2.gz MEBGWZFJSVQLLG-IRUJWGPZSA-N 0 0 251.757 3.324 20 10 CGCDRN Cc1cnc(CN(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001207077661 813480247 /nfs/dbraw/zinc/48/02/47/813480247.db2.gz ZORAFHHCRRXKCD-UHFFFAOYSA-N 0 0 296.418 3.017 20 10 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CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001308713495 933163345 /nfs/dbraw/zinc/16/33/45/933163345.db2.gz KASXUXRDEVGHIK-CYBMUJFWSA-N 0 0 269.772 3.047 20 10 CGCDRN CC[C@H](CSC)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308747988 933170053 /nfs/dbraw/zinc/17/00/53/933170053.db2.gz QEMXDLRVZQNCHK-SNVBAGLBSA-N 0 0 275.364 3.244 20 10 CGCDRN Cc1cc(CNC(=O)N2CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001471038232 937760841 /nfs/dbraw/zinc/76/08/41/937760841.db2.gz YGOXXVGMCYPZOW-CYBMUJFWSA-N 0 0 297.402 3.398 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CCCCS1 ZINC001323419213 934397428 /nfs/dbraw/zinc/39/74/28/934397428.db2.gz NWSIVTAOVIXRJV-VIFPVBQESA-N 0 0 297.767 3.100 20 10 CGCDRN C[C@H]1Cc2ccccc2CN1C(=O)C1=CC(=O)CS1 ZINC001328981742 935177548 /nfs/dbraw/zinc/17/75/48/935177548.db2.gz OBFLPBJVMWJVIF-JTQLQIEISA-N 0 0 273.357 3.041 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001333587919 935550099 /nfs/dbraw/zinc/55/00/99/935550099.db2.gz LVOPRPCVCLTFNC-OUAUKWLOSA-N 0 0 289.272 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CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001595891614 982927428 /nfs/dbraw/zinc/92/74/28/982927428.db2.gz WJUQXVCCMIGEER-SWLSCSKDSA-N 0 0 279.380 3.104 20 10 CGCDRN CCc1c(Cl)nc(C)nc1N(C)Cc1ccccc1O ZINC000302680025 529492445 /nfs/dbraw/zinc/49/24/45/529492445.db2.gz WGLVZVOQKYTMKO-UHFFFAOYSA-N 0 0 291.782 3.343 20 10 CGCDRN Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)s1 ZINC000045678686 345029010 /nfs/dbraw/zinc/02/90/10/345029010.db2.gz YXJMACYQAJITBP-UHFFFAOYSA-N 0 0 290.388 3.104 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000053915152 345126455 /nfs/dbraw/zinc/12/64/55/345126455.db2.gz DPQWQTPDEQXCIA-HOTGVXAUSA-N 0 0 299.345 3.293 20 10 CGCDRN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1F ZINC000058545646 345196938 /nfs/dbraw/zinc/19/69/38/345196938.db2.gz OAOQCBOMXMEHEA-UHFFFAOYSA-N 0 0 289.310 3.412 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccncc1 ZINC000066096293 345283678 /nfs/dbraw/zinc/28/36/78/345283678.db2.gz HJIZSHSUEPZNSA-UHFFFAOYSA-N 0 0 298.386 3.159 20 10 CGCDRN C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000273485582 295867043 /nfs/dbraw/zinc/86/70/43/295867043.db2.gz NGLRVFXPGJHQKB-STQMWFEESA-N 0 0 295.398 3.371 20 10 CGCDRN Oc1cccc(Cl)c1CN(CC(F)F)C1CC1 ZINC000123207076 370910093 /nfs/dbraw/zinc/91/00/93/370910093.db2.gz YUNHDVZYPXFUCF-UHFFFAOYSA-N 0 0 261.699 3.275 20 10 CGCDRN COc1cccc(CNc2ccc(Cl)cn2)c1O ZINC000083480192 370006657 /nfs/dbraw/zinc/00/66/57/370006657.db2.gz UVLRIPSCKDISEX-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1 ZINC000104245979 370341642 /nfs/dbraw/zinc/34/16/42/370341642.db2.gz ALKCTXICXRWUOA-CMDGGOBGSA-N 0 0 270.307 3.287 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1[O-] ZINC000134789635 371366189 /nfs/dbraw/zinc/36/61/89/371366189.db2.gz PYKIKZBFMMPSMX-SUZRMVIJSA-N 0 0 291.366 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287119415 371606968 /nfs/dbraw/zinc/60/69/68/371606968.db2.gz RCAGDMIJUHLBGQ-WDEREUQCSA-N 0 0 296.392 3.094 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000159063484 372103932 /nfs/dbraw/zinc/10/39/32/372103932.db2.gz RIXVUVVKVBQYIO-AWEZNQCLSA-N 0 0 299.370 3.298 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCC1(F)F ZINC000294728956 372669568 /nfs/dbraw/zinc/66/95/68/372669568.db2.gz BMDDIAKREAICGL-LBPRGKRZSA-N 0 0 283.318 3.176 20 10 CGCDRN CC1(C)C[C@H](O)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295143976 372695779 /nfs/dbraw/zinc/69/57/79/372695779.db2.gz BZUWKLUEDQFSMO-GFCCVEGCSA-N 0 0 283.799 3.029 20 10 CGCDRN COC(=O)c1cnc(SCc2cnoc2C2CC2)s1 ZINC000295356923 372748429 /nfs/dbraw/zinc/74/84/29/372748429.db2.gz REYGUYZJTJLCNN-UHFFFAOYSA-N 0 0 296.373 3.087 20 10 CGCDRN COc1ccc([C@@H](C)CC(=O)NCc2ccc(N)cc2)cc1 ZINC000297110477 373256537 /nfs/dbraw/zinc/25/65/37/373256537.db2.gz FTKJWCWVJVGCQW-ZDUSSCGKSA-N 0 0 298.386 3.087 20 10 CGCDRN Cc1cc(C(=O)NC2CCCC2)c(C)n1-c1ccccn1 ZINC000298290043 373294934 /nfs/dbraw/zinc/29/49/34/373294934.db2.gz DLZBYOMAWHXXEU-UHFFFAOYSA-N 0 0 283.375 3.162 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@@H](C)[C@H]3CCCC[C@@H]32)c(O)c1O ZINC000180528768 374018941 /nfs/dbraw/zinc/01/89/41/374018941.db2.gz WYJRNCDRQZXPKF-BZPMIXESSA-N 0 0 289.375 3.057 20 10 CGCDRN CN(Cc1ccccc1O)c1ncnc2c(F)cccc21 ZINC000302824292 373975913 /nfs/dbraw/zinc/97/59/13/373975913.db2.gz GEGJAVUVBYHWPR-UHFFFAOYSA-N 0 0 283.306 3.111 20 10 CGCDRN CN(CC1CCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180907502 374057046 /nfs/dbraw/zinc/05/70/46/374057046.db2.gz UISCZDUWCXOEAL-CSKARUKUSA-N 0 0 289.375 3.150 20 10 CGCDRN CC1(C)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181123898 374082636 /nfs/dbraw/zinc/08/26/36/374082636.db2.gz REVLMVHXDMFITG-FNORWQNLSA-N 0 0 289.375 3.150 20 10 CGCDRN C[C@@H]1CC(C(=O)N(C)Cc2ccccc2O)C[C@@H](C)C1 ZINC000183291614 374398002 /nfs/dbraw/zinc/39/80/02/374398002.db2.gz ZKDUBQDEXZSWPA-STQMWFEESA-N 0 0 275.392 3.423 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+](CCO)C1CCCCC1 ZINC000183375822 374408444 /nfs/dbraw/zinc/40/84/44/374408444.db2.gz NQANGRFGYCMHFJ-UHFFFAOYSA-N 0 0 283.799 3.173 20 10 CGCDRN CC(C)C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000170964727 261452354 /nfs/dbraw/zinc/45/23/54/261452354.db2.gz RQPBPQFJLCHQJK-UHFFFAOYSA-N 0 0 274.389 3.404 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C(C)C ZINC000471486406 375003297 /nfs/dbraw/zinc/00/32/97/375003297.db2.gz ZCSHVIHEEPCAMO-CYBMUJFWSA-N 0 0 287.407 3.330 20 10 CGCDRN COc1cccc(CNc2cc(F)c(OC)cc2C)c1O ZINC000187489363 375029083 /nfs/dbraw/zinc/02/90/83/375029083.db2.gz HWECEWCUHWOOPS-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000187910508 375112910 /nfs/dbraw/zinc/11/29/10/375112910.db2.gz CEZCLKSHVFKTDQ-GHMZBOCLSA-N 0 0 285.334 3.280 20 10 CGCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCCc2ncccc21 ZINC000492776291 375452584 /nfs/dbraw/zinc/45/25/84/375452584.db2.gz MPJDAXGZTFWQNC-SOFGYWHQSA-N 0 0 299.761 3.123 20 10 CGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1F ZINC000255217197 377741411 /nfs/dbraw/zinc/74/14/11/377741411.db2.gz SRIWRQXMUASLRB-SREVYHEPSA-N 0 0 274.270 3.036 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000266985288 378030931 /nfs/dbraw/zinc/03/09/31/378030931.db2.gz PXUSABZUXBVYGS-ZIAGYGMSSA-N 0 0 298.386 3.384 20 10 CGCDRN CO[C@@H](C)c1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000271724910 378502791 /nfs/dbraw/zinc/50/27/91/378502791.db2.gz YPTFSSRWHGDZIK-MNOVXSKESA-N 0 0 292.404 3.407 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000271835997 378510667 /nfs/dbraw/zinc/51/06/67/378510667.db2.gz PSAARPLMKRQZRB-OAHLLOKOSA-N 0 0 291.778 3.259 20 10 CGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCC[C@@H]1O ZINC000272646291 378682666 /nfs/dbraw/zinc/68/26/66/378682666.db2.gz PDOMDGDRHJLDLG-RISCZKNCSA-N 0 0 283.799 3.029 20 10 CGCDRN C[C@H]1C[C@H](C(=O)NCc2ccccc2O)C[C@@H](C)C1 ZINC000272506606 378652864 /nfs/dbraw/zinc/65/28/64/378652864.db2.gz JITZKRJRBJDVHN-IMRBUKKESA-N 0 0 261.365 3.081 20 10 CGCDRN C[C@H](CCO)C1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000273485579 378749665 /nfs/dbraw/zinc/74/96/65/378749665.db2.gz NGLRVFXPGJHQKB-CHWSQXEVSA-N 0 0 295.398 3.371 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1C1CCCC1 ZINC000731870270 572429977 /nfs/dbraw/zinc/42/99/77/572429977.db2.gz KACKNXDBNFTYHC-LBPRGKRZSA-N 0 0 265.378 3.249 20 10 CGCDRN Cn1nccc1CCSc1ncc(-c2ccccc2)n1C ZINC000282715023 379975834 /nfs/dbraw/zinc/97/58/34/379975834.db2.gz VHIVDTFQKPUFOZ-UHFFFAOYSA-N 0 0 298.415 3.155 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(F)cc1[O-] ZINC000285530896 380150401 /nfs/dbraw/zinc/15/04/01/380150401.db2.gz BPVOGZQMMLAYFR-HIFRSBDPSA-N 0 0 293.338 3.207 20 10 CGCDRN CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(F)cc1[O-] ZINC000285732925 380152188 /nfs/dbraw/zinc/15/21/88/380152188.db2.gz QTTSPNHHYKPVKV-OAHLLOKOSA-N 0 0 291.370 3.236 20 10 CGCDRN O=C(NCc1c(F)cccc1Cl)C1=CC(=O)CS1 ZINC000732267655 572455533 /nfs/dbraw/zinc/45/55/33/572455533.db2.gz PBZUUZAVSZSSPE-UHFFFAOYSA-N 0 0 285.727 3.176 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000036961321 391978085 /nfs/dbraw/zinc/97/80/85/391978085.db2.gz AONXBKHGAWPCTB-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN Cc1ccc([C@@H]2COCCN2Cc2cc(C)ccc2O)o1 ZINC000093460020 392236835 /nfs/dbraw/zinc/23/68/35/392236835.db2.gz QXUPKVWNIBVUFU-HNNXBMFYSA-N 0 0 287.359 3.176 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cccnc2Cl)cc1 ZINC000104945254 392281221 /nfs/dbraw/zinc/28/12/21/392281221.db2.gz JVNWHLZXVVCUTJ-UHFFFAOYSA-N 0 0 289.810 3.433 20 10 CGCDRN CC[C@H](SC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178511408 392680739 /nfs/dbraw/zinc/68/07/39/392680739.db2.gz YKTMYCPFLXAEHA-HNNXBMFYSA-N 0 0 292.448 3.045 20 10 CGCDRN COc1ccc(N(C)CC(F)(F)C(F)F)cc1OC ZINC000733897977 572610537 /nfs/dbraw/zinc/61/05/37/572610537.db2.gz UVUYHUHFOWCCKG-UHFFFAOYSA-N 0 0 281.249 3.040 20 10 CGCDRN C[C@@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc2S1 ZINC000493127787 296497818 /nfs/dbraw/zinc/49/78/18/296497818.db2.gz ZVWDGKDHPNRUNN-ZHRWSRJISA-N 0 0 299.399 3.340 20 10 CGCDRN CCC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000734518521 572660585 /nfs/dbraw/zinc/66/05/85/572660585.db2.gz FXEQVKURNNZKLM-CYBMUJFWSA-N 0 0 277.412 3.049 20 10 CGCDRN CCCOc1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000037015676 172875273 /nfs/dbraw/zinc/87/52/73/172875273.db2.gz YMHZYIJEZSRSQV-UHFFFAOYSA-N 0 0 284.359 3.239 20 10 CGCDRN CC(C)[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000298187292 260147447 /nfs/dbraw/zinc/14/74/47/260147447.db2.gz FDPGQALFZSFVLD-AWEZNQCLSA-N 0 0 276.405 3.196 20 10 CGCDRN CCCC[C@H](CC)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156605388 261127370 /nfs/dbraw/zinc/12/73/70/261127370.db2.gz VWBYQXCUWRSZLN-ZDUSSCGKSA-N 0 0 293.407 3.363 20 10 CGCDRN CC(C)COc1ccc(CC(=O)Nc2ccc(N)cc2)cc1 ZINC000160371531 261212686 /nfs/dbraw/zinc/21/26/86/261212686.db2.gz BKOYJVHEPPVFFV-UHFFFAOYSA-N 0 0 298.386 3.485 20 10 CGCDRN Cc1cscc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000163271426 261310779 /nfs/dbraw/zinc/31/07/79/261310779.db2.gz JVRADXQBJXVOQU-UHFFFAOYSA-N 0 0 289.404 3.444 20 10 CGCDRN CC(C)(C)c1cnc(SCCC2OCCO2)s1 ZINC000163726879 261327150 /nfs/dbraw/zinc/32/71/50/261327150.db2.gz YYOXQVSGEGYSQO-UHFFFAOYSA-N 0 0 273.423 3.296 20 10 CGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185454022 262055437 /nfs/dbraw/zinc/05/54/37/262055437.db2.gz ZIDMHZPBRRSCTG-SJCJKPOMSA-N 0 0 289.350 3.090 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1[O-] ZINC000185650765 262064414 /nfs/dbraw/zinc/06/44/14/262064414.db2.gz DCMNNAQYWWXELE-XBFCOCLRSA-N 0 0 280.387 3.055 20 10 CGCDRN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185711384 262068020 /nfs/dbraw/zinc/06/80/20/262068020.db2.gz NUSKVSRBSUEPAB-IRXDYDNUSA-N 0 0 286.419 3.195 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000186515274 262316020 /nfs/dbraw/zinc/31/60/20/262316020.db2.gz UTKJYFJVAOLOJN-YPMHNXCESA-N 0 0 267.344 3.141 20 10 CGCDRN FC(F)c1nnc(NCc2ccc(N3CCCC3)cc2)o1 ZINC000276436505 263036742 /nfs/dbraw/zinc/03/67/42/263036742.db2.gz ZQBAAXZXJRPRLP-UHFFFAOYSA-N 0 0 294.305 3.220 20 10 CGCDRN 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CCCCNC(=O)CN(CC(C)C)c1ccc(OC)cc1 ZINC000746171182 572859479 /nfs/dbraw/zinc/85/94/79/572859479.db2.gz UEPCZMNGUZCCEK-UHFFFAOYSA-N 0 0 292.423 3.074 20 10 CGCDRN Cc1cc(CCNC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000746425972 572871015 /nfs/dbraw/zinc/87/10/15/572871015.db2.gz LLNNQCUHWAVSAE-UGSOOPFHSA-N 0 0 296.414 3.409 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC23CCCC3)cc1 ZINC000747350280 572926208 /nfs/dbraw/zinc/92/62/08/572926208.db2.gz PFAWUZXQRCDTBV-MRXNPFEDSA-N 0 0 286.419 3.291 20 10 CGCDRN CCc1ccc(NC(=S)NCc2ccccc2O)cc1 ZINC000748157322 572964093 /nfs/dbraw/zinc/96/40/93/572964093.db2.gz LEWVMYDJBNFRQT-UHFFFAOYSA-N 0 0 286.400 3.441 20 10 CGCDRN Cc1cc(C)cc(NC(=S)NCc2ccccc2O)c1 ZINC000748156330 572964175 /nfs/dbraw/zinc/96/41/75/572964175.db2.gz FGEVCDIXLYXWED-UHFFFAOYSA-N 0 0 286.400 3.496 20 10 CGCDRN O=C(CCc1cccc(Cl)c1)NCc1ccccc1O ZINC000748349625 572974669 /nfs/dbraw/zinc/97/46/69/572974669.db2.gz IPFKHJZCCXFPKZ-UHFFFAOYSA-N 0 0 289.762 3.295 20 10 CGCDRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)C1=CC(=O)CS1 ZINC000748371589 572974983 /nfs/dbraw/zinc/97/49/83/572974983.db2.gz WKNBVBZYYCTASM-CMPLNLGQSA-N 0 0 267.394 3.495 20 10 CGCDRN O=C(NCc1ccccc1O)NCc1ccccc1Cl ZINC000748462781 572978061 /nfs/dbraw/zinc/97/80/61/572978061.db2.gz JBKJNRNWQFZMDU-UHFFFAOYSA-N 0 0 290.750 3.045 20 10 CGCDRN C[C@@H]1c2ccccc2CCN1C(=O)C1=CC(=O)CS1 ZINC000748505330 572979391 /nfs/dbraw/zinc/97/93/91/572979391.db2.gz PEURKJMLMIDSHK-SNVBAGLBSA-N 0 0 273.357 3.213 20 10 CGCDRN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000387807677 599840919 /nfs/dbraw/zinc/84/09/19/599840919.db2.gz RFSNQVKLXUZSRP-CQSZACIVSA-N 0 0 299.370 3.375 20 10 CGCDRN Cc1oc(C(C)(C)C)cc1C=C1SC(=S)NC1=O ZINC000899341215 620643639 /nfs/dbraw/zinc/64/36/39/620643639.db2.gz WTPBYESIYCZTJF-UITAMQMPSA-N 0 0 281.402 3.374 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1cccc(Cl)c1[O-] ZINC000806136337 617973697 /nfs/dbraw/zinc/97/36/97/617973697.db2.gz WUNOAJAHCXGFSH-SMDDNHRTSA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(O)c2O)C1 ZINC000286197437 617627742 /nfs/dbraw/zinc/62/77/42/617627742.db2.gz BLZKYGBRJSOPTD-SWLSCSKDSA-N 0 0 297.354 3.321 20 10 CGCDRN CC(C)CCO[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890757402 617813589 /nfs/dbraw/zinc/81/35/89/617813589.db2.gz CKZQADCZVHKRPY-LLVKDONJSA-N 0 0 299.798 3.113 20 10 CGCDRN CC1(C)CC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760045 617815145 /nfs/dbraw/zinc/81/51/45/617815145.db2.gz ZGAUXZUXNNLRFD-SNVBAGLBSA-N 0 0 281.783 3.488 20 10 CGCDRN CCC(C)(CC)C(=O)NCc1cccc(Cl)c1O ZINC000890759185 617815846 /nfs/dbraw/zinc/81/58/46/617815846.db2.gz FWPHFMPQDWZBEN-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN CC[C@@H](CC(C)C)C(=O)N(C)Cc1ccccc1O ZINC000308094722 618162346 /nfs/dbraw/zinc/16/23/46/618162346.db2.gz YANAOQWTSFDCPQ-ZDUSSCGKSA-N 0 0 263.381 3.423 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C2CC2)CC1 ZINC000900400363 620784838 /nfs/dbraw/zinc/78/48/38/620784838.db2.gz MSODKVBRGKGDKP-UHFFFAOYSA-N 0 0 286.419 3.291 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)NC(C1CC1)C1CC1 ZINC000891724357 618265532 /nfs/dbraw/zinc/26/55/32/618265532.db2.gz XFFPBXKXBAFVGD-UHFFFAOYSA-N 0 0 294.782 3.033 20 10 CGCDRN CC[C@@H](CSC)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000091097052 618461494 /nfs/dbraw/zinc/46/14/94/618461494.db2.gz PZJVVUCVOSHBIZ-ZDUSSCGKSA-N 0 0 299.411 3.307 20 10 CGCDRN Oc1c(F)cccc1CNc1ccc(Cl)nc1 ZINC000158827798 618735132 /nfs/dbraw/zinc/73/51/32/618735132.db2.gz LYERWKVZODKFAF-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(CO)CCCC1 ZINC000053044654 618745576 /nfs/dbraw/zinc/74/55/76/618745576.db2.gz GHGPYSQDQCQQHH-UHFFFAOYSA-N 0 0 290.190 3.094 20 10 CGCDRN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(O)c2O)C1 ZINC000286197430 618762355 /nfs/dbraw/zinc/76/23/55/618762355.db2.gz BLZKYGBRJSOPTD-DOMZBBRYSA-N 0 0 297.354 3.321 20 10 CGCDRN Cc1ccc(C(=O)Nc2cc(F)ccc2C)c(O)c1O ZINC000179384773 618780338 /nfs/dbraw/zinc/78/03/38/618780338.db2.gz LFNFCWGLUVGLML-UHFFFAOYSA-N 0 0 275.279 3.106 20 10 CGCDRN COc1cccc(CNc2cccc(C#N)c2C)c1O ZINC000181456637 619025334 /nfs/dbraw/zinc/02/53/34/619025334.db2.gz VPZUBXQFRGASJZ-UHFFFAOYSA-N 0 0 268.316 3.193 20 10 CGCDRN CCOc1ccccc1N(C)Cc1cccc(OC)c1O ZINC000188694730 619086787 /nfs/dbraw/zinc/08/67/87/619086787.db2.gz VZEZEBPVQOUERE-UHFFFAOYSA-N 0 0 287.359 3.436 20 10 CGCDRN Cc1nc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000310925028 619099653 /nfs/dbraw/zinc/09/96/53/619099653.db2.gz GPCNHLNHRSQEQE-UHFFFAOYSA-N 0 0 282.796 3.409 20 10 CGCDRN C[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776255510 619118322 /nfs/dbraw/zinc/11/83/22/619118322.db2.gz FWXLJBZEYRPOJS-VHSXEESVSA-N 0 0 287.762 3.089 20 10 CGCDRN CC[C@@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000192895659 619123607 /nfs/dbraw/zinc/12/36/07/619123607.db2.gz LOSBMIQOLOPUSZ-LBPRGKRZSA-N 0 0 285.343 3.021 20 10 CGCDRN Cc1noc(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000198837447 619162141 /nfs/dbraw/zinc/16/21/41/619162141.db2.gz OHIXYCOTKDYRBY-UHFFFAOYSA-N 0 0 286.360 3.071 20 10 CGCDRN C=Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000185240267 625327234 /nfs/dbraw/zinc/32/72/34/625327234.db2.gz NZYUBGLSBLHFJE-UHFFFAOYSA-N 0 0 280.371 3.326 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(F)(F)c1ccccc1 ZINC000053916329 619228229 /nfs/dbraw/zinc/22/82/29/619228229.db2.gz ZSWQIDCDEJQUGF-UHFFFAOYSA-N 0 0 291.297 3.143 20 10 CGCDRN COc1cccc(NNC(=S)Nc2ccccc2C)c1 ZINC000018167666 619521310 /nfs/dbraw/zinc/52/13/10/619521310.db2.gz VJUNGSTVLLKLGZ-UHFFFAOYSA-N 0 0 287.388 3.317 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000894483115 619547905 /nfs/dbraw/zinc/54/79/05/619547905.db2.gz JCLXYSHCFDVQPK-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000894532942 619565606 /nfs/dbraw/zinc/56/56/06/619565606.db2.gz LANYUVZXKZUOQU-OAHLLOKOSA-N 0 0 297.345 3.061 20 10 CGCDRN Cc1cc(O)c(CN2CC(C(F)(F)F)C2)cc1Cl ZINC000894890589 619669873 /nfs/dbraw/zinc/66/98/73/619669873.db2.gz KHLDAVWTXHMBJO-UHFFFAOYSA-N 0 0 279.689 3.348 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)C2CCCC2)c1 ZINC000749529727 619737704 /nfs/dbraw/zinc/73/77/04/619737704.db2.gz AADSUNKZPLIFKZ-RYUDHWBXSA-N 0 0 291.391 3.404 20 10 CGCDRN Cc1cc(NC(=O)Nc2ccc(N)cc2)nn1[C@H](C)C1CC1 ZINC000841296268 619821579 /nfs/dbraw/zinc/82/15/79/619821579.db2.gz SLZSLQAKASOITN-LLVKDONJSA-N 0 0 299.378 3.389 20 10 CGCDRN CCCO[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841300510 619841353 /nfs/dbraw/zinc/84/13/53/619841353.db2.gz QUXNITZEUWUIEI-HNNXBMFYSA-N 0 0 291.395 3.082 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1C=CCC1 ZINC000895526504 619841643 /nfs/dbraw/zinc/84/16/43/619841643.db2.gz CYCZFGFVORAPLM-VIFPVBQESA-N 0 0 255.720 3.241 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(F)CC1 ZINC000895547094 619843804 /nfs/dbraw/zinc/84/38/04/619843804.db2.gz LDCDVTRTHTUIEO-UHFFFAOYSA-N 0 0 261.699 3.119 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000895676963 619867545 /nfs/dbraw/zinc/86/75/45/619867545.db2.gz GPOMROQVEOGYOM-GFCCVEGCSA-N 0 0 299.773 3.376 20 10 CGCDRN Oc1cccc2c1CN(Cc1nccc3c1CCCC3)C2 ZINC000895785018 619885452 /nfs/dbraw/zinc/88/54/52/619885452.db2.gz NXNIJUDTCFPQIO-UHFFFAOYSA-N 0 0 280.371 3.182 20 10 CGCDRN C[C@@H](N[C@@H](C)C(F)F)c1ccc(Br)cc1O ZINC000883399772 619996349 /nfs/dbraw/zinc/99/63/49/619996349.db2.gz UZCGPHYMNYQXTF-RQJHMYQMSA-N 0 0 294.139 3.459 20 10 CGCDRN Cc1scc(C[NH2+]Cc2c([O-])cccc2F)c1C ZINC000896641157 620042229 /nfs/dbraw/zinc/04/22/29/620042229.db2.gz LLXMUDNICCWBSD-UHFFFAOYSA-N 0 0 265.353 3.499 20 10 CGCDRN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1C ZINC000896837756 620074559 /nfs/dbraw/zinc/07/45/59/620074559.db2.gz JHMFAWYURFDJOD-RKDXNWHRSA-N 0 0 291.372 3.183 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)C2=CC(=O)CS2)[C@H]1C ZINC000796454447 620097992 /nfs/dbraw/zinc/09/79/92/620097992.db2.gz KLVLHPPRKNKORK-OUAUKWLOSA-N 0 0 267.394 3.256 20 10 CGCDRN Cc1cccc(CN2CCn3nc(C(C)(C)C)cc3C2)c1O ZINC000896943323 620109280 /nfs/dbraw/zinc/10/92/80/620109280.db2.gz VHUSEPHXMYWTIJ-UHFFFAOYSA-N 0 0 299.418 3.210 20 10 CGCDRN C[C@H](NC(=O)NCC(C)(C)C1CC1)c1ccccc1O ZINC000896974024 620115407 /nfs/dbraw/zinc/11/54/07/620115407.db2.gz ZHQNUKPMJJOWMD-NSHDSACASA-N 0 0 276.380 3.189 20 10 CGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCCC2(CC2)C1 ZINC000928708195 620207982 /nfs/dbraw/zinc/20/79/82/620207982.db2.gz AYLOYUCKLRSDDW-NSHDSACASA-N 0 0 277.339 3.118 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1COCC[C@@H]1c1ccccc1 ZINC000888194064 620333146 /nfs/dbraw/zinc/33/31/46/620333146.db2.gz CXRZAZPXWSCGED-CYBMUJFWSA-N 0 0 289.356 3.015 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897496189 620354339 /nfs/dbraw/zinc/35/43/39/620354339.db2.gz KHCVMEMSROQEAV-PSASIEDQSA-N 0 0 291.372 3.231 20 10 CGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000148621954 620400261 /nfs/dbraw/zinc/40/02/61/620400261.db2.gz IDFVFVFANJREOM-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cncs1 ZINC000897929901 620449898 /nfs/dbraw/zinc/44/98/98/620449898.db2.gz DIJACLPECZFZNC-ZETCQYMHSA-N 0 0 286.759 3.492 20 10 CGCDRN O=C(NCC1=CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000898977029 620612249 /nfs/dbraw/zinc/61/22/49/620612249.db2.gz DZWFPGGCUAUAGU-UHFFFAOYSA-N 0 0 289.356 3.153 20 10 CGCDRN CC1(C)C[C@@]1(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000899203183 620625227 /nfs/dbraw/zinc/62/52/27/620625227.db2.gz JGIWSJSEIMCONH-HNNXBMFYSA-N 0 0 288.351 3.015 20 10 CGCDRN CCN1C(=O)/C(=C\c2cc(C)cnc2Cl)SC1=S ZINC000901415089 620880703 /nfs/dbraw/zinc/88/07/03/620880703.db2.gz CSDGNDGDYNYNHA-WEVVVXLNSA-N 0 0 298.820 3.265 20 10 CGCDRN CN(C)c1ccc(CNc2cnc(C3CC3)nc2)cc1F ZINC000902089810 621143456 /nfs/dbraw/zinc/14/34/56/621143456.db2.gz FRGPWQXOEGOOIT-UHFFFAOYSA-N 0 0 286.354 3.171 20 10 CGCDRN CC[C@H]([NH2+]CCCON)c1cc(Cl)cc(Cl)c1[O-] ZINC000902414490 621323399 /nfs/dbraw/zinc/32/33/99/621323399.db2.gz BPQKQSOPGXMNEX-NSHDSACASA-N 0 0 293.194 3.020 20 10 CGCDRN Oc1cccc2c1[C@H](N[C@H]1c3ccccc3OC[C@H]1F)CC2 ZINC000903266697 621653704 /nfs/dbraw/zinc/65/37/04/621653704.db2.gz UWWRDTLEKOAXDN-LBTNJELSSA-N 0 0 299.345 3.441 20 10 CGCDRN CSc1cncc(NCc2ccc(N(C)C)cc2)c1 ZINC000905415248 622070090 /nfs/dbraw/zinc/07/00/90/622070090.db2.gz WALHFIYHOTXVGU-UHFFFAOYSA-N 0 0 273.405 3.482 20 10 CGCDRN S=C(NCc1nccc2c1CCCC2)Nc1ccccc1 ZINC000905616579 622090515 /nfs/dbraw/zinc/09/05/15/622090515.db2.gz VQTAMLAMKVIAIU-UHFFFAOYSA-N 0 0 297.427 3.447 20 10 CGCDRN CCc1ccc([C@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910955190 622509918 /nfs/dbraw/zinc/50/99/18/622509918.db2.gz OMBKDVFYPSKTNN-LBPRGKRZSA-N 0 0 299.370 3.080 20 10 CGCDRN CCCCC[C@@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910951844 622510366 /nfs/dbraw/zinc/51/03/66/622510366.db2.gz WIZOWZROBYFCHP-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN CC(C)(C)CCCCC(=O)NCc1ccc(O)cc1O ZINC000910946987 622511627 /nfs/dbraw/zinc/51/16/27/622511627.db2.gz YBIIORWBZOGMJC-UHFFFAOYSA-N 0 0 279.380 3.321 20 10 CGCDRN CC(C)=CCC[C@@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910943463 622511762 /nfs/dbraw/zinc/51/17/62/622511762.db2.gz DDQJPYUKJABGKJ-CYBMUJFWSA-N 0 0 291.391 3.487 20 10 CGCDRN COc1ccc(CNc2ncccc2Cl)c(O)c1 ZINC000083480159 625592038 /nfs/dbraw/zinc/59/20/38/625592038.db2.gz ZRMKRARSVJJNLY-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H](C)CC[C@@H]1C ZINC000151442404 622786944 /nfs/dbraw/zinc/78/69/44/622786944.db2.gz ILZWEOOLDFNKED-OKILXGFUSA-N 0 0 289.423 3.143 20 10 CGCDRN CC(C)(C)/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156364468 622815611 /nfs/dbraw/zinc/81/56/11/622815611.db2.gz ZBVWZHXUIGPDEZ-ZHACJKMWSA-N 0 0 287.403 3.490 20 10 CGCDRN CCCSCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000055446529 622829269 /nfs/dbraw/zinc/82/92/69/622829269.db2.gz GGUKWJWIXRCKOT-UHFFFAOYSA-N 0 0 294.464 3.292 20 10 CGCDRN C[C@H](Cc1ccsc1)[NH2+]Cc1cc(F)ccc1O ZINC000226586043 622986367 /nfs/dbraw/zinc/98/63/67/622986367.db2.gz KOCWDVNNNCTZBD-SNVBAGLBSA-N 0 0 265.353 3.314 20 10 CGCDRN OCCCc1cccc(NCc2cc(F)ccc2O)c1 ZINC000227837174 623032695 /nfs/dbraw/zinc/03/26/95/623032695.db2.gz AZGGJBQQOFBZIT-UHFFFAOYSA-N 0 0 275.323 3.068 20 10 CGCDRN Cc1cc(NCc2cc3c(cc2O)OCO3)ccc1F ZINC000061116629 623101159 /nfs/dbraw/zinc/10/11/59/623101159.db2.gz TXIUEILVIKQYBW-UHFFFAOYSA-N 0 0 275.279 3.181 20 10 CGCDRN Oc1ccccc1CNc1ncc(Br)cc1F ZINC000229535679 623142089 /nfs/dbraw/zinc/14/20/89/623142089.db2.gz WRLFOJPSQRNYBI-UHFFFAOYSA-N 0 0 297.127 3.301 20 10 CGCDRN COc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000062744788 623265202 /nfs/dbraw/zinc/26/52/02/623265202.db2.gz CKWPOJMEWRXKCO-LBPRGKRZSA-N 0 0 289.350 3.433 20 10 CGCDRN COc1ccc(N[C@H](C)c2ccc(F)cc2O)cn1 ZINC000062744685 623265209 /nfs/dbraw/zinc/26/52/09/623265209.db2.gz GWCVLWJKKMJEJT-SECBINFHSA-N 0 0 262.284 3.108 20 10 CGCDRN CCOc1ccccc1NC[C@@H](O)CC1CCCC1 ZINC000232127083 623363005 /nfs/dbraw/zinc/36/30/05/623363005.db2.gz SLLOVXXMWORIPI-AWEZNQCLSA-N 0 0 263.381 3.438 20 10 CGCDRN CCn1cc(Cl)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000913726827 623569829 /nfs/dbraw/zinc/56/98/29/623569829.db2.gz YBCBAKQXLKYCLY-UHFFFAOYSA-N 0 0 290.750 3.023 20 10 CGCDRN Nc1ccc(CCNC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000152511361 623684446 /nfs/dbraw/zinc/68/44/46/623684446.db2.gz RNEQEEDKWWYBER-UHFFFAOYSA-N 0 0 294.398 3.049 20 10 CGCDRN Cc1cc(C(=O)OC/C=C/Cl)c(C)n1-c1ccccn1 ZINC000914903307 623875599 /nfs/dbraw/zinc/87/55/99/623875599.db2.gz JFNHVNBOFSDPLO-FNORWQNLSA-N 0 0 290.750 3.398 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCCOc1ccccc1 ZINC000917307989 624258860 /nfs/dbraw/zinc/25/88/60/624258860.db2.gz WDVRSYHKAPISPC-UHFFFAOYSA-N 0 0 299.370 3.210 20 10 CGCDRN CC1(CNC(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000232883909 624279106 /nfs/dbraw/zinc/27/91/06/624279106.db2.gz VJNYZQFKKXSCNX-UHFFFAOYSA-N 0 0 261.369 3.361 20 10 CGCDRN C[C@H]1CCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000154557638 624317778 /nfs/dbraw/zinc/31/77/78/624317778.db2.gz OTJJNVULHLRZLT-QWRGUYRKSA-N 0 0 299.465 3.065 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N(C)c1ccccc1 ZINC000919675428 624416877 /nfs/dbraw/zinc/41/68/77/624416877.db2.gz FRJIFIHSFUGFNP-JTQLQIEISA-N 0 0 278.402 3.287 20 10 CGCDRN Cc1cc(C(=O)OC2CCC2)c(C)n1-c1ccccn1 ZINC000175196786 624619700 /nfs/dbraw/zinc/61/97/00/624619700.db2.gz KPNBGUOYBJGYSS-UHFFFAOYSA-N 0 0 270.332 3.198 20 10 CGCDRN C[C@@H]1CCC[C@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000175505162 624641453 /nfs/dbraw/zinc/64/14/53/624641453.db2.gz ZFXJHQTUVBZJLV-OLZOCXBDSA-N 0 0 261.365 3.177 20 10 CGCDRN Cc1cccc(CN(C)c2ccc3c(c2)OCO3)c1O ZINC000180759655 624769617 /nfs/dbraw/zinc/76/96/17/624769617.db2.gz PJIATJODBBKLOW-UHFFFAOYSA-N 0 0 271.316 3.066 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2cc(F)ccc2C1 ZINC000181442347 624860675 /nfs/dbraw/zinc/86/06/75/624860675.db2.gz BYPWLJQZBRCZHT-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C2(C)CCCCCC2)c1 ZINC000182264630 624972314 /nfs/dbraw/zinc/97/23/14/624972314.db2.gz ICDXCEOYTDVGML-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN Nc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000070168705 624975691 /nfs/dbraw/zinc/97/56/91/624975691.db2.gz KGAJBYJLTJTUHT-UHFFFAOYSA-N 0 0 294.713 3.079 20 10 CGCDRN CC(=O)Nc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071403616 625086218 /nfs/dbraw/zinc/08/62/18/625086218.db2.gz PBFCGXIMIXESEL-UHFFFAOYSA-N 0 0 270.332 3.271 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cccc(F)c1C#N ZINC000183599348 625095918 /nfs/dbraw/zinc/09/59/18/625095918.db2.gz SAWWVSTVTYUWFY-JTQLQIEISA-N 0 0 286.306 3.152 20 10 CGCDRN CSCCCCCCNC(=O)c1ccc(C)c(O)c1O ZINC000184362779 625226041 /nfs/dbraw/zinc/22/60/41/625226041.db2.gz FJBJIJNPKPFQEG-UHFFFAOYSA-N 0 0 297.420 3.059 20 10 CGCDRN C[C@@H](Nc1cnn(CC2CC2)c1)c1ccc(F)cc1O ZINC000186358195 625794559 /nfs/dbraw/zinc/79/45/59/625794559.db2.gz UCUVVVWVMJAHNX-SNVBAGLBSA-N 0 0 275.327 3.311 20 10 CGCDRN CS[C@@H](C)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000773204869 625869428 /nfs/dbraw/zinc/86/94/28/625869428.db2.gz MNKXZYMBQFAYMC-ZDUSSCGKSA-N 0 0 294.464 3.243 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873751522 634476898 /nfs/dbraw/zinc/47/68/98/634476898.db2.gz KZTKSKZUYHURDJ-MFKMUULPSA-N 0 0 288.351 3.158 20 10 CGCDRN CC(C)[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000121331743 626209526 /nfs/dbraw/zinc/20/95/26/626209526.db2.gz IGSVOMHTZWTPSG-UHFFFAOYSA-N 0 0 284.743 3.327 20 10 CGCDRN CC(C)C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])N(C)C ZINC000124694436 634486414 /nfs/dbraw/zinc/48/64/14/634486414.db2.gz UZAQQMRGLNCBFZ-ZDUSSCGKSA-N 0 0 284.831 3.112 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@H](C)F ZINC000838620340 626239632 /nfs/dbraw/zinc/23/96/32/626239632.db2.gz WSSYLDFGXXKZAQ-LBPRGKRZSA-N 0 0 282.359 3.062 20 10 CGCDRN Cc1ncc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)o1 ZINC000840794340 626245145 /nfs/dbraw/zinc/24/51/45/626245145.db2.gz HRSFKKNDKOXKAH-QMMMGPOBSA-N 0 0 266.728 3.193 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839148038 626317623 /nfs/dbraw/zinc/31/76/23/626317623.db2.gz VKGFULRVGBMRQK-AOOOYVTPSA-N 0 0 287.762 3.230 20 10 CGCDRN C[C@@H](N(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC000873961176 634498191 /nfs/dbraw/zinc/49/81/91/634498191.db2.gz JLASCPKQRREATL-SNVBAGLBSA-N 0 0 290.367 3.356 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@H]2C2CC2)C2CC2)cc1 ZINC000751228969 626382099 /nfs/dbraw/zinc/38/20/99/626382099.db2.gz WDUXVWCBJQUIJP-ZWKOTPCHSA-N 0 0 298.430 3.290 20 10 CGCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC000751426356 626389840 /nfs/dbraw/zinc/38/98/40/626389840.db2.gz REANWTDYXXYILS-RISCZKNCSA-N 0 0 287.384 3.472 20 10 CGCDRN CC[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751932006 626412011 /nfs/dbraw/zinc/41/20/11/626412011.db2.gz RHAHFHMEIWBCTH-SNVBAGLBSA-N 0 0 290.388 3.271 20 10 CGCDRN CCc1ccc(NC(=O)NCc2ccccc2O)cc1F ZINC000752363560 626426501 /nfs/dbraw/zinc/42/65/01/626426501.db2.gz ATRPJMXJFSPFPQ-UHFFFAOYSA-N 0 0 288.322 3.415 20 10 CGCDRN CC(C)(C)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000753222340 626448169 /nfs/dbraw/zinc/44/81/69/626448169.db2.gz QRSFKYGVKKYMLK-SCXUMTSISA-N 0 0 289.375 3.006 20 10 CGCDRN Cc1ccc([C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)cc1 ZINC000753515484 626453690 /nfs/dbraw/zinc/45/36/90/626453690.db2.gz YCZUNSGNMOHQEQ-CYBMUJFWSA-N 0 0 287.384 3.392 20 10 CGCDRN CCC[C@H](C)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000753592613 626457578 /nfs/dbraw/zinc/45/75/78/626457578.db2.gz ZDRMKZNLKIGBFD-ZDUSSCGKSA-N 0 0 279.380 3.111 20 10 CGCDRN Cc1cc(C(=O)N2CCCO2)c(C)n1-c1cccc(C)c1 ZINC000753660098 626461217 /nfs/dbraw/zinc/46/12/17/626461217.db2.gz AGPKQPDDCSCCQB-UHFFFAOYSA-N 0 0 284.359 3.180 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C\c1ccc(C)nc1 ZINC000754149125 626560780 /nfs/dbraw/zinc/56/07/80/626560780.db2.gz KOVPDZHKKPEGBF-KHPPLWFESA-N 0 0 282.343 3.075 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2C[C@H](C)Oc3ccccc32)cn1 ZINC000754259684 626565225 /nfs/dbraw/zinc/56/52/25/626565225.db2.gz IZMILDMKDQXGPM-CMUBDUJZSA-N 0 0 294.354 3.217 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000755530702 626628839 /nfs/dbraw/zinc/62/88/39/626628839.db2.gz MLLFBVSRZFKRHN-LBPRGKRZSA-N 0 0 293.407 3.479 20 10 CGCDRN COCC(C)(C)CN(C)c1ccc(OC)c(Cl)c1 ZINC000756102841 626677319 /nfs/dbraw/zinc/67/73/19/626677319.db2.gz SODDEJBOALKKRB-UHFFFAOYSA-N 0 0 271.788 3.457 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756371549 626697536 /nfs/dbraw/zinc/69/75/36/626697536.db2.gz LDBWKBWLESXLCK-SECBINFHSA-N 0 0 278.333 3.213 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756408153 626702141 /nfs/dbraw/zinc/70/21/41/626702141.db2.gz KLNACEIJOZCPBQ-JTQLQIEISA-N 0 0 281.302 3.465 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000756595086 626719144 /nfs/dbraw/zinc/71/91/44/626719144.db2.gz TUSYQDKQIRKBKU-NWDGAFQWSA-N 0 0 279.380 3.122 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(F)cc(F)c1[O-] ZINC000756656452 626725171 /nfs/dbraw/zinc/72/51/71/626725171.db2.gz XXVRAJPVSRLFHJ-FOOGCRFISA-N 0 0 297.345 3.279 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C(C)C)CC2)c1 ZINC000756748087 626729386 /nfs/dbraw/zinc/72/93/86/626729386.db2.gz WCHLQXAEULLSDM-GFCCVEGCSA-N 0 0 291.391 3.266 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756769813 626730388 /nfs/dbraw/zinc/73/03/88/626730388.db2.gz NXAIBOIVUJBQGB-VHSXEESVSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(Cl)o1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756790622 626732649 /nfs/dbraw/zinc/73/26/49/626732649.db2.gz PNRUTOVNCRTWSD-QMMMGPOBSA-N 0 0 296.710 3.398 20 10 CGCDRN CCn1cc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756856552 626737808 /nfs/dbraw/zinc/73/78/08/626737808.db2.gz SAAQULJLQILEGD-BXKDBHETSA-N 0 0 275.327 3.408 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000839542609 626761064 /nfs/dbraw/zinc/76/10/64/626761064.db2.gz UEKKVWVPDLRMLN-MAUKXSAKSA-N 0 0 299.345 3.236 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)o2)c1 ZINC000103530141 626774936 /nfs/dbraw/zinc/77/49/36/626774936.db2.gz YUQVDQFEFXCSEO-MRVPVSSYSA-N 0 0 295.722 3.138 20 10 CGCDRN C[C@@]1(CCNC(=O)C2=CC(=O)CS2)CC1(Cl)Cl ZINC000839785585 626788522 /nfs/dbraw/zinc/78/85/22/626788522.db2.gz HBKGJWCQEMFAKL-SNVBAGLBSA-N 0 0 294.203 3.158 20 10 CGCDRN C[C@@H](CCCC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000757685875 626800693 /nfs/dbraw/zinc/80/06/93/626800693.db2.gz DAUXEEMTIRYTHY-ZETCQYMHSA-N 0 0 281.299 3.305 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CC2(C)CC2)cc1 ZINC000757857335 626810740 /nfs/dbraw/zinc/81/07/40/626810740.db2.gz KZPXJYIBPNFGPT-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN CCc1noc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000759934520 626931733 /nfs/dbraw/zinc/93/17/33/626931733.db2.gz XHHHTQZHLFCXPN-UHFFFAOYSA-N 0 0 275.352 3.056 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760895698 627000606 /nfs/dbraw/zinc/00/06/06/627000606.db2.gz XCYKVLJPAHYTMO-NSHDSACASA-N 0 0 296.367 3.014 20 10 CGCDRN CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC000874447837 634543838 /nfs/dbraw/zinc/54/38/38/634543838.db2.gz YJWQNWRUVCRVRL-UHFFFAOYSA-N 0 0 288.351 3.159 20 10 CGCDRN Cc1cc(C)cc(CN(C)C(=O)c2ccc(C)c(O)c2O)c1 ZINC000765633281 627264210 /nfs/dbraw/zinc/26/42/10/627264210.db2.gz AZGGVGYIJHREBC-UHFFFAOYSA-N 0 0 299.370 3.295 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cscn1 ZINC000766273388 627311097 /nfs/dbraw/zinc/31/10/97/627311097.db2.gz XOCXIKFDFMDRAU-UHFFFAOYSA-N 0 0 274.389 3.495 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cscn1 ZINC000768107477 627459839 /nfs/dbraw/zinc/45/98/39/627459839.db2.gz YZHONLRBSKJKMJ-LBPRGKRZSA-N 0 0 275.421 3.368 20 10 CGCDRN C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768272979 627472492 /nfs/dbraw/zinc/47/24/92/627472492.db2.gz XPAYCNFQEWDPQB-SFYZADRCSA-N 0 0 292.257 3.292 20 10 CGCDRN C[C@@H](COc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000769282042 627535801 /nfs/dbraw/zinc/53/58/01/627535801.db2.gz HXSCKHMOLZXSAC-AWEZNQCLSA-N 0 0 299.370 3.066 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000769418527 627550533 /nfs/dbraw/zinc/55/05/33/627550533.db2.gz RZWSWLZWTWWKQB-RNCFNFMXSA-N 0 0 297.301 3.038 20 10 CGCDRN COc1cccc(O)c1C[N@@H+]1CCCC(C)(C)CC1 ZINC000769489867 627559836 /nfs/dbraw/zinc/55/98/36/627559836.db2.gz SKOQRAHYZHQOGN-UHFFFAOYSA-N 0 0 263.381 3.413 20 10 CGCDRN CCCC[C@H](CC)C(=O)NCc1cc(OC)ccc1O ZINC000769530462 627562784 /nfs/dbraw/zinc/56/27/84/627562784.db2.gz BLQVQAYMBOUTDH-LBPRGKRZSA-N 0 0 279.380 3.233 20 10 CGCDRN CC(C)CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000770325388 627613749 /nfs/dbraw/zinc/61/37/49/627613749.db2.gz HOEQBDIADXYRRJ-GFCCVEGCSA-N 0 0 283.799 3.293 20 10 CGCDRN C[C@@H](CC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000771848068 627735885 /nfs/dbraw/zinc/73/58/85/627735885.db2.gz WQLJKGPEKJVGKM-ZDUSSCGKSA-N 0 0 276.424 3.441 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000771893349 627742347 /nfs/dbraw/zinc/74/23/47/627742347.db2.gz HHWAKMZNKDJEJD-SJORKVTESA-N 0 0 288.435 3.393 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)Cc2ccoc2)C2CC2)cc1 ZINC000771931518 627745723 /nfs/dbraw/zinc/74/57/23/627745723.db2.gz IQULOFJHHGUAGT-UHFFFAOYSA-N 0 0 298.386 3.079 20 10 CGCDRN CCOc1ccc(N(C)Cc2ncc(C)s2)cc1 ZINC000772184561 627772105 /nfs/dbraw/zinc/77/21/05/627772105.db2.gz YCKPSEMIEZKTNF-UHFFFAOYSA-N 0 0 262.378 3.487 20 10 CGCDRN CCc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000772297941 627783143 /nfs/dbraw/zinc/78/31/43/627783143.db2.gz OYAWFVWSRFDZDB-LBPRGKRZSA-N 0 0 270.380 3.278 20 10 CGCDRN CN1C(=O)/C(=C\c2cncc3ccccc23)SC1=S ZINC000772800425 627824148 /nfs/dbraw/zinc/82/41/48/627824148.db2.gz SEKNSSVWKHGGIL-WUXMJOGZSA-N 0 0 286.381 3.066 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCCS1)c1ccc(N(C)C)cc1 ZINC000772997353 627839417 /nfs/dbraw/zinc/83/94/17/627839417.db2.gz HHFZSOPFSXKBIS-DOMZBBRYSA-N 0 0 292.448 3.216 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772998638 627839658 /nfs/dbraw/zinc/83/96/58/627839658.db2.gz JYBXBUINAKCGAL-SCLBCKFNSA-N 0 0 294.398 3.270 20 10 CGCDRN Cc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773015482 627842698 /nfs/dbraw/zinc/84/26/98/627842698.db2.gz OYAAEZXANUAUJW-JTQLQIEISA-N 0 0 289.404 3.009 20 10 CGCDRN C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773017354 627843028 /nfs/dbraw/zinc/84/30/28/627843028.db2.gz VKWOQAYZJIUJFA-LBPRGKRZSA-N 0 0 286.350 3.383 20 10 CGCDRN CCN(C)c1ccc(CN[C@H](C)c2nnc(C)s2)cc1 ZINC000773843796 627920061 /nfs/dbraw/zinc/92/00/61/627920061.db2.gz FSOPCSNKXMCPOR-LLVKDONJSA-N 0 0 290.436 3.153 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc2sccc2c(O)c1 ZINC000774063665 627941387 /nfs/dbraw/zinc/94/13/87/627941387.db2.gz IORRGPGMLVOEOT-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269215 627970609 /nfs/dbraw/zinc/97/06/09/627970609.db2.gz JVTBDXSYKCJWBZ-JGVFFNPUSA-N 0 0 276.163 3.139 20 10 CGCDRN CC(=O)c1c(F)cccc1NCc1ccccc1O ZINC000774523079 628001044 /nfs/dbraw/zinc/00/10/44/628001044.db2.gz DWQXIJYTJCHTGI-UHFFFAOYSA-N 0 0 259.280 3.346 20 10 CGCDRN CC(C)=C(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775411633 628092733 /nfs/dbraw/zinc/09/27/33/628092733.db2.gz RKYWKPXAJATHQW-ZDUSSCGKSA-N 0 0 260.381 3.286 20 10 CGCDRN C[C@@H](NC(=O)Nc1ccccn1)c1ccc(N(C)C)cc1 ZINC000775434626 628095132 /nfs/dbraw/zinc/09/51/32/628095132.db2.gz LGLMDDMWLXXWSL-GFCCVEGCSA-N 0 0 284.363 3.030 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cc(Cl)ccc1O ZINC000775492216 628100459 /nfs/dbraw/zinc/10/04/59/628100459.db2.gz NLVSDYVQBZJPIK-TZMCWYRMSA-N 0 0 285.815 3.493 20 10 CGCDRN CC[C@H](NCc1ccon1)c1cc(Cl)ccc1O ZINC000775512169 628102617 /nfs/dbraw/zinc/10/26/17/628102617.db2.gz NCCKBOVSJGROBU-LBPRGKRZSA-N 0 0 266.728 3.275 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(C2CC2)CC1 ZINC000776231752 628183205 /nfs/dbraw/zinc/18/32/05/628183205.db2.gz HZMAUVSGSZMZGB-UHFFFAOYSA-N 0 0 255.720 3.217 20 10 CGCDRN CCCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776238374 628183505 /nfs/dbraw/zinc/18/35/05/628183505.db2.gz NGAWBRHZKLIPFJ-ZDUSSCGKSA-N 0 0 289.423 3.398 20 10 CGCDRN CC1=CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776244294 628183957 /nfs/dbraw/zinc/18/39/57/628183957.db2.gz IKGIUJXSLOUVRR-AWEZNQCLSA-N 0 0 287.407 3.175 20 10 CGCDRN CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776250290 628184562 /nfs/dbraw/zinc/18/45/62/628184562.db2.gz UBVLSQREZMXDPO-CHWSQXEVSA-N 0 0 277.412 3.254 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H](C)C1 ZINC000776324646 628193506 /nfs/dbraw/zinc/19/35/06/628193506.db2.gz OEUMFLRERLWXKY-OCCSQVGLSA-N 0 0 274.408 3.113 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC000776668946 628224552 /nfs/dbraw/zinc/22/45/52/628224552.db2.gz WRBGDUXTOYZYFV-UHFFFAOYSA-N 0 0 299.292 3.083 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCCc3ccccc32)cn1 ZINC000777836681 628301803 /nfs/dbraw/zinc/30/18/03/628301803.db2.gz MOSIPNPRIUECAE-KHPPLWFESA-N 0 0 278.355 3.383 20 10 CGCDRN COC[C@@H](C)n1ccc(NCc2c(O)cccc2Cl)n1 ZINC000778212923 628334202 /nfs/dbraw/zinc/33/42/02/628334202.db2.gz GYOMFIUNCUIBGX-SNVBAGLBSA-N 0 0 295.770 3.062 20 10 CGCDRN CCc1ccc([C@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778919462 628378160 /nfs/dbraw/zinc/37/81/60/628378160.db2.gz DZIXWDVQDBGOBX-LBPRGKRZSA-N 0 0 299.370 3.080 20 10 CGCDRN COc1cc(F)c(NCc2cc(F)ccc2O)cc1OC ZINC000779036192 628384828 /nfs/dbraw/zinc/38/48/28/628384828.db2.gz SAMTZDJYAMLOGQ-UHFFFAOYSA-N 0 0 295.285 3.300 20 10 CGCDRN COc1cc2ccccc2cc1C=C1SC(=O)NC1=O ZINC000874927642 634652298 /nfs/dbraw/zinc/65/22/98/634652298.db2.gz FPUCUIDKFDNHEY-MDWZMJQESA-N 0 0 285.324 3.172 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779495727 628415567 /nfs/dbraw/zinc/41/55/67/628415567.db2.gz IDEQTSWEWFPZPT-VNAHCXKQSA-N 0 0 289.375 3.196 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000780622107 628505460 /nfs/dbraw/zinc/50/54/60/628505460.db2.gz QEQNNHMDZBRZDZ-NFAWXSAZSA-N 0 0 289.423 3.301 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCO[C@H](C)C2)cc1F ZINC000780779612 628516660 /nfs/dbraw/zinc/51/66/60/628516660.db2.gz PICVDYDJYGFLNW-NEPJUHHUSA-N 0 0 267.344 3.086 20 10 CGCDRN CCc1ncc(CN(C)c2ccc(OC)c(F)c2)s1 ZINC000780779704 628516943 /nfs/dbraw/zinc/51/69/43/628516943.db2.gz UYEWPXMOIDERDY-UHFFFAOYSA-N 0 0 280.368 3.490 20 10 CGCDRN CC/C(C)=C(/C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000780984722 628528206 /nfs/dbraw/zinc/52/82/06/628528206.db2.gz MVGIFHULVSCZID-NLYDNYMLSA-N 0 0 277.364 3.324 20 10 CGCDRN CCCN(Cc1ccccc1O)c1cc(CC)nc(C)n1 ZINC000782151172 628618347 /nfs/dbraw/zinc/61/83/47/628618347.db2.gz XYWKMOKYYZKPFY-UHFFFAOYSA-N 0 0 285.391 3.470 20 10 CGCDRN C[C@@H](Nc1ccc2c(c1)ncn2C)c1ccccc1O ZINC000783533063 628722778 /nfs/dbraw/zinc/72/27/78/628722778.db2.gz ZEKOOJNBFPYUNY-LLVKDONJSA-N 0 0 267.332 3.452 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCC2(O)CC2)cc1 ZINC000785654572 628877988 /nfs/dbraw/zinc/87/79/88/628877988.db2.gz OUJDUMLONWBVSF-UHFFFAOYSA-N 0 0 299.370 3.166 20 10 CGCDRN CCN(CCC(C)(C)OC)c1ccc(OC)cc1 ZINC000787258808 629005291 /nfs/dbraw/zinc/00/52/91/629005291.db2.gz CTQKGUDWAGOONK-UHFFFAOYSA-N 0 0 251.370 3.337 20 10 CGCDRN O=C(NCCCCCc1ccccc1)c1cccc(O)c1O ZINC000790635612 629221807 /nfs/dbraw/zinc/22/18/07/629221807.db2.gz JYCPHEREOLUEMQ-UHFFFAOYSA-N 0 0 299.370 3.241 20 10 CGCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790646567 629222743 /nfs/dbraw/zinc/22/27/43/629222743.db2.gz NOGBLMJIJXNVOA-NWDGAFQWSA-N 0 0 277.364 3.042 20 10 CGCDRN CCCCC[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000790892549 629239405 /nfs/dbraw/zinc/23/94/05/629239405.db2.gz BFNNNLOLGKWYBR-GFCCVEGCSA-N 0 0 277.364 3.283 20 10 CGCDRN CC1(C)CC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000790987623 629246763 /nfs/dbraw/zinc/24/67/63/629246763.db2.gz DNKZEFBUVAKVJW-VIFPVBQESA-N 0 0 287.762 3.232 20 10 CGCDRN CO[C@H]1CCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790988881 629246834 /nfs/dbraw/zinc/24/68/34/629246834.db2.gz FQRRWMPBVTVIRT-ZANVPECISA-N 0 0 287.762 3.089 20 10 CGCDRN CC(C)=CCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000790992375 629247530 /nfs/dbraw/zinc/24/75/30/629247530.db2.gz VFDTYGHAPNGINW-UHFFFAOYSA-N 0 0 284.743 3.400 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/C(C)(C)C)c1 ZINC000118785924 629321802 /nfs/dbraw/zinc/32/18/02/629321802.db2.gz SXDFENDLPMGSAB-ANYFNZRUSA-N 0 0 277.364 3.180 20 10 CGCDRN CN(C)c1cc(F)c(CN(C)Cc2ccncc2)cc1F ZINC000862324648 629343861 /nfs/dbraw/zinc/34/38/61/629343861.db2.gz QWQBCFDCKFAYTB-UHFFFAOYSA-N 0 0 291.345 3.058 20 10 CGCDRN Oc1c(Cl)cccc1Cn1cnc2c1CCCC2 ZINC000862431265 629370692 /nfs/dbraw/zinc/37/06/92/629370692.db2.gz LLQVDBBUUCJFGK-UHFFFAOYSA-N 0 0 262.740 3.169 20 10 CGCDRN CCc1cccc(CN2Cc3ccc(O)cc3C2)c1O ZINC000862451203 629381148 /nfs/dbraw/zinc/38/11/48/629381148.db2.gz KBLCZOABHAHRDX-UHFFFAOYSA-N 0 0 269.344 3.176 20 10 CGCDRN CCN(CC)c1ccc(CN2CC3(C2)CCCO3)cc1F ZINC000862484499 629386735 /nfs/dbraw/zinc/38/67/35/629386735.db2.gz RANAGEWKKBMXNP-UHFFFAOYSA-N 0 0 292.398 3.037 20 10 CGCDRN COc1ccc(CNC(=O)NCCCC(C)(C)C)c(O)c1 ZINC000792954283 629396939 /nfs/dbraw/zinc/39/69/39/629396939.db2.gz DZDYJGYLUKIDQZ-UHFFFAOYSA-N 0 0 294.395 3.026 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000862756919 629430053 /nfs/dbraw/zinc/43/00/53/629430053.db2.gz ASPYJTLFRWBOBF-CHWSQXEVSA-N 0 0 275.392 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CC(C)(C)C(F)(F)F)c1 ZINC000862756125 629430109 /nfs/dbraw/zinc/43/01/09/629430109.db2.gz QUPOQCNDVFYUHF-UHFFFAOYSA-N 0 0 289.297 3.295 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)c2cccs2)c1 ZINC000862759501 629430613 /nfs/dbraw/zinc/43/06/13/629430613.db2.gz DYNCNEDMWWGEIG-NSHDSACASA-N 0 0 275.373 3.182 20 10 CGCDRN C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(Br)c1[O-] ZINC000793227445 629431944 /nfs/dbraw/zinc/43/19/44/629431944.db2.gz CETCDOIAQTXDBD-DTORHVGOSA-N 0 0 270.170 3.137 20 10 CGCDRN Cc1coc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000793467818 629469877 /nfs/dbraw/zinc/46/98/77/629469877.db2.gz CAEKVBCNEOQUBC-LBPRGKRZSA-N 0 0 286.375 3.453 20 10 CGCDRN COc1ccc(CNC(=O)C[C@H]2CCCC[C@H]2C)c(O)c1 ZINC000794370133 629537750 /nfs/dbraw/zinc/53/77/50/629537750.db2.gz LYXVEVOHEZAVNL-CHWSQXEVSA-N 0 0 291.391 3.233 20 10 CGCDRN CC[C@H](CC(=O)NCc1ccc(OC)cc1O)C(C)C ZINC000794373807 629537822 /nfs/dbraw/zinc/53/78/22/629537822.db2.gz MGMTYTLNGMBWGV-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN COc1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2C)c(O)c1 ZINC000794370135 629537943 /nfs/dbraw/zinc/53/79/43/629537943.db2.gz LYXVEVOHEZAVNL-OLZOCXBDSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(CNC(=O)C[C@@H](C)CC(C)C)c(O)c1 ZINC000794383392 629538326 /nfs/dbraw/zinc/53/83/26/629538326.db2.gz LYOUYPFKHOQCKQ-LBPRGKRZSA-N 0 0 279.380 3.089 20 10 CGCDRN COc1ccc(CNC(=O)/C=C(\C)c2ccccc2)c(O)c1 ZINC000794383215 629538385 /nfs/dbraw/zinc/53/83/85/629538385.db2.gz JVCSXIZHPPJLME-JLHYYAGUSA-N 0 0 297.354 3.121 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H](C)c2cccc(C)c2)c(O)c1 ZINC000794381287 629538628 /nfs/dbraw/zinc/53/86/28/629538628.db2.gz NZPLHZFLPRPGQT-ZDUSSCGKSA-N 0 0 299.370 3.129 20 10 CGCDRN CN(Cc1nc(C(F)(F)F)cs1)c1ccc(N)cc1 ZINC000863558522 629606319 /nfs/dbraw/zinc/60/63/19/629606319.db2.gz MGGWWLJVJVUHOR-UHFFFAOYSA-N 0 0 287.310 3.381 20 10 CGCDRN CCO[C@H](C)c1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000863558702 629606447 /nfs/dbraw/zinc/60/64/47/629606447.db2.gz UFAAFURRZNWCGZ-LLVKDONJSA-N 0 0 291.420 3.459 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC000795103706 629632166 /nfs/dbraw/zinc/63/21/66/629632166.db2.gz GDOJAMINZWNZRK-LBPRGKRZSA-N 0 0 296.361 3.113 20 10 CGCDRN CCOc1ccc(CNc2cn(C)nc2C(C)C)c(O)c1 ZINC000795595443 629701120 /nfs/dbraw/zinc/70/11/20/629701120.db2.gz SOEAVBZKRORMHI-UHFFFAOYSA-N 0 0 289.379 3.260 20 10 CGCDRN CC[C@H](C)CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000795830494 629719442 /nfs/dbraw/zinc/71/94/42/629719442.db2.gz VDHJHKJTLQBJAB-LBPRGKRZSA-N 0 0 280.387 3.334 20 10 CGCDRN O=[N+]([O-])c1ccccc1NCc1ccc2cccnc2c1O ZINC000864019622 629729581 /nfs/dbraw/zinc/72/95/81/629729581.db2.gz JZTUDKWHWAXKAQ-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(-n3nccn3)c2)c1 ZINC000864024517 629731033 /nfs/dbraw/zinc/73/10/33/629731033.db2.gz ZEHRCDLZGZAWLU-CYBMUJFWSA-N 0 0 294.358 3.454 20 10 CGCDRN Cc1cc(O)c(CN2CC(C(F)(F)F)C2)c(Cl)c1 ZINC000864049493 629741192 /nfs/dbraw/zinc/74/11/92/629741192.db2.gz UEVPNPBAKAUGRV-UHFFFAOYSA-N 0 0 279.689 3.348 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCCCC1)c1ccc(F)cc1[O-] ZINC000796683719 629814372 /nfs/dbraw/zinc/81/43/72/629814372.db2.gz PMTFPSIZMBJKHD-HNNXBMFYSA-N 0 0 280.387 3.058 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000796703400 629817807 /nfs/dbraw/zinc/81/78/07/629817807.db2.gz UINOOERPLQRXSF-BBRMVZONSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(F)cc1[O-] ZINC000796793264 629836403 /nfs/dbraw/zinc/83/64/03/629836403.db2.gz REDXWLCEPZTOLT-HIFRSBDPSA-N 0 0 267.344 3.141 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(F)cc1[O-] ZINC000796945349 629863563 /nfs/dbraw/zinc/86/35/63/629863563.db2.gz PMFNPCCVXLYELL-KGLIPLIRSA-N 0 0 295.379 3.367 20 10 CGCDRN CC[C@H](NC1(C(F)F)CC1)c1ccc(F)cc1O ZINC000796988029 629869162 /nfs/dbraw/zinc/86/91/62/629869162.db2.gz GGAJVXBGXUNSKY-JTQLQIEISA-N 0 0 259.271 3.370 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000797905866 630000903 /nfs/dbraw/zinc/00/09/03/630000903.db2.gz RDFPXZDGXCRKKG-DGCLKSJQSA-N 0 0 296.208 3.433 20 10 CGCDRN C[C@@H](NC(=S)N[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000865269184 630041772 /nfs/dbraw/zinc/04/17/72/630041772.db2.gz CJQPTXLSTJQSFO-BZPMIXESSA-N 0 0 292.448 3.496 20 10 CGCDRN Cc1cc(NCc2cc(F)c(N(C)C)cc2F)nnc1C ZINC000865291809 630056078 /nfs/dbraw/zinc/05/60/78/630056078.db2.gz SSUUABXSRNPRBI-UHFFFAOYSA-N 0 0 292.333 3.050 20 10 CGCDRN CCc1oc(C(=O)N(C)Cc2ccccc2O)cc1C ZINC000121463053 634791093 /nfs/dbraw/zinc/79/10/93/634791093.db2.gz WKHPJSSABRWHBP-UHFFFAOYSA-N 0 0 273.332 3.128 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=CC[C@@H](C)CC1 ZINC000836703382 634793812 /nfs/dbraw/zinc/79/38/12/634793812.db2.gz FYSCTIMEAFENEX-CYBMUJFWSA-N 0 0 286.419 3.424 20 10 CGCDRN CCn1cc(/C=C2/c3cc(Cl)ccc3N(C)C2=O)cn1 ZINC000799501403 630193146 /nfs/dbraw/zinc/19/31/46/630193146.db2.gz BRWHMEWWQJTOLF-MLPAPPSSSA-N 0 0 287.750 3.073 20 10 CGCDRN CN(C)c1ccc(CN2CCCC[C@H]2C(F)F)cc1 ZINC000800445014 630280133 /nfs/dbraw/zinc/28/01/33/630280133.db2.gz MXDXTANZUKKFRV-AWEZNQCLSA-N 0 0 268.351 3.372 20 10 CGCDRN COCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000800492083 630288039 /nfs/dbraw/zinc/28/80/39/630288039.db2.gz BKMMDGMMQIUJJW-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN CCc1csc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000865667972 630288057 /nfs/dbraw/zinc/28/80/57/630288057.db2.gz ZQHNZTLQDHYNAS-SECBINFHSA-N 0 0 278.377 3.160 20 10 CGCDRN CCOc1ccc(CN2CCCC[C@@H]2C(F)F)c(O)c1 ZINC000800533121 630291747 /nfs/dbraw/zinc/29/17/47/630291747.db2.gz HMLZKWSZKFOKMC-CYBMUJFWSA-N 0 0 285.334 3.411 20 10 CGCDRN Cc1cc(Cl)cc([C@H](C)NCc2ccon2)c1O ZINC000808700607 630295814 /nfs/dbraw/zinc/29/58/14/630295814.db2.gz NLRMJYDXQUKNOV-VIFPVBQESA-N 0 0 266.728 3.193 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](F)C(C)C ZINC000839920440 630296787 /nfs/dbraw/zinc/29/67/87/630296787.db2.gz AGVQGIXIKXMMAB-CJNGLKHVSA-N 0 0 294.414 3.102 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC000839921430 630297423 /nfs/dbraw/zinc/29/74/23/630297423.db2.gz ZGMJSQOBDKZHLZ-CJNGLKHVSA-N 0 0 288.435 3.154 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1nccc(C)n1 ZINC000800887686 630309252 /nfs/dbraw/zinc/30/92/52/630309252.db2.gz YNVWVYXMLNAKFU-UHFFFAOYSA-N 0 0 271.364 3.297 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2cc(F)ccc21 ZINC000802657476 630403078 /nfs/dbraw/zinc/40/30/78/630403078.db2.gz FZKWEGFJUPOLNF-UHFFFAOYSA-N 0 0 261.271 3.233 20 10 CGCDRN Cc1cc2c(cc1C)N(C(=O)/C=C\c1cncc(F)c1)CC2 ZINC000804320430 630519477 /nfs/dbraw/zinc/51/94/77/630519477.db2.gz PVODHMZDQAHTQZ-ARJAWSKDSA-N 0 0 296.345 3.440 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ncc(SC)cn2)c1 ZINC000804431019 630526879 /nfs/dbraw/zinc/52/68/79/630526879.db2.gz IJGJOWUQGBLAKI-VIFPVBQESA-N 0 0 291.376 3.086 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806133410 630546316 /nfs/dbraw/zinc/54/63/16/630546316.db2.gz MOZYOJUBWSNSCL-SMDDNHRTSA-N 0 0 282.815 3.181 20 10 CGCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCCC2(F)F)c1 ZINC000806179803 630553518 /nfs/dbraw/zinc/55/35/18/630553518.db2.gz HRIXJNNGMTVIAW-RNCFNFMXSA-N 0 0 299.317 3.017 20 10 CGCDRN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1O ZINC000807886462 630604642 /nfs/dbraw/zinc/60/46/42/630604642.db2.gz RRIZWVLGZLTNAT-RYUDHWBXSA-N 0 0 291.391 3.385 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)oc1C ZINC000808093868 630621790 /nfs/dbraw/zinc/62/17/90/630621790.db2.gz XBTAOLBIFUPINF-UHFFFAOYSA-N 0 0 294.347 3.018 20 10 CGCDRN CCOc1ccc(CNC2(C(F)F)CCCC2)c(O)c1 ZINC000808451409 630646330 /nfs/dbraw/zinc/64/63/30/630646330.db2.gz OBQWUJALKBIPRV-UHFFFAOYSA-N 0 0 285.334 3.458 20 10 CGCDRN C[C@H](NC(=O)c1ocnc1C1CC1)c1ccc(N(C)C)cc1 ZINC000808747668 630674262 /nfs/dbraw/zinc/67/42/62/630674262.db2.gz UELIORSFUFKKNX-NSHDSACASA-N 0 0 299.374 3.109 20 10 CGCDRN C[C@H](O)c1cc(NCc2cc(F)ccc2O)ccc1F ZINC000809715841 630790036 /nfs/dbraw/zinc/79/00/36/630790036.db2.gz HGEJNJDIUFZUDU-VIFPVBQESA-N 0 0 279.286 3.336 20 10 CGCDRN CC(=O)N1CCCN(Cc2ccccc2O)c2ccccc21 ZINC000809786320 630808263 /nfs/dbraw/zinc/80/82/63/630808263.db2.gz XOVGXBBXKDENJB-UHFFFAOYSA-N 0 0 296.370 3.155 20 10 CGCDRN Cc1ccc2c(c1)/C(=C\c1cccnc1C)C(=O)N2C ZINC000811701058 631112362 /nfs/dbraw/zinc/11/23/62/631112362.db2.gz RWUKHZBYRCMCLY-XNTDXEJSSA-N 0 0 264.328 3.215 20 10 CGCDRN COc1ccc(O)c(CNc2ccc3c(C)nn(C)c3c2)c1 ZINC000812773351 631305993 /nfs/dbraw/zinc/30/59/93/631305993.db2.gz DACYEYOWXJIYIN-UHFFFAOYSA-N 0 0 297.358 3.208 20 10 CGCDRN Cc1cc(Cl)cnc1NCc1cc2c(cc1O)OCO2 ZINC000812784939 631308506 /nfs/dbraw/zinc/30/85/06/631308506.db2.gz OUZSTCKMYAEMJJ-UHFFFAOYSA-N 0 0 292.722 3.090 20 10 CGCDRN Cc1ccc(CNc2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000876520401 634849674 /nfs/dbraw/zinc/84/96/74/634849674.db2.gz KOPAPEWZYQBRAO-UHFFFAOYSA-N 0 0 296.370 3.440 20 10 CGCDRN CCC1(C)CN(C(=O)NCCCSc2nccs2)C1 ZINC000813097972 631353932 /nfs/dbraw/zinc/35/39/32/631353932.db2.gz DYEXBBOTCAEAHW-UHFFFAOYSA-N 0 0 299.465 3.067 20 10 CGCDRN CNC(=O)Oc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000813791561 631461935 /nfs/dbraw/zinc/46/19/35/631461935.db2.gz LDUWOCPEXAKFOU-UHFFFAOYSA-N 0 0 299.374 3.083 20 10 CGCDRN CC(C)[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815587005 631801772 /nfs/dbraw/zinc/80/17/72/631801772.db2.gz WXOKBRNXWFCLPG-BXKDBHETSA-N 0 0 291.313 3.079 20 10 CGCDRN C[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815627886 631808584 /nfs/dbraw/zinc/80/85/84/631808584.db2.gz MCJLJHQQYIUOBH-SECBINFHSA-N 0 0 299.296 3.027 20 10 CGCDRN C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCCO1 ZINC000816484755 631989100 /nfs/dbraw/zinc/98/91/00/631989100.db2.gz NNHJOPPEKWTQAW-HNNXBMFYSA-N 0 0 271.360 3.156 20 10 CGCDRN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816519990 632001688 /nfs/dbraw/zinc/00/16/88/632001688.db2.gz CBKIAPARQRZDEF-DTWKUNHWSA-N 0 0 257.736 3.415 20 10 CGCDRN Oc1c(C[N@@H+]2CC[C@H](OC(F)F)C2)ccc2ccccc21 ZINC000816600988 632021372 /nfs/dbraw/zinc/02/13/72/632021372.db2.gz NSPCOPKQTPNTOE-ZDUSSCGKSA-N 0 0 293.313 3.359 20 10 CGCDRN Cc1ccoc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816617281 632025255 /nfs/dbraw/zinc/02/52/55/632025255.db2.gz TZBADTZBWFDTNE-UHFFFAOYSA-N 0 0 269.703 3.376 20 10 CGCDRN C=C=CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000816698237 632043113 /nfs/dbraw/zinc/04/31/13/632043113.db2.gz LLZNTQFYWDVFML-UHFFFAOYSA-N 0 0 280.371 3.473 20 10 CGCDRN CNc1ccc(Cl)c(C(=O)NCc2ccccc2O)c1 ZINC000816912222 632060974 /nfs/dbraw/zinc/06/09/74/632060974.db2.gz PDYUBCJAYHWALZ-UHFFFAOYSA-N 0 0 290.750 3.017 20 10 CGCDRN Cn1cc(Cl)c(COc2ccc(N3CCCC3)cc2)n1 ZINC000817378935 632134303 /nfs/dbraw/zinc/13/43/03/632134303.db2.gz QGSUZNBAQNVWAB-UHFFFAOYSA-N 0 0 291.782 3.253 20 10 CGCDRN C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(Cl)cc1[O-] ZINC000817585831 632192049 /nfs/dbraw/zinc/19/20/49/632192049.db2.gz IVEATJXIVXLPCU-NSHDSACASA-N 0 0 283.799 3.391 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CC2 ZINC000817602491 632193592 /nfs/dbraw/zinc/19/35/92/632193592.db2.gz ZVSJJKMOXCQKMA-AWEZNQCLSA-N 0 0 273.376 3.321 20 10 CGCDRN C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000817957286 632252354 /nfs/dbraw/zinc/25/23/54/632252354.db2.gz AGQKNNYCUYVHHG-BONVTDFDSA-N 0 0 298.377 3.229 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000817958082 632253877 /nfs/dbraw/zinc/25/38/77/632253877.db2.gz HHEUCQRVZVJVKS-CVEARBPZSA-N 0 0 294.414 3.480 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000818355486 632312810 /nfs/dbraw/zinc/31/28/10/632312810.db2.gz GXEBGISFPSGZJA-NZVBXONLSA-N 0 0 289.375 3.018 20 10 CGCDRN Cc1ccc(C[C@@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000818544958 632331808 /nfs/dbraw/zinc/33/18/08/632331808.db2.gz XPPGSWPDPVLCJV-OAHLLOKOSA-N 0 0 296.414 3.115 20 10 CGCDRN Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(N)cc1 ZINC000818556346 632333731 /nfs/dbraw/zinc/33/37/31/632333731.db2.gz NHMCYYNNTQDIRM-UHFFFAOYSA-N 0 0 273.336 3.016 20 10 CGCDRN CCC(CC)n1ccc(C(=O)Nc2ccc(N)cc2)n1 ZINC000818556207 632333968 /nfs/dbraw/zinc/33/39/68/632333968.db2.gz AJFDMYCUXVITJB-UHFFFAOYSA-N 0 0 272.352 3.079 20 10 CGCDRN O=[N+]([O-])c1cncc(Cl)c1Sc1nccs1 ZINC000820633825 632657414 /nfs/dbraw/zinc/65/74/14/632657414.db2.gz JDPQFCRGWVVQFQ-UHFFFAOYSA-N 0 0 273.726 3.251 20 10 CGCDRN CC1(C)CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820656123 632661400 /nfs/dbraw/zinc/66/14/00/632661400.db2.gz QPNCZCPGRFRBHQ-LBPRGKRZSA-N 0 0 288.351 3.158 20 10 CGCDRN CCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000821336361 632753682 /nfs/dbraw/zinc/75/36/82/632753682.db2.gz YVARYRXXZOHTFG-UHFFFAOYSA-N 0 0 270.376 3.115 20 10 CGCDRN COc1ccc(CNc2cc(CC(C)C)ncn2)c(O)c1 ZINC000865749990 632877092 /nfs/dbraw/zinc/87/70/92/632877092.db2.gz KBPYZCRXJOEZAI-UHFFFAOYSA-N 0 0 287.363 3.001 20 10 CGCDRN C/C(=C/C(=O)N1CCCc2cc(C)ccc21)c1cnccn1 ZINC000824227027 633213994 /nfs/dbraw/zinc/21/39/94/633213994.db2.gz LOVZHYAYMJBESA-KAMYIIQDSA-N 0 0 293.370 3.168 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(F)cc1[O-] ZINC000866632669 633221368 /nfs/dbraw/zinc/22/13/68/633221368.db2.gz AYWAVRXITZSEOW-ZIAGYGMSSA-N 0 0 289.354 3.304 20 10 CGCDRN CC[C@H](C)N(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824362017 633235692 /nfs/dbraw/zinc/23/56/92/633235692.db2.gz WOBJALNLBUQNFM-JTQLQIEISA-N 0 0 276.340 3.110 20 10 CGCDRN Cc1cc(CN(C)Cc2cc(Cl)c(C)cc2O)no1 ZINC000824581791 633262293 /nfs/dbraw/zinc/26/22/93/633262293.db2.gz TXCVIUROSULGEX-UHFFFAOYSA-N 0 0 280.755 3.282 20 10 CGCDRN CC(C)CCOC(=O)N[C@@H](C)c1ccccc1O ZINC000867836115 633271319 /nfs/dbraw/zinc/27/13/19/633271319.db2.gz GLAOOMBUFHFQRF-NSHDSACASA-N 0 0 251.326 3.226 20 10 CGCDRN COc1ccc(N(C)Cc2noc(C3CC3)n2)cc1Cl ZINC000121864969 633271486 /nfs/dbraw/zinc/27/14/86/633271486.db2.gz YOBDUAXERIMFGH-UHFFFAOYSA-N 0 0 293.754 3.245 20 10 CGCDRN C[C@@H](NS(=O)(=O)CCCC(C)(C)C)c1ccccc1O ZINC000867834495 633271666 /nfs/dbraw/zinc/27/16/66/633271666.db2.gz JXZCTNWDAMQOQD-GFCCVEGCSA-N 0 0 299.436 3.199 20 10 CGCDRN CC[C@@](C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000824744043 633281702 /nfs/dbraw/zinc/28/17/02/633281702.db2.gz XKOVOISMTYCDMX-ZDUSSCGKSA-N 0 0 275.751 3.089 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2c2ccccn2)ccc(F)c1F ZINC000876585432 634862068 /nfs/dbraw/zinc/86/20/68/634862068.db2.gz LJLLUYXXIYCTCA-CQSZACIVSA-N 0 0 290.313 3.403 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000824914639 633304747 /nfs/dbraw/zinc/30/47/47/633304747.db2.gz WOYMZXJLMHNQER-CYBMUJFWSA-N 0 0 283.824 3.373 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C1CCCC1 ZINC000868254361 633308355 /nfs/dbraw/zinc/30/83/55/633308355.db2.gz XCGYURHBSSVDDB-NEPJUHHUSA-N 0 0 276.380 3.331 20 10 CGCDRN CO[C@@H]([C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000825098443 633328817 /nfs/dbraw/zinc/32/88/17/633328817.db2.gz IRBIRFOBFCIKAM-RTHLEPHNSA-N 0 0 287.762 3.088 20 10 CGCDRN C/C(=C/C(=O)N1CC[C@@H](C)c2ccccc21)c1cnccn1 ZINC000825311249 633343881 /nfs/dbraw/zinc/34/38/81/633343881.db2.gz HRFYGMAIHMIAHD-KECPUOCWSA-N 0 0 293.370 3.420 20 10 CGCDRN CCC[C@@H](CC(C)C)C(=O)NCc1cccc(OC)c1O ZINC000825703243 633375680 /nfs/dbraw/zinc/37/56/80/633375680.db2.gz OFEXLVFWPNEXSJ-ZDUSSCGKSA-N 0 0 293.407 3.479 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C2CCC2)c1 ZINC000825737110 633379454 /nfs/dbraw/zinc/37/94/54/633379454.db2.gz SIIVJOQURWVIOF-NSHDSACASA-N 0 0 291.391 3.404 20 10 CGCDRN CCCCN(C(=O)C1=CC(=O)CS1)[C@@H](C)CC ZINC000826882028 633440682 /nfs/dbraw/zinc/44/06/82/633440682.db2.gz HAELZFIHYLEENV-JTQLQIEISA-N 0 0 255.383 3.495 20 10 CGCDRN C[C@@H]1CCC[C@]1(C)C(=O)N(C)Cc1ccccc1O ZINC000827080971 633455130 /nfs/dbraw/zinc/45/51/30/633455130.db2.gz AAPGIWPIGXZCJK-WBMJQRKESA-N 0 0 261.365 3.177 20 10 CGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1O ZINC000827151764 633465361 /nfs/dbraw/zinc/46/53/61/633465361.db2.gz JHKJYJCBXXYRPQ-INIZCTEOSA-N 0 0 295.810 3.091 20 10 CGCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000827252119 633476022 /nfs/dbraw/zinc/47/60/22/633476022.db2.gz XDSREUHMVYGNAD-KOLCDFICSA-N 0 0 287.762 3.232 20 10 CGCDRN CC(C(=O)NCc1c(O)ccc2c1CCCC2)=C1CCC1 ZINC000827323625 633481718 /nfs/dbraw/zinc/48/17/18/633481718.db2.gz NZSNMTHGTZSXJW-UHFFFAOYSA-N 0 0 285.387 3.388 20 10 CGCDRN C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827352740 633484878 /nfs/dbraw/zinc/48/48/78/633484878.db2.gz OJEJHQYOYUBPOD-ZDUSSCGKSA-N 0 0 296.842 3.256 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506245 633495236 /nfs/dbraw/zinc/49/52/36/633495236.db2.gz FKGIWYLDKGIQRW-RKDXNWHRSA-N 0 0 255.720 3.027 20 10 CGCDRN Cn1cnc(/C=C/C(=O)N(CC2CC2)c2cccc(F)c2)c1 ZINC000827818909 633521795 /nfs/dbraw/zinc/52/17/95/633521795.db2.gz JKUPHAHNTCYXOC-BQYQJAHWSA-N 0 0 299.349 3.016 20 10 CGCDRN C[C@@H](NC(=O)C1CCC=CCC1)c1ccccc1O ZINC000827916446 633534417 /nfs/dbraw/zinc/53/44/17/633534417.db2.gz IFGHFPHFEQXEIH-GFCCVEGCSA-N 0 0 259.349 3.316 20 10 CGCDRN Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827931120 633535727 /nfs/dbraw/zinc/53/57/27/633535727.db2.gz YXQPWVMERYWOFT-CQSZACIVSA-N 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/nfs/dbraw/zinc/55/52/08/633555208.db2.gz IHFFWVYIRGDELH-UHFFFAOYSA-N 0 0 293.754 3.019 20 10 CGCDRN Cc1ccccc1[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000828328729 633605769 /nfs/dbraw/zinc/60/57/69/633605769.db2.gz ZVIUXZUXFNGXNQ-ZDUSSCGKSA-N 0 0 281.355 3.347 20 10 CGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000881428659 636108151 /nfs/dbraw/zinc/10/81/51/636108151.db2.gz ITPIRQWNULMESO-SUMWQHHRSA-N 0 0 273.376 3.451 20 10 CGCDRN CCc1sc(C(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000871198642 633722403 /nfs/dbraw/zinc/72/24/03/633722403.db2.gz LQHLLJITIUXDJT-UHFFFAOYSA-N 0 0 287.384 3.481 20 10 CGCDRN CC(C(=O)N1Cc2cccc(O)c2C1)=C1CCCC1 ZINC000871202567 633723494 /nfs/dbraw/zinc/72/34/94/633723494.db2.gz AUHDDFGTBWPEBT-UHFFFAOYSA-N 0 0 257.333 3.125 20 10 CGCDRN O=C(C[C@@H]1CCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871202361 633723556 /nfs/dbraw/zinc/72/35/56/633723556.db2.gz FPDASOASNNKMFU-AWEZNQCLSA-N 0 0 293.366 3.355 20 10 CGCDRN O=C(/C=C\C1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871203047 633723863 /nfs/dbraw/zinc/72/38/63/633723863.db2.gz QQWBYNSRNUBEOX-KTKRTIGZSA-N 0 0 271.360 3.371 20 10 CGCDRN C[C@@H](Cc1ccc(F)cc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871200564 633723871 /nfs/dbraw/zinc/72/38/71/633723871.db2.gz GOFBPOSHWWYIBD-LBPRGKRZSA-N 0 0 299.345 3.252 20 10 CGCDRN CC(C)(C)C(=O)CCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871204994 633725218 /nfs/dbraw/zinc/72/52/18/633725218.db2.gz OBKGETHJUAQZKS-UHFFFAOYSA-N 0 0 289.375 3.020 20 10 CGCDRN CC1(C)CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205257 633725469 /nfs/dbraw/zinc/72/54/69/633725469.db2.gz XRHLCZHOPJHFRR-AWEZNQCLSA-N 0 0 273.376 3.451 20 10 CGCDRN O=C(N1Cc2cccc(O)c2C1)C1(C2CCC2)CCC1 ZINC000871206044 633725711 /nfs/dbraw/zinc/72/57/11/633725711.db2.gz PKKAHNXMNWTGGV-UHFFFAOYSA-N 0 0 271.360 3.205 20 10 CGCDRN CCc1nc(C)c(CSc2ncc(C(=O)OC)s2)o1 ZINC000829677654 633764555 /nfs/dbraw/zinc/76/45/55/633764555.db2.gz GVMWEHSZZBYLBX-UHFFFAOYSA-N 0 0 298.389 3.081 20 10 CGCDRN Cc1ccoc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830559711 633870740 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/nfs/dbraw/zinc/05/84/69/634058469.db2.gz BJFIQDYHBSYAHI-ZDUSSCGKSA-N 0 0 259.353 3.480 20 10 CGCDRN C[C@H](NC(=O)C1CC2(CC2)C1)c1ccc(N(C)C)cc1 ZINC000832431198 634059073 /nfs/dbraw/zinc/05/90/73/634059073.db2.gz LCDJXPDUBSZSAE-LBPRGKRZSA-N 0 0 272.392 3.120 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCCc2cccnc21 ZINC000872289203 634103066 /nfs/dbraw/zinc/10/30/66/634103066.db2.gz YSEWSNBKUZPEBT-OWBHPGMISA-N 0 0 293.370 3.249 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC12CCC2 ZINC000872842841 634215960 /nfs/dbraw/zinc/21/59/60/634215960.db2.gz BVLSSWLBGRXESG-INIZCTEOSA-N 0 0 299.418 3.029 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CC12CCC2)c1ccc(N(C)C)cc1 ZINC000872976637 634226680 /nfs/dbraw/zinc/22/66/80/634226680.db2.gz GVHIEVMKVQBXPT-WFASDCNBSA-N 0 0 287.407 3.055 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1cccc3c1OCO3)CC2 ZINC000834759473 634237210 /nfs/dbraw/zinc/23/72/10/634237210.db2.gz CSBYVHANNKFELL-NSHDSACASA-N 0 0 269.300 3.220 20 10 CGCDRN CCCOc1ccc(CNCc2ccon2)cc1C ZINC000873069842 634241756 /nfs/dbraw/zinc/24/17/56/634241756.db2.gz OJYHLPXYGREGRX-UHFFFAOYSA-N 0 0 260.337 3.062 20 10 CGCDRN C[C@@H](NC(=O)NCCC[C@H]1C=CCC1)c1ccccc1O ZINC000873137836 634256266 /nfs/dbraw/zinc/25/62/66/634256266.db2.gz ISSQDMRPYIHBIG-KGLIPLIRSA-N 0 0 288.391 3.499 20 10 CGCDRN Cc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873184415 634273215 /nfs/dbraw/zinc/27/32/15/634273215.db2.gz PMESDVDWQJDSPI-GFCCVEGCSA-N 0 0 286.331 3.460 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCc2ccc(C)nc21 ZINC000876487307 634844586 /nfs/dbraw/zinc/84/45/86/634844586.db2.gz DMJYKAPAHRNBHI-QBFSEMIESA-N 0 0 293.370 3.168 20 10 CGCDRN Cc1occc1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876635200 634872059 /nfs/dbraw/zinc/87/20/59/634872059.db2.gz OUPFTAVUKNLUGU-UHFFFAOYSA-N 0 0 267.275 3.204 20 10 CGCDRN C[C@@H]1CCCC[C@@]1(C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000837251516 634877657 /nfs/dbraw/zinc/87/76/57/634877657.db2.gz AKQGWMTZZUNHEU-ZFFVLURUSA-N 0 0 289.375 3.196 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)COC(C)(C)CC ZINC000837468817 634915147 /nfs/dbraw/zinc/91/51/47/634915147.db2.gz UQPBTDHWLYTLJV-UHFFFAOYSA-N 0 0 293.407 3.336 20 10 CGCDRN CSc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000126204601 634918652 /nfs/dbraw/zinc/91/86/52/634918652.db2.gz HXVTWBIUUBBDKQ-UHFFFAOYSA-N 0 0 275.329 3.072 20 10 CGCDRN CC(C)c1ccccc1NC(=O)c1cccc(O)c1O ZINC000126205278 634919257 /nfs/dbraw/zinc/91/92/57/634919257.db2.gz QSYWYVIOKKTMBH-UHFFFAOYSA-N 0 0 271.316 3.474 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)oc1C ZINC000126229039 634923371 /nfs/dbraw/zinc/92/33/71/634923371.db2.gz SZOCEMCTBWRCNH-UHFFFAOYSA-N 0 0 286.375 3.201 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000126313023 634959685 /nfs/dbraw/zinc/95/96/85/634959685.db2.gz QSWLYOWOSKVGMC-SECBINFHSA-N 0 0 291.734 3.242 20 10 CGCDRN Cc1nc(C(C)C)ccc1C(=O)N(C)c1ccc(N)cc1 ZINC000877074705 634972851 /nfs/dbraw/zinc/97/28/51/634972851.db2.gz QIKJUJVYHUBAJZ-UHFFFAOYSA-N 0 0 283.375 3.372 20 10 CGCDRN CN(C(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccc(N)cc1 ZINC000877077319 634974722 /nfs/dbraw/zinc/97/47/22/634974722.db2.gz CQCDBKHXLHVGEJ-HKUYNNGSSA-N 0 0 292.382 3.136 20 10 CGCDRN CN(C(=O)C1(c2ccccc2)CCC1)c1ccc(N)cc1 ZINC000877080079 634976703 /nfs/dbraw/zinc/97/67/03/634976703.db2.gz FXFUKMNWVHKFKC-UHFFFAOYSA-N 0 0 280.371 3.354 20 10 CGCDRN CC(C)=C[C@H]1[C@@H](C(=O)N(C)c2ccc(N)cc2)C1(C)C ZINC000877080440 634977152 /nfs/dbraw/zinc/97/71/52/634977152.db2.gz IWOLDIVTYMEURK-GJZGRUSLSA-N 0 0 272.392 3.470 20 10 CGCDRN CN(C)c1ccccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877149738 635001945 /nfs/dbraw/zinc/00/19/45/635001945.db2.gz RIPFLCXIUWMWIO-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN CN(Cc1nc(Cl)cs1)c1ccc2c(c1)OCO2 ZINC000877179435 635008441 /nfs/dbraw/zinc/00/84/41/635008441.db2.gz ALKWHBPDUXNQPR-UHFFFAOYSA-N 0 0 282.752 3.162 20 10 CGCDRN Cc1ccc(CNc2ccccc2C[S@@](C)=O)c(O)c1 ZINC000877362774 635030737 /nfs/dbraw/zinc/03/07/37/635030737.db2.gz IPQIFHPBDWANAQ-HXUWFJFHSA-N 0 0 289.400 3.191 20 10 CGCDRN CO[C@](C)([C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000840960700 635094072 /nfs/dbraw/zinc/09/40/72/635094072.db2.gz LRYBDMPDWWTMMU-MEBBXXQBSA-N 0 0 283.799 3.339 20 10 CGCDRN Cc1cc(O)c(CNc2cccc3c2CN(C)C3=O)cc1C ZINC000840958874 635094309 /nfs/dbraw/zinc/09/43/09/635094309.db2.gz WGEWYNVPVBRCPZ-UHFFFAOYSA-N 0 0 296.370 3.207 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@H](c3cccnc3)C2)ccc(F)c1F ZINC000877605133 635108644 /nfs/dbraw/zinc/10/86/44/635108644.db2.gz VFJFTJQSURFAEG-LBPRGKRZSA-N 0 0 290.313 3.055 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCCO1 ZINC000877618814 635116187 /nfs/dbraw/zinc/11/61/87/635116187.db2.gz GIPQGTQHNXTEAP-OLZOCXBDSA-N 0 0 285.334 3.108 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCc3ccc(O)cc32)ccc(F)c1F ZINC000877632338 635122752 /nfs/dbraw/zinc/12/27/52/635122752.db2.gz WGVFJTIISROJKY-CQSZACIVSA-N 0 0 291.297 3.153 20 10 CGCDRN C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(N)cc1 ZINC000841297904 635149500 /nfs/dbraw/zinc/14/95/00/635149500.db2.gz JZWQYLHYKPIBBH-QWRGUYRKSA-N 0 0 261.369 3.215 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877739387 635172610 /nfs/dbraw/zinc/17/26/10/635172610.db2.gz SBEOAAUJJGPGMU-RYUDHWBXSA-N 0 0 283.824 3.231 20 10 CGCDRN O=C(NCc1ccccc1O)C1(C(F)(F)F)CCCC1 ZINC000841404939 635173334 /nfs/dbraw/zinc/17/33/34/635173334.db2.gz NHTMIUSUCLNEEK-UHFFFAOYSA-N 0 0 287.281 3.131 20 10 CGCDRN CN(C(=O)c1cccc(O)c1O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841454198 635177539 /nfs/dbraw/zinc/17/75/39/635177539.db2.gz VOKCKCRRQRCZNY-OLZOCXBDSA-N 0 0 291.391 3.385 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000877778463 635200806 /nfs/dbraw/zinc/20/08/06/635200806.db2.gz NKZHIABKKZLHRT-AWEZNQCLSA-N 0 0 283.799 3.076 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(Cl)cc1[O-] ZINC000841743844 635222548 /nfs/dbraw/zinc/22/25/48/635222548.db2.gz CIEUGSLXFWZFAH-NILFDRSVSA-N 0 0 294.826 3.323 20 10 CGCDRN CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747401 635223978 /nfs/dbraw/zinc/22/39/78/635223978.db2.gz ASOJBCWYMCYUQT-PWSUYJOCSA-N 0 0 271.788 3.247 20 10 CGCDRN CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758269 635230922 /nfs/dbraw/zinc/23/09/22/635230922.db2.gz KXTZSAMLIQZVJM-MNOVXSKESA-N 0 0 271.788 3.105 20 10 CGCDRN CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758273 635231179 /nfs/dbraw/zinc/23/11/79/635231179.db2.gz KXTZSAMLIQZVJM-WDEREUQCSA-N 0 0 271.788 3.105 20 10 CGCDRN CC1CCC(N(C)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841963145 635252634 /nfs/dbraw/zinc/25/26/34/635252634.db2.gz XNYPYWPRJRXVGQ-UHFFFAOYSA-N 0 0 289.423 3.031 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000877977007 635301896 /nfs/dbraw/zinc/30/18/96/635301896.db2.gz UQSPVDTZVVPNDA-RDJZCZTQSA-N 0 0 286.419 3.147 20 10 CGCDRN CN(Cc1scnc1Cl)Cc1ccccc1O ZINC000878242130 635428452 /nfs/dbraw/zinc/42/84/52/635428452.db2.gz NCUCCCGAVPGORQ-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842778567 635469512 /nfs/dbraw/zinc/46/95/12/635469512.db2.gz GYYVCTHWJNRVAX-XVKPBYJWSA-N 0 0 275.776 3.168 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000842926967 635513207 /nfs/dbraw/zinc/51/32/07/635513207.db2.gz BODCYFVGVOBWQG-UBJUHAIHSA-N 0 0 273.348 3.215 20 10 CGCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)C(C)C ZINC000127135267 635520153 /nfs/dbraw/zinc/52/01/53/635520153.db2.gz IMEJWTMQWWEQII-CQSZACIVSA-N 0 0 291.439 3.329 20 10 CGCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H]1C ZINC000878565647 635557758 /nfs/dbraw/zinc/55/77/58/635557758.db2.gz NFTFLMNOUUXWSQ-HUUCEWRRSA-N 0 0 277.408 3.419 20 10 CGCDRN C[C@H]1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158494 635587748 /nfs/dbraw/zinc/58/77/48/635587748.db2.gz DQUAKJPKALTBOF-CMPLNLGQSA-N 0 0 257.337 3.146 20 10 CGCDRN COC(=O)[C@H](CC(C)(C)C)NCc1cc(Cl)ccc1O ZINC000843424224 635668314 /nfs/dbraw/zinc/66/83/14/635668314.db2.gz WGFWQKKYBABLGY-LBPRGKRZSA-N 0 0 299.798 3.113 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2(C(F)F)CC2)cc1 ZINC000843532782 635692367 /nfs/dbraw/zinc/69/23/67/635692367.db2.gz MNWKMFMFFJPUIF-UHFFFAOYSA-N 0 0 296.361 3.194 20 10 CGCDRN O=C(/C=C/C1CCCC1)NCCCSc1nccs1 ZINC000843795965 635781237 /nfs/dbraw/zinc/78/12/37/635781237.db2.gz HOYAJLFBCXYDTN-VOTSOKGWSA-N 0 0 296.461 3.488 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCc2ccccc21 ZINC000843820883 635783891 /nfs/dbraw/zinc/78/38/91/635783891.db2.gz YZMIVJNCYDBPBP-IBGZPJMESA-N 0 0 295.382 3.255 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CC3(CCC3)C2)c1 ZINC000843833219 635786480 /nfs/dbraw/zinc/78/64/80/635786480.db2.gz ZOAHPHUYXWWELJ-LLVKDONJSA-N 0 0 289.375 3.158 20 10 CGCDRN COC(=O)c1sccc1C[NH2+][C@H](C)c1ccccc1O ZINC000879648506 635824799 /nfs/dbraw/zinc/82/47/99/635824799.db2.gz RLWUIVTXXKUIBA-SNVBAGLBSA-N 0 0 291.372 3.091 20 10 CGCDRN C[C@@H]([NH2+]CCc1nc2ccccc2n1C)c1ccccc1O ZINC000879648346 635825103 /nfs/dbraw/zinc/82/51/03/635825103.db2.gz KWELNRRYSTVHIE-CYBMUJFWSA-N 0 0 295.386 3.172 20 10 CGCDRN Cc1cc(C)cc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879648330 635825908 /nfs/dbraw/zinc/82/59/08/635825908.db2.gz KCRRLLPNOFMKPM-CQSZACIVSA-N 0 0 298.386 3.298 20 10 CGCDRN Cc1ccccc1C1(NC(=O)C2=CC(=O)CS2)CC1 ZINC000844147376 635827376 /nfs/dbraw/zinc/82/73/76/635827376.db2.gz OVKPSXIHDPRSFF-UHFFFAOYSA-N 0 0 273.357 3.181 20 10 CGCDRN CCc1cc(C(=O)Nc2ccc(N)cc2)oc1CC ZINC000844162407 635829566 /nfs/dbraw/zinc/82/95/66/635829566.db2.gz ALAOURUODCCBOQ-UHFFFAOYSA-N 0 0 258.321 3.239 20 10 CGCDRN COc1ccc(N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000844353193 635877402 /nfs/dbraw/zinc/87/74/02/635877402.db2.gz QMEJNUCKRBLSHR-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000844939110 635988367 /nfs/dbraw/zinc/98/83/67/635988367.db2.gz ZUMULYOYZFUCKZ-INIZCTEOSA-N 0 0 299.370 3.354 20 10 CGCDRN O=C(NCCC1=CCCC1)NCc1cc(Cl)ccc1O ZINC000845068695 636004578 /nfs/dbraw/zinc/00/45/78/636004578.db2.gz AEDZUOGFSKARMJ-UHFFFAOYSA-N 0 0 294.782 3.345 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000845114434 636006403 /nfs/dbraw/zinc/00/64/03/636006403.db2.gz KIOUBAONPVEHRJ-DLBZAZTESA-N 0 0 286.419 3.147 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000845257405 636018133 /nfs/dbraw/zinc/01/81/33/636018133.db2.gz FNALPZHUWRYYEZ-JIMOISOXSA-N 0 0 294.782 3.033 20 10 CGCDRN CCc1nc(C)cc(NCc2cc(Cl)ccc2O)n1 ZINC000845708979 636083834 /nfs/dbraw/zinc/08/38/34/636083834.db2.gz KBZVQDPMZWHODU-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN CCc1ccc(NC(=O)N[C@H](C)c2ccccc2O)nc1 ZINC000881198443 636084898 /nfs/dbraw/zinc/08/48/98/636084898.db2.gz OIUDSLJZXKAJJW-LLVKDONJSA-N 0 0 285.347 3.232 20 10 CGCDRN CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000846009721 636129121 /nfs/dbraw/zinc/12/91/21/636129121.db2.gz CILHRNFTQTYOJQ-TZMCWYRMSA-N 0 0 296.392 3.064 20 10 CGCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000846019079 636130690 /nfs/dbraw/zinc/13/06/90/636130690.db2.gz XKXLQPZGMBDVAY-QMTHXVAHSA-N 0 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/nfs/dbraw/zinc/69/25/42/636692542.db2.gz OCJMYDOEDYCPNF-UHFFFAOYSA-N 0 0 273.710 3.195 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000848926162 636699045 /nfs/dbraw/zinc/69/90/45/636699045.db2.gz MFKMACPVPBYBGE-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN COc1cc(CNc2cccnn2)c(O)c(C(C)(C)C)c1 ZINC000849345455 636815407 /nfs/dbraw/zinc/81/54/07/636815407.db2.gz ONAHYLQPWCTUSF-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCO1 ZINC000132655536 636827613 /nfs/dbraw/zinc/82/76/13/636827613.db2.gz HTLZFKLJBHXZPC-ZDUSSCGKSA-N 0 0 269.772 3.047 20 10 CGCDRN CC(C)=CCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000849744458 636862055 /nfs/dbraw/zinc/86/20/55/636862055.db2.gz BXSCUGSWZNTFSD-SOFGYWHQSA-N 0 0 262.305 3.011 20 10 CGCDRN CC1(C)OCC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850409330 637052071 /nfs/dbraw/zinc/05/20/71/637052071.db2.gz RDBVQSNFXJZOPW-SECBINFHSA-N 0 0 287.762 3.089 20 10 CGCDRN CCN(C)c1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850499453 637091981 /nfs/dbraw/zinc/09/19/81/637091981.db2.gz PUGOYABHGIDPQK-WWGRRREGSA-N 0 0 299.422 3.091 20 10 CGCDRN C[C@@H]([NH2+]CC1=CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850556276 637121507 /nfs/dbraw/zinc/12/15/07/637121507.db2.gz FRNRVERNXABFBV-SNVBAGLBSA-N 0 0 262.309 3.061 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cccc(Cl)c1[O-] ZINC000850571167 637128714 /nfs/dbraw/zinc/12/87/14/637128714.db2.gz OAUGQYIOYILFDU-SCRDCRAPSA-N 0 0 269.772 3.264 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000850576096 637131017 /nfs/dbraw/zinc/13/10/17/637131017.db2.gz GZSLCKRTQKVXPW-JTQLQIEISA-N 0 0 277.364 3.018 20 10 CGCDRN Nc1ccc(CNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1 ZINC000850710896 637135295 /nfs/dbraw/zinc/13/52/95/637135295.db2.gz JNOFUUHYCBTMOB-ZFWWWQNUSA-N 0 0 294.345 3.101 20 10 CGCDRN CC1(C)CCN(C(=O)Cc2ccc(N)cc2)CC(C)(C)C1 ZINC000851644624 637464270 /nfs/dbraw/zinc/46/42/70/637464270.db2.gz SQLORWYMIVEDPN-UHFFFAOYSA-N 0 0 288.435 3.486 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cc(C2CC2)no1 ZINC000851831106 637517154 /nfs/dbraw/zinc/51/71/54/637517154.db2.gz MBNKXHGTFNMRPL-UHFFFAOYSA-N 0 0 270.332 3.123 20 10 CGCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886487681 637537523 /nfs/dbraw/zinc/53/75/23/637537523.db2.gz OGHBEIJLMPZFFE-LLVKDONJSA-N 0 0 275.323 3.391 20 10 CGCDRN C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886516804 637549859 /nfs/dbraw/zinc/54/98/59/637549859.db2.gz YUABHCHQDLUCDE-RKDXNWHRSA-N 0 0 295.276 3.149 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886548142 637575762 /nfs/dbraw/zinc/57/57/62/637575762.db2.gz XWKSKYNKICCJJX-YGRLFVJLSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1c([O-])cccc1F ZINC000886550064 637576374 /nfs/dbraw/zinc/57/63/74/637576374.db2.gz RUZFGMSOZXSZNC-SMDDNHRTSA-N 0 0 281.371 3.123 20 10 CGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886554837 637577351 /nfs/dbraw/zinc/57/73/51/637577351.db2.gz DPBPKTIWMNMBHL-ABAIWWIYSA-N 0 0 283.387 3.225 20 10 CGCDRN CC(C)c1nnc([C@@H](C)N[C@H](C)c2c(O)cccc2F)[nH]1 ZINC000886558651 637581547 /nfs/dbraw/zinc/58/15/47/637581547.db2.gz PBJDJXCTHZOKNO-NXEZZACHSA-N 0 0 292.358 3.185 20 10 CGCDRN C[C@H]([NH2+]CCSCC(F)(F)F)c1c([O-])cccc1F ZINC000886560422 637581671 /nfs/dbraw/zinc/58/16/71/637581671.db2.gz YYHZOQJZDMKYSY-QMMMGPOBSA-N 0 0 297.317 3.477 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1c([O-])cccc1F ZINC000886591728 637596389 /nfs/dbraw/zinc/59/63/89/637596389.db2.gz AFFNJZACOWTNDD-ITDIGPHOSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1c([O-])cccc1F ZINC000886592573 637596438 /nfs/dbraw/zinc/59/64/38/637596438.db2.gz XNCOMJWBGRCREP-MZPVMMEZSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1c([O-])cccc1F ZINC000886601406 637597977 /nfs/dbraw/zinc/59/79/77/637597977.db2.gz RUUGHAJPCQGLIV-TZMCWYRMSA-N 0 0 292.398 3.199 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1c([O-])cccc1F ZINC000886601403 637599011 /nfs/dbraw/zinc/59/90/11/637599011.db2.gz RUUGHAJPCQGLIV-GXTWGEPZSA-N 0 0 292.398 3.199 20 10 CGCDRN CN1CCCc2cc(CNc3nccs3)ccc21 ZINC000110437154 637602102 /nfs/dbraw/zinc/60/21/02/637602102.db2.gz DTTXQFDHTSQEGK-UHFFFAOYSA-N 0 0 259.378 3.138 20 10 CGCDRN CC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000852138216 637602883 /nfs/dbraw/zinc/60/28/83/637602883.db2.gz JUDVGACTMLOONZ-KRWDZBQOSA-N 0 0 299.418 3.051 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886621999 637613402 /nfs/dbraw/zinc/61/34/02/637613402.db2.gz HVDQPUOTWXDBHK-ZKYQVNSYSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H](NC(=O)NCCC(C)(C)F)c1ccc(N(C)C)cc1 ZINC000852261544 637624513 /nfs/dbraw/zinc/62/45/13/637624513.db2.gz RRRQMCNPGQQKJG-LBPRGKRZSA-N 0 0 295.402 3.251 20 10 CGCDRN CCC[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)OCC ZINC000886641818 637624600 /nfs/dbraw/zinc/62/46/00/637624600.db2.gz SNJMLLKFSYFEQH-NEPJUHHUSA-N 0 0 269.360 3.387 20 10 CGCDRN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886640326 637625006 /nfs/dbraw/zinc/62/50/06/637625006.db2.gz WTTKSDSQPLJBBI-NVGCLXPQSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1c([O-])cccc1F ZINC000886645432 637626484 /nfs/dbraw/zinc/62/64/84/637626484.db2.gz ZDKMQRAIKHXEKY-RAIGVLPGSA-N 0 0 281.371 3.122 20 10 CGCDRN CC(=O)c1ccnc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000853239560 637791109 /nfs/dbraw/zinc/79/11/09/637791109.db2.gz ANROMZZYARQFRB-UHFFFAOYSA-N 0 0 287.338 3.101 20 10 CGCDRN CCc1cc(CCCOc2ccc(N(C)C)cc2)on1 ZINC000853692775 637894286 /nfs/dbraw/zinc/89/42/86/637894286.db2.gz ICRAQUVUVYGQHR-UHFFFAOYSA-N 0 0 274.364 3.315 20 10 CGCDRN C[C@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)C[C@@H](C)C1 ZINC000829130442 638215004 /nfs/dbraw/zinc/21/50/04/638215004.db2.gz CGIXGMZWXWCJQP-ITGUQSILSA-N 0 0 275.396 3.463 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2ccc(Cl)s2)c1 ZINC000114544240 638375554 /nfs/dbraw/zinc/37/55/54/638375554.db2.gz OVQYFUXQEACIRW-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CCCC[C@@H](C(=O)NCc1cc(OC)ccc1O)C(C)C ZINC000857126023 638458911 /nfs/dbraw/zinc/45/89/11/638458911.db2.gz QGRXOOZXWIWUNX-OAHLLOKOSA-N 0 0 293.407 3.479 20 10 CGCDRN CCCC1(CNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858297091 638674557 /nfs/dbraw/zinc/67/45/57/638674557.db2.gz ANDYVDDTSQTQMW-UHFFFAOYSA-N 0 0 276.380 3.080 20 10 CGCDRN C[C@H](Nc1cc(Cl)nc(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000858487759 638739738 /nfs/dbraw/zinc/73/97/38/638739738.db2.gz HSIOMTIJKYBURA-VIFPVBQESA-N 0 0 292.770 3.075 20 10 CGCDRN C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000858529689 638756143 /nfs/dbraw/zinc/75/61/43/638756143.db2.gz NYUUCKXEDAYOJM-YFHXEIQVSA-N 0 0 285.334 3.133 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927032756 638834070 /nfs/dbraw/zinc/83/40/70/638834070.db2.gz OZZZRJOHANZBHD-VWYCJHECSA-N 0 0 296.392 3.235 20 10 CGCDRN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(F)cc1[O-] ZINC000927165196 638849526 /nfs/dbraw/zinc/84/95/26/638849526.db2.gz ZYYYLOBNJNPRCW-IAQYHMDHSA-N 0 0 279.355 3.284 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C(C)C)ns2)cc1 ZINC000930842238 639075063 /nfs/dbraw/zinc/07/50/63/639075063.db2.gz WNZLQGWUFKONSF-UHFFFAOYSA-N 0 0 277.393 3.307 20 10 CGCDRN COC(=O)CCCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000859186089 639102710 /nfs/dbraw/zinc/10/27/10/639102710.db2.gz ZJVCPYUTLOGKSN-UHFFFAOYSA-N 0 0 297.370 3.392 20 10 CGCDRN CC(C)CCOC(=O)NCc1cc(Cl)ccc1O ZINC000859206092 639108656 /nfs/dbraw/zinc/10/86/56/639108656.db2.gz HXZDMXKWJCKPRM-UHFFFAOYSA-N 0 0 271.744 3.318 20 10 CGCDRN COC(=O)CCCCN(C)c1ccc(OC(C)C)cc1 ZINC000859277904 639123884 /nfs/dbraw/zinc/12/38/84/639123884.db2.gz FOTJFUGXSUNSRZ-UHFFFAOYSA-N 0 0 279.380 3.253 20 10 CGCDRN Cc1cc(NCc2ccccc2O)cnc1Br ZINC000117847735 639471807 /nfs/dbraw/zinc/47/18/07/639471807.db2.gz BZEYSICJOMUTHG-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN COc1cc(C)c(NCc2ccccc2O)cc1F ZINC000187489988 639605850 /nfs/dbraw/zinc/60/58/50/639605850.db2.gz XMTRZXOZKZEVJU-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027167 639635794 /nfs/dbraw/zinc/63/57/94/639635794.db2.gz LALRCWOCAIPHDG-RDTXWAMCSA-N 0 0 298.386 3.239 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)C(C)(C)C ZINC000862028087 639636718 /nfs/dbraw/zinc/63/67/18/639636718.db2.gz PGLRQWCXQVHOKP-NSHDSACASA-N 0 0 286.375 3.239 20 10 CGCDRN CCO[C@@H](C)c1nccn1Cc1ccc(N(C)CC)cc1 ZINC000155595383 639940913 /nfs/dbraw/zinc/94/09/13/639940913.db2.gz HHDUDQYGWKTICE-AWEZNQCLSA-N 0 0 287.407 3.485 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1 ZINC000045089921 639982827 /nfs/dbraw/zinc/98/28/27/639982827.db2.gz GHJBNXKEQYHPPR-HNNXBMFYSA-N 0 0 273.380 3.455 20 10 CGCDRN CON(C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000048620460 640063499 /nfs/dbraw/zinc/06/34/99/640063499.db2.gz TXYLVBUUWXVFGX-UHFFFAOYSA-N 0 0 261.321 3.010 20 10 CGCDRN CCn1c2ccccc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000048879754 640074311 /nfs/dbraw/zinc/07/43/11/640074311.db2.gz JROPQEAETWZHIC-UHFFFAOYSA-N 0 0 284.315 3.143 20 10 CGCDRN CC(C)[C@H](Sc1nccs1)C(=O)NCc1ccco1 ZINC000048876000 640075549 /nfs/dbraw/zinc/07/55/49/640075549.db2.gz SFYAWPIYNFZBCC-NSHDSACASA-N 0 0 296.417 3.169 20 10 CGCDRN CO[C@@H](C)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000188372694 640133338 /nfs/dbraw/zinc/13/33/38/640133338.db2.gz XYSNDNLNUWAXPY-JTQLQIEISA-N 0 0 287.315 3.058 20 10 CGCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1nccs1 ZINC000077591251 640248586 /nfs/dbraw/zinc/24/85/86/640248586.db2.gz FHHLUDXSPUJYQA-WDEREUQCSA-N 0 0 284.450 3.272 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/c2ccco2)cc1 ZINC000079390052 640399011 /nfs/dbraw/zinc/39/90/11/640399011.db2.gz JNGGIVXGWSTLCK-VAWYXSNFSA-N 0 0 298.386 3.455 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CC(C)C)cc1 ZINC000079390083 640399030 /nfs/dbraw/zinc/39/90/30/640399030.db2.gz PWYDNLGVPMUCTE-UHFFFAOYSA-N 0 0 262.397 3.195 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CC2CCC2)cc1 ZINC000079645174 640420299 /nfs/dbraw/zinc/42/02/99/640420299.db2.gz QVGYPUOOUPELKF-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN O=[N+]([O-])c1cnc(Sc2ccccc2F)s1 ZINC000195505689 640588403 /nfs/dbraw/zinc/58/84/03/640588403.db2.gz PUYNZSIISVQOOK-UHFFFAOYSA-N 0 0 256.283 3.342 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cc(F)ccc1O ZINC000248519999 640765556 /nfs/dbraw/zinc/76/55/56/640765556.db2.gz QUDLXQFQUALZIL-IUIKQTSFSA-N 0 0 281.371 3.123 20 10 CGCDRN Oc1cc2c(cc1O)CN(c1cccc(C3CC3)n1)CCC2 ZINC001155948905 805628165 /nfs/dbraw/zinc/62/81/65/805628165.db2.gz ZFIBFOUYGMGCNO-UHFFFAOYSA-N 0 0 296.370 3.323 20 10 CGCDRN Oc1ccc(-c2nc3cc4c(cc3[nH]2)CCC4)cc1O ZINC001250464671 805632769 /nfs/dbraw/zinc/63/27/69/805632769.db2.gz IOELLXMOKGFXNW-UHFFFAOYSA-N 0 0 266.300 3.130 20 10 CGCDRN CC(C)Cn1c2ccccc2nc1-c1cc(O)c(O)cc1O ZINC001251358158 805886406 /nfs/dbraw/zinc/88/64/06/805886406.db2.gz AWISSNVYDLEAQV-UHFFFAOYSA-N 0 0 298.342 3.476 20 10 CGCDRN Oc1ccc(CNc2nccc3ccsc32)cc1O ZINC001158995930 806028562 /nfs/dbraw/zinc/02/85/62/806028562.db2.gz RWZSJGIGMWTGNI-UHFFFAOYSA-N 0 0 272.329 3.320 20 10 CGCDRN Oc1ccc(CNc2nc(Cl)cc(C3CC3)n2)cc1O ZINC001158996170 806028675 /nfs/dbraw/zinc/02/86/75/806028675.db2.gz YNDKUUGPSNOLQZ-UHFFFAOYSA-N 0 0 291.738 3.031 20 10 CGCDRN Cc1ccc(Cl)c(NCc2ccc(O)c(O)c2)n1 ZINC001158994804 806028449 /nfs/dbraw/zinc/02/84/49/806028449.db2.gz WZLFLWVRABWUHL-UHFFFAOYSA-N 0 0 264.712 3.067 20 10 CGCDRN COc1cc(NCc2ccc(O)c(O)c2)nc2ccccc21 ZINC001158997445 806029409 /nfs/dbraw/zinc/02/94/09/806029409.db2.gz IIGXFZXGSLYUMQ-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN COc1ccc2cnc(NCc3ccc(O)c(O)c3)cc2c1 ZINC001158997590 806029608 /nfs/dbraw/zinc/02/96/08/806029608.db2.gz LHSAOXKJGWWUDW-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN Cc1c(F)cccc1C(=O)NCc1cccc(Cl)c1O ZINC001159041399 806035726 /nfs/dbraw/zinc/03/57/26/806035726.db2.gz LIMCMYQAKZNSKQ-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Nc1ccc(Nc2ccc(N3CCCCC3)nc2)cc1 ZINC001159166590 806055227 /nfs/dbraw/zinc/05/52/27/806055227.db2.gz AFYVECPMMQVSFX-UHFFFAOYSA-N 0 0 268.364 3.398 20 10 CGCDRN Nc1ccc(Nc2cnc3ccc(O)cc3c2)cc1 ZINC001159242457 806064861 /nfs/dbraw/zinc/06/48/61/806064861.db2.gz DSDLVKNOXRAGTA-UHFFFAOYSA-N 0 0 251.289 3.266 20 10 CGCDRN Cc1ccc(-c2nnc(-c3cccc(O)c3O)o2)cc1 ZINC001252608026 806085329 /nfs/dbraw/zinc/08/53/29/806085329.db2.gz FOMXXRNZOGUJNB-UHFFFAOYSA-N 0 0 268.272 3.123 20 10 CGCDRN COC(=O)c1cc(Nc2ccc(N)cc2)ccc1C ZINC001159486068 806112729 /nfs/dbraw/zinc/11/27/29/806112729.db2.gz VHTXOJZKYDVHLD-UHFFFAOYSA-N 0 0 256.305 3.107 20 10 CGCDRN CCOC(=O)c1ccc(OC)c(Nc2ccc(N)cc2)c1 ZINC001159485738 806112734 /nfs/dbraw/zinc/11/27/34/806112734.db2.gz QFJIBGBCAYPQME-UHFFFAOYSA-N 0 0 286.331 3.198 20 10 CGCDRN COC(=O)c1cc(C)c(Nc2ccc(N)cc2)cc1C ZINC001159854603 806186929 /nfs/dbraw/zinc/18/69/29/806186929.db2.gz WHZJBJQMHJQZLK-UHFFFAOYSA-N 0 0 270.332 3.416 20 10 CGCDRN COc1cccc(Nc2ccc3c(c2)CCCN3)c1N ZINC001159910550 806195974 /nfs/dbraw/zinc/19/59/74/806195974.db2.gz WFDLATMMXXZIOG-UHFFFAOYSA-N 0 0 269.348 3.379 20 10 CGCDRN C[C@H]1CCCC[C@H]1CCNC(=O)c1c(F)ccc(O)c1O ZINC001160796073 806304862 /nfs/dbraw/zinc/30/48/62/806304862.db2.gz WHVGTGGFHXTRCI-QWRGUYRKSA-N 0 0 295.354 3.183 20 10 CGCDRN Cc1cc(C)c(CNc2nc(C)nc3c2CCC3)c(O)c1 ZINC001160810919 806305294 /nfs/dbraw/zinc/30/52/94/806305294.db2.gz WGYRNNZNZKEJII-UHFFFAOYSA-N 0 0 283.375 3.208 20 10 CGCDRN Nc1ccc(CNc2ccc3cccc([N+](=O)[O-])c3n2)cc1 ZINC001162786472 806666205 /nfs/dbraw/zinc/66/62/05/806666205.db2.gz XLLWRYGRKLTTPK-UHFFFAOYSA-N 0 0 294.314 3.337 20 10 CGCDRN Nc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1 ZINC000037333089 798865987 /nfs/dbraw/zinc/86/59/87/798865987.db2.gz LSCLHXGUTPVISI-UHFFFAOYSA-N 0 0 298.411 3.488 20 10 CGCDRN C[C@H]1CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000379818996 799352977 /nfs/dbraw/zinc/35/29/77/799352977.db2.gz SQFFXLMLNSADMF-GZMMTYOYSA-N 0 0 270.170 3.043 20 10 CGCDRN CC1(C)CC([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000381469683 799380326 /nfs/dbraw/zinc/38/03/26/799380326.db2.gz NUNIPRZSCXEANQ-UHFFFAOYSA-N 0 0 284.197 3.433 20 10 CGCDRN CC[C@@H](O)CNc1ccccc1OCc1ccccc1 ZINC000381757974 799386058 /nfs/dbraw/zinc/38/60/58/799386058.db2.gz HKDOSBLOZGHCQL-OAHLLOKOSA-N 0 0 271.360 3.448 20 10 CGCDRN CCOc1cccc(C[N@H+](C)CC2CC(F)(F)C2)c1O ZINC000383145115 799400223 /nfs/dbraw/zinc/40/02/23/799400223.db2.gz GHXZKKLVKMRSOX-UHFFFAOYSA-N 0 0 285.334 3.268 20 10 CGCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccccc1O ZINC000387298017 799445521 /nfs/dbraw/zinc/44/55/21/799445521.db2.gz LTEVKMJMZWYLON-GFCCVEGCSA-N 0 0 297.358 3.095 20 10 CGCDRN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000391853753 799479243 /nfs/dbraw/zinc/47/92/43/799479243.db2.gz TZJLCXQXCZAYGX-WDEREUQCSA-N 0 0 290.436 3.324 20 10 CGCDRN CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000393965275 799492645 /nfs/dbraw/zinc/49/26/45/799492645.db2.gz NHZYMYZPPOQUON-LLVKDONJSA-N 0 0 292.206 3.196 20 10 CGCDRN Cc1nocc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000397930649 799523067 /nfs/dbraw/zinc/52/30/67/799523067.db2.gz UMBXVHMZHRDZST-UHFFFAOYSA-N 0 0 285.391 3.263 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2ccccc21 ZINC000588405884 799689390 /nfs/dbraw/zinc/68/93/90/799689390.db2.gz JZAQCOTYPGBSBQ-NTMALXAHSA-N 0 0 295.338 3.090 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407992 799690306 /nfs/dbraw/zinc/69/03/06/799690306.db2.gz MTHCHRMJIRWQIO-PGQSYZCXSA-N 0 0 289.375 3.052 20 10 CGCDRN C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(F)cc1[O-] ZINC000695284221 799827756 /nfs/dbraw/zinc/82/77/56/799827756.db2.gz OFEYCPXLMAJBBO-LLVKDONJSA-N 0 0 269.360 3.387 20 10 CGCDRN [O-]c1c(C[NH2+]CCOC2CCCCC2)ccc(F)c1F ZINC000700737671 799878368 /nfs/dbraw/zinc/87/83/68/799878368.db2.gz KFTVWAVYDNCWOM-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN CC1([NH2+]Cc2cccc(Br)c2[O-])CC=CC1 ZINC000702141776 799903783 /nfs/dbraw/zinc/90/37/83/799903783.db2.gz OPZHKIGZZMPAMQ-UHFFFAOYSA-N 0 0 282.181 3.353 20 10 CGCDRN CCSCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703260452 799921651 /nfs/dbraw/zinc/92/16/51/799921651.db2.gz ZLSZXBMVRGIUEJ-SECBINFHSA-N 0 0 275.364 3.292 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H](C)C2)c1[O-] ZINC000703271373 799921683 /nfs/dbraw/zinc/92/16/83/799921683.db2.gz CNAQBLNHZUNBQI-LLVKDONJSA-N 0 0 279.355 3.356 20 10 CGCDRN CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703363536 799923514 /nfs/dbraw/zinc/92/35/14/799923514.db2.gz HARMWFJQQOHBSI-VXGBXAGGSA-N 0 0 287.375 3.434 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000708467371 799989312 /nfs/dbraw/zinc/98/93/12/799989312.db2.gz ZSFAADZFMKZGPR-NSHDSACASA-N 0 0 273.348 3.046 20 10 CGCDRN C[C@@H](CCc1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708480403 799990862 /nfs/dbraw/zinc/99/08/62/799990862.db2.gz HXGZDSKAISPALK-JTQLQIEISA-N 0 0 281.302 3.374 20 10 CGCDRN C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC(C)(C)C1 ZINC000709553863 800009568 /nfs/dbraw/zinc/00/95/68/800009568.db2.gz NHXHDVLUTBDZOW-DOMZBBRYSA-N 0 0 274.408 3.142 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711476451 800062206 /nfs/dbraw/zinc/06/22/06/800062206.db2.gz MRVVEFQLPCDMBR-JTQLQIEISA-N 0 0 257.736 3.227 20 10 CGCDRN CC(C)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715703195 800145063 /nfs/dbraw/zinc/14/50/63/800145063.db2.gz OZCSNWWSCFYMJL-UHFFFAOYSA-N 0 0 276.149 3.134 20 10 CGCDRN O=c1cc(-c2cccnc2)ccn1Cc1ccc(F)cc1 ZINC000821184831 800456171 /nfs/dbraw/zinc/45/61/71/800456171.db2.gz BBMRTNPILAMOGL-UHFFFAOYSA-N 0 0 280.302 3.098 20 10 CGCDRN Cc1nc(C)c(C)c(NCc2cccc(Cl)c2O)n1 ZINC000897391864 800587859 /nfs/dbraw/zinc/58/78/59/800587859.db2.gz CWQMQZRJXRLZMD-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN CC1=C(C)C[C@](C)(C(=O)NCc2ccc(N)cc2)CC1 ZINC000906627822 800599602 /nfs/dbraw/zinc/59/96/02/800599602.db2.gz OVBHPOLJEXMRIH-QGZVFWFLSA-N 0 0 272.392 3.412 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccc(F)cc1[O-] ZINC001117113491 802433885 /nfs/dbraw/zinc/43/38/85/802433885.db2.gz VUOCKUBHICHKDB-HRCADAONSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC001118099214 802525870 /nfs/dbraw/zinc/52/58/70/802525870.db2.gz LXFKVYCJSZREGD-CFVMTHIKSA-N 0 0 292.398 3.458 20 10 CGCDRN CSc1cccc(N(C)C(=O)/C=C(\C)c2cnccn2)c1 ZINC001125685071 803071952 /nfs/dbraw/zinc/07/19/52/803071952.db2.gz RPKSWOCMPNXBSK-FMIVXFBMSA-N 0 0 299.399 3.265 20 10 CGCDRN CSc1ncc(C)cc1-c1ncnc2c1ccn2C ZINC001244877638 803559441 /nfs/dbraw/zinc/55/94/41/803559441.db2.gz IXOJSQSCNGRZSW-UHFFFAOYSA-N 0 0 270.361 3.061 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001137831905 803777116 /nfs/dbraw/zinc/77/71/16/803777116.db2.gz RMKHZCLOHWGXCY-PSASIEDQSA-N 0 0 295.251 3.111 20 10 CGCDRN Cn1ccc2ccc(-c3cnc(N)c(Cl)c3)cc21 ZINC001245565234 803818533 /nfs/dbraw/zinc/81/85/33/803818533.db2.gz BONXTLBPYOXFSR-UHFFFAOYSA-N 0 0 257.724 3.476 20 10 CGCDRN Oc1c(F)cccc1CN1CCC[C@H]1C(F)(F)F ZINC001138124019 803864074 /nfs/dbraw/zinc/86/40/74/803864074.db2.gz VSSCLXSYPFZDIP-JTQLQIEISA-N 0 0 263.234 3.058 20 10 CGCDRN Cc1cc(F)cc(Nc2ccncc2Cl)c1O ZINC001212157472 814985553 /nfs/dbraw/zinc/98/55/53/814985553.db2.gz MVCOCRSSJNXZMK-UHFFFAOYSA-N 0 0 252.676 3.054 20 10 CGCDRN Cc1cc(CN2CCC(F)(F)[C@@H](F)C2)ccc1N(C)C ZINC001139669731 804248104 /nfs/dbraw/zinc/24/81/04/804248104.db2.gz KCLVQIOULDWDHM-AWEZNQCLSA-N 0 0 286.341 3.240 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001139681811 804249219 /nfs/dbraw/zinc/24/92/19/804249219.db2.gz YZFMBWFYVOLMLD-UHFFFAOYSA-N 0 0 285.309 3.385 20 10 CGCDRN C[C@]1(F)CCCC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685786 804251894 /nfs/dbraw/zinc/25/18/94/804251894.db2.gz XFXGVLOWLAGUPE-AWEZNQCLSA-N 0 0 273.298 3.385 20 10 CGCDRN C[N@H+](CCc1ccc(F)cc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683570 804251913 /nfs/dbraw/zinc/25/19/13/804251913.db2.gz MPIAPILQTHFIKR-UHFFFAOYSA-N 0 0 295.304 3.484 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001139685750 804253273 /nfs/dbraw/zinc/25/32/73/804253273.db2.gz VSYJUXHGCPNEEE-HNNXBMFYSA-N 0 0 290.313 3.403 20 10 CGCDRN CN(Cc1cnc(Cl)s1)Cc1cc(F)ccc1O ZINC001140057599 804364958 /nfs/dbraw/zinc/36/49/58/804364958.db2.gz HKZWJCFUCQWYSI-UHFFFAOYSA-N 0 0 286.759 3.273 20 10 CGCDRN CCCCN(CC(=O)OCC)Cc1ccc(Cl)cc1O ZINC001140464287 804441188 /nfs/dbraw/zinc/44/11/88/804441188.db2.gz JUTUBCKYUJZNLH-UHFFFAOYSA-N 0 0 299.798 3.211 20 10 CGCDRN CC[N@H+](Cc1ccc(Cl)cc1[O-])C1CCOCC1 ZINC001140466939 804442546 /nfs/dbraw/zinc/44/25/46/804442546.db2.gz NACKYBMKWKAKIQ-UHFFFAOYSA-N 0 0 269.772 3.047 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC001140582647 804466832 /nfs/dbraw/zinc/46/68/32/804466832.db2.gz LNIUNVOXWNSCHN-UHFFFAOYSA-N 0 0 277.261 3.292 20 10 CGCDRN Cc1snnc1-c1nc(-c2cc(F)c(F)cc2C)no1 ZINC001212405469 815020437 /nfs/dbraw/zinc/02/04/37/815020437.db2.gz UKKIXYWYPWXCTR-UHFFFAOYSA-N 0 0 294.286 3.150 20 10 CGCDRN Cc1ccc(O)c(CN2CC(OCc3ccccc3)C2)c1 ZINC001140621104 804476912 /nfs/dbraw/zinc/47/69/12/804476912.db2.gz OTXJWDPOKLQTQS-UHFFFAOYSA-N 0 0 283.371 3.102 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC001140922396 804548543 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Nc1ccc(Cc2nc(-c3ccc(F)cc3F)no2)cc1 ZINC001248189077 804892284 /nfs/dbraw/zinc/89/22/84/804892284.db2.gz ZGXDKBBGBXZSNJ-UHFFFAOYSA-N 0 0 287.269 3.188 20 10 CGCDRN Nc1ccc(Cc2nc(-c3cccc(F)c3F)no2)cc1 ZINC001248186242 804892393 /nfs/dbraw/zinc/89/23/93/804892393.db2.gz IXWSNAAXWWWNES-UHFFFAOYSA-N 0 0 287.269 3.188 20 10 CGCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)C1CCCC1 ZINC001248684490 804966449 /nfs/dbraw/zinc/96/64/49/804966449.db2.gz AQMMHIBIWHOZGD-SNVBAGLBSA-N 0 0 296.798 3.424 20 10 CGCDRN CC/C=C(/F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150377942 805257409 /nfs/dbraw/zinc/25/74/09/805257409.db2.gz MPQCCKAVYQLHHY-LHHJGKSTSA-N 0 0 277.339 3.151 20 10 CGCDRN CC(C)[C@@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001152611643 805357301 /nfs/dbraw/zinc/35/73/01/805357301.db2.gz AYMHSXIZDVCIGR-AWEZNQCLSA-N 0 0 291.391 3.068 20 10 CGCDRN CC(C)(C)c1cnc(SCOC(=O)C2CC2)s1 ZINC001165809178 807019985 /nfs/dbraw/zinc/01/99/85/807019985.db2.gz WIXUYFATENEKPA-UHFFFAOYSA-N 0 0 271.407 3.443 20 10 CGCDRN C[C@@]1(O)C[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256974757 807022057 /nfs/dbraw/zinc/02/20/57/807022057.db2.gz INIANBSBYNOOOE-WJYNOGRTSA-N 0 0 295.342 3.156 20 10 CGCDRN Cc1cc(NCCc2cc(O)c(O)cc2O)cc2cc[nH]c21 ZINC001168013085 807300516 /nfs/dbraw/zinc/30/05/16/807300516.db2.gz CKWUDNQGOIXTMI-UHFFFAOYSA-N 0 0 298.342 3.248 20 10 CGCDRN C[C@H](c1ccccc1)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC001258105158 807309552 /nfs/dbraw/zinc/30/95/52/807309552.db2.gz CHHWLLFROJCAKP-GFCCVEGCSA-N 0 0 297.354 3.464 20 10 CGCDRN Cc1ccc2[nH]ccc2c1NCc1ccc(O)c(O)c1 ZINC001169993344 807735313 /nfs/dbraw/zinc/73/53/13/807735313.db2.gz ULKXDIIYYQBTJK-UHFFFAOYSA-N 0 0 268.316 3.500 20 10 CGCDRN Cc1cc(C(F)(F)F)ncc1NCc1ccc(O)c(O)c1 ZINC001169994738 807735412 /nfs/dbraw/zinc/73/54/12/807735412.db2.gz GGRFSYWFXBMJSW-UHFFFAOYSA-N 0 0 298.264 3.432 20 10 CGCDRN Cc1c[nH]c2c1cccc2NCc1ccc(O)c(O)c1 ZINC001169994860 807735482 /nfs/dbraw/zinc/73/54/82/807735482.db2.gz LFZLOHAFFPPXQG-UHFFFAOYSA-N 0 0 268.316 3.500 20 10 CGCDRN COc1cc(CN2Cc3cccc(O)c3C2)ccc1F ZINC001262012382 807805292 /nfs/dbraw/zinc/80/52/92/807805292.db2.gz UOYVJGZDLZYTRF-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN CC(C)(C)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603468 807873155 /nfs/dbraw/zinc/87/31/55/807873155.db2.gz JKJLRYUIUKNUND-AWEZNQCLSA-N 0 0 289.423 3.237 20 10 CGCDRN Cc1ccc[n+]([O-])c1NCc1cc2ccccc2cc1O ZINC001171407338 808048975 /nfs/dbraw/zinc/04/89/75/808048975.db2.gz NXDLDIHNZUSWRC-UHFFFAOYSA-N 0 0 280.327 3.099 20 10 CGCDRN Cc1ccsc1C(=O)N[C@H](C)c1ccccc1O ZINC001171717385 808126015 /nfs/dbraw/zinc/12/60/15/808126015.db2.gz RGXZUPZGBYQVTQ-SNVBAGLBSA-N 0 0 261.346 3.253 20 10 CGCDRN Cn1cnc(/C=C/C(=O)N2CCC(C)(C)c3ccccc32)c1 ZINC001274615972 808879729 /nfs/dbraw/zinc/87/97/29/808879729.db2.gz VTJNPTIOTUATOM-CMDGGOBGSA-N 0 0 295.386 3.148 20 10 CGCDRN Oc1ccc(F)cc1Nc1c(Cl)cncc1Cl ZINC001174624894 809107304 /nfs/dbraw/zinc/10/73/04/809107304.db2.gz RYTABWCULUNODI-UHFFFAOYSA-N 0 0 273.094 3.399 20 10 CGCDRN Oc1cccc(Nc2cccc3cccnc32)c1O ZINC001174859828 809179650 /nfs/dbraw/zinc/17/96/50/809179650.db2.gz LXGOKINZRZUERF-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN Cc1cc2ccc(C(=O)N3Cc4cccc(O)c4C3)cn2c1 ZINC001175038418 809247949 /nfs/dbraw/zinc/24/79/49/809247949.db2.gz QZKTUUOPLFPUGA-UHFFFAOYSA-N 0 0 292.338 3.109 20 10 CGCDRN Cc1ccc(C)c(N(CCO)c2ccc(N)cc2)c1 ZINC001175164245 809295101 /nfs/dbraw/zinc/29/51/01/809295101.db2.gz BBGLTNIULXHBIW-UHFFFAOYSA-N 0 0 256.349 3.016 20 10 CGCDRN CC[C@@H](C)c1ncc(NC(=O)C2=CC(=O)CS2)cn1 ZINC001296964377 809510436 /nfs/dbraw/zinc/51/04/36/809510436.db2.gz XGNZNHMDQCLZBZ-MRVPVSSYSA-N 0 0 277.349 3.010 20 10 CGCDRN CNc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1F ZINC001302532881 809597067 /nfs/dbraw/zinc/59/70/67/809597067.db2.gz SUXXDQUXVFXGPA-SNVBAGLBSA-N 0 0 288.322 3.064 20 10 CGCDRN Cc1cc(N2CCOCC2)ccc1N(C)c1ccc(N)cc1 ZINC001213566725 815303799 /nfs/dbraw/zinc/30/37/99/815303799.db2.gz OLYIDLNBARHKKO-UHFFFAOYSA-N 0 0 297.402 3.182 20 10 CGCDRN COc1cc(Nc2cccc(O)c2O)c(F)cc1F ZINC001176109489 809624895 /nfs/dbraw/zinc/62/48/95/809624895.db2.gz OAXIDXXDWLZXBC-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN Nc1ccc(Nc2ccnn2Cc2ccccc2)cc1 ZINC001176707844 809745334 /nfs/dbraw/zinc/74/53/34/809745334.db2.gz RYYGPJLJYKUTKE-UHFFFAOYSA-N 0 0 264.332 3.257 20 10 CGCDRN C/C=C(C)/C=C/C(=O)NCc1c(C)cc(C)cc1O ZINC001178514926 809873024 /nfs/dbraw/zinc/87/30/24/809873024.db2.gz WTXFFEPMQSGUEA-YDRCSAEOSA-N 0 0 259.349 3.148 20 10 CGCDRN CN(C)c1ccc(/C=C/C(=O)NC2(CC3CC3)CC2)cc1 ZINC001180130374 809977628 /nfs/dbraw/zinc/97/76/28/809977628.db2.gz LBWFGTFSYJKVQC-JXMROGBWSA-N 0 0 284.403 3.215 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@H](C2CC2)O1 ZINC001181373938 810049194 /nfs/dbraw/zinc/04/91/94/810049194.db2.gz UUGUGVHLVIILAC-MEBBXXQBSA-N 0 0 281.783 3.045 20 10 CGCDRN CC(C)c1ccc(O)c(CN2CCn3cccc3C2)c1 ZINC001183741503 810159780 /nfs/dbraw/zinc/15/97/80/810159780.db2.gz UJAFWQMQIHXRCX-UHFFFAOYSA-N 0 0 270.376 3.333 20 10 CGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001184374156 810196451 /nfs/dbraw/zinc/19/64/51/810196451.db2.gz KOCMGPDZGBJQOM-OAHLLOKOSA-N 0 0 299.361 3.307 20 10 CGCDRN CCN(Cc1ccccc1O)C(=O)NCCc1ccccc1 ZINC001184929757 810223535 /nfs/dbraw/zinc/22/35/35/810223535.db2.gz CEVVNBIDDVKOBQ-UHFFFAOYSA-N 0 0 298.386 3.166 20 10 CGCDRN Cc1cc(C)c(CNC(=O)[C@H]2CCC(C)(C)C2)c(O)c1 ZINC001185174580 810241258 /nfs/dbraw/zinc/24/12/58/810241258.db2.gz LPQDLGAPJNZXIN-ZDUSSCGKSA-N 0 0 275.392 3.452 20 10 CGCDRN CCN(Cc1ccccc1O)C(=O)NCc1ccc(C)cc1 ZINC001185396067 810260327 /nfs/dbraw/zinc/26/03/27/810260327.db2.gz WTHJYWJHXMZNDW-UHFFFAOYSA-N 0 0 298.386 3.432 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(F)cc(F)c2)c1 ZINC001214169055 815376101 /nfs/dbraw/zinc/37/61/01/815376101.db2.gz UPCNBCHJNFYAJH-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN CC(=O)c1cccc(NC(=O)NCc2cc(C)ccc2O)c1 ZINC001214159853 815374416 /nfs/dbraw/zinc/37/44/16/815374416.db2.gz RQSCVGNBGNVHKI-UHFFFAOYSA-N 0 0 298.342 3.225 20 10 CGCDRN COC(=O)c1cc(OCCC2CCCC2)ccc1N(C)C ZINC001189968538 810598678 /nfs/dbraw/zinc/59/86/78/810598678.db2.gz UMTPRPBOYCYTML-UHFFFAOYSA-N 0 0 291.391 3.498 20 10 CGCDRN C[C@H]1CC[C@H](NC(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001191816946 810746105 /nfs/dbraw/zinc/74/61/05/810746105.db2.gz XBMVDIDCJMZQEJ-MQMHXKEQSA-N 0 0 288.391 3.039 20 10 CGCDRN CCCCCCNC(=O)N1CCc2cccc(O)c2C1 ZINC001191971105 810761162 /nfs/dbraw/zinc/76/11/62/810761162.db2.gz SCNQVNKTAHYXGN-UHFFFAOYSA-N 0 0 276.380 3.040 20 10 CGCDRN CCN(C[C@H](COC)C(C)C)c1ccc(OC)c(OC)c1 ZINC001192106942 810769745 /nfs/dbraw/zinc/76/97/45/810769745.db2.gz CKFQUUXNQZIXRN-CQSZACIVSA-N 0 0 295.423 3.449 20 10 CGCDRN Cc1nc(C(=O)NCc2c(C)cc(C)cc2O)sc1C ZINC001192610780 810809967 /nfs/dbraw/zinc/80/99/67/810809967.db2.gz MFOGIYBUIDHOLI-UHFFFAOYSA-N 0 0 290.388 3.012 20 10 CGCDRN CC(C)(CNC(=O)c1ccc(O)c(O)c1Cl)CC1CC1 ZINC001193246971 810865267 /nfs/dbraw/zinc/86/52/67/810865267.db2.gz FZYLAUIRCUKZNM-UHFFFAOYSA-N 0 0 297.782 3.307 20 10 CGCDRN COC(=O)COc1ccc(N(C)CCC2CCCC2)cc1 ZINC001193293196 810869136 /nfs/dbraw/zinc/86/91/36/810869136.db2.gz GLZOGVOQWVWXPN-UHFFFAOYSA-N 0 0 291.391 3.255 20 10 CGCDRN CCCCCOC(=O)N[C@@H](C)c1ccccc1O ZINC001193786149 810955539 /nfs/dbraw/zinc/95/55/39/810955539.db2.gz DZBXAYZVKHTBJS-NSHDSACASA-N 0 0 251.326 3.370 20 10 CGCDRN CCCCCOC(=O)NCc1cccc(C)c1O ZINC001193789019 810957040 /nfs/dbraw/zinc/95/70/40/810957040.db2.gz XETKLAGSIPDLTN-UHFFFAOYSA-N 0 0 251.326 3.117 20 10 CGCDRN C[C@H](NC(=O)OCC(C)(C)C)c1ccccc1O ZINC001194404033 811068656 /nfs/dbraw/zinc/06/86/56/811068656.db2.gz LXRMNEXIGYSDDZ-JTQLQIEISA-N 0 0 251.326 3.226 20 10 CGCDRN COc1ccccc1OC(=O)N[C@@H](C)c1ccccc1O ZINC001195282218 811238224 /nfs/dbraw/zinc/23/82/24/811238224.db2.gz RLZRZCUGWHNUOE-NSHDSACASA-N 0 0 287.315 3.250 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2ccc(F)cc2F)nc1 ZINC001200932706 811768479 /nfs/dbraw/zinc/76/84/79/811768479.db2.gz UUTUANKMGWWADX-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1c(F)cccc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215143799 815488978 /nfs/dbraw/zinc/48/89/78/815488978.db2.gz SVSORELWFROPTA-UHFFFAOYSA-N 0 0 286.262 3.262 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)Nc1ccccc1Cl ZINC001202067365 812008629 /nfs/dbraw/zinc/00/86/29/812008629.db2.gz XIEKDRRLAOIMAR-UHFFFAOYSA-N 0 0 292.722 3.073 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(F)c2n[nH]cc21 ZINC001215380372 815513244 /nfs/dbraw/zinc/51/32/44/815513244.db2.gz NXFGNWWPBABFBW-UHFFFAOYSA-N 0 0 256.284 3.052 20 10 CGCDRN COc1ccc(C(=O)c2ccccc2NC2=CCOC2)cc1 ZINC001203395454 812340538 /nfs/dbraw/zinc/34/05/38/812340538.db2.gz IASXOFSPBKXPTH-UHFFFAOYSA-N 0 0 295.338 3.252 20 10 CGCDRN COc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001203627589 812411125 /nfs/dbraw/zinc/41/11/25/812411125.db2.gz KESNGSVGVRLLMX-MRXNPFEDSA-N 0 0 298.386 3.003 20 10 CGCDRN COc1ccc(O)c(CN2CCCCC(F)(F)C2)c1 ZINC001203669403 812425387 /nfs/dbraw/zinc/42/53/87/812425387.db2.gz AYPAUWSMDQWCSR-UHFFFAOYSA-N 0 0 271.307 3.022 20 10 CGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccc[nH]2)C1 ZINC001204010275 812518421 /nfs/dbraw/zinc/51/84/21/812518421.db2.gz MNAJJSGAKOYZQQ-UHFFFAOYSA-N 0 0 295.386 3.073 20 10 CGCDRN COc1cc(CN2CC[C@@H]2c2ccccc2)cc(O)c1O ZINC001204346599 812618381 /nfs/dbraw/zinc/61/83/81/812618381.db2.gz VCZKKPPFBZNCLK-CQSZACIVSA-N 0 0 285.343 3.053 20 10 CGCDRN C[C@]1([NH3+])CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001204945925 812792107 /nfs/dbraw/zinc/79/21/07/812792107.db2.gz KIEUMBNCCZCSRG-ZDUSSCGKSA-N 0 0 289.206 3.012 20 10 CGCDRN Cc1ccc(F)c(Nc2ccncc2C(F)(F)F)c1O ZINC001215735813 815568967 /nfs/dbraw/zinc/56/89/67/815568967.db2.gz GRYNAXPJGDYRGZ-UHFFFAOYSA-N 0 0 286.228 3.419 20 10 CGCDRN Cc1cccc(Nc2ccc3c(c2)OCCN3)c1O ZINC001209728562 814122465 /nfs/dbraw/zinc/12/24/65/814122465.db2.gz RJPRYXZSLSZHTD-UHFFFAOYSA-N 0 0 256.305 3.249 20 10 CGCDRN O=C1C[C@H](Oc2ccc(NN=C3C=CC(=O)C=C3)cc2)CN1 ZINC001218339349 816172014 /nfs/dbraw/zinc/17/20/14/816172014.db2.gz QUTMIYUPYYVGCL-HNNXBMFYSA-N 0 0 297.314 3.075 20 10 CGCDRN Cc1ccccc1OC[C@@H](C)Oc1ccc(N)cc1 ZINC001218357772 816176719 /nfs/dbraw/zinc/17/67/19/816176719.db2.gz LHHLZHKMBFDZJY-CYBMUJFWSA-N 0 0 257.333 3.424 20 10 CGCDRN Cc1cccc(OC[C@@H](C)Oc2ccc(N)cc2)c1 ZINC001218358645 816178682 /nfs/dbraw/zinc/17/86/82/816178682.db2.gz WJXIGTSWWOZZHA-CYBMUJFWSA-N 0 0 257.333 3.424 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cccc3[nH]ccc32)c(O)c1 ZINC001220826066 816302232 /nfs/dbraw/zinc/30/22/32/816302232.db2.gz ZKPXNROXBIFRRM-UHFFFAOYSA-N 0 0 294.354 3.420 20 10 CGCDRN COCc1cncc(-c2cccc3c2ccn3C)c1 ZINC001242956096 823188400 /nfs/dbraw/zinc/18/84/00/823188400.db2.gz YVBLXDGDDMZJTP-UHFFFAOYSA-N 0 0 252.317 3.387 20 10 CGCDRN CCOc1ccc(-c2ccc3ccc(=O)n(C)c3c2)c(C)n1 ZINC001222122094 816352890 /nfs/dbraw/zinc/35/28/90/816352890.db2.gz QEHBYKLUIDWVNT-UHFFFAOYSA-N 0 0 294.354 3.308 20 10 CGCDRN Cn1cc(-c2ncnc3c2ccn3C)c(-c2ccccc2)n1 ZINC001222505085 816458005 /nfs/dbraw/zinc/45/80/05/816458005.db2.gz HNFDQFXGOWHOCA-UHFFFAOYSA-N 0 0 289.342 3.036 20 10 CGCDRN CCn1ccc(-c2ccc(Cl)nc2Cl)cc1=O ZINC001243088052 823241870 /nfs/dbraw/zinc/24/18/70/823241870.db2.gz IBVNAWGWFDDODY-UHFFFAOYSA-N 0 0 269.131 3.237 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)CC2)c1 ZINC001226347376 817333755 /nfs/dbraw/zinc/33/37/55/817333755.db2.gz OJXZQYXEGIKVTE-IUODEOHRSA-N 0 0 290.407 3.469 20 10 CGCDRN CC[N@H+](Cc1ccc(C)cc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565804 818123982 /nfs/dbraw/zinc/12/39/82/818123982.db2.gz CKYPZKUUARAWOT-UHFFFAOYSA-N 0 0 299.370 3.421 20 10 CGCDRN Oc1cccc2c1CN(Cc1ccc(Cl)c(O)c1)CC2 ZINC001231736700 818164517 /nfs/dbraw/zinc/16/45/17/818164517.db2.gz JYJXVZIMJNFMCK-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN Cc1cc(C)c(CN2CCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001231843267 818185705 /nfs/dbraw/zinc/18/57/05/818185705.db2.gz UDRLISNXUGHGOC-CYBMUJFWSA-N 0 0 273.298 3.188 20 10 CGCDRN Oc1c(C[N@@H+]2CCc3cccnc3C2)ccc2ccccc21 ZINC001231880929 818199990 /nfs/dbraw/zinc/19/99/90/818199990.db2.gz OCAAUGMZNIONAL-UHFFFAOYSA-N 0 0 290.366 3.499 20 10 CGCDRN CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC001231911116 818210411 /nfs/dbraw/zinc/21/04/11/818210411.db2.gz BTOJLNWDPWQCRE-ZLDLUXBVSA-N 0 0 295.810 3.293 20 10 CGCDRN CC[N@H+](CCN1CCCCC1)Cc1cccc(Cl)c1[O-] ZINC001231912757 818211981 /nfs/dbraw/zinc/21/19/81/818211981.db2.gz XPSDITAVYWABKR-UHFFFAOYSA-N 0 0 296.842 3.353 20 10 CGCDRN Oc1cc(O)c(CN2CCCC[C@H](F)C2)cc1Cl ZINC001232259866 818295508 /nfs/dbraw/zinc/29/55/08/818295508.db2.gz MBQBNEURJLTTSN-JTQLQIEISA-N 0 0 273.735 3.075 20 10 CGCDRN CCc1csc(CN(CC)Cc2ccccc2O)n1 ZINC001232474090 818362738 /nfs/dbraw/zinc/36/27/38/818362738.db2.gz NQTUONJGTCPNHC-UHFFFAOYSA-N 0 0 276.405 3.433 20 10 CGCDRN C[C@H]1CC(=O)CCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233284198 818565491 /nfs/dbraw/zinc/56/54/91/818565491.db2.gz LYDSRYLUASIXJM-LBPRGKRZSA-N 0 0 275.392 3.243 20 10 CGCDRN CC(C)(C)c1ccc(O)c(CN2CC3(C2)CCCO3)c1 ZINC001233284424 818567805 /nfs/dbraw/zinc/56/78/05/818567805.db2.gz UDIWUCTZIQXNJH-UHFFFAOYSA-N 0 0 275.392 3.055 20 10 CGCDRN Oc1ccc(F)c(F)c1CN1CC[C@H](CF)C(F)(F)C1 ZINC001233332191 818584217 /nfs/dbraw/zinc/58/42/17/818584217.db2.gz BQMXNVVYFXESIV-MRVPVSSYSA-N 0 0 295.251 3.097 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001233332489 818585714 /nfs/dbraw/zinc/58/57/14/818585714.db2.gz MRRVLFZSCLZFER-GHMZBOCLSA-N 0 0 267.319 3.292 20 10 CGCDRN CCC[C@H](Oc1ccc2c(c1)CCN2CC)C(=O)OCC ZINC001233607263 818657248 /nfs/dbraw/zinc/65/72/48/818657248.db2.gz KBZWHXCYYYBLQU-INIZCTEOSA-N 0 0 291.391 3.180 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CC2CCC1CC2 ZINC001234474155 818863303 /nfs/dbraw/zinc/86/33/03/818863303.db2.gz OMWWENNUYOOJOU-NWHVRFAMSA-N 0 0 276.332 3.258 20 10 CGCDRN Oc1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cccc1-c1ccccc1 ZINC001235003290 818977037 /nfs/dbraw/zinc/97/70/37/818977037.db2.gz VJOIGDJDANZHOH-CALCHBBNSA-N 0 0 295.382 3.137 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCCO1 ZINC001235674433 819134672 /nfs/dbraw/zinc/13/46/72/819134672.db2.gz FZEAUKMZDATREK-ZDUSSCGKSA-N 0 0 277.408 3.301 20 10 CGCDRN C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673951 819135464 /nfs/dbraw/zinc/13/54/64/819135464.db2.gz BWWKDMRWWJZOMP-LBPRGKRZSA-N 0 0 275.392 3.101 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCCO1 ZINC001235674431 819135706 /nfs/dbraw/zinc/13/57/06/819135706.db2.gz FZEAUKMZDATREK-CYBMUJFWSA-N 0 0 277.408 3.301 20 10 CGCDRN CCCOC1CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235686242 819142794 /nfs/dbraw/zinc/14/27/94/819142794.db2.gz ZKHYXMPMLXBJAG-UHFFFAOYSA-N 0 0 277.408 3.301 20 10 CGCDRN CCc1ccc(CN2CC(Oc3ccccc3)C2)c(O)c1 ZINC001236795173 819598051 /nfs/dbraw/zinc/59/80/51/819598051.db2.gz RIZQMHJSCIMQFW-UHFFFAOYSA-N 0 0 283.371 3.218 20 10 CGCDRN CN(Cc1cc(Cl)c(Cl)cc1O)Cc1ncccn1 ZINC001236793328 819598135 /nfs/dbraw/zinc/59/81/35/819598135.db2.gz KBMAMSRCVIWISS-UHFFFAOYSA-N 0 0 298.173 3.121 20 10 CGCDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798112 819599664 /nfs/dbraw/zinc/59/96/64/819599664.db2.gz GSPICCIJOZJITJ-WPRPVWTQSA-N 0 0 290.190 3.044 20 10 CGCDRN COc1cc(C)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c1 ZINC001236811003 819603814 /nfs/dbraw/zinc/60/38/14/819603814.db2.gz MTRVNCIOSZJESW-BBRMVZONSA-N 0 0 275.392 3.474 20 10 CGCDRN COc1ccc(C[NH+]2C3CCC2CC3)c([O-])c1Cl ZINC001236811180 819603852 /nfs/dbraw/zinc/60/38/52/819603852.db2.gz HRGUGZRAGCJLEB-UHFFFAOYSA-N 0 0 267.756 3.181 20 10 CGCDRN COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1Cl ZINC001236811855 819604979 /nfs/dbraw/zinc/60/49/79/819604979.db2.gz QCZGSACXTIBWBH-PHIMTYICSA-N 0 0 281.783 3.142 20 10 CGCDRN COc1cc(C)c(C[N@@H+]2C[C@@H](C)CC23CC3)c(O)c1 ZINC001236821021 819607719 /nfs/dbraw/zinc/60/77/19/819607719.db2.gz QCRFBCCHMNJGJQ-NSHDSACASA-N 0 0 261.365 3.084 20 10 CGCDRN Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001236829820 819610452 /nfs/dbraw/zinc/61/04/52/819610452.db2.gz KYPYNEBXGVXDFD-CWRNSKLLSA-N 0 0 271.335 3.335 20 10 CGCDRN CCOc1ccc(CN2Cc3nc(C)sc3C2)c(O)c1 ZINC001237046954 819650743 /nfs/dbraw/zinc/65/07/43/819650743.db2.gz INOOYABBNUPAGF-UHFFFAOYSA-N 0 0 290.388 3.072 20 10 CGCDRN CCOc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001237049739 819652541 /nfs/dbraw/zinc/65/25/41/819652541.db2.gz IPFRDSAGKYLXLX-RISCZKNCSA-N 0 0 297.345 3.268 20 10 CGCDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084823 819663439 /nfs/dbraw/zinc/66/34/39/819663439.db2.gz OAJHCQQAZIRYRA-IUCAKERBSA-N 0 0 290.190 3.044 20 10 CGCDRN Oc1ccc(Cl)c(Cl)c1CN1CC2(CSC2)C1 ZINC001237086554 819663475 /nfs/dbraw/zinc/66/34/75/819663475.db2.gz MGSVIYFLBPOEQG-UHFFFAOYSA-N 0 0 290.215 3.248 20 10 CGCDRN Oc1ccc(Cl)c(Cl)c1CN1CC[C@]12CCOC2 ZINC001237087365 819664162 /nfs/dbraw/zinc/66/41/62/819664162.db2.gz WJTZRMLQKVPQDR-CYBMUJFWSA-N 0 0 288.174 3.064 20 10 CGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCC[C@H](F)C1 ZINC001237140123 819676440 /nfs/dbraw/zinc/67/64/40/819676440.db2.gz VINCJYIOEOXSCH-NSHDSACASA-N 0 0 277.261 3.345 20 10 CGCDRN Oc1ccc(-c2ccc(F)cc2)cc1CN1CC2(CCO2)C1 ZINC001237645739 819797583 /nfs/dbraw/zinc/79/75/83/819797583.db2.gz JWBHJRDKVNZWGY-UHFFFAOYSA-N 0 0 299.345 3.173 20 10 CGCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCCC12CC2 ZINC001237807829 819848284 /nfs/dbraw/zinc/84/82/84/819848284.db2.gz MSWKNSIOALSFKY-UHFFFAOYSA-N 0 0 255.720 3.313 20 10 CGCDRN C[C@@]1(F)CCN(Cc2cc(F)c(Cl)cc2O)C[C@H]1F ZINC001237934953 819888030 /nfs/dbraw/zinc/88/80/30/819888030.db2.gz NTXUXCFOLFEMLN-CHWSQXEVSA-N 0 0 293.716 3.457 20 10 CGCDRN C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C[C@@H]1CCCCO1 ZINC001237937641 819888733 /nfs/dbraw/zinc/88/87/33/819888733.db2.gz SMWRZTKSRRBWNF-NSHDSACASA-N 0 0 287.762 3.186 20 10 CGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237948676 819890883 /nfs/dbraw/zinc/89/08/83/819890883.db2.gz GJRJEVWNQVEQTD-ARENWVFISA-N 0 0 273.710 3.117 20 10 CGCDRN Oc1cc(Cl)c(F)cc1CN1CCc2cnccc2C1 ZINC001237946421 819891110 /nfs/dbraw/zinc/89/11/10/819891110.db2.gz MAZNFOHDJWVQJN-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN Cc1cc(F)cc(CN2CCn3cccc3[C@H]2C)c1O 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Cc1cccc(CN(C)C(=O)NCc2ccc(N)cc2)c1C ZINC001336290084 936186785 /nfs/dbraw/zinc/18/67/85/936186785.db2.gz HCRRVWGXFMZUAF-UHFFFAOYSA-N 0 0 297.402 3.227 20 10 CGCDRN CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337070827 936235771 /nfs/dbraw/zinc/23/57/71/936235771.db2.gz XLMIPTZDLRHAMS-KRWDZBQOSA-N 0 0 289.423 3.381 20 10 CGCDRN CCc1[nH]nc(NCc2cc(Cl)cc(F)c2O)c1C ZINC001337273591 936247487 /nfs/dbraw/zinc/24/74/87/936247487.db2.gz BSIRTTUMINTHHH-UHFFFAOYSA-N 0 0 283.734 3.391 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001473922687 937830587 /nfs/dbraw/zinc/83/05/87/937830587.db2.gz FUMRWRLNZQFZIU-FZMZJTMJSA-N 0 0 278.352 3.359 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(Br)CC1 ZINC001474733748 937877423 /nfs/dbraw/zinc/87/74/23/937877423.db2.gz PNRZJMXKYQFMGS-UHFFFAOYSA-N 0 0 290.588 3.063 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)[C@@H](C)C1 ZINC001477904579 937899469 /nfs/dbraw/zinc/89/94/69/937899469.db2.gz YMCUYNMZPUSNNH-TYNCELHUSA-N 0 0 288.391 3.242 20 10 CGCDRN Cc1nc(C(C)C)ccc1C(=O)NCc1ccc(N)cc1 ZINC001515332059 938005632 /nfs/dbraw/zinc/00/56/32/938005632.db2.gz HIJAORPKRCFYHR-UHFFFAOYSA-N 0 0 283.375 3.026 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 ZINC001524861048 938046264 /nfs/dbraw/zinc/04/62/64/938046264.db2.gz DNGBCTGKXFQKSV-HUUCEWRRSA-N 0 0 274.408 3.051 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N1CCc2c1cccc2F ZINC001528295064 938066720 /nfs/dbraw/zinc/06/67/20/938066720.db2.gz FYHSLOGGNDVSEP-FPLPWBNLSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1cccnc1C ZINC001531684694 938082836 /nfs/dbraw/zinc/08/28/36/938082836.db2.gz NDURVXGSOZTIPL-SOFGYWHQSA-N 0 0 294.354 3.137 20 10 CGCDRN CSc1ccccc1N(C)C(=O)/C=C(\C)c1cnccn1 ZINC001533184624 938089460 /nfs/dbraw/zinc/08/94/60/938089460.db2.gz KMUDXCUKRMBJIO-ZRDIBKRKSA-N 0 0 299.399 3.265 20 10 CGCDRN CCCCN(C(=O)/C=C/c1cccnc1)c1ccncc1 ZINC001535385889 938100617 /nfs/dbraw/zinc/10/06/17/938100617.db2.gz ZBVXYXRLAFGHEK-VOTSOKGWSA-N 0 0 281.359 3.323 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2cc(F)ccc21 ZINC001538411910 938117741 /nfs/dbraw/zinc/11/77/41/938117741.db2.gz KSTYPTWNNBLVIP-XFXZXTDPSA-N 0 0 282.318 3.213 20 10 CGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)c1cc(C)cc(C)c1 ZINC001545020216 938148371 /nfs/dbraw/zinc/14/83/71/938148371.db2.gz BFRLIRIQUKGJTG-UHFFFAOYSA-N 0 0 299.370 3.310 20 10 CGCDRN C[C@H](Cc1ccsc1)N(C)C(=O)C1=CC(=O)CS1 ZINC001545205006 938148974 /nfs/dbraw/zinc/14/89/74/938148974.db2.gz BWHNBJSHOCXUSF-SECBINFHSA-N 0 0 281.402 3.218 20 10 CGCDRN Cc1ccc(O)c(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001556081150 938201590 /nfs/dbraw/zinc/20/15/90/938201590.db2.gz JNCWXUASAKWDOI-UHFFFAOYSA-N 0 0 298.302 3.115 20 10 CGCDRN CCNc1ccc(C)cc1C(=O)NCc1cc(C)ccc1O ZINC001557553366 938210615 /nfs/dbraw/zinc/21/06/15/938210615.db2.gz WCNLRUFUMXJEAW-UHFFFAOYSA-N 0 0 298.386 3.371 20 10 CGCDRN Cc1ccccc1[C@@H](C)CC(=O)NCc1cc(O)ccc1O ZINC001558174821 938214061 /nfs/dbraw/zinc/21/40/61/938214061.db2.gz VFHITTKYPWRQBT-ZDUSSCGKSA-N 0 0 299.370 3.216 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1ccc2ccccc2n1 ZINC001558454973 938215572 /nfs/dbraw/zinc/21/55/72/938215572.db2.gz IZJBUOZAVBMAAZ-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN CN1CCCc2cc(CNc3cc(C4CC4)ncn3)ccc21 ZINC001559083590 938219959 /nfs/dbraw/zinc/21/99/59/938219959.db2.gz NAEYZGGEBUAAHN-UHFFFAOYSA-N 0 0 294.402 3.349 20 10 CGCDRN COc1ccc(N(C)C[C@H]2Cc3cc(OC)ccc3O2)cc1 ZINC001559969773 938240200 /nfs/dbraw/zinc/24/02/00/938240200.db2.gz PZZKZUGLJJNXSI-QGZVFWFLSA-N 0 0 299.370 3.144 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H](COC)C(C)C)cc1 ZINC001560122632 938244705 /nfs/dbraw/zinc/24/47/05/938244705.db2.gz CLWDHGICJOVUJG-AWEZNQCLSA-N 0 0 265.397 3.440 20 10 CGCDRN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CC=CCC1 ZINC001560705711 938271294 /nfs/dbraw/zinc/27/12/94/938271294.db2.gz PPWZHYUZTIANGS-NSHDSACASA-N 0 0 267.319 3.459 20 10 CGCDRN CC[C@@H](NCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC001561058148 938292777 /nfs/dbraw/zinc/29/27/77/938292777.db2.gz IMCGJZGLSZXQLS-CYBMUJFWSA-N 0 0 274.330 3.492 20 10 CGCDRN Cc1cc(C)cc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001562132530 938297945 /nfs/dbraw/zinc/29/79/45/938297945.db2.gz AKMHMRMLXZDNLS-UHFFFAOYSA-N 0 0 288.322 3.470 20 10 CGCDRN C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001563482804 938303222 /nfs/dbraw/zinc/30/32/22/938303222.db2.gz NQPHSLNFEALASQ-GWCFXTLKSA-N 0 0 296.798 3.424 20 10 CGCDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001565580526 960786503 /nfs/dbraw/zinc/78/65/03/960786503.db2.gz ZQVBFTSATCYBQG-KGLIPLIRSA-N 0 0 291.391 3.115 20 10 CGCDRN CCn1cc(C(=O)NCc2ccc(N)cc2)c2ccccc21 ZINC001578344274 962583833 /nfs/dbraw/zinc/58/38/33/962583833.db2.gz NSZZGKJRNRXNKA-UHFFFAOYSA-N 0 0 293.370 3.173 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1O ZINC001587445208 963193959 /nfs/dbraw/zinc/19/39/59/963193959.db2.gz WUKIKKKAQCAVCV-OLZOCXBDSA-N 0 0 285.343 3.037 20 10 CGCDRN CCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001587451460 963198805 /nfs/dbraw/zinc/19/88/05/963198805.db2.gz VQFFFNPCVBKXJA-LBPRGKRZSA-N 0 0 285.343 3.282 20 10 CGCDRN O=C(c1nccc2ccsc21)N1Cc2cccc(O)c2C1 ZINC001587933541 963237570 /nfs/dbraw/zinc/23/75/70/963237570.db2.gz VTJDBZANYAAXSU-UHFFFAOYSA-N 0 0 296.351 3.158 20 10 CGCDRN CC[C@H]([NH2+]CCCCC(=O)[O-])c1cc(Cl)ccc1O ZINC001589571126 964003721 /nfs/dbraw/zinc/00/37/21/964003721.db2.gz XCRQWYAYYRGWSX-LBPRGKRZSA-N 0 0 285.771 3.341 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C(=O)[O-] ZINC001603462022 973310711 /nfs/dbraw/zinc/31/07/11/973310711.db2.gz XCLOWIKCIKMXDR-IUODEOHRSA-N 0 0 299.370 3.088 20 10 CGCDRN CCCCCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595712049 982303558 /nfs/dbraw/zinc/30/35/58/982303558.db2.gz GLRKWDZRDWOYCU-LLVKDONJSA-N 0 0 265.353 3.321 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594261621 999010644 /nfs/dbraw/zinc/01/06/44/999010644.db2.gz OMUNSPWTCMIHAW-FOGDFJRCSA-N 0 0 295.404 3.025 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594261623 999010880 /nfs/dbraw/zinc/01/08/80/999010880.db2.gz OMUNSPWTCMIHAW-SCVCMEIPSA-N 0 0 295.404 3.025 20 10 CGCDRN COc1ccc(CNc2cccc(Cl)n2)c(O)c1 ZINC000083480135 178497304 /nfs/dbraw/zinc/49/73/04/178497304.db2.gz LLEGBGRVSHHEGS-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN COc1cccc(CNc2ccc(C(F)(F)F)cn2)c1O ZINC000091479203 345815558 /nfs/dbraw/zinc/81/55/58/345815558.db2.gz BSAJMVKKRVLZIK-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN CCOc1ccc(N(CC)CC(=O)OC(C)(C)C)cc1 ZINC000728917364 571847804 /nfs/dbraw/zinc/84/78/04/571847804.db2.gz AMLILMDYXWLWMA-UHFFFAOYSA-N 0 0 279.380 3.253 20 10 CGCDRN CC1([NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000126161647 260346122 /nfs/dbraw/zinc/34/61/22/260346122.db2.gz AFKQNVRTYCZCCC-UHFFFAOYSA-N 0 0 270.170 3.187 20 10 CGCDRN COC(=O)CC1([NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000279676235 290976690 /nfs/dbraw/zinc/97/66/90/290976690.db2.gz OAUYIHYIFBUZNB-UHFFFAOYSA-N 0 0 297.782 3.011 20 10 CGCDRN FC(F)(F)CNCc1ccc(N2CCCCC2)cc1 ZINC000020553164 368808312 /nfs/dbraw/zinc/80/83/12/368808312.db2.gz UPMGOFGJHWUULU-UHFFFAOYSA-N 0 0 272.314 3.329 20 10 CGCDRN CC(C)SCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000287204066 371620716 /nfs/dbraw/zinc/62/07/16/371620716.db2.gz WLHKRRJTVYNUNE-JTQLQIEISA-N 0 0 257.374 3.324 20 10 CGCDRN CC(C)(C)CCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000287207586 371620804 /nfs/dbraw/zinc/62/08/04/371620804.db2.gz IBPMUJZAKQNYBZ-UHFFFAOYSA-N 0 0 279.380 3.321 20 10 CGCDRN CCC[C@H](O)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287677561 371692916 /nfs/dbraw/zinc/69/29/16/371692916.db2.gz MNMASUNHSJIAPA-GXFFZTMASA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1C ZINC000293986001 372545941 /nfs/dbraw/zinc/54/59/41/372545941.db2.gz LIPQXFNDFCCRHO-SFHVURJKSA-N 0 0 291.435 3.240 20 10 CGCDRN CCOCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294214378 372615889 /nfs/dbraw/zinc/61/58/89/372615889.db2.gz LLVFBCXKOYEAOL-UHFFFAOYSA-N 0 0 275.751 3.091 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)OC ZINC000294302374 372643863 /nfs/dbraw/zinc/64/38/63/372643863.db2.gz VGEKQWYAWNTLSL-NJZAAPMLSA-N 0 0 263.381 3.030 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC1(F)F ZINC000296184329 373046774 /nfs/dbraw/zinc/04/67/74/373046774.db2.gz VIKHDJHKPOMIIG-LBPRGKRZSA-N 0 0 283.318 3.176 20 10 CGCDRN Nc1ccc(CNC(=O)CC2CC(c3ccccc3)C2)cc1 ZINC000297127549 373256477 /nfs/dbraw/zinc/25/64/77/373256477.db2.gz HEFOOHDSQQKMJR-UHFFFAOYSA-N 0 0 294.398 3.469 20 10 CGCDRN COCCc1ccnc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297340820 373269147 /nfs/dbraw/zinc/26/91/47/373269147.db2.gz OMNNBCBRWYXKEG-AWEZNQCLSA-N 0 0 284.359 3.076 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccn1C ZINC000298344878 373296967 /nfs/dbraw/zinc/29/69/67/373296967.db2.gz RUHGWSUQHUQEAL-UHFFFAOYSA-N 0 0 299.418 3.142 20 10 CGCDRN Cc1cccc(OCCC(=O)N(C)Cc2ccccc2O)c1 ZINC000298817755 373413226 /nfs/dbraw/zinc/41/32/26/373413226.db2.gz ZJJHEHMZTUUDQT-UHFFFAOYSA-N 0 0 299.370 3.128 20 10 CGCDRN Cc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)on1 ZINC000298728901 373393090 /nfs/dbraw/zinc/39/30/90/373393090.db2.gz RDIUCTXRKDITRD-UHFFFAOYSA-N 0 0 285.391 3.214 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cc(Cl)nc(C)n2)c1 ZINC000301184162 373684953 /nfs/dbraw/zinc/68/49/53/373684953.db2.gz IVKDOWNJWAHNGW-QMMMGPOBSA-N 0 0 293.754 3.326 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](C)SC)cc1 ZINC000179246141 373848617 /nfs/dbraw/zinc/84/86/17/373848617.db2.gz PRFZEVZFCNRDGI-ZDUSSCGKSA-N 0 0 294.464 3.291 20 10 CGCDRN Cc1cc(Br)cc(C[N@@H+](C)C2CC2)c1O ZINC000179690719 373905605 /nfs/dbraw/zinc/90/56/05/373905605.db2.gz QMIHHWMEMYUKQI-UHFFFAOYSA-N 0 0 270.170 3.057 20 10 CGCDRN Cc1ncc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])s1 ZINC000179790593 373918032 /nfs/dbraw/zinc/91/80/32/373918032.db2.gz JNDJIIATHVEQJC-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN CCCCOCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187677725 375070073 /nfs/dbraw/zinc/07/00/73/375070073.db2.gz ONPHTUQHKCSUAH-JTQLQIEISA-N 0 0 273.323 3.138 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000187910418 375114084 /nfs/dbraw/zinc/11/40/84/375114084.db2.gz CEZCLKSHVFKTDQ-QWRGUYRKSA-N 0 0 285.334 3.280 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCCc2ccc(F)cc21 ZINC000493837285 375482921 /nfs/dbraw/zinc/48/29/21/375482921.db2.gz OYXNQMHDMWSKMA-AATRIKPKSA-N 0 0 288.347 3.275 20 10 CGCDRN CC[C@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000190226933 375486032 /nfs/dbraw/zinc/48/60/32/375486032.db2.gz AUJVKHGENAEKRV-HNNXBMFYSA-N 0 0 283.799 3.030 20 10 CGCDRN CCOCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191209853 375596899 /nfs/dbraw/zinc/59/68/99/375596899.db2.gz SZJJWNVOVUCZEU-JTQLQIEISA-N 0 0 273.323 3.138 20 10 CGCDRN CCc1nc(CN(C)c2ccc(OC(C)C)cc2)no1 ZINC000191579004 375642643 /nfs/dbraw/zinc/64/26/43/375642643.db2.gz XELPVPGQDBIHFP-UHFFFAOYSA-N 0 0 275.352 3.056 20 10 CGCDRN Cc1n[nH]cc1CN(C)c1ccc(OC(C)C)cc1 ZINC000192036857 375692263 /nfs/dbraw/zinc/69/22/63/375692263.db2.gz VBDZCFORYGUVKP-UHFFFAOYSA-N 0 0 259.353 3.142 20 10 CGCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000528822538 375911306 /nfs/dbraw/zinc/91/13/06/375911306.db2.gz BCAMOYRLTGAIRY-LBPRGKRZSA-N 0 0 273.332 3.137 20 10 CGCDRN C[C@H](CO)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230159415 376491770 /nfs/dbraw/zinc/49/17/70/376491770.db2.gz UCWLVRTUCSTXOO-VIFPVBQESA-N 0 0 292.206 3.197 20 10 CGCDRN C[C@H]1CC/C(=C\C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000267822924 378045141 /nfs/dbraw/zinc/04/51/41/378045141.db2.gz AECBZHMHMAJYNV-JMRXEAOASA-N 0 0 272.392 3.115 20 10 CGCDRN COc1ccc(N(C)CCC(F)(F)F)cc1F ZINC000268233649 378050262 /nfs/dbraw/zinc/05/02/62/378050262.db2.gz ZETMGVJBEIZAOM-UHFFFAOYSA-N 0 0 251.223 3.223 20 10 CGCDRN Nc1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000269136601 378192594 /nfs/dbraw/zinc/19/25/94/378192594.db2.gz RMEHNEYQDNIMSF-FUHWJXTLSA-N 0 0 278.355 3.111 20 10 CGCDRN C[C@@H](c1cccnc1)N1CCOc2cc(N(C)C)ccc21 ZINC000271722128 378503347 /nfs/dbraw/zinc/50/33/47/378503347.db2.gz ROIKAQOEJHFEDM-ZDUSSCGKSA-N 0 0 283.375 3.108 20 10 CGCDRN CO[C@H](C)c1nc(CNCc2cccc(C)c2O)cs1 ZINC000271797174 378504659 /nfs/dbraw/zinc/50/46/59/378504659.db2.gz IFFKUNBVTCJYEZ-LLVKDONJSA-N 0 0 292.404 3.154 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c(O)c1 ZINC000273386355 378744036 /nfs/dbraw/zinc/74/40/36/378744036.db2.gz CTGVANMEXDDZQU-WBVHZDCISA-N 0 0 299.414 3.345 20 10 CGCDRN CSC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273557753 378752652 /nfs/dbraw/zinc/75/26/52/378752652.db2.gz HGNNACWZQNOUTC-VIFPVBQESA-N 0 0 284.381 3.093 20 10 CGCDRN COc1ccc(O)c(CN2CCC[C@@H]2c2cc(C)on2)c1 ZINC000375014553 379484136 /nfs/dbraw/zinc/48/41/36/379484136.db2.gz AXDSCDHVBLFURU-OAHLLOKOSA-N 0 0 288.347 3.034 20 10 CGCDRN Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000280648175 379755193 /nfs/dbraw/zinc/75/51/93/379755193.db2.gz NJJRBWDLBKJPGD-CYBMUJFWSA-N 0 0 297.354 3.036 20 10 CGCDRN COCC1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000283968663 380110980 /nfs/dbraw/zinc/11/09/80/380110980.db2.gz LBOPTHBDOUJULY-UHFFFAOYSA-N 0 0 290.190 3.358 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000286141261 380165209 /nfs/dbraw/zinc/16/52/09/380165209.db2.gz OYSCGIQKCIGEQP-AAEUAGOBSA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000286028044 380159085 /nfs/dbraw/zinc/15/90/85/380159085.db2.gz KBJWJJHGQXMDHN-UGFHNGPFSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(F)cc1[O-] ZINC000286028750 380159270 /nfs/dbraw/zinc/15/92/70/380159270.db2.gz JAMYRQGJWGHUIN-GXTWGEPZSA-N 0 0 267.344 3.141 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1ccc3c(c1)CCO3)CC2 ZINC000296933074 285396759 /nfs/dbraw/zinc/39/67/59/285396759.db2.gz QBLMSKWNXKGMNH-AWEZNQCLSA-N 0 0 267.328 3.427 20 10 CGCDRN COc1cccc(CNC(=O)c2cc(C)c(C)s2)c1O ZINC000105652841 392294042 /nfs/dbraw/zinc/29/40/42/392294042.db2.gz YNXBNIXJNUOAOR-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000286215117 392378692 /nfs/dbraw/zinc/37/86/92/392378692.db2.gz SETRQCVQLRCDLV-IAQYHMDHSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc(Cl)c1[O-] ZINC000286943738 392390972 /nfs/dbraw/zinc/39/09/72/392390972.db2.gz MHQVNWDUNMHKEQ-CYBMUJFWSA-N 0 0 284.831 3.427 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000132951776 392462302 /nfs/dbraw/zinc/46/23/02/392462302.db2.gz QNYMPHAQWHPVLG-LLVKDONJSA-N 0 0 290.190 3.310 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CCCCCCC2)cc1OC ZINC000301929036 392603897 /nfs/dbraw/zinc/60/38/97/392603897.db2.gz NPXXXUYICYWVID-UHFFFAOYSA-N 0 0 294.351 3.383 20 10 CGCDRN CN(C)c1ccc(CNc2noc(-c3ccccc3)n2)cc1 ZINC000302088683 392609047 /nfs/dbraw/zinc/60/90/47/392609047.db2.gz FXCLDOYXRSLVOZ-UHFFFAOYSA-N 0 0 294.358 3.415 20 10 CGCDRN COc1cc(N(C)[C@H]2C=CCCC2)cc(OC)c1OC ZINC000172895527 392622518 /nfs/dbraw/zinc/62/25/18/392622518.db2.gz GHTPVKBCCKPDCO-LBPRGKRZSA-N 0 0 277.364 3.257 20 10 CGCDRN Oc1ccc(F)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC000374891065 392713969 /nfs/dbraw/zinc/71/39/69/392713969.db2.gz FRPNVEXHJGYUIZ-MRXNPFEDSA-N 0 0 287.334 3.105 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C)CCCC1 ZINC000356004126 393350618 /nfs/dbraw/zinc/35/06/18/393350618.db2.gz ROEQKZWVJVMUJX-UHFFFAOYSA-N 0 0 288.391 3.058 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000286265254 397671461 /nfs/dbraw/zinc/67/14/61/397671461.db2.gz VCJFDSSZVWWRJD-DZGCQCFKSA-N 0 0 295.379 3.367 20 10 CGCDRN CCOC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000276547965 286140323 /nfs/dbraw/zinc/14/03/23/286140323.db2.gz FAEAYETYWRIHBL-SMDDNHRTSA-N 0 0 296.367 3.012 20 10 CGCDRN Cc1ccc2c(c1)N(Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000679583708 543650019 /nfs/dbraw/zinc/65/00/19/543650019.db2.gz ZOTMARZSKNPXTA-UHFFFAOYSA-N 0 0 290.370 3.343 20 10 CGCDRN C/C=C/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028336594 260135552 /nfs/dbraw/zinc/13/55/52/260135552.db2.gz CCJDMWQQYFVBIJ-AOGGBPEJSA-N 0 0 270.376 3.035 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000051992128 260209907 /nfs/dbraw/zinc/20/99/07/260209907.db2.gz XERHDRRYQARZLK-NWDGAFQWSA-N 0 0 290.190 3.092 20 10 CGCDRN COc1cccc(CNC(=O)c2c(C)cc(C)cc2C)c1O ZINC000153845129 261083913 /nfs/dbraw/zinc/08/39/13/261083913.db2.gz VAIORQTWAXWHTI-UHFFFAOYSA-N 0 0 299.370 3.256 20 10 CGCDRN Cn1ccnc1CSc1ncc(C(C)(C)C)s1 ZINC000164198856 261344205 /nfs/dbraw/zinc/34/42/05/261344205.db2.gz VVBBKIPDCFITMZ-UHFFFAOYSA-N 0 0 267.423 3.466 20 10 CGCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000175225136 261599948 /nfs/dbraw/zinc/59/99/48/261599948.db2.gz PVZJFHIVMRBPOI-UHFFFAOYSA-N 0 0 299.418 3.004 20 10 CGCDRN C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186392034 262091233 /nfs/dbraw/zinc/09/12/33/262091233.db2.gz VENLMGNEBBPGDH-IIANPFDCSA-N 0 0 291.391 3.137 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(N(C)C)cc2C)c1 ZINC000057667785 262349180 /nfs/dbraw/zinc/34/91/80/262349180.db2.gz ANFDLFXUGZZAKC-UHFFFAOYSA-N 0 0 286.375 3.387 20 10 CGCDRN CCCc1csc(NC(=O)NCc2ccccc2O)n1 ZINC000272061137 263002073 /nfs/dbraw/zinc/00/20/73/263002073.db2.gz NJSOQBXBPXNNIL-UHFFFAOYSA-N 0 0 291.376 3.123 20 10 CGCDRN C[C@@]1([NH2+]Cc2cccc(Cl)c2[O-])CCO[C@H]1C1CC1 ZINC000273199535 263013983 /nfs/dbraw/zinc/01/39/83/263013983.db2.gz RFNGALPDCVUUDN-LSDHHAIUSA-N 0 0 281.783 3.093 20 10 CGCDRN Cc1ccc(C)c(NC(=O)COc2ccc(N(C)C)cc2)c1 ZINC000289311878 263108970 /nfs/dbraw/zinc/10/89/70/263108970.db2.gz BHTQUTXSLNZFEK-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000289756043 263111842 /nfs/dbraw/zinc/11/18/42/263111842.db2.gz QWBQZHVEABDHLM-OCCSQVGLSA-N 0 0 281.371 3.047 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccc(C2CCC2)cn1 ZINC000296956833 263198764 /nfs/dbraw/zinc/19/87/64/263198764.db2.gz KACCLLPPAXDFCF-UHFFFAOYSA-N 0 0 297.358 3.376 20 10 CGCDRN Cc1ccccc1C[C@H](C)NC(=O)NCc1ccccc1O ZINC000299560136 263247587 /nfs/dbraw/zinc/24/75/87/263247587.db2.gz ZMNSWDNAJSJHMJ-AWEZNQCLSA-N 0 0 298.386 3.131 20 10 CGCDRN CC[C@H]([NH2+]CCC(C)(C)O)c1cccc(Cl)c1[O-] ZINC000287601267 288038525 /nfs/dbraw/zinc/03/85/25/288038525.db2.gz IOWFSNQDSZFREN-LBPRGKRZSA-N 0 0 271.788 3.247 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287731504 288043895 /nfs/dbraw/zinc/04/38/95/288043895.db2.gz PDHRGZPTAJTSCA-VHSXEESVSA-N 0 0 297.704 3.010 20 10 CGCDRN CC[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000159063610 327636554 /nfs/dbraw/zinc/63/65/54/327636554.db2.gz RIXVUVVKVBQYIO-CQSZACIVSA-N 0 0 299.370 3.298 20 10 CGCDRN CC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000179066786 327798428 /nfs/dbraw/zinc/79/84/28/327798428.db2.gz KLJCTCWBMAXAGZ-UHFFFAOYSA-N 0 0 287.338 3.101 20 10 CGCDRN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(F)cc2O)s1 ZINC000274262700 327980030 /nfs/dbraw/zinc/98/00/30/327980030.db2.gz VCCUMNJFAPYGAX-YUMQZZPRSA-N 0 0 281.356 3.103 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(F)cc1[O-] ZINC000285511907 328247803 /nfs/dbraw/zinc/24/78/03/328247803.db2.gz ARYBRQIMLVIVSR-INIZCTEOSA-N 0 0 289.350 3.265 20 10 CGCDRN Cc1sccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000294587624 328281797 /nfs/dbraw/zinc/28/17/97/328281797.db2.gz YHEHZABPDCEGIW-UHFFFAOYSA-N 0 0 274.389 3.053 20 10 CGCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccc(F)c(F)c1 ZINC000255320701 326964327 /nfs/dbraw/zinc/96/43/27/326964327.db2.gz VDNFRICTYCCRJN-YVMONPNESA-N 0 0 288.297 3.426 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3cncn3C)cc12 ZINC000421186702 329806887 /nfs/dbraw/zinc/80/68/87/329806887.db2.gz FIMRNEFDAXQUFU-UHFFFAOYSA-N 0 0 269.348 3.108 20 10 CGCDRN CN(C(=O)/C=C\c1cnccn1)c1ccc2ccccc2c1 ZINC000491167723 332160559 /nfs/dbraw/zinc/16/05/59/332160559.db2.gz LPTMCBGJWBZNBQ-CLFYSBASSA-N 0 0 289.338 3.306 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(F)c(F)c1 ZINC000186251506 333157448 /nfs/dbraw/zinc/15/74/48/333157448.db2.gz WGHMMBQPWUIAJT-AATRIKPKSA-N 0 0 294.326 3.406 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2c1cccc2F ZINC000187079832 333167619 /nfs/dbraw/zinc/16/76/19/333167619.db2.gz XNPJMZYPDXFXJC-AATRIKPKSA-N 0 0 288.347 3.193 20 10 CGCDRN COc1cccc2c1N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000073725216 333977076 /nfs/dbraw/zinc/97/70/76/333977076.db2.gz CTPXGGJWRIRZKC-MDZDMXLPSA-N 0 0 294.354 3.083 20 10 CGCDRN CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000276650193 521652218 /nfs/dbraw/zinc/65/22/18/521652218.db2.gz MIJBHQNJUWYAOU-LLVKDONJSA-N 0 0 269.360 3.123 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cncc(Cl)n2)c1 ZINC000302843176 534202368 /nfs/dbraw/zinc/20/23/68/534202368.db2.gz FBUCIRRZELCMQG-MRVPVSSYSA-N 0 0 279.727 3.017 20 10 CGCDRN CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000128687937 519433417 /nfs/dbraw/zinc/43/34/17/519433417.db2.gz MYXAZWAZXXBART-GFCCVEGCSA-N 0 0 298.386 3.192 20 10 CGCDRN CC(C)[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000299464757 519811648 /nfs/dbraw/zinc/81/16/48/519811648.db2.gz YUUOWZTTZQYLMJ-LBPRGKRZSA-N 0 0 295.402 3.078 20 10 CGCDRN CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1(CO)CCC1 ZINC000292694175 519820864 /nfs/dbraw/zinc/82/08/64/519820864.db2.gz BQHCGPDEPWKLTJ-HNNXBMFYSA-N 0 0 297.826 3.322 20 10 CGCDRN CC(C)c1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000040675642 519835092 /nfs/dbraw/zinc/83/50/92/519835092.db2.gz WPUHJYXCYSJAKM-UHFFFAOYSA-N 0 0 282.387 3.365 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)C(C)(F)F ZINC000293369212 521689501 /nfs/dbraw/zinc/68/95/01/521689501.db2.gz LYZYSUSFAMZURU-NSHDSACASA-N 0 0 285.334 3.422 20 10 CGCDRN COC(=O)c1cnc(S[C@H](C)c2cccnc2)s1 ZINC000295276924 522341712 /nfs/dbraw/zinc/34/17/12/522341712.db2.gz KCXVQMZPMDIUMY-MRVPVSSYSA-N 0 0 280.374 3.178 20 10 CGCDRN CCn1cc(N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000037261138 523438761 /nfs/dbraw/zinc/43/87/61/523438761.db2.gz YRITWWANWSVASW-GFCCVEGCSA-N 0 0 258.369 3.142 20 10 CGCDRN Cc1cc(C)nc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000126729058 524582296 /nfs/dbraw/zinc/58/22/96/524582296.db2.gz HYEQWWLGYUWHCW-UHFFFAOYSA-N 0 0 285.347 3.068 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ccccc2[N+](=O)[O-])c1 ZINC000037058967 524775754 /nfs/dbraw/zinc/77/57/54/524775754.db2.gz SJYKUFSBZWTDHP-JTQLQIEISA-N 0 0 288.303 3.482 20 10 CGCDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(N)cc1 ZINC000262657569 525288398 /nfs/dbraw/zinc/28/83/98/525288398.db2.gz XPZGTGUIISZXJO-RHSMWYFYSA-N 0 0 294.398 3.216 20 10 CGCDRN C[C@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO[C@@H]1C1CC1 ZINC000365129944 525296014 /nfs/dbraw/zinc/29/60/14/525296014.db2.gz AMFXRXMNNKMEOS-CABCVRRESA-N 0 0 299.773 3.232 20 10 CGCDRN Cc1ccccc1[C@@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000237447173 525343774 /nfs/dbraw/zinc/34/37/74/525343774.db2.gz QCDQSLRHBPICIT-HNNXBMFYSA-N 0 0 296.414 3.430 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)cc1[O-] ZINC000062744991 525497995 /nfs/dbraw/zinc/49/79/95/525497995.db2.gz VNYZMEMQFCCXHV-BXUZGUMPSA-N 0 0 292.354 3.078 20 10 CGCDRN Cc1ccc(C(C)(C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000237632633 526242462 /nfs/dbraw/zinc/24/24/62/526242462.db2.gz ZDTMXFAZJUGKDP-UHFFFAOYSA-N 0 0 296.414 3.214 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000237909913 527478439 /nfs/dbraw/zinc/47/84/39/527478439.db2.gz WCECLRGRRVUDFF-LJQANCHMSA-N 0 0 294.398 3.469 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1cc(F)ccc1O ZINC000094616897 527651106 /nfs/dbraw/zinc/65/11/06/527651106.db2.gz YDWQRBLBBUPNTP-QMMMGPOBSA-N 0 0 263.316 3.055 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C(C)C ZINC000738463860 571774510 /nfs/dbraw/zinc/77/45/10/571774510.db2.gz QMRXEOYYUCFFBB-CYBMUJFWSA-N 0 0 291.391 3.121 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000728985688 571852300 /nfs/dbraw/zinc/85/23/00/571852300.db2.gz ZYJMUVDSTATIAE-LBPRGKRZSA-N 0 0 285.343 3.200 20 10 CGCDRN CCCN(CCC)C(=O)CN(CC)c1ccc(OC)cc1 ZINC000729473513 571920523 /nfs/dbraw/zinc/92/05/23/571920523.db2.gz IEYPNKFKJFZZRH-UHFFFAOYSA-N 0 0 292.423 3.170 20 10 CGCDRN CCc1ccc(NC(=S)NCc2cccn2C)cc1 ZINC000743061175 572393343 /nfs/dbraw/zinc/39/33/43/572393343.db2.gz FELAWAJXWXRYRR-UHFFFAOYSA-N 0 0 273.405 3.074 20 10 CGCDRN CCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731863919 572430011 /nfs/dbraw/zinc/43/00/11/572430011.db2.gz 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CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C)cc1 ZINC000175641465 624653349 /nfs/dbraw/zinc/65/33/49/624653349.db2.gz NPHAMTIIZXUHNA-CQSZACIVSA-N 0 0 289.423 3.227 20 10 CGCDRN Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000238139283 624740064 /nfs/dbraw/zinc/74/00/64/624740064.db2.gz VYHSPHSLIFZQEL-UHFFFAOYSA-N 0 0 274.751 3.494 20 10 CGCDRN CC(=O)Nc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000180761054 624769886 /nfs/dbraw/zinc/76/98/86/624769886.db2.gz ALXROEYDMYVTPL-UHFFFAOYSA-N 0 0 298.342 3.010 20 10 CGCDRN CC[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181115354 624810168 /nfs/dbraw/zinc/81/01/68/624810168.db2.gz UQFNBHVLZNHADX-ODAKQPGBSA-N 0 0 289.375 3.196 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000183550548 625092860 /nfs/dbraw/zinc/09/28/60/625092860.db2.gz CJAJWEGOSNJAHQ-CYBMUJFWSA-N 0 0 269.344 3.154 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)OCC1CC1 ZINC000184333666 625222096 /nfs/dbraw/zinc/22/20/96/625222096.db2.gz NSRMKBLAKJZTEO-UHFFFAOYSA-N 0 0 276.380 3.121 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cnn(CC3CC3)c2)c1 ZINC000186358151 625795254 /nfs/dbraw/zinc/79/52/54/625795254.db2.gz IUWWISSNNHRMJC-LBPRGKRZSA-N 0 0 271.364 3.480 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(CC3CC3)c2)c1 ZINC000186358308 625796284 /nfs/dbraw/zinc/79/62/84/625796284.db2.gz UTLMJFSIEQXECG-LLVKDONJSA-N 0 0 287.363 3.180 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc[nH]1 ZINC000074122926 626115034 /nfs/dbraw/zinc/11/50/34/626115034.db2.gz ZVPMHYRZRZWDBB-UHFFFAOYSA-N 0 0 299.399 3.414 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCOc1ccccc1 ZINC000124662703 634478230 /nfs/dbraw/zinc/47/82/30/634478230.db2.gz WDXVKHMIVUXVSI-UHFFFAOYSA-N 0 0 277.751 3.214 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CC=CCC2)cc1 ZINC000929402740 626165246 /nfs/dbraw/zinc/16/52/46/626165246.db2.gz DKXBRNMGNVUXCP-AWEZNQCLSA-N 0 0 272.392 3.115 20 10 CGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000838651341 626240986 /nfs/dbraw/zinc/24/09/86/626240986.db2.gz ZPBIBMBTSSQBGI-UONOGXRCSA-N 0 0 290.407 3.360 20 10 CGCDRN CCN(CC)c1ccc(CN2CC(C(F)F)C2)cc1F ZINC000839140832 626323254 /nfs/dbraw/zinc/32/32/54/626323254.db2.gz ITFPGSCZNAHIAI-UHFFFAOYSA-N 0 0 286.341 3.369 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])nc1C ZINC000839164521 626323360 /nfs/dbraw/zinc/32/33/60/626323360.db2.gz WGZVXSPWISKTNQ-UHFFFAOYSA-N 0 0 294.757 3.486 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C12CCC2 ZINC000839180366 626326547 /nfs/dbraw/zinc/32/65/47/626326547.db2.gz CLEAVHISBRNRHJ-CHWSQXEVSA-N 0 0 299.773 3.232 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839187048 626327494 /nfs/dbraw/zinc/32/74/94/626327494.db2.gz ZSWASQAVEBKUPB-CDMKHQONSA-N 0 0 296.208 3.433 20 10 CGCDRN CS/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000751565177 626396339 /nfs/dbraw/zinc/39/63/39/626396339.db2.gz VENLBDWGGIIPAZ-KHPPLWFESA-N 0 0 290.432 3.120 20 10 CGCDRN CC(C)CSCCCOC(=O)C1=CC(=O)CS1 ZINC000751716442 626401782 /nfs/dbraw/zinc/40/17/82/626401782.db2.gz XKHXYXGQRHAWBD-UHFFFAOYSA-N 0 0 274.407 3.390 20 10 CGCDRN Cn1cc(/C=C\C(=O)N(CC2CCC2)c2ccccc2)cn1 ZINC000752479361 626429350 /nfs/dbraw/zinc/42/93/50/626429350.db2.gz KWFFMEVOZDIZRX-KHPPLWFESA-N 0 0 295.386 3.267 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000753024301 626444060 /nfs/dbraw/zinc/44/40/60/626444060.db2.gz BQJJMNDWBNSWRU-HOSRBBHYSA-N 0 0 289.375 3.006 20 10 CGCDRN CO[C@@H]1Cc2ccc(NCc3cccc(C)c3O)cc2C1 ZINC000753576812 626456260 /nfs/dbraw/zinc/45/62/60/626456260.db2.gz RUJPEWQXICRGIA-QGZVFWFLSA-N 0 0 283.371 3.426 20 10 CGCDRN C=COCCOC(=O)c1sccc1-n1c(C)ccc1C ZINC000755775316 626646068 /nfs/dbraw/zinc/64/60/68/626646068.db2.gz YEWPFFAOXGXGIA-UHFFFAOYSA-N 0 0 291.372 3.473 20 10 CGCDRN CC(C)COCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756359623 626696516 /nfs/dbraw/zinc/69/65/16/626696516.db2.gz PHPPALHQAISBEA-LLVKDONJSA-N 0 0 287.350 3.384 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756531841 626712340 /nfs/dbraw/zinc/71/23/40/626712340.db2.gz BFKXBFPGBMVJJM-MEBBXXQBSA-N 0 0 299.361 3.262 20 10 CGCDRN Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])cn2c1 ZINC000756531999 626712489 /nfs/dbraw/zinc/71/24/89/626712489.db2.gz CLXKXKFJMFEEKH-LBPRGKRZSA-N 0 0 299.349 3.338 20 10 CGCDRN CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1C ZINC000756533568 626713229 /nfs/dbraw/zinc/71/32/29/626713229.db2.gz DWUMAVGOQKYLLA-SNVBAGLBSA-N 0 0 291.370 3.215 20 10 CGCDRN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534806 626713289 /nfs/dbraw/zinc/71/32/89/626713289.db2.gz OURLUIUEZWCFBZ-IUCAKERBSA-N 0 0 295.333 3.124 20 10 CGCDRN CCN1CCCC[C@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756564473 626715900 /nfs/dbraw/zinc/71/59/00/626715900.db2.gz SSXZZWJGQOWYAZ-YPMHNXCESA-N 0 0 298.377 3.195 20 10 CGCDRN CSC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756585962 626718623 /nfs/dbraw/zinc/71/86/23/626718623.db2.gz PDCMIXUUWULPOY-SFYZADRCSA-N 0 0 261.337 3.073 20 10 CGCDRN CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000756624087 626721390 /nfs/dbraw/zinc/72/13/90/626721390.db2.gz DHAZLZPKFOVNDP-QMTHXVAHSA-N 0 0 296.367 3.012 20 10 CGCDRN C[C@H]([NH2+]CCc1cscn1)c1cc(F)cc(F)c1[O-] ZINC000756660128 626725108 /nfs/dbraw/zinc/72/51/08/626725108.db2.gz IJNKIEADHUMULR-QMMMGPOBSA-N 0 0 284.331 3.020 20 10 CGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(F)c2)c1 ZINC000756795155 626733349 /nfs/dbraw/zinc/73/33/49/626733349.db2.gz IKPUPFJGTJXAPO-SNVBAGLBSA-N 0 0 289.306 3.491 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](C)c1cc(F)cc(F)c1O ZINC000756873678 626739062 /nfs/dbraw/zinc/73/90/62/626739062.db2.gz IQLZFEOZYOTLQO-QMMMGPOBSA-N 0 0 281.306 3.139 20 10 CGCDRN CCOc1ncccc1NCc1cccc(C)c1O ZINC000124861915 634522071 /nfs/dbraw/zinc/52/20/71/634522071.db2.gz LCLVXNXJFBCCSA-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)nc1C ZINC000839682262 626778715 /nfs/dbraw/zinc/77/87/15/626778715.db2.gz BLWDONGFAIDLPK-UHFFFAOYSA-N 0 0 297.402 3.003 20 10 CGCDRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874179679 634523038 /nfs/dbraw/zinc/52/30/38/634523038.db2.gz CRYYGRGWDCPQMD-NXEZZACHSA-N 0 0 276.340 3.013 20 10 CGCDRN COc1ccc(N(C)CCn2nc(C)cc2C)cc1Cl ZINC000757856472 626810625 /nfs/dbraw/zinc/81/06/25/626810625.db2.gz BHDCYDZFXRCOPY-UHFFFAOYSA-N 0 0 293.798 3.298 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC2(Cl)Cl)cc1F ZINC000758143418 626830524 /nfs/dbraw/zinc/83/05/24/626830524.db2.gz WUTZDUIJSBINGT-MRVPVSSYSA-N 0 0 278.154 3.464 20 10 CGCDRN O=C(OCCC(Cl)(Cl)Cl)c1cccc(O)c1O ZINC000758562249 626849516 /nfs/dbraw/zinc/84/95/16/626849516.db2.gz RXQJJFDXQHAKEU-UHFFFAOYSA-N 0 0 299.537 3.015 20 10 CGCDRN CCC(=CC(=O)NCCCSc1nccs1)CC ZINC000759212456 626881564 /nfs/dbraw/zinc/88/15/64/626881564.db2.gz FNYCDCXWOYXHJX-UHFFFAOYSA-N 0 0 284.450 3.488 20 10 CGCDRN CC(C)C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000759347995 626890207 /nfs/dbraw/zinc/89/02/07/626890207.db2.gz WKARHILVCVUHMT-NSHDSACASA-N 0 0 267.394 3.352 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760042164 626937825 /nfs/dbraw/zinc/93/78/25/626937825.db2.gz TYZARXRSEOHBIC-IINYFYTJSA-N 0 0 276.336 3.284 20 10 CGCDRN CC(C)(C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000839792132 626970871 /nfs/dbraw/zinc/97/08/71/626970871.db2.gz KWUMYKKWSZSAIG-SNVBAGLBSA-N 0 0 295.354 3.135 20 10 CGCDRN CC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000760461872 626972376 /nfs/dbraw/zinc/97/23/76/626972376.db2.gz FWZJQTGCHXBMPP-UHFFFAOYSA-N 0 0 272.392 3.093 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C)cn2)cc1Cl ZINC000760846930 626996334 /nfs/dbraw/zinc/99/63/34/626996334.db2.gz JDOVKMWXTOQXMN-UHFFFAOYSA-N 0 0 277.755 3.083 20 10 CGCDRN O=C(C=C1CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000762813116 627125849 /nfs/dbraw/zinc/12/58/49/627125849.db2.gz NUIFELCYKILDPD-UHFFFAOYSA-N 0 0 285.387 3.388 20 10 CGCDRN COc1ccc(N(C)C/C(Cl)=C/Cl)cc1OC ZINC000763503739 627161540 /nfs/dbraw/zinc/16/15/40/627161540.db2.gz VYCRBEFKKZZSFP-CLFYSBASSA-N 0 0 276.163 3.459 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763721309 627174535 /nfs/dbraw/zinc/17/45/35/627174535.db2.gz DVNWROCGQGPYSA-HNNXBMFYSA-N 0 0 289.375 3.007 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1=CCCC1 ZINC000764396402 627205710 /nfs/dbraw/zinc/20/57/10/627205710.db2.gz PEXJTHLKZXLNMS-UHFFFAOYSA-N 0 0 259.349 3.241 20 10 CGCDRN Oc1ccccc1CNc1ncnc2c(F)cccc12 ZINC000764803760 627225446 /nfs/dbraw/zinc/22/54/46/627225446.db2.gz DIUJSSVVVCHDOZ-UHFFFAOYSA-N 0 0 269.279 3.087 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CCCCO1 ZINC000766270729 627309014 /nfs/dbraw/zinc/30/90/14/627309014.db2.gz LAZLOLOFARRMPT-MRXNPFEDSA-N 0 0 275.392 3.407 20 10 CGCDRN COc1ccc(N(Cc2cc(C)n(C)n2)CC(C)C)cc1 ZINC000767889880 627441598 /nfs/dbraw/zinc/44/15/98/627441598.db2.gz MXZPVXROTWQWHQ-UHFFFAOYSA-N 0 0 287.407 3.400 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCCCCC2)c1[O-] ZINC000768138500 627462983 /nfs/dbraw/zinc/46/29/83/627462983.db2.gz MEXHHEPITFJBJC-UHFFFAOYSA-N 0 0 284.743 3.330 20 10 CGCDRN CC(C)CC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768261618 627471947 /nfs/dbraw/zinc/47/19/47/627471947.db2.gz FLWDZSMRRFSLJC-UHFFFAOYSA-N 0 0 286.759 3.432 20 10 CGCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000768317216 627473598 /nfs/dbraw/zinc/47/35/98/627473598.db2.gz HADOUJNJDYIFMR-CYBMUJFWSA-N 0 0 263.381 3.411 20 10 CGCDRN CN(C)c1ccc(CN2Cc3ccccc3C2)cc1F ZINC000769336938 627543859 /nfs/dbraw/zinc/54/38/59/627543859.db2.gz DXLGMODVWZXXBK-UHFFFAOYSA-N 0 0 270.351 3.408 20 10 CGCDRN CC(C)C[C@@H]1COCCN1Cc1c(O)cccc1Cl ZINC000769397548 627548524 /nfs/dbraw/zinc/54/85/24/627548524.db2.gz FFAYYPBDLOLUSQ-GFCCVEGCSA-N 0 0 283.799 3.293 20 10 CGCDRN CCc1cnc(CN(C)Cc2c(O)cccc2OC)s1 ZINC000769523573 627562522 /nfs/dbraw/zinc/56/25/22/627562522.db2.gz FOMNATDQJSLCBB-UHFFFAOYSA-N 0 0 292.404 3.052 20 10 CGCDRN CCN(CCO[C@H]1CCCCO1)c1ccc(OC)cc1 ZINC000769746941 627576120 /nfs/dbraw/zinc/57/61/20/627576120.db2.gz MNXSGHKZNHDOOA-INIZCTEOSA-N 0 0 279.380 3.065 20 10 CGCDRN CN(C)c1ccc(CNCc2ncc(Cl)s2)cc1F ZINC000769911284 627588490 /nfs/dbraw/zinc/58/84/90/627588490.db2.gz ZVGMGWICFVDYKT-UHFFFAOYSA-N 0 0 299.802 3.291 20 10 CGCDRN COc1c(F)cc(F)cc1NCc1ccccc1O ZINC000770562934 627626561 /nfs/dbraw/zinc/62/65/61/627626561.db2.gz IHQCYAFOCAPSLV-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN CC[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)cc1 ZINC000771706629 627728353 /nfs/dbraw/zinc/72/83/53/627728353.db2.gz QKFWNGQAFZMWHS-DZGCQCFKSA-N 0 0 289.423 3.225 20 10 CGCDRN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(N(C)C)cc1 ZINC000772296792 627783037 /nfs/dbraw/zinc/78/30/37/627783037.db2.gz LGFGCXZGKDHISQ-LLVKDONJSA-N 0 0 286.335 3.229 20 10 CGCDRN C[C@@H](NC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000772996293 627838830 /nfs/dbraw/zinc/83/88/30/627838830.db2.gz CTVFPIUAPKZNLD-CYBMUJFWSA-N 0 0 268.360 3.244 20 10 CGCDRN C[C@H](NC(=O)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000772999085 627839584 /nfs/dbraw/zinc/83/95/84/627839584.db2.gz LDHJRLFQXRCTMJ-LBPRGKRZSA-N 0 0 260.381 3.120 20 10 CGCDRN C[C@H](NC(=O)C(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000773010270 627841405 /nfs/dbraw/zinc/84/14/05/627841405.db2.gz NQKNRKGYJUOQDZ-LBPRGKRZSA-N 0 0 286.419 3.366 20 10 CGCDRN C[C@@H](NC(=O)N1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773616452 627900667 /nfs/dbraw/zinc/90/06/67/627900667.db2.gz KTPVPRAOURJZAE-UONOGXRCSA-N 0 0 289.423 3.398 20 10 CGCDRN CCN(C)c1ccc(CN[C@@H](COC)c2ccco2)cc1 ZINC000773838377 627919469 /nfs/dbraw/zinc/91/94/69/627919469.db2.gz MWSNKEBVMCXBAJ-INIZCTEOSA-N 0 0 288.391 3.213 20 10 CGCDRN COC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774095103 627944619 /nfs/dbraw/zinc/94/46/19/627944619.db2.gz BRRHPJPYLLNTLD-HTQZYQBOSA-N 0 0 278.179 3.385 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CCOCC1 ZINC000775687815 628125820 /nfs/dbraw/zinc/12/58/20/628125820.db2.gz IPUFOFMWCGQCEZ-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN CCOc1ccc(CNc2ncccc2C)c(O)c1 ZINC000776025131 628159573 /nfs/dbraw/zinc/15/95/73/628159573.db2.gz VWYONVOAJWOZMR-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN Cc1occc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776038603 628160927 /nfs/dbraw/zinc/16/09/27/628160927.db2.gz IUUFENOFIIPZFD-UHFFFAOYSA-N 0 0 269.703 3.376 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000776213056 628180605 /nfs/dbraw/zinc/18/06/05/628180605.db2.gz PJMLUCCZKOXPMP-UHFFFAOYSA-N 0 0 281.714 3.180 20 10 CGCDRN COc1cc(C)c(NC(=O)C2=CC(=O)CS2)cc1F ZINC000776257478 628186460 /nfs/dbraw/zinc/18/64/60/628186460.db2.gz WWVSJAABZWNUGV-UHFFFAOYSA-N 0 0 281.308 3.162 20 10 CGCDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C1=CC(=O)CS1 ZINC000776266945 628186671 /nfs/dbraw/zinc/18/66/71/628186671.db2.gz YBLVWZGZWJSQLJ-VXNVDRBHSA-N 0 0 293.310 3.257 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776324647 628193246 /nfs/dbraw/zinc/19/32/46/628193246.db2.gz OEUMFLRERLWXKY-TZMCWYRMSA-N 0 0 274.408 3.113 20 10 CGCDRN CC(C)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000776332403 628194690 /nfs/dbraw/zinc/19/46/90/628194690.db2.gz DKCVIBFDZUIYQS-OAHLLOKOSA-N 0 0 299.370 3.267 20 10 CGCDRN O=C(N[C@H](c1ccccc1)C1CCC1)c1cccc(O)c1O ZINC000776348983 628196078 /nfs/dbraw/zinc/19/60/78/628196078.db2.gz FFQBEOJQFRANKC-MRXNPFEDSA-N 0 0 297.354 3.369 20 10 CGCDRN COc1ccc2c(c1)N(Cc1cccc(C)c1O)C[C@H](C)O2 ZINC000776525637 628217077 /nfs/dbraw/zinc/21/70/77/628217077.db2.gz WNGPLLXVVFUXRJ-ZDUSSCGKSA-N 0 0 299.370 3.497 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C\c1scnc1C ZINC000776787786 628232442 /nfs/dbraw/zinc/23/24/42/628232442.db2.gz TZZLEDFOBLZBKV-HJWRWDBZSA-N 0 0 288.372 3.136 20 10 CGCDRN Cc1cc(C)c2c(c1)CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000777222334 628256714 /nfs/dbraw/zinc/25/67/14/628256714.db2.gz LYBGXXCDHVRSMK-UHFFFAOYSA-N 0 0 287.384 3.269 20 10 CGCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CCO1 ZINC000778513448 628353472 /nfs/dbraw/zinc/35/34/72/628353472.db2.gz BJWYMBCTCIRJNP-YPMHNXCESA-N 0 0 297.420 3.167 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1cccc(F)c1O)N2 ZINC000778526429 628354686 /nfs/dbraw/zinc/35/46/86/628354686.db2.gz TYIDKFYCWAHOFR-HNNXBMFYSA-N 0 0 286.306 3.036 20 10 CGCDRN CC(C)(C(=O)NCc1ccc(O)c(O)c1)C1CCCCC1 ZINC000778916477 628378117 /nfs/dbraw/zinc/37/81/17/628378117.db2.gz IKTUNUJNZXSBDU-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN O=C(/C=C/c1cncc(O)c1)N1CCCCc2ccccc21 ZINC000779662925 628419606 /nfs/dbraw/zinc/41/96/06/628419606.db2.gz DMOCRXGYBRDYIS-CMDGGOBGSA-N 0 0 294.354 3.170 20 10 CGCDRN CC1(C)CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC000779669013 628419841 /nfs/dbraw/zinc/41/98/41/628419841.db2.gz DHHIXQIWROKJQY-BQYQJAHWSA-N 0 0 294.354 3.125 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000780538309 628496789 /nfs/dbraw/zinc/49/67/89/628496789.db2.gz NNKRGZXQGKRBLS-MNOVXSKESA-N 0 0 299.465 3.113 20 10 CGCDRN CCOc1ccc(N(C)Cc2cccnc2C)cc1 ZINC000780773830 628516231 /nfs/dbraw/zinc/51/62/31/628516231.db2.gz COEZEKPSTRJRHY-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN COc1ccc(O)c(CN2CCCc3c(F)cccc32)c1 ZINC000780774006 628516343 /nfs/dbraw/zinc/51/63/43/628516343.db2.gz GGXLJKIPERRKQM-UHFFFAOYSA-N 0 0 287.334 3.493 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000780908464 628523498 /nfs/dbraw/zinc/52/34/98/628523498.db2.gz ZUAMIXQIQCUWPD-SNVBAGLBSA-N 0 0 291.372 3.267 20 10 CGCDRN Cc1ccc(C(=O)N(C)C[C@H](C)c2ccccc2)c(O)c1O ZINC000780925210 628524658 /nfs/dbraw/zinc/52/46/58/628524658.db2.gz AXKQJHYDZFGDGH-ZDUSSCGKSA-N 0 0 299.370 3.282 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CC[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000781616991 628579992 /nfs/dbraw/zinc/57/99/92/628579992.db2.gz QYHVNJDSFKLVAA-SWLSCSKDSA-N 0 0 297.402 3.408 20 10 CGCDRN C[C@H]1CC[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000782129515 628617250 /nfs/dbraw/zinc/61/72/50/628617250.db2.gz AKNJJENDUNXKQT-IINYFYTJSA-N 0 0 265.378 3.106 20 10 CGCDRN CN(C)c1ccc(CNc2cccc3c2OCO3)cc1 ZINC000782380724 628643174 /nfs/dbraw/zinc/64/31/74/628643174.db2.gz IJKQGAUBZSTWNH-UHFFFAOYSA-N 0 0 270.332 3.093 20 10 CGCDRN CCOC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000783313118 628703009 /nfs/dbraw/zinc/70/30/09/628703009.db2.gz NHDSGGCRCKBARF-VIFPVBQESA-N 0 0 273.323 3.136 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCOC1CCC1 ZINC000805747025 628720924 /nfs/dbraw/zinc/72/09/24/628720924.db2.gz PVAITHOQWLKLNT-UHFFFAOYSA-N 0 0 275.392 3.407 20 10 CGCDRN O=C(O[C@@H]1CCc2ccccc21)C1=CC(=O)CS1 ZINC000783607465 628730914 /nfs/dbraw/zinc/73/09/14/628730914.db2.gz HOKNHLHALFFCPZ-GFCCVEGCSA-N 0 0 260.314 3.298 20 10 CGCDRN O=C(O[C@H]1CCc2ccccc21)C1=CC(=O)CS1 ZINC000783607466 628731090 /nfs/dbraw/zinc/73/10/90/628731090.db2.gz HOKNHLHALFFCPZ-LBPRGKRZSA-N 0 0 260.314 3.298 20 10 CGCDRN Cc1ccc(C)c(N(C)Cc2cc3c(cc2O)OCO3)c1 ZINC000783668180 628737215 /nfs/dbraw/zinc/73/72/15/628737215.db2.gz NIXMBHARJDNHAI-UHFFFAOYSA-N 0 0 285.343 3.374 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnccc2C)cc1 ZINC000783953987 628759818 /nfs/dbraw/zinc/75/98/18/628759818.db2.gz MYOAZKCDVKDEEK-RMKNXTFCSA-N 0 0 266.344 3.375 20 10 CGCDRN CCN(C[C@@H]1CCO[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000785727095 628882413 /nfs/dbraw/zinc/88/24/13/628882413.db2.gz FLTUGEHALSARKA-ZIAGYGMSSA-N 0 0 293.407 3.345 20 10 CGCDRN C[C@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)CC1 ZINC000786005772 628907420 /nfs/dbraw/zinc/90/74/20/628907420.db2.gz XMRCEJDKMQXQCG-UWVGGRQHSA-N 0 0 253.367 3.152 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(F)cn1 ZINC000787163644 628997049 /nfs/dbraw/zinc/99/70/49/628997049.db2.gz WQIXDWRWVUVUIJ-UHFFFAOYSA-N 0 0 272.323 3.182 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(F)nc2C)cc1OC ZINC000787269484 629006470 /nfs/dbraw/zinc/00/64/70/629006470.db2.gz BWDKRWUHENXNEJ-UHFFFAOYSA-N 0 0 290.338 3.183 20 10 CGCDRN COc1c([O-])c(C[N@H+](C)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000787337699 629009126 /nfs/dbraw/zinc/00/91/26/629009126.db2.gz PHKKCURJKRTQOX-UHFFFAOYSA-N 0 0 294.351 3.074 20 10 CGCDRN CCNC(=O)Nc1cccc(NCc2ccccc2O)c1C ZINC000788528899 629062389 /nfs/dbraw/zinc/06/23/89/629062389.db2.gz JEJIRIDBQCQFAF-UHFFFAOYSA-N 0 0 299.374 3.454 20 10 CGCDRN CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788592397 629066663 /nfs/dbraw/zinc/06/66/63/629066663.db2.gz BXOGDQVZHBNISQ-NOZJJQNGSA-N 0 0 291.313 3.223 20 10 CGCDRN CC[C@@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788606315 629068886 /nfs/dbraw/zinc/06/88/86/629068886.db2.gz ZNQHUSONYDXMDO-ZJUUUORDSA-N 0 0 291.313 3.487 20 10 CGCDRN CCOc1ccc(N(CC)CCC[C@H](C)O)cc1 ZINC000789341748 629125331 /nfs/dbraw/zinc/12/53/31/629125331.db2.gz AKBLOSRMUFKQQB-ZDUSSCGKSA-N 0 0 251.370 3.073 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(Cl)cn1 ZINC000789558242 629145158 /nfs/dbraw/zinc/14/51/58/629145158.db2.gz NGEPVJMBBHPFFD-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN Cc1cnn(CCSc2ncc(-c3ccccc3)n2C)c1 ZINC000789895840 629173046 /nfs/dbraw/zinc/17/30/46/629173046.db2.gz LHOZEOBJKWWWDG-UHFFFAOYSA-N 0 0 298.415 3.384 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCSC1 ZINC000790486701 629213068 /nfs/dbraw/zinc/21/30/68/629213068.db2.gz ZHYVUQXEGVZHBT-QMMMGPOBSA-N 0 0 275.776 3.027 20 10 CGCDRN Cc1cccc([C@H](C)NC(=O)c2cccc(O)c2O)c1C ZINC000790727426 629226744 /nfs/dbraw/zinc/22/67/44/629226744.db2.gz VHNBZFQZFXVDDP-LBPRGKRZSA-N 0 0 285.343 3.206 20 10 CGCDRN CC(C)CN(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC000790748828 629227628 /nfs/dbraw/zinc/22/76/28/629227628.db2.gz CJTJLMGQNDYCHA-UHFFFAOYSA-N 0 0 299.370 3.396 20 10 CGCDRN C[C@H]1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790993746 629247996 /nfs/dbraw/zinc/24/79/96/629247996.db2.gz YKNHLFDZHQGXOM-IUCAKERBSA-N 0 0 257.736 3.463 20 10 CGCDRN COc1ccc(Cl)c(COC(=O)C2=CC(=O)CS2)c1 ZINC000791382092 629271277 /nfs/dbraw/zinc/27/12/77/629271277.db2.gz KPNCGOBZIQAYQZ-UHFFFAOYSA-N 0 0 298.747 3.473 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C3CC3)o2)cc1F ZINC000862306196 629342264 /nfs/dbraw/zinc/34/22/64/629342264.db2.gz GDIKHYMBSKEGPF-UHFFFAOYSA-N 0 0 276.311 3.336 20 10 CGCDRN CO[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@H]1C ZINC000792180382 629345468 /nfs/dbraw/zinc/34/54/68/629345468.db2.gz QZTPCWAXEPSXOM-NOZJJQNGSA-N 0 0 287.762 3.042 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(C)(F)C1 ZINC000792523787 629362998 /nfs/dbraw/zinc/36/29/98/629362998.db2.gz SKPMBVIEEXRNEW-UHFFFAOYSA-N 0 0 292.379 3.340 20 10 CGCDRN COc1ccc(N(C)CCCCCF)c(OC)c1 ZINC000792869541 629388762 /nfs/dbraw/zinc/38/87/62/629388762.db2.gz CTTCRCTYHGSMFQ-UHFFFAOYSA-N 0 0 255.333 3.280 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)CCC(F)F)C2CC2)cc1 ZINC000792983997 629399251 /nfs/dbraw/zinc/39/92/51/629399251.db2.gz HOZREYFIPNVKOK-UHFFFAOYSA-N 0 0 296.361 3.289 20 10 CGCDRN C/C(=C\C(C)(C)C)C(=O)NCc1cc(C)ccc1O ZINC000862757583 629429801 /nfs/dbraw/zinc/42/98/01/629429801.db2.gz ZFMBNSZSCSOUIE-FMIVXFBMSA-N 0 0 261.365 3.309 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCCOc2ccccc2)c1 ZINC000862761317 629431729 /nfs/dbraw/zinc/43/17/29/629431729.db2.gz NOSKGTWSJIBYNB-UHFFFAOYSA-N 0 0 299.370 3.176 20 10 CGCDRN CCC1(NC(=O)NCc2ccc(N(C)C)cc2)CCCC1 ZINC000836228078 634736129 /nfs/dbraw/zinc/73/61/29/634736129.db2.gz OYEOBXWWUTWGSM-UHFFFAOYSA-N 0 0 289.423 3.275 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000793607866 629490428 /nfs/dbraw/zinc/49/04/28/629490428.db2.gz DLYCRFMGMJFKFV-KGLIPLIRSA-N 0 0 299.773 3.328 20 10 CGCDRN C/C=C/CNC(=O)N(CCCC)Cc1ccccc1O ZINC000875876173 634743261 /nfs/dbraw/zinc/74/32/61/634743261.db2.gz NDLAERQSFFLKAL-HWKANZROSA-N 0 0 276.380 3.280 20 10 CGCDRN COc1cccc2c1CN(Cc1cc(C)cc(OC)c1O)C2 ZINC000863319994 629531431 /nfs/dbraw/zinc/53/14/31/629531431.db2.gz CSFFOQITKARCRH-UHFFFAOYSA-N 0 0 299.370 3.234 20 10 CGCDRN CCCC[C@H](CC)C(=O)NCc1ccc(OC)cc1O ZINC000794377976 629537712 /nfs/dbraw/zinc/53/77/12/629537712.db2.gz RQBQZUGJUCCDHD-LBPRGKRZSA-N 0 0 279.380 3.233 20 10 CGCDRN COc1ccc(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000794387057 629538418 /nfs/dbraw/zinc/53/84/18/629538418.db2.gz CMSLGRBUQKWWDV-IMRBUKKESA-N 0 0 291.391 3.089 20 10 CGCDRN COc1ccc(CNC(=O)C[C@@H](C)c2ccccc2)c(O)c1 ZINC000794382292 629538435 /nfs/dbraw/zinc/53/84/35/629538435.db2.gz UQHFRDWRJHVKNZ-CYBMUJFWSA-N 0 0 299.370 3.211 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2occ3c2CCC3)cc1 ZINC000794853311 629588580 /nfs/dbraw/zinc/58/85/80/629588580.db2.gz KVMVLPVXQAABKI-UHFFFAOYSA-N 0 0 298.386 3.107 20 10 CGCDRN CN(C)c1ccc(CNc2cccnn2)c(C(F)(F)F)c1 ZINC000794943806 629604315 /nfs/dbraw/zinc/60/43/15/629604315.db2.gz PDDJVDWPALZIPF-UHFFFAOYSA-N 0 0 296.296 3.174 20 10 CGCDRN COc1ccc(CNc2nc3ccccc3o2)c(O)c1 ZINC000795289616 629657105 /nfs/dbraw/zinc/65/71/05/629657105.db2.gz MFRXRNWZGUVRSQ-UHFFFAOYSA-N 0 0 270.288 3.154 20 10 CGCDRN CCc1[nH]ccc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000795752528 629713472 /nfs/dbraw/zinc/71/34/72/629713472.db2.gz MAZVFXXMJJNTNY-UHFFFAOYSA-N 0 0 299.418 3.305 20 10 CGCDRN Cn1cnc2cc(NCc3cccc4c3CCOC4)ccc21 ZINC000864016260 629727359 /nfs/dbraw/zinc/72/73/59/629727359.db2.gz QAPDDBXHZKRLDL-UHFFFAOYSA-N 0 0 293.370 3.258 20 10 CGCDRN CC(C)(C)Oc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000864363828 629818714 /nfs/dbraw/zinc/81/87/14/629818714.db2.gz WJHRZFLSIFWAHW-FLIBITNWSA-N 0 0 293.413 3.353 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000796762381 629828908 /nfs/dbraw/zinc/82/89/08/629828908.db2.gz OXHGFWDODFFVKD-HOCLYGCPSA-N 0 0 292.398 3.056 20 10 CGCDRN CC[C@H]([NH2+]CCOC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796872768 629852581 /nfs/dbraw/zinc/85/25/81/629852581.db2.gz LEHRQWJEAQMXGY-ZDUSSCGKSA-N 0 0 269.360 3.387 20 10 CGCDRN CC[C@H]([NH2+]CCOC1CCC1)c1ccc(F)cc1[O-] ZINC000796889430 629853873 /nfs/dbraw/zinc/85/38/73/629853873.db2.gz OFHKPJTZHSWPIH-AWEZNQCLSA-N 0 0 267.344 3.141 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000864862466 629936640 /nfs/dbraw/zinc/93/66/40/629936640.db2.gz JCZPRDSXDZXHJS-LPHOPBHVSA-N 0 0 298.430 3.483 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CC(C)=C[C@H](C)C2)cc1OC ZINC000797438774 629945987 /nfs/dbraw/zinc/94/59/87/629945987.db2.gz IMMNHHCOXGASNK-JTQLQIEISA-N 0 0 292.335 3.014 20 10 CGCDRN CC1=C[C@@H](C)C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000797605251 629970413 /nfs/dbraw/zinc/97/04/13/629970413.db2.gz OHXCKYPGCFDORV-SECBINFHSA-N 0 0 296.754 3.352 20 10 CGCDRN CC[C@H](CNC(=O)C1=CC(=O)CS1)CC(F)(F)F ZINC000839841858 630017205 /nfs/dbraw/zinc/01/72/05/630017205.db2.gz ADFGSAQYGOQJCV-ZETCQYMHSA-N 0 0 281.299 3.162 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000798090772 630021880 /nfs/dbraw/zinc/02/18/80/630021880.db2.gz KBYMBUVQCBCJTB-AAEUAGOBSA-N 0 0 251.757 3.324 20 10 CGCDRN Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccccc1 ZINC000798178967 630030630 /nfs/dbraw/zinc/03/06/30/630030630.db2.gz AFTUQWFBCXLVAO-UHFFFAOYSA-N 0 0 297.354 3.230 20 10 CGCDRN CCc1cc(NCc2cc(F)c(N(C)C)cc2F)no1 ZINC000865290730 630054605 /nfs/dbraw/zinc/05/46/05/630054605.db2.gz MJCRIDKDHUPNSO-UHFFFAOYSA-N 0 0 281.306 3.193 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc([C@H]2C[C@@H]2C)o1 ZINC000865294212 630057049 /nfs/dbraw/zinc/05/70/49/630057049.db2.gz JEJDGFZQEXCTOX-FZMZJTMJSA-N 0 0 286.379 3.180 20 10 CGCDRN C[C@@H]1C[C@@H]1c1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000865296299 630058432 /nfs/dbraw/zinc/05/84/32/630058432.db2.gz UXQSFIACGCTOJG-KOLCDFICSA-N 0 0 290.342 3.010 20 10 CGCDRN O=C(OCc1cnc2ccccc2c1)c1cccc(O)c1O ZINC000798653091 630082238 /nfs/dbraw/zinc/08/22/38/630082238.db2.gz GOJLJXLIUITMFU-UHFFFAOYSA-N 0 0 295.294 3.003 20 10 CGCDRN COc1ccc(CNC(=O)N[C@H](C)CC(C)(C)C)c(O)c1 ZINC000836685067 634791305 /nfs/dbraw/zinc/79/13/05/634791305.db2.gz SBVCFFHWVZYXLB-LLVKDONJSA-N 0 0 294.395 3.025 20 10 CGCDRN CC1(C)CCC[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000799497943 630191979 /nfs/dbraw/zinc/19/19/79/630191979.db2.gz ADHXVGQLEFXJPX-IZPAUZPXSA-N 0 0 276.332 3.233 20 10 CGCDRN C[C@H](NC1(C(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000800503027 630290238 /nfs/dbraw/zinc/29/02/38/630290238.db2.gz LBWIBNFHWNZYKR-JTQLQIEISA-N 0 0 254.324 3.201 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1cc(C)ncn1 ZINC000800887351 630309219 /nfs/dbraw/zinc/30/92/19/630309219.db2.gz RBTMAAADLPDZQT-UHFFFAOYSA-N 0 0 271.364 3.297 20 10 CGCDRN CCCCN(CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000801595035 630346888 /nfs/dbraw/zinc/34/68/88/630346888.db2.gz FGTIOZDDQOGDOD-UHFFFAOYSA-N 0 0 293.407 3.336 20 10 CGCDRN O=[N+]([O-])c1cccc(F)c1Sc1nccs1 ZINC000804373327 630523789 /nfs/dbraw/zinc/52/37/89/630523789.db2.gz YMGYWCBTVHEPHV-UHFFFAOYSA-N 0 0 256.283 3.342 20 10 CGCDRN O=C(NCCC[C@H]1C=CCC1)N1Cc2cccc(O)c2C1 ZINC000876338160 634819472 /nfs/dbraw/zinc/81/94/72/634819472.db2.gz YNJIRLNBXHGALK-ZDUSSCGKSA-N 0 0 286.375 3.164 20 10 CGCDRN CC[C@@H]([NH2+]CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806171744 630553192 /nfs/dbraw/zinc/55/31/92/630553192.db2.gz VDOFRWVFINUXOB-LLVKDONJSA-N 0 0 291.222 3.301 20 10 CGCDRN C[C@H](NC(=O)N1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000807141335 630584233 /nfs/dbraw/zinc/58/42/33/630584233.db2.gz RPIRVVBOUBKOGE-BJJXKVORSA-N 0 0 287.407 3.008 20 10 CGCDRN CCCC[C@](C)(CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842746416 635457097 /nfs/dbraw/zinc/45/70/97/635457097.db2.gz KUSRMXDQNQEZDO-CQSZACIVSA-N 0 0 289.778 3.216 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCCC[C@@H]1CCOC1 ZINC000842649579 631240838 /nfs/dbraw/zinc/24/08/38/631240838.db2.gz OCTBNGAQOOKZJB-OAHLLOKOSA-N 0 0 275.392 3.482 20 10 CGCDRN COc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000814285144 631568088 /nfs/dbraw/zinc/56/80/88/631568088.db2.gz PGXQXUXOUGFITQ-XYOKQWHBSA-N 0 0 291.397 3.059 20 10 CGCDRN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815625793 631808700 /nfs/dbraw/zinc/80/87/00/631808700.db2.gz MKSCDFPXPNWSDF-UWVGGRQHSA-N 0 0 290.329 3.012 20 10 CGCDRN Cc1c(C(=O)N(C)Cc2ccccc2O)ccn1C(C)C ZINC000815797021 631825342 /nfs/dbraw/zinc/82/53/42/631825342.db2.gz XSDXMXJXSROTOR-UHFFFAOYSA-N 0 0 286.375 3.355 20 10 CGCDRN C[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816488470 631992242 /nfs/dbraw/zinc/99/22/42/631992242.db2.gz UUWRYDRIXZYOAV-QMMMGPOBSA-N 0 0 257.736 3.415 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1CN1CCOC2(CCCC2)C1 ZINC000816513880 631999574 /nfs/dbraw/zinc/99/95/74/631999574.db2.gz FQWNNSSWNKLPBA-UHFFFAOYSA-N 0 0 299.773 3.330 20 10 CGCDRN CC1=CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816513697 632000556 /nfs/dbraw/zinc/00/05/56/632000556.db2.gz ZFIBSBZMZMWBJO-UHFFFAOYSA-N 0 0 255.720 3.337 20 10 CGCDRN CCCC[C@H](COC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552416 632009836 /nfs/dbraw/zinc/00/98/36/632009836.db2.gz LNXKENFAQDOVJM-LLVKDONJSA-N 0 0 289.778 3.480 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(F)(F)CC1 ZINC000816596838 632020919 /nfs/dbraw/zinc/02/09/19/632020919.db2.gz SYPMOSKOKBUASA-UHFFFAOYSA-N 0 0 279.689 3.416 20 10 CGCDRN OC[C@@H]1CN(Cc2cccc(Cl)c2O)c2ccccc21 ZINC000816637075 632028208 /nfs/dbraw/zinc/02/82/08/632028208.db2.gz QYMQNZCBQRXTDS-LBPRGKRZSA-N 0 0 289.762 3.142 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648982 632034351 /nfs/dbraw/zinc/03/43/51/632034351.db2.gz RNQMJYYPQGHZLE-VHSXEESVSA-N 0 0 284.197 3.303 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817434071 632155077 /nfs/dbraw/zinc/15/50/77/632155077.db2.gz YQZARXAUUYCUDY-LZWOXQAQSA-N 0 0 286.419 3.113 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000817546638 632181734 /nfs/dbraw/zinc/18/17/34/632181734.db2.gz IGYPMBRMYCZCBN-UHFFFAOYSA-N 0 0 298.386 3.357 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)COCC3CC3)cc12 ZINC000817762607 632223374 /nfs/dbraw/zinc/22/33/74/632223374.db2.gz WKXZJTRDZXIVNT-UHFFFAOYSA-N 0 0 287.359 3.127 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3C[C@@]34CCOC4)cc12 ZINC000817760422 632223449 /nfs/dbraw/zinc/22/34/49/632223449.db2.gz BECOAQNTXLKUCB-MAUKXSAKSA-N 0 0 299.370 3.127 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCCCN1)c1cccc(Cl)c1[O-] ZINC000817950750 632246623 /nfs/dbraw/zinc/24/66/23/632246623.db2.gz YOHOHSJNAUWSER-FZMZJTMJSA-N 0 0 282.815 3.228 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000817955546 632250475 /nfs/dbraw/zinc/25/04/75/632250475.db2.gz YMDUPGNNKUQHRB-HZPDHXFCSA-N 0 0 288.366 3.272 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CN)c1ccc(Cl)c(Cl)c1[O-] ZINC000817969371 632262367 /nfs/dbraw/zinc/26/23/67/632262367.db2.gz DDGBMLSRWINZSH-OIBJUYFYSA-N 0 0 277.195 3.087 20 10 CGCDRN Nc1ccc(CCNC(=O)/C(F)=C\C2CCCCC2)cc1 ZINC000818545028 632331984 /nfs/dbraw/zinc/33/19/84/632331984.db2.gz BOLCXYCMYDBJJC-FOWTUZBSSA-N 0 0 290.382 3.361 20 10 CGCDRN CCCOc1ccccc1NC[C@H](O)CCOC(C)C ZINC000819398742 632450637 /nfs/dbraw/zinc/45/06/37/632450637.db2.gz PQDBRSJRKRQZNF-CQSZACIVSA-N 0 0 281.396 3.063 20 10 CGCDRN O=C(N[C@H](c1cccs1)C1CC1)C1=CC(=O)CS1 ZINC000820496461 632638358 /nfs/dbraw/zinc/63/83/58/632638358.db2.gz XAOYGXYUTDTPDU-LBPRGKRZSA-N 0 0 279.386 3.396 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C=CCC1 ZINC000821085953 632723766 /nfs/dbraw/zinc/72/37/66/632723766.db2.gz LNJBTKQQJDCJGN-CQSZACIVSA-N 0 0 274.364 3.032 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](CC)OCC ZINC000840445601 632744764 /nfs/dbraw/zinc/74/47/64/632744764.db2.gz QUIWTLYKGNGHNJ-MRXNPFEDSA-N 0 0 293.407 3.336 20 10 CGCDRN CC(C)c1cc(N[C@@H](C)c2ccccc2O)ncn1 ZINC000866236695 633037653 /nfs/dbraw/zinc/03/76/53/633037653.db2.gz CGYZBUYSSYRFCF-NSHDSACASA-N 0 0 257.337 3.479 20 10 CGCDRN CCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC000823283930 633086602 /nfs/dbraw/zinc/08/66/02/633086602.db2.gz GCFCKMLDNQFSMR-UHFFFAOYSA-N 0 0 288.351 3.302 20 10 CGCDRN CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000866414316 633127328 /nfs/dbraw/zinc/12/73/28/633127328.db2.gz CYDCDDVELIOHFS-ZYHUDNBSSA-N 0 0 271.788 3.247 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)CC2CC(F)(F)C2)cc1 ZINC000823709172 633141688 /nfs/dbraw/zinc/14/16/88/633141688.db2.gz MLFXXIHCQGWIRY-UHFFFAOYSA-N 0 0 296.361 3.146 20 10 CGCDRN C[C@@H](Nc1cnn2c1CCCC2)c1cc(F)ccc1O ZINC000866461422 633144251 /nfs/dbraw/zinc/14/42/51/633144251.db2.gz QJNAVTYXUQMMKR-SNVBAGLBSA-N 0 0 275.327 3.237 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1cnn3c1CCCC3)CC2 ZINC000866461436 633144442 /nfs/dbraw/zinc/14/44/42/633144442.db2.gz QONXXVRTLWGPIU-GFCCVEGCSA-N 0 0 269.348 3.024 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccncc1 ZINC000866599032 633206971 /nfs/dbraw/zinc/20/69/71/633206971.db2.gz YCBPUZVDLCFMKT-AWEZNQCLSA-N 0 0 298.386 3.330 20 10 CGCDRN CC/C=C(/F)C(=O)N(CCC)Cc1ccccc1O ZINC000866600717 633208265 /nfs/dbraw/zinc/20/82/65/633208265.db2.gz DBTJIBSRGXQNGC-NTUHNPAUSA-N 0 0 265.328 3.394 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(F)cc(F)c1[O-] ZINC000866634933 633223869 /nfs/dbraw/zinc/22/38/69/633223869.db2.gz VWDFWBOVVQWTSN-TVQRCGJNSA-N 0 0 293.317 3.053 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(F)cc(F)c1[O-] ZINC000866634930 633223976 /nfs/dbraw/zinc/22/39/76/633223976.db2.gz VWDFWBOVVQWTSN-NOZJJQNGSA-N 0 0 293.317 3.053 20 10 CGCDRN CC[C@H](NCc1ccc(N(C)C)c(F)c1)C(F)F ZINC000824509015 633251651 /nfs/dbraw/zinc/25/16/51/633251651.db2.gz JILBCEATCZEJKW-NSHDSACASA-N 0 0 260.303 3.025 20 10 CGCDRN CC[C@@H](C)[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000824596993 633262865 /nfs/dbraw/zinc/26/28/65/633262865.db2.gz NCTGWRAACBONAG-NOZJJQNGSA-N 0 0 289.778 3.335 20 10 CGCDRN Cc1ccc(O)c(CN2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000824620649 633265096 /nfs/dbraw/zinc/26/50/96/633265096.db2.gz YCQBSLRECVLQAX-OAHLLOKOSA-N 0 0 285.391 3.017 20 10 CGCDRN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000824636968 633266245 /nfs/dbraw/zinc/26/62/45/633266245.db2.gz VUTIRVJUMARUGD-DOTOQJQBSA-N 0 0 285.387 3.138 20 10 CGCDRN COc1ccc(N(C)CC(=O)OC(C)(C)C)cc1Cl ZINC000121889389 633274055 /nfs/dbraw/zinc/27/40/55/633274055.db2.gz MUQJTFWHAXJICK-UHFFFAOYSA-N 0 0 285.771 3.127 20 10 CGCDRN COc1cccc(CNc2ccccc2-n2cccn2)c1O ZINC000121931960 633280212 /nfs/dbraw/zinc/28/02/12/633280212.db2.gz QNWBISKSNCYRJL-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1O ZINC000868143891 633298299 /nfs/dbraw/zinc/29/82/99/633298299.db2.gz ZQFQJZXWSYUGHR-APHBMKBZSA-N 0 0 296.370 3.309 20 10 CGCDRN CC(C)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](CO)C(C)C ZINC000824845619 633300363 /nfs/dbraw/zinc/30/03/63/633300363.db2.gz MORRGNCGLVPEIQ-DZGCQCFKSA-N 0 0 299.842 3.424 20 10 CGCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OC(C)(C)C)cc1Cl ZINC000825038009 633320599 /nfs/dbraw/zinc/32/05/99/633320599.db2.gz NIEHXDWLIITVOV-JTQLQIEISA-N 0 0 299.798 3.174 20 10 CGCDRN CO[C@H]([C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000825099089 633328921 /nfs/dbraw/zinc/32/89/21/633328921.db2.gz ULGJUAUBOFRYSX-RMLUDKJBSA-N 0 0 287.762 3.088 20 10 CGCDRN Oc1cc(Br)ccc1CN1CCC=C(F)C1 ZINC000825461650 633355852 /nfs/dbraw/zinc/35/58/52/633355852.db2.gz LDZXGFBBTDHFIE-UHFFFAOYSA-N 0 0 286.144 3.214 20 10 CGCDRN C[C@@H](NC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000868814024 633365885 /nfs/dbraw/zinc/36/58/85/633365885.db2.gz ODJYDIOVAOWMLB-KOFHJDLBSA-N 0 0 288.391 3.189 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCc1cccc(OC)c1O ZINC000825703242 633375916 /nfs/dbraw/zinc/37/59/16/633375916.db2.gz OFEXLVFWPNEXSJ-CYBMUJFWSA-N 0 0 293.407 3.479 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1F)c1ccccc1O ZINC000868921095 633378343 /nfs/dbraw/zinc/37/83/43/633378343.db2.gz GXTOVABSLIHOAJ-KGYLQXTDSA-N 0 0 280.343 3.033 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000827085403 633455874 /nfs/dbraw/zinc/45/58/74/633455874.db2.gz SLGOSARRRYUGDG-CQSZACIVSA-N 0 0 293.407 3.219 20 10 CGCDRN C[C@@H](O)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000827856224 633525595 /nfs/dbraw/zinc/52/55/95/633525595.db2.gz MZVZHYOVTGDUDY-IAQYHMDHSA-N 0 0 291.778 3.257 20 10 CGCDRN CCCCS[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827930465 633535467 /nfs/dbraw/zinc/53/54/67/633535467.db2.gz KUBIMJBARZIKER-VXGBXAGGSA-N 0 0 281.421 3.491 20 10 CGCDRN CC(C)c1nc(C(=O)N[C@H](C)c2ccccc2O)cs1 ZINC000827930340 633535707 /nfs/dbraw/zinc/53/57/07/633535707.db2.gz HGPVZGUTSRTDBW-SNVBAGLBSA-N 0 0 290.388 3.463 20 10 CGCDRN Cc1ccc([C@H](C)C(=O)N[C@H](C)c2ccccc2O)o1 ZINC000827937242 633536537 /nfs/dbraw/zinc/53/65/37/633536537.db2.gz PNWSUTKDIHQJEC-NWDGAFQWSA-N 0 0 273.332 3.275 20 10 CGCDRN Cc1ncc(C(=O)N[C@H](C)c2ccccc2O)c(C(C)C)n1 ZINC000827937089 633536672 /nfs/dbraw/zinc/53/66/72/633536672.db2.gz KBASHUREHKLVBX-LLVKDONJSA-N 0 0 299.374 3.105 20 10 CGCDRN C[C@@H](NC(=O)CC1CCSCC1)c1ccccc1O ZINC000827937237 633536887 /nfs/dbraw/zinc/53/68/87/633536887.db2.gz PHHAPEKVTDFRFQ-LLVKDONJSA-N 0 0 279.405 3.103 20 10 CGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827940378 633537624 /nfs/dbraw/zinc/53/76/24/633537624.db2.gz CJEDFMAGFFYLMG-KFNAQCHYSA-N 0 0 261.365 3.252 20 10 CGCDRN C[C@@H](NC(=O)c1ccnn1C1CCCC1)c1ccccc1O ZINC000827941199 633537911 /nfs/dbraw/zinc/53/79/11/633537911.db2.gz PJFNKRRHJBZYMU-GFCCVEGCSA-N 0 0 299.374 3.195 20 10 CGCDRN Cc1coc(C)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827946290 633538115 /nfs/dbraw/zinc/53/81/15/633538115.db2.gz COTDYTGQAVTYNO-SNVBAGLBSA-N 0 0 259.305 3.093 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CC12CCSCC2)c1ccccc1O ZINC000827952197 633539170 /nfs/dbraw/zinc/53/91/70/633539170.db2.gz JHXRNXOTHVCHFT-DGCLKSJQSA-N 0 0 291.416 3.103 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)c1ccccc1O ZINC000827955582 633539741 /nfs/dbraw/zinc/53/97/41/633539741.db2.gz BDBHHVPCYFMASZ-DOMZBBRYSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCCC12CC2)c1ccccc1O ZINC000827956845 633540268 /nfs/dbraw/zinc/54/02/68/633540268.db2.gz PICNTNKRAOWKNH-AAEUAGOBSA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)c1ccncc1 ZINC000827957340 633540719 /nfs/dbraw/zinc/54/07/19/633540719.db2.gz ULNFCLJPNCDKEV-OLZOCXBDSA-N 0 0 284.359 3.158 20 10 CGCDRN C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)O2)c1ccccc1O ZINC000827960765 633541345 /nfs/dbraw/zinc/54/13/45/633541345.db2.gz WTPAAWIVARHEGN-NEPJUHHUSA-N 0 0 297.354 3.207 20 10 CGCDRN CS[C@H](C)CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827968914 633541852 /nfs/dbraw/zinc/54/18/52/633541852.db2.gz CWKGAYREWZPAJU-MNOVXSKESA-N 0 0 267.394 3.101 20 10 CGCDRN Cc1ccccc1NCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827982214 633544080 /nfs/dbraw/zinc/54/40/80/633544080.db2.gz OGFSQSZPWLGCIC-AWEZNQCLSA-N 0 0 298.386 3.380 20 10 CGCDRN O=C(NCC1CCC2(CC2)CC1)C1=CC(=O)CS1 ZINC000871019077 633680199 /nfs/dbraw/zinc/68/01/99/633680199.db2.gz OJACPQMMGVNQGB-UHFFFAOYSA-N 0 0 265.378 3.154 20 10 CGCDRN CCO[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871200485 633723050 /nfs/dbraw/zinc/72/30/50/633723050.db2.gz COFVZAFLOUYWLR-QGZVFWFLSA-N 0 0 297.354 3.012 20 10 CGCDRN CC(C)c1cccc(C(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871203067 633723325 /nfs/dbraw/zinc/72/33/25/633723325.db2.gz LHYXRLGLOVGQNS-UHFFFAOYSA-N 0 0 282.343 3.067 20 10 CGCDRN CC(C)CC1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000871203922 633724105 /nfs/dbraw/zinc/72/41/05/633724105.db2.gz VKVRIIQCSVHMRP-UHFFFAOYSA-N 0 0 273.376 3.451 20 10 CGCDRN CC(C)CC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204384 633724395 /nfs/dbraw/zinc/72/43/95/633724395.db2.gz ZUNQUOWKEUTDIZ-UHFFFAOYSA-N 0 0 261.365 3.307 20 10 CGCDRN CC[C@H](CC(F)(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206169 633726084 /nfs/dbraw/zinc/72/60/84/633726084.db2.gz UUEXCQZGPKPUHD-SECBINFHSA-N 0 0 287.281 3.213 20 10 CGCDRN O=C([C@@H]1CCc2cc(F)ccc21)N1Cc2cccc(O)c2C1 ZINC000871206257 633726739 /nfs/dbraw/zinc/72/67/39/633726739.db2.gz XLCZFWWHHHMAQG-OAHLLOKOSA-N 0 0 297.329 3.104 20 10 CGCDRN O=C([C@@H]1C[C@@H]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871206154 633726761 /nfs/dbraw/zinc/72/67/61/633726761.db2.gz UATNZVZOHMSGKB-ZIAGYGMSSA-N 0 0 271.360 3.061 20 10 CGCDRN O=C(N[C@H](C1CCCC1)C(F)(F)F)C1=CC(=O)CS1 ZINC000829820676 633797653 /nfs/dbraw/zinc/79/76/53/633797653.db2.gz MRZXBELJCPIMRM-SNVBAGLBSA-N 0 0 293.310 3.305 20 10 CGCDRN CSc1cc(O)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000829930987 633810367 /nfs/dbraw/zinc/81/03/67/633810367.db2.gz FYIFLZLNOXHURY-UHFFFAOYSA-N 0 0 299.417 3.314 20 10 CGCDRN CC(C)CN(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000830062904 633822680 /nfs/dbraw/zinc/82/26/80/633822680.db2.gz SHQRGXCYVDXTPZ-UHFFFAOYSA-N 0 0 296.414 3.496 20 10 CGCDRN O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1ccccc1O ZINC000830526535 633869273 /nfs/dbraw/zinc/86/92/73/633869273.db2.gz NEJBCCXAGNTFHX-UKRRQHHQSA-N 0 0 295.329 3.224 20 10 CGCDRN CC(C)c1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000830531985 633869370 /nfs/dbraw/zinc/86/93/70/633869370.db2.gz QFEPFQKIXAGIDV-UHFFFAOYSA-N 0 0 299.370 3.194 20 10 CGCDRN CCCOc1ccc(C[NH2+]C[C@H](C)CCC(=O)[O-])cc1C ZINC000871877467 633906952 /nfs/dbraw/zinc/90/69/52/633906952.db2.gz JYTPAYFZPWLYSE-CYBMUJFWSA-N 0 0 293.407 3.374 20 10 CGCDRN Cc1cc(O)c(CN2CCC[C@H](F)C2)c(Cl)c1 ZINC000846119485 636147368 /nfs/dbraw/zinc/14/73/68/636147368.db2.gz FQGJCMDWVVGSPF-JTQLQIEISA-N 0 0 257.736 3.288 20 10 CGCDRN CC[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(N)cc1 ZINC000831975017 634019874 /nfs/dbraw/zinc/01/98/74/634019874.db2.gz HOBKMSFACPCECX-SFHVURJKSA-N 0 0 294.398 3.175 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cc(F)cc(F)c1[O-] ZINC000872105431 634026386 /nfs/dbraw/zinc/02/63/86/634026386.db2.gz IWKSXPRIAFBFJI-KOLCDFICSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(Cl)cc1[O-] ZINC000872114478 634039080 /nfs/dbraw/zinc/03/90/80/634039080.db2.gz WPWXUYQALHGESY-WDEREUQCSA-N 0 0 297.782 3.040 20 10 CGCDRN Cc1cccc(CN(C)C(=O)C2=CC(=O)CS2)c1C ZINC000832420245 634058028 /nfs/dbraw/zinc/05/80/28/634058028.db2.gz MVRDBUMZLGOCAC-UHFFFAOYSA-N 0 0 275.373 3.343 20 10 CGCDRN CC1(C)CCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000832920025 634104369 /nfs/dbraw/zinc/10/43/69/634104369.db2.gz NRTWWDZLGMFGOK-SECBINFHSA-N 0 0 253.367 3.010 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@]2(C)CC(C)C)c(O)c1O ZINC000834333290 634145365 /nfs/dbraw/zinc/14/53/65/634145365.db2.gz JEAOEEGKVUXDTL-QGZVFWFLSA-N 0 0 291.391 3.447 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834890012 634269747 /nfs/dbraw/zinc/26/97/47/634269747.db2.gz BJFWTMHAOFTCKE-GVXVVHGQSA-N 0 0 278.352 3.243 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000834890069 634270160 /nfs/dbraw/zinc/27/01/60/634270160.db2.gz BQIWQQMXGPPXAE-SUNKGSAMSA-N 0 0 251.345 3.474 20 10 CGCDRN CCOc1ccc(O)c(CNc2c(C)nn(CC)c2C)c1 ZINC000124424819 634270499 /nfs/dbraw/zinc/27/04/99/634270499.db2.gz GLUMRFRRJQNOAN-UHFFFAOYSA-N 0 0 289.379 3.236 20 10 CGCDRN COc1cccnc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000834905372 634281318 /nfs/dbraw/zinc/28/13/18/634281318.db2.gz GMEWVAADYKPCSB-CYBMUJFWSA-N 0 0 285.391 3.007 20 10 CGCDRN COc1cc(NCc2ccccc2O)cc(OC)c1 ZINC000019909461 634372365 /nfs/dbraw/zinc/37/23/65/634372365.db2.gz MJWMFYZKTMPMRE-UHFFFAOYSA-N 0 0 259.305 3.022 20 10 CGCDRN Cc1cccc(C2(C(=O)NCc3ccc(N)cc3)CCC2)c1 ZINC000837303066 634881701 /nfs/dbraw/zinc/88/17/01/634881701.db2.gz SFOGDQNPKQQUEC-UHFFFAOYSA-N 0 0 294.398 3.315 20 10 CGCDRN CC(C)CCCCCC(=O)NCc1ccc(N)cc1 ZINC000837303158 634881960 /nfs/dbraw/zinc/88/19/60/634881960.db2.gz WYVUOHWBORDLPC-UHFFFAOYSA-N 0 0 262.397 3.492 20 10 CGCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(C)cc1O ZINC000876736598 634887756 /nfs/dbraw/zinc/88/77/56/634887756.db2.gz WQMCZBZHGYORPH-QGZVFWFLSA-N 0 0 299.370 3.047 20 10 CGCDRN Cc1ccc(CNc2ccccc2N(C)C)c(O)c1 ZINC000876830627 634911050 /nfs/dbraw/zinc/91/10/50/634911050.db2.gz OGMCYLGFYNKFOU-UHFFFAOYSA-N 0 0 256.349 3.379 20 10 CGCDRN CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC=CC1 ZINC000930206548 634946520 /nfs/dbraw/zinc/94/65/20/634946520.db2.gz ZGWMMOYTGSVGLB-UHFFFAOYSA-N 0 0 284.403 3.259 20 10 CGCDRN CC1(C)CCC(C)(C)N(C(=O)Cc2ccc(N)cc2)C1 ZINC000876995010 634946653 /nfs/dbraw/zinc/94/66/53/634946653.db2.gz QVQUCVZTEIEKRU-UHFFFAOYSA-N 0 0 274.408 3.239 20 10 CGCDRN CC(C)(C)c1csc(NC(=O)c2cccc(O)c2O)n1 ZINC000126309388 634957379 /nfs/dbraw/zinc/95/73/79/634957379.db2.gz OVDSYFDZCDZLNC-UHFFFAOYSA-N 0 0 292.360 3.104 20 10 CGCDRN CN(C(=O)[C@H]1CCCC(C)(C)C1)c1ccc(N)cc1 ZINC000877076143 634973935 /nfs/dbraw/zinc/97/39/35/634973935.db2.gz MORXLKUUGCILFV-LBPRGKRZSA-N 0 0 260.381 3.448 20 10 CGCDRN CCOCCC1(C(=O)N(C)c2ccc(N)cc2)CCCC1 ZINC000877075522 634973941 /nfs/dbraw/zinc/97/39/41/634973941.db2.gz FEDMLKOYODBDJC-UHFFFAOYSA-N 0 0 290.407 3.219 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@@H]2C)cc1 ZINC000837726538 634974450 /nfs/dbraw/zinc/97/44/50/634974450.db2.gz LIFBKNYABSUFMB-KGLIPLIRSA-N 0 0 289.423 3.083 20 10 CGCDRN CCCCS[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877078359 634975182 /nfs/dbraw/zinc/97/51/82/634975182.db2.gz NLSVGSISVHVBJD-NSHDSACASA-N 0 0 266.410 3.153 20 10 CGCDRN C[C@H](CC1CCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078312 634975547 /nfs/dbraw/zinc/97/55/47/634975547.db2.gz LOXXGNZHMJYFKK-GFCCVEGCSA-N 0 0 260.381 3.448 20 10 CGCDRN Cc1nc(C(C)C)sc1C(=O)N(C)c1ccc(N)cc1 ZINC000877077779 634975947 /nfs/dbraw/zinc/97/59/47/634975947.db2.gz UNMAZRSKAWKOTF-UHFFFAOYSA-N 0 0 289.404 3.434 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)ccc(F)c1F ZINC000877086956 634980081 /nfs/dbraw/zinc/98/00/81/634980081.db2.gz CQYFRPLUSQNSRB-GFCCVEGCSA-N 0 0 297.345 3.252 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877122882 634991584 /nfs/dbraw/zinc/99/15/84/634991584.db2.gz BYJFADHLFQBWQL-AAEUAGOBSA-N 0 0 299.361 3.354 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccns1 ZINC000877180861 635009266 /nfs/dbraw/zinc/00/92/66/635009266.db2.gz XWGJDVKUDSTHHW-UHFFFAOYSA-N 0 0 260.362 3.105 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840822169 635058381 /nfs/dbraw/zinc/05/83/81/635058381.db2.gz UCXRLDMPRUKEQH-DJBIQUGXSA-N 0 0 276.336 3.140 20 10 CGCDRN CCc1ncc(CN2CCCc3cc(OC)ccc32)cn1 ZINC000840937691 635085516 /nfs/dbraw/zinc/08/55/16/635085516.db2.gz VATNUPQVQQFFBU-UHFFFAOYSA-N 0 0 283.375 3.000 20 10 CGCDRN COc1ccc(N(C)Cc2ccoc2C)cc1OC ZINC000840940101 635086872 /nfs/dbraw/zinc/08/68/72/635086872.db2.gz VKCSEJVLXWYOAI-UHFFFAOYSA-N 0 0 261.321 3.242 20 10 CGCDRN CCn1ccnc1[C@@H](C)NCc1c(O)cc(C)cc1Cl ZINC000840951421 635091528 /nfs/dbraw/zinc/09/15/28/635091528.db2.gz XYPASFUJHQPSFJ-LLVKDONJSA-N 0 0 293.798 3.421 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc(F)c1F ZINC000877603370 635107854 /nfs/dbraw/zinc/10/78/54/635107854.db2.gz LOZXKBQGUBNXSA-JSGCOSHPSA-N 0 0 297.345 3.061 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000841071156 635117496 /nfs/dbraw/zinc/11/74/96/635117496.db2.gz ZBKJSKVIUXWQSG-UHFFFAOYSA-N 0 0 286.350 3.179 20 10 CGCDRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000841298663 635149339 /nfs/dbraw/zinc/14/93/39/635149339.db2.gz CXUQUORTBPMHKV-STQMWFEESA-N 0 0 291.395 3.490 20 10 CGCDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)c1c(C)noc1C ZINC000841298909 635149968 /nfs/dbraw/zinc/14/99/68/635149968.db2.gz UGIPKVQHOXRVCG-ZDUSSCGKSA-N 0 0 288.351 3.146 20 10 CGCDRN COC1(C[N@@H+]2Cc3cccc(O)c3C2)CCCCC1 ZINC000877702610 635154210 /nfs/dbraw/zinc/15/42/10/635154210.db2.gz DQELAEJZZAGKMT-UHFFFAOYSA-N 0 0 261.365 3.057 20 10 CGCDRN COc1ccc(O)c(CN[C@H](CF)c2ccc(F)cc2)c1 ZINC000877758502 635187408 /nfs/dbraw/zinc/18/74/08/635187408.db2.gz FVHTXMHLMYODTD-OAHLLOKOSA-N 0 0 293.313 3.340 20 10 CGCDRN CC(C)CCC[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841612267 635196303 /nfs/dbraw/zinc/19/63/03/635196303.db2.gz HEJUPWZHZMDSRP-CQSZACIVSA-N 0 0 291.439 3.325 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(N(C)C)c(F)c2)c1 ZINC000877773089 635199340 /nfs/dbraw/zinc/19/93/40/635199340.db2.gz DKNREGXBOKDLMV-UHFFFAOYSA-N 0 0 290.338 3.218 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841747951 635224074 /nfs/dbraw/zinc/22/40/74/635224074.db2.gz FSGMJMXXIOEKEL-SCVCMEIPSA-N 0 0 269.772 3.264 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841756954 635230082 /nfs/dbraw/zinc/23/00/82/635230082.db2.gz LPFGRWXCIHAKLV-WDEREUQCSA-N 0 0 293.798 3.061 20 10 CGCDRN COCC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756818 635230222 /nfs/dbraw/zinc/23/02/22/635230222.db2.gz KLDXDIRZOKDHCF-JTQLQIEISA-N 0 0 271.788 3.369 20 10 CGCDRN CC[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000841809921 635238023 /nfs/dbraw/zinc/23/80/23/635238023.db2.gz DPSWVKKVYPYYMP-HNNXBMFYSA-N 0 0 292.423 3.266 20 10 CGCDRN CC1(C)CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841885211 635245885 /nfs/dbraw/zinc/24/58/85/635245885.db2.gz UHJWGZMOVHKZQO-OAHLLOKOSA-N 0 0 289.423 3.079 20 10 CGCDRN CCCCN(CCCC)C(=O)NCCc1ccc(N)cc1 ZINC000841962780 635253065 /nfs/dbraw/zinc/25/30/65/635253065.db2.gz SCAJTMWZWXOCJU-UHFFFAOYSA-N 0 0 291.439 3.423 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCC3(CCC3)O2)cc1OC ZINC000877996350 635314006 /nfs/dbraw/zinc/31/40/06/635314006.db2.gz QYBMUPPNJOPNLG-CQSZACIVSA-N 0 0 291.391 3.242 20 10 CGCDRN CC[C@H](NCc1ccc(OC)c(C)c1)C(=O)OC(C)(C)C ZINC000842772365 635467615 /nfs/dbraw/zinc/46/76/15/635467615.db2.gz XISSTOWNZRSRHG-AWEZNQCLSA-N 0 0 293.407 3.214 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])[C@@H]1SC ZINC000842924424 635513250 /nfs/dbraw/zinc/51/32/50/635513250.db2.gz QAXJHNFGFYKEEA-VHIFSBLJSA-N 0 0 299.411 3.091 20 10 CGCDRN Cc1cc(Cl)cc(C[NH+]2CCC(C)(C(=O)[O-])CC2)c1O ZINC000843041573 635547863 /nfs/dbraw/zinc/54/78/63/635547863.db2.gz SOZJYRFUMMRTOT-UHFFFAOYSA-N 0 0 297.782 3.041 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843047918 635550272 /nfs/dbraw/zinc/55/02/72/635550272.db2.gz BNINUFUVVSXUHN-GJZGRUSLSA-N 0 0 294.826 3.152 20 10 CGCDRN C[C@H]1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158496 635587415 /nfs/dbraw/zinc/58/74/15/635587415.db2.gz DQUAKJPKALTBOF-JQWIXIFHSA-N 0 0 257.337 3.146 20 10 CGCDRN CCCCO[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159307 635588826 /nfs/dbraw/zinc/58/88/26/635588826.db2.gz OSAMYAPNJCERLQ-LLVKDONJSA-N 0 0 275.352 3.120 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]CC1CCC(F)CC1 ZINC000843432227 635674013 /nfs/dbraw/zinc/67/40/13/635674013.db2.gz KLMMGDMTKPFBCF-UHFFFAOYSA-N 0 0 255.308 3.149 20 10 CGCDRN CCc1ncsc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000878996556 635677043 /nfs/dbraw/zinc/67/70/43/635677043.db2.gz UAZOKKZAKJEOFV-VIFPVBQESA-N 0 0 291.376 3.294 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C/C1CCCC1 ZINC000843820746 635784602 /nfs/dbraw/zinc/78/46/02/635784602.db2.gz YJVYJJLZHHOQBF-ZHACJKMWSA-N 0 0 259.349 3.097 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\C2CCCC2)c1 ZINC000843830135 635786374 /nfs/dbraw/zinc/78/63/74/635786374.db2.gz CUKNJKMAJULSFE-MQGYJPLLSA-N 0 0 289.375 3.324 20 10 CGCDRN Cc1cc(O)c(CNc2ccc3c(c2)oc(=O)n3C)cc1C ZINC000127882959 635821498 /nfs/dbraw/zinc/82/14/98/635821498.db2.gz LKEREKAJPITETL-UHFFFAOYSA-N 0 0 298.342 3.066 20 10 CGCDRN Cc1ccc(NCc2cccc(Br)c2O)cn1 ZINC000128004202 635866309 /nfs/dbraw/zinc/86/63/09/635866309.db2.gz DGBXSGVHXMEZAG-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN COc1ccc(N(C)Cc2csc([C@@H](C)OC)n2)cc1 ZINC000844353204 635877492 /nfs/dbraw/zinc/87/74/92/635877492.db2.gz QWKILBSDWIOKFA-LLVKDONJSA-N 0 0 292.404 3.496 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000844358717 635879602 /nfs/dbraw/zinc/87/96/02/635879602.db2.gz YINHSUWJHMWDRE-MQMHXKEQSA-N 0 0 292.398 3.334 20 10 CGCDRN CC(C)[C@H](C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000845003172 635996035 /nfs/dbraw/zinc/99/60/35/635996035.db2.gz NGMFMSCMTAFJTJ-SNVBAGLBSA-N 0 0 284.787 3.137 20 10 CGCDRN CSc1ccnc(NCc2ccc(N(C)C)cc2C)n1 ZINC000845491746 636039697 /nfs/dbraw/zinc/03/96/97/636039697.db2.gz BSQANSCXWJCMMB-UHFFFAOYSA-N 0 0 288.420 3.185 20 10 CGCDRN Cc1cc(C(=O)NC[C@H]2C=CCC2)c(C)n1-c1ccccn1 ZINC000881493857 636117383 /nfs/dbraw/zinc/11/73/83/636117383.db2.gz ZSEZIKQKOVHZTC-HNNXBMFYSA-N 0 0 295.386 3.185 20 10 CGCDRN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000846013258 636129159 /nfs/dbraw/zinc/12/91/59/636129159.db2.gz JAOGXMKJBCPODJ-JOYOIKCWSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C2(CCC2)CO1 ZINC000846067231 636140718 /nfs/dbraw/zinc/14/07/18/636140718.db2.gz PEDCOGQSCNIJKJ-CYBMUJFWSA-N 0 0 292.398 3.035 20 10 CGCDRN COc1cccc([C@H](C)Nc2cnn(C)c2C2CC2)c1O ZINC000846162258 636151235 /nfs/dbraw/zinc/15/12/35/636151235.db2.gz CKALJGJJIWJQRF-JTQLQIEISA-N 0 0 287.363 3.185 20 10 CGCDRN CCN(C)c1ccc(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000846275551 636170720 /nfs/dbraw/zinc/17/07/20/636170720.db2.gz UCUYADYIFWMFKS-MRXNPFEDSA-N 0 0 292.423 3.074 20 10 CGCDRN CS[C@@H](C)CCC(=O)NCc1cc(Cl)ccc1O ZINC000846474603 636187835 /nfs/dbraw/zinc/18/78/35/636187835.db2.gz WIWKFRIOTNBWJK-VIFPVBQESA-N 0 0 287.812 3.194 20 10 CGCDRN CCC[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475204 636188192 /nfs/dbraw/zinc/18/81/92/636188192.db2.gz DHVSNNFQEQXSJC-SECBINFHSA-N 0 0 255.745 3.098 20 10 CGCDRN C[C@H]1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846477706 636188726 /nfs/dbraw/zinc/18/87/26/636188726.db2.gz VLLHXAVIQSETRS-GXFFZTMASA-N 0 0 281.783 3.488 20 10 CGCDRN CCC(=CC(=O)NCc1cc(Cl)ccc1O)CC ZINC000846476267 636188741 /nfs/dbraw/zinc/18/87/41/636188741.db2.gz MLVQZKIGXBNFEM-UHFFFAOYSA-N 0 0 267.756 3.408 20 10 CGCDRN O=C(CC1CCSCC1)NCc1cc(Cl)ccc1O ZINC000846476307 636188850 /nfs/dbraw/zinc/18/88/50/636188850.db2.gz NPLWLRNLHCGNAW-UHFFFAOYSA-N 0 0 299.823 3.195 20 10 CGCDRN CCc1oc(C(=O)NCc2cc(Cl)ccc2O)cc1C ZINC000846477881 636189074 /nfs/dbraw/zinc/18/90/74/636189074.db2.gz WKGZGEYOJXMUGH-UHFFFAOYSA-N 0 0 293.750 3.439 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(C)nc1)CCC2 ZINC000846998359 636305427 /nfs/dbraw/zinc/30/54/27/636305427.db2.gz WUGMLDSLTLYZPS-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN CCN(C)c1ccc(CN(C)[C@H](C)c2nc(C)no2)cc1 ZINC000847065836 636326687 /nfs/dbraw/zinc/32/66/87/636326687.db2.gz PGIHIPHXKMCMRE-GFCCVEGCSA-N 0 0 288.395 3.027 20 10 CGCDRN COc1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])ccc1C ZINC000882932557 636468410 /nfs/dbraw/zinc/46/84/10/636468410.db2.gz JDDORZODQPNGON-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CC1(C2CC2)CC1 ZINC000130705416 636501016 /nfs/dbraw/zinc/50/10/16/636501016.db2.gz FVPPGNRNLPCTIU-UHFFFAOYSA-N 0 0 296.208 3.435 20 10 CGCDRN C[C@H]1CC(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000883113240 636543376 /nfs/dbraw/zinc/54/33/76/636543376.db2.gz NMMVGYGIFVFVQY-QWRGUYRKSA-N 0 0 299.361 3.354 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1(Cl)Cl ZINC000883134877 636552460 /nfs/dbraw/zinc/55/24/60/636552460.db2.gz MLGLNKHHJSMWDF-LLVKDONJSA-N 0 0 296.144 3.344 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCCO1 ZINC000883162107 636560748 /nfs/dbraw/zinc/56/07/48/636560748.db2.gz JSTHIQCWUSDEPW-KGLIPLIRSA-N 0 0 285.334 3.108 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000883199724 636581441 /nfs/dbraw/zinc/58/14/41/636581441.db2.gz NJGSIDOALNWDTH-CQSZACIVSA-N 0 0 297.345 3.252 20 10 CGCDRN CC[C@@H](N[C@@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000883399307 636739471 /nfs/dbraw/zinc/73/94/71/636739471.db2.gz JEXRCIBHVQNZHM-GXFFZTMASA-N 0 0 256.340 3.447 20 10 CGCDRN CCCN(CCC)c1ccc(C[N@H+](C)CCC(=O)[O-])cc1 ZINC000108245118 636746434 /nfs/dbraw/zinc/74/64/34/636746434.db2.gz NNAHHDQNHSBXHN-UHFFFAOYSA-N 0 0 292.423 3.220 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000883582026 636796956 /nfs/dbraw/zinc/79/69/56/636796956.db2.gz LDXBEGPZOGHLNJ-KGLIPLIRSA-N 0 0 287.407 3.079 20 10 CGCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1Cl ZINC000849308324 636803091 /nfs/dbraw/zinc/80/30/91/636803091.db2.gz KJMOTZJBCJFPAH-JTQLQIEISA-N 0 0 291.800 3.366 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C=CCC1 ZINC000883835532 636858417 /nfs/dbraw/zinc/85/84/17/636858417.db2.gz LGWICEKOZWYZRA-AWEZNQCLSA-N 0 0 288.391 3.280 20 10 CGCDRN FC(F)COCCSc1ncc(Cl)s1 ZINC000850000290 636925187 /nfs/dbraw/zinc/92/51/87/636925187.db2.gz PLAWVFZTKBFDJE-UHFFFAOYSA-N 0 0 259.730 3.170 20 10 CGCDRN CC(C)O[C@@]1(CSc2ncc(Cl)s2)CCOC1 ZINC000850001733 636926058 /nfs/dbraw/zinc/92/60/58/636926058.db2.gz LWHUBXWFZUSDRL-NSHDSACASA-N 0 0 293.841 3.473 20 10 CGCDRN CCc1nnc([C@H](C)Sc2ncc(Cl)s2)[nH]1 ZINC000850001885 636926266 /nfs/dbraw/zinc/92/62/66/636926266.db2.gz NWXMBYCWWJNTPP-YFKPBYRVSA-N 0 0 274.802 3.330 20 10 CGCDRN COc1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1C ZINC000850113873 636960710 /nfs/dbraw/zinc/96/07/10/636960710.db2.gz YMPUWEMQXXJAEI-UHFFFAOYSA-N 0 0 299.418 3.294 20 10 CGCDRN Fc1ccc(CNCc2ccc3c(c2)CCO3)c(F)c1F ZINC000850111288 636961340 /nfs/dbraw/zinc/96/13/40/636961340.db2.gz IOSMNGXNCPTKPB-UHFFFAOYSA-N 0 0 293.288 3.329 20 10 CGCDRN O=C(Cc1c(F)cccc1Cl)NCc1ccccc1O ZINC000133785505 636976858 /nfs/dbraw/zinc/97/68/58/636976858.db2.gz BYDUZWDIJAEFSF-UHFFFAOYSA-N 0 0 293.725 3.044 20 10 CGCDRN CCC(C)(CC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000134978829 637060751 /nfs/dbraw/zinc/06/07/51/637060751.db2.gz SJERJMUYFZBYQV-LLVKDONJSA-N 0 0 279.380 3.404 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000850481997 637085485 /nfs/dbraw/zinc/08/54/85/637085485.db2.gz PMYYIRLYUBUHLF-ZYHUDNBSSA-N 0 0 298.377 3.194 20 10 CGCDRN CCN(C)c1ccc([C@H](C)N[C@H]2C[C@H](C)n3ncnc32)cc1 ZINC000850499454 637092045 /nfs/dbraw/zinc/09/20/45/637092045.db2.gz PUGOYABHGIDPQK-XEZPLFJOSA-N 0 0 299.422 3.091 20 10 CGCDRN C[C@H]1CC[C@@](C)(CNC(=O)Cc2ccc(N)cc2)C1(C)C ZINC000851641162 637463903 /nfs/dbraw/zinc/46/39/03/637463903.db2.gz GXZYNWYWRABEJV-UGSOOPFHSA-N 0 0 288.435 3.390 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1c([O-])cccc1F ZINC000886493402 637541196 /nfs/dbraw/zinc/54/11/96/637541196.db2.gz JVIUFJWAXZXLHC-LBPRGKRZSA-N 0 0 288.366 3.448 20 10 CGCDRN C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886501758 637544045 /nfs/dbraw/zinc/54/40/45/637544045.db2.gz XKOAZJGFFAHHKI-STQMWFEESA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886543152 637570751 /nfs/dbraw/zinc/57/07/51/637570751.db2.gz LGWLGUYWSNKTKV-GYSYKLTISA-N 0 0 293.338 3.287 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886590011 637595078 /nfs/dbraw/zinc/59/50/78/637595078.db2.gz LORYAKDAGNGEDX-NSHDSACASA-N 0 0 269.360 3.245 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1c([O-])cccc1F ZINC000886610482 637602861 /nfs/dbraw/zinc/60/28/61/637602861.db2.gz BYTQTGALUNTKGC-RYUDHWBXSA-N 0 0 287.334 3.358 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000886633553 637619324 /nfs/dbraw/zinc/61/93/24/637619324.db2.gz YMROKWFDFBTBAX-QWRGUYRKSA-N 0 0 297.370 3.160 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000886633552 637619928 /nfs/dbraw/zinc/61/99/28/637619928.db2.gz YMROKWFDFBTBAX-MNOVXSKESA-N 0 0 297.370 3.160 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1c([O-])cccc1F ZINC000886635022 637620694 /nfs/dbraw/zinc/62/06/94/637620694.db2.gz STHXXQNVDDRUSP-VXGBXAGGSA-N 0 0 280.387 3.055 20 10 CGCDRN C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886635167 637620904 /nfs/dbraw/zinc/62/09/04/637620904.db2.gz XSJLMPCHJWTXLO-RYUDHWBXSA-N 0 0 274.339 3.208 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1c([O-])cccc1F ZINC000886637638 637622670 /nfs/dbraw/zinc/62/26/70/637622670.db2.gz BCLDOFBRILSYJX-JJMVLAAESA-N 0 0 287.334 3.360 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1c([O-])cccc1F ZINC000886646960 637626614 /nfs/dbraw/zinc/62/66/14/637626614.db2.gz ZFIXMASHTXWHND-CHWSQXEVSA-N 0 0 293.382 3.389 20 10 CGCDRN Cc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)ccc1N(C)C ZINC000852324132 637634983 /nfs/dbraw/zinc/63/49/83/637634983.db2.gz HKKPMNSMUSFMEU-SFHVURJKSA-N 0 0 288.435 3.062 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cc(F)cc(F)c1[O-] ZINC000886702017 637664159 /nfs/dbraw/zinc/66/41/59/637664159.db2.gz ZBJBJFYEIZTALZ-JQWIXIFHSA-N 0 0 297.345 3.280 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccccc1O)C1CCC(F)CC1 ZINC000852630456 637686851 /nfs/dbraw/zinc/68/68/51/637686851.db2.gz DWCAYEQBCNVBCF-LKSINWNRSA-N 0 0 294.370 3.108 20 10 CGCDRN C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886824615 637709445 /nfs/dbraw/zinc/70/94/45/637709445.db2.gz CQFZQHAKGPTUTQ-SNVBAGLBSA-N 0 0 276.336 3.284 20 10 CGCDRN Cc1ccnc(NC(=O)Cc2ccc(N)cc2)c1C1CC1 ZINC000852850966 637719170 /nfs/dbraw/zinc/71/91/70/637719170.db2.gz VABCKNULYHJVPE-UHFFFAOYSA-N 0 0 281.359 3.031 20 10 CGCDRN CC1(C)C[C@]1(NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000852923769 637724152 /nfs/dbraw/zinc/72/41/52/637724152.db2.gz DQGQGKKEARNUPR-IBGZPJMESA-N 0 0 294.398 3.253 20 10 CGCDRN CCOC(=O)c1cnc(Sc2nccn2C(C)C)s1 ZINC000853122641 637768604 /nfs/dbraw/zinc/76/86/04/637768604.db2.gz RPGHKFFDOCLCDO-UHFFFAOYSA-N 0 0 297.405 3.248 20 10 CGCDRN CC(=O)c1ccnc(NCc2ccc(N3CCCC3)cc2)c1 ZINC000853159099 637773415 /nfs/dbraw/zinc/77/34/15/637773415.db2.gz AZZGZYXUDZUGJR-UHFFFAOYSA-N 0 0 295.386 3.497 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccc(C)nn2)cc1 ZINC000853193700 637778220 /nfs/dbraw/zinc/77/82/20/637778220.db2.gz XJESVSFBZQGOMI-UHFFFAOYSA-N 0 0 270.380 3.243 20 10 CGCDRN Cc1coc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000887277499 637788911 /nfs/dbraw/zinc/78/89/11/637788911.db2.gz YRSISNSLNPVOAB-XYOKQWHBSA-N 0 0 276.361 3.044 20 10 CGCDRN C[C@H]([NH2+]CCOCCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000853238464 637789715 /nfs/dbraw/zinc/78/97/15/637789715.db2.gz JOWICXPQNFVLPZ-QMMMGPOBSA-N 0 0 296.169 3.336 20 10 CGCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000008701777 637816037 /nfs/dbraw/zinc/81/60/37/637816037.db2.gz SEASUJYTWNXXLJ-UHFFFAOYSA-N 0 0 284.359 3.151 20 10 CGCDRN Cc1ccc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000853691805 637893266 /nfs/dbraw/zinc/89/32/66/637893266.db2.gz FJUONXNQYWAPBA-AWEZNQCLSA-N 0 0 284.407 3.203 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(F)ncn1 ZINC000853692731 637894083 /nfs/dbraw/zinc/89/40/83/637894083.db2.gz YPSLUIIYHWHFGT-LBPRGKRZSA-N 0 0 288.370 3.033 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)C2(C3CC3)CC2)C2CC2)cc1 ZINC000887961753 637934916 /nfs/dbraw/zinc/93/49/16/637934916.db2.gz VBWJWHUTJZNTHQ-UHFFFAOYSA-N 0 0 298.430 3.434 20 10 CGCDRN C[C@@H](NC(=O)N[C@@]1(C)CC1(C)C)c1ccc(N(C)C)cc1 ZINC000854003234 637969799 /nfs/dbraw/zinc/96/97/99/637969799.db2.gz GKUZIZKWFNGOTI-PXAZEXFGSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)Cc2ccccc21 ZINC000854252614 638033229 /nfs/dbraw/zinc/03/32/29/638033229.db2.gz AGYUFWQFOHTYSV-SNVBAGLBSA-N 0 0 273.357 3.213 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCCc3ccccc32)s1 ZINC000112227113 638050798 /nfs/dbraw/zinc/05/07/98/638050798.db2.gz YYDFTWKWDNPJHT-CMDGGOBGSA-N 0 0 284.384 3.444 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCc3c2cccc3C)s1 ZINC000112241035 638055778 /nfs/dbraw/zinc/05/57/78/638055778.db2.gz FKCZGUMXHOGDCQ-VOTSOKGWSA-N 0 0 284.384 3.362 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2cccc(C)c2)s1 ZINC000112243606 638055813 /nfs/dbraw/zinc/05/58/13/638055813.db2.gz UWNQVKIYIDLDGE-BQYQJAHWSA-N 0 0 272.373 3.436 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000855022936 638134881 /nfs/dbraw/zinc/13/48/81/638134881.db2.gz MYNUQQVUOMYRMO-WQAKAFBOSA-N 0 0 279.767 3.098 20 10 CGCDRN CCOc1cc(C(=O)N(C)Cc2ccccc2O)ccc1C ZINC000113418782 638205619 /nfs/dbraw/zinc/20/56/19/638205619.db2.gz YOYBHXZQEIFLRG-UHFFFAOYSA-N 0 0 299.370 3.372 20 10 CGCDRN CCN(CC)c1ccc(CN[C@H](C)c2nonc2C)cc1 ZINC000924711917 638392889 /nfs/dbraw/zinc/39/28/89/638392889.db2.gz XTCMTVCOVYOFQK-GFCCVEGCSA-N 0 0 288.395 3.075 20 10 CGCDRN CCCCCC(=O)NCc1ccc(N(C)C)cc1C ZINC000115281963 638515156 /nfs/dbraw/zinc/51/51/56/638515156.db2.gz HVEXFSVBGLNXRB-UHFFFAOYSA-N 0 0 262.397 3.258 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C(C)(C)C ZINC000115827871 638622339 /nfs/dbraw/zinc/62/23/39/638622339.db2.gz YDTLRACETQDYJH-CYBMUJFWSA-N 0 0 291.439 3.295 20 10 CGCDRN Cc1ccc(C(=O)Nc2nccc(C)c2C2CC2)c(O)c1O ZINC000926109272 638706965 /nfs/dbraw/zinc/70/69/65/638706965.db2.gz XYFCYKMHGVVQLW-UHFFFAOYSA-N 0 0 298.342 3.239 20 10 CGCDRN C[C@H]1C[C@H](Nc2cnn(CCF)c2)c2c1c(F)ccc2O ZINC000858491346 638741030 /nfs/dbraw/zinc/74/10/30/638741030.db2.gz FTQVQIIUAGGZND-CABZTGNLSA-N 0 0 293.317 3.358 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)CC(C)(C)C)c1 ZINC000858529129 638756147 /nfs/dbraw/zinc/75/61/47/638756147.db2.gz ISJDKHJGXKMARA-LBPRGKRZSA-N 0 0 278.396 3.325 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC000858530549 638756897 /nfs/dbraw/zinc/75/68/97/638756897.db2.gz IEKZQCGQTLTAEA-INIZCTEOSA-N 0 0 288.391 3.079 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1c([O-])cccc1F ZINC000927014541 638831564 /nfs/dbraw/zinc/83/15/64/638831564.db2.gz OHZGGUBSVMDVLX-NHYWBVRUSA-N 0 0 267.344 3.141 20 10 CGCDRN CC(C(=O)NCc1c(O)cccc1F)=C1CCCC1 ZINC000928704813 638889251 /nfs/dbraw/zinc/88/92/51/638889251.db2.gz DMVGAZKUXZRDPE-UHFFFAOYSA-N 0 0 263.312 3.038 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000858581510 638998339 /nfs/dbraw/zinc/99/83/39/638998339.db2.gz KHZUKSMOAIJSSM-GXTWGEPZSA-N 0 0 290.407 3.325 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]2C(F)F)c1O ZINC000931423115 639147081 /nfs/dbraw/zinc/14/70/81/639147081.db2.gz CBTKFTOXBNNMHY-LLVKDONJSA-N 0 0 289.709 3.088 20 10 CGCDRN COc1cccc2c1CN(Cc1ccc(N(C)C)cc1)C2 ZINC000859939861 639259403 /nfs/dbraw/zinc/25/94/03/639259403.db2.gz RQTORAWAPHZDEM-UHFFFAOYSA-N 0 0 282.387 3.277 20 10 CGCDRN CSCCCCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000860243434 639315427 /nfs/dbraw/zinc/31/54/27/639315427.db2.gz NFWZMDSZLANAOF-UHFFFAOYSA-N 0 0 297.420 3.028 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862026554 639634793 /nfs/dbraw/zinc/63/47/93/639634793.db2.gz SKMBPNFAUHEBKO-HUUCEWRRSA-N 0 0 298.386 3.239 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)C1=CCCCCC1 ZINC000862027467 639636473 /nfs/dbraw/zinc/63/64/73/639636473.db2.gz TVRJNNNZHDKSCN-UHFFFAOYSA-N 0 0 296.370 3.447 20 10 CGCDRN C[C@H]1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862028069 639636712 /nfs/dbraw/zinc/63/67/12/639636712.db2.gz OPKXPYVRLNVLBZ-JSGCOSHPSA-N 0 0 298.386 3.383 20 10 CGCDRN CC1(c2ccccc2C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000934943223 639724646 /nfs/dbraw/zinc/72/46/46/639724646.db2.gz GOBNKQOLZMFTNK-UHFFFAOYSA-N 0 0 297.354 3.079 20 10 CGCDRN CC[C@@H](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000189557806 640198624 /nfs/dbraw/zinc/19/86/24/640198624.db2.gz MUQCMBKMUHOCHN-GFCCVEGCSA-N 0 0 275.392 3.323 20 10 CGCDRN CN(Cc1cocn1)Cc1ccc(N2CCCCC2)cc1 ZINC000191057070 640286291 /nfs/dbraw/zinc/28/62/91/640286291.db2.gz TVGAXUDHVNVQTA-UHFFFAOYSA-N 0 0 285.391 3.297 20 10 CGCDRN Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(O)c2O)cc1 ZINC000192975828 640423392 /nfs/dbraw/zinc/42/33/92/640423392.db2.gz KISTUUYFDGLLSH-GFCCVEGCSA-N 0 0 285.343 3.239 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCC[C@@H](C)C1 ZINC000248517221 640765250 /nfs/dbraw/zinc/76/52/50/640765250.db2.gz PFVBSZQSNRYSFM-MCIONIFRSA-N 0 0 294.414 3.302 20 10 CGCDRN Oc1ccc(-c2nc3cc(N4CCCC4)ccc3[nH]2)cc1O ZINC001250465095 805634105 /nfs/dbraw/zinc/63/41/05/805634105.db2.gz YBRNXMZDPLONEE-UHFFFAOYSA-N 0 0 295.342 3.241 20 10 CGCDRN C[C@H](CC(=O)NCc1c(O)cccc1O)C1CCCCC1 ZINC001156881078 805745775 /nfs/dbraw/zinc/74/57/75/805745775.db2.gz OGGKFPGNZJXXOC-GFCCVEGCSA-N 0 0 291.391 3.321 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)C1(CCF)CC1 ZINC001157041752 805768464 /nfs/dbraw/zinc/76/84/64/805768464.db2.gz MHYSEKKHYNMPTB-UHFFFAOYSA-N 0 0 287.334 3.301 20 10 CGCDRN Cc1ccc(Cl)c2nc(-c3cc(O)c(O)cc3O)[nH]c21 ZINC001251355556 805886435 /nfs/dbraw/zinc/88/64/35/805886435.db2.gz SQGMGFQMEVIHTE-UHFFFAOYSA-N 0 0 290.706 3.309 20 10 CGCDRN CCOc1ccc(-c2nnc(-c3ccc(O)c(O)c3)o2)cc1 ZINC001252050053 805980302 /nfs/dbraw/zinc/98/03/02/805980302.db2.gz KBNANPGVPYCFHY-UHFFFAOYSA-N 0 0 298.298 3.214 20 10 CGCDRN CCOc1ccc(Cl)nc1NCc1ccc(O)c(O)c1 ZINC001158995941 806028644 /nfs/dbraw/zinc/02/86/44/806028644.db2.gz SPMOHMCOFNGDGN-UHFFFAOYSA-N 0 0 294.738 3.157 20 10 CGCDRN Oc1ccc(CNc2ncc(F)c3ccccc32)cc1O ZINC001158995509 806029253 /nfs/dbraw/zinc/02/92/53/806029253.db2.gz HTPAWEUHYDRIPP-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN CCCCOC[C@H](O)CNc1ccccc1OCCC ZINC001252522864 806055195 /nfs/dbraw/zinc/05/51/95/806055195.db2.gz GVRSMBLRFPBXGO-CQSZACIVSA-N 0 0 281.396 3.065 20 10 CGCDRN Cc1nc(Cl)c(Nc2ccc(N)cc2)c(Cl)n1 ZINC001159215625 806060637 /nfs/dbraw/zinc/06/06/37/806060637.db2.gz NOPXXUIGAOIDRK-UHFFFAOYSA-N 0 0 269.135 3.418 20 10 CGCDRN COc1ccc(Nc2ccc3c(c2)CCCN3)cc1N ZINC001160311404 806255249 /nfs/dbraw/zinc/25/52/49/806255249.db2.gz QOFKYUGRPSWMCN-UHFFFAOYSA-N 0 0 269.348 3.379 20 10 CGCDRN Cc1cccc(-c2nnc(CCc3ccc(O)c(O)c3)o2)c1 ZINC001253659958 806275751 /nfs/dbraw/zinc/27/57/51/806275751.db2.gz GFDMCLJIIOQAAQ-UHFFFAOYSA-N 0 0 296.326 3.241 20 10 CGCDRN Cc1cc(C)c(CNc2nnc(C)cc2C)c(O)c1 ZINC001160808339 806305813 /nfs/dbraw/zinc/30/58/13/806305813.db2.gz QCDQOGVMGDJOCS-UHFFFAOYSA-N 0 0 257.337 3.028 20 10 CGCDRN CCCc1ccnc(NCc2c(C)cc(C)cc2O)n1 ZINC001160810085 806306375 /nfs/dbraw/zinc/30/63/75/806306375.db2.gz IUSSECNGCABYCP-UHFFFAOYSA-N 0 0 271.364 3.364 20 10 CGCDRN Oc1cccc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)c1O ZINC001254512923 806432771 /nfs/dbraw/zinc/43/27/71/806432771.db2.gz LXWJKVXDZSIPAD-STQMWFEESA-N 0 0 294.310 3.419 20 10 CGCDRN Nc1ccc(CNc2cc3c(Cl)ccnc3cn2)cc1 ZINC001162786174 806665754 /nfs/dbraw/zinc/66/57/54/806665754.db2.gz SCNVBZHPIDECKA-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN Nc1ccc(CNc2nnc(Cl)c3ccoc32)cc1 ZINC001162785881 806666127 /nfs/dbraw/zinc/66/61/27/806666127.db2.gz NATNQOMIVYTRRN-UHFFFAOYSA-N 0 0 274.711 3.071 20 10 CGCDRN CCOCc1nc(Cl)cc(Sc2nccs2)n1 ZINC000130280820 799025278 /nfs/dbraw/zinc/02/52/78/799025278.db2.gz ZNVSSRTVZMHHKG-UHFFFAOYSA-N 0 0 287.797 3.274 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC2(C)C)cc1 ZINC000176405047 799096606 /nfs/dbraw/zinc/09/66/06/799096606.db2.gz NZFHVPUXWORFCY-OAHLLOKOSA-N 0 0 289.423 3.131 20 10 CGCDRN Cc1cccc(CCC(=O)N(C)Cc2ccccc2O)c1 ZINC000383770161 799408352 /nfs/dbraw/zinc/40/83/52/799408352.db2.gz UNKPEDPEWNJRBE-UHFFFAOYSA-N 0 0 283.371 3.292 20 10 CGCDRN CC(C)OCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000396322480 799508401 /nfs/dbraw/zinc/50/84/01/799508401.db2.gz AJVOXCOFJXGYKD-UHFFFAOYSA-N 0 0 271.788 3.339 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000397982271 799524260 /nfs/dbraw/zinc/52/42/60/799524260.db2.gz SBHDTCZWQYRGEC-KKZNHRDASA-N 0 0 255.358 3.076 20 10 CGCDRN CC(C)[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000398497819 799531854 /nfs/dbraw/zinc/53/18/54/799531854.db2.gz IRSMKYOUAMDBRU-ZDUSSCGKSA-N 0 0 292.206 3.196 20 10 CGCDRN CC[C@@](C)([NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703234473 799920376 /nfs/dbraw/zinc/92/03/76/799920376.db2.gz RRBPCIONFZVEER-CQSZACIVSA-N 0 0 255.308 3.339 20 10 CGCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(F)(F)F ZINC000703382609 799924728 /nfs/dbraw/zinc/92/47/28/799924728.db2.gz ORAWSUSFPYFTRL-ZETCQYMHSA-N 0 0 283.240 3.349 20 10 CGCDRN CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703553699 799926131 /nfs/dbraw/zinc/92/61/31/799926131.db2.gz DNULNXHMBGFITG-LLVKDONJSA-N 0 0 285.334 3.060 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000708495449 799990118 /nfs/dbraw/zinc/99/01/18/799990118.db2.gz BKOWXIOZMQBWGG-QMTHXVAHSA-N 0 0 253.292 3.093 20 10 CGCDRN CC(C)c1nn(C)cc1NCc1cc(F)cc(F)c1O ZINC000708480839 799990456 /nfs/dbraw/zinc/99/04/56/799990456.db2.gz MQERSIFSTZPMBU-UHFFFAOYSA-N 0 0 281.306 3.139 20 10 CGCDRN C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534855 799990550 /nfs/dbraw/zinc/99/05/50/799990550.db2.gz FHVRFQZOUHMBEZ-VIFPVBQESA-N 0 0 283.343 3.453 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711846678 800076344 /nfs/dbraw/zinc/07/63/44/800076344.db2.gz PYWQGZBFTFANCR-ZFWWWQNUSA-N 0 0 295.810 3.340 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)sc2C)cc1OC ZINC001116359194 802335617 /nfs/dbraw/zinc/33/56/17/802335617.db2.gz QDVOEDYXKVNXEM-UHFFFAOYSA-N 0 0 292.404 3.414 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c(O)c1O ZINC001116512549 802368535 /nfs/dbraw/zinc/36/85/35/802368535.db2.gz SKIVJLIOPYNPGT-OLZOCXBDSA-N 0 0 289.375 3.059 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001118516260 802579088 /nfs/dbraw/zinc/57/90/88/802579088.db2.gz BDXPVBDZYYOXDC-QWRGUYRKSA-N 0 0 265.378 3.106 20 10 CGCDRN CS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508258 802674101 /nfs/dbraw/zinc/67/41/01/802674101.db2.gz YKCDYDKNKBLYKE-NEPJUHHUSA-N 0 0 287.375 3.386 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1(C)CC1 ZINC001123747072 802967307 /nfs/dbraw/zinc/96/73/07/802967307.db2.gz OIMAJNDAHNEGAS-AWEZNQCLSA-N 0 0 299.418 3.051 20 10 CGCDRN CO[C@@H]1CC=C(c2ccc(N3CCOCC3)cc2)CC1 ZINC001243808098 803022962 /nfs/dbraw/zinc/02/29/62/803022962.db2.gz OTCQIYSCBZXPBY-QGZVFWFLSA-N 0 0 273.376 3.106 20 10 CGCDRN COc1ccc2c(c1)CCN2C(=O)/C(C)=C\c1cccnc1 ZINC001125503430 803064532 /nfs/dbraw/zinc/06/45/32/803064532.db2.gz NLXAVGCTKHDEKR-RAXLEYEMSA-N 0 0 294.354 3.083 20 10 CGCDRN CSc1ccc(N(C)C(=O)/C=C(\C)c2cnccn2)cc1 ZINC001126092421 803083115 /nfs/dbraw/zinc/08/31/15/803083115.db2.gz ZOTNWFCGHHRZBJ-ZRDIBKRKSA-N 0 0 299.399 3.265 20 10 CGCDRN CC(C)[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc21 ZINC001128569634 803196866 /nfs/dbraw/zinc/19/68/66/803196866.db2.gz RNLGMKNPZVDAMZ-FDMDGMSGSA-N 0 0 295.386 3.220 20 10 CGCDRN CCn1ccc(-c2cc(C(F)(F)F)cnc2C)cc1=O ZINC001244260842 803268429 /nfs/dbraw/zinc/26/84/29/803268429.db2.gz CKEDSTWRXSWFRP-UHFFFAOYSA-N 0 0 282.265 3.257 20 10 CGCDRN O=c1cc(-c2ccc(Cl)c3c[nH]nc32)ccn1CC1CC1 ZINC001244399953 803348650 /nfs/dbraw/zinc/34/86/50/803348650.db2.gz RFDAHHPGILHECZ-UHFFFAOYSA-N 0 0 299.761 3.455 20 10 CGCDRN Cn1ccc2ncc(-c3cnc(Br)s3)cc21 ZINC001244905690 803570465 /nfs/dbraw/zinc/57/04/65/803570465.db2.gz BCHNXYHXKLBTMO-UHFFFAOYSA-N 0 0 294.177 3.459 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cn(C)c2cnccc12 ZINC001245484307 803760835 /nfs/dbraw/zinc/76/08/35/803760835.db2.gz BOWUYDBOERWLAK-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN Oc1cccc(F)c1CN1CCCC(F)(F)[C@H](F)C1 ZINC001137832818 803777818 /nfs/dbraw/zinc/77/78/18/803777818.db2.gz JHBYPIRPWONRHQ-GFCCVEGCSA-N 0 0 277.261 3.101 20 10 CGCDRN Cc1cc2c(cccc2-c2cnc(N)c(F)c2)n1C ZINC001245521912 803787401 /nfs/dbraw/zinc/78/74/01/803787401.db2.gz HHUUKZHVYPJLAW-UHFFFAOYSA-N 0 0 255.296 3.270 20 10 CGCDRN Cc1cc(CN2C[C@H]3C[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC001137859281 803787976 /nfs/dbraw/zinc/78/79/76/803787976.db2.gz RGEUAOPFEREXNM-HDICACEKSA-N 0 0 282.387 3.067 20 10 CGCDRN Oc1c(F)cccc1CN1Cc2cccc(F)c2C1 ZINC001138128703 803864453 /nfs/dbraw/zinc/86/44/53/803864453.db2.gz VODNVVYFUWKBJN-UHFFFAOYSA-N 0 0 261.271 3.186 20 10 CGCDRN CSc1cnc(F)c(-c2cnc3ccn(C)c3c2)c1 ZINC001245763623 803949032 /nfs/dbraw/zinc/94/90/32/803949032.db2.gz TZGOQYVPVZVKSA-UHFFFAOYSA-N 0 0 273.336 3.496 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2ccc(Cl)nc2C)n1 ZINC001245768500 803952406 /nfs/dbraw/zinc/95/24/06/803952406.db2.gz GZXMWQBHFFRDKJ-UHFFFAOYSA-N 0 0 272.739 3.301 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1cccnc1F ZINC001138791264 804039904 /nfs/dbraw/zinc/03/99/04/804039904.db2.gz WQKMHUTYYLNJJN-UHFFFAOYSA-N 0 0 287.382 3.309 20 10 CGCDRN Cc1cc(CN(C)CC(F)(F)F)ccc1N(C)C ZINC001139669954 804247979 /nfs/dbraw/zinc/24/79/79/804247979.db2.gz RDRKDZIBDAAWGC-UHFFFAOYSA-N 0 0 260.303 3.055 20 10 CGCDRN CCC1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685523 804251907 /nfs/dbraw/zinc/25/19/07/804251907.db2.gz MTGAFQSVSFMYRX-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN COCC[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139682636 804253075 /nfs/dbraw/zinc/25/30/75/804253075.db2.gz AAPRYACAJXZOGN-NSHDSACASA-N 0 0 285.334 3.061 20 10 CGCDRN C[N@@H+](Cc1c(F)ccc(F)c1[O-])CC1CCCC1 ZINC001139686331 804254689 /nfs/dbraw/zinc/25/46/89/804254689.db2.gz USFBZXMWTVUIFF-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN CCN(Cc1ncc(C)s1)Cc1ccccc1O ZINC001139812574 804287335 /nfs/dbraw/zinc/28/73/35/804287335.db2.gz FACGOGPPANRUHW-UHFFFAOYSA-N 0 0 262.378 3.179 20 10 CGCDRN C[C@@H]1CCN(Cc2cc(F)ccc2O)CC1(F)F ZINC001140058351 804364894 /nfs/dbraw/zinc/36/48/94/804364894.db2.gz XHJSSMIWKLQKNT-SECBINFHSA-N 0 0 259.271 3.008 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001140466053 804444096 /nfs/dbraw/zinc/44/40/96/804444096.db2.gz VPKDHPRSICGCME-LLVKDONJSA-N 0 0 287.787 3.075 20 10 CGCDRN C[C@@]1(F)CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140582348 804466098 /nfs/dbraw/zinc/46/60/98/804466098.db2.gz GRPWONSGMSJHLC-CQSZACIVSA-N 0 0 273.298 3.385 20 10 CGCDRN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583615 804468786 /nfs/dbraw/zinc/46/87/86/804468786.db2.gz NYRPCUJSQYPMBF-LLVKDONJSA-N 0 0 255.308 3.435 20 10 CGCDRN Oc1cc(Cl)cc(CN2CCc3cccc(O)c3C2)c1 ZINC001140790717 804514741 /nfs/dbraw/zinc/51/47/41/804514741.db2.gz ILYWBDVSXXKAPQ-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924119 804550781 /nfs/dbraw/zinc/55/07/81/804550781.db2.gz DVVVZRVWUIEIHR-CYBMUJFWSA-N 0 0 294.826 3.207 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(Cl)c1 ZINC001140924397 804551046 /nfs/dbraw/zinc/55/10/46/804551046.db2.gz IGIKNULYGPPUKW-ZSOGYDGISA-N 0 0 282.790 3.053 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC001140924690 804551107 /nfs/dbraw/zinc/55/11/07/804551107.db2.gz MMAHYAGAZNAMOT-CJNGLKHVSA-N 0 0 294.826 3.017 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c(OC)c1 ZINC001141032326 804574589 /nfs/dbraw/zinc/57/45/89/804574589.db2.gz YINNTILDQMRQPN-CHWSQXEVSA-N 0 0 293.407 3.277 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001142508897 804727732 /nfs/dbraw/zinc/72/77/32/804727732.db2.gz PCMGYPUXRPSGJY-OAHLLOKOSA-N 0 0 290.313 3.403 20 10 CGCDRN CC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524588 804731776 /nfs/dbraw/zinc/73/17/76/804731776.db2.gz BZHUYVRVTCMLJE-NSHDSACASA-N 0 0 255.308 3.435 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1C(F)F ZINC001142762967 804765727 /nfs/dbraw/zinc/76/57/27/804765727.db2.gz QTJRZDOHQZNXDG-UHFFFAOYSA-N 0 0 293.269 3.217 20 10 CGCDRN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001142925903 804785128 /nfs/dbraw/zinc/78/51/28/804785128.db2.gz RPEASFYQEIVXIB-AWEZNQCLSA-N 0 0 291.391 3.115 20 10 CGCDRN Cc1ncc2n1CCN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143105451 804803840 /nfs/dbraw/zinc/80/38/40/804803840.db2.gz WKPJUDRMOFCNDP-UHFFFAOYSA-N 0 0 299.418 3.210 20 10 CGCDRN Cc1ccc(F)c(-c2noc(Cc3ccc(N)cc3)n2)c1 ZINC001248185752 804892076 /nfs/dbraw/zinc/89/20/76/804892076.db2.gz FIDKZFVQRZIJQR-UHFFFAOYSA-N 0 0 283.306 3.357 20 10 CGCDRN C/C=C(\C)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001143945135 804912589 /nfs/dbraw/zinc/91/25/89/804912589.db2.gz RFLVYENQHSDYFG-YCRREMRBSA-N 0 0 290.750 3.176 20 10 CGCDRN Oc1cccc(NC(=S)Nc2cc(F)ccc2F)c1O ZINC001248589875 804957216 /nfs/dbraw/zinc/95/72/16/804957216.db2.gz ZFJFEVYSMUAVHH-UHFFFAOYSA-N 0 0 296.298 3.185 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(CF)cc2)c1 ZINC001147961629 805157083 /nfs/dbraw/zinc/15/70/83/805157083.db2.gz FXJQKNKRNIVFRZ-UHFFFAOYSA-N 0 0 273.307 3.100 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc2c(c1)CCC2 ZINC001153255873 805390736 /nfs/dbraw/zinc/39/07/36/805390736.db2.gz KGGQSOXZYDXVTK-LLVKDONJSA-N 0 0 297.354 3.078 20 10 CGCDRN CCN(Cc1ccccc1O)c1ccc(C2CC2)nn1 ZINC001154889190 805504810 /nfs/dbraw/zinc/50/48/10/805504810.db2.gz SOQNXTLJYYMHRC-UHFFFAOYSA-N 0 0 269.348 3.086 20 10 CGCDRN CCN(Cc1ccccc1O)c1cnc(-c2ccco2)cn1 ZINC001154890349 805505626 /nfs/dbraw/zinc/50/56/26/805505626.db2.gz WNLKAUMUIAHFOV-UHFFFAOYSA-N 0 0 295.342 3.469 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc(C)cc1F ZINC001154889787 805505881 /nfs/dbraw/zinc/50/58/81/805505881.db2.gz HIDQKFIBPFJCPG-UHFFFAOYSA-N 0 0 260.312 3.261 20 10 CGCDRN c1cn(CCC2=CCN(c3ccccc3)CC2)cn1 ZINC001250319561 805563775 /nfs/dbraw/zinc/56/37/75/805563775.db2.gz VIGCFSBOQRFHOA-UHFFFAOYSA-N 0 0 253.349 3.110 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(N[C@@](C)(C(N)=O)C(C)C)cc1 ZINC001167415390 807191712 /nfs/dbraw/zinc/19/17/12/807191712.db2.gz OTMQFQGMXMWPDB-GOSISDBHSA-N 0 0 299.418 3.406 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc(Cl)c2cccnc12 ZINC001167903041 807270131 /nfs/dbraw/zinc/27/01/31/807270131.db2.gz RTGSPXQHRUHLHM-PEGIJTEDSA-N 0 0 288.778 3.482 20 10 CGCDRN CNc1ccccc1NCCCc1ccc(C)nc1 ZINC001169257360 807616967 /nfs/dbraw/zinc/61/69/67/807616967.db2.gz MOTQKTYCNCRYMA-UHFFFAOYSA-N 0 0 255.365 3.476 20 10 CGCDRN Oc1ccc(CNc2cccc(C(F)(F)F)n2)cc1O ZINC001169992640 807735509 /nfs/dbraw/zinc/73/55/09/807735509.db2.gz JBYJONSBEIVGHH-UHFFFAOYSA-N 0 0 284.237 3.124 20 10 CGCDRN Cc1c[nH]c2cccc(NCc3ccc(O)c(O)c3)c12 ZINC001169995314 807736174 /nfs/dbraw/zinc/73/61/74/807736174.db2.gz YPYLRLOTIAVUKF-UHFFFAOYSA-N 0 0 268.316 3.500 20 10 CGCDRN O=C(CNc1cccc(C(F)F)c1)c1ccc(O)c(O)c1 ZINC001170315448 807825508 /nfs/dbraw/zinc/82/55/08/807825508.db2.gz ZFMZTGUIDFFMBO-UHFFFAOYSA-N 0 0 293.269 3.330 20 10 CGCDRN CC1(C)[C@@H]2C[C@H]([N@@H+]3CCc4cccc(O)c4C3)C[C@@H]21 ZINC001170765250 807902516 /nfs/dbraw/zinc/90/25/16/807902516.db2.gz RITLAMPOAMIUTP-YOWGUQMCSA-N 0 0 257.377 3.185 20 10 CGCDRN CC(C)(C)c1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001263894568 808018827 /nfs/dbraw/zinc/01/88/27/808018827.db2.gz MHORLYDHTPFVRN-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN CC(C)(C)SCCCC(=O)NCc1cccc(O)c1O ZINC001263894497 808019387 /nfs/dbraw/zinc/01/93/87/808019387.db2.gz JJNPRVOQBZQJNQ-UHFFFAOYSA-N 0 0 297.420 3.026 20 10 CGCDRN Cc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1F ZINC001171729646 808126542 /nfs/dbraw/zinc/12/65/42/808126542.db2.gz FLRGHZAHGRDPPD-NSHDSACASA-N 0 0 273.307 3.331 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001171745908 808130749 /nfs/dbraw/zinc/13/07/49/808130749.db2.gz HONAHSZBWFFNSQ-STQMWFEESA-N 0 0 289.297 3.241 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc3ncsc3c2)cc1 ZINC001174364956 808977491 /nfs/dbraw/zinc/97/74/91/808977491.db2.gz SVKBWOLWRMLBSN-UHFFFAOYSA-N 0 0 285.372 3.009 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)c2cncnc2)cc1 ZINC001174386207 808987435 /nfs/dbraw/zinc/98/74/35/808987435.db2.gz LMRAOROEBSAEFO-UHFFFAOYSA-N 0 0 276.343 3.397 20 10 CGCDRN O=C(c1cncc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001175031269 809245999 /nfs/dbraw/zinc/24/59/99/809245999.db2.gz UHVLOOIUBXZOOR-UHFFFAOYSA-N 0 0 290.322 3.096 20 10 CGCDRN CCOc1cccc(Nc2cccc(O)c2O)c1F ZINC001175236290 809318798 /nfs/dbraw/zinc/31/87/98/809318798.db2.gz FGJDPFCXJCRWET-UHFFFAOYSA-N 0 0 263.268 3.379 20 10 CGCDRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC001292766447 809437075 /nfs/dbraw/zinc/43/70/75/809437075.db2.gz MACMENULSIHFGP-JSGCOSHPSA-N 0 0 291.391 3.433 20 10 CGCDRN C/C(=C\C(=O)NCc1ccccc1O)c1ccccc1C ZINC001294924764 809478356 /nfs/dbraw/zinc/47/83/56/809478356.db2.gz JBKOVCFOLKJWNL-SDNWHVSQSA-N 0 0 281.355 3.420 20 10 CGCDRN CC(C)=CCC[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC001298121658 809528540 /nfs/dbraw/zinc/52/85/40/809528540.db2.gz HIBAJHRJQKHPLJ-GFCCVEGCSA-N 0 0 277.364 3.271 20 10 CGCDRN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC001302538380 809597075 /nfs/dbraw/zinc/59/70/75/809597075.db2.gz PGTRCSXYUGCLQG-LBPRGKRZSA-N 0 0 297.354 3.394 20 10 CGCDRN Cc1ncc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001176401099 809687515 /nfs/dbraw/zinc/68/75/15/809687515.db2.gz OAXVYRQDTMZCNB-UHFFFAOYSA-N 0 0 290.326 3.155 20 10 CGCDRN CC(C)=CCC[C@H](C)CC(=O)NCc1cc(O)ccc1O ZINC001176754713 809758646 /nfs/dbraw/zinc/75/86/46/809758646.db2.gz FQDPYUDMRCAVEI-ZDUSSCGKSA-N 0 0 291.391 3.487 20 10 CGCDRN O=C([C@@H]1C[C@H]1c1cccs1)N1CCc2cccc(O)c2C1 ZINC001177541163 809806567 /nfs/dbraw/zinc/80/65/67/809806567.db2.gz SUQVCBDCXSGEBO-CHWSQXEVSA-N 0 0 299.395 3.142 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC001178152609 809848731 /nfs/dbraw/zinc/84/87/31/809848731.db2.gz OLEQMPYIYOXPKV-VIFPVBQESA-N 0 0 287.762 3.089 20 10 CGCDRN CN(C)c1ccc(/C=C/C(=O)N(C)C[C@H]2CC2(C)C)cc1 ZINC001180126066 809976262 /nfs/dbraw/zinc/97/62/62/809976262.db2.gz BYVBNKCJWOSBDF-KUCQQTCKSA-N 0 0 286.419 3.270 20 10 CGCDRN CCCn1cncc1CN1CCCc2cc(OC)ccc21 ZINC001180715615 810019080 /nfs/dbraw/zinc/01/90/80/810019080.db2.gz BXBOIFZRBAESAP-UHFFFAOYSA-N 0 0 285.391 3.255 20 10 CGCDRN CCc1cccc(CNc2cccc(N(C)C(N)=O)c2)c1O ZINC001181361330 810049013 /nfs/dbraw/zinc/04/90/13/810049013.db2.gz OWVOGXZTCLVVIN-UHFFFAOYSA-N 0 0 299.374 3.082 20 10 CGCDRN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCc2cccc(O)c2C1 ZINC001181446250 810052624 /nfs/dbraw/zinc/05/26/24/810052624.db2.gz GFHKPTLCCLPEOH-HZPDHXFCSA-N 0 0 293.366 3.081 20 10 CGCDRN Cc1cccc(CC(=O)N2CCc3cccc(O)c3C2)c1C ZINC001183257823 810143038 /nfs/dbraw/zinc/14/30/38/810143038.db2.gz LGORXXDKMLSXPD-UHFFFAOYSA-N 0 0 295.382 3.136 20 10 CGCDRN COc1cc(C)c(CNCc2ncc(Cl)s2)c(O)c1 ZINC001183671369 810156397 /nfs/dbraw/zinc/15/63/97/810156397.db2.gz HIONAPJNQWBEAB-UHFFFAOYSA-N 0 0 298.795 3.109 20 10 CGCDRN CC[C@@H](C)CCC(=O)N1CCc2cccc(O)c2C1 ZINC001185569967 810276102 /nfs/dbraw/zinc/27/61/02/810276102.db2.gz SUCINMKPCANNCR-GFCCVEGCSA-N 0 0 261.365 3.103 20 10 CGCDRN C[C@H](NC(=O)Nc1cccc(O)c1O)C1CCCCC1 ZINC001186394516 810335121 /nfs/dbraw/zinc/33/51/21/810335121.db2.gz HOIQGMPDEOGRSZ-JTQLQIEISA-N 0 0 278.352 3.188 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(F)ccc2F)c1 ZINC001214159105 815374589 /nfs/dbraw/zinc/37/45/89/815374589.db2.gz CUFBFCYVYDRSQE-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN COCOc1ccc(C)c(Nc2ccc(N)cc2)c1 ZINC001214369207 815402548 /nfs/dbraw/zinc/40/25/48/815402548.db2.gz YXPNNZOLUOUQHI-UHFFFAOYSA-N 0 0 258.321 3.304 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(F)ccc2C)c1 ZINC001214448179 815409730 /nfs/dbraw/zinc/40/97/30/815409730.db2.gz BRUAPIICUQQXSH-UHFFFAOYSA-N 0 0 288.322 3.470 20 10 CGCDRN CCCOC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001194139470 811019566 /nfs/dbraw/zinc/01/95/66/811019566.db2.gz MABGOYAVKRDTQE-UHFFFAOYSA-N 0 0 294.738 3.230 20 10 CGCDRN Cc1ccc(F)cc1NC(=S)NCc1cccc(F)n1 ZINC001195926625 811302477 /nfs/dbraw/zinc/30/24/77/811302477.db2.gz ZKOHHXBAIIQRAW-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1ccc(F)cc1NC(=S)NCc1cc(F)ccn1 ZINC001195937714 811304063 /nfs/dbraw/zinc/30/40/63/811304063.db2.gz UHXIWEIBRRLLFA-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Oc1cccc(NC(=S)Nc2cccc(F)c2)c1O 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COC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237077712 819660325 /nfs/dbraw/zinc/66/03/25/819660325.db2.gz JRCBZSZHKHDZAL-SECBINFHSA-N 0 0 290.190 3.310 20 10 CGCDRN COC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237077713 819660819 /nfs/dbraw/zinc/66/08/19/819660819.db2.gz JRCBZSZHKHDZAL-VIFPVBQESA-N 0 0 290.190 3.310 20 10 CGCDRN C[C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)C[C@H](C)O1 ZINC001237077828 819661167 /nfs/dbraw/zinc/66/11/67/819661167.db2.gz KRHWKNGTFYHYNC-IUCAKERBSA-N 0 0 290.190 3.308 20 10 CGCDRN CO[C@@H](C)C1C[NH+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085737 819663925 /nfs/dbraw/zinc/66/39/25/819663925.db2.gz HGCBUDNBXWSZBV-QMMMGPOBSA-N 0 0 290.190 3.166 20 10 CGCDRN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084821 819663994 /nfs/dbraw/zinc/66/39/94/819663994.db2.gz OAJHCQQAZIRYRA-BDAKNGLRSA-N 0 0 290.190 3.044 20 10 CGCDRN Oc1ccc(F)c(Cl)c1CN1CCn2cccc2C1 ZINC001237123940 819673473 /nfs/dbraw/zinc/67/34/73/819673473.db2.gz HZYZZHSUYSJSBR-UHFFFAOYSA-N 0 0 280.730 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Cc1cc(CC(=O)NC[C@H]2C[C@H]2C)c(C)n1-c1ccccc1 ZINC001540818496 938134283 /nfs/dbraw/zinc/13/42/83/938134283.db2.gz VQXXIEAMUKIBPO-CXAGYDPISA-N 0 0 296.414 3.409 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C/c2ccccc2F)c1 ZINC001557552294 938210606 /nfs/dbraw/zinc/21/06/06/938210606.db2.gz FVRLVJDGKCVYEX-VQHVLOKHSA-N 0 0 285.318 3.169 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C\c2ccccc2F)c1 ZINC001557552293 938210697 /nfs/dbraw/zinc/21/06/97/938210697.db2.gz FVRLVJDGKCVYEX-CLFYSBASSA-N 0 0 285.318 3.169 20 10 CGCDRN Cc1cccc(Cl)c1C(=O)NCc1c(O)cccc1F ZINC001558454241 938215590 /nfs/dbraw/zinc/21/55/90/938215590.db2.gz CGRQHOMIAXZWTI-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN O=C(NCc1c(O)cccc1O)c1csc2ccccc12 ZINC001558534261 938216146 /nfs/dbraw/zinc/21/61/46/938216146.db2.gz RXVYBFLVZSGLBC-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc(F)n1 ZINC001558553813 938216209 /nfs/dbraw/zinc/21/62/09/938216209.db2.gz BGLVJUCCTZKGDG-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN CC(C)Oc1ccc(N(C)CC[C@@H]2COC(C)(C)O2)cc1 ZINC001559748138 938234223 /nfs/dbraw/zinc/23/42/23/938234223.db2.gz AMPQCFAIFVLBQJ-MRXNPFEDSA-N 0 0 293.407 3.452 20 10 CGCDRN CCn1cc(CCN(C)c2ccc(OC(C)C)cc2)cn1 ZINC001559748337 938234401 /nfs/dbraw/zinc/23/44/01/938234401.db2.gz ILISWFCAXBRPTA-UHFFFAOYSA-N 0 0 287.407 3.369 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N)cc2)[C@H]1C ZINC001576680064 962483879 /nfs/dbraw/zinc/48/38/79/962483879.db2.gz YCTGVKSUNLWXLD-VNHYZAJKSA-N 0 0 289.423 3.140 20 10 CGCDRN c1csc(SCCCCCCc2c[nH]nn2)n1 ZINC001578052638 962568145 /nfs/dbraw/zinc/56/81/45/962568145.db2.gz FBMSVOAIGVWZPG-UHFFFAOYSA-N 0 0 268.411 3.156 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C\c1cccnc1C ZINC001585669638 963037105 /nfs/dbraw/zinc/03/71/05/963037105.db2.gz XLNIUFHBSKQUJE-KHPPLWFESA-N 0 0 282.343 3.075 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)c1 ZINC001591974165 976584553 /nfs/dbraw/zinc/58/45/53/976584553.db2.gz PWIHOVLYRPLNFE-LBPRGKRZSA-N 0 0 291.391 3.343 20 10 CGCDRN CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC001594787545 981822063 /nfs/dbraw/zinc/82/20/63/981822063.db2.gz HONLLQSCSIZXFD-KRWDZBQOSA-N 0 0 291.391 3.166 20 10 CGCDRN CCCC[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)C(=O)[O-] ZINC001595638329 981944144 /nfs/dbraw/zinc/94/41/44/981944144.db2.gz OJKSMMVXHDLHCY-AWEZNQCLSA-N 0 0 279.380 3.249 20 10 CGCDRN CSCCCCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599799293 988148559 /nfs/dbraw/zinc/14/85/59/988148559.db2.gz CFVFZEBENYMIPW-LLVKDONJSA-N 0 0 297.420 3.274 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001594423878 999584329 /nfs/dbraw/zinc/58/43/29/999584329.db2.gz JZLCDKJELWOVJH-IUODEOHRSA-N 0 0 291.391 3.201 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1 ZINC000026081473 344905605 /nfs/dbraw/zinc/90/56/05/344905605.db2.gz FEGFJVOMXHYNAE-UHFFFAOYSA-N 0 0 294.398 3.101 20 10 CGCDRN COc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000069772082 345385129 /nfs/dbraw/zinc/38/51/29/345385129.db2.gz NXGFSKXAVNCHOG-UHFFFAOYSA-N 0 0 298.386 3.033 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCc1cccs1 ZINC000077895883 345585921 /nfs/dbraw/zinc/58/59/21/345585921.db2.gz BKSGGNUTJKUCEF-UHFFFAOYSA-N 0 0 275.373 3.045 20 10 CGCDRN CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000390782137 799474295 /nfs/dbraw/zinc/47/42/95/799474295.db2.gz KXIKILLZZCOSBT-CABZTGNLSA-N 0 0 284.197 3.433 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000276965966 299342779 /nfs/dbraw/zinc/34/27/79/299342779.db2.gz SQCATCGYYUENGU-KWBADKCTSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747589 369630040 /nfs/dbraw/zinc/63/00/40/369630040.db2.gz XRHAAGIZRIFOOR-OLZOCXBDSA-N 0 0 280.387 3.056 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(C3CC3)n2)c1 ZINC000293910882 372521032 /nfs/dbraw/zinc/52/10/32/372521032.db2.gz LVEFKGJNYVOSKQ-UHFFFAOYSA-N 0 0 270.332 3.285 20 10 CGCDRN Oc1ccc(Br)cc1CN1CCC[C@H]1CF ZINC000294034478 372561074 /nfs/dbraw/zinc/56/10/74/372561074.db2.gz OMYJKHDWJOFHJJ-NSHDSACASA-N 0 0 288.160 3.089 20 10 CGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1C ZINC000294564701 372660548 /nfs/dbraw/zinc/66/05/48/372660548.db2.gz NDZZDMAGCGMTAR-UHFFFAOYSA-N 0 0 283.419 3.478 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000294743615 372670902 /nfs/dbraw/zinc/67/09/02/372670902.db2.gz QYKLCZMCYWCMBN-MWLCHTKSSA-N 0 0 287.762 3.184 20 10 CGCDRN CCn1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000294821844 372671611 /nfs/dbraw/zinc/67/16/11/372671611.db2.gz QLXGSJXFKFKVSF-CYBMUJFWSA-N 0 0 273.380 3.076 20 10 CGCDRN CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294825777 372675007 /nfs/dbraw/zinc/67/50/07/372675007.db2.gz KZGCXFRDXDUTGU-VIFPVBQESA-N 0 0 297.761 3.252 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000295243265 372715775 /nfs/dbraw/zinc/71/57/75/372715775.db2.gz LVMHIEOKOOUMAY-JHJVBQTASA-N 0 0 291.391 3.089 20 10 CGCDRN COC(=O)c1cnc(SC/C(Cl)=C/Cl)s1 ZINC000295416142 372771572 /nfs/dbraw/zinc/77/15/72/372771572.db2.gz XSJCSBDUPGPVOK-DJWKRKHSSA-N 0 0 284.189 3.341 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1ccc3c(c1)OCO3)CC2 ZINC000296668323 373216702 /nfs/dbraw/zinc/21/67/02/373216702.db2.gz FQPNCJXPAJRZOY-LBPRGKRZSA-N 0 0 269.300 3.220 20 10 CGCDRN C[C@H]1C[C@H](NCc2ccc3c(c2)CCCN3C)c2nccn21 ZINC000297634813 373277701 /nfs/dbraw/zinc/27/77/01/373277701.db2.gz JMYPWZYLUMLKJK-BBRMVZONSA-N 0 0 296.418 3.061 20 10 CGCDRN COc1ccc([C@H](C)CC(=O)NCc2ccc(N)cc2)cc1 ZINC000297110469 373256421 /nfs/dbraw/zinc/25/64/21/373256421.db2.gz FTKJWCWVJVGCQW-CYBMUJFWSA-N 0 0 298.386 3.087 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCOCC2)cc1 ZINC000298856330 373422352 /nfs/dbraw/zinc/42/23/52/373422352.db2.gz KHKCNDSRHDHGQC-UHFFFAOYSA-N 0 0 298.386 3.003 20 10 CGCDRN COc1ccc(OC)c(CSc2nccs2)c1 ZINC000299059585 373454156 /nfs/dbraw/zinc/45/41/56/373454156.db2.gz TYVJXEXXQRBXTM-UHFFFAOYSA-N 0 0 267.375 3.453 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000175972855 373543936 /nfs/dbraw/zinc/54/39/36/373543936.db2.gz JKRMOFYACGGDIM-UHFFFAOYSA-N 0 0 298.386 3.427 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc[nH]c1C ZINC000176147351 373561547 /nfs/dbraw/zinc/56/15/47/373561547.db2.gz GUXGGTBBRHSOFC-UHFFFAOYSA-N 0 0 272.348 3.081 20 10 CGCDRN Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000176985914 373646453 /nfs/dbraw/zinc/64/64/53/373646453.db2.gz MJJLIVMGQIGAOK-JSGCOSHPSA-N 0 0 297.402 3.360 20 10 CGCDRN CN(Cc1ccccc1O)c1ccc(Br)cn1 ZINC000302658957 373918805 /nfs/dbraw/zinc/91/88/05/373918805.db2.gz OOYCGXALKVMETA-UHFFFAOYSA-N 0 0 293.164 3.186 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C(C)C)c2)cc1F ZINC000180774814 374044611 /nfs/dbraw/zinc/04/46/11/374044611.db2.gz MHKCGSQTANUFBV-UHFFFAOYSA-N 0 0 277.343 3.248 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1O)CCC2 ZINC000182422712 374271985 /nfs/dbraw/zinc/27/19/85/374271985.db2.gz BABFKQHVQIKLIF-UHFFFAOYSA-N 0 0 297.354 3.308 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182478413 374278646 /nfs/dbraw/zinc/27/86/46/374278646.db2.gz OQJKJIJTFGOUAM-SNVBAGLBSA-N 0 0 271.788 3.339 20 10 CGCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000182636806 374301693 /nfs/dbraw/zinc/30/16/93/374301693.db2.gz CGTKHRGULLDPQD-CHWSQXEVSA-N 0 0 262.397 3.051 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1CCCC1 ZINC000183419277 374412583 /nfs/dbraw/zinc/41/25/83/374412583.db2.gz VINWSPKVYCZAKB-GFCCVEGCSA-N 0 0 291.391 3.115 20 10 CGCDRN C[C@H](Nc1cnn(CC(F)F)c1)c1ccccc1O ZINC000183664518 374441256 /nfs/dbraw/zinc/44/12/56/374441256.db2.gz BQRUOTUGYKKNIF-VIFPVBQESA-N 0 0 267.279 3.027 20 10 CGCDRN CCC[C@H]1C[C@@H]1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471999729 375010102 /nfs/dbraw/zinc/01/01/02/375010102.db2.gz BOLCMWIOQSVOKB-ZFWWWQNUSA-N 0 0 299.418 3.475 20 10 CGCDRN COCCC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187799197 375096467 /nfs/dbraw/zinc/09/64/67/375096467.db2.gz KGBDYPMOXOMCPH-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN CS[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187803250 375097972 /nfs/dbraw/zinc/09/79/72/375097972.db2.gz XSOHBHTTZFKSMM-JGVFFNPUSA-N 0 0 261.337 3.073 20 10 CGCDRN CCOC1CC(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000189256123 375350967 /nfs/dbraw/zinc/35/09/67/375350967.db2.gz YNLIVFMKCVKGGI-DCBWTQNWSA-N 0 0 281.371 3.387 20 10 CGCDRN CN(C(=O)C=Cc1c[nH]cn1)c1ccc2ccccc2c1 ZINC000492811830 375454018 /nfs/dbraw/zinc/45/40/18/375454018.db2.gz LNOMGBRAFZNKAB-CLFYSBASSA-N 0 0 277.327 3.239 20 10 CGCDRN Cc1csc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])n1 ZINC000191194804 375592132 /nfs/dbraw/zinc/59/21/32/375592132.db2.gz KBJUZGBOPCOHHP-MRVPVSSYSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@@H]([NH2+]CC1(C)COC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192859751 375795483 /nfs/dbraw/zinc/79/54/83/375795483.db2.gz HADALDOKRZVELS-MRVPVSSYSA-N 0 0 290.190 3.386 20 10 CGCDRN CCCOc1cncc(NCc2cccc(C)c2O)c1 ZINC000529649961 375931718 /nfs/dbraw/zinc/93/17/18/375931718.db2.gz FIBCPNDVYYYQIS-UHFFFAOYSA-N 0 0 272.348 3.497 20 10 CGCDRN C[C@@H](CO)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230159412 376491664 /nfs/dbraw/zinc/49/16/64/376491664.db2.gz UCWLVRTUCSTXOO-SECBINFHSA-N 0 0 292.206 3.197 20 10 CGCDRN COc1cccc(CNc2ccc(N3CCCC3)nc2)c1O ZINC000237432255 376742712 /nfs/dbraw/zinc/74/27/12/376742712.db2.gz RUIJAXNMTZZMFM-UHFFFAOYSA-N 0 0 299.374 3.008 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccnc1 ZINC000255563262 377766485 /nfs/dbraw/zinc/76/64/85/377766485.db2.gz FUWUFPHTQMJHEQ-VURMDHGXSA-N 0 0 287.750 3.196 20 10 CGCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000267035142 378030152 /nfs/dbraw/zinc/03/01/52/378030152.db2.gz GRVVTLXLJHPWMU-ZDUSSCGKSA-N 0 0 286.419 3.290 20 10 CGCDRN Cc1cnc(NC(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000344027948 378155703 /nfs/dbraw/zinc/15/57/03/378155703.db2.gz GHRZHRQUEUTOHD-UHFFFAOYSA-N 0 0 298.346 3.105 20 10 CGCDRN C[C@H](NCc1nccn1C)c1ccc(N2CCCCC2)cc1 ZINC000268944595 378158559 /nfs/dbraw/zinc/15/85/59/378158559.db2.gz WDTVVJDYLUYCEN-HNNXBMFYSA-N 0 0 298.434 3.261 20 10 CGCDRN CC[C@H](SC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000269459000 378224800 /nfs/dbraw/zinc/22/48/00/378224800.db2.gz FYUHORQCNDPTES-HNNXBMFYSA-N 0 0 294.464 3.243 20 10 CGCDRN COc1cc(C)nc(CSc2nccs2)c1 ZINC000270149619 378314667 /nfs/dbraw/zinc/31/46/67/378314667.db2.gz RAZGXWXOWBAYBW-UHFFFAOYSA-N 0 0 252.364 3.147 20 10 CGCDRN CCOc1ccc(N(CC)CCn2ccnc2C)cc1 ZINC000270884704 378410176 /nfs/dbraw/zinc/41/01/76/378410176.db2.gz NYNREPRSAVIFKG-UHFFFAOYSA-N 0 0 273.380 3.117 20 10 CGCDRN COc1ccc(O)c(C[NH+]2CCC(OC(C)(C)C)CC2)c1 ZINC000271739398 378502665 /nfs/dbraw/zinc/50/26/65/378502665.db2.gz QEUODPKALNXEBJ-UHFFFAOYSA-N 0 0 293.407 3.180 20 10 CGCDRN C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1cccs1 ZINC000271817681 378507651 /nfs/dbraw/zinc/50/76/51/378507651.db2.gz MHHBRCQPDJQAOQ-CQSZACIVSA-N 0 0 297.807 3.104 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000271893168 378512020 /nfs/dbraw/zinc/51/20/20/378512020.db2.gz XOEIFILVTITYNZ-UHFFFAOYSA-N 0 0 281.783 3.048 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCc1nccs1 ZINC000272000807 378542919 /nfs/dbraw/zinc/54/29/19/378542919.db2.gz VOKXRNFXTXYBFA-UHFFFAOYSA-N 0 0 282.796 3.225 20 10 CGCDRN CC(C)C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CCO1 ZINC000272674249 378687904 /nfs/dbraw/zinc/68/79/04/378687904.db2.gz UIGRJJKNFBBFEQ-KGLIPLIRSA-N 0 0 281.371 3.215 20 10 CGCDRN C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273361053 378741960 /nfs/dbraw/zinc/74/19/60/378741960.db2.gz AJKGUONSVRLRAQ-BDAKNGLRSA-N 0 0 295.276 3.149 20 10 CGCDRN CCn1cc(N[C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000273501064 378750065 /nfs/dbraw/zinc/75/00/65/378750065.db2.gz QEPKZTUTHREJIE-LBPRGKRZSA-N 0 0 259.353 3.399 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375215530 379488208 /nfs/dbraw/zinc/48/82/08/379488208.db2.gz XVAVVRBOUYWFFW-SFHVURJKSA-N 0 0 299.345 3.163 20 10 CGCDRN Cc1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)nn1C ZINC000282307035 379895300 /nfs/dbraw/zinc/89/53/00/379895300.db2.gz SWJDUTVBMUTRQX-HNNXBMFYSA-N 0 0 298.434 3.180 20 10 CGCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000285571672 380151150 /nfs/dbraw/zinc/15/11/50/380151150.db2.gz UGYABCYOMDSFTP-LLVKDONJSA-N 0 0 291.345 3.277 20 10 CGCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)c1nncn1C ZINC000286436320 380213804 /nfs/dbraw/zinc/21/38/04/380213804.db2.gz HPNNIXVSKLUYNU-MRVPVSSYSA-N 0 0 282.438 3.422 20 10 CGCDRN COc1ccc(N(C)CC(=O)c2cccn2C)cc1Cl ZINC000121907057 392417888 /nfs/dbraw/zinc/41/78/88/392417888.db2.gz CPXNJKFNAQPCTC-UHFFFAOYSA-N 0 0 292.766 3.006 20 10 CGCDRN O=C(NCc1ccccc1O)C1CCCCCCC1 ZINC000135358895 392474279 /nfs/dbraw/zinc/47/42/79/392474279.db2.gz MWMUNTFIQQJZLQ-UHFFFAOYSA-N 0 0 261.365 3.369 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c(O)c1O ZINC000179416950 392699639 /nfs/dbraw/zinc/69/96/39/392699639.db2.gz IXVDYMAXWAAJED-MFKMUULPSA-N 0 0 277.364 3.057 20 10 CGCDRN CCc1cnc(CN(C)Cc2ccccc2O)s1 ZINC000179582715 392703613 /nfs/dbraw/zinc/70/36/13/392703613.db2.gz CYSDVCKWSWVYGL-UHFFFAOYSA-N 0 0 262.378 3.043 20 10 CGCDRN CSC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000193365226 392875474 /nfs/dbraw/zinc/87/54/74/392875474.db2.gz IRFIJSFRUIJMNN-UHFFFAOYSA-N 0 0 257.786 3.031 20 10 CGCDRN Cc1nnc(COc2ccc3c(c2)c2c(n3C)CCCC2)o1 ZINC000647164241 393363853 /nfs/dbraw/zinc/36/38/53/393363853.db2.gz NCFUOBABDVKMCP-UHFFFAOYSA-N 0 0 297.358 3.328 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CCCC[C@@H](C)C2)cc1OC ZINC000302488585 286248508 /nfs/dbraw/zinc/24/85/08/286248508.db2.gz ZHQFDFJMBGJZEM-LLVKDONJSA-N 0 0 294.351 3.238 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287895104 286911671 /nfs/dbraw/zinc/91/16/71/286911671.db2.gz ZGGNRVZXCSSIPL-JOYOIKCWSA-N 0 0 257.761 3.121 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1cccc(Cl)c1[O-] ZINC000287535821 286911841 /nfs/dbraw/zinc/91/18/41/286911841.db2.gz DVODAKBTQVRQTL-OLZOCXBDSA-N 0 0 271.788 3.103 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)OCO3)c1 ZINC000019966302 170947621 /nfs/dbraw/zinc/94/76/21/170947621.db2.gz MQVUGNPVXRXHCF-JTQLQIEISA-N 0 0 287.315 3.303 20 10 CGCDRN CN(C)c1ccc(CNc2ncccc2Cl)cc1 ZINC000078256780 177328969 /nfs/dbraw/zinc/32/89/69/177328969.db2.gz NJEOAHAODJCBQN-UHFFFAOYSA-N 0 0 261.756 3.413 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC1(C)CC1 ZINC000348638319 226503718 /nfs/dbraw/zinc/50/37/18/226503718.db2.gz YUNXUMJSTQMEMR-UHFFFAOYSA-N 0 0 270.376 3.293 20 10 CGCDRN COc1ccc(O)c(CNc2ncnc3c(C)cccc23)c1 ZINC000301726138 227654716 /nfs/dbraw/zinc/65/47/16/227654716.db2.gz PZHFDVQUPKFYQO-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1=C(C)OCCC1 ZINC000156835634 261133041 /nfs/dbraw/zinc/13/30/41/261133041.db2.gz KZEICLRJDPMWLJ-UHFFFAOYSA-N 0 0 289.375 3.215 20 10 CGCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000161417976 261246634 /nfs/dbraw/zinc/24/66/34/261246634.db2.gz ZOEHMRCCQZPLBW-RDTXWAMCSA-N 0 0 294.398 3.216 20 10 CGCDRN CC[C@]1(C)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181137453 261886903 /nfs/dbraw/zinc/88/69/03/261886903.db2.gz VHEFBZOFFRUDQQ-DBWMJRBXSA-N 0 0 289.375 3.150 20 10 CGCDRN C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000185659575 262064612 /nfs/dbraw/zinc/06/46/12/262064612.db2.gz MURZKTPZBLCFFW-GFCCVEGCSA-N 0 0 289.354 3.079 20 10 CGCDRN CCC[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C ZINC000186407461 262091606 /nfs/dbraw/zinc/09/16/06/262091606.db2.gz VRKIANNVWIAHLL-OCCSQVGLSA-N 0 0 293.407 3.217 20 10 CGCDRN CC(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)=C1CCCC1 ZINC000186430974 262092563 /nfs/dbraw/zinc/09/25/63/262092563.db2.gz MZOILDMXHOKHLJ-NSHDSACASA-N 0 0 289.375 3.036 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccccc1O ZINC000186421286 262092591 /nfs/dbraw/zinc/09/25/91/262092591.db2.gz WJRJAHGNOQZTEQ-KBPBESRZSA-N 0 0 275.348 3.150 20 10 CGCDRN COCc1ccccc1NCc1cccc(C)c1O ZINC000124634793 262557956 /nfs/dbraw/zinc/55/79/56/262557956.db2.gz CEILOMZIBKUCPE-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN CC[C@H](CSC)[N@H+](C)Cc1cc(F)ccc1O ZINC000290445944 263116808 /nfs/dbraw/zinc/11/68/08/263116808.db2.gz MBTSQMZQZQSPNY-GFCCVEGCSA-N 0 0 257.374 3.105 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCOC[C@@H]1c1ccco1 ZINC000369773541 267265456 /nfs/dbraw/zinc/26/54/56/267265456.db2.gz QAIGEAHPPIXJAW-CYBMUJFWSA-N 0 0 293.750 3.212 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377195039 268054748 /nfs/dbraw/zinc/05/47/48/268054748.db2.gz CLAZEEINUWFCOZ-WDEREUQCSA-N 0 0 299.773 3.043 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273496248 287909654 /nfs/dbraw/zinc/90/96/54/287909654.db2.gz PGQAMLPGZWLGFY-NXEZZACHSA-N 0 0 284.381 3.093 20 10 CGCDRN CO[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000188104297 293445289 /nfs/dbraw/zinc/44/52/89/293445289.db2.gz DLPQNLNUNNWQQZ-JGVFFNPUSA-N 0 0 278.179 3.385 20 10 CGCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180632348 327806604 /nfs/dbraw/zinc/80/66/04/327806604.db2.gz ZAEWYGFWFOZWLE-LELWJGSISA-N 0 0 289.375 3.148 20 10 CGCDRN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271805855 328197384 /nfs/dbraw/zinc/19/73/84/328197384.db2.gz JVRIFIPDWZUSPL-GXTWGEPZSA-N 0 0 283.799 3.339 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCC(C)(C)O)cc1 ZINC000277337661 328221077 /nfs/dbraw/zinc/22/10/77/328221077.db2.gz VVEJAQIFWGOUIR-UHFFFAOYSA-N 0 0 251.370 3.071 20 10 CGCDRN Cc1cccc(NC(=O)COc2ccc(N(C)C)cc2)c1C ZINC000277700472 328221865 /nfs/dbraw/zinc/22/18/65/328221865.db2.gz FHMOQCXUKZOPBE-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000287493260 328251265 /nfs/dbraw/zinc/25/12/65/328251265.db2.gz XZLRWTXHILAMCZ-GWCFXTLKSA-N 0 0 269.772 3.265 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000287493264 328251279 /nfs/dbraw/zinc/25/12/79/328251279.db2.gz XZLRWTXHILAMCZ-GXFFZTMASA-N 0 0 269.772 3.265 20 10 CGCDRN CCc1cnc(CNCc2ccc(OC)c(C)c2)s1 ZINC000230707149 326939370 /nfs/dbraw/zinc/93/93/70/326939370.db2.gz FFYLQTZEKLFLQZ-UHFFFAOYSA-N 0 0 276.405 3.312 20 10 CGCDRN O=C(Nc1cccc(-c2cnco2)c1)c1cccc(O)c1O ZINC000186979639 329352512 /nfs/dbraw/zinc/35/25/12/329352512.db2.gz CYVJMJBOCSBOEJ-UHFFFAOYSA-N 0 0 296.282 3.005 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC1(C)C ZINC000471924580 331524343 /nfs/dbraw/zinc/52/43/43/331524343.db2.gz VTWCJCXHVQSVRC-CYBMUJFWSA-N 0 0 299.418 3.332 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2cccnc2)c2cccc(F)c2O1 ZINC000492736273 332411601 /nfs/dbraw/zinc/41/16/01/332411601.db2.gz MDOMIHAVEQDKGW-KRZKBDHCSA-N 0 0 298.317 3.048 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(F)cc1 ZINC000186194629 333156373 /nfs/dbraw/zinc/15/63/73/333156373.db2.gz PGUFONIQSNBRRG-BQYQJAHWSA-N 0 0 276.336 3.267 20 10 CGCDRN O=C(NCc1ccccc1O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528855288 333461842 /nfs/dbraw/zinc/46/18/42/333461842.db2.gz QNSQDPROTGKZFP-HZPDHXFCSA-N 0 0 299.345 3.341 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCC23CC3)c1 ZINC000528858305 333462106 /nfs/dbraw/zinc/46/21/06/333462106.db2.gz CAJOMDOPSFJYOR-BXUZGUMPSA-N 0 0 289.375 3.158 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2cc(F)ccc2F)c1 ZINC000254955314 334496128 /nfs/dbraw/zinc/49/61/28/334496128.db2.gz UVPPKQQDTWKQAU-UTCJRWHESA-N 0 0 288.297 3.344 20 10 CGCDRN c1csc(COc2ccc(N3CCCC3)cc2)n1 ZINC000161400821 518203893 /nfs/dbraw/zinc/20/38/93/518203893.db2.gz RAIQREYNAMBMPH-UHFFFAOYSA-N 0 0 260.362 3.322 20 10 CGCDRN C/C=C(\C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000081703404 518482890 /nfs/dbraw/zinc/48/28/90/518482890.db2.gz GJBGAZNDLWDZKA-WLRTZDKTSA-N 0 0 260.381 3.115 20 10 CGCDRN C/C=C(\CC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000276652747 518492458 /nfs/dbraw/zinc/49/24/58/518492458.db2.gz XTHYDMDCCFPVCF-MKMNVTDBSA-N 0 0 260.381 3.067 20 10 CGCDRN CC(C)(O)c1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000274952704 519373101 /nfs/dbraw/zinc/37/31/01/519373101.db2.gz SKTAMNGFXRCZSM-UHFFFAOYSA-N 0 0 289.350 3.049 20 10 CGCDRN CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000037018015 519818735 /nfs/dbraw/zinc/81/87/35/519818735.db2.gz MZZMOZBYAINAQN-SFHVURJKSA-N 0 0 282.387 3.325 20 10 CGCDRN CC(C)c1nnc(N(C)Cc2ccccc2O)s1 ZINC000276191414 519889300 /nfs/dbraw/zinc/88/93/00/519889300.db2.gz HKPMXXSCEUCSCJ-UHFFFAOYSA-N 0 0 263.366 3.004 20 10 CGCDRN CC(C)n1cccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000120496077 520012919 /nfs/dbraw/zinc/01/29/19/520012919.db2.gz YACCVDXHYMZAJG-UHFFFAOYSA-N 0 0 299.418 3.407 20 10 CGCDRN CCCCC[C@@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297186262 520278277 /nfs/dbraw/zinc/27/82/77/520278277.db2.gz LLLWTLJUBVDDFS-CYBMUJFWSA-N 0 0 262.397 3.492 20 10 CGCDRN CCC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000037030059 520737389 /nfs/dbraw/zinc/73/73/89/520737389.db2.gz QZLJHGLKCWVGSP-QGZVFWFLSA-N 0 0 282.387 3.469 20 10 CGCDRN CCCc1nc(C)c(C[NH2+]Cc2cccc(F)c2[O-])o1 ZINC000292835846 521496277 /nfs/dbraw/zinc/49/62/77/521496277.db2.gz RSRDEOXYDFGJAO-UHFFFAOYSA-N 0 0 278.327 3.070 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1CC=CC1 ZINC000077613834 521687429 /nfs/dbraw/zinc/68/74/29/521687429.db2.gz MIXWNYRPHUGPHH-UHFFFAOYSA-N 0 0 259.349 3.097 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)C2CCCC2)C2CC2)cc1 ZINC000298418424 522159140 /nfs/dbraw/zinc/15/91/40/522159140.db2.gz YIHZZEGBBMRKNG-UHFFFAOYSA-N 0 0 286.419 3.434 20 10 CGCDRN CN(C)c1ccc(CNc2cc3n(n2)CCCC3)cc1F ZINC000285480607 522215925 /nfs/dbraw/zinc/21/59/25/522215925.db2.gz LKSNAUUQNIMTSN-UHFFFAOYSA-N 0 0 288.370 3.037 20 10 CGCDRN COCCN(CCCCCF)c1ccc(OC)c(OC)c1 ZINC000284291193 523694226 /nfs/dbraw/zinc/69/42/26/523694226.db2.gz YPJIPPFPPIMRHH-UHFFFAOYSA-N 0 0 299.386 3.296 20 10 CGCDRN Cc1ccc(C)c(OCCC(=O)NCc2ccccc2O)c1 ZINC000269126973 524171629 /nfs/dbraw/zinc/17/16/29/524171629.db2.gz HFHUSJDDTSQBTI-UHFFFAOYSA-N 0 0 299.370 3.094 20 10 CGCDRN Cc1cc(C)cc(CCC(=O)NCc2ccccc2O)c1 ZINC000269564688 524375565 /nfs/dbraw/zinc/37/55/65/524375565.db2.gz GSNKJDQCZNBHRO-UHFFFAOYSA-N 0 0 283.371 3.258 20 10 CGCDRN C[C@H]1CC[C@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000131448683 524398059 /nfs/dbraw/zinc/39/80/59/524398059.db2.gz HVZUUICHILXSGT-STQMWFEESA-N 0 0 261.365 3.177 20 10 CGCDRN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000276979904 524605251 /nfs/dbraw/zinc/60/52/51/524605251.db2.gz VTJQFWRCSJSQNF-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN COc1ccccc1[C@@H](C)CC(=O)NCc1ccccc1O ZINC000264050355 524713456 /nfs/dbraw/zinc/71/34/56/524713456.db2.gz SNGXYHNZGWAONC-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276964151 525419299 /nfs/dbraw/zinc/41/92/99/525419299.db2.gz SLCWTKABVZSBJN-VWYCJHECSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276854528 525627023 /nfs/dbraw/zinc/62/70/23/525627023.db2.gz BKUHVYAMNZALLA-YGRLFVJLSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000042267900 525898802 /nfs/dbraw/zinc/89/88/02/525898802.db2.gz PCEBXDJVWLFDMY-LBPRGKRZSA-N 0 0 276.380 3.335 20 10 CGCDRN COc1cccc(CNC(=O)C[C@@H](C)c2ccccc2)c1O ZINC000105652879 525975434 /nfs/dbraw/zinc/97/54/34/525975434.db2.gz WTPRQDBZIJPJRW-CYBMUJFWSA-N 0 0 299.370 3.211 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N1CCc2ccccc21 ZINC000299049645 526007107 /nfs/dbraw/zinc/00/71/07/526007107.db2.gz PUIKGPFXLUSYRG-JTQLQIEISA-N 0 0 290.413 3.213 20 10 CGCDRN Cc1nc(C2(NCc3ccccc3O)CCCCC2)no1 ZINC000263683463 526769508 /nfs/dbraw/zinc/76/95/08/526769508.db2.gz NFBNSKQTTVBTGY-UHFFFAOYSA-N 0 0 287.363 3.033 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2CCCC2)c1 ZINC000728985378 571852316 /nfs/dbraw/zinc/85/23/16/571852316.db2.gz WXRIPGIMTAUWRA-LLVKDONJSA-N 0 0 277.364 3.158 20 10 CGCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000729422452 571916057 /nfs/dbraw/zinc/91/60/57/571916057.db2.gz BSIDBOWYGXRVSW-MYSGNRETSA-N 0 0 278.355 3.320 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1cc(F)c(F)cc1F ZINC000729574975 571924579 /nfs/dbraw/zinc/92/45/79/571924579.db2.gz BZMPKPHNGZEXEW-UHFFFAOYSA-N 0 0 296.248 3.131 20 10 CGCDRN CC[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccccc1 ZINC000738652746 572385155 /nfs/dbraw/zinc/38/51/55/572385155.db2.gz YKSHVCVOPALKBD-GFCCVEGCSA-N 0 0 290.340 3.272 20 10 CGCDRN CC1CCC(N(C)C(=O)C2=CC(=O)CS2)CC1 ZINC000732257828 572457870 /nfs/dbraw/zinc/45/78/70/572457870.db2.gz FDDZACHBWYVUHD-UHFFFAOYSA-N 0 0 253.367 3.104 20 10 CGCDRN COc1ccc(CN(C)C(=O)C2=CC(=O)CS2)cc1C ZINC000732286323 572458815 /nfs/dbraw/zinc/45/88/15/572458815.db2.gz QVVCOGVXGFBHHJ-UHFFFAOYSA-N 0 0 291.372 3.043 20 10 CGCDRN CCOCCCN(CC)c1ccc(OCC)cc1 ZINC000741778857 572525515 /nfs/dbraw/zinc/52/55/15/572525515.db2.gz BBMUIURKSZOOMB-UHFFFAOYSA-N 0 0 251.370 3.338 20 10 CGCDRN Cc1nc(SCC(=O)c2ccc(O)c(O)c2)sc1C ZINC000741856222 572535719 /nfs/dbraw/zinc/53/57/19/572535719.db2.gz IFDPJYRADGXTLG-UHFFFAOYSA-N 0 0 295.385 3.146 20 10 CGCDRN Cc1cccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000726768257 572597636 /nfs/dbraw/zinc/59/76/36/572597636.db2.gz UONYECMAOGBMJJ-UHFFFAOYSA-N 0 0 296.414 3.262 20 10 CGCDRN CCC/C(C)=C/C(=O)NCCCSc1nccs1 ZINC000733972837 572621121 /nfs/dbraw/zinc/62/11/21/572621121.db2.gz XGNOIYZUTMWJBZ-ZHACJKMWSA-N 0 0 284.450 3.488 20 10 CGCDRN CCc1cccc(NC(=S)NCc2cccn2C)c1 ZINC000743061604 572637384 /nfs/dbraw/zinc/63/73/84/572637384.db2.gz MELSEMMQLRUZGU-UHFFFAOYSA-N 0 0 273.405 3.074 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)C1CC1 ZINC000734405149 572652165 /nfs/dbraw/zinc/65/21/65/572652165.db2.gz FHONRYVUVCJSNJ-ZDUSSCGKSA-N 0 0 274.408 3.113 20 10 CGCDRN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)C1=CC(=O)CS1 ZINC000743712526 572680528 /nfs/dbraw/zinc/68/05/28/572680528.db2.gz ROVKWOZMFIJRAQ-OUAUKWLOSA-N 0 0 265.378 3.152 20 10 CGCDRN CCCN(Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000743870066 572695016 /nfs/dbraw/zinc/69/50/16/572695016.db2.gz GRIIYLLHPXORLV-UHFFFAOYSA-N 0 0 287.363 3.065 20 10 CGCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000735329217 572715286 /nfs/dbraw/zinc/71/52/86/572715286.db2.gz BGNWWGDKKNVKMR-UHFFFAOYSA-N 0 0 289.400 3.452 20 10 CGCDRN CCCCc1noc(CN(CC)c2ccc(OC)cc2)n1 ZINC000746109526 572853717 /nfs/dbraw/zinc/85/37/17/572853717.db2.gz SAVXIJMXKJGKKY-UHFFFAOYSA-N 0 0 289.379 3.447 20 10 CGCDRN CCOc1ccc(N(CC)CCOCC(F)(F)F)cc1 ZINC000746157867 572857664 /nfs/dbraw/zinc/85/76/64/572857664.db2.gz WSHVOJJRJUFWNC-UHFFFAOYSA-N 0 0 291.313 3.491 20 10 CGCDRN CCC/C(C)=C/C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746804277 572896763 /nfs/dbraw/zinc/89/67/63/572896763.db2.gz YBZNBHBASMYHPY-FMIVXFBMSA-N 0 0 278.371 3.254 20 10 CGCDRN CC1=C(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000746826789 572897597 /nfs/dbraw/zinc/89/75/97/572897597.db2.gz PYOKBEDHAMHFEN-UHFFFAOYSA-N 0 0 276.355 3.008 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@H]1CC12CCCC2 ZINC000747394079 572927229 /nfs/dbraw/zinc/92/72/29/572927229.db2.gz MQQVVNCYONURDN-LLVKDONJSA-N 0 0 296.461 3.322 20 10 CGCDRN CCN(Cc1cscn1)c1ccc(OC)c(OC)c1 ZINC000747682205 572941180 /nfs/dbraw/zinc/94/11/80/572941180.db2.gz UDKRARSLVCSCSL-UHFFFAOYSA-N 0 0 278.377 3.187 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ccccc2O)c1C ZINC000748158346 572964183 /nfs/dbraw/zinc/96/41/83/572964183.db2.gz QEBPRLYKBGPXTH-UHFFFAOYSA-N 0 0 286.400 3.496 20 10 CGCDRN O=C(CCCOCc1ccccc1)NCc1ccccc1O ZINC000748345374 572974675 /nfs/dbraw/zinc/97/46/75/572974675.db2.gz AWILCJSFPLNIIR-UHFFFAOYSA-N 0 0 299.370 3.005 20 10 CGCDRN Cc1nc2ccc(NC(=O)NCc3ccccc3O)cc2o1 ZINC000748441588 572977249 /nfs/dbraw/zinc/97/72/49/572977249.db2.gz CLQWPLPSMOTWJP-UHFFFAOYSA-N 0 0 297.314 3.164 20 10 CGCDRN CCS[C@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000750251536 573105158 /nfs/dbraw/zinc/10/51/58/573105158.db2.gz SDWSDIBPGRFJDM-MNOVXSKESA-N 0 0 285.434 3.248 20 10 CGCDRN CCOc1ccc(N(CC)CCCCCCO)cc1 ZINC000750795466 573179487 /nfs/dbraw/zinc/17/94/87/573179487.db2.gz OJOIECMRORAFPH-UHFFFAOYSA-N 0 0 265.397 3.464 20 10 CGCDRN C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C(C)(C)C(=O)[O-] ZINC000833694833 604627695 /nfs/dbraw/zinc/62/76/95/604627695.db2.gz RSZMXNSJYLNTFY-UHFFFAOYSA-N 0 0 299.370 3.354 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1C ZINC000833746814 605520114 /nfs/dbraw/zinc/52/01/14/605520114.db2.gz IYPOGNKRQAGSOY-RHSMWYFYSA-N 0 0 291.391 3.132 20 10 CGCDRN Clc1cnc(Sc2cccc(-c3nn[nH]n3)c2)s1 ZINC000826354020 609213767 /nfs/dbraw/zinc/21/37/67/609213767.db2.gz MXGPUNCURATQOR-UHFFFAOYSA-N 0 0 295.780 3.128 20 10 CGCDRN CC/C=C(\C)C(=O)NCc1cccc(Cl)c1O ZINC000890757708 617814397 /nfs/dbraw/zinc/81/43/97/617814397.db2.gz IRKUZSFXNAPQBI-WEVVVXLNSA-N 0 0 253.729 3.018 20 10 CGCDRN CCC[C@@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890758047 617814366 /nfs/dbraw/zinc/81/43/66/617814366.db2.gz QLZNJKIVZCGHSJ-SNVBAGLBSA-N 0 0 269.772 3.488 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCCn1cccn1 ZINC000049517149 617613455 /nfs/dbraw/zinc/61/34/55/617613455.db2.gz FWCFUJODFJKKFI-UHFFFAOYSA-N 0 0 284.388 3.076 20 10 CGCDRN CCC/C=C\C(=O)NCc1cc(Br)ccc1O ZINC000804734834 617826896 /nfs/dbraw/zinc/82/68/96/617826896.db2.gz DZFNNMKEUFMZRH-PLNGDYQASA-N 0 0 298.180 3.127 20 10 CGCDRN COc1cc(NCc2cccc(F)c2O)ccc1F ZINC000083480734 618008600 /nfs/dbraw/zinc/00/86/00/618008600.db2.gz IROZHUMVGFAVPF-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CC[C@H]2C)c(C)n1-c1ccccn1 ZINC000804856060 618038332 /nfs/dbraw/zinc/03/83/32/618038332.db2.gz VWHZTBCNZMQBCX-ABAIWWIYSA-N 0 0 283.375 3.017 20 10 CGCDRN CN(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255361050 618219857 /nfs/dbraw/zinc/21/98/57/618219857.db2.gz RAQCWFIMYYQJEP-UHFFFAOYSA-N 0 0 296.330 3.129 20 10 CGCDRN O=C1NC(=S)S/C1=C/c1cnc(C2CCCC2)s1 ZINC000255364027 618221331 /nfs/dbraw/zinc/22/13/31/618221331.db2.gz OECBNKFICZXCLX-WEVVVXLNSA-N 0 0 296.442 3.290 20 10 CGCDRN COc1ccc(CNc2ccccc2C)c(O)c1OC ZINC000892252350 618611653 /nfs/dbraw/zinc/61/16/53/618611653.db2.gz PDAVSTLKTIDRBU-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CCOC(=O)c1cnc(Sc2nc(C)cs2)s1 ZINC000310439798 618794571 /nfs/dbraw/zinc/79/45/71/618794571.db2.gz PKJDIJYTIXTRFU-UHFFFAOYSA-N 0 0 286.403 3.236 20 10 CGCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000052332118 618823875 /nfs/dbraw/zinc/82/38/75/618823875.db2.gz NZNZBTOODGQBNI-MRXNPFEDSA-N 0 0 274.408 3.286 20 10 CGCDRN CSCCCOc1ccc(N2CCCC2)cc1 ZINC000178196081 618867366 /nfs/dbraw/zinc/86/73/66/618867366.db2.gz KGLAILNINKYVBS-UHFFFAOYSA-N 0 0 251.395 3.419 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cn1 ZINC000161340233 618871801 /nfs/dbraw/zinc/87/18/01/618871801.db2.gz SVMRYWGXBBVCEM-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN Cc1ccccc1CNC(=O)[C@@H](C)Sc1nccs1 ZINC000048875868 618872742 /nfs/dbraw/zinc/87/27/42/618872742.db2.gz AGJMSMBOGPDHMD-LLVKDONJSA-N 0 0 292.429 3.249 20 10 CGCDRN CCOc1cncc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000178350714 619037114 /nfs/dbraw/zinc/03/71/14/619037114.db2.gz XYYHXUJTUXTTHP-UHFFFAOYSA-N 0 0 298.390 3.088 20 10 CGCDRN CCOc1ncccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000183409175 619044380 /nfs/dbraw/zinc/04/43/80/619044380.db2.gz VVLVSNOOHIVPLE-LBPRGKRZSA-N 0 0 272.348 3.037 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2coc(C)c2)cc1 ZINC000188458097 619085598 /nfs/dbraw/zinc/08/55/98/619085598.db2.gz NTWXLVAGOASYMO-UHFFFAOYSA-N 0 0 286.375 3.364 20 10 CGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000189432438 619092290 /nfs/dbraw/zinc/09/22/90/619092290.db2.gz JTGBJTRJQVRSOA-UHFFFAOYSA-N 0 0 291.372 3.064 20 10 CGCDRN COc1ccc(N(C)CC2CCC(OC)CC2)cc1OC ZINC000893573372 619226591 /nfs/dbraw/zinc/22/65/91/619226591.db2.gz OIADGDMSSLQVJR-UHFFFAOYSA-N 0 0 293.407 3.345 20 10 CGCDRN Cc1cccc(CNc2ccc(Br)nc2)c1O ZINC000226665082 619276922 /nfs/dbraw/zinc/27/69/22/619276922.db2.gz HUANVGMFZMTYKH-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000237579540 619308768 /nfs/dbraw/zinc/30/87/68/619308768.db2.gz XXXBNWLRNJKVJQ-NSHDSACASA-N 0 0 278.352 3.359 20 10 CGCDRN Cc1ncsc1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893999238 619348528 /nfs/dbraw/zinc/34/85/28/619348528.db2.gz AWBMHABWMUXZQO-UHFFFAOYSA-N 0 0 284.331 3.067 20 10 CGCDRN COc1ccc(F)c(NCc2cc(C)cc(OC)c2O)c1 ZINC000894115133 619378616 /nfs/dbraw/zinc/37/86/16/619378616.db2.gz JSTSXHWREKNSCH-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN CC(C)CCc1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000788011515 619420500 /nfs/dbraw/zinc/42/05/00/619420500.db2.gz ABTQNHQHEKAYDS-UHFFFAOYSA-N 0 0 279.365 3.018 20 10 CGCDRN Cc1nc(CN(C)c2ccc3c(c2)OCO3)sc1C ZINC000178879091 619426246 /nfs/dbraw/zinc/42/62/46/619426246.db2.gz VFUUIHYEPJQFLA-UHFFFAOYSA-N 0 0 276.361 3.125 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000895075065 619713552 /nfs/dbraw/zinc/71/35/52/619713552.db2.gz HJYCOSHJVWZYAB-GFCCVEGCSA-N 0 0 290.313 3.055 20 10 CGCDRN COCCCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000841894867 619928885 /nfs/dbraw/zinc/92/88/85/619928885.db2.gz YTUVGICBSRQXOL-UHFFFAOYSA-N 0 0 275.751 3.043 20 10 CGCDRN O=C(CCCCc1ccccc1)NCc1ccccc1O ZINC000896015220 619931518 /nfs/dbraw/zinc/93/15/18/619931518.db2.gz JEMFXNCTZJOAGH-UHFFFAOYSA-N 0 0 283.371 3.421 20 10 CGCDRN Cc1cccc(C)c1C[NH2+]Cc1c([O-])cccc1F ZINC000896636244 620040842 /nfs/dbraw/zinc/04/08/42/620040842.db2.gz BHIBRXZRYRGBSS-UHFFFAOYSA-N 0 0 259.324 3.438 20 10 CGCDRN C[C@@H](CCc1cccnc1)[NH2+]Cc1c([O-])cccc1F ZINC000896638363 620041491 /nfs/dbraw/zinc/04/14/91/620041491.db2.gz AZGKPDFRLWUEIT-LBPRGKRZSA-N 0 0 274.339 3.037 20 10 CGCDRN CCCn1nc(C)c(C[NH2+]Cc2c([O-])cccc2F)c1C ZINC000896641094 620042550 /nfs/dbraw/zinc/04/25/50/620042550.db2.gz PFELTEYPFSSUSI-UHFFFAOYSA-N 0 0 291.370 3.044 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)[C@H]1C ZINC000796454461 620098457 /nfs/dbraw/zinc/09/84/57/620098457.db2.gz KLVLHPPRKNKORK-VWYCJHECSA-N 0 0 267.394 3.256 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000841754092 620391996 /nfs/dbraw/zinc/39/19/96/620391996.db2.gz YTUHLTYCCUWBEA-VHSXEESVSA-N 0 0 271.813 3.449 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756396 620402509 /nfs/dbraw/zinc/40/25/09/620402509.db2.gz XPHAFQKCGKKNJJ-GARJFASQSA-N 0 0 269.772 3.121 20 10 CGCDRN C[C@H]1CC2(CC([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2)CO1 ZINC000897776584 620427957 /nfs/dbraw/zinc/42/79/57/620427957.db2.gz SYPTXBPAXRZYOC-IEBVAXJPSA-N 0 0 299.773 3.232 20 10 CGCDRN CC1(C)C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000897788645 620430897 /nfs/dbraw/zinc/43/08/97/620430897.db2.gz HWAMCKDTWRPLRO-SNVBAGLBSA-N 0 0 287.375 3.434 20 10 CGCDRN Cc1ccc(O)c(CNc2cnn(C3CCC3)c2)c1 ZINC000897875488 620441630 /nfs/dbraw/zinc/44/16/30/620441630.db2.gz FVDBKJCVANSNOR-UHFFFAOYSA-N 0 0 257.337 3.234 20 10 CGCDRN Oc1c(F)cc(F)cc1CNc1cnn(C2CCC2)c1 ZINC000897880003 620442429 /nfs/dbraw/zinc/44/24/29/620442429.db2.gz UVIXKLOMQBQKGB-UHFFFAOYSA-N 0 0 279.290 3.204 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000898112415 620479372 /nfs/dbraw/zinc/47/93/72/620479372.db2.gz RECLYYXMAFWECU-ZDUSSCGKSA-N 0 0 299.773 3.376 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000898260522 620500485 /nfs/dbraw/zinc/50/04/85/620500485.db2.gz GNJNXLDYJSAQRT-JIMOISOXSA-N 0 0 294.782 3.033 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1c([O-])cccc1F ZINC000927068639 620569924 /nfs/dbraw/zinc/56/99/24/620569924.db2.gz TZBPFPUYWYMAQR-BNLOLNQZSA-N 0 0 293.382 3.387 20 10 CGCDRN CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000927139330 620599648 /nfs/dbraw/zinc/59/96/48/620599648.db2.gz KASXMTCUNAYEEI-SECBINFHSA-N 0 0 278.327 3.241 20 10 CGCDRN CCN(CC)c1ccc(CNCc2cn(CC)cn2)cc1 ZINC000902075789 621127334 /nfs/dbraw/zinc/12/73/34/621127334.db2.gz MFWGQPDITTYIIA-UHFFFAOYSA-N 0 0 286.423 3.039 20 10 CGCDRN c1cc(N2CCCC2)ccc1OC[C@@H]1C[C@@]12CCOC2 ZINC000902283555 621225272 /nfs/dbraw/zinc/22/52/72/621225272.db2.gz MYCAKCWRTKTHOB-WMLDXEAASA-N 0 0 273.376 3.092 20 10 CGCDRN c1cc(N2CCCC2)ccc1OC[C@H]1C[C@]12CCOC2 ZINC000902283553 621225767 /nfs/dbraw/zinc/22/57/67/621225767.db2.gz MYCAKCWRTKTHOB-PBHICJAKSA-N 0 0 273.376 3.092 20 10 CGCDRN Cn1cncc1CCCOc1ccc(N2CCCC2)cc1 ZINC000902282984 621225884 /nfs/dbraw/zinc/22/58/84/621225884.db2.gz HWRBXCAWXIJGAQ-UHFFFAOYSA-N 0 0 285.391 3.032 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1cc(F)cc(F)c1[O-] ZINC000903251277 621641114 /nfs/dbraw/zinc/64/11/14/621641114.db2.gz HIBCGWICBHLNTA-ONENECBXSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1c([O-])cccc1F ZINC000903265127 621650130 /nfs/dbraw/zinc/65/01/30/621650130.db2.gz QFEIMRDPPRWSKQ-DYEKYZERSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186067809 625511763 /nfs/dbraw/zinc/51/17/63/625511763.db2.gz ULOQOAOSXIEKEJ-GGVZMXCHSA-N 0 0 290.190 3.263 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903316768 621687751 /nfs/dbraw/zinc/68/77/51/621687751.db2.gz HKUGTNOTMIRPFQ-DTWKUNHWSA-N 0 0 289.206 3.054 20 10 CGCDRN C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc(F)cc1[O-] ZINC000903362693 621715514 /nfs/dbraw/zinc/71/55/14/621715514.db2.gz ARWNOMARUYYQRC-BFQNTYOBSA-N 0 0 291.366 3.141 20 10 CGCDRN CC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(Cl)c1[O-] ZINC000903408307 621732452 /nfs/dbraw/zinc/73/24/52/621732452.db2.gz RVLSIBDODBDNNO-UONOGXRCSA-N 0 0 283.799 3.247 20 10 CGCDRN Cc1ncccc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000903415934 621734704 /nfs/dbraw/zinc/73/47/04/621734704.db2.gz NUPKSTIIZTUGSQ-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN C[C@H]([NH2+]CCOC1CCSCC1)c1c([O-])cccc1F ZINC000903444889 621757143 /nfs/dbraw/zinc/75/71/43/621757143.db2.gz FGOIVDUUKCOUCZ-NSHDSACASA-N 0 0 299.411 3.094 20 10 CGCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000768347434 625535903 /nfs/dbraw/zinc/53/59/03/625535903.db2.gz UYRADCGSZRUXMA-CMPLNLGQSA-N 0 0 267.394 3.495 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000151442466 622787643 /nfs/dbraw/zinc/78/76/43/622787643.db2.gz ILZWEOOLDFNKED-KBPBESRZSA-N 0 0 289.423 3.143 20 10 CGCDRN C/C=C/C=C\C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000055091607 622810638 /nfs/dbraw/zinc/81/06/38/622810638.db2.gz XYYSVEZOYBANND-KNOZVELGSA-N 0 0 272.392 3.281 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccccc1O ZINC000164476453 622837254 /nfs/dbraw/zinc/83/72/54/622837254.db2.gz ANLDRUGQDISPRE-UHFFFAOYSA-N 0 0 263.724 3.041 20 10 CGCDRN Cc1cc(O)c(CNc2cnn(C(C)C)c2)cc1C ZINC000157386334 622902690 /nfs/dbraw/zinc/90/26/90/622902690.db2.gz LPOSXHCALUHTGZ-UHFFFAOYSA-N 0 0 259.353 3.399 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230163241 623216193 /nfs/dbraw/zinc/21/61/93/623216193.db2.gz WTKWZYFEMYVFJA-SECBINFHSA-N 0 0 290.190 3.215 20 10 CGCDRN O=C(/C=C/c1cncc(F)c1)N1CC2(CC2)c2ccccc21 ZINC000172431097 623249457 /nfs/dbraw/zinc/24/94/57/623249457.db2.gz AOMLIDHQKSTNHD-AATRIKPKSA-N 0 0 294.329 3.312 20 10 CGCDRN CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N(C)C ZINC000062745405 623265221 /nfs/dbraw/zinc/26/52/21/623265221.db2.gz UNCIAYSXDASZMA-GXTWGEPZSA-N 0 0 282.403 3.158 20 10 CGCDRN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCCC1 ZINC000062745397 623265239 /nfs/dbraw/zinc/26/52/39/623265239.db2.gz OHXCMVDAZFSPGL-BBRMVZONSA-N 0 0 294.414 3.302 20 10 CGCDRN COc1ccc(O)c(CNC(=O)CCCC2CCCC2)c1 ZINC000173579731 623332435 /nfs/dbraw/zinc/33/24/35/623332435.db2.gz OTKHTGJHCFXVGA-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN CCOCCN1CCCc2cc(OC(F)F)ccc21 ZINC000152186862 623629234 /nfs/dbraw/zinc/62/92/34/623629234.db2.gz IBNAHEHJKMEDIW-UHFFFAOYSA-N 0 0 271.307 3.077 20 10 CGCDRN CCOCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000152231088 623634255 /nfs/dbraw/zinc/63/42/55/623634255.db2.gz CCWMSUWMSKXPTL-UHFFFAOYSA-N 0 0 255.333 3.086 20 10 CGCDRN CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000152490470 623673273 /nfs/dbraw/zinc/67/32/73/623673273.db2.gz GRGXXLNMABSOQQ-SFHVURJKSA-N 0 0 296.414 3.367 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ccc(F)cn2)cc1F ZINC000763167894 623865786 /nfs/dbraw/zinc/86/57/86/623865786.db2.gz WFJXUIDFIFWRNU-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(N(C)C)cc1)N2 ZINC000153730912 624030039 /nfs/dbraw/zinc/03/00/39/624030039.db2.gz VJKZQQXIOXFGGP-KRWDZBQOSA-N 0 0 295.386 3.257 20 10 CGCDRN FC(F)(F)[C@H]1CC[C@H](CSc2nccs2)O1 ZINC000916758899 624212319 /nfs/dbraw/zinc/21/23/19/624212319.db2.gz BAEPUYDFVWDSHY-RNFRBKRXSA-N 0 0 269.313 3.345 20 10 CGCDRN c1csc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000917084135 624234982 /nfs/dbraw/zinc/23/49/82/624234982.db2.gz SEOFKSCYRMBXPX-UHFFFAOYSA-N 0 0 291.445 3.308 20 10 CGCDRN CCCCN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1 ZINC000917110536 624242357 /nfs/dbraw/zinc/24/23/57/624242357.db2.gz YATZPSFFQHBKRL-KHPPLWFESA-N 0 0 283.375 3.267 20 10 CGCDRN Oc1cc2c(cc1C[N@@H+]1CCOc3ccccc3C1)CCC2 ZINC000917486696 624275581 /nfs/dbraw/zinc/27/55/81/624275581.db2.gz SXCFPAGTDABGPA-UHFFFAOYSA-N 0 0 295.382 3.276 20 10 CGCDRN c1csc(SCc2nnc(-c3ccccc3)o2)n1 ZINC000919675706 624416718 /nfs/dbraw/zinc/41/67/18/624416718.db2.gz VHILTQCYVZFIQQ-UHFFFAOYSA-N 0 0 275.358 3.485 20 10 CGCDRN Cc1ccc(C(=O)Nc2cc(F)c(F)cc2F)c(O)c1O ZINC000179481717 624658806 /nfs/dbraw/zinc/65/88/06/624658806.db2.gz OWEHDPNLPOVZKX-UHFFFAOYSA-N 0 0 297.232 3.076 20 10 CGCDRN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1F ZINC000181037405 624797568 /nfs/dbraw/zinc/79/75/68/624797568.db2.gz UIZSMSSRYGLLAK-XVNBXDOJSA-N 0 0 287.290 3.197 20 10 CGCDRN Cc1cccnc1CNC(=S)Nc1ccc(F)cc1F ZINC000243671267 625012631 /nfs/dbraw/zinc/01/26/31/625012631.db2.gz PECKTASZALXVJV-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CCCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756342730 625879450 /nfs/dbraw/zinc/87/94/50/625879450.db2.gz LMTWNUMWVLEGJK-LLVKDONJSA-N 0 0 265.353 3.020 20 10 CGCDRN CCc1nc(C)c(CNCc2ccc3c(c2)CCCO3)o1 ZINC000922144942 625972705 /nfs/dbraw/zinc/97/27/05/625972705.db2.gz ZBBQIINZAYIGIH-UHFFFAOYSA-N 0 0 286.375 3.160 20 10 CGCDRN CCn1ccnc1[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922164336 625977518 /nfs/dbraw/zinc/97/75/18/625977518.db2.gz KHJBAWUUPCATIT-ZDUSSCGKSA-N 0 0 285.391 3.079 20 10 CGCDRN CCn1ccnc1[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922164335 625977584 /nfs/dbraw/zinc/97/75/84/625977584.db2.gz KHJBAWUUPCATIT-CYBMUJFWSA-N 0 0 285.391 3.079 20 10 CGCDRN Cc1ccc(O)c(CN[C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922519632 626010684 /nfs/dbraw/zinc/01/06/84/626010684.db2.gz FIKHWYCAVKDPTA-WMLDXEAASA-N 0 0 287.334 3.262 20 10 CGCDRN Cc1nnc(NC/C=C/c2ccc(N(C)C)cc2)n1C1CC1 ZINC000922663015 626027765 /nfs/dbraw/zinc/02/77/65/626027765.db2.gz BTMGUSYEKFUTJW-SNAWJCMRSA-N 0 0 297.406 3.113 20 10 CGCDRN COc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000124640501 634472231 /nfs/dbraw/zinc/47/22/31/634472231.db2.gz NNIPUHSDAPLHME-UHFFFAOYSA-N 0 0 277.751 3.344 20 10 CGCDRN Cc1ccc(O)c(C[NH2+]CCc2c(F)cc(O)cc2F)c1 ZINC000922976178 626111796 /nfs/dbraw/zinc/11/17/96/626111796.db2.gz FDQHQXKNURCKAN-UHFFFAOYSA-N 0 0 293.313 3.017 20 10 CGCDRN Cc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000124710048 634487089 /nfs/dbraw/zinc/48/70/89/634487089.db2.gz BSGUROUDTQGAHA-UHFFFAOYSA-N 0 0 262.740 3.039 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839191373 626328576 /nfs/dbraw/zinc/32/85/76/626328576.db2.gz OQDKRMOJBFQXLZ-WLTAIBSBSA-N 0 0 269.747 3.463 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000808094843 626358888 /nfs/dbraw/zinc/35/88/88/626358888.db2.gz GKLZONOKGSHGFK-STQMWFEESA-N 0 0 296.407 3.320 20 10 CGCDRN COc1ccc(N(Cc2cncn2C)CC(C)C)cc1 ZINC000751472603 626392264 /nfs/dbraw/zinc/39/22/64/626392264.db2.gz UXEXCNZIMNVDGA-UHFFFAOYSA-N 0 0 273.380 3.091 20 10 CGCDRN CCc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000751531063 626394651 /nfs/dbraw/zinc/39/46/51/626394651.db2.gz YMVMMOXTDMMYAQ-UHFFFAOYSA-N 0 0 299.370 3.241 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873968264 634499715 /nfs/dbraw/zinc/49/97/15/634499715.db2.gz HGCBMGFPMUHSOH-ZWNOBZJWSA-N 0 0 288.351 3.158 20 10 CGCDRN CCCCc1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1 ZINC000752369131 626426474 /nfs/dbraw/zinc/42/64/74/626426474.db2.gz BXKBMXJMYGALFV-DHZHZOJOSA-N 0 0 295.386 3.495 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C1\CC[C@@H](C)C1 ZINC000753615194 626459016 /nfs/dbraw/zinc/45/90/16/626459016.db2.gz BBXXPRRURNAYPW-WDGDVPDHSA-N 0 0 286.419 3.424 20 10 CGCDRN Cc1cc(C(F)(F)F)nc(NCc2ccccc2O)n1 ZINC000754032467 626472695 /nfs/dbraw/zinc/47/26/95/626472695.db2.gz MOGUHSCUVQQGSC-UHFFFAOYSA-N 0 0 283.253 3.122 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccccc1OC ZINC000754082520 626474994 /nfs/dbraw/zinc/47/49/94/626474994.db2.gz SHNDCWRAWVOEBL-QXMHVHEDSA-N 0 0 296.370 3.465 20 10 CGCDRN C[C@H]1CSCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000754156846 626561791 /nfs/dbraw/zinc/56/17/91/626561791.db2.gz WDMXAQHBHWXOAF-SECBINFHSA-N 0 0 289.803 3.370 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](C)Oc3ccccc32)cn1 ZINC000754259683 626565260 /nfs/dbraw/zinc/56/52/60/626565260.db2.gz IZMILDMKDQXGPM-CFYYFVFUSA-N 0 0 294.354 3.217 20 10 CGCDRN CCOc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)cc1 ZINC000754290988 626566323 /nfs/dbraw/zinc/56/63/23/626566323.db2.gz ITORPFDYODCGMO-KPKJPENVSA-N 0 0 296.370 3.465 20 10 CGCDRN CCCN(C(=O)/C=C\c1ccc(C)nc1)c1cccnc1 ZINC000754339622 626568336 /nfs/dbraw/zinc/56/83/36/626568336.db2.gz LWJCKOSXBFELNV-HJWRWDBZSA-N 0 0 281.359 3.241 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCCOc3ccccc32)cn1 ZINC000754448287 626572405 /nfs/dbraw/zinc/57/24/05/626572405.db2.gz MRPDZUCTRAUPGC-MDZDMXLPSA-N 0 0 294.354 3.219 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000755530695 626628940 /nfs/dbraw/zinc/62/89/40/626628940.db2.gz MLLFBVSRZFKRHN-GFCCVEGCSA-N 0 0 293.407 3.479 20 10 CGCDRN CCC(CC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756345956 626694171 /nfs/dbraw/zinc/69/41/71/626694171.db2.gz ZWSAUVRDQIQHFV-JTQLQIEISA-N 0 0 265.353 3.018 20 10 CGCDRN CC(C)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756373773 626697659 /nfs/dbraw/zinc/69/76/59/626697659.db2.gz YQYLLHGEAWMBHU-NSHDSACASA-N 0 0 266.341 3.387 20 10 CGCDRN C[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000756465647 626707751 /nfs/dbraw/zinc/70/77/51/626707751.db2.gz KGVHGYZXRPOXBL-NSHDSACASA-N 0 0 293.313 3.400 20 10 CGCDRN CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756610809 626720744 /nfs/dbraw/zinc/72/07/44/626720744.db2.gz QVDXJCGPJHZOCF-CKYFFXLPSA-N 0 0 296.392 3.235 20 10 CGCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756628923 626721850 /nfs/dbraw/zinc/72/18/50/626721850.db2.gz YTOAZRHMQTZTES-JFGNBEQYSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000756635864 626722689 /nfs/dbraw/zinc/72/26/89/626722689.db2.gz BIYZHCWOPMALBA-DRZCJDIDSA-N 0 0 299.361 3.262 20 10 CGCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756635862 626722912 /nfs/dbraw/zinc/72/29/12/626722912.db2.gz HUQOXVXPHVRKMV-BLLLJJGKSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC=CCC1)c1cc(F)cc(F)c1[O-] ZINC000756733573 626728550 /nfs/dbraw/zinc/72/85/50/626728550.db2.gz QEHIIQNSQNUSJO-ONGXEEELSA-N 0 0 253.292 3.430 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(F)cc1[O-] ZINC000756760871 626730040 /nfs/dbraw/zinc/73/00/40/626730040.db2.gz ROOCLTWBWBRTTR-NSHDSACASA-N 0 0 287.334 3.412 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756779855 626731470 /nfs/dbraw/zinc/73/14/70/626731470.db2.gz NBPSGZKADOVYMN-DTHBNOIPSA-N 0 0 285.334 3.277 20 10 CGCDRN CC(C)CSCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756777157 626731486 /nfs/dbraw/zinc/73/14/86/626731486.db2.gz WBTCCVNMNMMJHS-NSHDSACASA-N 0 0 298.408 3.340 20 10 CGCDRN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000756782576 626732155 /nfs/dbraw/zinc/73/21/55/626732155.db2.gz CIOCBCBXXGACBB-WRWORJQWSA-N 0 0 297.704 3.010 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756790621 626732747 /nfs/dbraw/zinc/73/27/47/626732747.db2.gz PNRUTOVNCRTWSD-MRVPVSSYSA-N 0 0 296.710 3.398 20 10 CGCDRN COc1ccc(N[C@H](C)c2ccc(C)cc2O)nc1 ZINC000756845094 626737203 /nfs/dbraw/zinc/73/72/03/626737203.db2.gz OTVNSPYJVNOQIL-LLVKDONJSA-N 0 0 258.321 3.277 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cnn(-c3ccccn3)c2)c(O)c1 ZINC000756854949 626737750 /nfs/dbraw/zinc/73/77/50/626737750.db2.gz BWZLNUZRRSYXHZ-CYBMUJFWSA-N 0 0 294.358 3.454 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000806141287 626766985 /nfs/dbraw/zinc/76/69/85/626766985.db2.gz HUOTXBBUGZXIEB-SWLSCSKDSA-N 0 0 296.842 3.428 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)CC(F)F ZINC000839682654 626778469 /nfs/dbraw/zinc/77/84/69/626778469.db2.gz GULWFWGZZRFLRL-UHFFFAOYSA-N 0 0 298.377 3.359 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)ncn3C)c1 ZINC000757611950 626793699 /nfs/dbraw/zinc/79/36/99/626793699.db2.gz LQVKOUXAZSQEMK-NSHDSACASA-N 0 0 297.358 3.461 20 10 CGCDRN C[C@H](NC(=O)CC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000758057349 626824171 /nfs/dbraw/zinc/82/41/71/626824171.db2.gz PDPXKLMMPUAVTL-LBPRGKRZSA-N 0 0 260.381 3.120 20 10 CGCDRN C[C@@H]1CC[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000759170358 626877747 /nfs/dbraw/zinc/87/77/47/626877747.db2.gz IEAHNMATWLUSCA-OLZOCXBDSA-N 0 0 292.398 3.334 20 10 CGCDRN COc1ccc(N(CCF)Cc2ccco2)cc1F ZINC000759341715 626889049 /nfs/dbraw/zinc/88/90/49/626889049.db2.gz DDZOJXNKEBCEMJ-UHFFFAOYSA-N 0 0 267.275 3.403 20 10 CGCDRN C[C@@H]1C[C@H](C)N(C(=O)NCCCSc2nccs2)C1 ZINC000759602448 626908734 /nfs/dbraw/zinc/90/87/34/626908734.db2.gz VHPQAWOBHUXNCF-MNOVXSKESA-N 0 0 299.465 3.065 20 10 CGCDRN COC(=O)/C(C)=C\CN(C)c1ccc(OC(C)C)cc1 ZINC000759913450 626930678 /nfs/dbraw/zinc/93/06/78/626930678.db2.gz CDLJCXZLFGSNOT-RAXLEYEMSA-N 0 0 277.364 3.029 20 10 CGCDRN COc1cccc(O)c1CN(C)c1cccc(C)c1 ZINC000761214340 627025702 /nfs/dbraw/zinc/02/57/02/627025702.db2.gz LPSRGLLIXZLOLW-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1ccco1 ZINC000761750785 627059186 /nfs/dbraw/zinc/05/91/86/627059186.db2.gz UJGLOXSJFDXTBA-KTKRTIGZSA-N 0 0 285.343 3.437 20 10 CGCDRN O=C(Nc1cccc(-c2cn[nH]c2)c1)C1=CC(=O)CS1 ZINC000762320818 627105473 /nfs/dbraw/zinc/10/54/73/627105473.db2.gz LCLIBXOZKGHNIS-UHFFFAOYSA-N 0 0 285.328 3.096 20 10 CGCDRN C/C=C/C[C@@H](NCc1cc(Cl)ccc1O)C(=O)OCC ZINC000763361910 627153832 /nfs/dbraw/zinc/15/38/32/627153832.db2.gz NEMJXNVGQGMDSQ-MASHWEEQSA-N 0 0 297.782 3.033 20 10 CGCDRN OCc1ccc(Sc2ncc(Cl)s2)cc1 ZINC000765060919 627238687 /nfs/dbraw/zinc/23/86/87/627238687.db2.gz LUFCPSPHPAQGGL-UHFFFAOYSA-N 0 0 257.767 3.440 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)CC(C)C ZINC000765058529 627238811 /nfs/dbraw/zinc/23/88/11/627238811.db2.gz BCWZBVJTZIHFFB-CQSZACIVSA-N 0 0 276.424 3.359 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCC1(C)C)c1ccc(N(C)C)cc1 ZINC000805311019 627267997 /nfs/dbraw/zinc/26/79/97/627267997.db2.gz XCHGJIPRKUQRAN-WFASDCNBSA-N 0 0 289.423 3.301 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cscn1 ZINC000768107476 627459614 /nfs/dbraw/zinc/45/96/14/627459614.db2.gz YZHONLRBSKJKMJ-GFCCVEGCSA-N 0 0 275.421 3.368 20 10 CGCDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000768256439 627470952 /nfs/dbraw/zinc/47/09/52/627470952.db2.gz KDZRGWBCNCYIGI-CHWSQXEVSA-N 0 0 297.420 3.119 20 10 CGCDRN C[N@H+](Cc1cn[nH]c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769425184 627549915 /nfs/dbraw/zinc/54/99/15/627549915.db2.gz OYFQUFNNSZUHSX-UHFFFAOYSA-N 0 0 286.162 3.054 20 10 CGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000769418524 627550643 /nfs/dbraw/zinc/55/06/43/627550643.db2.gz RZWSWLZWTWWKQB-NOZJJQNGSA-N 0 0 297.301 3.038 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)c(O)c1 ZINC000769515096 627561832 /nfs/dbraw/zinc/56/18/32/627561832.db2.gz NOUVCKJALCPTPR-ZDUSSCGKSA-N 0 0 261.365 3.023 20 10 CGCDRN Fc1cc(-c2nc(-c3cocn3)no2)ccc1-n1cccc1 ZINC000771353327 627702170 /nfs/dbraw/zinc/70/21/70/627702170.db2.gz HMTPMLGPGOLQAY-UHFFFAOYSA-N 0 0 296.261 3.321 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(F)CCCC1 ZINC000771894066 627742194 /nfs/dbraw/zinc/74/21/94/627742194.db2.gz MHGSHVIBNUGPBF-UHFFFAOYSA-N 0 0 292.398 3.383 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3ccccc32)c1 ZINC000772117596 627764180 /nfs/dbraw/zinc/76/41/80/627764180.db2.gz BQGQILQPQPBAAG-WBTMPAOCSA-N 0 0 294.354 3.217 20 10 CGCDRN CCOc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000772295604 627782209 /nfs/dbraw/zinc/78/22/09/627782209.db2.gz ICBQEHUHIMZRIX-LBPRGKRZSA-N 0 0 286.379 3.114 20 10 CGCDRN Cc1ccccc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000772767758 627820453 /nfs/dbraw/zinc/82/04/53/627820453.db2.gz HBZGHCAEKYEJBB-CLFYSBASSA-N 0 0 284.311 3.163 20 10 CGCDRN CC[C@@H](C)[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000772917889 627832214 /nfs/dbraw/zinc/83/22/14/627832214.db2.gz ZCTRBDXKGFOUQM-ZYHUDNBSSA-N 0 0 267.394 3.495 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)n1C ZINC000772996316 627839329 /nfs/dbraw/zinc/83/93/29/627839329.db2.gz CYTNXMNQWXUMAX-CYBMUJFWSA-N 0 0 299.418 3.199 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000773008872 627841564 /nfs/dbraw/zinc/84/15/64/627841564.db2.gz HVSRRMDZHVZQHG-GFCCVEGCSA-N 0 0 286.375 3.453 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC12CCC2)c1ccc(N(C)C)cc1 ZINC000773015463 627842351 /nfs/dbraw/zinc/84/23/51/627842351.db2.gz OQGRTHLBPNFHJO-WFASDCNBSA-N 0 0 272.392 3.120 20 10 CGCDRN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773085894 627853202 /nfs/dbraw/zinc/85/32/02/627853202.db2.gz AHUOMLCBGFFHAX-LLVKDONJSA-N 0 0 264.369 3.338 20 10 CGCDRN C[C@H](NC(=O)NCCCC1CC1)c1ccc(N(C)C)cc1 ZINC000773308568 627872834 /nfs/dbraw/zinc/87/28/34/627872834.db2.gz VJHXOHGVYYYKPV-ZDUSSCGKSA-N 0 0 289.423 3.303 20 10 CGCDRN CS[C@H](C)CCC(=O)NCc1ccc(N(C)C)cc1C ZINC000773304574 627872990 /nfs/dbraw/zinc/87/29/90/627872990.db2.gz XBEFZJRXWMVOOQ-CYBMUJFWSA-N 0 0 294.464 3.209 20 10 CGCDRN CC(C)CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773620692 627900691 /nfs/dbraw/zinc/90/06/91/627900691.db2.gz VOWZFGKTPFGLLU-ZDUSSCGKSA-N 0 0 277.412 3.111 20 10 CGCDRN CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc21 ZINC000773778462 627914761 /nfs/dbraw/zinc/91/47/61/627914761.db2.gz XXNUBQYPCILEBA-CQSZACIVSA-N 0 0 297.354 3.498 20 10 CGCDRN CCCC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000774483495 627996963 /nfs/dbraw/zinc/99/69/63/627996963.db2.gz OSQRFGLAARRZOJ-BBRMVZONSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@H](NC(=O)OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775434298 628094799 /nfs/dbraw/zinc/09/47/99/628094799.db2.gz JGJGVKBEEKNFMO-VIFPVBQESA-N 0 0 290.285 3.102 20 10 CGCDRN Cc1cccc(CNc2cccc([S@](C)=O)c2)c1O ZINC000775755085 628133344 /nfs/dbraw/zinc/13/33/44/628133344.db2.gz FMHXYXKIYXTHTJ-IBGZPJMESA-N 0 0 275.373 3.050 20 10 CGCDRN C[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775916860 628148227 /nfs/dbraw/zinc/14/82/27/628148227.db2.gz SMSSBVCUFWXFKZ-VIFPVBQESA-N 0 0 283.730 3.499 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000776174855 628175773 /nfs/dbraw/zinc/17/57/73/628175773.db2.gz HXFUWQFXALCKBM-CQSZACIVSA-N 0 0 295.741 3.008 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776222647 628182134 /nfs/dbraw/zinc/18/21/34/628182134.db2.gz PDJZKGIXKSUDGZ-LLVKDONJSA-N 0 0 276.767 3.161 20 10 CGCDRN CCC(CC)(CC(=O)OC)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776222075 628182423 /nfs/dbraw/zinc/18/24/23/628182423.db2.gz FIUXQVAMURKPBH-UHFFFAOYSA-N 0 0 299.798 3.257 20 10 CGCDRN CCOc1ccc(CNc2cnn(C(C)C)c2)c(O)c1 ZINC000777465240 628274203 /nfs/dbraw/zinc/27/42/03/628274203.db2.gz GULDDHMDLFUGHM-UHFFFAOYSA-N 0 0 275.352 3.180 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)[C@H](F)C2)c1O ZINC000778237518 628337086 /nfs/dbraw/zinc/33/70/86/628337086.db2.gz PXSZHSGOWNBCIR-YMTOWFKASA-N 0 0 299.773 3.428 20 10 CGCDRN CCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1F ZINC000778248370 628337763 /nfs/dbraw/zinc/33/77/63/628337763.db2.gz OGSHSWZWSFUYFZ-XFFZJAGNSA-N 0 0 297.376 3.055 20 10 CGCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1C ZINC000780778925 628516694 /nfs/dbraw/zinc/51/66/94/628516694.db2.gz YGRPTXCHVDRZCX-UHFFFAOYSA-N 0 0 285.343 3.369 20 10 CGCDRN COc1ccc(CN(C)c2ccc(OC)c(F)c2)cc1 ZINC000780779560 628516916 /nfs/dbraw/zinc/51/69/16/628516916.db2.gz MCUPDXCTGWFERH-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C1=CC(=O)CS1 ZINC000780813872 628519455 /nfs/dbraw/zinc/51/94/55/628519455.db2.gz NNBBLVDEFVDHOU-HTQZYQBOSA-N 0 0 293.310 3.257 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@@H](C)Cc3ccccc32)c(O)c1O ZINC000780931405 628525240 /nfs/dbraw/zinc/52/52/40/628525240.db2.gz JBJKSBJVJCWXIP-NSHDSACASA-N 0 0 297.354 3.245 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(O)c1O ZINC000780950344 628525638 /nfs/dbraw/zinc/52/56/38/628525638.db2.gz LSPRHZBYBDCZCM-RWMBFGLXSA-N 0 0 289.375 3.105 20 10 CGCDRN CCN1C(=O)/C(=C\c2scnc2C2CC2)SC1=S ZINC000782303394 628636887 /nfs/dbraw/zinc/63/68/87/628636887.db2.gz XZSBUUKNDWKHPH-WEVVVXLNSA-N 0 0 296.442 3.242 20 10 CGCDRN COc1ccc(N(CC(C)C)C[C@@H](C)OC)cc1 ZINC000782480173 628649235 /nfs/dbraw/zinc/64/92/35/628649235.db2.gz UIRIGFLPZXIVBP-CYBMUJFWSA-N 0 0 251.370 3.193 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cc(F)cc(F)c1[O-] ZINC000783311590 628703099 /nfs/dbraw/zinc/70/30/99/628703099.db2.gz WBSYZUBDYSVSMQ-MWLCHTKSSA-N 0 0 269.291 3.014 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccc1C)c1cccc(OC)c1 ZINC000783894551 628755864 /nfs/dbraw/zinc/75/58/64/628755864.db2.gz IVIUYDYCPNFFQP-CMDGGOBGSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1CCc2cccc(F)c21 ZINC000784079988 628776713 /nfs/dbraw/zinc/77/67/13/628776713.db2.gz PHUXKUXRJJKBLJ-AATRIKPKSA-N 0 0 282.318 3.132 20 10 CGCDRN COc1cccc(CNc2ccc3c(c2)C[C@@H](OC)C3)c1O ZINC000784637170 628826613 /nfs/dbraw/zinc/82/66/13/628826613.db2.gz QYWLGPGOPBQFLX-INIZCTEOSA-N 0 0 299.370 3.127 20 10 CGCDRN CO[C@H]1Cc2ccc(NCc3ccc(N(C)C)cc3)cc2C1 ZINC000784636218 628826711 /nfs/dbraw/zinc/82/67/11/628826711.db2.gz NCDLVVNBZOLYDB-IBGZPJMESA-N 0 0 296.414 3.478 20 10 CGCDRN CC1(C)CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000785585294 628872113 /nfs/dbraw/zinc/87/21/13/628872113.db2.gz VFILZEWKFFROFJ-ZDUSSCGKSA-N 0 0 276.380 3.160 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000875392895 634695954 /nfs/dbraw/zinc/69/59/54/634695954.db2.gz NVWFJZOLAXZTPA-GFCCVEGCSA-N 0 0 298.333 3.078 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCSC1 ZINC000787269289 629006712 /nfs/dbraw/zinc/00/67/12/629006712.db2.gz AXSZPMCGEJZJJW-LBPRGKRZSA-N 0 0 263.406 3.201 20 10 CGCDRN CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788593477 629066871 /nfs/dbraw/zinc/06/68/71/629066871.db2.gz PXYATITUTQIQEA-NXEZZACHSA-N 0 0 291.313 3.223 20 10 CGCDRN CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788629377 629070123 /nfs/dbraw/zinc/07/01/23/629070123.db2.gz AVFPMXYUDVAGAG-VHSXEESVSA-N 0 0 291.313 3.223 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788787095 629081867 /nfs/dbraw/zinc/08/18/67/629081867.db2.gz YNEZERRXBRSTSP-VHSXEESVSA-N 0 0 289.297 3.241 20 10 CGCDRN CCOc1ccc(N(CC)CCC[C@@H](C)O)cc1 ZINC000789341747 629125462 /nfs/dbraw/zinc/12/54/62/629125462.db2.gz AKBLOSRMUFKQQB-CYBMUJFWSA-N 0 0 251.370 3.073 20 10 CGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccsc1 ZINC000875566144 634711776 /nfs/dbraw/zinc/71/17/76/634711776.db2.gz VFSIKMRIXITULO-SNVBAGLBSA-N 0 0 288.372 3.240 20 10 CGCDRN CC(C)CCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000789953415 629176520 /nfs/dbraw/zinc/17/65/20/629176520.db2.gz SFLCZHCJNNADDD-SNVBAGLBSA-N 0 0 283.343 3.182 20 10 CGCDRN CC[C@@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000790912874 629240988 /nfs/dbraw/zinc/24/09/88/629240988.db2.gz IWBOUBFMVZYZMD-CHWSQXEVSA-N 0 0 262.397 3.366 20 10 CGCDRN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790958654 629242928 /nfs/dbraw/zinc/24/29/28/629242928.db2.gz KAUHOWXVRNHNFA-OTYXRUKQSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccncc1 ZINC000790974276 629244748 /nfs/dbraw/zinc/24/47/48/629244748.db2.gz QSQIBKZYYSCMDK-SNVBAGLBSA-N 0 0 294.757 3.473 20 10 CGCDRN CCC(O)(CC)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790991090 629247422 /nfs/dbraw/zinc/24/74/22/629247422.db2.gz JYIARNQGJFCGEC-UHFFFAOYSA-N 0 0 289.778 3.216 20 10 CGCDRN Oc1c(F)cc(Cl)cc1Cn1cnc2c1CCCC2 ZINC000862431704 629371760 /nfs/dbraw/zinc/37/17/60/629371760.db2.gz QPRNGFJOILCIHE-UHFFFAOYSA-N 0 0 280.730 3.308 20 10 CGCDRN Cc1cc(O)c(CNc2cnn(CCF)c2)cc1Cl ZINC000862483957 629386300 /nfs/dbraw/zinc/38/63/00/629386300.db2.gz ZJYLBHCHFTXIPV-UHFFFAOYSA-N 0 0 283.734 3.132 20 10 CGCDRN C/C(=C\C(=O)NCc1cc(C)ccc1O)C(C)(C)C ZINC000862754428 629428663 /nfs/dbraw/zinc/42/86/63/629428663.db2.gz XSIZZOJJYAXCNW-FMIVXFBMSA-N 0 0 261.365 3.309 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2(C3CCC3)CCC2)c1 ZINC000862755649 629430008 /nfs/dbraw/zinc/43/00/08/629430008.db2.gz VTMAXGIAQNWILX-UHFFFAOYSA-N 0 0 273.376 3.287 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCCC(F)(F)F)c1 ZINC000862758084 629430625 /nfs/dbraw/zinc/43/06/25/629430625.db2.gz OFTVHBHNBNFSRI-UHFFFAOYSA-N 0 0 275.270 3.049 20 10 CGCDRN CCCCS[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862758582 629430704 /nfs/dbraw/zinc/43/07/04/629430704.db2.gz DLGWGWOXUPHWLA-GFCCVEGCSA-N 0 0 281.421 3.239 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCc2ccccc2C)c1 ZINC000862760532 629431850 /nfs/dbraw/zinc/43/18/50/629431850.db2.gz UENQZFMSATVCIW-UHFFFAOYSA-N 0 0 283.371 3.258 20 10 CGCDRN C[C@H](Nc1ccc2ccn(C)c(=O)c2c1)c1ccccc1O ZINC000793564240 629485124 /nfs/dbraw/zinc/48/51/24/629485124.db2.gz LHLRWGFYUMNQAV-LBPRGKRZSA-N 0 0 294.354 3.417 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000793610351 629490261 /nfs/dbraw/zinc/49/02/61/629490261.db2.gz UMKLOKOUFHFFDO-ZDUSSCGKSA-N 0 0 283.799 3.173 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC2CC(C)(C)C2)cc1F ZINC000794255248 629526350 /nfs/dbraw/zinc/52/63/50/629526350.db2.gz PWSFZXYNXBMQHV-UHFFFAOYSA-N 0 0 292.398 3.334 20 10 CGCDRN COc1ccc(CNC(=O)[C@H]2CCCCC2(C)C)c(O)c1 ZINC000794388609 629538567 /nfs/dbraw/zinc/53/85/67/629538567.db2.gz YRDKSQFVQDJDKZ-CQSZACIVSA-N 0 0 291.391 3.233 20 10 CGCDRN O=C(CSc1nccs1)[C@@H]1Cc2ccccc21 ZINC000794427526 629542330 /nfs/dbraw/zinc/54/23/30/629542330.db2.gz QGPRJIGSWNNZMI-LLVKDONJSA-N 0 0 261.371 3.144 20 10 CGCDRN O=C(NCC1(C(F)(F)F)CCCC1)C1=CC(=O)CS1 ZINC000863511048 629594671 /nfs/dbraw/zinc/59/46/71/629594671.db2.gz PQAOTRDQHVBXMN-UHFFFAOYSA-N 0 0 293.310 3.306 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000795269460 629654481 /nfs/dbraw/zinc/65/44/81/629654481.db2.gz DSGGANOTTFRIGX-DGCLKSJQSA-N 0 0 296.361 3.365 20 10 CGCDRN COc1ccc(CNc2ncccc2C(F)(F)F)c(O)c1 ZINC000795283585 629655883 /nfs/dbraw/zinc/65/58/83/629655883.db2.gz CQGVLBAUVUBJOH-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN Cc1cc(NS(=O)(=O)c2ccsc2)c(C)c(C)c1O ZINC000795350307 629663332 /nfs/dbraw/zinc/66/33/32/629663332.db2.gz CIWWGCMKTZENNK-UHFFFAOYSA-N 0 0 297.401 3.180 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1ccco1 ZINC000863928845 629699755 /nfs/dbraw/zinc/69/97/55/629699755.db2.gz YQYMHBIASUZWST-VXGBXAGGSA-N 0 0 291.734 3.059 20 10 CGCDRN COc1ccc(N(C)Cc2cccc3c2CCOC3)cc1 ZINC000864031696 629730549 /nfs/dbraw/zinc/73/05/49/629730549.db2.gz MHTQWCUCIPYZKH-UHFFFAOYSA-N 0 0 283.371 3.404 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796696831 629816225 /nfs/dbraw/zinc/81/62/25/629816225.db2.gz VSQFUJJJKSPYDL-BBRMVZONSA-N 0 0 294.414 3.304 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2C)c1 ZINC000798937065 630127576 /nfs/dbraw/zinc/12/75/76/630127576.db2.gz JPGPDNWGCYODHR-SGMGOOAPSA-N 0 0 291.391 3.266 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000799736144 630228249 /nfs/dbraw/zinc/22/82/49/630228249.db2.gz IMHZNPZMNATQNN-NXEZZACHSA-N 0 0 287.762 3.184 20 10 CGCDRN Cc1noc2ncnc(N[C@H](C)c3ccc(N(C)C)cc3)c12 ZINC000799952097 630246608 /nfs/dbraw/zinc/24/66/08/630246608.db2.gz FVADDEPDXHPYAF-SNVBAGLBSA-N 0 0 297.362 3.165 20 10 CGCDRN CSCC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000799989733 630251581 /nfs/dbraw/zinc/25/15/81/630251581.db2.gz VHMNJYRJCKTBQC-LBPRGKRZSA-N 0 0 294.464 3.319 20 10 CGCDRN COc1ccc(N2CCC(NC3(C(F)F)CC3)CC2)cc1 ZINC000800502071 630289502 /nfs/dbraw/zinc/28/95/02/630289502.db2.gz LWCXENUCZVQHOQ-UHFFFAOYSA-N 0 0 296.361 3.051 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)C1CC1 ZINC000839920814 630296594 /nfs/dbraw/zinc/29/65/94/630296594.db2.gz UOTSTOWWKRZYTI-UONOGXRCSA-N 0 0 288.435 3.154 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(F)cn1 ZINC000804460208 630529584 /nfs/dbraw/zinc/52/95/84/630529584.db2.gz ILDYRVOICNNVRA-UHFFFAOYSA-N 0 0 259.328 3.207 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C ZINC000807260986 630586695 /nfs/dbraw/zinc/58/66/95/630586695.db2.gz VIGSCPNZCVXHPL-CZUORRHYSA-N 0 0 289.423 3.081 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H]1C ZINC000807555445 630592518 /nfs/dbraw/zinc/59/25/18/630592518.db2.gz ASHGIRFAMRVFJM-TZMCWYRMSA-N 0 0 276.380 3.112 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C)CCCC1 ZINC000808094332 630622154 /nfs/dbraw/zinc/62/21/54/630622154.db2.gz KMPQNZMOKWOMTA-UHFFFAOYSA-N 0 0 282.380 3.074 20 10 CGCDRN CC(C)SCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808419668 630643176 /nfs/dbraw/zinc/64/31/76/630643176.db2.gz NELSPJZAQMJNQL-UHFFFAOYSA-N 0 0 277.792 3.416 20 10 CGCDRN Cc1cc(Cl)cc([C@H](C)NCc2cocn2)c1O ZINC000808711270 630669200 /nfs/dbraw/zinc/66/92/00/630669200.db2.gz ZPZFDERMLMOOEO-VIFPVBQESA-N 0 0 266.728 3.193 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1[O-] ZINC000808778277 630677042 /nfs/dbraw/zinc/67/70/42/630677042.db2.gz QOKPFLJJPXGAQW-CYBMUJFWSA-N 0 0 291.366 3.356 20 10 CGCDRN Cc1cc(Cl)cc(CN[C@@H](C)C(F)(F)F)c1O ZINC000809783494 630808492 /nfs/dbraw/zinc/80/84/92/630808492.db2.gz FGKXUZGAJGISIJ-ZETCQYMHSA-N 0 0 267.678 3.394 20 10 CGCDRN O=C1OCc2ccc(NCc3cccc(Cl)c3O)cc21 ZINC000809789121 630809469 /nfs/dbraw/zinc/80/94/69/630809469.db2.gz USYWBQDWHNXZEI-UHFFFAOYSA-N 0 0 289.718 3.328 20 10 CGCDRN O=C1OCc2c1cccc2NCc1c(O)cccc1Cl ZINC000809791338 630811042 /nfs/dbraw/zinc/81/10/42/630811042.db2.gz KCDKKMIEYITFSW-UHFFFAOYSA-N 0 0 289.718 3.328 20 10 CGCDRN CN(C)c1ccc(OCCOc2ccccc2F)cc1 ZINC000810001362 630826464 /nfs/dbraw/zinc/82/64/64/630826464.db2.gz CMURXXBDXXJKHR-UHFFFAOYSA-N 0 0 275.323 3.350 20 10 CGCDRN COc1cccc(O)c1CNc1cc(C2CC2)ccn1 ZINC000810175632 630849601 /nfs/dbraw/zinc/84/96/01/630849601.db2.gz PROCWLTVBDGSJR-UHFFFAOYSA-N 0 0 270.332 3.285 20 10 CGCDRN CSC1(CN(C)c2ccc3c(c2)OCO3)CCC1 ZINC000811488228 631074432 /nfs/dbraw/zinc/07/44/32/631074432.db2.gz PALJMMORDWJNIM-UHFFFAOYSA-N 0 0 265.378 3.137 20 10 CGCDRN CCCc1nsc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000812453584 631262338 /nfs/dbraw/zinc/26/23/38/631262338.db2.gz NMBMZOJQXVUVBX-UHFFFAOYSA-N 0 0 290.436 3.193 20 10 CGCDRN COc1cccc(NC(=S)NNc2ccccc2F)c1 ZINC000812474874 631265101 /nfs/dbraw/zinc/26/51/01/631265101.db2.gz HJWOUUDAVPVRJL-UHFFFAOYSA-N 0 0 291.351 3.148 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(F)cc1[O-] ZINC000812738604 631300290 /nfs/dbraw/zinc/30/02/90/631300290.db2.gz XKKBEHSWVSYDRY-NSHDSACASA-N 0 0 299.349 3.269 20 10 CGCDRN C[C@@H]([NH2+]C1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815561743 631795167 /nfs/dbraw/zinc/79/51/67/631795167.db2.gz OVJBTAUCTRVWQR-SECBINFHSA-N 0 0 289.297 3.241 20 10 CGCDRN CCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815561059 631795720 /nfs/dbraw/zinc/79/57/20/631795720.db2.gz XFDOSBNCMRLEFY-VIFPVBQESA-N 0 0 277.286 3.098 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815565343 631796130 /nfs/dbraw/zinc/79/61/30/631796130.db2.gz LETMAGLCEUOOBQ-VHSXEESVSA-N 0 0 289.297 3.098 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000815835002 631827159 /nfs/dbraw/zinc/82/71/59/631827159.db2.gz HZXOSWUJWMBGSJ-PXDYOCJYSA-N 0 0 289.375 3.014 20 10 CGCDRN C[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(F)F ZINC000816180526 631895766 /nfs/dbraw/zinc/89/57/66/631895766.db2.gz RWHCEXLBDGFJEN-MNOVXSKESA-N 0 0 284.350 3.221 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CCOCC1 ZINC000816507250 631998093 /nfs/dbraw/zinc/99/80/93/631998093.db2.gz BDYUMXKBGKCWAA-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000816535253 632006047 /nfs/dbraw/zinc/00/60/47/632006047.db2.gz KDEMVWZXWMDKGM-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCNc1ccccc1 ZINC000816554506 632009684 /nfs/dbraw/zinc/00/96/84/632009684.db2.gz AIFMSQYPCGLYNE-UHFFFAOYSA-N 0 0 294.757 3.386 20 10 CGCDRN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816556160 632011740 /nfs/dbraw/zinc/01/17/40/632011740.db2.gz BMWDSVSFQISLPI-NXEZZACHSA-N 0 0 287.762 3.089 20 10 CGCDRN CN(Cc1c(F)ccc(O)c1F)c1ccc2c(c1)OCO2 ZINC000816566359 632014474 /nfs/dbraw/zinc/01/44/74/632014474.db2.gz SGTFBDKRSLUTBB-UHFFFAOYSA-N 0 0 293.269 3.036 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(F)c[nH]1 ZINC000816593555 632019525 /nfs/dbraw/zinc/01/95/25/632019525.db2.gz VTQHBNIZYNTTNK-UHFFFAOYSA-N 0 0 290.338 3.302 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCOC[C@H]1CC1CCC1 ZINC000816667067 632042200 /nfs/dbraw/zinc/04/22/00/632042200.db2.gz BWFGBTXQQQPKCP-OAHLLOKOSA-N 0 0 295.810 3.437 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000817415247 632145766 /nfs/dbraw/zinc/14/57/66/632145766.db2.gz PYZVXVVESZRBFS-WDEREUQCSA-N 0 0 287.762 3.232 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCO1 ZINC000817585218 632190510 /nfs/dbraw/zinc/19/05/10/632190510.db2.gz CQNVWIRUMPWKKO-YUSALJHKSA-N 0 0 285.334 3.279 20 10 CGCDRN COCCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760454 632222803 /nfs/dbraw/zinc/22/28/03/632222803.db2.gz BTFRUSOKUZOMLO-UHFFFAOYSA-N 0 0 275.348 3.127 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCSC3)cc12 ZINC000817760307 632223210 /nfs/dbraw/zinc/22/32/10/632223210.db2.gz AHOBAGKXEQSTGO-GFCCVEGCSA-N 0 0 289.400 3.454 20 10 CGCDRN CC1(C)CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000819181496 632396235 /nfs/dbraw/zinc/39/62/35/632396235.db2.gz YHYVFXRZXXPUDX-STMXVASLSA-N 0 0 289.375 3.054 20 10 CGCDRN CCOc1ccccc1NC[C@H](O)CCC(C)C ZINC000819392861 632447791 /nfs/dbraw/zinc/44/77/91/632447791.db2.gz YZGVIOSLECUMRT-CYBMUJFWSA-N 0 0 251.370 3.294 20 10 CGCDRN CC(C)(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820189331 632584332 /nfs/dbraw/zinc/58/43/32/632584332.db2.gz YIGSAMVDWQCORX-UHFFFAOYSA-N 0 0 290.367 3.405 20 10 CGCDRN C[C@@H](NC(=O)C1(C)CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000822081896 632864002 /nfs/dbraw/zinc/86/40/02/632864002.db2.gz IHBAJVQBQPTUJN-LLVKDONJSA-N 0 0 296.361 3.365 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC000822265096 632892316 /nfs/dbraw/zinc/89/23/16/632892316.db2.gz IYRIYKVVYWFCOC-YQQAZPJKSA-N 0 0 286.419 3.147 20 10 CGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1(C)CCCC1 ZINC000822521204 632958269 /nfs/dbraw/zinc/95/82/69/632958269.db2.gz JIXWEJGSXBGCAY-UHFFFAOYSA-N 0 0 288.351 3.254 20 10 CGCDRN CC(C)=C(C)CC(=O)NCc1ccc2cccnc2c1O ZINC000823769483 633150436 /nfs/dbraw/zinc/15/04/36/633150436.db2.gz OIINGVVLHXAJBH-UHFFFAOYSA-N 0 0 284.359 3.303 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(F)cc1[O-] ZINC000866530027 633176015 /nfs/dbraw/zinc/17/60/15/633176015.db2.gz VSXBYAAZOXKRKE-OLZOCXBDSA-N 0 0 293.382 3.389 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OC ZINC000824597561 633263042 /nfs/dbraw/zinc/26/30/42/633263042.db2.gz URGPYWJHRSBVQY-LKFCYVNXSA-N 0 0 289.778 3.335 20 10 CGCDRN CC(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000824694193 633274168 /nfs/dbraw/zinc/27/41/68/633274168.db2.gz UEIRAPLDAPDQHC-ZDUSSCGKSA-N 0 0 288.351 3.013 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)c1ccccc1O ZINC000868019814 633289435 /nfs/dbraw/zinc/28/94/35/633289435.db2.gz XREUFVVNRQRKPC-BLLLJJGKSA-N 0 0 296.370 3.440 20 10 CGCDRN COc1ccc(N(C)Cc2ccccn2)cc1Cl ZINC000121978604 633290917 /nfs/dbraw/zinc/29/09/17/633290917.db2.gz GAGBPIWFYQWADW-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868139794 633298701 /nfs/dbraw/zinc/29/87/01/633298701.db2.gz FNEJIRQPPBXWMD-SDDRHHMPSA-N 0 0 264.369 3.187 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])c2nccn21 ZINC000825017353 633317339 /nfs/dbraw/zinc/31/73/39/633317339.db2.gz PNYKVFGJHLDYIA-PELKAZGASA-N 0 0 295.745 3.177 20 10 CGCDRN CCCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868399666 633320358 /nfs/dbraw/zinc/32/03/58/633320358.db2.gz HNTVPSRMMUFRBJ-LBPRGKRZSA-N 0 0 276.380 3.333 20 10 CGCDRN CCc1ncc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)o1 ZINC000825078762 633325862 /nfs/dbraw/zinc/32/58/62/633325862.db2.gz CKVANQYLPRJTNZ-UHFFFAOYSA-N 0 0 284.718 3.025 20 10 CGCDRN CO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000825104443 633329151 /nfs/dbraw/zinc/32/91/51/633329151.db2.gz XAGJZQOTXQWFGX-UONOGXRCSA-N 0 0 295.810 3.435 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134294 633331888 /nfs/dbraw/zinc/33/18/88/633331888.db2.gz XZWFTCFKCDBMKG-OAHLLOKOSA-N 0 0 299.773 3.187 20 10 CGCDRN C[C@H](NC(=O)NCCCCC1CC1)c1ccccc1O ZINC000869059496 633397515 /nfs/dbraw/zinc/39/75/15/633397515.db2.gz RLLPERGIKPVTLI-LBPRGKRZSA-N 0 0 276.380 3.333 20 10 CGCDRN Cc1noc([C@@H](C)N(C)Cc2cc(Cl)c(C)cc2O)n1 ZINC000826535415 633411610 /nfs/dbraw/zinc/41/16/10/633411610.db2.gz WKXXXSRMSACVLP-SECBINFHSA-N 0 0 295.770 3.238 20 10 CGCDRN CC[C@H](C)[C@H](C)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000826566070 633414700 /nfs/dbraw/zinc/41/47/00/633414700.db2.gz XVRKEIKTKRSBIM-UWVGGRQHSA-N 0 0 267.394 3.493 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000827319301 633481856 /nfs/dbraw/zinc/48/18/56/633481856.db2.gz BKEAXMFFDZJHIV-GFCCVEGCSA-N 0 0 257.736 3.463 20 10 CGCDRN CC1(C)CC([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000827780499 633516704 /nfs/dbraw/zinc/51/67/04/633516704.db2.gz YCUIELBZACKISW-UHFFFAOYSA-N 0 0 257.736 3.463 20 10 CGCDRN Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827923052 633534773 /nfs/dbraw/zinc/53/47/73/633534773.db2.gz IURVUYZEBQZXRL-KGLIPLIRSA-N 0 0 299.370 3.345 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)o1 ZINC000827923191 633535004 /nfs/dbraw/zinc/53/50/04/633535004.db2.gz LABJKKCMBWQOJM-SNVBAGLBSA-N 0 0 259.305 3.093 20 10 CGCDRN C[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccccc1O ZINC000827923759 633535240 /nfs/dbraw/zinc/53/52/40/633535240.db2.gz ZIDRBIIEAHYPQU-CYBMUJFWSA-N 0 0 281.355 3.301 20 10 CGCDRN CCO[C@@H](CC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000827937355 633537100 /nfs/dbraw/zinc/53/71/00/633537100.db2.gz SZXIPKSWZMHTTC-DOMZBBRYSA-N 0 0 279.380 3.021 20 10 CGCDRN C[C@H](CC(=O)N[C@H](C)c1ccccc1O)c1ccncc1 ZINC000827937380 633537368 /nfs/dbraw/zinc/53/73/68/633537368.db2.gz ULNFCLJPNCDKEV-CHWSQXEVSA-N 0 0 284.359 3.158 20 10 CGCDRN CC(C)n1cccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827940928 633537984 /nfs/dbraw/zinc/53/79/84/633537984.db2.gz KSGOTMGQHAQTQN-GFCCVEGCSA-N 0 0 272.348 3.266 20 10 CGCDRN C[C@@H](NC(=O)c1coc(C2CCC2)n1)c1ccccc1O ZINC000827947024 633538857 /nfs/dbraw/zinc/53/88/57/633538857.db2.gz YLGFGDHOBOGLOH-SNVBAGLBSA-N 0 0 286.331 3.139 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827952099 633539060 /nfs/dbraw/zinc/53/90/60/633539060.db2.gz GIVDTWULZFNDKS-DYEKYZERSA-N 0 0 261.365 3.396 20 10 CGCDRN C/C(=C/C(=O)NCc1ccc(N(C)C)cc1C)c1ccco1 ZINC000827955391 633539522 /nfs/dbraw/zinc/53/95/22/633539522.db2.gz GQAIIBNPDCIIIB-KAMYIIQDSA-N 0 0 298.386 3.374 20 10 CGCDRN CC(C)c1ncsc1C(=O)N[C@H](C)c1ccccc1O ZINC000827952621 633539547 /nfs/dbraw/zinc/53/95/47/633539547.db2.gz YVEXKIHGMRPJCU-SNVBAGLBSA-N 0 0 290.388 3.463 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1O ZINC000827956355 633539706 /nfs/dbraw/zinc/53/97/06/633539706.db2.gz KTWXPBHWUMJGMN-RAIGVLPGSA-N 0 0 261.365 3.252 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000827963896 633541014 /nfs/dbraw/zinc/54/10/14/633541014.db2.gz DHCSYVXWQPBIHI-QWRGUYRKSA-N 0 0 283.318 3.395 20 10 CGCDRN CC(C)c1ncsc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964881 633541774 /nfs/dbraw/zinc/54/17/74/633541774.db2.gz YVEXKIHGMRPJCU-JTQLQIEISA-N 0 0 290.388 3.463 20 10 CGCDRN CC(C)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)nc1 ZINC000827964347 633542080 /nfs/dbraw/zinc/54/20/80/633542080.db2.gz LMOJKVLNTGDKJZ-LBPRGKRZSA-N 0 0 284.359 3.402 20 10 CGCDRN Cc1nc(C2CC2)ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964724 633542149 /nfs/dbraw/zinc/54/21/49/633542149.db2.gz SIROKTYJJLHOPR-NSHDSACASA-N 0 0 296.370 3.464 20 10 CGCDRN CCCC(O)(CCC)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827973220 633542671 /nfs/dbraw/zinc/54/26/71/633542671.db2.gz LFWIMIYHLZASLZ-ZDUSSCGKSA-N 0 0 293.407 3.291 20 10 CGCDRN C[C@H](NC(=O)/C=C1/CC[C@H](C)C1)c1ccccc1O ZINC000827973215 633542766 /nfs/dbraw/zinc/54/27/66/633542766.db2.gz LEZJVIOVMKVUBK-QUVIIPFCSA-N 0 0 259.349 3.316 20 10 CGCDRN Cc1ccc(CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198023 633722083 /nfs/dbraw/zinc/72/20/83/633722083.db2.gz DSYNWMKJDFJHEN-UHFFFAOYSA-N 0 0 281.355 3.176 20 10 CGCDRN Cc1ccccc1NCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871198257 633722246 /nfs/dbraw/zinc/72/22/46/633722246.db2.gz FAGVTIGVOBQZJP-UHFFFAOYSA-N 0 0 296.370 3.045 20 10 CGCDRN Cc1cccc(O[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871198733 633722897 /nfs/dbraw/zinc/72/28/97/633722897.db2.gz KXDXESZAUAMNMK-ZDUSSCGKSA-N 0 0 297.354 3.010 20 10 CGCDRN O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1Cc2cccc(O)c2C1 ZINC000871204516 633724327 /nfs/dbraw/zinc/72/43/27/633724327.db2.gz FAYGJJAPMHQLTN-GXSJLCMTSA-N 0 0 299.292 3.213 20 10 CGCDRN CCCCCCO[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206091 633725461 /nfs/dbraw/zinc/72/54/61/633725461.db2.gz RDUKPMRHIXDCCX-CYBMUJFWSA-N 0 0 291.391 3.220 20 10 CGCDRN C[C@H]1OCC[C@H]1COc1ccc(N2CCCC2)cc1 ZINC000871736606 633848020 /nfs/dbraw/zinc/84/80/20/633848020.db2.gz RAFXPYZBBJXKFT-KGLIPLIRSA-N 0 0 261.365 3.091 20 10 CGCDRN CC(C)(C)c1cnc(NC(=O)Cc2ccc(N)cc2)s1 ZINC000830670824 633878552 /nfs/dbraw/zinc/87/85/52/633878552.db2.gz QJZLVEKBVZUBRM-UHFFFAOYSA-N 0 0 289.404 3.204 20 10 CGCDRN C[C@@H]1Cc2ncn(Cc3ccc(N(C)C)cc3)c2C[C@H]1C ZINC000830918592 633897896 /nfs/dbraw/zinc/89/78/96/633897896.db2.gz GCMLVKDJKUHDHM-ZIAGYGMSSA-N 0 0 283.419 3.368 20 10 CGCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000846185432 636155628 /nfs/dbraw/zinc/15/56/28/636155628.db2.gz WMEGKPISQBWEBL-RBZYPMLTSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)c2c(O)cccc21 ZINC000832290119 634042510 /nfs/dbraw/zinc/04/25/10/634042510.db2.gz MWLKHDGUNSFMPR-VIFPVBQESA-N 0 0 289.356 3.313 20 10 CGCDRN O=C(NCc1ccc(C2CC2)cc1F)C1=CC(=O)CS1 ZINC000832446524 634060562 /nfs/dbraw/zinc/06/05/62/634060562.db2.gz XGCANNSXMPGAAB-UHFFFAOYSA-N 0 0 291.347 3.400 20 10 CGCDRN O=C(Nc1ccc(C2CCC2)cn1)C1=CC(=O)CS1 ZINC000832908937 634104013 /nfs/dbraw/zinc/10/40/13/634104013.db2.gz SSFRINKOEXUPGT-UHFFFAOYSA-N 0 0 274.345 3.369 20 10 CGCDRN O=C(NCC[C@@H]1CCc2ccccc21)C1=CC(=O)CS1 ZINC000833398360 634119464 /nfs/dbraw/zinc/11/94/64/634119464.db2.gz FTJUXYODCANGAH-LBPRGKRZSA-N 0 0 287.384 3.304 20 10 CGCDRN CCCOc1ccc(CNCc2cocn2)cc1C ZINC000873048325 634237660 /nfs/dbraw/zinc/23/76/60/634237660.db2.gz WYULCVLVEOJGQM-UHFFFAOYSA-N 0 0 260.337 3.062 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(Cl)c1[O-] ZINC000834830765 634250769 /nfs/dbraw/zinc/25/07/69/634250769.db2.gz GWGLXXDCTNWARW-CHWSQXEVSA-N 0 0 291.782 3.428 20 10 CGCDRN CCCOc1ccc(CN[C@@H](C)c2csnn2)cc1C ZINC000873132243 634253955 /nfs/dbraw/zinc/25/39/55/634253955.db2.gz MDWDSSVXSFXCNP-LBPRGKRZSA-N 0 0 291.420 3.486 20 10 CGCDRN COCC(C)(C)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000873153006 634259740 /nfs/dbraw/zinc/25/97/40/634259740.db2.gz RXSFLRGJILTZRL-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN CC[C@H]([NH2+]CCC1(CO)CC1)c1cccc(Cl)c1[O-] ZINC000834896648 634273225 /nfs/dbraw/zinc/27/32/25/634273225.db2.gz MJCXVGKAQSTASQ-ZDUSSCGKSA-N 0 0 283.799 3.249 20 10 CGCDRN CCc1nc(CN[C@H](C)c2cc(C)ccc2O)co1 ZINC000834899103 634275656 /nfs/dbraw/zinc/27/56/56/634275656.db2.gz OSZDQYPDXPVIIR-LLVKDONJSA-N 0 0 260.337 3.102 20 10 CGCDRN C[C@H]([NH2+]CCN1CCCC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000834912102 634285022 /nfs/dbraw/zinc/28/50/22/634285022.db2.gz VYWSQISLRAFPCI-NSHDSACASA-N 0 0 298.377 3.195 20 10 CGCDRN CCCn1cc(NC/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835034030 634327629 /nfs/dbraw/zinc/32/76/29/634327629.db2.gz ZMNQUZAHPAHYSU-AATRIKPKSA-N 0 0 284.407 3.484 20 10 CGCDRN C[C@@H]1CCCC[C@@]1(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000837251517 634877381 /nfs/dbraw/zinc/87/73/81/634877381.db2.gz AKQGWMTZZUNHEU-ZVCKQPPJSA-N 0 0 289.375 3.196 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N(C)C2CC(C)(C)C2)cc1 ZINC000837380698 634899553 /nfs/dbraw/zinc/89/95/53/634899553.db2.gz USLCKVCLUQRLLC-UHFFFAOYSA-N 0 0 289.423 3.083 20 10 CGCDRN COc1ccc(Cl)cc1NC(=O)c1cccc(O)c1O ZINC000126209720 634919838 /nfs/dbraw/zinc/91/98/38/634919838.db2.gz IVLUBURIZBQYNH-UHFFFAOYSA-N 0 0 293.706 3.012 20 10 CGCDRN CCC(C)(C)OCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000837543090 634930371 /nfs/dbraw/zinc/93/03/71/634930371.db2.gz SROOLMIJUVWPMV-ZDUSSCGKSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000837543899 634930561 /nfs/dbraw/zinc/93/05/61/634930561.db2.gz YHAMCGGRJJLKOH-CHWSQXEVSA-N 0 0 274.408 3.366 20 10 CGCDRN C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876967715 634939913 /nfs/dbraw/zinc/93/99/13/634939913.db2.gz LRFSDCYIBPGVGE-SNVBAGLBSA-N 0 0 293.313 3.014 20 10 CGCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877074291 634972509 /nfs/dbraw/zinc/97/25/09/634972509.db2.gz FPSXBOYVVQVZRW-DLBZAZTESA-N 0 0 280.371 3.344 20 10 CGCDRN Cc1ccc(CO[C@@H](C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877074518 634972823 /nfs/dbraw/zinc/97/28/23/634972823.db2.gz NAPOWDSNKJMHDT-AWEZNQCLSA-N 0 0 298.386 3.145 20 10 CGCDRN C/C=C(/C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554466 635021994 /nfs/dbraw/zinc/02/19/94/635021994.db2.gz BLJDZHAOESHYNE-VDBIKXPHSA-N 0 0 274.408 3.074 20 10 CGCDRN C/C=C/C=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840558487 635022931 /nfs/dbraw/zinc/02/29/31/635022931.db2.gz YRDCFQQIVAODBA-OIAFRYHCSA-N 0 0 286.419 3.241 20 10 CGCDRN COC1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000840791645 635054113 /nfs/dbraw/zinc/05/41/13/635054113.db2.gz BCISBBFTWUDKED-GCVQQVDUSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877517595 635068999 /nfs/dbraw/zinc/06/89/99/635068999.db2.gz OPDZICAURYXURI-YPMHNXCESA-N 0 0 299.361 3.186 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC[C@@H]1CCO1 ZINC000877529686 635073508 /nfs/dbraw/zinc/07/35/08/635073508.db2.gz LEABVOGGVCSVGI-LLVKDONJSA-N 0 0 290.190 3.358 20 10 CGCDRN Cc1ccc(C(N)=O)cc1NCc1ccc(N(C)C)cc1C ZINC000840924726 635083718 /nfs/dbraw/zinc/08/37/18/635083718.db2.gz AJOQLWVENGYQAQ-UHFFFAOYSA-N 0 0 297.402 3.080 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CS1 ZINC000840958106 635093116 /nfs/dbraw/zinc/09/31/16/635093116.db2.gz IYFUKJIAZKDFMX-GMSGAONNSA-N 0 0 275.776 3.168 20 10 CGCDRN COc1ccc(N(C)Cc2nc(Cl)cs2)cc1 ZINC000877610416 635111278 /nfs/dbraw/zinc/11/12/78/635111278.db2.gz VDTHGLVDBBSNEP-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN C[C@H]1CC2(CCC2)CN1C(=O)Nc1ccc(N)cc1 ZINC000841297343 635148853 /nfs/dbraw/zinc/14/88/53/635148853.db2.gz OWIUHARSRIMIDW-NSHDSACASA-N 0 0 259.353 3.065 20 10 CGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@@H]2CCCC[C@@H]21 ZINC000841295908 635148920 /nfs/dbraw/zinc/14/89/20/635148920.db2.gz JEBJLFPYMLHWHW-KCPJHIHWSA-N 0 0 273.380 3.311 20 10 CGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300373 635149236 /nfs/dbraw/zinc/14/92/36/635149236.db2.gz WDQUYFUMZNPKRY-NEPJUHHUSA-N 0 0 261.369 3.217 20 10 CGCDRN CCOc1ccccc1CN1Cc2cccc(O)c2C1 ZINC000877703744 635155429 /nfs/dbraw/zinc/15/54/29/635155429.db2.gz SBXHRFIBAKSSDH-UHFFFAOYSA-N 0 0 269.344 3.307 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841614599 635197520 /nfs/dbraw/zinc/19/75/20/635197520.db2.gz PLQIRWHJEBYZJH-CYBMUJFWSA-N 0 0 277.412 3.079 20 10 CGCDRN C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757694 635231167 /nfs/dbraw/zinc/23/11/67/635231167.db2.gz PFJRBQNMMFANCW-ZJUUUORDSA-N 0 0 271.788 3.246 20 10 CGCDRN C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757139 635231489 /nfs/dbraw/zinc/23/14/89/635231489.db2.gz MLXGFDWDPGHTIC-MNOVXSKESA-N 0 0 271.788 3.105 20 10 CGCDRN CCc1nc(CN[C@H](C)c2ccc(Cl)cc2O)co1 ZINC000841759303 635233022 /nfs/dbraw/zinc/23/30/22/635233022.db2.gz YJUPMSHDWGIIDO-SECBINFHSA-N 0 0 280.755 3.447 20 10 CGCDRN COc1ccc(C[NH2+][C@H]2CCCC[C@@]2(C)C(=O)[O-])cc1C ZINC000841802818 635236877 /nfs/dbraw/zinc/23/68/77/635236877.db2.gz ASQOPUIETBMLLY-DOTOQJQBSA-N 0 0 291.391 3.127 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841886074 635246306 /nfs/dbraw/zinc/24/63/06/635246306.db2.gz XNZIKUIIZNFFQM-CJNGLKHVSA-N 0 0 289.423 3.079 20 10 CGCDRN COCCCC[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000841894116 635248462 /nfs/dbraw/zinc/24/84/62/635248462.db2.gz NTLUYWKJRRJKSC-UHFFFAOYSA-N 0 0 275.751 3.043 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962453 635252628 /nfs/dbraw/zinc/25/26/28/635252628.db2.gz QABVYLOTAXXZHG-CJNGLKHVSA-N 0 0 289.423 3.031 20 10 CGCDRN CO[C@@H](COc1ccc(N(C)C)cc1)CC(C)C ZINC000842043573 635264313 /nfs/dbraw/zinc/26/43/13/635264313.db2.gz MKHKWDKJSAVYLB-OAHLLOKOSA-N 0 0 251.370 3.193 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000104616820 635272154 /nfs/dbraw/zinc/27/21/54/635272154.db2.gz BOKQRNMOFSCLDO-LRDDRELGSA-N 0 0 297.402 3.408 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCC3(CCC3)O2)cc1OC ZINC000877996348 635312588 /nfs/dbraw/zinc/31/25/88/635312588.db2.gz QYBMUPPNJOPNLG-AWEZNQCLSA-N 0 0 291.391 3.242 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C3CCC3)no2)cc1F ZINC000878186046 635401395 /nfs/dbraw/zinc/40/13/95/635401395.db2.gz GJTNABLUZATFOK-UHFFFAOYSA-N 0 0 291.326 3.121 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000842928961 635514302 /nfs/dbraw/zinc/51/43/02/635514302.db2.gz LCZFFCBVSIBIMD-BREBYQMCSA-N 0 0 269.772 3.264 20 10 CGCDRN CCCC[N@H+](CCc1cnccn1)Cc1ccccc1O ZINC000878565271 635558143 /nfs/dbraw/zinc/55/81/43/635558143.db2.gz KNTMCBVZMGBHDP-UHFFFAOYSA-N 0 0 285.391 3.027 20 10 CGCDRN CC1=C(c2nc(Cc3ccc(N)cc3)no2)CCC1 ZINC000843158695 635587538 /nfs/dbraw/zinc/58/75/38/635587538.db2.gz HCJOZGIPYUUBDW-UHFFFAOYSA-N 0 0 255.321 3.200 20 10 CGCDRN C[C@@H]1CC/C(=C/c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843160117 635588681 /nfs/dbraw/zinc/58/86/81/635588681.db2.gz VQIZTHFBGLSTOR-COVOJHCQSA-N 0 0 269.348 3.446 20 10 CGCDRN CCS[C@@H](C)c1noc(Cc2ccc(N)cc2)n1 ZINC000843192188 635607289 /nfs/dbraw/zinc/60/72/89/635607289.db2.gz SRLKXDJVURDXCF-VIFPVBQESA-N 0 0 263.366 3.057 20 10 CGCDRN CC(C)O[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843414288 635661858 /nfs/dbraw/zinc/66/18/58/635661858.db2.gz ZEKIZSWTMHOCRP-SNVBAGLBSA-N 0 0 287.762 3.184 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843417189 635663167 /nfs/dbraw/zinc/66/31/67/635663167.db2.gz QRNMWEGXXIVPBD-ZFWWWQNUSA-N 0 0 295.810 3.437 20 10 CGCDRN CC[N@H+](CCSC)Cc1cc(Cl)c(F)cc1[O-] ZINC000843437302 635676062 /nfs/dbraw/zinc/67/60/62/635676062.db2.gz AOBILODWZWBNHN-UHFFFAOYSA-N 0 0 277.792 3.370 20 10 CGCDRN CCc1ncsc1NC(=O)N[C@H](C)c1ccccc1O ZINC000878996555 635676903 /nfs/dbraw/zinc/67/69/03/635676903.db2.gz UAZOKKZAKJEOFV-SECBINFHSA-N 0 0 291.376 3.294 20 10 CGCDRN O=C(/C=C\C1CCCC1)NCCCSc1nccs1 ZINC000843795964 635781796 /nfs/dbraw/zinc/78/17/96/635781796.db2.gz HOYAJLFBCXYDTN-SREVYHEPSA-N 0 0 296.461 3.488 20 10 CGCDRN Cc1ccnc(C)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC000879525593 635803643 /nfs/dbraw/zinc/80/36/43/635803643.db2.gz AGCMWZBPMPOAJZ-NSHDSACASA-N 0 0 285.347 3.287 20 10 CGCDRN C[C@@H](NCC(F)(F)Br)c1ccccc1O ZINC000879650168 635826633 /nfs/dbraw/zinc/82/66/33/635826633.db2.gz MSVYWQMQPLFLNG-SSDOTTSWSA-N 0 0 280.112 3.031 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000844353282 635877762 /nfs/dbraw/zinc/87/77/62/635877762.db2.gz KKHJEKHVGIDEAC-MRXNPFEDSA-N 0 0 275.323 3.004 20 10 CGCDRN COc1ccc(N(C)CCCC2CCOCC2)cc1 ZINC000844354890 635878596 /nfs/dbraw/zinc/87/85/96/635878596.db2.gz JVSDWTUCJVRLBX-UHFFFAOYSA-N 0 0 263.381 3.338 20 10 CGCDRN COc1ccc(F)c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000845989232 636127199 /nfs/dbraw/zinc/12/71/99/636127199.db2.gz GGOZVUBGZAYBOE-LLVKDONJSA-N 0 0 275.323 3.391 20 10 CGCDRN CC[C@H]1C[C@H](CN(C)c2ccc(OC)cc2)CCO1 ZINC000845998790 636128209 /nfs/dbraw/zinc/12/82/09/636128209.db2.gz PWVVMSGIAOFJAD-HIFRSBDPSA-N 0 0 263.381 3.337 20 10 CGCDRN CC[C@@H]1C[C@@H](CN(C)c2ccc(OC)cc2)CCO1 ZINC000845998788 636128439 /nfs/dbraw/zinc/12/84/39/636128439.db2.gz PWVVMSGIAOFJAD-DZGCQCFKSA-N 0 0 263.381 3.337 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C(/C)COC ZINC000846092768 636142251 /nfs/dbraw/zinc/14/22/51/636142251.db2.gz AGVCBGZZZMQLJJ-KAMYIIQDSA-N 0 0 291.391 3.114 20 10 CGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C)ccc1O ZINC000846117865 636146909 /nfs/dbraw/zinc/14/69/09/636146909.db2.gz HPKSVACULBJEAH-AWEZNQCLSA-N 0 0 293.407 3.253 20 10 CGCDRN C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000846186747 636156477 /nfs/dbraw/zinc/15/64/77/636156477.db2.gz FTJPVROQYJDRDB-PIGZYNQJSA-N 0 0 293.382 3.387 20 10 CGCDRN COCc1ccnc(N[C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000846212853 636160354 /nfs/dbraw/zinc/16/03/54/636160354.db2.gz PEAMXUZJUBXOKA-SECBINFHSA-N 0 0 294.301 3.385 20 10 CGCDRN C[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474930 636187978 /nfs/dbraw/zinc/18/79/78/636187978.db2.gz CYJJJMIAWMRSEY-GHMZBOCLSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C(C1CC1)C1CC1 ZINC000846475332 636187993 /nfs/dbraw/zinc/18/79/93/636187993.db2.gz GCNKARSLSNGZEJ-UHFFFAOYSA-N 0 0 279.767 3.098 20 10 CGCDRN C[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474942 636188140 /nfs/dbraw/zinc/18/81/40/636188140.db2.gz CYJJJMIAWMRSEY-WDEREUQCSA-N 0 0 281.783 3.488 20 10 CGCDRN COc1ccc(N2CC[C@@H](CNc3nccs3)C2)cc1 ZINC000846752146 636226209 /nfs/dbraw/zinc/22/62/09/636226209.db2.gz DOWWUBOKSVJCGR-LBPRGKRZSA-N 0 0 289.404 3.090 20 10 CGCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC000883017832 636507482 /nfs/dbraw/zinc/50/74/82/636507482.db2.gz COBMCSYVMWACTG-KGLIPLIRSA-N 0 0 297.345 3.108 20 10 CGCDRN CCO[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC000883026942 636510249 /nfs/dbraw/zinc/51/02/49/636510249.db2.gz KJTOLTZCTWHJMZ-AWEZNQCLSA-N 0 0 287.350 3.211 20 10 CGCDRN Cc1cnc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c(C)c1 ZINC000883161995 636559634 /nfs/dbraw/zinc/55/96/34/636559634.db2.gz HEVOTNCSASCUOC-UHFFFAOYSA-N 0 0 292.329 3.015 20 10 CGCDRN CCc1cccc(CNc2cccc3c2OCO3)c1O ZINC000848902055 636682708 /nfs/dbraw/zinc/68/27/08/636682708.db2.gz JEQRCXKXDOROPP-UHFFFAOYSA-N 0 0 271.316 3.295 20 10 CGCDRN CCOC(=O)CC[N@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000848927459 636698482 /nfs/dbraw/zinc/69/84/82/636698482.db2.gz FQEYLLODFOFEPG-UHFFFAOYSA-N 0 0 299.798 3.209 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000883356980 636698553 /nfs/dbraw/zinc/69/85/53/636698553.db2.gz AAZJZROCZMPXRM-JQWIXIFHSA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@@H](O)C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000848928529 636700180 /nfs/dbraw/zinc/70/01/80/636700180.db2.gz GKRNAYWLDGYYLJ-MRVPVSSYSA-N 0 0 290.190 3.044 20 10 CGCDRN Cc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000214622999 636764665 /nfs/dbraw/zinc/76/46/65/636764665.db2.gz KFABJEHFICPFBB-VURMDHGXSA-N 0 0 269.300 3.058 20 10 CGCDRN CCC[C@H](C)CCNC(=O)NCc1cccc(OC)c1O ZINC000883875315 636867063 /nfs/dbraw/zinc/86/70/63/636867063.db2.gz PPKDUMKUUNNUMC-LBPRGKRZSA-N 0 0 294.395 3.026 20 10 CGCDRN Cc1noc(C)c1C(=O)CSc1ncc(Cl)s1 ZINC000850000378 636925029 /nfs/dbraw/zinc/92/50/29/636925029.db2.gz SMYWNINSDVZSBM-UHFFFAOYSA-N 0 0 288.781 3.376 20 10 CGCDRN CCn1nnc(C)c1CSc1ncc(Cl)s1 ZINC000850001056 636925264 /nfs/dbraw/zinc/92/52/64/636925264.db2.gz AECKDADSHPGUDU-UHFFFAOYSA-N 0 0 274.802 3.009 20 10 CGCDRN CC(C)(C)N1CC[C@H](Sc2ncc(Cl)s2)C1=O ZINC000850002311 636926307 /nfs/dbraw/zinc/92/63/07/636926307.db2.gz ZUBXIKUOAAJVOM-ZETCQYMHSA-N 0 0 290.841 3.288 20 10 CGCDRN CC[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000133761769 636975429 /nfs/dbraw/zinc/97/54/29/636975429.db2.gz IOMRFCNDFGOFSG-OAHLLOKOSA-N 0 0 269.344 3.202 20 10 CGCDRN O=C(NCc1ccccc1O)c1coc2ccccc12 ZINC000134614568 637032677 /nfs/dbraw/zinc/03/26/77/637032677.db2.gz PJGULZGTRDSMCE-UHFFFAOYSA-N 0 0 267.284 3.068 20 10 CGCDRN CCc1cc(C)c(C(=O)N(C)Cc2ccccc2O)o1 ZINC000135034415 637069123 /nfs/dbraw/zinc/06/91/23/637069123.db2.gz BBSLJVJNSIQNEY-UHFFFAOYSA-N 0 0 273.332 3.128 20 10 CGCDRN C[C@@H]([NH2+]CC1SCCS1)c1cc(F)cc(F)c1[O-] ZINC000850559470 637122722 /nfs/dbraw/zinc/12/27/22/637122722.db2.gz BQGXFYKCPVNADW-SSDOTTSWSA-N 0 0 291.388 3.127 20 10 CGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)s1 ZINC000136486453 637383784 /nfs/dbraw/zinc/38/37/84/637383784.db2.gz WBEWFSUFGXRBIL-UHFFFAOYSA-N 0 0 297.401 3.180 20 10 CGCDRN CCCN(Cc1ccccc1O)[C@H](C)c1nnc(CC)[nH]1 ZINC000851792914 637505592 /nfs/dbraw/zinc/50/55/92/637505592.db2.gz UITPMUNOGACFOX-GFCCVEGCSA-N 0 0 288.395 3.046 20 10 CGCDRN COc1ccc(N(CCC(OC)OC)C(C)C)cc1F ZINC000851836024 637518105 /nfs/dbraw/zinc/51/81/05/637518105.db2.gz LKURMDAILNNMOS-UHFFFAOYSA-N 0 0 285.359 3.058 20 10 CGCDRN Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886522134 637551144 /nfs/dbraw/zinc/55/11/44/637551144.db2.gz DAXQTEGVDHOYNA-VXGBXAGGSA-N 0 0 291.370 3.023 20 10 CGCDRN CCC(CC)(CCO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886534702 637559787 /nfs/dbraw/zinc/55/97/87/637559787.db2.gz MXWFKYNIYFMQLV-GFCCVEGCSA-N 0 0 283.387 3.371 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1c([O-])cccc1F ZINC000886540875 637564888 /nfs/dbraw/zinc/56/48/88/637564888.db2.gz LZWMWTXRXSOZPT-MEDZGJRSSA-N 0 0 279.355 3.140 20 10 CGCDRN CCOCCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886555611 637580142 /nfs/dbraw/zinc/58/01/42/637580142.db2.gz XDANBWLUPPGGJB-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1c([O-])cccc1F ZINC000886562392 637583280 /nfs/dbraw/zinc/58/32/80/637583280.db2.gz YLPLKFRPPJNTOO-DPDCMNJDSA-N 0 0 291.366 3.140 20 10 CGCDRN C[C@H](N[C@@H](C)C(F)(F)F)c1c(O)cccc1F ZINC000886610851 637602706 /nfs/dbraw/zinc/60/27/06/637602706.db2.gz LZGMIUPCVZQPAJ-BQBZGAKWSA-N 0 0 251.223 3.133 20 10 CGCDRN COCC1(CC[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886616204 637609557 /nfs/dbraw/zinc/60/95/57/637609557.db2.gz WUPZFMYZGBYJQU-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2c([O-])cccc2F)nc1 ZINC000886624136 637614837 /nfs/dbraw/zinc/61/48/37/637614837.db2.gz YFPJLHLMMGDGSU-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN COC1([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886627054 637616258 /nfs/dbraw/zinc/61/62/58/637616258.db2.gz RPRLEVDQCJFSSC-MNOVXSKESA-N 0 0 267.344 3.140 20 10 CGCDRN COCc1noc(Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000853076646 637752370 /nfs/dbraw/zinc/75/23/70/637752370.db2.gz CVHGXIXHWCKQIX-UHFFFAOYSA-N 0 0 297.358 3.214 20 10 CGCDRN Cc1ccc(NC(=O)CN(C)Cc2ccccc2O)c(C)c1 ZINC000111236507 637805508 /nfs/dbraw/zinc/80/55/08/637805508.db2.gz NMLNGZNEAKXAPO-UHFFFAOYSA-N 0 0 298.386 3.080 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1cnc(F)cn1 ZINC000853579210 637869913 /nfs/dbraw/zinc/86/99/13/637869913.db2.gz RFLRGQRIRAUDKE-UHFFFAOYSA-N 0 0 275.327 3.128 20 10 CGCDRN CCOC(=O)c1cnc(Sc2ccncc2C)s1 ZINC000853649898 637881695 /nfs/dbraw/zinc/88/16/95/637881695.db2.gz GZYZLAWJOVLFJM-UHFFFAOYSA-N 0 0 280.374 3.174 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cnc(F)cn1 ZINC000853692141 637893496 /nfs/dbraw/zinc/89/34/96/637893496.db2.gz QIGKCLGRDVIEGM-GFCCVEGCSA-N 0 0 288.370 3.033 20 10 CGCDRN COc1ccc(N(CC2CCOCC2)C(C)C)cc1F ZINC000112697512 638108638 /nfs/dbraw/zinc/10/86/38/638108638.db2.gz YGJSFVMYKOQWKX-UHFFFAOYSA-N 0 0 281.371 3.476 20 10 CGCDRN CCCN(Cc1ccc(N(C)C)cc1)CC(F)F ZINC000112978002 638140866 /nfs/dbraw/zinc/14/08/66/638140866.db2.gz FYOISIGUAOUSQG-UHFFFAOYSA-N 0 0 256.340 3.230 20 10 CGCDRN Cc1cc(F)ccc1C[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000855277645 638163339 /nfs/dbraw/zinc/16/33/39/638163339.db2.gz HDJJCRHHESGSFA-JTQLQIEISA-N 0 0 293.363 3.262 20 10 CGCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000855932258 638280330 /nfs/dbraw/zinc/28/03/30/638280330.db2.gz NNQASPOKIJOGNP-JKOXKOMZSA-N 0 0 289.375 3.148 20 10 CGCDRN COc1ccc(O)c(CNC(=O)CCC2CCCCC2)c1 ZINC000114543805 638375764 /nfs/dbraw/zinc/37/57/64/638375764.db2.gz KWYSXZIAXIOLGM-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CC(CC2CC2)C1 ZINC000857066339 638448582 /nfs/dbraw/zinc/44/85/82/638448582.db2.gz ILXPLKKXSXFCFC-UHFFFAOYSA-N 0 0 251.757 3.278 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccnc(F)c1F ZINC000857226329 638480624 /nfs/dbraw/zinc/48/06/24/638480624.db2.gz KVXQPPDRWTUACA-UHFFFAOYSA-N 0 0 277.318 3.346 20 10 CGCDRN Cc1ccnc(NC(=O)C2=CC(=O)CS2)c1C1CC1 ZINC000857312264 638493424 /nfs/dbraw/zinc/49/34/24/638493424.db2.gz JPDCGTDURNTFGU-UHFFFAOYSA-N 0 0 274.345 3.287 20 10 CGCDRN Cc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115282294 638515135 /nfs/dbraw/zinc/51/51/35/638515135.db2.gz WEDWJNKAJFJSOY-UHFFFAOYSA-N 0 0 282.387 3.299 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(F)cc1F ZINC000857547234 638516996 /nfs/dbraw/zinc/51/69/96/638516996.db2.gz VUTDHSYSNLJBIZ-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN O=C(N[C@@H](C(F)F)C1CCCCC1)c1cccc(O)c1O ZINC000857741920 638562031 /nfs/dbraw/zinc/56/20/31/638562031.db2.gz QKMJQZMVDNDAEL-GFCCVEGCSA-N 0 0 299.317 3.042 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(N)ccn1)c1cc(Cl)ccc1O ZINC000925765358 638601037 /nfs/dbraw/zinc/60/10/37/638601037.db2.gz AVOIEFXRSYIPCK-CQSZACIVSA-N 0 0 291.782 3.264 20 10 CGCDRN COc1cc(N[C@@H](C)c2ccc(C)cc2O)cnc1OC ZINC000858482864 638736340 /nfs/dbraw/zinc/73/63/40/638736340.db2.gz VJXYCZXOLFDJOC-NSHDSACASA-N 0 0 288.347 3.286 20 10 CGCDRN C[C@@H]1C[C@H](Nc2cnn(CCF)c2)c2c1c(F)ccc2O ZINC000858491348 638741493 /nfs/dbraw/zinc/74/14/93/638741493.db2.gz FTQVQIIUAGGZND-SKDRFNHKSA-N 0 0 293.317 3.358 20 10 CGCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)C1CCCC1 ZINC000858520340 638753444 /nfs/dbraw/zinc/75/34/44/638753444.db2.gz GSGNZDFJYOKDOW-HNNXBMFYSA-N 0 0 290.407 3.469 20 10 CGCDRN C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cc(F)cc(F)c1[O-] ZINC000927160046 638848820 /nfs/dbraw/zinc/84/88/20/638848820.db2.gz KOURAWFRMZMAJF-IINYFYTJSA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1c([O-])cccc1F ZINC000927159360 638848898 /nfs/dbraw/zinc/84/88/98/638848898.db2.gz NNIDWWAARIFQBL-FZMZJTMJSA-N 0 0 279.355 3.284 20 10 CGCDRN Nc1ccc(CNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000927767493 638869193 /nfs/dbraw/zinc/86/91/93/638869193.db2.gz FADKILMVIJXKEX-SJORKVTESA-N 0 0 294.398 3.154 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC23CC3)c1 ZINC000859011743 639058927 /nfs/dbraw/zinc/05/89/27/639058927.db2.gz DJQGFVZEDLWTFG-CQSZACIVSA-N 0 0 288.391 3.080 20 10 CGCDRN Cc1nc(C)c(NC(=O)NCc2cc(C)ccc2O)s1 ZINC000860742106 639415515 /nfs/dbraw/zinc/41/55/15/639415515.db2.gz HWHQBWFARMQHEO-UHFFFAOYSA-N 0 0 291.376 3.096 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2c(C)cc(C)nc2C)c1 ZINC000861132584 639520251 /nfs/dbraw/zinc/52/02/51/639520251.db2.gz ZKCDWPYIRKVKKE-UHFFFAOYSA-N 0 0 299.374 3.343 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862026643 639634691 /nfs/dbraw/zinc/63/46/91/639634691.db2.gz VYRFEAXVLHEQHH-IUODEOHRSA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@H]1CC[C@@H](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862027000 639634708 /nfs/dbraw/zinc/63/47/08/639634708.db2.gz GPOMGRXNAJCKKF-QWHCGFSZSA-N 0 0 298.386 3.383 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000934706788 639662882 /nfs/dbraw/zinc/66/28/82/639662882.db2.gz SIPOGQKPAKWQIA-NOAKMGFQSA-N 0 0 299.414 3.423 20 10 CGCDRN C[C@H](NC(=O)[C@]1(C)C=CCC1)c1ccc(N(C)C)cc1 ZINC000935466500 639821026 /nfs/dbraw/zinc/82/10/26/639821026.db2.gz ZBORBMUHFKITNC-SUMWQHHRSA-N 0 0 272.392 3.286 20 10 CGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cccs1 ZINC000043290231 639924627 /nfs/dbraw/zinc/92/46/27/639924627.db2.gz CNVISNDPBMEGKR-LLVKDONJSA-N 0 0 290.388 3.356 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000189462609 640194479 /nfs/dbraw/zinc/19/44/79/640194479.db2.gz DTJAZHOGHGNDKO-UNZKQPITSA-N 0 0 289.375 3.196 20 10 CGCDRN Cc1cccc(CNc2cnn([C@H](C)C3CC3)c2)c1O ZINC000189747490 640205489 /nfs/dbraw/zinc/20/54/89/640205489.db2.gz DXRODYDALDXRGC-GFCCVEGCSA-N 0 0 271.364 3.480 20 10 CGCDRN COc1ccc(N(Cc2cccs2)C[C@H](C)O)cc1 ZINC000192754809 640402076 /nfs/dbraw/zinc/40/20/76/640402076.db2.gz VKQZBFQWNMKQHD-LBPRGKRZSA-N 0 0 277.389 3.144 20 10 CGCDRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nccs1 ZINC000193647771 640482462 /nfs/dbraw/zinc/48/24/62/640482462.db2.gz XKIJOODDLJGFLC-JTQLQIEISA-N 0 0 290.413 3.213 20 10 CGCDRN CCC[C@@H](CC)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195737466 640594022 /nfs/dbraw/zinc/59/40/22/640594022.db2.gz WGWNKMFVWAQYHY-CYBMUJFWSA-N 0 0 295.402 3.270 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000248517222 640765462 /nfs/dbraw/zinc/76/54/62/640765462.db2.gz PFVBSZQSNRYSFM-MGPQQGTHSA-N 0 0 294.414 3.302 20 10 CGCDRN Oc1ccc(-c2nc3c(cc(F)cc3Cl)[nH]2)cc1O ZINC001250464650 805632243 /nfs/dbraw/zinc/63/22/43/805632243.db2.gz HUOAHHWOTWGPOZ-UHFFFAOYSA-N 0 0 278.670 3.434 20 10 CGCDRN Oc1ccc(-c2nc3c(ccc(F)c3Cl)[nH]2)cc1O ZINC001250464694 805632625 /nfs/dbraw/zinc/63/26/25/805632625.db2.gz JDACZDDLDITGKI-UHFFFAOYSA-N 0 0 278.670 3.434 20 10 CGCDRN Cc1cc(C(=O)NCc2c(O)cccc2F)sc1C ZINC001156164077 805660756 /nfs/dbraw/zinc/66/07/56/805660756.db2.gz MFEIJCOXZKOCKX-UHFFFAOYSA-N 0 0 279.336 3.140 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C(C1CCC1)C1CCC1 ZINC001156170191 805661883 /nfs/dbraw/zinc/66/18/83/805661883.db2.gz ILYNPQJCTCEUCX-UHFFFAOYSA-N 0 0 291.366 3.364 20 10 CGCDRN Cc1nc(N(C)Cc2ccc(N(C)C)cc2)ncc1Cl ZINC001156923521 805752656 /nfs/dbraw/zinc/75/26/56/805752656.db2.gz FRBSMDALFRIMGX-UHFFFAOYSA-N 0 0 290.798 3.141 20 10 CGCDRN C/C=C/C=C/C(=O)NCc1c(O)ccc2ccccc21 ZINC001157037734 805768217 /nfs/dbraw/zinc/76/82/17/805768217.db2.gz XDEQVMJSSWSYCQ-DSXPNFDZSA-N 0 0 267.328 3.294 20 10 CGCDRN Cc1ccc(C(=O)Nc2c[nH]c3ccccc23)c(O)c1O ZINC001157066581 805772429 /nfs/dbraw/zinc/77/24/29/805772429.db2.gz GNSHRWIHFJOJNQ-UHFFFAOYSA-N 0 0 282.299 3.140 20 10 CGCDRN Cc1ccc2[nH]c(-c3cc(O)c(O)cc3O)nc2c1Cl ZINC001251355534 805885843 /nfs/dbraw/zinc/88/58/43/805885843.db2.gz QVJLPOAVLKINAG-UHFFFAOYSA-N 0 0 290.706 3.309 20 10 CGCDRN CC(C)(O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001252363682 806044031 /nfs/dbraw/zinc/04/40/31/806044031.db2.gz WQLKRTBEQIMNBT-UHFFFAOYSA-N 0 0 267.328 3.081 20 10 CGCDRN COC(=O)c1scc(C)c1Nc1ccc(N)cc1 ZINC001159144818 806052521 /nfs/dbraw/zinc/05/25/21/806052521.db2.gz LCAWMTGOTAFHHW-UHFFFAOYSA-N 0 0 262.334 3.169 20 10 CGCDRN COc1ncc(Br)cc1Nc1ccc(N)cc1 ZINC001159167050 806054652 /nfs/dbraw/zinc/05/46/52/806054652.db2.gz ICYDAJRGPPRTAR-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN COC(=O)c1cccc2c(Nc3ccc(N)cc3)ccnc12 ZINC001159314194 806079687 /nfs/dbraw/zinc/07/96/87/806079687.db2.gz PWHUXZIVXYDMRZ-UHFFFAOYSA-N 0 0 293.326 3.347 20 10 CGCDRN COc1nccc(Nc2ccc3c(c2)CCCN3)c1F ZINC001159372087 806088050 /nfs/dbraw/zinc/08/80/50/806088050.db2.gz OLTKBIBRAVHILG-UHFFFAOYSA-N 0 0 273.311 3.331 20 10 CGCDRN CCOC(=O)c1ccc(Nc2ccc(N)cc2)c(OC)c1 ZINC001159485756 806112086 /nfs/dbraw/zinc/11/20/86/806112086.db2.gz QOVWZWXOEHWVNP-UHFFFAOYSA-N 0 0 286.331 3.198 20 10 CGCDRN c1cnn(-c2cccc(Nc3ccc4c(c3)CCCN4)c2)n1 ZINC001159741624 806164831 /nfs/dbraw/zinc/16/48/31/806164831.db2.gz LNXNDHQUXLKQFZ-UHFFFAOYSA-N 0 0 291.358 3.369 20 10 CGCDRN Nc1ccc(Nc2cccc(Br)c2N)cc1 ZINC001159863587 806188358 /nfs/dbraw/zinc/18/83/58/806188358.db2.gz KHPVRNLPJBACIQ-UHFFFAOYSA-N 0 0 278.153 3.357 20 10 CGCDRN Cc1ccnnc1NCc1cc2ccccc2cc1O ZINC001160206863 806234719 /nfs/dbraw/zinc/23/47/19/806234719.db2.gz MOOCVJHUXCWQGG-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN Nc1ccc(Nc2ccc(N)c(Br)c2)cc1 ZINC001160376598 806262897 /nfs/dbraw/zinc/26/28/97/806262897.db2.gz WPYGGFUNLNYQJI-UHFFFAOYSA-N 0 0 278.153 3.357 20 10 CGCDRN Nc1ccc(CCn2cc(CC3CCCCC3)nn2)cc1 ZINC001254081633 806339120 /nfs/dbraw/zinc/33/91/20/806339120.db2.gz XYJIQDQWVZCHHA-UHFFFAOYSA-N 0 0 284.407 3.226 20 10 CGCDRN CCC[C@@H](C)CCNC(=O)NCc1ccc(OC)cc1O ZINC001254805195 806490486 /nfs/dbraw/zinc/49/04/86/806490486.db2.gz FABNMFIJNSIQQV-GFCCVEGCSA-N 0 0 294.395 3.026 20 10 CGCDRN Nc1ccc(CNc2ccc(-c3ccccc3)nn2)cc1 ZINC001162784502 806664472 /nfs/dbraw/zinc/66/44/72/806664472.db2.gz PISVYDASPWSCCF-UHFFFAOYSA-N 0 0 276.343 3.338 20 10 CGCDRN CCc1c(Cl)nnc(NCc2ccc(N)cc2)c1CC ZINC001162785889 806665616 /nfs/dbraw/zinc/66/56/16/806665616.db2.gz NMJUDBKRAWPTLS-UHFFFAOYSA-N 0 0 290.798 3.449 20 10 CGCDRN Cc1ccc2nc(NCc3ccc(N)cc3)ncc2c1 ZINC001162786488 806665727 /nfs/dbraw/zinc/66/57/27/806665727.db2.gz YBLYMWMZJUZUQE-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN COc1ncccc1NCc1cc(Cl)ccc1O ZINC000037070726 798857597 /nfs/dbraw/zinc/85/75/97/798857597.db2.gz ZZFXAJZEAZEFPH-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN Cc1cc(Nc2ccc(N)cc2)ncc1Br ZINC000163921565 799083156 /nfs/dbraw/zinc/08/31/56/799083156.db2.gz CXPOBSMYBLGVER-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000311842323 799225861 /nfs/dbraw/zinc/22/58/61/799225861.db2.gz ULLZPGVBSPQLSU-NSHDSACASA-N 0 0 269.360 3.245 20 10 CGCDRN CC[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000378822906 799343260 /nfs/dbraw/zinc/34/32/60/799343260.db2.gz NRSMWYKMCVGQJT-CYBMUJFWSA-N 0 0 290.190 3.358 20 10 CGCDRN O=C(NCc1ccccc1O)c1csc(Cl)c1 ZINC000383228953 799401309 /nfs/dbraw/zinc/40/13/09/799401309.db2.gz BAGODZBJQYGBGI-UHFFFAOYSA-N 0 0 267.737 3.037 20 10 CGCDRN COc1ccc(/C=C/C(=O)N(C)Cc2ccccc2O)cc1 ZINC000395071382 799501616 /nfs/dbraw/zinc/50/16/16/799501616.db2.gz VVKWPNOJQZRSKT-FMIVXFBMSA-N 0 0 297.354 3.073 20 10 CGCDRN COc1ccc(/C=C\C(=O)N(C)Cc2ccccc2O)cc1 ZINC000395071385 799502202 /nfs/dbraw/zinc/50/22/02/799502202.db2.gz VVKWPNOJQZRSKT-XFXZXTDPSA-N 0 0 297.354 3.073 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1O ZINC000397911975 799523046 /nfs/dbraw/zinc/52/30/46/799523046.db2.gz BIXCFQPBQPSBDI-MDZLAQPJSA-N 0 0 251.395 3.327 20 10 CGCDRN CC[C@@H]1C[NH+](Cc2cccc(Cl)c2[O-])C[C@@H](CC)O1 ZINC000398721958 799533329 /nfs/dbraw/zinc/53/33/29/799533329.db2.gz IXENKDJRQLALBD-CHWSQXEVSA-N 0 0 283.799 3.435 20 10 CGCDRN Cc1cccc2c1CCN2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405570 799688676 /nfs/dbraw/zinc/68/86/76/799688676.db2.gz LECSTYFHHRJKQU-VURMDHGXSA-N 0 0 295.338 3.009 20 10 CGCDRN CC(C)CC[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403199 799689280 /nfs/dbraw/zinc/68/92/80/799689280.db2.gz BQMNTABROXGDCO-UPZNUWHASA-N 0 0 277.364 3.052 20 10 CGCDRN CCc1ccc(O)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407611 799690158 /nfs/dbraw/zinc/69/01/58/799690158.db2.gz MCQLNZHIGCCHRI-YVMONPNESA-N 0 0 299.326 3.018 20 10 CGCDRN CCCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701666306 799891051 /nfs/dbraw/zinc/89/10/51/799891051.db2.gz TZAYPQSQKGHTLQ-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN CCc1sc(C(=O)N(C)c2ccc(N)cc2)cc1C ZINC000702087061 799903668 /nfs/dbraw/zinc/90/36/68/799903668.db2.gz PJUHXSIDTSGXAK-UHFFFAOYSA-N 0 0 274.389 3.478 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H](C2CC2)C2CCC2)ccc(F)c1F ZINC000703293317 799921927 /nfs/dbraw/zinc/92/19/27/799921927.db2.gz BPTVJBDMMJGZKX-CQSZACIVSA-N 0 0 267.319 3.339 20 10 CGCDRN CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703489607 799924246 /nfs/dbraw/zinc/92/42/46/799924246.db2.gz GQVULSLCWAVOQX-LBPRGKRZSA-N 0 0 285.334 3.061 20 10 CGCDRN C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417078 799924485 /nfs/dbraw/zinc/92/44/85/799924485.db2.gz HVIFPQLFTXMNFM-LURJTMIESA-N 0 0 269.213 3.101 20 10 CGCDRN [O-]c1c(C[NH+]2CCC(C(F)(F)F)CC2)ccc(F)c1F ZINC000703528166 799925403 /nfs/dbraw/zinc/92/54/03/799925403.db2.gz FEBJGUNCZMFCJC-UHFFFAOYSA-N 0 0 295.251 3.445 20 10 CGCDRN Oc1cccc(Br)c1CN1CCC[C@H](F)C1 ZINC000707155905 799973266 /nfs/dbraw/zinc/97/32/66/799973266.db2.gz RGHUOSQCVJDPAQ-VIFPVBQESA-N 0 0 288.160 3.089 20 10 CGCDRN CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708555517 799991809 /nfs/dbraw/zinc/99/18/09/799991809.db2.gz NZEWQSDSJPIONH-CHWSQXEVSA-N 0 0 287.375 3.434 20 10 CGCDRN C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(F)cc1[O-] ZINC000719582790 800244833 /nfs/dbraw/zinc/24/48/33/800244833.db2.gz MPWKASRGEHOJKY-SECBINFHSA-N 0 0 292.379 3.327 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC1CC=CC1 ZINC000724192735 800357108 /nfs/dbraw/zinc/35/71/08/800357108.db2.gz MIQRYBNNYUJRPW-UHFFFAOYSA-N 0 0 253.292 3.116 20 10 CGCDRN CCc1ncc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC001120357035 802741550 /nfs/dbraw/zinc/74/15/50/802741550.db2.gz OYOMCKVXZPOTKL-UHFFFAOYSA-N 0 0 282.391 3.251 20 10 CGCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(N)cc1 ZINC001122538386 802874994 /nfs/dbraw/zinc/87/49/94/802874994.db2.gz FGBATZNSKAEWFW-UHFFFAOYSA-N 0 0 286.375 3.398 20 10 CGCDRN COC(=O)c1cc2ccc(-c3cnc(F)cc3C)cc2n1C ZINC001243759389 802985505 /nfs/dbraw/zinc/98/55/05/802985505.db2.gz FSUIAAYAFHNKQO-UHFFFAOYSA-N 0 0 298.317 3.474 20 10 CGCDRN CO[C@H]1CC=C(c2ccc(N3CCOCC3)cc2F)CC1 ZINC001243804407 803020330 /nfs/dbraw/zinc/02/03/30/803020330.db2.gz CIQIJIBKJDUEMA-HNNXBMFYSA-N 0 0 291.366 3.245 20 10 CGCDRN COc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1C ZINC001137008167 803671592 /nfs/dbraw/zinc/67/15/92/803671592.db2.gz RLKMMCNEERGJAW-UHFFFAOYSA-N 0 0 299.418 3.097 20 10 CGCDRN Oc1cccc2c1CN(Cc1ncc(Cl)s1)CC2 ZINC001137111854 803684395 /nfs/dbraw/zinc/68/43/95/803684395.db2.gz LYSINCVVXKXULZ-UHFFFAOYSA-N 0 0 280.780 3.060 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137831909 803778187 /nfs/dbraw/zinc/77/81/87/803778187.db2.gz RWJDBKWYFGXNIW-SECBINFHSA-N 0 0 259.271 3.008 20 10 CGCDRN COc1ccccc1CN(C)Cc1c(O)cccc1F ZINC001137837667 803780179 /nfs/dbraw/zinc/78/01/79/803780179.db2.gz QIAAJNFAJLIMOJ-UHFFFAOYSA-N 0 0 275.323 3.172 20 10 CGCDRN C[C@H]1c2cccn2CCN1Cc1ccc2c(c1)CCCN2C ZINC001138356537 803901056 /nfs/dbraw/zinc/90/10/56/803901056.db2.gz QQRJQKGCUOITRE-HNNXBMFYSA-N 0 0 295.430 3.447 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001139683053 804251394 /nfs/dbraw/zinc/25/13/94/804251394.db2.gz HELHMEVUTRCUEB-LLVKDONJSA-N 0 0 290.313 3.055 20 10 CGCDRN C[C@@H]1CCCC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685676 804252638 /nfs/dbraw/zinc/25/26/38/804252638.db2.gz SJUYMDGXNWQJIZ-SNVBAGLBSA-N 0 0 255.308 3.292 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CC2(C1)CCCCC2 ZINC001139686151 804254604 /nfs/dbraw/zinc/25/46/04/804254604.db2.gz PJKYWCULAHBBKF-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN CN(Cc1nccs1)Cc1ccc(Cl)cc1O ZINC001140465039 804444005 /nfs/dbraw/zinc/44/40/05/804444005.db2.gz FWQKISNKRHRSEL-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN Cc1snnc1-c1nc(-c2cccc(Cl)c2F)no1 ZINC001212405121 815020622 /nfs/dbraw/zinc/02/06/22/815020622.db2.gz IMHWMFFXEWABCB-UHFFFAOYSA-N 0 0 296.714 3.356 20 10 CGCDRN CC[C@@H](CO)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965647 807019072 /nfs/dbraw/zinc/01/90/72/807019072.db2.gz GSUMYLPMEOWHJK-LBPRGKRZSA-N 0 0 283.331 3.013 20 10 CGCDRN CC/C=C(\F)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001142419446 804722580 /nfs/dbraw/zinc/72/25/80/804722580.db2.gz RSMUGBFLLAZIHZ-BWADBZPLSA-N 0 0 292.398 3.372 20 10 CGCDRN CC(C)C1(C(=O)N2CCc3cccc(O)c3C2)CCC1 ZINC001142651197 804747468 /nfs/dbraw/zinc/74/74/68/804747468.db2.gz PJINGUOTFVJJFZ-UHFFFAOYSA-N 0 0 273.376 3.103 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cccc3cc[nH]c32)c1 ZINC001147957284 805157762 /nfs/dbraw/zinc/15/77/62/805157762.db2.gz PPOQHLSWWUZPHO-UHFFFAOYSA-N 0 0 280.327 3.112 20 10 CGCDRN CC(=O)c1cccc(O)c1Nc1ccncc1C(F)(F)F ZINC001249593932 805185247 /nfs/dbraw/zinc/18/52/47/805185247.db2.gz SZACEFXAGMLXBC-UHFFFAOYSA-N 0 0 296.248 3.174 20 10 CGCDRN Cc1ccc2[nH]c(N(CCO)c3ccc(N)cc3)cc2c1 ZINC001249845273 805259625 /nfs/dbraw/zinc/25/96/25/805259625.db2.gz UGLRCQPJWYEKGK-UHFFFAOYSA-N 0 0 281.359 3.189 20 10 CGCDRN Cc1cccc2[nH]c(C(=O)NCc3ccccc3O)cc21 ZINC001151079721 805282279 /nfs/dbraw/zinc/28/22/79/805282279.db2.gz XPKKJQLQDODACW-UHFFFAOYSA-N 0 0 280.327 3.112 20 10 CGCDRN C[C@@H](NC(=O)c1cnc2ccsc2c1)c1ccccc1O ZINC001151885803 805319463 /nfs/dbraw/zinc/31/94/63/805319463.db2.gz IIXUJZFASWKOKW-SNVBAGLBSA-N 0 0 298.367 3.493 20 10 CGCDRN Cc1cccc(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001152574282 805354828 /nfs/dbraw/zinc/35/48/28/805354828.db2.gz SKWPELINDFSWMO-UHFFFAOYSA-N 0 0 267.328 3.165 20 10 CGCDRN CCOc1nccc(N(C)c2ccc(N)cc2)c1Cl ZINC001250249758 805520089 /nfs/dbraw/zinc/52/00/89/805520089.db2.gz PMOQRLUKLXFUNT-UHFFFAOYSA-N 0 0 277.755 3.484 20 10 CGCDRN Cc1cc(C)c(NCCc2cc(O)c(O)cc2O)c(C)c1 ZINC001168008628 807298984 /nfs/dbraw/zinc/29/89/84/807298984.db2.gz CHWGNTVNOILEQN-UHFFFAOYSA-N 0 0 287.359 3.383 20 10 CGCDRN CCc1ccc(F)c(NCCc2cc(O)c(O)cc2O)c1 ZINC001168014233 807300679 /nfs/dbraw/zinc/30/06/79/807300679.db2.gz QKUKRWPNQKTIQY-UHFFFAOYSA-N 0 0 291.322 3.160 20 10 CGCDRN CC(C)CCc1nnc(/C=C/c2ccc(O)c(O)c2)o1 ZINC001258295238 807401759 /nfs/dbraw/zinc/40/17/59/807401759.db2.gz LCRQCCKUXVBTSC-VMPITWQZSA-N 0 0 274.320 3.240 20 10 CGCDRN Oc1ccc(NCc2ccccc2-n2cccn2)cc1 ZINC001168975130 807545081 /nfs/dbraw/zinc/54/50/81/807545081.db2.gz SBKKBBZZWNCNOP-UHFFFAOYSA-N 0 0 265.316 3.190 20 10 CGCDRN Oc1ccc(CNc2cc(-c3ccncc3)ccn2)cc1O ZINC001169992776 807735548 /nfs/dbraw/zinc/73/55/48/807735548.db2.gz FIOAXRYKAZQQMW-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN CNc1cccc(NCc2ccc(O)c(O)c2)c1C ZINC001169997207 807736443 /nfs/dbraw/zinc/73/64/43/807736443.db2.gz PUDBPCYSPHNPLU-UHFFFAOYSA-N 0 0 258.321 3.060 20 10 CGCDRN CNc1ccccc1NCc1ccnc(-c2cnn(C)c2)c1 ZINC001170124660 807768598 /nfs/dbraw/zinc/76/85/98/807768598.db2.gz BOBSOWORTUOFQC-UHFFFAOYSA-N 0 0 293.374 3.136 20 10 CGCDRN Cc1ccc(C)c(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170314574 807824228 /nfs/dbraw/zinc/82/42/28/807824228.db2.gz FGQKIAACGHHKRN-UHFFFAOYSA-N 0 0 271.316 3.009 20 10 CGCDRN Cc1ccc2[nH]ccc2c1NCC(=O)c1ccc(O)c(O)c1 ZINC001170315380 807825447 /nfs/dbraw/zinc/82/54/47/807825447.db2.gz WQVCWCMHMGRLLJ-UHFFFAOYSA-N 0 0 296.326 3.182 20 10 CGCDRN C[C@H]1CN(Cc2ccc(N)cc2)[C@@H](c2ccccc2)CO1 ZINC001262488211 807867548 /nfs/dbraw/zinc/86/75/48/807867548.db2.gz UTDHFUBQQHAGQF-KBXCAEBGSA-N 0 0 282.387 3.231 20 10 CGCDRN CC1(C)CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262580329 807872149 /nfs/dbraw/zinc/87/21/49/807872149.db2.gz NWOPSFDFAAMYCA-AWEZNQCLSA-N 0 0 275.396 3.037 20 10 CGCDRN COc1cc(C)c(NCc2cc3ccccc3cc2O)nn1 ZINC001171400733 808046445 /nfs/dbraw/zinc/04/64/45/808046445.db2.gz YWZRKDWXUOTORP-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001264286985 808055457 /nfs/dbraw/zinc/05/54/57/808055457.db2.gz GAKZTJBCPRYXON-BENRWUELSA-N 0 0 297.314 3.056 20 10 CGCDRN CCc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1O ZINC001171723689 808125486 /nfs/dbraw/zinc/12/54/86/808125486.db2.gz XKZIAZRLJBCQSP-LLVKDONJSA-N 0 0 285.343 3.151 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(-c2ncc[nH]2)cc1 ZINC001213091049 815231315 /nfs/dbraw/zinc/23/13/15/815231315.db2.gz TWFKHMXWJDYVSE-UHFFFAOYSA-N 0 0 264.332 3.427 20 10 CGCDRN COc1cccc(N(C)c2ccc(N)cc2)c1OC ZINC001174018864 808825956 /nfs/dbraw/zinc/82/59/56/808825956.db2.gz MEHJCQATGZBDPG-UHFFFAOYSA-N 0 0 258.321 3.054 20 10 CGCDRN CC(C)(C)c1ccc(O)c(Nc2ccncc2F)c1 ZINC001175200677 809306015 /nfs/dbraw/zinc/30/60/15/809306015.db2.gz LRTVDCYBDIFHHO-UHFFFAOYSA-N 0 0 260.312 3.389 20 10 CGCDRN Oc1c(Nc2ccncc2F)cccc1C(F)(F)F ZINC001175207274 809307893 /nfs/dbraw/zinc/30/78/93/809307893.db2.gz MVWZQBGFDNXWTA-UHFFFAOYSA-N 0 0 272.201 3.111 20 10 CGCDRN Cc1nnc(-c2cccc(N(C)c3ccc(N)cc3)c2)o1 ZINC001175996486 809594923 /nfs/dbraw/zinc/59/49/23/809594923.db2.gz RUMMIYPJEIWQNC-UHFFFAOYSA-N 0 0 280.331 3.395 20 10 CGCDRN CSc1cc(C(=O)N[C@@H](C)c2ccccc2O)co1 ZINC001302538136 809596840 /nfs/dbraw/zinc/59/68/40/809596840.db2.gz IBXQXDCMOKBBEK-VIFPVBQESA-N 0 0 277.345 3.198 20 10 CGCDRN O=C(CCCC1CCCC1)NCc1cc(O)ccc1O ZINC001303225271 809606148 /nfs/dbraw/zinc/60/61/48/809606148.db2.gz DTZZRTCPZIRXGA-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN Oc1cccc(Nc2ccnn2Cc2ccccc2)c1O ZINC001176705611 809745433 /nfs/dbraw/zinc/74/54/33/809745433.db2.gz JGXCGESEYHXIQR-UHFFFAOYSA-N 0 0 281.315 3.086 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc(Cl)cc2)cc1 ZINC001176726759 809751994 /nfs/dbraw/zinc/75/19/94/809751994.db2.gz UMZCKUGHAPIELI-UHFFFAOYSA-N 0 0 262.740 3.053 20 10 CGCDRN C[N@H+](Cc1cccs1)Cc1ccc(F)c(F)c1[O-] ZINC001179892502 809955257 /nfs/dbraw/zinc/95/52/57/809955257.db2.gz JRAUNFXYVYHYRR-UHFFFAOYSA-N 0 0 269.316 3.364 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(N(C)C)cc2)C2(CC2)C1 ZINC001180126069 809975872 /nfs/dbraw/zinc/97/58/72/809975872.db2.gz CINDTQRQIWYIHL-MRZGDXHCSA-N 0 0 284.403 3.167 20 10 CGCDRN O=C([C@@H]1CC12CCCCC2)N1CCc2cccc(O)c2C1 ZINC001181907779 810082793 /nfs/dbraw/zinc/08/27/93/810082793.db2.gz CLEORPXVJKAAMJ-HNNXBMFYSA-N 0 0 285.387 3.247 20 10 CGCDRN COc1ccc(N(C)C[C@H]2C[C@@]2(C)Br)cc1 ZINC001182734116 810122220 /nfs/dbraw/zinc/12/22/20/810122220.db2.gz NEXUOIFALWBUAF-ZWNOBZJWSA-N 0 0 284.197 3.305 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(F)c(OC)c2)cc1 ZINC001182734471 810122321 /nfs/dbraw/zinc/12/23/21/810122321.db2.gz VXPOLLVFXMAHAA-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN CC(C)C([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC001184338855 810194193 /nfs/dbraw/zinc/19/41/93/810194193.db2.gz NRHMQRJJSDCDLJ-UHFFFAOYSA-N 0 0 257.324 3.441 20 10 CGCDRN Cc1cc(N2Cc3cccc(O)c3C2)c(F)cc1[N+](=O)[O-] ZINC001187403953 810398458 /nfs/dbraw/zinc/39/84/58/810398458.db2.gz GEMWUKQNMAFUON-UHFFFAOYSA-N 0 0 288.278 3.268 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ccc[nH]1 ZINC001188582475 810490813 /nfs/dbraw/zinc/49/08/13/810490813.db2.gz VWQFPKXSIOZHCL-INIZCTEOSA-N 0 0 298.386 3.391 20 10 CGCDRN Cc1cccc(C)c1C(=O)N1CCc2cccc(O)c2C1 ZINC001189057114 810540390 /nfs/dbraw/zinc/54/03/90/810540390.db2.gz DYJBBVSFLXFFNV-UHFFFAOYSA-N 0 0 281.355 3.208 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)nnc1C ZINC001192313299 810785345 /nfs/dbraw/zinc/78/53/45/810785345.db2.gz COPGCDUHFCEWQL-UHFFFAOYSA-N 0 0 297.402 3.445 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ns2)c(OC)c1 ZINC001192390817 810794465 /nfs/dbraw/zinc/79/44/65/810794465.db2.gz OWUKHESMHMXAKF-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN CSc1ccc(C(=O)NCc2ccccc2O)s1 ZINC001192650572 810813312 /nfs/dbraw/zinc/81/33/12/810813312.db2.gz XZXAZLMJFRHGEW-UHFFFAOYSA-N 0 0 279.386 3.106 20 10 CGCDRN Cc1sccc1C(=O)NCc1c(C)cc(C)cc1O ZINC001193386302 810882549 /nfs/dbraw/zinc/88/25/49/810882549.db2.gz IZVDTWKZJYMACE-UHFFFAOYSA-N 0 0 275.373 3.309 20 10 CGCDRN CC(C)C[C@H](C)OC(=O)N1Cc2cccc(O)c2C1 ZINC001193958970 810987044 /nfs/dbraw/zinc/98/70/44/810987044.db2.gz GTDRDZVEYHAIAN-NSHDSACASA-N 0 0 263.337 3.279 20 10 CGCDRN CC[C@@H](C)COC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001194792382 811134631 /nfs/dbraw/zinc/13/46/31/811134631.db2.gz HYZKLIWUFCIUQB-LLVKDONJSA-N 0 0 293.363 3.029 20 10 CGCDRN CC[C@H](C)COC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001194792383 811135090 /nfs/dbraw/zinc/13/50/90/811135090.db2.gz HYZKLIWUFCIUQB-NSHDSACASA-N 0 0 293.363 3.029 20 10 CGCDRN Cc1cccc(NC(=S)NCc2cccc3ccnn32)c1 ZINC001198704189 811536884 /nfs/dbraw/zinc/53/68/84/811536884.db2.gz UEJMBUXRLZBOLA-UHFFFAOYSA-N 0 0 296.399 3.129 20 10 CGCDRN CCCCCNC(=S)N[C@@H](C)c1ccccc1O ZINC001200060173 811633137 /nfs/dbraw/zinc/63/31/37/811633137.db2.gz USPGIXXFWBQGOJ-NSHDSACASA-N 0 0 266.410 3.108 20 10 CGCDRN CC[C@H](C)CNC(=S)N(C)Cc1ccc(N(C)C)cc1 ZINC001200256260 811656052 /nfs/dbraw/zinc/65/60/52/811656052.db2.gz AZZGQCAPOSUHKU-ZDUSSCGKSA-N 0 0 293.480 3.105 20 10 CGCDRN CC(C)Nc1ccc(Nc2cccc(CC(N)=O)c2)cc1 ZINC001201497800 811867360 /nfs/dbraw/zinc/86/73/60/811867360.db2.gz LQQVKNBMZZDQHM-UHFFFAOYSA-N 0 0 283.375 3.278 20 10 CGCDRN CCOc1ccc(-c2noc(-c3cccc(O)c3O)n2)cc1 ZINC001215145688 815488595 /nfs/dbraw/zinc/48/85/95/815488595.db2.gz CEAUNCVGQJGOEK-UHFFFAOYSA-N 0 0 298.298 3.214 20 10 CGCDRN CC(=O)c1ccccc1-c1noc(-c2cccc(O)c2O)n1 ZINC001215145704 815489191 /nfs/dbraw/zinc/48/91/91/815489191.db2.gz CYGOFNGEKPYOMU-UHFFFAOYSA-N 0 0 296.282 3.017 20 10 CGCDRN CCCNC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001202603271 812132955 /nfs/dbraw/zinc/13/29/55/812132955.db2.gz KLGYPZDRWZPIDY-HNNXBMFYSA-N 0 0 290.407 3.342 20 10 CGCDRN Cc1cccc(-c2noc(-c3ccc(O)c(O)c3)n2)c1F ZINC001215304401 815505310 /nfs/dbraw/zinc/50/53/10/815505310.db2.gz MOLYSXICGXLQDK-UHFFFAOYSA-N 0 0 286.262 3.262 20 10 CGCDRN COc1ccc(N(C2=CCOC2)c2ccc(N)cc2)cc1 ZINC001203390904 812339393 /nfs/dbraw/zinc/33/93/93/812339393.db2.gz LQTNZPSREGPQRZ-UHFFFAOYSA-N 0 0 282.343 3.330 20 10 CGCDRN CC[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1O ZINC001203560556 812393424 /nfs/dbraw/zinc/39/34/24/812393424.db2.gz CNUQPAXRRAPTDN-UHFFFAOYSA-N 0 0 285.387 3.465 20 10 CGCDRN COc1cccc(F)c1CNCc1c(O)cccc1Cl ZINC001203856472 812475097 /nfs/dbraw/zinc/47/50/97/812475097.db2.gz JXVAJYLRCKCVAA-UHFFFAOYSA-N 0 0 295.741 3.483 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc2n[nH]cc2c(F)c1 ZINC001215558215 815535252 /nfs/dbraw/zinc/53/52/52/815535252.db2.gz LQAQLPPLHKMOQZ-UHFFFAOYSA-N 0 0 256.284 3.052 20 10 CGCDRN COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(O)cc1O ZINC001204280692 812593762 /nfs/dbraw/zinc/59/37/62/812593762.db2.gz MRCLSWJCIFHRNV-LBPRGKRZSA-N 0 0 287.359 3.299 20 10 CGCDRN Oc1ccc(CN2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC001204279548 812593792 /nfs/dbraw/zinc/59/37/92/812593792.db2.gz AWFUFCDQDQYGIE-UHFFFAOYSA-N 0 0 275.735 3.267 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(CN2CC(F)C2)cc1 ZINC001209517812 814071281 /nfs/dbraw/zinc/07/12/81/814071281.db2.gz GVJPDYXFXRKRIM-UHFFFAOYSA-N 0 0 258.340 3.248 20 10 CGCDRN Cc1cc(Nc2ccc3c(c2)OCCN3)ccc1O ZINC001209766838 814135056 /nfs/dbraw/zinc/13/50/56/814135056.db2.gz XIIYPDYNLFHLEC-UHFFFAOYSA-N 0 0 256.305 3.249 20 10 CGCDRN COc1cccc(C(C)=O)c1Nc1ccc2c(c1)OCCN2 ZINC001209788092 814139664 /nfs/dbraw/zinc/13/96/64/814139664.db2.gz DQQRMMNRAYIFFZ-UHFFFAOYSA-N 0 0 298.342 3.446 20 10 CGCDRN OCc1c(F)cc(F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209792840 814140835 /nfs/dbraw/zinc/14/08/35/814140835.db2.gz VJIBFOJIRUQHNI-UHFFFAOYSA-N 0 0 292.285 3.005 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)c2ccnnc2)cc1 ZINC001209961465 814215499 /nfs/dbraw/zinc/21/54/99/814215499.db2.gz QEXUFYWVKNWHDI-UHFFFAOYSA-N 0 0 276.343 3.397 20 10 CGCDRN Cn1ccc2c1nccc2-c1ccccc1-n1cccn1 ZINC001242712947 823109232 /nfs/dbraw/zinc/10/92/32/823109232.db2.gz NJCXPGWKJGXQCT-UHFFFAOYSA-N 0 0 274.327 3.426 20 10 CGCDRN CCOc1ccc(F)c(Nc2cccc(O)c2O)c1 ZINC001211052372 814724191 /nfs/dbraw/zinc/72/41/91/814724191.db2.gz PWVKXSAVCNQQAH-UHFFFAOYSA-N 0 0 263.268 3.379 20 10 CGCDRN Oc1cccc(Cl)c1Nc1ccnc2cccnc21 ZINC001215983029 815650319 /nfs/dbraw/zinc/65/03/19/815650319.db2.gz KURSCRJIRFIWCB-UHFFFAOYSA-N 0 0 271.707 3.154 20 10 CGCDRN O=C1C[C@@H](Oc2ccc(/N=N/c3ccccc3)cc2)CN1 ZINC001218338734 816171789 /nfs/dbraw/zinc/17/17/89/816171789.db2.gz JEHBLZSDTCFLHP-AMGRQBIBSA-N 0 0 281.315 3.369 20 10 CGCDRN COc1ncc(-c2ccn(CC(C)C)c(=O)c2)cc1Cl ZINC001242934400 823178575 /nfs/dbraw/zinc/17/85/75/823178575.db2.gz WTWLHIFCJYNPLM-UHFFFAOYSA-N 0 0 292.766 3.228 20 10 CGCDRN COc1ncc(-c2ccnc3c2ccn3C)cc1Cl ZINC001242934178 823178632 /nfs/dbraw/zinc/17/86/32/823178632.db2.gz PVBLAFXWUJBFCO-UHFFFAOYSA-N 0 0 273.723 3.297 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccc(F)c3cnccc23)cc1 ZINC001219199482 816266184 /nfs/dbraw/zinc/26/61/84/816266184.db2.gz LDQRTISWUNRAFM-UHFFFAOYSA-N 0 0 295.317 3.137 20 10 CGCDRN Cc1cc(NC(=O)Cc2ccc(N)cc2)cc2scnc21 ZINC001219186330 816266236 /nfs/dbraw/zinc/26/62/36/816266236.db2.gz HTECAPGLPSDBJV-UHFFFAOYSA-N 0 0 297.383 3.368 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cc3ccccc3[nH]2)c(O)c1 ZINC001220825773 816301789 /nfs/dbraw/zinc/30/17/89/816301789.db2.gz QHVWDLIXHTWZJT-UHFFFAOYSA-N 0 0 294.354 3.420 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC[C@@H]2C)c1 ZINC001221618150 816322598 /nfs/dbraw/zinc/32/25/98/816322598.db2.gz ZFRSOSKDNNGRHK-KBPBESRZSA-N 0 0 290.407 3.326 20 10 CGCDRN CSc1ncc(-c2nc(C)nc3c2ccn3C)cc1C ZINC001243142264 823261374 /nfs/dbraw/zinc/26/13/74/823261374.db2.gz IJOMJJLWBMKSNT-UHFFFAOYSA-N 0 0 284.388 3.369 20 10 CGCDRN C[C@H](Oc1ccc(N(C)C)cc1)c1ccncc1F ZINC001227938959 817759054 /nfs/dbraw/zinc/75/90/54/817759054.db2.gz HNWHYJHUNSBSLE-NSHDSACASA-N 0 0 260.312 3.427 20 10 CGCDRN C[C@H](O)C(=O)Oc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC001231320889 818074811 /nfs/dbraw/zinc/07/48/11/818074811.db2.gz YJDPVKPZZRRJBB-JTQLQIEISA-N 0 0 286.287 3.094 20 10 CGCDRN CN(C)c1ccc(/N=N/c2ccccn2)c(OC2COC2)c1 ZINC001231328607 818077204 /nfs/dbraw/zinc/07/72/04/818077204.db2.gz CMEMZLPWEVQRIZ-VHEBQXMUSA-N 0 0 298.346 3.341 20 10 CGCDRN CC[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1O ZINC001231467568 818104892 /nfs/dbraw/zinc/10/48/92/818104892.db2.gz YWEKPGCYNQZMRH-UHFFFAOYSA-N 0 0 291.372 3.174 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001231909927 818209052 /nfs/dbraw/zinc/20/90/52/818209052.db2.gz TXAOBJSWGYRPKR-LLVKDONJSA-N 0 0 257.736 3.370 20 10 CGCDRN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C1CCN(C)CC1 ZINC001231913560 818211550 /nfs/dbraw/zinc/21/15/50/818211550.db2.gz MSZCYVSFJUALAU-UHFFFAOYSA-N 0 0 296.842 3.350 20 10 CGCDRN Cc1ncccc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001231914211 818212707 /nfs/dbraw/zinc/21/27/07/818212707.db2.gz ICQYDNNDZSSHLY-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN COc1cc(O)c(C[NH+]2CCC3(CC3)CC2)cc1Cl ZINC001232266411 818297323 /nfs/dbraw/zinc/29/73/23/818297323.db2.gz NVLFRLTUCPIVOV-UHFFFAOYSA-N 0 0 281.783 3.430 20 10 CGCDRN CCOC1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232265553 818298397 /nfs/dbraw/zinc/29/83/97/818298397.db2.gz XOKCOEDIQPSSGA-UHFFFAOYSA-N 0 0 299.798 3.055 20 10 CGCDRN CN(Cc1cc(O)c(O)c(O)c1)Cc1ccccc1Cl ZINC001233013256 818503570 /nfs/dbraw/zinc/50/35/70/818503570.db2.gz QGLDYCZPNYIJKV-UHFFFAOYSA-N 0 0 293.750 3.089 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCc3c(F)cccc3C2)ccc(F)c1F ZINC001233078277 818518879 /nfs/dbraw/zinc/51/88/79/818518879.db2.gz OPHZPMQKZXPBJE-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN Cc1ncccc1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001233078973 818519398 /nfs/dbraw/zinc/51/93/98/818519398.db2.gz QJADAPGHZUUOHS-UHFFFAOYSA-N 0 0 278.302 3.006 20 10 CGCDRN Oc1cccc2c1CN(Cc1ccc(Cl)o1)CC2 ZINC001233316977 818575764 /nfs/dbraw/zinc/57/57/64/818575764.db2.gz OFFMHPROQHQNOR-UHFFFAOYSA-N 0 0 263.724 3.197 20 10 CGCDRN CCN(Cc1ccccn1)Cc1c(O)ccc(F)c1F ZINC001233335341 818584495 /nfs/dbraw/zinc/58/44/95/818584495.db2.gz QUHWHADJMAZZOA-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332637 818585778 /nfs/dbraw/zinc/58/57/78/818585778.db2.gz RYMFHXAMPRXYBC-SNVBAGLBSA-N 0 0 255.308 3.292 20 10 CGCDRN Oc1ccc(F)c(F)c1CN1CCC[C@H](F)C(F)(F)C1 ZINC001233332684 818586676 /nfs/dbraw/zinc/58/66/76/818586676.db2.gz UMOSBKSUGAVNPS-NSHDSACASA-N 0 0 295.251 3.240 20 10 CGCDRN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCCOC1 ZINC001233419632 818614523 /nfs/dbraw/zinc/61/45/23/818614523.db2.gz HCOIHQMZIJIJEY-LLVKDONJSA-N 0 0 289.297 3.022 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cccc1C(F)(F)F ZINC001233419149 818614793 /nfs/dbraw/zinc/61/47/93/818614793.db2.gz LEVWXQIFMNIEOT-SKDRFNHKSA-N 0 0 271.282 3.395 20 10 CGCDRN [O-]c1c(C[NH+]2CC3(CCC3)C2)cccc1C(F)(F)F ZINC001233416759 818615777 /nfs/dbraw/zinc/61/57/77/818615777.db2.gz VJRWORDPTORFBS-UHFFFAOYSA-N 0 0 271.282 3.397 20 10 CGCDRN CCCOC[C@@H](C)Oc1ccc2c(c1)CCN2CC ZINC001233602643 818656201 /nfs/dbraw/zinc/65/62/01/818656201.db2.gz YFDXHDSFKPAFRF-CYBMUJFWSA-N 0 0 263.381 3.263 20 10 CGCDRN Cc1ccc([C@@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)cc1 ZINC001233949076 818737637 /nfs/dbraw/zinc/73/76/37/818737637.db2.gz VIIOYIORNDBDOQ-LLVKDONJSA-N 0 0 296.326 3.489 20 10 CGCDRN CC(C)(C)c1ccc(CN2CCC(=O)[C@@H](F)CC2)c(O)c1 ZINC001235675917 819136886 /nfs/dbraw/zinc/13/68/86/819136886.db2.gz LZRMWIVMVYDJMS-AWEZNQCLSA-N 0 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CGCDRN CCO[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237815184 819849521 /nfs/dbraw/zinc/84/95/21/819849521.db2.gz WVWKWLPKZCBXPJ-LBPRGKRZSA-N 0 0 287.762 3.186 20 10 CGCDRN CN(Cc1nccs1)Cc1cc(F)c(Cl)cc1O ZINC001237949213 819891328 /nfs/dbraw/zinc/89/13/28/819891328.db2.gz ISNXYKRTRIVMMV-UHFFFAOYSA-N 0 0 286.759 3.273 20 10 CGCDRN CN(Cc1cscn1)Cc1cc(F)c(Cl)cc1O ZINC001237948763 819892190 /nfs/dbraw/zinc/89/21/90/819892190.db2.gz HYDCQLZFKJAZTJ-UHFFFAOYSA-N 0 0 286.759 3.273 20 10 CGCDRN Cc1cc(F)cc(CN2CCC(F)(F)[C@@H](F)C2)c1O ZINC001238065617 819921212 /nfs/dbraw/zinc/92/12/12/819921212.db2.gz WAINBXRQTDMKKC-NSHDSACASA-N 0 0 277.261 3.019 20 10 CGCDRN CCN(CC(=O)OC(C)(C)C)Cc1cc(F)cc(C)c1O ZINC001238068966 819923377 /nfs/dbraw/zinc/92/33/77/819923377.db2.gz HHTPTPMAGGKFEV-UHFFFAOYSA-N 0 0 297.370 3.003 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2ccc(C3CC3)nc2)n1 ZINC001238850439 820133474 /nfs/dbraw/zinc/13/34/74/820133474.db2.gz SJWYEFOCJYOOCQ-UHFFFAOYSA-N 0 0 264.332 3.216 20 10 CGCDRN 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C[C@@H](NC(=O)[C@H](F)c1ccccc1)c1ccccc1O ZINC001557966659 938212918 /nfs/dbraw/zinc/21/29/18/938212918.db2.gz MFVVFGUOMORSHF-IAQYHMDHSA-N 0 0 273.307 3.280 20 10 CGCDRN C/C(=C/C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001558036604 938213284 /nfs/dbraw/zinc/21/32/84/938213284.db2.gz WDRAODOZWRQEEO-RAXLEYEMSA-N 0 0 279.339 3.338 20 10 CGCDRN CC1(CC(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001558553836 938216203 /nfs/dbraw/zinc/21/62/03/938216203.db2.gz CAXIWODWOZDIKL-UHFFFAOYSA-N 0 0 269.344 3.352 20 10 CGCDRN CC(C)(C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001558553533 938216326 /nfs/dbraw/zinc/21/63/26/938216326.db2.gz QGFQDPDAXJHRKZ-UHFFFAOYSA-N 0 0 257.333 3.208 20 10 CGCDRN C[C@H](CCNC(=O)c1c(F)ccc(O)c1O)CC(C)(C)C ZINC001558965776 938218594 /nfs/dbraw/zinc/21/85/94/938218594.db2.gz JDDAQAVYCSATHS-SNVBAGLBSA-N 0 0 297.370 3.429 20 10 CGCDRN C[C@H](Nc1ncc(Br)cn1)c1ccccc1O ZINC001559259048 938223816 /nfs/dbraw/zinc/22/38/16/938223816.db2.gz GVRXDLJZRARYPX-QMMMGPOBSA-N 0 0 294.152 3.118 20 10 CGCDRN O=[N+]([O-])c1ccccc1NCc1c(O)cccc1F ZINC001559284799 938224388 /nfs/dbraw/zinc/22/43/88/938224388.db2.gz QNQKCNSBLWVYLR-UHFFFAOYSA-N 0 0 262.240 3.052 20 10 CGCDRN Oc1cccc(F)c1CNc1nc(C2CC2)nc2c1CCC2 ZINC001559284751 938224431 /nfs/dbraw/zinc/22/44/31/938224431.db2.gz PFBLOQLKYQAECQ-UHFFFAOYSA-N 0 0 299.349 3.300 20 10 CGCDRN CC(C)OC1(C[NH2+]Cc2cc(F)c(F)cc2[O-])CCC1 ZINC001560996747 938288572 /nfs/dbraw/zinc/28/85/72/938288572.db2.gz BEGQQMBODQAJRO-UHFFFAOYSA-N 0 0 285.334 3.108 20 10 CGCDRN COc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1 ZINC001562167500 938298251 /nfs/dbraw/zinc/29/82/51/938298251.db2.gz FXVQJEGKENUXFQ-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN C[C@@H](NC(=O)Nc1ccnc(Cl)c1)c1ccccc1O ZINC001562516634 938299193 /nfs/dbraw/zinc/29/91/93/938299193.db2.gz WZERCWFIWAXWBW-SECBINFHSA-N 0 0 291.738 3.323 20 10 CGCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001563432155 938302491 /nfs/dbraw/zinc/30/24/91/938302491.db2.gz KHFXNVMVSSTGIP-NSHDSACASA-N 0 0 288.322 3.092 20 10 CGCDRN CC(C)(C(=O)NCc1ccc(N)cc1)c1ccc(F)cc1 ZINC001575092094 962339331 /nfs/dbraw/zinc/33/93/31/962339331.db2.gz BZFJNCWJABPHJV-UHFFFAOYSA-N 0 0 286.350 3.002 20 10 CGCDRN CC(C)=CCC[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC001575390263 962363736 /nfs/dbraw/zinc/36/37/36/962363736.db2.gz SHLHAOXUOYNUKB-CYBMUJFWSA-N 0 0 260.381 3.062 20 10 CGCDRN CC(C)c1ccc(O)c(CN(Cc2cn[nH]n2)C(C)C)c1 ZINC001575454239 962371596 /nfs/dbraw/zinc/37/15/96/962371596.db2.gz MBHGNZNSIYAFHL-UHFFFAOYSA-N 0 0 288.395 3.044 20 10 CGCDRN CN(C(=O)c1cccc2c1CCN2)c1ccc(F)cc1 ZINC001578391589 962586128 /nfs/dbraw/zinc/58/61/28/962586128.db2.gz DCSJIIRUSPOMSH-UHFFFAOYSA-N 0 0 270.307 3.070 20 10 CGCDRN [NH3+]Cc1cccnc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC001580349442 962716665 /nfs/dbraw/zinc/71/66/65/962716665.db2.gz YVEXMVBSFSWKPM-UHFFFAOYSA-N 0 0 298.173 3.165 20 10 CGCDRN Nc1ccc(CNC(=O)NC2CC(c3ccccc3)C2)cc1 ZINC001580445639 962726334 /nfs/dbraw/zinc/72/63/34/962726334.db2.gz NCLLPLFPNJTNQK-UHFFFAOYSA-N 0 0 295.386 3.014 20 10 CGCDRN CCOc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1 ZINC001583915966 962869502 /nfs/dbraw/zinc/86/95/02/962869502.db2.gz MJEFZBRXRWWZSF-GHXNOFRVSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cccc3ccncc32)c1 ZINC001584983496 962972813 /nfs/dbraw/zinc/97/28/13/962972813.db2.gz MLBURYRLLSZMLI-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN C[C@H]([NH2+]CC1(C)CCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593248646 994472053 /nfs/dbraw/zinc/47/20/53/994472053.db2.gz KMMFHZXQLADGTK-NSHDSACASA-N 0 0 277.364 3.321 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594261622 999010687 /nfs/dbraw/zinc/01/06/87/999010687.db2.gz OMUNSPWTCMIHAW-JFGNBEQYSA-N 0 0 295.404 3.025 20 10 CGCDRN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000043306453 344996481 /nfs/dbraw/zinc/99/64/81/344996481.db2.gz GEEOTQBORNCRAS-AWEZNQCLSA-N 0 0 298.386 3.337 20 10 CGCDRN CCN(C)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000078285828 345598319 /nfs/dbraw/zinc/59/83/19/345598319.db2.gz XMIMJKAGTCXFRV-UHFFFAOYSA-N 0 0 256.349 3.186 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2cncs2)c2ccccc21 ZINC000493254228 244125922 /nfs/dbraw/zinc/12/59/22/244125922.db2.gz ITBCVCUXSPZOEO-MLRMMBSGSA-N 0 0 270.357 3.307 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000283487029 299399023 /nfs/dbraw/zinc/39/90/23/299399023.db2.gz XPXGKTOPQQBHMI-OIBJUYFYSA-N 0 0 273.348 3.215 20 10 CGCDRN COc1ccc(N(Cc2noc(C)n2)[C@H](C)C2CC2)cc1 ZINC000111236639 370394596 /nfs/dbraw/zinc/39/45/96/370394596.db2.gz LYWMZDGCGZMJNU-LLVKDONJSA-N 0 0 287.363 3.192 20 10 CGCDRN CCCc1nc(CN(C)Cc2ccccc2O)cs1 ZINC000114721362 370508136 /nfs/dbraw/zinc/50/81/36/370508136.db2.gz YXPLULTUVWHOGL-UHFFFAOYSA-N 0 0 276.405 3.433 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000283487032 296166050 /nfs/dbraw/zinc/16/60/50/296166050.db2.gz XPXGKTOPQQBHMI-XCBNKYQSSA-N 0 0 273.348 3.215 20 10 CGCDRN CC[C@@H]([NH2+]CCCn1ccnc1)c1cccc(Cl)c1[O-] ZINC000287084186 371601339 /nfs/dbraw/zinc/60/13/39/371601339.db2.gz VQVIQVMKUUUJBP-CQSZACIVSA-N 0 0 293.798 3.373 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000287257048 371629988 /nfs/dbraw/zinc/62/99/88/371629988.db2.gz ZTYZHXOZWAEYOI-ZWKOPEQDSA-N 0 0 285.334 3.015 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])o1 ZINC000291974953 372178892 /nfs/dbraw/zinc/17/88/92/372178892.db2.gz UOCXTPZTHHOVIH-SECBINFHSA-N 0 0 278.327 3.241 20 10 CGCDRN COc1cccc(CN(C)Cc2c(F)cccc2F)c1O ZINC000293609910 372424044 /nfs/dbraw/zinc/42/40/44/372424044.db2.gz JVDKOUGBAXECCK-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN CCC(C)(C)C(=O)CSc1ncc(C(=O)OC)s1 ZINC000295431860 372778677 /nfs/dbraw/zinc/77/86/77/372778677.db2.gz ZDSHHDRMZHCWMF-UHFFFAOYSA-N 0 0 287.406 3.027 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000296373624 373109605 /nfs/dbraw/zinc/10/96/05/373109605.db2.gz JHSJPRYXHUQILS-VIFPVBQESA-N 0 0 280.368 3.190 20 10 CGCDRN Nc1ccc(CNC(=O)CCCC2CCCC2)cc1 ZINC000296829401 373250209 /nfs/dbraw/zinc/25/02/09/373250209.db2.gz BCAWUCMRRXTGNQ-UHFFFAOYSA-N 0 0 260.381 3.246 20 10 CGCDRN Oc1ccc(CCNc2nc3ccccc3s2)cc1O ZINC000301599442 373787357 /nfs/dbraw/zinc/78/73/57/373787357.db2.gz ULUSVZHCQDJGHF-UHFFFAOYSA-N 0 0 286.356 3.362 20 10 CGCDRN Cc1nc(C)c(C)c(NCCCSc2nccs2)n1 ZINC000301675229 373797581 /nfs/dbraw/zinc/79/75/81/373797581.db2.gz HGQFTQONXRAGME-UHFFFAOYSA-N 0 0 294.449 3.453 20 10 CGCDRN COCC[N@H+](Cc1ccco1)Cc1cccc(Cl)c1[O-] ZINC000179739935 373912138 /nfs/dbraw/zinc/91/21/38/373912138.db2.gz RTCQRASQWLKQRE-UHFFFAOYSA-N 0 0 295.766 3.287 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncncc1Cl ZINC000302692885 373930486 /nfs/dbraw/zinc/93/04/86/373930486.db2.gz ZXQZGXNRWBBTGW-UHFFFAOYSA-N 0 0 277.755 3.252 20 10 CGCDRN CCCO[C@H]1CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000180180089 373974256 /nfs/dbraw/zinc/97/42/56/373974256.db2.gz YICSNOSZXVGMBS-INIZCTEOSA-N 0 0 277.408 3.482 20 10 CGCDRN Cc1ccc(C(=O)N(C(C)C)C2CCCC2)c(O)c1O ZINC000182379046 374265258 /nfs/dbraw/zinc/26/52/58/374265258.db2.gz VMWGHOVRIKREOK-UHFFFAOYSA-N 0 0 277.364 3.199 20 10 CGCDRN O=C(c1cccc(O)c1O)N(CC1CC1)C1CCCCC1 ZINC000188386493 375208671 /nfs/dbraw/zinc/20/86/71/375208671.db2.gz AQIGXHXUTLVUCP-UHFFFAOYSA-N 0 0 289.375 3.283 20 10 CGCDRN COc1ccc(N(C)CCOCC(F)F)cc1Cl ZINC000189545613 375407065 /nfs/dbraw/zinc/40/70/65/375407065.db2.gz PNEDMENZQWVALU-UHFFFAOYSA-N 0 0 279.714 3.067 20 10 CGCDRN CC(C)COCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191188943 375592917 /nfs/dbraw/zinc/59/29/17/375592917.db2.gz XXUSKAXNTWJKAD-NSHDSACASA-N 0 0 287.350 3.384 20 10 CGCDRN CC[C@]1(C)C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000191148978 375584926 /nfs/dbraw/zinc/58/49/26/375584926.db2.gz GTMCQXJRZGGXKD-CQSZACIVSA-N 0 0 269.772 3.047 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)[C@H]1C1CC1 ZINC000528858679 375912100 /nfs/dbraw/zinc/91/21/00/375912100.db2.gz AIVRLBGPLMZNGL-UZCIPKQKSA-N 0 0 299.414 3.179 20 10 CGCDRN COc1cccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c1O ZINC000263655752 377949380 /nfs/dbraw/zinc/94/93/80/377949380.db2.gz FWDXRHRITDUCQA-RISCZKNCSA-N 0 0 287.359 3.407 20 10 CGCDRN CCC(=CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC ZINC000268428431 378058207 /nfs/dbraw/zinc/05/82/07/378058207.db2.gz MYBQLANGIRTHBK-UHFFFAOYSA-N 0 0 274.408 3.457 20 10 CGCDRN Cc1cc(C(=O)NOC2CCCC2)c(C)n1-c1ccccn1 ZINC000271798301 378504019 /nfs/dbraw/zinc/50/40/19/378504019.db2.gz LUPWZXKRJUOVCQ-UHFFFAOYSA-N 0 0 299.374 3.093 20 10 CGCDRN CCCCc1nnc(NCc2c(O)cccc2Cl)o1 ZINC000271952419 378528157 /nfs/dbraw/zinc/52/81/57/378528157.db2.gz CEEAMDPDPRJGJC-UHFFFAOYSA-N 0 0 281.743 3.383 20 10 CGCDRN COC1(C)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000272321873 378612451 /nfs/dbraw/zinc/61/24/51/378612451.db2.gz BBRDRMOPLALMTI-UHFFFAOYSA-N 0 0 269.772 3.047 20 10 CGCDRN CCc1nnc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000274818373 378901756 /nfs/dbraw/zinc/90/17/56/378901756.db2.gz AVCIULCCEYKGNZ-NSHDSACASA-N 0 0 290.436 3.017 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000378435706 379824657 /nfs/dbraw/zinc/82/46/57/379824657.db2.gz AHXLTPNODWLYLY-AWEZNQCLSA-N 0 0 294.826 3.106 20 10 CGCDRN CCn1cc(CCN(C)c2ccc(OC)c(Cl)c2)cn1 ZINC000284982077 380143123 /nfs/dbraw/zinc/14/31/23/380143123.db2.gz KQNITKAOXAJRRK-UHFFFAOYSA-N 0 0 293.798 3.244 20 10 CGCDRN COCCc1ccnc(NCc2cc(C)c(C)cc2O)c1 ZINC000285310040 380148364 /nfs/dbraw/zinc/14/83/64/380148364.db2.gz VNISCVSDSYWKHN-UHFFFAOYSA-N 0 0 286.375 3.205 20 10 CGCDRN CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(F)cc1[O-] ZINC000286232907 380179186 /nfs/dbraw/zinc/17/91/86/380179186.db2.gz SYCWDXIQZXKLJY-FZMZJTMJSA-N 0 0 283.387 3.369 20 10 CGCDRN CCCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000356018956 380788894 /nfs/dbraw/zinc/78/88/94/380788894.db2.gz ZFELRSHCXMVTFW-UHFFFAOYSA-N 0 0 288.391 3.058 20 10 CGCDRN C[C@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)c2nccn21 ZINC000295346078 542406289 /nfs/dbraw/zinc/40/62/89/542406289.db2.gz YOHPSTHMGGHNIY-WMLDXEAASA-N 0 0 296.418 3.279 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ccccc2[N+](=O)[O-])c1 ZINC000037058968 391980179 /nfs/dbraw/zinc/98/01/79/391980179.db2.gz SJYKUFSBZWTDHP-SNVBAGLBSA-N 0 0 288.303 3.482 20 10 CGCDRN CC(C)c1noc([C@@H](C)N(C)Cc2ccccc2O)n1 ZINC000109769827 392372834 /nfs/dbraw/zinc/37/28/34/392372834.db2.gz OAXYEUSSEBVBPR-LLVKDONJSA-N 0 0 275.352 3.092 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)o1 ZINC000121914872 392417707 /nfs/dbraw/zinc/41/77/07/392417707.db2.gz WNQBVJWHZGBQRL-UHFFFAOYSA-N 0 0 298.386 3.209 20 10 CGCDRN CC(C)SCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289960480 392438684 /nfs/dbraw/zinc/43/86/84/392438684.db2.gz YILKOTLWEUJMBP-UHFFFAOYSA-N 0 0 259.802 3.277 20 10 CGCDRN O=C(CSc1nccs1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000298764042 392576669 /nfs/dbraw/zinc/57/66/69/392576669.db2.gz DUTPAXVMJKBZQR-RYUDHWBXSA-N 0 0 296.461 3.416 20 10 CGCDRN O=C(COc1ccc(N2CCCC2)cc1)Nc1ccccc1 ZINC000178193590 392674631 /nfs/dbraw/zinc/67/46/31/392674631.db2.gz KZUVAPLBJMNXIY-UHFFFAOYSA-N 0 0 296.370 3.304 20 10 CGCDRN Cc1ccc(C(=O)N2CCC3(C2)CCCCC3)c(O)c1O ZINC000179518998 392702604 /nfs/dbraw/zinc/70/26/04/392702604.db2.gz KVNCLPZEYJZALL-UHFFFAOYSA-N 0 0 289.375 3.203 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccs1 ZINC000348661641 393127611 /nfs/dbraw/zinc/12/76/11/393127611.db2.gz OZNQXPQIDHVLPF-UHFFFAOYSA-N 0 0 284.384 3.478 20 10 CGCDRN Cc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1F ZINC000264574006 393160653 /nfs/dbraw/zinc/16/06/53/393160653.db2.gz KUPBROOCYJOHAN-KPKJPENVSA-N 0 0 293.388 3.498 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000135214969 287040148 /nfs/dbraw/zinc/04/01/48/287040148.db2.gz YQOSVKRNOASFDS-BDAKNGLRSA-N 0 0 290.190 3.214 20 10 CGCDRN CC(=O)Nc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000019917007 170926068 /nfs/dbraw/zinc/92/60/68/170926068.db2.gz MHDBQLFHWUCCNZ-UHFFFAOYSA-N 0 0 283.375 3.323 20 10 CGCDRN COCc1ccccc1NCc1cccc(OC)c1O ZINC000036938937 260054240 /nfs/dbraw/zinc/05/42/40/260054240.db2.gz SRTSTLUOAFEARL-UHFFFAOYSA-N 0 0 273.332 3.159 20 10 CGCDRN CC(C)[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000298187294 260147550 /nfs/dbraw/zinc/14/75/50/260147550.db2.gz FDPGQALFZSFVLD-CQSZACIVSA-N 0 0 276.405 3.196 20 10 CGCDRN CC(C)CN(C(=O)c1cccc(O)c1O)C1CCCC1 ZINC000126482894 260353438 /nfs/dbraw/zinc/35/34/38/260353438.db2.gz KIFWGFCOBQPALP-UHFFFAOYSA-N 0 0 277.364 3.139 20 10 CGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155685154 261106028 /nfs/dbraw/zinc/10/60/28/261106028.db2.gz JVTJNLLQWFQISL-OAHLLOKOSA-N 0 0 299.418 3.004 20 10 CGCDRN CC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155694012 261106098 /nfs/dbraw/zinc/10/60/98/261106098.db2.gz WGAFIUDRRSELOF-UHFFFAOYSA-N 0 0 299.418 3.004 20 10 CGCDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000159111197 261178502 /nfs/dbraw/zinc/17/85/02/261178502.db2.gz SICVFDYMKGUFOL-KBPBESRZSA-N 0 0 282.387 3.120 20 10 CGCDRN CCn1nc(C)c(CN(C)c2ccc(OC)c(F)c2)c1C ZINC000180773859 261874362 /nfs/dbraw/zinc/87/43/62/261874362.db2.gz IZANDZJBXCVIIJ-UHFFFAOYSA-N 0 0 291.370 3.304 20 10 CGCDRN COc1cccc(CNC(=O)/C(C)=C/C(C)(C)C)c1O ZINC000184977125 262035868 /nfs/dbraw/zinc/03/58/68/262035868.db2.gz CLHUZSXHHWDQID-PKNBQFBNSA-N 0 0 277.364 3.009 20 10 CGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185454079 262055504 /nfs/dbraw/zinc/05/55/04/262055504.db2.gz ZIDMHZPBRRSCTG-SJKOYZFVSA-N 0 0 289.350 3.090 20 10 CGCDRN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185463878 262056220 /nfs/dbraw/zinc/05/62/20/262056220.db2.gz PWSORLMGMZFCEV-KWQFWETISA-N 0 0 292.206 3.367 20 10 CGCDRN Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186124509 262080799 /nfs/dbraw/zinc/08/07/99/262080799.db2.gz RYZIBIODJNVHAE-SJKOYZFVSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000186124493 262081087 /nfs/dbraw/zinc/08/10/87/262081087.db2.gz RYZIBIODJNVHAE-SJCJKPOMSA-N 0 0 289.350 3.224 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1C=CCCC1 ZINC000186412282 262091574 /nfs/dbraw/zinc/09/15/74/262091574.db2.gz BMLNKNHVFFWYIJ-CYBMUJFWSA-N 0 0 259.349 3.097 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCc2ccccc21 ZINC000299558680 263246921 /nfs/dbraw/zinc/24/69/21/263246921.db2.gz ZCOZGAGLXXJKFW-MRXNPFEDSA-N 0 0 296.370 3.269 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000370191308 267298255 /nfs/dbraw/zinc/29/82/55/267298255.db2.gz CSOOZLYBZNUEAP-UHFFFAOYSA-N 0 0 286.419 3.240 20 10 CGCDRN CC[C@H]([NH2+]C1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287788927 288035294 /nfs/dbraw/zinc/03/52/94/288035294.db2.gz SQKJQTQXPJUZGT-AWEZNQCLSA-N 0 0 282.815 3.181 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(Cl)cn2)s1 ZINC000255838413 327019863 /nfs/dbraw/zinc/01/98/63/327019863.db2.gz AZKOFZSXNOGKIH-XQRVVYSFSA-N 0 0 293.779 3.176 20 10 CGCDRN CCC(CC)N(CC(C)C)C(=O)Cc1ccc(N)cc1 ZINC000093308053 327109953 /nfs/dbraw/zinc/10/99/53/327109953.db2.gz KZPMBLBMYVOONG-UHFFFAOYSA-N 0 0 276.424 3.485 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000377620429 329020974 /nfs/dbraw/zinc/02/09/74/329020974.db2.gz FSVCOVSMABXXHA-AWEZNQCLSA-N 0 0 291.782 3.496 20 10 CGCDRN Cc1cccc(CNc2cccc3c2OCC[C@H]3O)c1O ZINC000185578483 329326716 /nfs/dbraw/zinc/32/67/16/329326716.db2.gz IRKFNOAZURDROA-OAHLLOKOSA-N 0 0 285.343 3.129 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)C1CC1 ZINC000527175915 330231673 /nfs/dbraw/zinc/23/16/73/330231673.db2.gz GXQPFHHCDOHEDT-UHFFFAOYSA-N 0 0 299.418 3.475 20 10 CGCDRN CCOc1ccc(CNc2cccc3c2OCC3)c(O)c1 ZINC000527759996 330281321 /nfs/dbraw/zinc/28/13/21/330281321.db2.gz FARBDLSZKYDKJO-UHFFFAOYSA-N 0 0 285.343 3.338 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(F)cc1[O-] ZINC000528004385 330300369 /nfs/dbraw/zinc/30/03/69/330300369.db2.gz FXXCSRZPUNJRHF-NJFNOFPYSA-N 0 0 281.371 3.384 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccn1)c1cccc(Cl)c1 ZINC000491153130 332157460 /nfs/dbraw/zinc/15/74/60/332157460.db2.gz YYMBGLZXTAVCQZ-SREVYHEPSA-N 0 0 287.750 3.196 20 10 CGCDRN CSc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1 ZINC000491846363 332371816 /nfs/dbraw/zinc/37/18/16/332371816.db2.gz ODXMHQSTAIESDH-BJMVGYQFSA-N 0 0 284.384 3.480 20 10 CGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc2cc[nH]c2c1 ZINC000491965506 332377582 /nfs/dbraw/zinc/37/75/82/332377582.db2.gz SGFIZLLUYCQVNR-DJWKRKHSSA-N 0 0 295.317 3.378 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCc2c1c(F)ccc2F ZINC000492901736 332417939 /nfs/dbraw/zinc/41/79/39/332417939.db2.gz RJSLKLCPEWLCMN-RJRFIUFISA-N 0 0 292.310 3.024 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1ccc(C)cc1O ZINC000230671484 333320545 /nfs/dbraw/zinc/32/05/45/333320545.db2.gz QMTNLOJRDFKPDN-LLVKDONJSA-N 0 0 259.353 3.170 20 10 CGCDRN Nc1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000238040895 333382350 /nfs/dbraw/zinc/38/23/50/333382350.db2.gz XNQOFMFOHHDRFB-UHFFFAOYSA-N 0 0 272.373 3.461 20 10 CGCDRN CS[C@H](C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000348672228 534030095 /nfs/dbraw/zinc/03/00/95/534030095.db2.gz ZVQCSULNVSTEKB-LLVKDONJSA-N 0 0 290.432 3.245 20 10 CGCDRN CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000130164377 519789207 /nfs/dbraw/zinc/78/92/07/519789207.db2.gz FKUZOQQJGPNCJR-QGZVFWFLSA-N 0 0 299.370 3.154 20 10 CGCDRN CCCNC(=O)c1cccc(NCc2cc(C)ccc2O)c1 ZINC000103855252 519903995 /nfs/dbraw/zinc/90/39/95/519903995.db2.gz UNCUCSKVWPSYNG-UHFFFAOYSA-N 0 0 298.386 3.453 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N(C)C2CCC2)cc1 ZINC000073778623 520898185 /nfs/dbraw/zinc/89/81/85/520898185.db2.gz JBWFJPGZMLLYCK-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@](C)(CC)C(=O)[O-])cc1 ZINC000277901982 520905439 /nfs/dbraw/zinc/90/54/39/520905439.db2.gz FIGQIRIWGXYSSI-QGZVFWFLSA-N 0 0 292.423 3.123 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccs1 ZINC000052851229 521319742 /nfs/dbraw/zinc/31/97/42/521319742.db2.gz BSSYFPUGAPEHSH-UHFFFAOYSA-N 0 0 288.416 3.476 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000279772755 521689449 /nfs/dbraw/zinc/68/94/49/521689449.db2.gz GDXRTQWHSQYADA-HNNXBMFYSA-N 0 0 291.391 3.088 20 10 CGCDRN CCS[C@H](C(=O)N(C)Cc1ccccc1O)C(C)C ZINC000067154199 521727915 /nfs/dbraw/zinc/72/79/15/521727915.db2.gz NDTUCNPUKODFMX-AWEZNQCLSA-N 0 0 281.421 3.128 20 10 CGCDRN CN(CCC1CCCCC1)C(=O)c1cccc(O)c1O ZINC000187061125 522711427 /nfs/dbraw/zinc/71/14/27/522711427.db2.gz VYOTUHBHNCJGGX-UHFFFAOYSA-N 0 0 277.364 3.140 20 10 CGCDRN CCc1nnc(CNCc2cc(Cl)cc(C)c2O)s1 ZINC000290986760 522740937 /nfs/dbraw/zinc/74/09/37/522740937.db2.gz UPKRBGHPCXHCAD-UHFFFAOYSA-N 0 0 297.811 3.058 20 10 CGCDRN CCc1nnc(CN[C@H](C)c2cc(Cl)ccc2O)s1 ZINC000290076133 522745233 /nfs/dbraw/zinc/74/52/33/522745233.db2.gz GMHRWHPZXGDWSV-MRVPVSSYSA-N 0 0 297.811 3.310 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000290029029 522748538 /nfs/dbraw/zinc/74/85/38/522748538.db2.gz CTFGCLAKVYNPIW-LSDHHAIUSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cccc(Cl)c1[O-] ZINC000287748707 522921292 /nfs/dbraw/zinc/92/12/92/522921292.db2.gz QBUYBHROKGAOLE-MISXGVKJSA-N 0 0 281.783 3.023 20 10 CGCDRN COCCCCc1cccnc1NCc1ccccc1O ZINC000291062844 523191440 /nfs/dbraw/zinc/19/14/40/523191440.db2.gz KEJSOVOTICOZDV-UHFFFAOYSA-N 0 0 286.375 3.368 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC1(C)C ZINC000079131454 523381460 /nfs/dbraw/zinc/38/14/60/523381460.db2.gz OAPOPOQBZGPUKG-CQSZACIVSA-N 0 0 276.380 3.112 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(F)F ZINC000293367862 524208471 /nfs/dbraw/zinc/20/84/71/524208471.db2.gz FOBQTRQPXIYQIO-LBPRGKRZSA-N 0 0 296.361 3.194 20 10 CGCDRN Cc1ccc(NCc2cc3c(cc2O)OCO3)c(C)c1 ZINC000044418148 525282561 /nfs/dbraw/zinc/28/25/61/525282561.db2.gz RENUHCKGUXAPDR-UHFFFAOYSA-N 0 0 271.316 3.350 20 10 CGCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000070942537 525525692 /nfs/dbraw/zinc/52/56/92/525525692.db2.gz QQKFCGCYBLIEEN-LLVKDONJSA-N 0 0 261.394 3.060 20 10 CGCDRN C[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192866893 525770846 /nfs/dbraw/zinc/77/08/46/525770846.db2.gz SDIXGEGARDYZAY-SFYZADRCSA-N 0 0 278.179 3.121 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CCSCC1 ZINC000293516709 526332404 /nfs/dbraw/zinc/33/24/04/526332404.db2.gz CQYOFBMDORHYOC-UHFFFAOYSA-N 0 0 289.803 3.418 20 10 CGCDRN Cc1noc([C@@H]2CCCCN2Cc2cc(C)ccc2O)n1 ZINC000289649783 526650757 /nfs/dbraw/zinc/65/07/57/526650757.db2.gz CBSABNYZFBACSL-AWEZNQCLSA-N 0 0 287.363 3.119 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000037799788 527475816 /nfs/dbraw/zinc/47/58/16/527475816.db2.gz KNFQUIHYWFLPTN-CQSZACIVSA-N 0 0 286.400 3.237 20 10 CGCDRN Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000037666204 527481978 /nfs/dbraw/zinc/48/19/78/527481978.db2.gz FDNAFJGQSOAZIJ-UHFFFAOYSA-N 0 0 284.403 3.101 20 10 CGCDRN CC(F)(F)CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000295979763 528730376 /nfs/dbraw/zinc/73/03/76/528730376.db2.gz JFWIODKRYQZBRW-UHFFFAOYSA-N 0 0 294.685 3.089 20 10 CGCDRN CCN(Cc1cn2ccsc2n1)c1ccc(OC)cc1 ZINC000726970184 571694367 /nfs/dbraw/zinc/69/43/67/571694367.db2.gz IQQNYPCIPUSECU-UHFFFAOYSA-N 0 0 287.388 3.431 20 10 CGCDRN Cc1ccc(C(=O)O[C@@H](C)c2cccc(F)c2)c(O)c1O ZINC000727004869 571700533 /nfs/dbraw/zinc/70/05/33/571700533.db2.gz XNJRIMIUPJUEQB-JTQLQIEISA-N 0 0 290.290 3.463 20 10 CGCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000728748157 571816798 /nfs/dbraw/zinc/81/67/98/571816798.db2.gz QPRXKGYNPAOLHL-GJZGRUSLSA-N 0 0 290.407 3.406 20 10 CGCDRN Cc1ccc(C[C@@H](C)N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000738545945 572378425 /nfs/dbraw/zinc/37/84/25/572378425.db2.gz WHRSJMWEKZLMCA-GFCCVEGCSA-N 0 0 289.400 3.465 20 10 CGCDRN CCCC[C@@H](CC)CNC(=S)NCc1cccn1C ZINC000743062191 572393700 /nfs/dbraw/zinc/39/37/00/572393700.db2.gz UTMMCIVRLAIQGK-CYBMUJFWSA-N 0 0 281.469 3.206 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccn(C(C)C)n2)cc1 ZINC000739924285 572427031 /nfs/dbraw/zinc/42/70/31/572427031.db2.gz PMFDUTDQROLBRK-UHFFFAOYSA-N 0 0 273.380 3.499 20 10 CGCDRN O=C(Nc1ccc2c(c1)CCC2)C1=CC(=O)CS1 ZINC000731864981 572430295 /nfs/dbraw/zinc/43/02/95/572430295.db2.gz GPJRJPLHBNVHOM-UHFFFAOYSA-N 0 0 259.330 3.195 20 10 CGCDRN CSc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731865615 572430552 /nfs/dbraw/zinc/43/05/52/572430552.db2.gz NIZDDTRNIIFTGN-UHFFFAOYSA-N 0 0 265.359 3.428 20 10 CGCDRN Cc1cc(C(=O)COC(=O)C2=CC(=O)CS2)c(C)s1 ZINC000731911241 572435744 /nfs/dbraw/zinc/43/57/44/572435744.db2.gz HIPRLTVLEJSHHY-UHFFFAOYSA-N 0 0 296.369 3.172 20 10 CGCDRN COc1ccc(C)cc1COC(=O)C1=CC(=O)CS1 ZINC000731912662 572436113 /nfs/dbraw/zinc/43/61/13/572436113.db2.gz XGJWUKAAKJDMMA-UHFFFAOYSA-N 0 0 278.329 3.128 20 10 CGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1OC ZINC000732270550 572455965 /nfs/dbraw/zinc/45/59/65/572455965.db2.gz XHFGEKNWWICZEJ-LBPRGKRZSA-N 0 0 291.372 3.343 20 10 CGCDRN C[C@@H]1CCC[C@H](N(C)C(=O)C2=CC(=O)CS2)C1 ZINC000732268672 572455986 /nfs/dbraw/zinc/45/59/86/572455986.db2.gz JZVMJGOEQPULBU-ZJUUUORDSA-N 0 0 253.367 3.104 20 10 CGCDRN CC[C@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000732269914 572456088 /nfs/dbraw/zinc/45/60/88/572456088.db2.gz MDPOGCJXTABTMG-GXSJLCMTSA-N 0 0 253.367 3.152 20 10 CGCDRN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCc1ccccc1O ZINC000732458302 572468045 /nfs/dbraw/zinc/46/80/45/572468045.db2.gz HZASYPUZNGIVMO-SJKOYZFVSA-N 0 0 296.370 3.125 20 10 CGCDRN CC[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740919323 572468734 /nfs/dbraw/zinc/46/87/34/572468734.db2.gz NBQAZMIXXMQPGE-INIZCTEOSA-N 0 0 299.418 3.147 20 10 CGCDRN Cc1cccc([C@H](C)CNC(=O)C2=CC(=O)CS2)c1 ZINC000741305129 572492213 /nfs/dbraw/zinc/49/22/13/572492213.db2.gz YXLYVNOFJUAGGG-LLVKDONJSA-N 0 0 275.373 3.296 20 10 CGCDRN CCc1cc(NCc2ccc(N3CCCC3)cc2)ncn1 ZINC000733187876 572540743 /nfs/dbraw/zinc/54/07/43/572540743.db2.gz VYJCCCNHTQKKCR-UHFFFAOYSA-N 0 0 282.391 3.251 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H](C)C1 ZINC000733646115 572592529 /nfs/dbraw/zinc/59/25/29/572592529.db2.gz PIZMBSUUNADIRE-YRGRVCCFSA-N 0 0 276.380 3.016 20 10 CGCDRN CCN(CCc1cccnc1)c1ccc(OC)c(OC)c1 ZINC000734146681 572631044 /nfs/dbraw/zinc/63/10/44/572631044.db2.gz MLACLOGDVXRPEO-UHFFFAOYSA-N 0 0 286.375 3.168 20 10 CGCDRN CC/C=C(\C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000734407428 572653669 /nfs/dbraw/zinc/65/36/69/572653669.db2.gz VBWVTIHCGPEGHC-KPKJPENVSA-N 0 0 260.381 3.034 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C/C1CCCCC1 ZINC000735849117 572745069 /nfs/dbraw/zinc/74/50/69/572745069.db2.gz GMQXHIGLMIBHHM-VAWYXSNFSA-N 0 0 273.376 3.487 20 10 CGCDRN Cc1cc(F)cc2[nH]c(C(=O)NCc3ccccc3O)cc21 ZINC000735857944 572746026 /nfs/dbraw/zinc/74/60/26/572746026.db2.gz WNMMIRKUEZDKBN-UHFFFAOYSA-N 0 0 298.317 3.251 20 10 CGCDRN Cc1cc(CCNC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000746425966 572870943 /nfs/dbraw/zinc/87/09/43/572870943.db2.gz LLNNQCUHWAVSAE-SCLBCKFNSA-N 0 0 296.414 3.409 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@@H]1CC12CCCC2 ZINC000747394081 572927241 /nfs/dbraw/zinc/92/72/41/572927241.db2.gz MQQVVNCYONURDN-NSHDSACASA-N 0 0 296.461 3.322 20 10 CGCDRN COc1ccc(O)c(CNC(=O)/C=C(/C)C(C)(C)C)c1 ZINC000748039513 572958681 /nfs/dbraw/zinc/95/86/81/572958681.db2.gz LMVPZJVCTHWMDD-FLIBITNWSA-N 0 0 277.364 3.009 20 10 CGCDRN Oc1ccccc1CNC(=S)Nc1ccc2c(c1)CCC2 ZINC000748156536 572964106 /nfs/dbraw/zinc/96/41/06/572964106.db2.gz GOJMOJFGIYBJRJ-UHFFFAOYSA-N 0 0 298.411 3.368 20 10 CGCDRN O=C(CCn1ccc2ccccc21)NCc1ccccc1O ZINC000748350617 572974542 /nfs/dbraw/zinc/97/45/42/572974542.db2.gz YQPLJWCOBCETNJ-UHFFFAOYSA-N 0 0 294.354 3.053 20 10 CGCDRN CCCC[C@H](CC)CNC(=O)NCc1ccccc1O ZINC000748462163 572978090 /nfs/dbraw/zinc/97/80/90/572978090.db2.gz ACMLLXSRYVDOIR-ZDUSSCGKSA-N 0 0 278.396 3.408 20 10 CGCDRN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000086754756 618072901 /nfs/dbraw/zinc/07/29/01/618072901.db2.gz GWNXNIYTSKZUMG-CYBMUJFWSA-N 0 0 297.782 3.265 20 10 CGCDRN CC(C)n1cccc1C(=O)NCc1cccc(Cl)c1O ZINC000890760138 617815182 /nfs/dbraw/zinc/81/51/82/617815182.db2.gz JEBQQSUYIDPLAS-UHFFFAOYSA-N 0 0 292.766 3.358 20 10 CGCDRN Cc1ccc([C@@H](C)C(=O)NCc2cccc(Cl)c2O)o1 ZINC000890759665 617815192 /nfs/dbraw/zinc/81/51/92/617815192.db2.gz GQTJZHVEOLHTBN-SNVBAGLBSA-N 0 0 293.750 3.367 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761375 617817188 /nfs/dbraw/zinc/81/71/88/617817188.db2.gz PVDFBEAAWFMCNY-VXGBXAGGSA-N 0 0 281.783 3.344 20 10 CGCDRN COc1ccc(O)c(CNc2ncc(Cl)cc2C)c1 ZINC000812784458 617852626 /nfs/dbraw/zinc/85/26/26/617852626.db2.gz PGELWWQZHFGPEH-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN COc1ccc(C)cc1CN(C)c1ccc(N)cc1 ZINC000050705069 618683177 /nfs/dbraw/zinc/68/31/77/618683177.db2.gz MENUCDLWTWXLRO-UHFFFAOYSA-N 0 0 256.349 3.222 20 10 CGCDRN CCN(CC)c1ccc(CN[C@H](C)c2ncc[nH]2)cc1F ZINC000286190603 618762130 /nfs/dbraw/zinc/76/21/30/618762130.db2.gz RGILQMYOBKSAFM-GFCCVEGCSA-N 0 0 290.386 3.246 20 10 CGCDRN O=C(/C=C\c1cccnc1)N1CCc2c1cccc2Cl ZINC000255917564 618880189 /nfs/dbraw/zinc/88/01/89/618880189.db2.gz ZXCLUDILBMHCSK-SREVYHEPSA-N 0 0 284.746 3.338 20 10 CGCDRN CN(CCCCC1CCOCC1)c1ccc(N)cc1 ZINC000311356624 618904886 /nfs/dbraw/zinc/90/48/86/618904886.db2.gz YONLQBXZRWFRQD-UHFFFAOYSA-N 0 0 262.397 3.302 20 10 CGCDRN Oc1ccc2c(c1CNc1nccs1)CCCC2 ZINC000892693638 618910593 /nfs/dbraw/zinc/91/05/93/618910593.db2.gz DIUDUKJFLUWREQ-UHFFFAOYSA-N 0 0 260.362 3.340 20 10 CGCDRN COc1ccc(CN(C)c2ccc(C)cc2)c(O)c1OC ZINC000893453235 619179666 /nfs/dbraw/zinc/17/96/66/619179666.db2.gz XUPNLIUUXXIQPN-UHFFFAOYSA-N 0 0 287.359 3.354 20 10 CGCDRN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(OC)c1O ZINC000228566252 619235079 /nfs/dbraw/zinc/23/50/79/619235079.db2.gz SVTUIZLGUQYUCZ-GXFFZTMASA-N 0 0 299.798 3.054 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCO[C@@H](C2CCC2)C1 ZINC000840954850 619260456 /nfs/dbraw/zinc/26/04/56/619260456.db2.gz MJOWWOQXWXRIKX-OAHLLOKOSA-N 0 0 281.783 3.047 20 10 CGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H](C)O1 ZINC000840964939 619284970 /nfs/dbraw/zinc/28/49/70/619284970.db2.gz YRRPDONLFIWESK-KXUCPTDWSA-N 0 0 287.762 3.088 20 10 CGCDRN COc1cc(C)cc(CNc2ccc(N(C)C)cc2)c1O ZINC000894115819 619378805 /nfs/dbraw/zinc/37/88/05/619378805.db2.gz GRJKETPQWBIBFI-UHFFFAOYSA-N 0 0 286.375 3.387 20 10 CGCDRN COc1ccc(C)nc1NCc1cc(C)cc(OC)c1O ZINC000894342627 619498018 /nfs/dbraw/zinc/49/80/18/619498018.db2.gz OXFFQWVKWOGKIZ-UHFFFAOYSA-N 0 0 288.347 3.033 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000018174743 619521389 /nfs/dbraw/zinc/52/13/89/619521389.db2.gz CZJUYYIZAPHCFR-UHFFFAOYSA-N 0 0 283.375 3.383 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)co2)cc1OC ZINC000894462530 619545526 /nfs/dbraw/zinc/54/55/26/619545526.db2.gz WXBBYTPZZNGSHO-UHFFFAOYSA-N 0 0 261.321 3.242 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])CC(C)C ZINC000841888196 619814585 /nfs/dbraw/zinc/81/45/85/619814585.db2.gz FUFMDHYWTUINOT-GFCCVEGCSA-N 0 0 271.788 3.196 20 10 CGCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000072924601 625374340 /nfs/dbraw/zinc/37/43/40/625374340.db2.gz CQUQNNSLXAAFEK-GFCCVEGCSA-N 0 0 292.206 3.460 20 10 CGCDRN CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185545877 625374786 /nfs/dbraw/zinc/37/47/86/625374786.db2.gz ZLBDOFIPKGNMJO-LBPRGKRZSA-N 0 0 291.370 3.235 20 10 CGCDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(N)cc1 ZINC000841299024 619836700 /nfs/dbraw/zinc/83/67/00/619836700.db2.gz FEIMLZRTFBVDHM-XUJVJEKNSA-N 0 0 273.380 3.454 20 10 CGCDRN CS[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896640056 620041713 /nfs/dbraw/zinc/04/17/13/620041713.db2.gz OQHCHSXGHVXNPT-GHMZBOCLSA-N 0 0 269.385 3.295 20 10 CGCDRN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000896837755 620074499 /nfs/dbraw/zinc/07/44/99/620074499.db2.gz JHMFAWYURFDJOD-IUCAKERBSA-N 0 0 291.372 3.183 20 10 CGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C[C@H]1C ZINC000252782764 620375647 /nfs/dbraw/zinc/37/56/47/620375647.db2.gz VZYYZRQMINAAEC-NQBHXWOUSA-N 0 0 251.345 3.446 20 10 CGCDRN C[C@@H]1CC2(CC([NH2+]Cc3cc(Cl)cc(F)c3[O-])C2)CO1 ZINC000897778978 620430247 /nfs/dbraw/zinc/43/02/47/620430247.db2.gz LQGZNFGIGULNEH-DQSQBROSSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cncs1 ZINC000897933524 620448874 /nfs/dbraw/zinc/44/88/74/620448874.db2.gz ZBGKSDOPECDWNV-MRVPVSSYSA-N 0 0 268.769 3.353 20 10 CGCDRN CC(C)[C@H]1CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897909166 620449288 /nfs/dbraw/zinc/44/92/88/620449288.db2.gz RNQJFURHNOYDDR-SNVBAGLBSA-N 0 0 291.372 3.183 20 10 CGCDRN CCc1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000898219465 620489568 /nfs/dbraw/zinc/48/95/68/620489568.db2.gz XWYDQJHHPUQBQA-UHFFFAOYSA-N 0 0 282.796 3.354 20 10 CGCDRN Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(N)cc2)s1 ZINC000080248013 620530226 /nfs/dbraw/zinc/53/02/26/620530226.db2.gz DYGOBQNUALFNCN-SNVBAGLBSA-N 0 0 289.404 3.391 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927148218 620604796 /nfs/dbraw/zinc/60/47/96/620604796.db2.gz PSHBKZLOWFKBAS-CIUDSAMLSA-N 0 0 290.190 3.121 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(F)=C(\C)C2CC2)c1 ZINC000901127843 620834929 /nfs/dbraw/zinc/83/49/29/620834929.db2.gz NFUHYARUGLGQRO-QNKACBJSSA-N 0 0 293.338 3.232 20 10 CGCDRN CCOc1ccc(CNc2nccnc2C2CC2)c(O)c1 ZINC000902165951 621180882 /nfs/dbraw/zinc/18/08/82/621180882.db2.gz PZAJRMJROMVGGM-UHFFFAOYSA-N 0 0 285.347 3.070 20 10 CGCDRN CC(C)(C)c1coc(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000903313603 621685135 /nfs/dbraw/zinc/68/51/35/621685135.db2.gz UNWQPGKROFXSKS-LBPRGKRZSA-N 0 0 286.375 3.455 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20 10 CGCDRN CN(C)c1ccc(CNC(=O)Nc2ccccc2F)cc1 ZINC000028808735 622609643 /nfs/dbraw/zinc/60/96/43/622609643.db2.gz LLADRRMRWHOYQE-UHFFFAOYSA-N 0 0 287.338 3.213 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(C)cn2)cc1 ZINC000151209515 622751382 /nfs/dbraw/zinc/75/13/82/622751382.db2.gz VNQQBJAJRZWOBM-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN Cc1cc(C)c(O)c(CN(C)Cc2nccn2C(F)F)c1 ZINC000163899455 622807196 /nfs/dbraw/zinc/80/71/96/622807196.db2.gz KMMJDOGIZBXTHQ-UHFFFAOYSA-N 0 0 295.333 3.233 20 10 CGCDRN CC(C)(C)c1cnc(SCC(=O)NCC2CCC2)s1 ZINC000163992177 622811112 /nfs/dbraw/zinc/81/11/12/622811112.db2.gz SIYTXBYVBBJUIW-UHFFFAOYSA-N 0 0 298.477 3.449 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C2CC2)C2CC2)c1 ZINC000156440584 622818347 /nfs/dbraw/zinc/81/83/47/622818347.db2.gz BHAQBTFOQSMWJV-JTQLQIEISA-N 0 0 289.375 3.014 20 10 CGCDRN CC(C)[C@H](Sc1ncc(C(C)(C)C)s1)C(N)=O ZINC000164233993 622821826 /nfs/dbraw/zinc/82/18/26/622821826.db2.gz FFJQENXTKQMLHH-VIFPVBQESA-N 0 0 272.439 3.043 20 10 CGCDRN CCCN(Cc1cc(C)cc(C)c1O)CC(F)F ZINC000164238275 622821860 /nfs/dbraw/zinc/82/18/60/622821860.db2.gz NNFUEGFDANQHCB-UHFFFAOYSA-N 0 0 257.324 3.486 20 10 CGCDRN CN(C(=O)[C@@H]1CCc2ccccc2C1)c1ccc(N)cc1 ZINC000223345898 622857850 /nfs/dbraw/zinc/85/78/50/622857850.db2.gz XMQZWFSHPGZNJY-OAHLLOKOSA-N 0 0 280.371 3.037 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N(C)CC2CCCC2)cc1 ZINC000058213529 622910053 /nfs/dbraw/zinc/91/00/53/622910053.db2.gz FUKMUDPKUXGRLD-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN CCC(CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058768605 622954825 /nfs/dbraw/zinc/95/48/25/622954825.db2.gz VIIYPYGNDFHHDA-UHFFFAOYSA-N 0 0 274.408 3.121 20 10 CGCDRN C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(F)cc1[O-] ZINC000087088660 623022043 /nfs/dbraw/zinc/02/20/43/623022043.db2.gz MPCLJYVTJCQDHV-LBPRGKRZSA-N 0 0 281.371 3.267 20 10 CGCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)C(C)C ZINC000062428146 623233853 /nfs/dbraw/zinc/23/38/53/623233853.db2.gz IMEJWTMQWWEQII-AWEZNQCLSA-N 0 0 291.439 3.329 20 10 CGCDRN CCC[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000128173906 623527785 /nfs/dbraw/zinc/52/77/85/623527785.db2.gz DIPCXRIPDFIYMU-LLVKDONJSA-N 0 0 269.772 3.047 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1C ZINC000914506805 623816874 /nfs/dbraw/zinc/81/68/74/623816874.db2.gz UBMUGOKUGPMXCI-XJKSGUPXSA-N 0 0 274.408 3.146 20 10 CGCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1cccc(C)c1C ZINC000914529874 623820243 /nfs/dbraw/zinc/82/02/43/623820243.db2.gz ZHHWICMFDKWVJP-KTKRTIGZSA-N 0 0 283.375 3.103 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2(C)C)c2c1c(F)ccc2O ZINC000834874122 623832620 /nfs/dbraw/zinc/83/26/20/623832620.db2.gz BHRCPRNDDXQXIO-CDMKHQONSA-N 0 0 279.355 3.237 20 10 CGCDRN CN(C)c1ccc(-c2nc3cc(F)ccc3n2C)cc1 ZINC000917261080 624255152 /nfs/dbraw/zinc/25/51/52/624255152.db2.gz WEVOCXBNYAOPOO-UHFFFAOYSA-N 0 0 269.323 3.445 20 10 CGCDRN CC1(CNC(=O)NCCCSc2nccs2)CCC1 ZINC000154349123 624258009 /nfs/dbraw/zinc/25/80/09/624258009.db2.gz WAGHWYJMYVVJOC-UHFFFAOYSA-N 0 0 299.465 3.115 20 10 CGCDRN CCN(CC)c1ccc(CNC(=S)NCC(C)C)cc1 ZINC000917576332 624290475 /nfs/dbraw/zinc/29/04/75/624290475.db2.gz UTOORXYFYLNDOZ-UHFFFAOYSA-N 0 0 293.480 3.153 20 10 CGCDRN CC(C)CN(Cc1ccccc1O)CC(F)(F)F ZINC000179561108 624666609 /nfs/dbraw/zinc/66/66/09/624666609.db2.gz MAHZYIRSMHTFTL-UHFFFAOYSA-N 0 0 261.287 3.413 20 10 CGCDRN COc1ccc(O)c(CN(CC(C)C)CC(F)(F)F)c1 ZINC000179775323 624683132 /nfs/dbraw/zinc/68/31/32/624683132.db2.gz AFSIGJUVTHNVDJ-UHFFFAOYSA-N 0 0 291.313 3.421 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000179797305 624685808 /nfs/dbraw/zinc/68/58/08/624685808.db2.gz VTFBFRPOZJQSQO-UHFFFAOYSA-N 0 0 284.743 3.328 20 10 CGCDRN Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000237966895 624711904 /nfs/dbraw/zinc/71/19/04/624711904.db2.gz JNGQDTHBQLOOKV-UHFFFAOYSA-N 0 0 284.334 3.468 20 10 CGCDRN Cc1ccc2ncc(CN(C)c3ccc4c(c3)OCO4)n2c1 ZINC000180759927 624769708 /nfs/dbraw/zinc/76/97/08/624769708.db2.gz UEJYAMVVIBSRPB-UHFFFAOYSA-N 0 0 295.342 3.008 20 10 CGCDRN CCCCCSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000180737751 624770237 /nfs/dbraw/zinc/77/02/37/624770237.db2.gz JMCSJTRIHIJWPF-UHFFFAOYSA-N 0 0 294.464 3.292 20 10 CGCDRN CCCN(Cc1nccn1CC)Cc1ccccc1O ZINC000068973544 624772750 /nfs/dbraw/zinc/77/27/50/624772750.db2.gz RIAMIPGVZQBYFA-UHFFFAOYSA-N 0 0 273.380 3.021 20 10 CGCDRN CC(C)CC(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181172254 624817857 /nfs/dbraw/zinc/81/78/57/624817857.db2.gz TUJYOTCFDAJZHK-SOFGYWHQSA-N 0 0 291.391 3.300 20 10 CGCDRN CCNC(=O)c1cccc(NCc2cc(C)ccc2O)c1 ZINC000071407293 625086254 /nfs/dbraw/zinc/08/62/54/625086254.db2.gz IKEOOPOBMXQROX-UHFFFAOYSA-N 0 0 284.359 3.062 20 10 CGCDRN CC(C)CC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186396939 625802323 /nfs/dbraw/zinc/80/23/23/625802323.db2.gz CBXGXKJUTHROTL-LBPRGKRZSA-N 0 0 293.407 3.217 20 10 CGCDRN C[C@@H]1C[C@H](NCc2ccc3c(c2)CCCO3)c2nccn21 ZINC000922163421 625977403 /nfs/dbraw/zinc/97/74/03/625977403.db2.gz ACBQIOIYBXIBDS-DOMZBBRYSA-N 0 0 283.375 3.004 20 10 CGCDRN CCN(CC)c1ccc(CNc2ncccc2CO)cc1 ZINC000922291483 625993739 /nfs/dbraw/zinc/99/37/39/625993739.db2.gz YRAHRWYGKFXEHY-UHFFFAOYSA-N 0 0 285.391 3.032 20 10 CGCDRN Cc1ccc(O)c(CN[C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922519633 626010819 /nfs/dbraw/zinc/01/08/19/626010819.db2.gz FIKHWYCAVKDPTA-YOEHRIQHSA-N 0 0 287.334 3.262 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000922833528 626052593 /nfs/dbraw/zinc/05/25/93/626052593.db2.gz IYRAXVCJCVSURD-GZMMTYOYSA-N 0 0 273.348 3.044 20 10 CGCDRN C[C@H](CCCc1cccnc1)[NH2+]Cc1cc(F)ccc1O ZINC000839149024 626317420 /nfs/dbraw/zinc/31/74/20/626317420.db2.gz BDDBQMRJYMCMQV-CYBMUJFWSA-N 0 0 288.366 3.427 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839147782 626317491 /nfs/dbraw/zinc/31/74/91/626317491.db2.gz RGUQTWDCOYGZNI-TXEJJXNPSA-N 0 0 287.762 3.230 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000808094842 626358950 /nfs/dbraw/zinc/35/89/50/626358950.db2.gz GKLZONOKGSHGFK-QWHCGFSZSA-N 0 0 296.407 3.320 20 10 CGCDRN C/C=C(\C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752086518 626418248 /nfs/dbraw/zinc/41/82/48/626418248.db2.gz LMRRXQNGSOZFBR-QLKAYGNNSA-N 0 0 285.343 3.480 20 10 CGCDRN COc1ccc(N(C)Cc2sc(C)nc2C)c(OC)c1 ZINC000752123058 626419358 /nfs/dbraw/zinc/41/93/58/626419358.db2.gz PEAMNERJSXVNMK-UHFFFAOYSA-N 0 0 292.404 3.414 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(C)CC1 ZINC000753024860 626443989 /nfs/dbraw/zinc/44/39/89/626443989.db2.gz RTIHNCKCMDTFKC-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN CCc1cnc(CN(C)c2ccc(OC)c(F)c2)s1 ZINC000753571562 626455834 /nfs/dbraw/zinc/45/58/34/626455834.db2.gz UZBOKDSFAHLLBZ-UHFFFAOYSA-N 0 0 280.368 3.490 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](C)CCC(=O)[O-])cc1 ZINC000756313756 626691705 /nfs/dbraw/zinc/69/17/05/626691705.db2.gz WBLIXUKSHXKGME-CQSZACIVSA-N 0 0 292.423 3.123 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2CCCC2)c1 ZINC000756371891 626697626 /nfs/dbraw/zinc/69/76/26/626697626.db2.gz PDYWQYSIEWRWAT-GFCCVEGCSA-N 0 0 291.391 3.410 20 10 CGCDRN Cc1nc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000756434183 626705803 /nfs/dbraw/zinc/70/58/03/626705803.db2.gz JFDCHQBSIQFNLW-ZETCQYMHSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@H]([NH2+]CC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756462757 626707674 /nfs/dbraw/zinc/70/76/74/626707674.db2.gz ZSZVELLGOGPXEJ-JTQLQIEISA-N 0 0 264.325 3.141 20 10 CGCDRN CCN(CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756527101 626712590 /nfs/dbraw/zinc/71/25/90/626712590.db2.gz WKQXOSDGHMDNLA-LLVKDONJSA-N 0 0 286.366 3.051 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000756595915 626719021 /nfs/dbraw/zinc/71/90/21/626719021.db2.gz ZYFDTRIAPSBGAB-SDBXPKJASA-N 0 0 299.342 3.116 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC000756656379 626725581 /nfs/dbraw/zinc/72/55/81/626725581.db2.gz WQLCXNYWYUHTDC-ZJUUUORDSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000756711167 626727287 /nfs/dbraw/zinc/72/72/87/626727287.db2.gz JFVYUPGAKWJBBI-BDAKNGLRSA-N 0 0 255.308 3.367 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(F)cc(F)c1[O-] ZINC000756757911 626730102 /nfs/dbraw/zinc/73/01/02/626730102.db2.gz DQYSFCRZYKIOGM-SDBXPKJASA-N 0 0 293.317 3.122 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(F)n1)c1cc(F)cc(F)c1[O-] ZINC000756769183 626730475 /nfs/dbraw/zinc/73/04/75/626730475.db2.gz OQRATXOROSNMFK-QMMMGPOBSA-N 0 0 282.265 3.055 20 10 CGCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756785273 626732122 /nfs/dbraw/zinc/73/21/22/626732122.db2.gz CFBFJEFINCNXJY-UQFNBPPOSA-N 0 0 293.382 3.484 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCc2ccccc2CC1 ZINC000839785150 626788666 /nfs/dbraw/zinc/78/86/66/626788666.db2.gz BCHSUNDRHVFUNF-UHFFFAOYSA-N 0 0 287.384 3.085 20 10 CGCDRN O=C1NC(=S)S/C1=C/C=C\c1ccc(F)cc1F ZINC000758015726 626821335 /nfs/dbraw/zinc/82/13/35/626821335.db2.gz AOAIOXGMLXDEMX-ACMIUEAZSA-N 0 0 283.324 3.010 20 10 CGCDRN C[C@@H]1C[C@@H](C)N(C(=O)NCCCSc2nccs2)C1 ZINC000759602446 626908583 /nfs/dbraw/zinc/90/85/83/626908583.db2.gz VHPQAWOBHUXNCF-GHMZBOCLSA-N 0 0 299.465 3.065 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC23CCCC3)c1 ZINC000760040382 626937246 /nfs/dbraw/zinc/93/72/46/626937246.db2.gz JWIWISKFOIYEGQ-ABAIWWIYSA-N 0 0 289.375 3.162 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CC1(C)CC1 ZINC000760439642 626970163 /nfs/dbraw/zinc/97/01/63/626970163.db2.gz FNVHAFZSIUXMNT-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCc2c3ccccc3[nH]c2C1 ZINC000760877575 626999107 /nfs/dbraw/zinc/99/91/07/626999107.db2.gz XYTHVMDXORCJTB-UHFFFAOYSA-N 0 0 298.367 3.134 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(F)c(Cl)c1F ZINC000761072460 627012607 /nfs/dbraw/zinc/01/26/07/627012607.db2.gz TVCGODFANDYVPQ-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN CCc1cnc(CN(C)c2ccc(OC)c(OC)c2)s1 ZINC000761220462 627025913 /nfs/dbraw/zinc/02/59/13/627025913.db2.gz DLMLSWQOHATELJ-UHFFFAOYSA-N 0 0 292.404 3.359 20 10 CGCDRN COCCC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000761867375 627064876 /nfs/dbraw/zinc/06/48/76/627064876.db2.gz YBXLLFTXUUQGRO-UHFFFAOYSA-N 0 0 273.423 3.138 20 10 CGCDRN Oc1cccc(Cl)c1CNc1ccc(C2CC2)nn1 ZINC000762652439 627119181 /nfs/dbraw/zinc/11/91/81/627119181.db2.gz PJKYQXKZWHUAJA-UHFFFAOYSA-N 0 0 275.739 3.325 20 10 CGCDRN Nc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000020475803 634557578 /nfs/dbraw/zinc/55/75/78/634557578.db2.gz NJPUCYZRJDOVMX-UHFFFAOYSA-N 0 0 278.258 3.123 20 10 CGCDRN CCOC(=O)[C@@H](CC)Sc1ncc(Cl)s1 ZINC000765043088 627238277 /nfs/dbraw/zinc/23/82/77/627238277.db2.gz AWYBKSCCRHDWTK-ZCFIWIBFSA-N 0 0 265.787 3.230 20 10 CGCDRN CCc1cc(C(=O)NCc2ccccc2O)oc1CC ZINC000767925951 627444047 /nfs/dbraw/zinc/44/40/47/627444047.db2.gz GFTFSRNLBAWWQU-UHFFFAOYSA-N 0 0 273.332 3.040 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCC[C@H]2C(C)C)c(O)c1 ZINC000768317184 627473521 /nfs/dbraw/zinc/47/35/21/627473521.db2.gz GKJZSARWGMQMSN-HNNXBMFYSA-N 0 0 263.381 3.411 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@H](C)OC[C@H]2C)cc1F ZINC000768537102 627485241 /nfs/dbraw/zinc/48/52/41/627485241.db2.gz LRJSOAJWUXXPIF-KGLIPLIRSA-N 0 0 294.414 3.281 20 10 CGCDRN O=C(N[C@@H]1CCCc2sccc21)C1=CC(=O)CS1 ZINC000768729024 627495437 /nfs/dbraw/zinc/49/54/37/627495437.db2.gz HSQZDSIOQXUMRN-SNVBAGLBSA-N 0 0 279.386 3.323 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000768869275 627504810 /nfs/dbraw/zinc/50/48/10/627504810.db2.gz SSUBUUDYRSMOGC-UHFFFAOYSA-N 0 0 282.387 3.017 20 10 CGCDRN CCCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000768916154 627508640 /nfs/dbraw/zinc/50/86/40/627508640.db2.gz UCZSLSOODANAPE-UHFFFAOYSA-N 0 0 277.345 3.495 20 10 CGCDRN CC(=O)N1CCc2c1cccc2NCc1cc(C)ccc1O ZINC000768945778 627510739 /nfs/dbraw/zinc/51/07/39/627510739.db2.gz JPRQIZDTVCSWAT-UHFFFAOYSA-N 0 0 296.370 3.222 20 10 CGCDRN CCc1nc(CN(C)Cc2c(O)cccc2OC)cs1 ZINC000769120258 627523803 /nfs/dbraw/zinc/52/38/03/627523803.db2.gz IWXYBDUKTZYTHQ-UHFFFAOYSA-N 0 0 292.404 3.052 20 10 CGCDRN CCN(CC(=O)OC)Cc1cc(-c2ccccc2)ccc1O ZINC000769317549 627540053 /nfs/dbraw/zinc/54/00/53/627540053.db2.gz RTOVROBEJIRTJM-UHFFFAOYSA-N 0 0 299.370 3.054 20 10 CGCDRN COc1ccc(NCc2cc(Cl)ccc2O)nc1 ZINC000769405584 627549553 /nfs/dbraw/zinc/54/95/53/627549553.db2.gz IVLIYMUNPYNYDI-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(C)ccc1O ZINC000769424739 627551057 /nfs/dbraw/zinc/55/10/57/627551057.db2.gz UVQKORMWIKBTIF-QGZVFWFLSA-N 0 0 299.370 3.047 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(-n2ccnc2)cc1 ZINC000770408501 627617693 /nfs/dbraw/zinc/61/76/93/627617693.db2.gz NLNBRHYRPOBRTI-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(C)c1)CC2 ZINC000772095201 627761989 /nfs/dbraw/zinc/76/19/89/627761989.db2.gz UMNIAAOAIALMNT-XQRVVYSFSA-N 0 0 278.355 3.301 20 10 CGCDRN COc1cc(C)nc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772294602 627781969 /nfs/dbraw/zinc/78/19/69/627781969.db2.gz BLYWUWVZVAJAIO-LBPRGKRZSA-N 0 0 286.379 3.033 20 10 CGCDRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000772917887 627832416 /nfs/dbraw/zinc/83/24/16/627832416.db2.gz ZCTRBDXKGFOUQM-PWSUYJOCSA-N 0 0 267.394 3.495 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772998628 627839549 /nfs/dbraw/zinc/83/95/49/627839549.db2.gz JYBXBUINAKCGAL-ACJLOTCBSA-N 0 0 294.398 3.270 20 10 CGCDRN CC(C)[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773017190 627843347 /nfs/dbraw/zinc/84/33/47/627843347.db2.gz UPZJIPXLFREDEW-QWHCGFSZSA-N 0 0 262.397 3.222 20 10 CGCDRN CCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773129697 627860242 /nfs/dbraw/zinc/86/02/42/627860242.db2.gz NWULYOJTQONSDW-OLZOCXBDSA-N 0 0 277.412 3.301 20 10 CGCDRN C[C@@H](NC(=O)N1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773616359 627900724 /nfs/dbraw/zinc/90/07/24/627900724.db2.gz JQIPOICGGBYRKI-CQSZACIVSA-N 0 0 289.423 3.255 20 10 CGCDRN C[C@H](NC(=O)N1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000773616358 627900911 /nfs/dbraw/zinc/90/09/11/627900911.db2.gz JQIPOICGGBYRKI-AWEZNQCLSA-N 0 0 289.423 3.255 20 10 CGCDRN CCCCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773626529 627901330 /nfs/dbraw/zinc/90/13/30/627901330.db2.gz NPTNAKVGIQFETR-ZDUSSCGKSA-N 0 0 277.412 3.255 20 10 CGCDRN CCC(CC)(CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773761264 627912047 /nfs/dbraw/zinc/91/20/47/627912047.db2.gz PPIVHHKKOHVRPC-GFCCVEGCSA-N 0 0 293.407 3.361 20 10 CGCDRN Cc1c(NCc2cc(C)ccc2O)cnn1CC(C)C ZINC000774823995 628035126 /nfs/dbraw/zinc/03/51/26/628035126.db2.gz QVAHFLIRLREZDT-UHFFFAOYSA-N 0 0 273.380 3.474 20 10 CGCDRN COc1c(O)c(CNc2ccccc2F)ccc1[N+](=O)[O-] ZINC000774927529 628050168 /nfs/dbraw/zinc/05/01/68/628050168.db2.gz HNXMIJCQPIKSRH-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN COc1c([O-])c(C[NH2+][C@H](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000774943998 628050694 /nfs/dbraw/zinc/05/06/94/628050694.db2.gz ZCSKVJPPFGXJKH-LLVKDONJSA-N 0 0 296.367 3.223 20 10 CGCDRN C[C@H](NC(=O)/C=C/c1cccnc1)c1ccc(N(C)C)cc1 ZINC000775409350 628091993 /nfs/dbraw/zinc/09/19/93/628091993.db2.gz FPIKFBBKPNBSBI-MUAYPFOZSA-N 0 0 295.386 3.038 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1cc(Cl)ccc1O ZINC000775492214 628100133 /nfs/dbraw/zinc/10/01/33/628100133.db2.gz NLVSDYVQBZJPIK-OCCSQVGLSA-N 0 0 285.815 3.493 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000775649215 628119387 /nfs/dbraw/zinc/11/93/87/628119387.db2.gz MSRRABACCOMOBD-JTQLQIEISA-N 0 0 299.773 3.186 20 10 CGCDRN CCCN(CC(=O)OCC)Cc1cc(Cl)cc(C)c1O ZINC000775663543 628121869 /nfs/dbraw/zinc/12/18/69/628121869.db2.gz MUGQLJOEVGTNQX-UHFFFAOYSA-N 0 0 299.798 3.129 20 10 CGCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775678921 628124923 /nfs/dbraw/zinc/12/49/23/628124923.db2.gz ZMJMNQAZRDIIFN-CYBMUJFWSA-N 0 0 298.390 3.339 20 10 CGCDRN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775689752 628126625 /nfs/dbraw/zinc/12/66/25/628126625.db2.gz IHMIMHFRPKMAOQ-SNVBAGLBSA-N 0 0 287.762 3.043 20 10 CGCDRN CCOc1ccc(CNc2ccc(C)cn2)c(O)c1 ZINC000776031142 628160523 /nfs/dbraw/zinc/16/05/23/628160523.db2.gz BJBPMJGJUUVGBW-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776219514 628181339 /nfs/dbraw/zinc/18/13/39/628181339.db2.gz OTFPZABMZRKCNA-BXKDBHETSA-N 0 0 289.778 3.071 20 10 CGCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776253146 628185329 /nfs/dbraw/zinc/18/53/29/628185329.db2.gz SOTNXNZYGZPIAW-NSHDSACASA-N 0 0 287.762 3.232 20 10 CGCDRN Cc1ccc2c(c1)N(Cc1ccccc1O)C[C@H](C)O2 ZINC000776526824 628217150 /nfs/dbraw/zinc/21/71/50/628217150.db2.gz RBIDBFSWWXXWDX-ZDUSSCGKSA-N 0 0 269.344 3.488 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C3CC3)s2)cc1C ZINC000777507000 628276697 /nfs/dbraw/zinc/27/66/97/628276697.db2.gz LLOVMGPHRYWZMB-UHFFFAOYSA-N 0 0 275.377 3.350 20 10 CGCDRN CCc1cc(NCc2ccc(N(C)C)c(F)c2)no1 ZINC000777520992 628278169 /nfs/dbraw/zinc/27/81/69/628278169.db2.gz YQTWNVCGJYAQRL-UHFFFAOYSA-N 0 0 263.316 3.054 20 10 CGCDRN CC(C)Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778916282 628378055 /nfs/dbraw/zinc/37/80/55/628378055.db2.gz AROWGMIGGOLSNQ-UHFFFAOYSA-N 0 0 299.370 3.226 20 10 CGCDRN COC(=O)c1cc(NCc2ccccc2O)ccc1C ZINC000779157158 628391840 /nfs/dbraw/zinc/39/18/40/628391840.db2.gz HKITYHUVBVUOBG-UHFFFAOYSA-N 0 0 271.316 3.099 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779544215 628416594 /nfs/dbraw/zinc/41/65/94/628416594.db2.gz IYIVTTGZQXOCCR-DAXSKMNVSA-N 0 0 295.338 3.009 20 10 CGCDRN CN(Cc1cccc(Cl)c1O)c1ccc2c(c1)OCO2 ZINC000780778883 628516664 /nfs/dbraw/zinc/51/66/64/628516664.db2.gz WDZGCTULQVSUGM-UHFFFAOYSA-N 0 0 291.734 3.411 20 10 CGCDRN Cc1cc(O)c(CN(C)c2ccc3c(c2)OCO3)cc1C ZINC000780778705 628516797 /nfs/dbraw/zinc/51/67/97/628516797.db2.gz PCFBHSMLFZFUSH-UHFFFAOYSA-N 0 0 285.343 3.374 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCO[C@@H](C)C2)cc1F ZINC000780779614 628516914 /nfs/dbraw/zinc/51/69/14/628516914.db2.gz PICVDYDJYGFLNW-RYUDHWBXSA-N 0 0 267.344 3.086 20 10 CGCDRN Cc1ccc(C(=O)N2CCCc3c(C)cccc32)c(O)c1O ZINC000780944998 628525565 /nfs/dbraw/zinc/52/55/65/628525565.db2.gz ZEWVXNSSJXSKMH-UHFFFAOYSA-N 0 0 297.354 3.308 20 10 CGCDRN Cc1ccc([C@@H](C)CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780947769 628525676 /nfs/dbraw/zinc/52/56/76/628525676.db2.gz OIFASLDPHLUMFV-ZDUSSCGKSA-N 0 0 299.370 3.248 20 10 CGCDRN CC/C(C)=C(/C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000780984723 628528446 /nfs/dbraw/zinc/52/84/46/628528446.db2.gz MVGIFHULVSCZID-WEHUKYGOSA-N 0 0 277.364 3.324 20 10 CGCDRN COCCn1c(C)c(C)c2cc(C(=O)OC3CC3)ccc21 ZINC000783189730 628685135 /nfs/dbraw/zinc/68/51/35/628685135.db2.gz HOFHCJINXOBHHC-UHFFFAOYSA-N 0 0 287.359 3.224 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783306731 628702014 /nfs/dbraw/zinc/70/20/14/628702014.db2.gz MAZURNLXUMZCKO-OUAUKWLOSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@H](Nc1cccc2c1OCO2)c1ccccc1O ZINC000783532947 628722470 /nfs/dbraw/zinc/72/24/70/628722470.db2.gz KTXIHICJFCGVBD-JTQLQIEISA-N 0 0 257.289 3.294 20 10 CGCDRN C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccccc1O ZINC000783532841 628722799 /nfs/dbraw/zinc/72/27/99/628722799.db2.gz WMBZJTFVVKZQNR-JSGCOSHPSA-N 0 0 296.370 3.169 20 10 CGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1cnccc1C ZINC000784043591 628771465 /nfs/dbraw/zinc/77/14/65/628771465.db2.gz CLOPCCIETFIHQF-GQCTYLIASA-N 0 0 294.354 3.137 20 10 CGCDRN COC(=O)COc1ccc(N(C)Cc2ccccc2C)cc1 ZINC000784553610 628821348 /nfs/dbraw/zinc/82/13/48/628821348.db2.gz HNRNBWMAJNYFQL-UHFFFAOYSA-N 0 0 299.370 3.183 20 10 CGCDRN CO[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1C ZINC000784666969 628828192 /nfs/dbraw/zinc/82/81/92/628828192.db2.gz CNEXOBMWKOKPHT-ZANVPECISA-N 0 0 287.762 3.042 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3ccc(=O)n(C)c3c2)c1 ZINC000785534048 628869732 /nfs/dbraw/zinc/86/97/32/628869732.db2.gz HCARZHJKGLZVDP-UHFFFAOYSA-N 0 0 294.354 3.165 20 10 CGCDRN CON(Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000785797253 628888828 /nfs/dbraw/zinc/88/88/28/628888828.db2.gz NTHHCBGKZOYQAA-UHFFFAOYSA-N 0 0 270.376 3.316 20 10 CGCDRN Cc1cccc(C)c1NC(=O)COc1ccc(N(C)C)cc1 ZINC000786877664 628968037 /nfs/dbraw/zinc/96/80/37/628968037.db2.gz SNSZLXOTTYMPBZ-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN C[C@@H](NC(=O)NC1CCC(F)(F)CC1)c1ccccc1O ZINC000875432376 634699124 /nfs/dbraw/zinc/69/91/24/634699124.db2.gz FFQSMESTZNKZNK-SNVBAGLBSA-N 0 0 298.333 3.330 20 10 CGCDRN CCc1cccc(COC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000787748193 629027102 /nfs/dbraw/zinc/02/71/02/629027102.db2.gz ORLDXWPMRIXVQI-CLFYSBASSA-N 0 0 298.338 3.417 20 10 CGCDRN CN(C)c1ccc(OCc2ccc(Cl)cn2)cc1 ZINC000787905626 629034455 /nfs/dbraw/zinc/03/44/55/629034455.db2.gz JCACYCCWAXOFBZ-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN COC[C@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788562332 629064865 /nfs/dbraw/zinc/06/48/65/629064865.db2.gz GVZXHDMRTGLRBF-NXEZZACHSA-N 0 0 291.313 3.344 20 10 CGCDRN CCC[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788593483 629067556 /nfs/dbraw/zinc/06/75/56/629067556.db2.gz PXYATITUTQIQEA-ZJUUUORDSA-N 0 0 291.313 3.223 20 10 CGCDRN CC[C@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788604579 629068370 /nfs/dbraw/zinc/06/83/70/629068370.db2.gz UNQHKIFHGCVUCH-NXEZZACHSA-N 0 0 291.313 3.223 20 10 CGCDRN C[C@H]([NH2+]CCC(C)(C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000788753603 629078710 /nfs/dbraw/zinc/07/87/10/629078710.db2.gz LRDYTBDRNZPOHI-VIFPVBQESA-N 0 0 291.313 3.223 20 10 CGCDRN CCN(CC)c1ccc(CNC(=S)NC2(C)CC2)cc1 ZINC000789194085 629111951 /nfs/dbraw/zinc/11/19/51/629111951.db2.gz OKQPEVZIQDTPEB-UHFFFAOYSA-N 0 0 291.464 3.049 20 10 CGCDRN CC1(C)Cc2cccc(NC(=O)c3cccc(O)c3O)c2O1 ZINC000789882584 629172041 /nfs/dbraw/zinc/17/20/41/629172041.db2.gz TUZGNFMWQVTWRJ-UHFFFAOYSA-N 0 0 299.326 3.064 20 10 CGCDRN Cn1ncc(NCc2c(O)ccc(Cl)c2F)c1C1CC1 ZINC000790990862 629247621 /nfs/dbraw/zinc/24/76/21/629247621.db2.gz MNKYVCNNXTZCME-UHFFFAOYSA-N 0 0 295.745 3.408 20 10 CGCDRN Cc1c[nH]c(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000862210309 629322768 /nfs/dbraw/zinc/32/27/68/629322768.db2.gz HODYQDKAEDVBDR-UHFFFAOYSA-N 0 0 298.434 3.340 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccnc(F)c1C ZINC000862304476 629343007 /nfs/dbraw/zinc/34/30/07/629343007.db2.gz OVYRLXCOPOOWNJ-UHFFFAOYSA-N 0 0 286.350 3.491 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2=CC[C@@H](C)CC2)c1 ZINC000862754658 629428957 /nfs/dbraw/zinc/42/89/57/629428957.db2.gz IFAIACRRGATROI-LLVKDONJSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](C)c2ccco2)c1 ZINC000862753761 629429070 /nfs/dbraw/zinc/42/90/70/629429070.db2.gz GRJRRMTYPXTYGQ-GFCCVEGCSA-N 0 0 273.332 3.104 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C/C2CCCC2)c1 ZINC000862754743 629429077 /nfs/dbraw/zinc/42/90/77/629429077.db2.gz IUQCKQDHQRWYSF-VQHVLOKHSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000862757408 629429971 /nfs/dbraw/zinc/42/99/71/629429971.db2.gz SVKQMJXCLKLQMF-CHWSQXEVSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC3CCC2CC3)c1 ZINC000862755080 629430023 /nfs/dbraw/zinc/43/00/23/629430023.db2.gz BTPYHJKBRJSWEO-SSDMNJCBSA-N 0 0 273.376 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C\C2CCCCC2)c1 ZINC000862759880 629430536 /nfs/dbraw/zinc/43/05/36/629430536.db2.gz JPZSFOAIFQSLQH-NTMALXAHSA-N 0 0 273.376 3.453 20 10 CGCDRN CCc1ccc(CC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862760543 629431508 /nfs/dbraw/zinc/43/15/08/629431508.db2.gz UVUGZQRHFNZDKT-UHFFFAOYSA-N 0 0 283.371 3.122 20 10 CGCDRN CCOc1ccc(O)c(CNc2cccc3c2CCO3)c1 ZINC000793326611 629443554 /nfs/dbraw/zinc/44/35/54/629443554.db2.gz TYLBSYISMQAOHM-UHFFFAOYSA-N 0 0 285.343 3.338 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccc(O)c(O)c2)cc1C ZINC000119132687 629445070 /nfs/dbraw/zinc/44/50/70/629445070.db2.gz LCDBEWNZXKHYBP-UHFFFAOYSA-N 0 0 286.331 3.036 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H](C)CC2CCCC2)c(O)c1 ZINC000794377466 629537836 /nfs/dbraw/zinc/53/78/36/629537836.db2.gz OHIQYVTWSYGQJL-LBPRGKRZSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC000794387060 629538521 /nfs/dbraw/zinc/53/85/21/629538521.db2.gz CMSLGRBUQKWWDV-RYUDHWBXSA-N 0 0 291.391 3.089 20 10 CGCDRN Cc1ncc(CSc2ncc(-c3ccccc3)n2C)cn1 ZINC000794783805 629576609 /nfs/dbraw/zinc/57/66/09/629576609.db2.gz JFJHOIPXRFNHHR-UHFFFAOYSA-N 0 0 296.399 3.478 20 10 CGCDRN COc1ccc(CNc2cccc(F)c2[N+](=O)[O-])c(O)c1 ZINC000795285893 629657550 /nfs/dbraw/zinc/65/75/50/629657550.db2.gz VDMJXVBPANOFSC-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN COc1ccc(NCc2cc(OC)ccc2O)c(F)c1 ZINC000864042602 629736429 /nfs/dbraw/zinc/73/64/29/629736429.db2.gz VLAWLIBNKPYIEF-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000796698194 629816739 /nfs/dbraw/zinc/81/67/39/629816739.db2.gz WQUUWPRRAMDZJD-XJKSGUPXSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000796762385 629828793 /nfs/dbraw/zinc/82/87/93/629828793.db2.gz OXHGFWDODFFVKD-ZBFHGGJFSA-N 0 0 292.398 3.056 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000796778390 629831750 /nfs/dbraw/zinc/83/17/50/629831750.db2.gz KYZCTUPOBDFTOU-KYOSRNDESA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(F)cc1[O-] ZINC000796793265 629836087 /nfs/dbraw/zinc/83/60/87/629836087.db2.gz REDXWLCEPZTOLT-UKRRQHHQSA-N 0 0 267.344 3.141 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(F)cc1[O-] ZINC000796945351 629863317 /nfs/dbraw/zinc/86/33/17/629863317.db2.gz PMFNPCCVXLYELL-ZIAGYGMSSA-N 0 0 295.379 3.367 20 10 CGCDRN Cc1cc(CN(C)c2ccc3c(c2)OCO3)cc(Cl)n1 ZINC000797601533 629968672 /nfs/dbraw/zinc/96/86/72/629968672.db2.gz VIJMMBYONGQOLP-UHFFFAOYSA-N 0 0 290.750 3.409 20 10 CGCDRN O=C(N[C@H]1C[C@H](c2ccccc2F)C1)C1=CC(=O)CS1 ZINC000798121917 630025193 /nfs/dbraw/zinc/02/51/93/630025193.db2.gz LFGFVXCPRRZELI-MGCOHNPYSA-N 0 0 291.347 3.269 20 10 CGCDRN Cc1ccc2c(c1)/C(=C/c1cn(C3CC3)cn1)C(=O)N2C ZINC000865223545 630029457 /nfs/dbraw/zinc/02/94/57/630029457.db2.gz JRMJYMKCGUIBGV-NVNXTCNLSA-N 0 0 279.343 3.043 20 10 CGCDRN C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798184609 630031804 /nfs/dbraw/zinc/03/18/04/630031804.db2.gz YVECWROBDSGSGF-UWVGGRQHSA-N 0 0 291.313 3.080 20 10 CGCDRN C[C@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798184608 630032031 /nfs/dbraw/zinc/03/20/31/630032031.db2.gz YVECWROBDSGSGF-NXEZZACHSA-N 0 0 291.313 3.080 20 10 CGCDRN C[C@H](O)CCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000798196627 630032321 /nfs/dbraw/zinc/03/23/21/630032321.db2.gz LQFUPJWGVKFGOZ-JTQLQIEISA-N 0 0 289.297 3.109 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[C@H]2C)c1 ZINC000798937063 630127806 /nfs/dbraw/zinc/12/78/06/630127806.db2.gz JPGPDNWGCYODHR-MBNYWOFBSA-N 0 0 291.391 3.266 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000798965470 630131561 /nfs/dbraw/zinc/13/15/61/630131561.db2.gz YBDKOJUHNIWMKB-JTQLQIEISA-N 0 0 287.762 3.186 20 10 CGCDRN CC(C)c1ncsc1NC(=O)NCc1ccccc1O ZINC000836740616 634796199 /nfs/dbraw/zinc/79/61/99/634796199.db2.gz UXDBBADMYQGBBS-UHFFFAOYSA-N 0 0 291.376 3.294 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCOCC(C)C ZINC000800330359 630265650 /nfs/dbraw/zinc/26/56/50/630265650.db2.gz VMFYRPAFMXRKGP-UHFFFAOYSA-N 0 0 263.381 3.120 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)C1CC1 ZINC000839920810 630296784 /nfs/dbraw/zinc/29/67/84/630296784.db2.gz UOTSTOWWKRZYTI-KBPBESRZSA-N 0 0 288.435 3.154 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCC(F)F ZINC000839921899 630297555 /nfs/dbraw/zinc/29/75/55/630297555.db2.gz OGZXDKJDVUGUHO-LBPRGKRZSA-N 0 0 298.377 3.154 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCCCCC1 ZINC000836830348 634810613 /nfs/dbraw/zinc/81/06/13/634810613.db2.gz VWSYTCYCPZQJTE-CSKARUKUSA-N 0 0 289.375 3.198 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806169077 630552463 /nfs/dbraw/zinc/55/24/63/630552463.db2.gz HYIVOPXMQBFQGT-NOZJJQNGSA-N 0 0 264.325 3.140 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC1CCC1 ZINC000808094369 630622035 /nfs/dbraw/zinc/62/20/35/630622035.db2.gz MBDGLDPCAWGBOG-UHFFFAOYSA-N 0 0 282.380 3.074 20 10 CGCDRN CCOc1ccc(CN[C@@H](C2CC2)C(F)(F)F)c(O)c1 ZINC000808438874 630645360 /nfs/dbraw/zinc/64/53/60/630645360.db2.gz QBTRTRKPCMFIBC-ZDUSSCGKSA-N 0 0 289.297 3.221 20 10 CGCDRN CC(=O)C(=O)COc1c(Cl)cc(Cl)c2cccnc21 ZINC000809981848 630824241 /nfs/dbraw/zinc/82/42/41/630824241.db2.gz YVALYZFCARVIAB-UHFFFAOYSA-N 0 0 298.125 3.079 20 10 CGCDRN CCc1nn(C)cc1CN1CCCCc2cc(OC)ccc21 ZINC000811508117 631077627 /nfs/dbraw/zinc/07/76/27/631077627.db2.gz ATWKOVHKRDZTCR-UHFFFAOYSA-N 0 0 299.418 3.334 20 10 CGCDRN CCCN(CC)C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000811520602 631082851 /nfs/dbraw/zinc/08/28/51/631082851.db2.gz RVLJTIJLQVLKRR-LBPRGKRZSA-N 0 0 284.831 3.256 20 10 CGCDRN Oc1cccc(Cl)c1CNc1ccc(Cl)nn1 ZINC000811837469 631125767 /nfs/dbraw/zinc/12/57/67/631125767.db2.gz STTBLJXRPFKCCA-UHFFFAOYSA-N 0 0 270.119 3.101 20 10 CGCDRN O=C(CCCC1CC1)NCCCSc1nccs1 ZINC000812509269 631269476 /nfs/dbraw/zinc/26/94/76/631269476.db2.gz NLOWTHZNFBOIIL-UHFFFAOYSA-N 0 0 284.450 3.322 20 10 CGCDRN Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815595170 631802214 /nfs/dbraw/zinc/80/22/14/631802214.db2.gz JFCUVEKFWFUZJR-VIFPVBQESA-N 0 0 299.296 3.293 20 10 CGCDRN COC1(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000815642177 631810453 /nfs/dbraw/zinc/81/04/53/631810453.db2.gz UOPDGIGTANKHTI-JTQLQIEISA-N 0 0 285.334 3.280 20 10 CGCDRN CCO[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816477591 631987482 /nfs/dbraw/zinc/98/74/82/631987482.db2.gz CSYFLLBWXZLUHX-NSHDSACASA-N 0 0 287.762 3.186 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCCO1 ZINC000816496019 631994480 /nfs/dbraw/zinc/99/44/80/631994480.db2.gz SNCQIGFPJAULIZ-NSHDSACASA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816556161 632011244 /nfs/dbraw/zinc/01/12/44/632011244.db2.gz BMWDSVSFQISLPI-UWVGGRQHSA-N 0 0 287.762 3.089 20 10 CGCDRN OC[C@H]1CN(Cc2cccc(Cl)c2O)c2ccccc21 ZINC000816637074 632029179 /nfs/dbraw/zinc/02/91/79/632029179.db2.gz QYMQNZCBQRXTDS-GFCCVEGCSA-N 0 0 289.762 3.142 20 10 CGCDRN Cc1cc(Br)cc(CNCC(C)(F)F)c1O ZINC000816642677 632030636 /nfs/dbraw/zinc/03/06/36/632030636.db2.gz HMBNXDYQZJCQKH-UHFFFAOYSA-N 0 0 294.139 3.208 20 10 CGCDRN Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cc(C)n1 ZINC000817410518 632141491 /nfs/dbraw/zinc/14/14/91/632141491.db2.gz MQBVNGCCHXVIDO-UHFFFAOYSA-N 0 0 276.767 3.347 20 10 CGCDRN CSCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760671 632222879 /nfs/dbraw/zinc/22/28/79/632222879.db2.gz DRLSZJMYJCGOAI-UHFFFAOYSA-N 0 0 277.389 3.454 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C2CC2)n1 ZINC000817772621 632223812 /nfs/dbraw/zinc/22/38/12/632223812.db2.gz DEZHGAQCMUSAQS-WEVVVXLNSA-N 0 0 296.326 3.022 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942156 632240463 /nfs/dbraw/zinc/24/04/63/632240463.db2.gz XMEFISKATSTVIL-IUCAKERBSA-N 0 0 289.206 3.102 20 10 CGCDRN C[C@@H](NC[C@@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1O ZINC000817953313 632247879 /nfs/dbraw/zinc/24/78/79/632247879.db2.gz ZZANMHNBRXFKJO-BDAKNGLRSA-N 0 0 289.206 3.102 20 10 CGCDRN C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952098 632247957 /nfs/dbraw/zinc/24/79/57/632247957.db2.gz NEIVBXQZJAYNHB-RKDXNWHRSA-N 0 0 289.206 3.102 20 10 CGCDRN Nc1ccc(CCNC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000818544756 632332348 /nfs/dbraw/zinc/33/23/48/632332348.db2.gz MODLLPSODBTWRR-MRXNPFEDSA-N 0 0 294.398 3.048 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CC(C)(C)C[C@@H]2C)cc1OC ZINC000840376235 632399592 /nfs/dbraw/zinc/39/95/92/632399592.db2.gz ZNLCNAPDLOETPO-JTQLQIEISA-N 0 0 294.351 3.237 20 10 CGCDRN C[C@@H](NC(=O)C(F)=C1CCC1)c1ccc(N(C)C)cc1 ZINC000819501754 632475388 /nfs/dbraw/zinc/47/53/88/632475388.db2.gz KPDMETUYDGEBIQ-LLVKDONJSA-N 0 0 276.355 3.337 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000820158917 632579994 /nfs/dbraw/zinc/57/99/94/632579994.db2.gz AWPKTIXSUKEFRV-LBPRGKRZSA-N 0 0 278.396 3.358 20 10 CGCDRN CC1(C)CC[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000820451136 632630367 /nfs/dbraw/zinc/63/03/67/632630367.db2.gz RQZORDUCSRZSGP-FUEXJSSKSA-N 0 0 276.332 3.233 20 10 CGCDRN CC(C)C(NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC000821088354 632725073 /nfs/dbraw/zinc/72/50/73/632725073.db2.gz YKSHKJWNCWNRCL-UHFFFAOYSA-N 0 0 290.367 3.259 20 10 CGCDRN CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822072496 632862602 /nfs/dbraw/zinc/86/26/02/632862602.db2.gz IYVCDPAGDXMYFR-ZWNOBZJWSA-N 0 0 288.351 3.110 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000822227128 632888098 /nfs/dbraw/zinc/88/80/98/632888098.db2.gz WGXXEDXGCKVCOF-GDBMZVCRSA-N 0 0 274.408 3.195 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC2(F)F)cc1 ZINC000822268533 632892248 /nfs/dbraw/zinc/89/22/48/632892248.db2.gz COTWDBPGICJGSC-CQSZACIVSA-N 0 0 296.361 3.146 20 10 CGCDRN Cc1cc(C)nc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000866161649 633014796 /nfs/dbraw/zinc/01/47/96/633014796.db2.gz SNXVYAFXCLXWFT-GFCCVEGCSA-N 0 0 285.347 3.287 20 10 CGCDRN CCc1cc(N[C@H](C)c2ccccc2O)nc(C)n1 ZINC000866239629 633040459 /nfs/dbraw/zinc/04/04/59/633040459.db2.gz WFROVYYQSHANCP-SNVBAGLBSA-N 0 0 257.337 3.226 20 10 CGCDRN CC1=C(C)C[C@](C)(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000822972681 633044494 /nfs/dbraw/zinc/04/44/94/633044494.db2.gz XDDOABINVCEJQF-QGZVFWFLSA-N 0 0 289.375 3.241 20 10 CGCDRN C[C@@H](c1ccco1)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000823283081 633086620 /nfs/dbraw/zinc/08/66/20/633086620.db2.gz KVGROBXVLOIKGX-VIFPVBQESA-N 0 0 277.345 3.413 20 10 CGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C\c2cccnc2)cn1 ZINC000823430568 633103323 /nfs/dbraw/zinc/10/33/23/633103323.db2.gz OIJHSSRIXOXIBM-FPLPWBNLSA-N 0 0 298.390 3.000 20 10 CGCDRN CC(C)[C@H](C)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000823524344 633117009 /nfs/dbraw/zinc/11/70/09/633117009.db2.gz REQZQLVNADSOHA-VIFPVBQESA-N 0 0 253.367 3.103 20 10 CGCDRN CC[C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000823730137 633145956 /nfs/dbraw/zinc/14/59/56/633145956.db2.gz RETKXSZAMWJVAG-HNNXBMFYSA-N 0 0 276.424 3.441 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000866598611 633206930 /nfs/dbraw/zinc/20/69/30/633206930.db2.gz JUIZCEKQYQVICT-LCGIIJARSA-N 0 0 287.403 3.423 20 10 CGCDRN C[C@@]1(F)CCCN(Cc2c(O)cccc2Cl)C1 ZINC000824472838 633249715 /nfs/dbraw/zinc/24/97/15/633249715.db2.gz ZOVSORSOZGCLNQ-CYBMUJFWSA-N 0 0 257.736 3.370 20 10 CGCDRN CCOc1ncc(C)cc1NCc1cccc(OC)c1O ZINC000824522182 633252430 /nfs/dbraw/zinc/25/24/30/633252430.db2.gz RWZGJAUJQFIAGN-UHFFFAOYSA-N 0 0 288.347 3.115 20 10 CGCDRN Cc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000824620648 633265528 /nfs/dbraw/zinc/26/55/28/633265528.db2.gz YCQBSLRECVLQAX-HNNXBMFYSA-N 0 0 285.391 3.017 20 10 CGCDRN Cc1cc(O)c(CNc2cccc([S@@](C)=O)c2)cc1C ZINC000121852030 633270321 /nfs/dbraw/zinc/27/03/21/633270321.db2.gz BSOWCJXSJARIGT-FQEVSTJZSA-N 0 0 289.400 3.359 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)ccc21 ZINC000824676991 633271732 /nfs/dbraw/zinc/27/17/32/633271732.db2.gz ZFEUUFKMVOHADV-USXIJHARSA-N 0 0 298.430 3.121 20 10 CGCDRN CN(C)c1ccc(CNc2cccc([S@](C)=O)c2)cc1 ZINC000121905474 633275804 /nfs/dbraw/zinc/27/58/04/633275804.db2.gz IXZSOIKGPJCFCF-HXUWFJFHSA-N 0 0 288.416 3.102 20 10 CGCDRN CCC(C)(C)NC(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000121941764 633281261 /nfs/dbraw/zinc/28/12/61/633281261.db2.gz PXDGULJAFMKQRR-UHFFFAOYSA-N 0 0 298.814 3.090 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000868115450 633297016 /nfs/dbraw/zinc/29/70/16/633297016.db2.gz YSCZOVGIWJFEGK-AVGNSLFASA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000868115449 633297059 /nfs/dbraw/zinc/29/70/59/633297059.db2.gz YSCZOVGIWJFEGK-AGIUHOORSA-N 0 0 276.380 3.331 20 10 CGCDRN CC[C@@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868139791 633298321 /nfs/dbraw/zinc/29/83/21/633298321.db2.gz FNEJIRQPPBXWMD-GRYCIOLGSA-N 0 0 264.369 3.187 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O ZINC000868143894 633298693 /nfs/dbraw/zinc/29/86/93/633298693.db2.gz ZQFQJZXWSYUGHR-MAZHCROVSA-N 0 0 296.370 3.309 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1O ZINC000868143896 633299381 /nfs/dbraw/zinc/29/93/81/633299381.db2.gz ZQFQJZXWSYUGHR-UHOFOFEASA-N 0 0 296.370 3.309 20 10 CGCDRN CCC(CC)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868220204 633306117 /nfs/dbraw/zinc/30/61/17/633306117.db2.gz YJDGNRFEIGYRHZ-NSHDSACASA-N 0 0 264.369 3.189 20 10 CGCDRN CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868394318 633319888 /nfs/dbraw/zinc/31/98/88/633319888.db2.gz QYJVLANTKFCIEN-OUCADQQQSA-N 0 0 276.380 3.331 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134289 633331788 /nfs/dbraw/zinc/33/17/88/633331788.db2.gz XZWFTCFKCDBMKG-HNNXBMFYSA-N 0 0 299.773 3.187 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000868565852 633336932 /nfs/dbraw/zinc/33/69/32/633336932.db2.gz DFEHFQSUFXOHGU-UPJWGTAASA-N 0 0 276.380 3.189 20 10 CGCDRN COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000825293962 633342516 /nfs/dbraw/zinc/34/25/16/633342516.db2.gz FXCJSAKZBUDGBR-LLVKDONJSA-N 0 0 287.762 3.186 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868696184 633352448 /nfs/dbraw/zinc/35/24/48/633352448.db2.gz MHNUDHUFRZPKQQ-OUCADQQQSA-N 0 0 276.380 3.187 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H](C)CC(F)F)c1ccccc1O ZINC000868734524 633356412 /nfs/dbraw/zinc/35/64/12/633356412.db2.gz VJXOCVRHHKEQFU-VHSXEESVSA-N 0 0 286.322 3.044 20 10 CGCDRN C[C@@H](NC(=O)NCC[C@]1(C)CC1(F)F)c1ccccc1O ZINC000868776443 633361812 /nfs/dbraw/zinc/36/18/12/633361812.db2.gz HWYPTVXLJJBKLP-QMTHXVAHSA-N 0 0 298.333 3.188 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1C(C)(C)C1(F)F)c1ccccc1O ZINC000868784983 633362580 /nfs/dbraw/zinc/36/25/80/633362580.db2.gz UKENRKZEOFTBRA-SKDRFNHKSA-N 0 0 298.333 3.044 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCCC12CC2)c1ccccc1O ZINC000868848604 633371307 /nfs/dbraw/zinc/37/13/07/633371307.db2.gz XWNIGHMBJZCXLE-FZMZJTMJSA-N 0 0 274.364 3.085 20 10 CGCDRN CC[C@@H]1CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825992162 633394825 /nfs/dbraw/zinc/39/48/25/633394825.db2.gz SMJZMBZOJJYEMR-LLVKDONJSA-N 0 0 270.170 3.139 20 10 CGCDRN Cc1ccncc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000826920614 633443759 /nfs/dbraw/zinc/44/37/59/633443759.db2.gz IEHWOCJDTDZSJO-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000827017842 633448739 /nfs/dbraw/zinc/44/87/39/633448739.db2.gz MNYPEGCGIOHLPT-GASCZTMLSA-N 0 0 299.773 3.043 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCCC2(F)F)c1 ZINC000827168065 633466531 /nfs/dbraw/zinc/46/65/31/633466531.db2.gz XSPQAJRJZXQDNM-GFCCVEGCSA-N 0 0 283.318 3.142 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000827474932 633493184 /nfs/dbraw/zinc/49/31/84/633493184.db2.gz PBJGONDXXSDTRM-UTUOFQBUSA-N 0 0 296.461 3.178 20 10 CGCDRN CCn1c(C)cc(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC000827922932 633534608 /nfs/dbraw/zinc/53/46/08/633534608.db2.gz DSJHBACFZRXAQT-GFCCVEGCSA-N 0 0 286.375 3.321 20 10 CGCDRN CC(C)Nc1ccc(C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000827946723 633539164 /nfs/dbraw/zinc/53/91/64/633539164.db2.gz QLLNGTKKKXHEJI-GFCCVEGCSA-N 0 0 299.374 3.099 20 10 CGCDRN C[C@H](NC(=O)[C@@]1(C)CCc2ccccc21)c1ccccc1O ZINC000827959667 633540279 /nfs/dbraw/zinc/54/02/79/633540279.db2.gz DROCNTPBSPWWEL-DJJJIMSYSA-N 0 0 295.382 3.474 20 10 CGCDRN C[C@H](NC(=O)[C@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000827960748 633541002 /nfs/dbraw/zinc/54/10/02/633541002.db2.gz WPBKZEYSLGRUFT-WBHUJUFNSA-N 0 0 299.345 3.454 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000827973140 633542738 /nfs/dbraw/zinc/54/27/38/633542738.db2.gz INHGXKPETOKAGL-FRRDWIJNSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CC12CCCC2)c1ccccc1O ZINC000827973517 633543510 /nfs/dbraw/zinc/54/35/10/633543510.db2.gz SJDBGDJNKQCKDQ-WCQYABFASA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@H](NC(=O)c1csc(C2CC2)n1)c1ccccc1O ZINC000827978024 633543659 /nfs/dbraw/zinc/54/36/59/633543659.db2.gz GOXCXTVARBJRDP-VIFPVBQESA-N 0 0 288.372 3.217 20 10 CGCDRN COc1ccc(N(C)CCC[C@@H]2CCOC2)cc1F ZINC000827995340 633545684 /nfs/dbraw/zinc/54/56/84/633545684.db2.gz CVOXFSJTAXIXMX-GFCCVEGCSA-N 0 0 267.344 3.087 20 10 CGCDRN CC1(C)CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871204882 633724636 /nfs/dbraw/zinc/72/46/36/633724636.db2.gz RLSYNSHCIDHHFS-NSHDSACASA-N 0 0 259.349 3.061 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)N2Cc3cccc(O)c3C2)[C@H]1c1ccccc1 ZINC000871204980 633725155 /nfs/dbraw/zinc/72/51/55/633725155.db2.gz NJDVKNHRYDROMA-JBBXEZCESA-N 0 0 293.366 3.284 20 10 CGCDRN O=C([C@H]1C[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871206079 633725170 /nfs/dbraw/zinc/72/51/70/633725170.db2.gz QXQNQLDPZNWWKA-CABCVRRESA-N 0 0 279.339 3.038 20 10 CGCDRN CCCOc1ccc(C[NH2+]C2([C@@H](C)C(=O)[O-])CC2)cc1C ZINC000871874859 633905600 /nfs/dbraw/zinc/90/56/00/633905600.db2.gz YDCORMUHRKDZKG-ZDUSSCGKSA-N 0 0 291.391 3.127 20 10 CGCDRN CC(C)(C)Oc1ccncc1NC(=O)C1=CC(=O)CS1 ZINC000831003272 633909062 /nfs/dbraw/zinc/90/90/62/633909062.db2.gz UBALAJKIQPNXDO-UHFFFAOYSA-N 0 0 292.360 3.278 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)NCc1ccc(OC)cc1O ZINC000831032867 633911835 /nfs/dbraw/zinc/91/18/35/633911835.db2.gz LCOKLYYHGXQBFL-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN COc1ccc(N(Cc2noc(C3CC3)n2)CC2CC2)cc1 ZINC000831583468 633979753 /nfs/dbraw/zinc/97/97/53/633979753.db2.gz YSOZSQGFHYPIJG-UHFFFAOYSA-N 0 0 299.374 3.372 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(F)cc1[O-] ZINC000872108540 634032145 /nfs/dbraw/zinc/03/21/45/634032145.db2.gz AEHDCMICCYHNJX-GPMKHBRKSA-N 0 0 279.355 3.140 20 10 CGCDRN Nc1ccc(Cc2noc(C3CCC=CCC3)n2)cc1 ZINC000872171694 634076288 /nfs/dbraw/zinc/07/62/88/634076288.db2.gz WIZYQAHCEIULCO-UHFFFAOYSA-N 0 0 269.348 3.456 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC1CCCC1 ZINC000101602782 634215046 /nfs/dbraw/zinc/21/50/46/634215046.db2.gz INMJWIHXXROMMA-UHFFFAOYSA-N 0 0 276.380 3.256 20 10 CGCDRN CCC[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834841640 634254932 /nfs/dbraw/zinc/25/49/32/634254932.db2.gz XUUAZWNMDUSCKQ-ONGXEEELSA-N 0 0 273.323 3.136 20 10 CGCDRN CC[C@@H](NCc1nn(C)cc1Cl)c1ccc(F)cc1O ZINC000834881772 634264126 /nfs/dbraw/zinc/26/41/26/634264126.db2.gz AMYHEMXZPMVVQV-GFCCVEGCSA-N 0 0 297.761 3.159 20 10 CGCDRN CCc1ncc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000834901343 634277957 /nfs/dbraw/zinc/27/79/57/634277957.db2.gz ZZPGDYVUINZNTK-QMMMGPOBSA-N 0 0 282.290 3.072 20 10 CGCDRN C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000834905934 634281851 /nfs/dbraw/zinc/28/18/51/634281851.db2.gz VJQHTASHMDJJAZ-MNOVXSKESA-N 0 0 285.334 3.138 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CCc3ncsc3C2)cc1 ZINC000835044579 634331566 /nfs/dbraw/zinc/33/15/66/634331566.db2.gz AKMRRYZCEKWNBF-ONEGZZNKSA-N 0 0 299.443 3.281 20 10 CGCDRN CCc1nc(CNC/C=C/c2ccc(N(C)C)cc2)co1 ZINC000835054322 634337747 /nfs/dbraw/zinc/33/77/47/634337747.db2.gz KAOZSVINNLDYTL-AATRIKPKSA-N 0 0 285.391 3.106 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N2CCCc3ccc(C)nc32)s1 ZINC000876487047 634843922 /nfs/dbraw/zinc/84/39/22/634843922.db2.gz PAMMYWNCKCZZKU-FPLPWBNLSA-N 0 0 299.399 3.148 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c(O)c1O ZINC000837165505 634865146 /nfs/dbraw/zinc/86/51/46/634865146.db2.gz FNHIVBAJZGFXQQ-LBPRGKRZSA-N 0 0 291.391 3.305 20 10 CGCDRN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(N)cc2)C1(C)C ZINC000837303258 634882181 /nfs/dbraw/zinc/88/21/81/634882181.db2.gz CFLRBSCSLAOWMJ-CABCVRRESA-N 0 0 272.392 3.123 20 10 CGCDRN Nc1ccc(CNC(=O)c2ccc(C3CCC3)cc2)cc1 ZINC000837303180 634882239 /nfs/dbraw/zinc/88/22/39/634882239.db2.gz XNYLYPLYPOTOFY-UHFFFAOYSA-N 0 0 280.371 3.466 20 10 CGCDRN Cc1ccc([C@H]2COCCN2Cc2ccc(C)cc2O)o1 ZINC000876744889 634890506 /nfs/dbraw/zinc/89/05/06/634890506.db2.gz ZWNKSCAFOCHPTP-OAHLLOKOSA-N 0 0 287.359 3.176 20 10 CGCDRN Cc1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c(O)c1 ZINC000876750128 634892076 /nfs/dbraw/zinc/89/20/76/634892076.db2.gz OGQQYQNWQKHIEW-NEPJUHHUSA-N 0 0 251.395 3.026 20 10 CGCDRN COc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876895283 634923810 /nfs/dbraw/zinc/92/38/10/634923810.db2.gz YIYNCUUBGMBSGB-UHFFFAOYSA-N 0 0 293.313 3.011 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc2c(c1)OCCO2 ZINC000876952042 634935274 /nfs/dbraw/zinc/93/52/74/634935274.db2.gz JWDUSOWQBDCJGC-UHFFFAOYSA-N 0 0 271.316 3.084 20 10 CGCDRN O=C(Nc1ccc(Cl)c(F)c1)c1cccc(O)c1O ZINC000126299591 634954623 /nfs/dbraw/zinc/95/46/23/634954623.db2.gz FGVILLDJHYOCDB-UHFFFAOYSA-N 0 0 281.670 3.143 20 10 CGCDRN Cc1cccc(CO[C@H](C)C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877074510 634972535 /nfs/dbraw/zinc/97/25/35/634972535.db2.gz MSQVTCGPHVUFBR-CQSZACIVSA-N 0 0 298.386 3.145 20 10 CGCDRN C[C@@H](CC(=O)N(C)c1ccc(N)cc1)c1ccco1 ZINC000877074254 634972542 /nfs/dbraw/zinc/97/25/42/634972542.db2.gz DRQNKYMNNIKDLV-NSHDSACASA-N 0 0 258.321 3.018 20 10 CGCDRN C[C@H](CC(=O)N(C)c1ccc(N)cc1)c1ccco1 ZINC000877074253 634972550 /nfs/dbraw/zinc/97/25/50/634972550.db2.gz DRQNKYMNNIKDLV-LLVKDONJSA-N 0 0 258.321 3.018 20 10 CGCDRN CN(C(=O)[C@]1(C)CCc2ccccc21)c1ccc(N)cc1 ZINC000877076169 634973609 /nfs/dbraw/zinc/97/36/09/634973609.db2.gz MZADDFNWAJNTHO-GOSISDBHSA-N 0 0 280.371 3.136 20 10 CGCDRN COc1cccc([C@@H](C)CC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877077693 634975795 /nfs/dbraw/zinc/97/57/95/634975795.db2.gz RCSGXYUMDUMCJM-ZDUSSCGKSA-N 0 0 298.386 3.434 20 10 CGCDRN [O-]c1c(C[NH2+]Cc2nc(C3CC3)cs2)ccc(F)c1F ZINC000877110044 634985875 /nfs/dbraw/zinc/98/58/75/634985875.db2.gz LOVQJHKCWCWLQC-UHFFFAOYSA-N 0 0 296.342 3.294 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc(F)c1F ZINC000877140576 634999903 /nfs/dbraw/zinc/99/99/03/634999903.db2.gz WOLBVXVJERIJSL-AWEZNQCLSA-N 0 0 297.345 3.061 20 10 CGCDRN Cc1ccc(CNc2cc3c(cc2C)OCO3)c(O)c1 ZINC000877189969 635010491 /nfs/dbraw/zinc/01/04/91/635010491.db2.gz XJDWESJGVZKMJN-UHFFFAOYSA-N 0 0 271.316 3.350 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1=CCCC1 ZINC000840554484 635022446 /nfs/dbraw/zinc/02/24/46/635022446.db2.gz BQRUDUKVVJDDDM-CQSZACIVSA-N 0 0 286.419 3.219 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)cccc2O)cc1OC ZINC000877343045 635028671 /nfs/dbraw/zinc/02/86/71/635028671.db2.gz UNWVWUUMNIOOKL-UHFFFAOYSA-N 0 0 287.359 3.354 20 10 CGCDRN [O-]c1c(C[NH2+]CCC[C@@H]2CCCCO2)ccc(F)c1F ZINC000877352877 635030260 /nfs/dbraw/zinc/03/02/60/635030260.db2.gz LHWLHDLJHNFHKG-LBPRGKRZSA-N 0 0 285.334 3.109 20 10 CGCDRN C[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000209510127 635055155 /nfs/dbraw/zinc/05/51/55/635055155.db2.gz NDKZWWYFJRBYAR-KJJQSCHISA-N 0 0 298.338 3.458 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C12CCC2 ZINC000840807627 635055630 /nfs/dbraw/zinc/05/56/30/635055630.db2.gz WUDKQEDKXZHLDP-CUOATXAZSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486034 635056266 /nfs/dbraw/zinc/05/62/66/635056266.db2.gz CLPNSUHTKFRPHH-CBAPKCEASA-N 0 0 295.251 3.443 20 10 CGCDRN C[C@H](NCc1nccc(C(F)(F)F)n1)c1ccccc1O ZINC000840864021 635068286 /nfs/dbraw/zinc/06/82/86/635068286.db2.gz AQDWAGQWVPVGGS-VIFPVBQESA-N 0 0 297.280 3.052 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(Cl)nn1 ZINC000840884188 635073249 /nfs/dbraw/zinc/07/32/49/635073249.db2.gz KDVXCMHXTVYAHI-UHFFFAOYSA-N 0 0 276.771 3.117 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000840923476 635083131 /nfs/dbraw/zinc/08/31/31/635083131.db2.gz USVUXRWTBOJOAJ-UHFFFAOYSA-N 0 0 295.810 3.357 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)ccc(F)c1F ZINC000877575029 635098913 /nfs/dbraw/zinc/09/89/13/635098913.db2.gz DCDFJLDZVBEDRK-OAHLLOKOSA-N 0 0 299.386 3.390 20 10 CGCDRN Nc1ccc(Cc2nc(-c3nc(C4CC4)no3)cs2)cc1 ZINC000840993749 635100173 /nfs/dbraw/zinc/10/01/73/635100173.db2.gz JBYKVQZVQWQLRB-UHFFFAOYSA-N 0 0 298.371 3.244 20 10 CGCDRN C[C@@H](CCCc1cccnc1)NC(=O)Nc1ccc(N)cc1 ZINC000841297204 635148576 /nfs/dbraw/zinc/14/85/76/635148576.db2.gz CKRKKHLYZKKMNC-ZDUSSCGKSA-N 0 0 298.390 3.197 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000841297956 635149643 /nfs/dbraw/zinc/14/96/43/635149643.db2.gz WILNSLJBPQCWPC-LSDHHAIUSA-N 0 0 273.380 3.359 20 10 CGCDRN CCn1cc(N[C@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841750524 635225793 /nfs/dbraw/zinc/22/57/93/635225793.db2.gz RPXOVHSMYNOAAG-SECBINFHSA-N 0 0 265.744 3.435 20 10 CGCDRN C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753256 635227769 /nfs/dbraw/zinc/22/77/69/635227769.db2.gz YGFVNVGBMHFMAU-MNOVXSKESA-N 0 0 271.788 3.105 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(Cl)cc1[O-] ZINC000841753468 635227787 /nfs/dbraw/zinc/22/77/87/635227787.db2.gz UIIKIFDYRSUSPC-COPLHBTASA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754865 635228973 /nfs/dbraw/zinc/22/89/73/635228973.db2.gz MWOWFAPDOWAZPS-DMDPSCGWSA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(Cl)cc1[O-] ZINC000841758933 635231790 /nfs/dbraw/zinc/23/17/90/635231790.db2.gz WHDADVUVRDPARQ-JTQLQIEISA-N 0 0 271.788 3.105 20 10 CGCDRN CCC[C@H](C)C[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841802973 635237114 /nfs/dbraw/zinc/23/71/14/635237114.db2.gz NTNNSHHADLRURA-SWLSCSKDSA-N 0 0 293.407 3.373 20 10 CGCDRN CCCC[C@H](CCC)NC(=O)NCCc1ccc(N)cc1 ZINC000841850859 635242437 /nfs/dbraw/zinc/24/24/37/635242437.db2.gz HHNPVSKSGYNCKA-INIZCTEOSA-N 0 0 291.439 3.469 20 10 CGCDRN Cc1ccc2c(c1)N[C@@H](c1cc(C)c(C)cc1O)NC2=O ZINC000877865093 635246231 /nfs/dbraw/zinc/24/62/31/635246231.db2.gz UWRBXVKDGNMPBY-MRXNPFEDSA-N 0 0 282.343 3.172 20 10 CGCDRN COc1ccc(N(C)C[C@@H](CC(C)C)OC)cc1OC ZINC000842152145 635297412 /nfs/dbraw/zinc/29/74/12/635297412.db2.gz YVFZNBNPJGKWQO-CQSZACIVSA-N 0 0 281.396 3.201 20 10 CGCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842778565 635469894 /nfs/dbraw/zinc/46/98/94/635469894.db2.gz GYYVCTHWJNRVAX-XCBNKYQSSA-N 0 0 275.776 3.168 20 10 CGCDRN COc1ccc(N2CC[C@H](COC(=O)CC(C)C)C2)cc1 ZINC000842881363 635504525 /nfs/dbraw/zinc/50/45/25/635504525.db2.gz MQBCJVDUPXVFGD-AWEZNQCLSA-N 0 0 291.391 3.111 20 10 CGCDRN Cc1cc(C)c([C@@H](C)Nc2ccc3c(c2)nnn3C)c(O)c1 ZINC000842899817 635509827 /nfs/dbraw/zinc/50/98/27/635509827.db2.gz CSHSOQZFAYXXDB-GFCCVEGCSA-N 0 0 296.374 3.464 20 10 CGCDRN CC1CCC(O)(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000127337004 635629327 /nfs/dbraw/zinc/62/93/27/635629327.db2.gz HMOAOAWNNNQVOV-UHFFFAOYSA-N 0 0 283.799 3.076 20 10 CGCDRN COc1ccc(N(C)Cc2ccnn2CC(C)C)cc1F ZINC000843405187 635659821 /nfs/dbraw/zinc/65/98/21/635659821.db2.gz NLBALWIQSBIWDH-UHFFFAOYSA-N 0 0 291.370 3.323 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000843429184 635672516 /nfs/dbraw/zinc/67/25/16/635672516.db2.gz SOXLGFKUFLUWFH-CQSZACIVSA-N 0 0 281.783 3.047 20 10 CGCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCCC[C@H]1C ZINC000843488937 635680339 /nfs/dbraw/zinc/68/03/39/635680339.db2.gz XWUSVDGRQLZLSL-CJNGLKHVSA-N 0 0 274.408 3.239 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1 ZINC000844304408 635865335 /nfs/dbraw/zinc/86/53/35/635865335.db2.gz CZPMPXNDAXWYFE-IAGOWNOFSA-N 0 0 286.419 3.195 20 10 CGCDRN COc1ccc(N(C)CCCCCCCO)cc1 ZINC000844352994 635877185 /nfs/dbraw/zinc/87/71/85/635877185.db2.gz MUASPUQQVRANNZ-UHFFFAOYSA-N 0 0 251.370 3.074 20 10 CGCDRN C[C@@H](NC(=O)c1ncsc1C1CC1)c1ccccc1O ZINC000881440941 636109647 /nfs/dbraw/zinc/10/96/47/636109647.db2.gz RJXYOZYNRMMVDP-SECBINFHSA-N 0 0 288.372 3.217 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CC3(CCC3)C2)c1[O-] ZINC000846107270 636144072 /nfs/dbraw/zinc/14/40/72/636144072.db2.gz QXVSKMOXLGPAAU-UHFFFAOYSA-N 0 0 296.754 3.376 20 10 CGCDRN COc1cccc([C@H](C)N[C@@H](C2CC2)C(F)(F)F)c1O ZINC000846170444 636152682 /nfs/dbraw/zinc/15/26/82/636152682.db2.gz LAHBEHWKKQOZJU-SDBXPKJASA-N 0 0 289.297 3.392 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000846186744 636156323 /nfs/dbraw/zinc/15/63/23/636156323.db2.gz FTJPVROQYJDRDB-APPDUMDISA-N 0 0 293.382 3.387 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(F)cc1[O-] ZINC000846205184 636158646 /nfs/dbraw/zinc/15/86/46/636158646.db2.gz NRMNHPDIFNCMRH-XHDPSFHLSA-N 0 0 281.371 3.387 20 10 CGCDRN C/C=C(/CC)C(=O)NCc1cc(Cl)ccc1O ZINC000846473982 636187874 /nfs/dbraw/zinc/18/78/74/636187874.db2.gz PILPABNGVOQAFG-OQFOIZHKSA-N 0 0 253.729 3.018 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846477552 636188980 /nfs/dbraw/zinc/18/89/80/636188980.db2.gz SBUIKGAHVPCQDR-XYPYZODXSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(NCCC[C@H]1CC1(Cl)Cl)C1=CC(=O)CS1 ZINC000846664894 636215304 /nfs/dbraw/zinc/21/53/04/636215304.db2.gz QAJXYMQNACZEII-ZETCQYMHSA-N 0 0 294.203 3.158 20 10 CGCDRN CCC(C)(C)c1nnc(NCc2ccc(OC)cc2O)o1 ZINC000882294347 636303977 /nfs/dbraw/zinc/30/39/77/636303977.db2.gz TUPIPUALGODBJJ-UHFFFAOYSA-N 0 0 291.351 3.084 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]CC2(CO)CCCCC2)c(O)c1 ZINC000130799514 636513324 /nfs/dbraw/zinc/51/33/24/636513324.db2.gz XNPCCNJMJWAQQY-AWEZNQCLSA-N 0 0 277.408 3.294 20 10 CGCDRN CC(C)(C)n1cc(NCc2cc(F)cc(F)c2O)cn1 ZINC000883078362 636531643 /nfs/dbraw/zinc/53/16/43/636531643.db2.gz OLLPTDDCPGLWNX-UHFFFAOYSA-N 0 0 281.306 3.234 20 10 CGCDRN CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883084459 636535620 /nfs/dbraw/zinc/53/56/20/636535620.db2.gz RWTMAQZDVYOBRW-KGLIPLIRSA-N 0 0 299.361 3.354 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000883162642 636561435 /nfs/dbraw/zinc/56/14/35/636561435.db2.gz ZIUBRMZLJOTSQQ-ZDUSSCGKSA-N 0 0 297.345 3.252 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000883195919 636578682 /nfs/dbraw/zinc/57/86/82/636578682.db2.gz FZZUXGLUXJFIDR-GJZGRUSLSA-N 0 0 297.345 3.108 20 10 CGCDRN C[C@@H](NC1(c2ncccn2)CCC1)c1cc(F)ccc1O ZINC000883311673 636662236 /nfs/dbraw/zinc/66/22/36/636662236.db2.gz ITWOBMLTNAWYJS-LLVKDONJSA-N 0 0 287.338 3.051 20 10 CGCDRN CCc1cccc(CNc2cccc(CCCO)c2)c1O ZINC000848902765 636682379 /nfs/dbraw/zinc/68/23/79/636682379.db2.gz SEBCVHGLYDMDRK-UHFFFAOYSA-N 0 0 285.387 3.492 20 10 CGCDRN CC[C@@H](C)NC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028135 636722130 /nfs/dbraw/zinc/72/21/30/636722130.db2.gz BXZKLEFOBIGQSQ-SSDOTTSWSA-N 0 0 290.194 3.111 20 10 CGCDRN Cc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000214622945 636764706 /nfs/dbraw/zinc/76/47/06/636764706.db2.gz PDBFFXOPMVKXDS-CLFYSBASSA-N 0 0 269.300 3.058 20 10 CGCDRN CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000085069840 636770416 /nfs/dbraw/zinc/77/04/16/636770416.db2.gz DODSMVOGBABAAD-FZMZJTMJSA-N 0 0 261.369 3.359 20 10 CGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N)cc1 ZINC000883509077 636775319 /nfs/dbraw/zinc/77/53/19/636775319.db2.gz MPNWIUCXPDSJON-CJNGLKHVSA-N 0 0 260.381 3.101 20 10 CGCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086783928 636783968 /nfs/dbraw/zinc/78/39/68/636783968.db2.gz WTRZXHOQJNBSDN-HNNXBMFYSA-N 0 0 297.782 3.122 20 10 CGCDRN O[C@H]1CCC[C@H](CSc2ncc(Cl)s2)C1 ZINC000850000177 636925190 /nfs/dbraw/zinc/92/51/90/636925190.db2.gz LQKCUBGLVQJSKF-YUMQZZPRSA-N 0 0 263.815 3.440 20 10 CGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCC(F)CC1 ZINC000850395299 637046962 /nfs/dbraw/zinc/04/69/62/637046962.db2.gz FKFYEWMCZQMNEX-ZBOXLXRLSA-N 0 0 296.342 3.307 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000850495186 637090681 /nfs/dbraw/zinc/09/06/81/637090681.db2.gz XVQXZLIWQMYCHD-ZFWWWQNUSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(Cl)cc1[O-] ZINC000850550972 637117565 /nfs/dbraw/zinc/11/75/65/637117565.db2.gz FQJAQJRSRGYEIH-XSRFYTQQSA-N 0 0 283.799 3.247 20 10 CGCDRN CN(C)c1ccc(CNc2cccc(CCCO)c2)cc1 ZINC000136225385 637297595 /nfs/dbraw/zinc/29/75/95/637297595.db2.gz IZCQGYQIGUDAKN-UHFFFAOYSA-N 0 0 284.403 3.290 20 10 CGCDRN COc1ccc(N(C[C@H]2C[C@@]23CCOC3)C(C)C)cc1F ZINC000886060251 637393980 /nfs/dbraw/zinc/39/39/80/637393980.db2.gz YFDLNORAVSHQPI-CXAGYDPISA-N 0 0 293.382 3.476 20 10 CGCDRN C[C@H](CNC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000851647235 637465315 /nfs/dbraw/zinc/46/53/15/637465315.db2.gz HOBUQRWERBUEOM-CYBMUJFWSA-N 0 0 274.408 3.144 20 10 CGCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000851900081 637537170 /nfs/dbraw/zinc/53/71/70/637537170.db2.gz OPAAYQAFBICYEY-JTQLQIEISA-N 0 0 288.347 3.117 20 10 CGCDRN C[C@@H]([NH2+]CCc1cccs1)c1c([O-])cccc1F ZINC000886489563 637539099 /nfs/dbraw/zinc/53/90/99/637539099.db2.gz LVUDYEREBCPGAP-SNVBAGLBSA-N 0 0 265.353 3.486 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886496703 637542329 /nfs/dbraw/zinc/54/23/29/637542329.db2.gz DLPUDCWDTAGWMO-GHMZBOCLSA-N 0 0 263.312 3.406 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886496704 637542386 /nfs/dbraw/zinc/54/23/86/637542386.db2.gz DLPUDCWDTAGWMO-MNOVXSKESA-N 0 0 263.312 3.406 20 10 CGCDRN C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886516801 637548636 /nfs/dbraw/zinc/54/86/36/637548636.db2.gz YUABHCHQDLUCDE-BDAKNGLRSA-N 0 0 295.276 3.149 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532888 637558896 /nfs/dbraw/zinc/55/88/96/637558896.db2.gz QGWQRQIASYBCDX-QWRGUYRKSA-N 0 0 269.360 3.386 20 10 CGCDRN Cc1cc(CN2CC[C@H]2C(F)(F)F)ccc1N(C)C ZINC000852058826 637581871 /nfs/dbraw/zinc/58/18/71/637581871.db2.gz NVIXWXSLZLKEHT-ZDUSSCGKSA-N 0 0 272.314 3.198 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000886587584 637593542 /nfs/dbraw/zinc/59/35/42/637593542.db2.gz BGILCXFVTHGFEY-VXGBXAGGSA-N 0 0 267.344 3.141 20 10 CGCDRN CCOC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886599001 637598798 /nfs/dbraw/zinc/59/87/98/637598798.db2.gz OVWAITTXYCCYKJ-WCQYABFASA-N 0 0 269.360 3.243 20 10 CGCDRN C[C@@H]([NH2+]CCC1(F)CCC1)c1c([O-])cccc1F ZINC000886609187 637603821 /nfs/dbraw/zinc/60/38/21/637603821.db2.gz NTJMFJFOMMBYDK-SNVBAGLBSA-N 0 0 255.308 3.464 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886646252 637625325 /nfs/dbraw/zinc/62/53/25/637625325.db2.gz CUSOIYQFGHJVIW-OPRDCNLKSA-N 0 0 255.358 3.076 20 10 CGCDRN CCCc1nccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000853027724 637737602 /nfs/dbraw/zinc/73/76/02/637737602.db2.gz FOUAVFSMEWINEM-UHFFFAOYSA-N 0 0 288.370 3.246 20 10 CGCDRN CCOc1ccc(O)c(CNc2ccc(N)c(C)c2)c1 ZINC000853249395 637794178 /nfs/dbraw/zinc/79/41/78/637794178.db2.gz DMTYQCYCQINHHN-UHFFFAOYSA-N 0 0 272.348 3.294 20 10 CGCDRN C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@@H]1CC1(C)C ZINC000853626628 637875479 /nfs/dbraw/zinc/87/54/79/637875479.db2.gz BYHYXIQWRJVKDH-ZDUSSCGKSA-N 0 0 270.376 3.418 20 10 CGCDRN CC1(C)CC[C@@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000854134020 637992249 /nfs/dbraw/zinc/99/22/49/637992249.db2.gz LJANODLKHOBTKN-GFCCVEGCSA-N 0 0 257.337 3.146 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(F)cc1[O-] ZINC000854226110 638027768 /nfs/dbraw/zinc/02/77/68/638027768.db2.gz NXAOAAJYGKXNHG-QLJPJBMISA-N 0 0 286.350 3.452 20 10 CGCDRN CCCC[C@H](C(=O)NCc1cccc(OC)c1O)C(C)C ZINC000857102885 638457793 /nfs/dbraw/zinc/45/77/93/638457793.db2.gz SHBVDPMOQCRMRT-AWEZNQCLSA-N 0 0 293.407 3.479 20 10 CGCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115282238 638515072 /nfs/dbraw/zinc/51/50/72/638515072.db2.gz OCBDZYYSQZWSOS-UHFFFAOYSA-N 0 0 296.414 3.228 20 10 CGCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1cccnc1 ZINC000858088134 638622882 /nfs/dbraw/zinc/62/28/82/638622882.db2.gz RNJWSBBLAVMISF-LLVKDONJSA-N 0 0 291.345 3.277 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000858158657 638646580 /nfs/dbraw/zinc/64/65/80/638646580.db2.gz HHYAKEZPJZASRP-JKSUJKDBSA-N 0 0 296.370 3.056 20 10 CGCDRN C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927118072 638844597 /nfs/dbraw/zinc/84/45/97/638844597.db2.gz DDICPPDSDNXDEU-RWSFTLGLSA-N 0 0 276.336 3.141 20 10 CGCDRN O=C(CC1=CCCCC1)NCc1c(O)cccc1F ZINC000928712370 638889732 /nfs/dbraw/zinc/88/97/32/638889732.db2.gz SJELAABFVMVSCB-UHFFFAOYSA-N 0 0 263.312 3.038 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cc(C)nnc1C ZINC000929238444 638911765 /nfs/dbraw/zinc/91/17/65/638911765.db2.gz VFNVKUBXURXIIS-UHFFFAOYSA-N 0 0 283.375 3.055 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C3CC3)o2)c(OC)c1 ZINC000930076035 638972749 /nfs/dbraw/zinc/97/27/49/638972749.db2.gz BKQXBIZLHCNXGX-UHFFFAOYSA-N 0 0 288.347 3.206 20 10 CGCDRN CCCOC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000859161064 639095013 /nfs/dbraw/zinc/09/50/13/639095013.db2.gz MDMVKBKRLKADJX-UHFFFAOYSA-N 0 0 278.135 3.335 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C(C)C)on2)c1 ZINC000860702173 639406144 /nfs/dbraw/zinc/40/61/44/639406144.db2.gz ORMNAFJOUQLCNW-UHFFFAOYSA-N 0 0 289.335 3.134 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC12CCCC2 ZINC000862026879 639634724 /nfs/dbraw/zinc/63/47/24/639634724.db2.gz BINXAQOHAMWUOH-CQSZACIVSA-N 0 0 296.370 3.137 20 10 CGCDRN Cc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000041010568 639898790 /nfs/dbraw/zinc/89/87/90/639898790.db2.gz DTFOGCRIJDTCQB-NSHDSACASA-N 0 0 275.421 3.368 20 10 CGCDRN COc1cc(C)ccc1NCc1cc2c(cc1O)OCO2 ZINC000042880250 639922007 /nfs/dbraw/zinc/92/20/07/639922007.db2.gz GYWATAJUZOJUSQ-UHFFFAOYSA-N 0 0 287.315 3.050 20 10 CGCDRN COc1ccc(C)cc1NC(=O)CSc1nccs1 ZINC000047240607 640007241 /nfs/dbraw/zinc/00/72/41/640007241.db2.gz FEWUVGOOYHGVIW-UHFFFAOYSA-N 0 0 294.401 3.191 20 10 CGCDRN Cc1ccc(O)c(CNc2cnn([C@H](C)C3CC3)c2)c1 ZINC000189242508 640178952 /nfs/dbraw/zinc/17/89/52/640178952.db2.gz GKINGRSCVONKSQ-GFCCVEGCSA-N 0 0 271.364 3.480 20 10 CGCDRN COc1cccc(CNc2cnn([C@@H](C)C3CC3)c2)c1O ZINC000189246440 640180041 /nfs/dbraw/zinc/18/00/41/640180041.db2.gz JXCODJBLHLPIQK-NSHDSACASA-N 0 0 287.363 3.180 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000189462651 640194414 /nfs/dbraw/zinc/19/44/14/640194414.db2.gz DTJAZHOGHGNDKO-IBAJTVCLSA-N 0 0 289.375 3.196 20 10 CGCDRN CC[C@@H](C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000190714100 640263466 /nfs/dbraw/zinc/26/34/66/640263466.db2.gz KUWVKXNIPJXWIA-CYBMUJFWSA-N 0 0 274.408 3.121 20 10 CGCDRN Cc1cc(C)c(/C=C2/SC(=S)N(C)C2=O)cc1C ZINC000078382108 640307929 /nfs/dbraw/zinc/30/79/29/640307929.db2.gz GWRPLIAAUOISSI-KPKJPENVSA-N 0 0 277.414 3.443 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)n1-c1ccccn1 ZINC000192845604 640411107 /nfs/dbraw/zinc/41/11/07/640411107.db2.gz GRMKPHBVSAHCKL-LBPRGKRZSA-N 0 0 283.375 3.017 20 10 CGCDRN CC[C@@H](C)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000088534991 640619203 /nfs/dbraw/zinc/61/92/03/640619203.db2.gz HZIOEDPGUBFTQV-LLVKDONJSA-N 0 0 267.369 3.195 20 10 CGCDRN C[N@H+](CCC1CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092067105 640730400 /nfs/dbraw/zinc/73/04/00/640730400.db2.gz JUVHZPHTICIQIP-UHFFFAOYSA-N 0 0 284.743 3.186 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)[C@H]1C ZINC000249310596 640795427 /nfs/dbraw/zinc/79/54/27/640795427.db2.gz LQWAAGLMSWRFAE-VNHYZAJKSA-N 0 0 290.407 3.358 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)[C@H]1C ZINC000249310591 640795459 /nfs/dbraw/zinc/79/54/59/640795459.db2.gz LQWAAGLMSWRFAE-IPYPFGDCSA-N 0 0 290.407 3.358 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCC[C@H]1c1ccccc1 ZINC000280420325 641035498 /nfs/dbraw/zinc/03/54/98/641035498.db2.gz IOKCUDFJALDHAG-HNNXBMFYSA-N 0 0 297.354 3.465 20 10 CGCDRN Oc1cc(O)c(CCNc2nccc3ccccc32)cc1O ZINC001157239486 805793751 /nfs/dbraw/zinc/79/37/51/805793751.db2.gz DRKGUFRUMATCGW-UHFFFAOYSA-N 0 0 296.326 3.006 20 10 CGCDRN Oc1cc(O)c(CCNc2cc3ccccc3cn2)cc1O ZINC001157239507 805793926 /nfs/dbraw/zinc/79/39/26/805793926.db2.gz FWKPMZZTWHIWJF-UHFFFAOYSA-N 0 0 296.326 3.006 20 10 CGCDRN Oc1cc(-c2nc3c(cccc3Cl)[nH]2)cc(O)c1O ZINC001251244659 805870301 /nfs/dbraw/zinc/87/03/01/805870301.db2.gz RWUYBAVWXJYZII-UHFFFAOYSA-N 0 0 276.679 3.000 20 10 CGCDRN Oc1cc(O)c(-c2nc3cc(Cl)ccc3[nH]2)cc1O ZINC001251355449 805886535 /nfs/dbraw/zinc/88/65/35/805886535.db2.gz LULXMVVSMMWQRM-UHFFFAOYSA-N 0 0 276.679 3.000 20 10 CGCDRN Cc1ccc(Nc2ccc(N)cc2)c(Br)n1 ZINC001159143338 806050669 /nfs/dbraw/zinc/05/06/69/806050669.db2.gz SXZOIUYCJFZCGU-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN Nc1ccc(Nc2ncccc2N2CCCCC2)cc1 ZINC001159364080 806086801 /nfs/dbraw/zinc/08/68/01/806086801.db2.gz KKRDBFRUQJYQDB-UHFFFAOYSA-N 0 0 268.364 3.398 20 10 CGCDRN CCC[C@H](O)CNc1ccccc1OCC(F)(F)F ZINC001252793105 806118255 /nfs/dbraw/zinc/11/82/55/806118255.db2.gz IDGJZNGGZCGAFY-JTQLQIEISA-N 0 0 277.286 3.201 20 10 CGCDRN COC(=O)c1ccc(C)c(Nc2ccc(N)cc2)c1C ZINC001159755385 806165662 /nfs/dbraw/zinc/16/56/62/806165662.db2.gz MSHKTBJPIVDLRW-UHFFFAOYSA-N 0 0 270.332 3.416 20 10 CGCDRN Cc1cccc(CNc2nc(Cl)nc3cc[nH]c32)c1O ZINC001160765291 806300083 /nfs/dbraw/zinc/30/00/83/806300083.db2.gz ZGPXQHNFCFLZER-UHFFFAOYSA-N 0 0 288.738 3.237 20 10 CGCDRN Cc1cccc(CNc2nc(Cl)nc(C)c2C)c1O ZINC001160764480 806300679 /nfs/dbraw/zinc/30/06/79/806300679.db2.gz JSNSXLIHUTXHGR-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN Cc1cc(C)c(CNc2cc(Cl)nc(C)n2)c(O)c1 ZINC001160808167 806304221 /nfs/dbraw/zinc/30/42/21/806304221.db2.gz NGXRKODKGUZNPA-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN Cc1cc(C)c(CNc2cc(OCC3CC3)ncn2)c(O)c1 ZINC001160809891 806306095 /nfs/dbraw/zinc/30/60/95/806306095.db2.gz CETCJMKSBABMMI-UHFFFAOYSA-N 0 0 299.374 3.200 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NCc2ccnn2C)cc1 ZINC001161873771 806476223 /nfs/dbraw/zinc/47/62/23/806476223.db2.gz FWSNBVOWUDPNRB-UHFFFAOYSA-N 0 0 280.375 3.440 20 10 CGCDRN Nc1ccc(CNc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC001162787397 806665799 /nfs/dbraw/zinc/66/57/99/806665799.db2.gz KBJYCVDSYWCQOE-UHFFFAOYSA-N 0 0 294.333 3.477 20 10 CGCDRN CNC(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000036957792 798852657 /nfs/dbraw/zinc/85/26/57/798852657.db2.gz KZZMXFLBQPELGT-UHFFFAOYSA-N 0 0 290.750 3.017 20 10 CGCDRN Oc1ccccc1CNc1ccc(-n2cccn2)cc1 ZINC000036977794 798854079 /nfs/dbraw/zinc/85/40/79/798854079.db2.gz CMRQTYFTJQIMIQ-UHFFFAOYSA-N 0 0 265.316 3.190 20 10 CGCDRN COc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000037185546 798861897 /nfs/dbraw/zinc/86/18/97/798861897.db2.gz LGGBQGPIGPHEFI-LBPRGKRZSA-N 0 0 271.364 3.329 20 10 CGCDRN COCCN(c1ccc(OC)c(OC)c1)[C@H]1C=CCCC1 ZINC000083212404 798938018 /nfs/dbraw/zinc/93/80/18/798938018.db2.gz PDFAJTXOUSCDHH-AWEZNQCLSA-N 0 0 291.391 3.265 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CC2CCC1CC2 ZINC000381561219 799381523 /nfs/dbraw/zinc/38/15/23/799381523.db2.gz WMHLLBZULCIWDK-MLCFOIATSA-N 0 0 289.375 3.042 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(O)c1 ZINC000383903560 799410177 /nfs/dbraw/zinc/41/01/77/799410177.db2.gz CXZHETKYRXNKLE-UHFFFAOYSA-N 0 0 263.724 3.041 20 10 CGCDRN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N)cc1 ZINC000386570777 799437562 /nfs/dbraw/zinc/43/75/62/799437562.db2.gz PZLRYLDQFNTDCJ-LBPRGKRZSA-N 0 0 296.370 3.164 20 10 CGCDRN CC1(C)CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000388828488 799456705 /nfs/dbraw/zinc/45/67/05/799456705.db2.gz CCAMFBYMVJCZMI-NSHDSACASA-N 0 0 261.369 3.217 20 10 CGCDRN CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000390782138 799474794 /nfs/dbraw/zinc/47/47/94/799474794.db2.gz KXIKILLZZCOSBT-JOYOIKCWSA-N 0 0 284.197 3.433 20 10 CGCDRN CO[C@H](CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000393532095 799487577 /nfs/dbraw/zinc/48/75/77/799487577.db2.gz WLABRUOHWRQRNI-MRXNPFEDSA-N 0 0 256.349 3.093 20 10 CGCDRN C[C@H](CCC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407318 799690389 /nfs/dbraw/zinc/69/03/89/799690389.db2.gz VVHJKHZDRSSPHU-XYLWRLHESA-N 0 0 291.391 3.442 20 10 CGCDRN CCc1cccc(CN[C@@H]2CCCC2(F)F)c1O ZINC000691479764 799785439 /nfs/dbraw/zinc/78/54/39/799785439.db2.gz HQULVIIKNHXKQD-GFCCVEGCSA-N 0 0 255.308 3.232 20 10 CGCDRN COc1ccc2c(c1)CN(Cc1cc(F)ccc1O)C2 ZINC000692921215 799803865 /nfs/dbraw/zinc/80/38/65/799803865.db2.gz MYRHUIJWLMGPJY-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000694870737 799824841 /nfs/dbraw/zinc/82/48/41/799824841.db2.gz MYZYLAJUXWJPOH-MNOVXSKESA-N 0 0 269.772 3.045 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698924610 799857432 /nfs/dbraw/zinc/85/74/32/799857432.db2.gz UEXMCSQZMOUQFL-RYUDHWBXSA-N 0 0 251.757 3.181 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701943674 799899474 /nfs/dbraw/zinc/89/94/74/799899474.db2.gz IYJABCIOHFUNQC-SECBINFHSA-N 0 0 261.699 3.181 20 10 CGCDRN CC1(C)C[C@@]1(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000701970104 799901136 /nfs/dbraw/zinc/90/11/36/799901136.db2.gz USCBWCGLVGLJGO-CYBMUJFWSA-N 0 0 284.197 3.433 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000708382645 799986867 /nfs/dbraw/zinc/98/68/67/799986867.db2.gz GNTVWRJDQIUIIU-IINYFYTJSA-N 0 0 267.319 3.435 20 10 CGCDRN CC(C)(C)[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000709000167 800001749 /nfs/dbraw/zinc/00/17/49/800001749.db2.gz KUEYYCQKQBJGMD-CQSZACIVSA-N 0 0 283.799 3.293 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711846676 800076035 /nfs/dbraw/zinc/07/60/35/800076035.db2.gz PYWQGZBFTFANCR-UKRRQHHQSA-N 0 0 295.810 3.340 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716533408 800175259 /nfs/dbraw/zinc/17/52/59/800175259.db2.gz OYRKKYXUFAVDNT-ZDUSSCGKSA-N 0 0 295.810 3.485 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccc(F)cc1[O-] ZINC000717274613 800199411 /nfs/dbraw/zinc/19/94/11/800199411.db2.gz SAMUZXVHLVROTG-YPMHNXCESA-N 0 0 281.371 3.387 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723651550 800335500 /nfs/dbraw/zinc/33/55/00/800335500.db2.gz UHLVZFSWMACFSS-KWCYVHTRSA-N 0 0 295.810 3.340 20 10 CGCDRN Cc1ccc(-c2nnc(Cc3ccc(O)c(O)c3)o2)cc1C ZINC001256562743 806915943 /nfs/dbraw/zinc/91/59/43/806915943.db2.gz LKTJSPSUXBORQU-UHFFFAOYSA-N 0 0 296.326 3.355 20 10 CGCDRN Cc1cc(-c2nnc(C)o2)c(C)n1-c1ccccc1 ZINC001117186024 802440378 /nfs/dbraw/zinc/44/03/78/802440378.db2.gz MFUXHPYYYKLNFA-UHFFFAOYSA-N 0 0 253.305 3.453 20 10 CGCDRN C[C@@H]([NH2+]C/C=C\C1CC1)c1cc(F)cc(F)c1[O-] ZINC001117751934 802487145 /nfs/dbraw/zinc/48/71/45/802487145.db2.gz XJXIZAAVRULDCY-PKRMOACSSA-N 0 0 253.292 3.287 20 10 CGCDRN COc1ccc2c(c1)c1c(n2Cc2nnc(C)o2)CCCC1 ZINC001118422631 802565198 /nfs/dbraw/zinc/56/51/98/802565198.db2.gz WBGQAGHTXFFWKU-UHFFFAOYSA-N 0 0 297.358 3.268 20 10 CGCDRN C[C@H](NC(=O)c1cnc(C2CC2)s1)c1ccccc1O ZINC001119274646 802640860 /nfs/dbraw/zinc/64/08/60/802640860.db2.gz CEVPNMJJIMYQIE-VIFPVBQESA-N 0 0 288.372 3.217 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1O ZINC001119389949 802657931 /nfs/dbraw/zinc/65/79/31/802657931.db2.gz OYFNEZOFCABEEZ-NZBPQXDJSA-N 0 0 288.391 3.331 20 10 CGCDRN C[C@H](O)c1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001119952852 802712859 /nfs/dbraw/zinc/71/28/59/802712859.db2.gz FCOUVNKBEBCKGD-STQMWFEESA-N 0 0 285.391 3.374 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)C1CCCCC1 ZINC001120602530 802752724 /nfs/dbraw/zinc/75/27/24/802752724.db2.gz DAWLQOFITJAJJV-LBPRGKRZSA-N 0 0 275.396 3.037 20 10 CGCDRN CC(C)Nc1ccc(Nc2cc(N)c(O)cc2O)cc1 ZINC001201499908 811868093 /nfs/dbraw/zinc/86/80/93/811868093.db2.gz UOZOCJGIKRZOCE-UHFFFAOYSA-N 0 0 273.336 3.244 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1 ZINC001125628202 803069841 /nfs/dbraw/zinc/06/98/41/803069841.db2.gz HJCWCZUAWBMLRT-FLIBITNWSA-N 0 0 266.344 3.375 20 10 CGCDRN CCN(c1ccccc1)c1cc(C2=CNCCC2)ncn1 ZINC001243950291 803096316 /nfs/dbraw/zinc/09/63/16/803096316.db2.gz WRRGFWMGAIOLGF-UHFFFAOYSA-N 0 0 280.375 3.359 20 10 CGCDRN CN1CCCc2cc(CNC(=O)/C=C\C3CCCC3)ccc21 ZINC001136436992 803643160 /nfs/dbraw/zinc/64/31/60/803643160.db2.gz SCIZPDISTYZKKY-LUAWRHEFSA-N 0 0 298.430 3.432 20 10 CGCDRN Cc1cc(CN2CC3(CCO3)C2)c(C)n1-c1ccccc1 ZINC001137857378 803786316 /nfs/dbraw/zinc/78/63/16/803786316.db2.gz FORLCAMQOBPVGD-UHFFFAOYSA-N 0 0 282.387 3.069 20 10 CGCDRN Cc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC001138122418 803860950 /nfs/dbraw/zinc/86/09/50/803860950.db2.gz CVPXPIUCRISCPY-UHFFFAOYSA-N 0 0 271.335 3.398 20 10 CGCDRN F[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1F ZINC001138215751 803874514 /nfs/dbraw/zinc/87/45/14/803874514.db2.gz SBSFFQDYZCDGEF-HZPDHXFCSA-N 0 0 280.362 3.169 20 10 CGCDRN CCN(CC)c1ccc(CN2CC(C)(F)C2)c(OC)c1 ZINC001138386452 803913961 /nfs/dbraw/zinc/91/39/61/803913961.db2.gz NNQFCBNEEDHWET-UHFFFAOYSA-N 0 0 280.387 3.085 20 10 CGCDRN Cc1cc(-c2nccn2C)c(-c2ccc(Cl)nc2C)nn1 ZINC001245770680 803953533 /nfs/dbraw/zinc/95/35/33/803953533.db2.gz NJMIEINGQWJORY-UHFFFAOYSA-N 0 0 299.765 3.209 20 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DWOFIPYXVXERFE-NSHDSACASA-N 0 0 263.234 3.058 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCC(F)(F)[C@H](F)C1 ZINC001140338122 804417390 /nfs/dbraw/zinc/41/73/90/804417390.db2.gz VXOBRRBLMVDIGA-LLVKDONJSA-N 0 0 279.689 3.225 20 10 CGCDRN CN(Cc1cncs1)Cc1c(O)cccc1Cl ZINC001140341964 804419327 /nfs/dbraw/zinc/41/93/27/804419327.db2.gz NJGGQJHIDDFGSO-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN CN(Cc1ccccc1O)Cc1c(F)cc(F)cc1F ZINC001140535002 804453021 /nfs/dbraw/zinc/45/30/21/804453021.db2.gz WIJKRZPKBNXXGI-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140582855 804466628 /nfs/dbraw/zinc/46/66/28/804466628.db2.gz NSTHGMCBTFCFIX-DTORHVGOSA-N 0 0 289.272 3.148 20 10 CGCDRN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583249 804466934 /nfs/dbraw/zinc/46/69/34/804466934.db2.gz BCGHUSLTAZAFGK-CQSZACIVSA-N 0 0 285.334 3.060 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC(C(F)F)CC1 ZINC001140583805 804467793 /nfs/dbraw/zinc/46/77/93/804467793.db2.gz SVPTZTUKWSAEGI-UHFFFAOYSA-N 0 0 277.261 3.148 20 10 CGCDRN Cc1c(O)ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c1O ZINC001140748742 804504081 /nfs/dbraw/zinc/50/40/81/804504081.db2.gz JGAVAMRQEFGPNF-UHFFFAOYSA-N 0 0 287.334 3.104 20 10 CGCDRN CCC[C@H](O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965919 807018309 /nfs/dbraw/zinc/01/83/09/807018309.db2.gz NLCKLHFWUYYKNS-AWEZNQCLSA-N 0 0 283.331 3.361 20 10 CGCDRN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103635 804802269 /nfs/dbraw/zinc/80/22/69/804802269.db2.gz IDLOGDCMQYZNMI-GFCCVEGCSA-N 0 0 275.392 3.101 20 10 CGCDRN CO[C@H](C(=O)NCc1c(C)cc(C)cc1O)c1ccccc1 ZINC001143109716 804803739 /nfs/dbraw/zinc/80/37/39/804803739.db2.gz RTBZZVMGIXTPQY-KRWDZBQOSA-N 0 0 299.370 3.013 20 10 CGCDRN Cc1cc(C)c(CNC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)c(O)c1 ZINC001144309188 804971595 /nfs/dbraw/zinc/97/15/95/804971595.db2.gz JNYRVMMLIQKMQX-ILXRZTDVSA-N 0 0 287.403 3.452 20 10 CGCDRN COC(=O)c1cnc(S[C@H](C)CC(C)C)s1 ZINC001166234094 807041355 /nfs/dbraw/zinc/04/13/55/807041355.db2.gz GXNYMRMHVGVLME-MRVPVSSYSA-N 0 0 259.396 3.456 20 10 CGCDRN Cc1c(F)cccc1NC(=O)C1=CC(=O)CS1 ZINC001147888498 805155380 /nfs/dbraw/zinc/15/53/80/805155380.db2.gz PQEJDHPKBGJCQB-UHFFFAOYSA-N 0 0 251.282 3.154 20 10 CGCDRN COC(=O)c1cc(Nc2cccc(O)c2O)c(C)cc1C ZINC001249812968 805256443 /nfs/dbraw/zinc/25/64/43/805256443.db2.gz JNOKRYILTIOWMW-UHFFFAOYSA-N 0 0 287.315 3.245 20 10 CGCDRN C[C@@H](NC(=O)c1nc2ccccc2s1)c1ccccc1O ZINC001151886179 805318691 /nfs/dbraw/zinc/31/86/91/805318691.db2.gz YLSTZKBPMIADQO-SNVBAGLBSA-N 0 0 298.367 3.493 20 10 CGCDRN Cc1cc(F)c(C(=O)N[C@@H](C)c2ccccc2O)c(F)c1 ZINC001151900483 805321462 /nfs/dbraw/zinc/32/14/62/805321462.db2.gz QUIUHRCIGVQFSL-JTQLQIEISA-N 0 0 291.297 3.470 20 10 CGCDRN Oc1cccc(Nc2cc(Cl)c(O)cc2F)c1O ZINC001250024327 805375539 /nfs/dbraw/zinc/37/55/39/805375539.db2.gz YBZQCZGCHCLSQZ-UHFFFAOYSA-N 0 0 269.659 3.340 20 10 CGCDRN C[C@@H](C(=O)NCc1cc(O)ccc1O)[C@H](C)C(C)(C)C ZINC001153888202 805419592 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KJNOQJWHCARZHQ-UHFFFAOYSA-N 0 0 293.322 3.432 20 10 CGCDRN CC[C@H](C)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001544043694 938143071 /nfs/dbraw/zinc/14/30/71/938143071.db2.gz DPNUYAMWLWITOA-DTWKUNHWSA-N 0 0 293.388 3.477 20 10 CGCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccco1 ZINC001557385757 938209656 /nfs/dbraw/zinc/20/96/56/938209656.db2.gz JKMURVVPCNRRAT-VIFPVBQESA-N 0 0 279.723 3.059 20 10 CGCDRN Cc1ccccc1[C@H](C)CC(=O)NCc1cc(O)ccc1O ZINC001558174820 938214013 /nfs/dbraw/zinc/21/40/13/938214013.db2.gz VFHITTKYPWRQBT-CYBMUJFWSA-N 0 0 299.370 3.216 20 10 CGCDRN O=[N+]([O-])c1cc(F)c(N2Cc3cccc(O)c3C2)c(F)c1 ZINC001559263399 938224029 /nfs/dbraw/zinc/22/40/29/938224029.db2.gz QTEKJCMCMHWJRW-UHFFFAOYSA-N 0 0 292.241 3.099 20 10 CGCDRN OCCc1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC001560502996 938260654 /nfs/dbraw/zinc/26/06/54/938260654.db2.gz WXKIMNFTQGWAKH-UHFFFAOYSA-N 0 0 295.741 3.332 20 10 CGCDRN CCCC[C@H](NCc1cc(C(C)C)ccc1O)C(=O)OC ZINC001560738144 938273406 /nfs/dbraw/zinc/27/34/06/938273406.db2.gz MQKHEUUYOZVLMU-HNNXBMFYSA-N 0 0 293.407 3.337 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2C)c1 ZINC001562122428 938297856 /nfs/dbraw/zinc/29/78/56/938297856.db2.gz BZOYGDSXHHGDHV-UHFFFAOYSA-N 0 0 288.322 3.470 20 10 CGCDRN CC(C)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001566329734 960920872 /nfs/dbraw/zinc/92/08/72/960920872.db2.gz JNZLNKFQGYZNKU-UHFFFAOYSA-N 0 0 299.370 3.478 20 10 CGCDRN CC1(C)CCC(C)(CNC(=O)c2cccc(O)c2O)CC1 ZINC001570371386 961949841 /nfs/dbraw/zinc/94/98/41/961949841.db2.gz YXXIBHHYBWUIOG-UHFFFAOYSA-N 0 0 291.391 3.434 20 10 CGCDRN Cc1ccc(N(C)C(=O)c2cccc(O)c2O)cc1Cl ZINC001585683369 963036205 /nfs/dbraw/zinc/03/62/05/963036205.db2.gz ZUZQZZSAPMPMAR-UHFFFAOYSA-N 0 0 291.734 3.336 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1C)c1cccnc1C ZINC001586336032 963095492 /nfs/dbraw/zinc/09/54/92/963095492.db2.gz YTYOBFXVVGEXBE-MDZDMXLPSA-N 0 0 281.359 3.160 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C(C)=C/c1cccnc1 ZINC001586851828 963145168 /nfs/dbraw/zinc/14/51/68/963145168.db2.gz OCXLMIKXCPRKAR-ACCUITESSA-N 0 0 282.343 3.157 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC(C)C)ccc1C ZINC001587036771 963162187 /nfs/dbraw/zinc/16/21/87/963162187.db2.gz LMJWITLQRYFYOK-UHFFFAOYSA-N 0 0 298.386 3.353 20 10 CGCDRN CSc1cc(C(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC001587451413 963195103 /nfs/dbraw/zinc/19/51/03/963195103.db2.gz UHEPXWDIKXQFKX-JTQLQIEISA-N 0 0 288.372 3.000 20 10 CGCDRN O=C(c1coc2cc(O)ccc12)N1Cc2cccc(O)c2C1 ZINC001587933420 963234484 /nfs/dbraw/zinc/23/44/84/963234484.db2.gz VCNSCVSUHXQMBP-UHFFFAOYSA-N 0 0 295.294 3.000 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593219802 994304541 /nfs/dbraw/zinc/30/45/41/994304541.db2.gz OUMUTPUJZHTFLK-ZYHUDNBSSA-N 0 0 277.364 3.320 20 10 CGCDRN c1cnc(NCc2ccc(N3CCCCC3)cc2)nc1 ZINC000065201455 345268780 /nfs/dbraw/zinc/26/87/80/345268780.db2.gz QKENSKDAWRZACS-UHFFFAOYSA-N 0 0 268.364 3.079 20 10 CGCDRN COc1cccc(CNc2ncnc3sccc32)c1O ZINC000066812742 345307229 /nfs/dbraw/zinc/30/72/29/345307229.db2.gz WZJGYDTXTVJYME-UHFFFAOYSA-N 0 0 287.344 3.018 20 10 CGCDRN CN(Cc1ccccc1O)c1c(F)cc([N+](=O)[O-])cc1F ZINC000089635672 345772124 /nfs/dbraw/zinc/77/21/24/345772124.db2.gz FGQBLRLALXMXPK-UHFFFAOYSA-N 0 0 294.257 3.215 20 10 CGCDRN Cc1nc(Cl)cc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000301144457 346439723 /nfs/dbraw/zinc/43/97/23/346439723.db2.gz IMCIVPWJKQSHDX-UHFFFAOYSA-N 0 0 294.761 3.256 20 10 CGCDRN COCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550963 368809003 /nfs/dbraw/zinc/80/90/03/368809003.db2.gz JZGYEBOVOMCZLV-ZDUSSCGKSA-N 0 0 280.387 3.113 20 10 CGCDRN Cc1ccc(Cl)cc1N(C)C(=O)C=Cc1c[nH]cn1 ZINC000493612366 244198238 /nfs/dbraw/zinc/19/82/38/244198238.db2.gz DXKVTVBLVZKCJM-AATRIKPKSA-N 0 0 275.739 3.048 20 10 CGCDRN CC(C)Cc1nc(C(=O)Nc2ccc(N)cc2)cs1 ZINC000160417724 261214348 /nfs/dbraw/zinc/21/43/48/261214348.db2.gz UHUOQILKHUKDFR-UHFFFAOYSA-N 0 0 275.377 3.176 20 10 CGCDRN CCC[C@@H](C(=O)N(C)Cc1ccccc1O)C(C)C ZINC000136461161 371476908 /nfs/dbraw/zinc/47/69/08/371476908.db2.gz LYROGCVGYSQTDY-CQSZACIVSA-N 0 0 263.381 3.423 20 10 CGCDRN CC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(F)cc1[O-] ZINC000287350925 371641743 /nfs/dbraw/zinc/64/17/43/371641743.db2.gz GTCNIWGUUAEZSV-CQSZACIVSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@@H]([NH2+]Cc1nccn1C)c1cccc(Cl)c1[O-] ZINC000287816002 371709365 /nfs/dbraw/zinc/70/93/65/371709365.db2.gz UXSGHIYMMVIDJO-GFCCVEGCSA-N 0 0 279.771 3.020 20 10 CGCDRN CCOc1ccc(O)c(CN[C@@H](C2CC2)C(F)(F)F)c1 ZINC000288533597 371740203 /nfs/dbraw/zinc/74/02/03/371740203.db2.gz VWJKFELZQXLSNM-ZDUSSCGKSA-N 0 0 289.297 3.221 20 10 CGCDRN COc1ccc(CNCc2nccc(C(F)F)n2)cc1C ZINC000288361526 371735161 /nfs/dbraw/zinc/73/51/61/371735161.db2.gz CYNFMSMYIOJBKA-UHFFFAOYSA-N 0 0 293.317 3.021 20 10 CGCDRN CCn1cc(NCc2cc(Cl)c(F)cc2O)cn1 ZINC000293678285 372447283 /nfs/dbraw/zinc/44/72/83/372447283.db2.gz REYJPYKTSXCLSA-UHFFFAOYSA-N 0 0 269.707 3.013 20 10 CGCDRN CC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000293678836 372447337 /nfs/dbraw/zinc/44/73/37/372447337.db2.gz NCCVCVHSCJVKRB-SFYZADRCSA-N 0 0 278.179 3.121 20 10 CGCDRN CCc1nocc1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000293680413 372448124 /nfs/dbraw/zinc/44/81/24/372448124.db2.gz PQBMDJILURGXHA-UHFFFAOYSA-N 0 0 280.755 3.228 20 10 CGCDRN COCC1(CC[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000293747998 372468504 /nfs/dbraw/zinc/46/85/04/372468504.db2.gz WLIZSLGZHNBGRT-UHFFFAOYSA-N 0 0 283.799 3.342 20 10 CGCDRN Oc1ccc(Br)cc1CN1CCC[C@@H]1CF ZINC000294034475 372561147 /nfs/dbraw/zinc/56/11/47/372561147.db2.gz OMYJKHDWJOFHJJ-LLVKDONJSA-N 0 0 288.160 3.089 20 10 CGCDRN Cc1sccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294518640 372658455 /nfs/dbraw/zinc/65/84/55/372658455.db2.gz SZCPNUXJLWYUDH-UHFFFAOYSA-N 0 0 288.416 3.395 20 10 CGCDRN C[C@@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)c2nccn21 ZINC000295346075 372743989 /nfs/dbraw/zinc/74/39/89/372743989.db2.gz YOHPSTHMGGHNIY-PBHICJAKSA-N 0 0 296.418 3.279 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)CSC)cc1 ZINC000171813227 372832079 /nfs/dbraw/zinc/83/20/79/372832079.db2.gz SEDOEFADRFEVCG-ZDUSSCGKSA-N 0 0 294.464 3.148 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC=C(C)C1 ZINC000437872348 372859168 /nfs/dbraw/zinc/85/91/68/372859168.db2.gz ZQLVROISKAXJCY-UHFFFAOYSA-N 0 0 297.402 3.348 20 10 CGCDRN CCC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000297230323 373261206 /nfs/dbraw/zinc/26/12/06/373261206.db2.gz YIEKOYBBRDCWSL-UHFFFAOYSA-N 0 0 287.407 3.029 20 10 CGCDRN C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(F)c(F)c1[O-] ZINC000297337033 373266242 /nfs/dbraw/zinc/26/62/42/373266242.db2.gz OHTNGSNLBQACRZ-SSDOTTSWSA-N 0 0 265.250 3.366 20 10 CGCDRN COc1ccc(N(C)Cc2cscn2)cc1Cl ZINC000177269116 373672857 /nfs/dbraw/zinc/67/28/57/373672857.db2.gz JNKAUYLWJLEPCS-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN Cc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)ncn1 ZINC000301231665 373700622 /nfs/dbraw/zinc/70/06/22/373700622.db2.gz HZJQJFNGYATOIL-UHFFFAOYSA-N 0 0 296.418 3.412 20 10 CGCDRN CN(C)c1ccc(CNc2ncnc3c(F)cccc23)cc1 ZINC000302742495 373948294 /nfs/dbraw/zinc/94/82/94/373948294.db2.gz DHXVOBCAHYPJPE-UHFFFAOYSA-N 0 0 296.349 3.447 20 10 CGCDRN COC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccc(C)o1 ZINC000182529870 374287462 /nfs/dbraw/zinc/28/74/62/374287462.db2.gz ZCMPGOFMSLNXSR-ZDUSSCGKSA-N 0 0 295.766 3.424 20 10 CGCDRN CCC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182597500 374295188 /nfs/dbraw/zinc/29/51/88/374295188.db2.gz CRMISBJUTRNQKQ-LBPRGKRZSA-N 0 0 277.364 3.059 20 10 CGCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000182636824 374301996 /nfs/dbraw/zinc/30/19/96/374301996.db2.gz CGTKHRGULLDPQD-QWHCGFSZSA-N 0 0 262.397 3.051 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C(C)C ZINC000471486407 375002854 /nfs/dbraw/zinc/00/28/54/375002854.db2.gz ZCSHVIHEEPCAMO-ZDUSSCGKSA-N 0 0 287.407 3.330 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccoc1 ZINC000471724532 375007941 /nfs/dbraw/zinc/00/79/41/375007941.db2.gz CBKGEWYEADVYAY-UHFFFAOYSA-N 0 0 297.358 3.079 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000472220856 375011847 /nfs/dbraw/zinc/01/18/47/375011847.db2.gz DUHVKDOUUXCHJL-DZGCQCFKSA-N 0 0 297.402 3.181 20 10 CGCDRN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699569 375075359 /nfs/dbraw/zinc/07/53/59/375075359.db2.gz NXUGYOUMSTWUKF-BDAKNGLRSA-N 0 0 295.333 3.124 20 10 CGCDRN COc1ccc(N(C[C@H](O)CSC)[C@H](C)C2CC2)cc1 ZINC000188058664 375150987 /nfs/dbraw/zinc/15/09/87/375150987.db2.gz WESPMENALRBGCB-DOMZBBRYSA-N 0 0 295.448 3.024 20 10 CGCDRN Cc1cccc([C@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000188247852 375183497 /nfs/dbraw/zinc/18/34/97/375183497.db2.gz CNHBSMMUWPOTQM-OAHLLOKOSA-N 0 0 297.354 3.384 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N1CCc2cccc(F)c21 ZINC000492662383 375449699 /nfs/dbraw/zinc/44/96/99/375449699.db2.gz KNOQIHWJTZUKAS-WAYWQWQTSA-N 0 0 288.347 3.193 20 10 CGCDRN C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191199910 375594095 /nfs/dbraw/zinc/59/40/95/375594095.db2.gz CCTFPOPDNFETLO-NEPJUHHUSA-N 0 0 298.377 3.195 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCCn2ccnc2)cc1 ZINC000191597287 375644334 /nfs/dbraw/zinc/64/43/34/375644334.db2.gz SXCMJNNRIOZVLO-UHFFFAOYSA-N 0 0 273.380 3.197 20 10 CGCDRN Cc1nn(C)cc1CN(C)c1ccc(OC(C)C)cc1 ZINC000192036892 375692639 /nfs/dbraw/zinc/69/26/39/375692639.db2.gz GVFLDUWCUVSKLA-UHFFFAOYSA-N 0 0 273.380 3.152 20 10 CGCDRN C[N@H+](Cc1ccccc1O)Cc1cccnc1C(F)(F)F ZINC000528421104 375902444 /nfs/dbraw/zinc/90/24/44/375902444.db2.gz ZXORVRPSVWDBDL-UHFFFAOYSA-N 0 0 296.292 3.438 20 10 CGCDRN CCCC[C@@H](CCC)NC(=O)Cc1ccc(N)cc1 ZINC000226376981 376354921 /nfs/dbraw/zinc/35/49/21/376354921.db2.gz YCVKZTCYDDMRQK-OAHLLOKOSA-N 0 0 262.397 3.286 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000230300155 376501552 /nfs/dbraw/zinc/50/15/52/376501552.db2.gz ZDZMIWAHSQIANS-CQSZACIVSA-N 0 0 269.772 3.047 20 10 CGCDRN CC[C@H](c1ccncc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000738545370 572378251 /nfs/dbraw/zinc/37/82/51/572378251.db2.gz FVZBSPKIYYQVHR-GFCCVEGCSA-N 0 0 276.361 3.072 20 10 CGCDRN Cc1cnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000266505780 378023023 /nfs/dbraw/zinc/02/30/23/378023023.db2.gz BTQYKYRAIJTPQG-UHFFFAOYSA-N 0 0 287.407 3.460 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C)c2C)cc1Cl ZINC000269036762 378178866 /nfs/dbraw/zinc/17/88/66/378178866.db2.gz UBYCOQNPNLGWPF-UHFFFAOYSA-N 0 0 279.771 3.027 20 10 CGCDRN CC(C)[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000271018852 378428752 /nfs/dbraw/zinc/42/87/52/378428752.db2.gz APGKFOBKEOFTCU-UHFFFAOYSA-N 0 0 285.387 3.262 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c(O)c1 ZINC000273386344 378743464 /nfs/dbraw/zinc/74/34/64/378743464.db2.gz CTGVANMEXDDZQU-DOTOQJQBSA-N 0 0 299.414 3.345 20 10 CGCDRN C[C@@H]([NH2+]CC1CCSCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273609651 378756401 /nfs/dbraw/zinc/75/64/01/378756401.db2.gz VKUVXVDJULPGOS-SNVBAGLBSA-N 0 0 296.392 3.094 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccncc1C ZINC000274483112 378839284 /nfs/dbraw/zinc/83/92/84/378839284.db2.gz BKACPNOUXGXUBF-UHFFFAOYSA-N 0 0 284.359 3.148 20 10 CGCDRN CC(C)(C)c1cnc(SCC(=O)C(F)F)s1 ZINC000282408301 379914274 /nfs/dbraw/zinc/91/42/74/379914274.db2.gz DGTXFZSZBVNQHH-UHFFFAOYSA-N 0 0 265.350 3.367 20 10 CGCDRN C[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000284785641 380142101 /nfs/dbraw/zinc/14/21/01/380142101.db2.gz XFGVYHOTQIUVOJ-TZMCWYRMSA-N 0 0 290.382 3.110 20 10 CGCDRN Cc1coc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284184701 380134987 /nfs/dbraw/zinc/13/49/87/380134987.db2.gz YFPUHEHABGQLMX-UHFFFAOYSA-N 0 0 298.386 3.427 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccc(F)cc1[O-] ZINC000285862985 380153256 /nfs/dbraw/zinc/15/32/56/380153256.db2.gz YLQJKSYFYPZNSS-HNNXBMFYSA-N 0 0 274.339 3.476 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(F)cc1[O-] ZINC000285978885 380155134 /nfs/dbraw/zinc/15/51/34/380155134.db2.gz HOLSUIYPBRFZAS-NHYWBVRUSA-N 0 0 280.387 3.055 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000286022135 380158580 /nfs/dbraw/zinc/15/85/80/380158580.db2.gz IRWOXDAHJROAGO-HIFRSBDPSA-N 0 0 283.387 3.369 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185605449 262306542 /nfs/dbraw/zinc/30/65/42/262306542.db2.gz CJHAREHUYJLXDX-ZIAGYGMSSA-N 0 0 265.397 3.150 20 10 CGCDRN CCCOc1ccc(CN(C)Cc2nccs2)c(O)c1 ZINC000093582618 392239672 /nfs/dbraw/zinc/23/96/72/392239672.db2.gz CSYYNYLSHZQYGO-UHFFFAOYSA-N 0 0 292.404 3.270 20 10 CGCDRN COc1ccc(N(C)Cc2csc(C)n2)cc1F ZINC000121825110 392416297 /nfs/dbraw/zinc/41/62/97/392416297.db2.gz JLAFDXVSXKSCNY-UHFFFAOYSA-N 0 0 266.341 3.236 20 10 CGCDRN COCc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000158106456 392554108 /nfs/dbraw/zinc/55/41/08/392554108.db2.gz JLDVXFRVVGXZFL-UHFFFAOYSA-N 0 0 291.778 3.482 20 10 CGCDRN COc1cccc(CNC(=O)[C@H]2CCCCC2(C)C)c1O ZINC000194367286 392916158 /nfs/dbraw/zinc/91/61/58/392916158.db2.gz TZGOEYULTCLTHD-CYBMUJFWSA-N 0 0 291.391 3.233 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273607902 292067025 /nfs/dbraw/zinc/06/70/25/292067025.db2.gz USYPEPKIDWEBJO-GHMZBOCLSA-N 0 0 296.367 3.155 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000007366257 170279297 /nfs/dbraw/zinc/27/92/97/170279297.db2.gz HMTUDJSURBVAFW-UHFFFAOYSA-N 0 0 289.310 3.412 20 10 CGCDRN COc1ccc(O)c(CNc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000088723266 260233916 /nfs/dbraw/zinc/23/39/16/260233916.db2.gz GQHOOCZHSFIMRS-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000130850030 260399661 /nfs/dbraw/zinc/39/96/61/260399661.db2.gz FODXXGQQFWIHAT-JKSUJKDBSA-N 0 0 274.408 3.142 20 10 CGCDRN COc1ccc(N(C)Cc2ncccc2C)c(OC)c1 ZINC000093204800 260513148 /nfs/dbraw/zinc/51/31/48/260513148.db2.gz HIEXZFKAJDJIOI-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CC/C=C(/C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156323580 261119997 /nfs/dbraw/zinc/11/99/97/261119997.db2.gz WIZZPUXBKCYZLQ-SDQBBNPISA-N 0 0 273.376 3.244 20 10 CGCDRN CCCC[C@@H](CC)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156605268 261127452 /nfs/dbraw/zinc/12/74/52/261127452.db2.gz VWBYQXCUWRSZLN-CYBMUJFWSA-N 0 0 293.407 3.363 20 10 CGCDRN COc1cc(O)c(C[N@H+](C)C2CCCCC2)cc1OC ZINC000159460391 261186721 /nfs/dbraw/zinc/18/67/21/261186721.db2.gz AKOWXMZBXADNFY-UHFFFAOYSA-N 0 0 279.380 3.174 20 10 CGCDRN COc1cccc(CNC(=O)CCCC2CCCC2)c1O ZINC000175929105 261630796 /nfs/dbraw/zinc/63/07/96/261630796.db2.gz KOHMBNQJYUXGMI-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN C[C@@H]1CCC[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180917664 261878984 /nfs/dbraw/zinc/87/89/84/261878984.db2.gz CAMBFYICBKEZCY-WGDOYQSBSA-N 0 0 289.375 3.148 20 10 CGCDRN CC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCCC1 ZINC000184990758 262036892 /nfs/dbraw/zinc/03/68/92/262036892.db2.gz RNSJATYOZASZHU-GXTWGEPZSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185435250 262053991 /nfs/dbraw/zinc/05/39/91/262053991.db2.gz YXZOZLFNXISRIK-SJCJKPOMSA-N 0 0 289.350 3.224 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1C1CCCCC1 ZINC000186975045 262119169 /nfs/dbraw/zinc/11/91/69/262119169.db2.gz WQNFFIRLBZQBGI-AWEZNQCLSA-N 0 0 289.375 3.283 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)c1 ZINC000186143320 262312127 /nfs/dbraw/zinc/31/21/27/262312127.db2.gz NALXOFGKXLBRBX-OLZOCXBDSA-N 0 0 265.397 3.148 20 10 CGCDRN CC(C)(C)[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272543130 263006377 /nfs/dbraw/zinc/00/63/77/263006377.db2.gz YCKVLGGWKGWRML-LOWQCSRCSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1nccc(C)n1 ZINC000359815810 266642013 /nfs/dbraw/zinc/64/20/13/266642013.db2.gz JGXLXNVMCUFOCE-UHFFFAOYSA-N 0 0 266.348 3.197 20 10 CGCDRN CC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278257820 287876812 /nfs/dbraw/zinc/87/68/12/287876812.db2.gz NHLAVZUUWLJWSY-HTQZYQBOSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cscn1 ZINC000271027850 278357352 /nfs/dbraw/zinc/35/73/52/278357352.db2.gz BHCUYTKOGRKYHE-SNVBAGLBSA-N 0 0 279.384 3.199 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)COC)c1cccc(Cl)c1[O-] ZINC000287277476 288047113 /nfs/dbraw/zinc/04/71/13/288047113.db2.gz 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334169931 /nfs/dbraw/zinc/16/99/31/334169931.db2.gz XFMGAMZGBZKQTQ-UHFFFAOYSA-N 0 0 290.432 3.245 20 10 CGCDRN CC(C)c1ccoc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000284531025 519849162 /nfs/dbraw/zinc/84/91/62/519849162.db2.gz OEODBAAXRAUJLB-UHFFFAOYSA-N 0 0 286.375 3.399 20 10 CGCDRN CCC(CC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678822 521484208 /nfs/dbraw/zinc/48/42/08/521484208.db2.gz VONXEDTZMPRRHQ-UHFFFAOYSA-N 0 0 262.397 3.147 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)COc1ccccc1 ZINC000299605479 521688102 /nfs/dbraw/zinc/68/81/02/521688102.db2.gz GTGHAOBBYIOVTQ-UHFFFAOYSA-N 0 0 299.370 3.210 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cc(F)ncc2F)cc1 ZINC000291497640 522169163 /nfs/dbraw/zinc/16/91/63/522169163.db2.gz USRDEJHVYXGOBU-UHFFFAOYSA-N 0 0 291.345 3.058 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CCC(C)(C)C)cc1 ZINC000078041064 522187084 /nfs/dbraw/zinc/18/70/84/522187084.db2.gz SEOSOFABYHJGBT-UHFFFAOYSA-N 0 0 262.397 3.195 20 10 CGCDRN COc1cc(N(C)Cc2ccccc2)cc(OC)c1OC ZINC000125690585 522623036 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CC1(C)C[C@H]1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000732820805 572485189 /nfs/dbraw/zinc/48/51/89/572485189.db2.gz QAZZWWNIMTWNCB-VIFPVBQESA-N 0 0 284.743 3.090 20 10 CGCDRN CCOCCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000741780224 572527322 /nfs/dbraw/zinc/52/73/22/572527322.db2.gz RRTTZXGGEDVEDS-UHFFFAOYSA-N 0 0 269.360 3.476 20 10 CGCDRN CN(CCc1ccc(Cl)cc1)C(=O)C1=CC(=O)CS1 ZINC000733367147 572559549 /nfs/dbraw/zinc/55/95/49/572559549.db2.gz JDILROYIDZSXMQ-UHFFFAOYSA-N 0 0 295.791 3.422 20 10 CGCDRN Cc1ccc2c(CC(=O)NCc3ccccc3O)c[nH]c2c1 ZINC000726193910 572564383 /nfs/dbraw/zinc/56/43/83/572564383.db2.gz QINHPGDJTXKLPE-UHFFFAOYSA-N 0 0 294.354 3.041 20 10 CGCDRN C/C(=C\C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000734405103 572652584 /nfs/dbraw/zinc/65/25/84/572652584.db2.gz CBAYUYCXUTVYNK-JLHYYAGUSA-N 0 0 272.392 3.034 20 10 CGCDRN Cc1cnc([C@@H](NC(=O)C2=CC(=O)CS2)C2CC2)s1 ZINC000743688496 572678615 /nfs/dbraw/zinc/67/86/15/572678615.db2.gz YNRFYZGJYHNWIT-NSHDSACASA-N 0 0 294.401 3.100 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]1c1cccc(F)c1 ZINC000743759238 572681765 /nfs/dbraw/zinc/68/17/65/572681765.db2.gz RODSKIMUAXTWQN-GFCCVEGCSA-N 0 0 277.320 3.180 20 10 CGCDRN COC(=O)CCCN(CC(C)C)c1ccc(OC)cc1 ZINC000735310415 572714167 /nfs/dbraw/zinc/71/41/67/572714167.db2.gz ZUNZNUCGYPDYPV-UHFFFAOYSA-N 0 0 279.380 3.111 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2CCc1cccs1 ZINC000746493570 572873910 /nfs/dbraw/zinc/87/39/10/572873910.db2.gz ZMFBEBFVNMANNF-UHFFFAOYSA-N 0 0 288.416 3.256 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccccc2)cc1F ZINC000746797823 572896458 /nfs/dbraw/zinc/89/64/58/572896458.db2.gz DXEZMJBQAJMAEH-LUAWRHEFSA-N 0 0 298.361 3.221 20 10 CGCDRN CC(C)c1cccc(OCC(=O)NCc2ccccc2O)c1 ZINC000748345293 572974564 /nfs/dbraw/zinc/97/45/64/572974564.db2.gz DAMKCJSREWKKQB-UHFFFAOYSA-N 0 0 299.370 3.211 20 10 CGCDRN Cc1nc2ccccc2cc1C(=O)NCc1ccccc1O ZINC000748349960 572974653 /nfs/dbraw/zinc/97/46/53/572974653.db2.gz NOOQCJCLBBNFPB-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN CSc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000748444670 572977530 /nfs/dbraw/zinc/97/75/30/572977530.db2.gz XUYZIVMKUMDNFZ-UHFFFAOYSA-N 0 0 288.372 3.436 20 10 CGCDRN CCS[C@@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000748857672 572986918 /nfs/dbraw/zinc/98/69/18/572986918.db2.gz DUEBLSGJHBXZHR-MWLCHTKSSA-N 0 0 285.434 3.248 20 10 CGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000749334450 572992206 /nfs/dbraw/zinc/99/22/06/572992206.db2.gz GHIKPKORYBAYAZ-ZDUSSCGKSA-N 0 0 274.408 3.195 20 10 CGCDRN Cc1cc(C(F)(F)F)c(Sc2nccs2)nn1 ZINC000750468863 573131766 /nfs/dbraw/zinc/13/17/66/573131766.db2.gz XFYOBVRMFLURGS-UHFFFAOYSA-N 0 0 277.296 3.412 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1ccccc1O ZINC000820285217 598180158 /nfs/dbraw/zinc/18/01/58/598180158.db2.gz VZNBCXIPBQYSCD-HNNXBMFYSA-N 0 0 285.343 3.331 20 10 CGCDRN CCC/C=C\C(=O)NCc1cccc(Cl)c1O ZINC000890757515 617814313 /nfs/dbraw/zinc/81/43/13/617814313.db2.gz GRWDZPSIRJVYQC-YWEYNIOJSA-N 0 0 253.729 3.018 20 10 CGCDRN C[C@@H]1CCC[C@H]1CC(=O)N(C)Cc1ccccc1O ZINC000187681778 617620482 /nfs/dbraw/zinc/62/04/82/617620482.db2.gz ROIJSVOHRNREDG-OLZOCXBDSA-N 0 0 261.365 3.177 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)C(F)=C1CCC1 ZINC000890760984 617816184 /nfs/dbraw/zinc/81/61/84/617816184.db2.gz HJNCCFNSAFJOGI-UHFFFAOYSA-N 0 0 269.703 3.069 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806129228 617829634 /nfs/dbraw/zinc/82/96/34/617829634.db2.gz CUKGJRXHBYCJOV-CHWSQXEVSA-N 0 0 295.766 3.413 20 10 CGCDRN O=C(CCSc1nccs1)Nc1ccccc1 ZINC000048875541 618054634 /nfs/dbraw/zinc/05/46/34/618054634.db2.gz MRPFTMPYYCSDLQ-UHFFFAOYSA-N 0 0 264.375 3.264 20 10 CGCDRN CC[C@H]([NH2+]Cc1cncn1C)c1cccc(Cl)c1[O-] ZINC000289789705 618121879 /nfs/dbraw/zinc/12/18/79/618121879.db2.gz NEWBBORKROEMLZ-ZDUSSCGKSA-N 0 0 279.771 3.020 20 10 CGCDRN COC(C)(C)c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000085235815 618251654 /nfs/dbraw/zinc/25/16/54/618251654.db2.gz QOWZESBCTFWBAA-UHFFFAOYSA-N 0 0 283.331 3.409 20 10 CGCDRN COc1cccc(CNc2cc(C)nc(C3CCC3)n2)c1O ZINC000892288214 618657516 /nfs/dbraw/zinc/65/75/16/618657516.db2.gz KBCITKHHPGHEPR-UHFFFAOYSA-N 0 0 299.374 3.379 20 10 CGCDRN CC(C)N(C)C(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000850000315 618753435 /nfs/dbraw/zinc/75/34/35/618753435.db2.gz QCMFIBHJRZAAJZ-ZETCQYMHSA-N 0 0 278.830 3.144 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c(O)c1O ZINC000179516315 618794059 /nfs/dbraw/zinc/79/40/59/618794059.db2.gz LPAAKSCOYFLXOS-ZYHUDNBSSA-N 0 0 277.364 3.057 20 10 CGCDRN COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000840884442 618871465 /nfs/dbraw/zinc/87/14/65/618871465.db2.gz MRAFXCOROQAORO-WDEREUQCSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ccc(C#N)c(NCc2ccc(N(C)C)cc2C)n1 ZINC000161459000 618872240 /nfs/dbraw/zinc/87/22/40/618872240.db2.gz ZPXZNOSWQUZABK-UHFFFAOYSA-N 0 0 280.375 3.248 20 10 CGCDRN Cc1cc(NCCc2ccc(O)c(O)c2)nc(C2CCC2)n1 ZINC000892819697 618940350 /nfs/dbraw/zinc/94/03/50/618940350.db2.gz RWVGELADZUCUQV-UHFFFAOYSA-N 0 0 299.374 3.118 20 10 CGCDRN CC1CCC(C)([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000236662523 618997884 /nfs/dbraw/zinc/99/78/84/618997884.db2.gz BKZPWPYFWJTJCI-UHFFFAOYSA-N 0 0 278.352 3.359 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(C)c2C)cc1 ZINC000179872459 619011109 /nfs/dbraw/zinc/01/11/09/619011109.db2.gz DZKDDHFDUHLYEL-GFCCVEGCSA-N 0 0 272.396 3.358 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(F)cc1F ZINC000180586797 619017449 /nfs/dbraw/zinc/01/74/49/619017449.db2.gz POXWVPVOPVMMNW-QHHAFSJGSA-N 0 0 291.253 3.028 20 10 CGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000180887252 619020433 /nfs/dbraw/zinc/02/04/33/619020433.db2.gz MRVUSXSKSFXZGR-STUBTGCMSA-N 0 0 289.356 3.050 20 10 CGCDRN CCOC(CN(C)c1ccc(OC(C)C)cc1)OCC ZINC000191583826 619111043 /nfs/dbraw/zinc/11/10/43/619111043.db2.gz SNGXZNLPIYHYMZ-UHFFFAOYSA-N 0 0 281.396 3.309 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)CSC(C)(C)C)cc1 ZINC000072633921 625319178 /nfs/dbraw/zinc/31/91/78/625319178.db2.gz USZCYUXVPUKRGM-UHFFFAOYSA-N 0 0 294.464 3.243 20 10 CGCDRN COc1ccc(N(C)Cc2nccn2C2CC2)cc1F ZINC000893463982 619183632 /nfs/dbraw/zinc/18/36/32/619183632.db2.gz IIKZDJVKVOKXON-UHFFFAOYSA-N 0 0 275.327 3.002 20 10 CGCDRN CCc1ncc(CN2CCCCc3cc(OC)ccc32)cn1 ZINC000840945954 619245473 /nfs/dbraw/zinc/24/54/73/619245473.db2.gz BRWIEYBVPJSGGB-UHFFFAOYSA-N 0 0 297.402 3.391 20 10 CGCDRN COCc1ccccc1NCc1cc(C)cc(OC)c1O ZINC000894117388 619379317 /nfs/dbraw/zinc/37/93/17/619379317.db2.gz OWWVIGRLNFUOPY-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN O=C(CSc1nccs1)Nc1cccc(F)c1 ZINC000047239064 619384996 /nfs/dbraw/zinc/38/49/96/619384996.db2.gz JKAGFCNEMIUODC-UHFFFAOYSA-N 0 0 268.338 3.013 20 10 CGCDRN CCC[C@@](C)(CC)C(=O)NCc1cc(OC)ccc1O ZINC000793688349 619734187 /nfs/dbraw/zinc/73/41/87/619734187.db2.gz FDWLDTZGGNSGCL-MRXNPFEDSA-N 0 0 279.380 3.233 20 10 CGCDRN COc1cccc(O)c1CNc1cccc(OC)c1OC ZINC000895775397 619883407 /nfs/dbraw/zinc/88/34/07/619883407.db2.gz YKDGRSZVMYOELQ-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)ccc(F)c1F ZINC000895806649 619889465 /nfs/dbraw/zinc/88/94/65/619889465.db2.gz GCCZECJIILKUCB-GFCCVEGCSA-N 0 0 297.345 3.109 20 10 CGCDRN CN(C)c1ccc(F)cc1C[NH2+]Cc1c([O-])cccc1F ZINC000896644950 620040471 /nfs/dbraw/zinc/04/04/71/620040471.db2.gz ZVJQXCYRPPDMNA-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000896638835 620041546 /nfs/dbraw/zinc/04/15/46/620041546.db2.gz CEHQUQAKHSKTMK-GFCCVEGCSA-N 0 0 279.355 3.113 20 10 CGCDRN Oc1cccc(F)c1CNCc1csc(C2CC2)n1 ZINC000896641323 620042265 /nfs/dbraw/zinc/04/22/65/620042265.db2.gz QEBDNGUXEPKQNR-UHFFFAOYSA-N 0 0 278.352 3.155 20 10 CGCDRN COC(=O)c1ccccc1CSc1nccs1 ZINC000108861457 620089050 /nfs/dbraw/zinc/08/90/50/620089050.db2.gz BSUDDEVQYQOQIR-UHFFFAOYSA-N 0 0 265.359 3.222 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000896951746 620112016 /nfs/dbraw/zinc/11/20/16/620112016.db2.gz LLDYLAJDZCOJEX-WPRPVWTQSA-N 0 0 273.348 3.044 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC000840998519 620301889 /nfs/dbraw/zinc/30/18/89/620301889.db2.gz HPIMUVZIWYQLIJ-CQSZACIVSA-N 0 0 293.407 3.378 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCOC1 ZINC000841756397 620402784 /nfs/dbraw/zinc/40/27/84/620402784.db2.gz XPHAFQKCGKKNJJ-OUAUKWLOSA-N 0 0 269.772 3.121 20 10 CGCDRN CCOc1ccc(O)c(CNc2cnn(C3CCC3)c2)c1 ZINC000897875213 620441660 /nfs/dbraw/zinc/44/16/60/620441660.db2.gz DDPOJSBKWNVMFA-UHFFFAOYSA-N 0 0 287.363 3.325 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897952886 620454041 /nfs/dbraw/zinc/45/40/41/620454041.db2.gz KTSCJMULTUGNLD-XHVZSJERSA-N 0 0 296.208 3.433 20 10 CGCDRN O=C(CSc1nccs1)c1cc(F)ccc1F ZINC000040677271 620543414 /nfs/dbraw/zinc/54/34/14/620543414.db2.gz XLMFRMOOLAKZHN-UHFFFAOYSA-N 0 0 271.313 3.396 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1c([O-])cccc1F ZINC000927068644 620569933 /nfs/dbraw/zinc/56/99/33/620569933.db2.gz 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/nfs/dbraw/zinc/57/85/50/623578550.db2.gz YBISMNZOAAPBJR-MDZDMXLPSA-N 0 0 289.356 3.113 20 10 CGCDRN C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccccc2O)C1 ZINC000152403964 623652837 /nfs/dbraw/zinc/65/28/37/623652837.db2.gz ZBHLKDFZKVIBMJ-GUYCJALGSA-N 0 0 277.408 3.059 20 10 CGCDRN Cc1cccc(-c2nnc(Sc3nccs3)n2C)c1 ZINC000914862862 623870575 /nfs/dbraw/zinc/87/05/75/623870575.db2.gz QHAMGYAECQOCFE-UHFFFAOYSA-N 0 0 288.401 3.398 20 10 CGCDRN Cn1ccnc1C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000917217483 624251663 /nfs/dbraw/zinc/25/16/63/624251663.db2.gz MBOOLFCFXFEHBO-UHFFFAOYSA-N 0 0 295.433 3.149 20 10 CGCDRN CC1(C)CCCN1C(=O)NCCCSc1nccs1 ZINC000154569371 624318887 /nfs/dbraw/zinc/31/88/87/624318887.db2.gz USXQLAWWTHGYSL-UHFFFAOYSA-N 0 0 299.465 3.209 20 10 CGCDRN COc1ccc2c(c1)N(Cc1cccc(C)c1O)CCO2 ZINC000154876414 624386580 /nfs/dbraw/zinc/38/65/80/624386580.db2.gz QWCFGBXELWDIPF-UHFFFAOYSA-N 0 0 285.343 3.108 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC=CC1 ZINC000154897670 624389053 /nfs/dbraw/zinc/38/90/53/624389053.db2.gz ONLRYGXUZNYDRF-UHFFFAOYSA-N 0 0 287.407 3.003 20 10 CGCDRN CCC/C(C)=C\C(=O)NCc1ccc(N(C)C)cc1 ZINC000920216848 624457418 /nfs/dbraw/zinc/45/74/18/624457418.db2.gz UXWBXAIEUZNULD-QBFSEMIESA-N 0 0 260.381 3.115 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2oc(C)cc2C)c1 ZINC000175263782 624624944 /nfs/dbraw/zinc/62/49/44/624624944.db2.gz QBUFXGKJWSLNIM-LLVKDONJSA-N 0 0 289.331 3.102 20 10 CGCDRN Cc1ccc(O)c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000180760162 624769199 /nfs/dbraw/zinc/76/91/99/624769199.db2.gz PLDYRZTWOOCWFR-UHFFFAOYSA-N 0 0 271.316 3.066 20 10 CGCDRN Cc1ccc(NC(=S)NCc2cc(C)ccn2)c(C)c1 ZINC000240679136 624878471 /nfs/dbraw/zinc/87/84/71/624878471.db2.gz AIIPZZGISMPAMI-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cnc2ccccc2n1 ZINC000183598548 625096212 /nfs/dbraw/zinc/09/62/12/625096212.db2.gz HMKIWJWYZJSQQH-NSHDSACASA-N 0 0 295.342 3.084 20 10 CGCDRN CCC(CC)(C[NH2+][C@H](C)c1ccc(F)cc1[O-])C(=O)OC ZINC000183876008 625161543 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CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756628918 626722035 /nfs/dbraw/zinc/72/20/35/626722035.db2.gz YTOAZRHMQTZTES-CKYFFXLPSA-N 0 0 287.350 3.118 20 10 CGCDRN CN(CCCOC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000756653329 626724688 /nfs/dbraw/zinc/72/46/88/626724688.db2.gz GZEBYKHQVSYHBI-UHFFFAOYSA-N 0 0 265.353 3.057 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000756683206 626726214 /nfs/dbraw/zinc/72/62/14/626726214.db2.gz KMROOTUNOWWAQH-SUNKGSAMSA-N 0 0 277.364 3.018 20 10 CGCDRN C[C@@H]([NH2+]CCCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756733675 626728954 /nfs/dbraw/zinc/72/89/54/626728954.db2.gz RWEILVZHMKIJCW-SNVBAGLBSA-N 0 0 264.325 3.141 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000756817544 626734225 /nfs/dbraw/zinc/73/42/25/626734225.db2.gz KNIDTAQTPZVZOP-QWRGUYRKSA-N 0 0 277.364 3.018 20 10 CGCDRN COc1ccc(N[C@H](C)c2cc(C)ccc2O)nc1 ZINC000756843292 626737486 /nfs/dbraw/zinc/73/74/86/626737486.db2.gz 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ZINC000774523763 628000790 /nfs/dbraw/zinc/00/07/90/628000790.db2.gz IJLWNXVTTCWRRA-UHFFFAOYSA-N 0 0 297.314 3.063 20 10 CGCDRN COc1cc(SC)ccc1NC(=O)C1=CC(=O)CS1 ZINC000774941026 628050716 /nfs/dbraw/zinc/05/07/16/628050716.db2.gz HASMUMCJJHHQPR-UHFFFAOYSA-N 0 0 295.385 3.437 20 10 CGCDRN C[C@H](NC(=O)c1cc2occc2[nH]1)c1ccc(N(C)C)cc1 ZINC000775412324 628092394 /nfs/dbraw/zinc/09/23/94/628092394.db2.gz WSQKOAFLHJUVGX-NSHDSACASA-N 0 0 297.358 3.318 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)CC(C)C)c1cc(Cl)ccc1O ZINC000775492213 628100176 /nfs/dbraw/zinc/10/01/76/628100176.db2.gz NLVSDYVQBZJPIK-JSGCOSHPSA-N 0 0 285.815 3.493 20 10 CGCDRN CC(C)OCCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775710082 628128732 /nfs/dbraw/zinc/12/87/32/628128732.db2.gz IOKMBZHWECUVHZ-UHFFFAOYSA-N 0 0 289.778 3.432 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000775717093 628129588 /nfs/dbraw/zinc/12/95/88/628129588.db2.gz MHNDZBJUABPHHH-INIZCTEOSA-N 0 0 295.810 3.438 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000775735960 628131286 /nfs/dbraw/zinc/13/12/86/628131286.db2.gz HLMGTZQIYQRHSO-QMTHXVAHSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000775735395 628131336 /nfs/dbraw/zinc/13/13/36/628131336.db2.gz RTJHPQQCRIZYOT-UHFFFAOYSA-N 0 0 299.773 3.187 20 10 CGCDRN C[C@@H]1CN(Cc2ccccc2O)c2cccc(F)c2O1 ZINC000776006281 628157506 /nfs/dbraw/zinc/15/75/06/628157506.db2.gz HDWKCKZXNUCZTN-LLVKDONJSA-N 0 0 273.307 3.319 20 10 CGCDRN CC(C)[C@@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000776048499 628160946 /nfs/dbraw/zinc/16/09/46/628160946.db2.gz NTJFHEKPKUUIOK-KRWDZBQOSA-N 0 0 299.418 3.003 20 10 CGCDRN CCCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776238373 628183587 /nfs/dbraw/zinc/18/35/87/628183587.db2.gz NGAWBRHZKLIPFJ-CYBMUJFWSA-N 0 0 289.423 3.398 20 10 CGCDRN CCOc1cccc(NCc2cc(C)c(C)cc2O)n1 ZINC000776250986 628183752 /nfs/dbraw/zinc/18/37/52/628183752.db2.gz NTDYJSKJTKXBFD-UHFFFAOYSA-N 0 0 272.348 3.415 20 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CCCC[C@H](CC)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779474695 628415576 /nfs/dbraw/zinc/41/55/76/628415576.db2.gz CIRILWROXDKXPF-KJJQSCHISA-N 0 0 291.391 3.444 20 10 CGCDRN COc1cccc(O)c1CN(C)c1ccc(C)cc1 ZINC000780768746 628515533 /nfs/dbraw/zinc/51/55/33/628515533.db2.gz DHBULUHKURRIPC-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000875007526 634669990 /nfs/dbraw/zinc/66/99/90/634669990.db2.gz WHWPEHMFNJHSTL-CYBMUJFWSA-N 0 0 296.370 3.221 20 10 CGCDRN Cc1cc(O)c(CNc2cccc3c2OCO3)cc1C ZINC000782380712 628643055 /nfs/dbraw/zinc/64/30/55/628643055.db2.gz IEOOVEYIIDJNRA-UHFFFAOYSA-N 0 0 271.316 3.350 20 10 CGCDRN CCCC[C@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782986517 628671219 /nfs/dbraw/zinc/67/12/19/628671219.db2.gz NOBRAWHOQMZTHH-NSHDSACASA-N 0 0 294.347 3.040 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000783306275 628702036 /nfs/dbraw/zinc/70/20/36/628702036.db2.gz GBPYNBKANDMNIU-NTZNESFSSA-N 0 0 277.364 3.018 20 10 CGCDRN CCON(CC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000875121425 634677487 /nfs/dbraw/zinc/67/74/87/634677487.db2.gz XOCGRTCVBHFBJY-UHFFFAOYSA-N 0 0 293.411 3.016 20 10 CGCDRN Cc1ccc(C(=O)N2CCCC3(CCCC3)C2)c(O)c1O ZINC000783847648 628751075 /nfs/dbraw/zinc/75/10/75/628751075.db2.gz RAKDVDUUXVFZHW-UHFFFAOYSA-N 0 0 289.375 3.203 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cnccc1C)CC2 ZINC000783906298 628756406 /nfs/dbraw/zinc/75/64/06/628756406.db2.gz IDJXZQSRUPXMEB-VOTSOKGWSA-N 0 0 278.355 3.301 20 10 CGCDRN CC(C)[C@@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000784044442 628771638 /nfs/dbraw/zinc/77/16/38/628771638.db2.gz ZPQRRDOTBKBYHW-MRXNPFEDSA-N 0 0 294.414 3.484 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C/c1cnccc1C ZINC000784099258 628778974 /nfs/dbraw/zinc/77/89/74/628778974.db2.gz MORZRKMKVMBUCO-GQCTYLIASA-N 0 0 278.355 3.301 20 10 CGCDRN CC(C)[C@H](F)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000784148904 628787611 /nfs/dbraw/zinc/78/76/11/628787611.db2.gz CUORZNNCDCTIIH-INIZCTEOSA-N 0 0 292.398 3.287 20 10 CGCDRN Cc1cccc([C@H](C)OC(=O)c2cccc(O)c2O)c1 ZINC000784797137 628833400 /nfs/dbraw/zinc/83/34/00/628833400.db2.gz DPLQTLZFJLMPAY-NSHDSACASA-N 0 0 272.300 3.324 20 10 CGCDRN CC(C)(C)c1cnc(SCCC2(O)CC2)s1 ZINC000785449173 628863390 /nfs/dbraw/zinc/86/33/90/628863390.db2.gz RPUHYAISPOVHCW-UHFFFAOYSA-N 0 0 257.424 3.448 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CCCC(C)(C)C2)c(O)c1O ZINC000785637371 628877052 /nfs/dbraw/zinc/87/70/52/628877052.db2.gz ITAOKICFWLZRDG-LLVKDONJSA-N 0 0 277.364 3.105 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C)C2)cc1 ZINC000788194755 629040372 /nfs/dbraw/zinc/04/03/72/629040372.db2.gz BDFGVDNKELSQKJ-UHFFFAOYSA-N 0 0 268.360 3.186 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H]2CC[C@H](C)O2)cc1 ZINC000789345350 629125821 /nfs/dbraw/zinc/12/58/21/629125821.db2.gz OUDUPWPTEGQEAU-BBRMVZONSA-N 0 0 263.381 3.479 20 10 CGCDRN CC[C@H](NC(=O)c1cccc(O)c1O)c1ccc(C)cc1 ZINC000790465573 629212209 /nfs/dbraw/zinc/21/22/09/629212209.db2.gz YJZVRXOXHDSQBW-AWEZNQCLSA-N 0 0 285.343 3.287 20 10 CGCDRN CC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000875647480 634718938 /nfs/dbraw/zinc/71/89/38/634718938.db2.gz ISEAWYYSMDCUSG-OAHLLOKOSA-N 0 0 288.391 3.386 20 10 CGCDRN COc1ccc(N(C)C[C@]2(C)CCCS2)cc1OC ZINC000862324334 629343452 /nfs/dbraw/zinc/34/34/52/629343452.db2.gz JUPYNPMKDWTVMN-HNNXBMFYSA-N 0 0 281.421 3.426 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000792175411 629344972 /nfs/dbraw/zinc/34/49/72/629344972.db2.gz TWXLQGBIXXQFEY-UHFFFAOYSA-N 0 0 299.773 3.187 20 10 CGCDRN Oc1ccc(Cl)c(F)c1Cn1cnc2c1CCCC2 ZINC000862431382 629370611 /nfs/dbraw/zinc/37/06/11/629370611.db2.gz IMVILYVWAJUHBN-UHFFFAOYSA-N 0 0 280.730 3.308 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccncc2F)cc1F ZINC000792684999 629375579 /nfs/dbraw/zinc/37/55/79/629375579.db2.gz DFUGJDLIKBHIPQ-UHFFFAOYSA-N 0 0 291.345 3.240 20 10 CGCDRN C[C@H]1CSCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000792718563 629376978 /nfs/dbraw/zinc/37/69/78/629376978.db2.gz AVHDSOZONSQOKX-GFCCVEGCSA-N 0 0 288.416 3.125 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1(C)COC1 ZINC000862476978 629383703 /nfs/dbraw/zinc/38/37/03/629383703.db2.gz GAKMVHJRQQMRRY-UHFFFAOYSA-N 0 0 290.190 3.167 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCc2c(O)cccc2C1 ZINC000862529472 629391205 /nfs/dbraw/zinc/39/12/05/629391205.db2.gz LMJKGBKBRGTUQN-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN CC1CCC(C)(CNC(=O)NCc2ccccc2O)CC1 ZINC000792953365 629397183 /nfs/dbraw/zinc/39/71/83/629397183.db2.gz QYCGJLLSCKZGJM-UHFFFAOYSA-N 0 0 290.407 3.408 20 10 CGCDRN CC(C)C1C[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000793191234 629425701 /nfs/dbraw/zinc/42/57/01/629425701.db2.gz XHGFEQOMECNHFG-UHFFFAOYSA-N 0 0 284.743 3.042 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2=CCC(C)(C)CC2)c1 ZINC000862754377 629429262 /nfs/dbraw/zinc/42/92/62/629429262.db2.gz CEHBXSDTJRDDFS-UHFFFAOYSA-N 0 0 273.376 3.453 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cccc3c2CCC3)c1 ZINC000862758999 629430652 /nfs/dbraw/zinc/43/06/52/629430652.db2.gz SODGVJKLRJISOU-UHFFFAOYSA-N 0 0 281.355 3.119 20 10 CGCDRN Cc1cccc(C2(C(=O)NCc3cc(C)ccc3O)CC2)c1 ZINC000862758989 629430761 /nfs/dbraw/zinc/43/07/61/629430761.db2.gz SGSISQVGKRZNNE-UHFFFAOYSA-N 0 0 295.382 3.357 20 10 CGCDRN C[C@H]1C[C@H](C)[NH+]1Cc1cccc(Br)c1[O-] ZINC000793227447 629431518 /nfs/dbraw/zinc/43/15/18/629431518.db2.gz CETCDOIAQTXDBD-IUCAKERBSA-N 0 0 270.170 3.137 20 10 CGCDRN CCOc1ccc(CNc2cccc3c2CCO3)c(O)c1 ZINC000793326619 629443466 /nfs/dbraw/zinc/44/34/66/629443466.db2.gz UCIRNWMYDJQKNV-UHFFFAOYSA-N 0 0 285.343 3.338 20 10 CGCDRN CSCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863167214 629488149 /nfs/dbraw/zinc/48/81/49/629488149.db2.gz GLCFBDIHISEUKM-UHFFFAOYSA-N 0 0 288.416 3.073 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nnc(C(C)C)[nH]2)cc1 ZINC000794415551 629540490 /nfs/dbraw/zinc/54/04/90/629540490.db2.gz XEWQWVGVXPJFIV-UHFFFAOYSA-N 0 0 288.395 3.353 20 10 CGCDRN COc1ccc(N(Cc2cc(C)ncn2)C(C)C)cc1F ZINC000794415634 629541099 /nfs/dbraw/zinc/54/10/99/629541099.db2.gz WGVFRIBYRIZZRV-UHFFFAOYSA-N 0 0 289.354 3.348 20 10 CGCDRN O=C(CSc1nccs1)[C@H]1Cc2ccccc21 ZINC000794427749 629542087 /nfs/dbraw/zinc/54/20/87/629542087.db2.gz QGPRJIGSWNNZMI-NSHDSACASA-N 0 0 261.371 3.144 20 10 CGCDRN COc1ccc(N(CCC(C)C)Cc2nnc(C)[nH]2)cc1 ZINC000794533544 629551031 /nfs/dbraw/zinc/55/10/31/629551031.db2.gz VORAIVCCRCZJAS-UHFFFAOYSA-N 0 0 288.395 3.174 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)F ZINC000875944754 634757263 /nfs/dbraw/zinc/75/72/63/634757263.db2.gz NIOYBSYAQRMRPE-UHFFFAOYSA-N 0 0 282.359 3.062 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccccc2O)[C@@H]1C ZINC000796636042 629808391 /nfs/dbraw/zinc/80/83/91/629808391.db2.gz KFGHUMMJHCSQRK-MCIONIFRSA-N 0 0 290.407 3.264 20 10 CGCDRN CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796758309 629827556 /nfs/dbraw/zinc/82/75/56/629827556.db2.gz FSMAEPZHHRXGMC-HOCLYGCPSA-N 0 0 283.387 3.369 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)s2)cc1 ZINC000015134548 629833398 /nfs/dbraw/zinc/83/33/98/629833398.db2.gz MWYQSFHWOFFMOX-UHFFFAOYSA-N 0 0 294.807 3.398 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)N(C)Cc2ccccc2O)[C@H]1c1ccccc1 ZINC000797737841 629979189 /nfs/dbraw/zinc/97/91/89/629979189.db2.gz LAQLZZFUKPOXCW-MORSLUCNSA-N 0 0 295.382 3.400 20 10 CGCDRN CCc1occc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000797745167 629980184 /nfs/dbraw/zinc/98/01/84/629980184.db2.gz XBBDKOBXVKBMDG-UHFFFAOYSA-N 0 0 299.370 3.356 20 10 CGCDRN COc1ccc(N(CC[C@H](C)O)Cc2ccco2)cc1F ZINC000798195072 630033200 /nfs/dbraw/zinc/03/32/00/630033200.db2.gz CQPLIVAXDQLJIK-LBPRGKRZSA-N 0 0 293.338 3.205 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCSC1 ZINC000801549707 630342901 /nfs/dbraw/zinc/34/29/01/630342901.db2.gz XGZCZJWDECCIKQ-AWEZNQCLSA-N 0 0 293.432 3.274 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C ZINC000801548220 630342997 /nfs/dbraw/zinc/34/29/97/630342997.db2.gz CDCKMMQDQJLGCA-OCCSQVGLSA-N 0 0 261.365 3.177 20 10 CGCDRN CO[C@H](CN(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000801936947 630370705 /nfs/dbraw/zinc/37/07/05/630370705.db2.gz ZXBGOARBFQLDAM-QGZVFWFLSA-N 0 0 285.343 3.239 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c(O)c1O ZINC000836887467 634823331 /nfs/dbraw/zinc/82/33/31/634823331.db2.gz FRSSSFWNETVIKT-ZIAGYGMSSA-N 0 0 291.391 3.159 20 10 CGCDRN CCOc1ccc(O)c(CNC2(C(F)F)CCCC2)c1 ZINC000808451453 630646462 /nfs/dbraw/zinc/64/64/62/630646462.db2.gz PMPIVAOLZJMVRE-UHFFFAOYSA-N 0 0 285.334 3.458 20 10 CGCDRN CCCN1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000809715764 630789510 /nfs/dbraw/zinc/78/95/10/630789510.db2.gz MHNUQOFFPGJHTI-ZDUSSCGKSA-N 0 0 282.815 3.010 20 10 CGCDRN COc1cccc(CN2CCCN(C)c3ccccc32)c1O ZINC000809785835 630808766 /nfs/dbraw/zinc/80/87/66/630808766.db2.gz DNXNKCOKMDPLSK-UHFFFAOYSA-N 0 0 298.386 3.247 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(c2)C(=O)OC3)cc1 ZINC000809788161 630809996 /nfs/dbraw/zinc/80/99/96/630809996.db2.gz IMXCERSBBGQQRK-UHFFFAOYSA-N 0 0 282.343 3.035 20 10 CGCDRN Cc1cccc(CN2CCC(=O)Nc3ccccc32)c1O ZINC000811508593 631079053 /nfs/dbraw/zinc/07/90/53/631079053.db2.gz YMMLWPZYHZRBIM-UHFFFAOYSA-N 0 0 282.343 3.049 20 10 CGCDRN CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000812779563 631307206 /nfs/dbraw/zinc/30/72/06/631307206.db2.gz RNBURDNDWICZOI-NSHDSACASA-N 0 0 290.190 3.044 20 10 CGCDRN CN(Cc1ccccc1O)c1cnc(-c2ccccc2)cn1 ZINC000813599142 631441446 /nfs/dbraw/zinc/44/14/46/631441446.db2.gz BTWCBYXDZULZDT-UHFFFAOYSA-N 0 0 291.354 3.486 20 10 CGCDRN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)ccn1C(C)C ZINC000814789465 631639601 /nfs/dbraw/zinc/63/96/01/631639601.db2.gz JHAVOVCXWGCLIS-UHFFFAOYSA-N 0 0 299.418 3.373 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCC1(OC)CCC1 ZINC000815014124 631703367 /nfs/dbraw/zinc/70/33/67/631703367.db2.gz XCUBRVSCWPOWIX-UHFFFAOYSA-N 0 0 275.392 3.407 20 10 CGCDRN CO[C@H](C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815573800 631798166 /nfs/dbraw/zinc/79/81/66/631798166.db2.gz UNYDXJXWNPNVLT-NXEZZACHSA-N 0 0 291.313 3.487 20 10 CGCDRN C[C@H]([NH2+]CCc1cn[nH]c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815627887 631808834 /nfs/dbraw/zinc/80/88/34/631808834.db2.gz MCJLJHQQYIUOBH-VIFPVBQESA-N 0 0 299.296 3.027 20 10 CGCDRN C[N@H+](Cc1ccoc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816495024 631993749 /nfs/dbraw/zinc/99/37/49/631993749.db2.gz HMYKSOOYWICFIU-UHFFFAOYSA-N 0 0 269.703 3.410 20 10 CGCDRN Cc1cc(CNCc2ccc3ccccc3c2O)no1 ZINC000816540690 632006065 /nfs/dbraw/zinc/00/60/65/632006065.db2.gz SDBPVJTUGATOQV-UHFFFAOYSA-N 0 0 268.316 3.132 20 10 CGCDRN CCOC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816589842 632018978 /nfs/dbraw/zinc/01/89/78/632018978.db2.gz KNFDIYZJCYRTJM-ZDUSSCGKSA-N 0 0 289.778 3.335 20 10 CGCDRN CCc1noc(C)c1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816638474 632028718 /nfs/dbraw/zinc/02/87/18/632028718.db2.gz NLNNQEWDHCFDNO-UHFFFAOYSA-N 0 0 298.745 3.333 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817550719 632181608 /nfs/dbraw/zinc/18/16/08/632181608.db2.gz YRMPYLMEOVVORZ-ZNMIVQPWSA-N 0 0 299.414 3.323 20 10 CGCDRN C[C@@H](NCC[NH2+]C1CC1)c1cc(Cl)c(Cl)cc1O ZINC000817952307 632247797 /nfs/dbraw/zinc/24/77/97/632247797.db2.gz DMYOKOQRSIMRQW-MRVPVSSYSA-N 0 0 289.206 3.102 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000818355487 632313043 /nfs/dbraw/zinc/31/30/43/632313043.db2.gz GXEBGISFPSGZJA-WKPIXPDZSA-N 0 0 289.375 3.018 20 10 CGCDRN CC(C)CC[C@@H](O)CNc1ccccc1OCCF ZINC000819489950 632472032 /nfs/dbraw/zinc/47/20/32/632472032.db2.gz ZHAUXNYPSDVGCC-CYBMUJFWSA-N 0 0 269.360 3.244 20 10 CGCDRN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820444784 632629475 /nfs/dbraw/zinc/62/94/75/632629475.db2.gz FTIQAPKSLWDZBQ-MNOVXSKESA-N 0 0 288.351 3.110 20 10 CGCDRN CC1(C)CC[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000820451139 632630534 /nfs/dbraw/zinc/63/05/34/632630534.db2.gz RQZORDUCSRZSGP-TXNVCOODSA-N 0 0 276.332 3.233 20 10 CGCDRN CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820478602 632635520 /nfs/dbraw/zinc/63/55/20/632635520.db2.gz JCTWDMQEJYBLCE-GXFFZTMASA-N 0 0 288.351 3.110 20 10 CGCDRN CC[C@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820843528 632685632 /nfs/dbraw/zinc/68/56/32/632685632.db2.gz POEVWTGUMSUVCN-OAHLLOKOSA-N 0 0 288.351 3.111 20 10 CGCDRN COc1ccc2c(c1)CCN2C[C@]1(C)CCCS1 ZINC000820850825 632686668 /nfs/dbraw/zinc/68/66/68/632686668.db2.gz HYHQEUNDKZINEJ-HNNXBMFYSA-N 0 0 263.406 3.343 20 10 CGCDRN Cc1ncoc1-c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000820922657 632700225 /nfs/dbraw/zinc/70/02/25/632700225.db2.gz QFZOBMVLZCJRCK-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(N(C)C)c(F)c1 ZINC000865864322 632926557 /nfs/dbraw/zinc/92/65/57/632926557.db2.gz GNNQZVUECGTNQS-UHFFFAOYSA-N 0 0 290.338 3.218 20 10 CGCDRN C[C@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822602021 632982508 /nfs/dbraw/zinc/98/25/08/632982508.db2.gz FHMVTGLAJLJLRZ-QWRGUYRKSA-N 0 0 288.351 3.015 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC(C)(C)C ZINC000840478256 633087497 /nfs/dbraw/zinc/08/74/97/633087497.db2.gz FHOWVRIMDAZGIH-ZDUSSCGKSA-N 0 0 291.439 3.090 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000866449894 633139742 /nfs/dbraw/zinc/13/97/42/633139742.db2.gz LAHBUEIQGBIFOH-LEWSCRJBSA-N 0 0 295.354 3.110 20 10 CGCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000866634675 633223165 /nfs/dbraw/zinc/22/31/65/633223165.db2.gz SQVLIAIMCPVRQW-CKYFFXLPSA-N 0 0 271.788 3.246 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2sc(C)cc2C)c1 ZINC000866767252 633241351 /nfs/dbraw/zinc/24/13/51/633241351.db2.gz NWCRNEVWISGUFG-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000867503158 633249257 /nfs/dbraw/zinc/24/92/57/633249257.db2.gz GULHGSFDVBGJAN-QMWOBKFGSA-N 0 0 286.419 3.222 20 10 CGCDRN CCC[C@@H](CC)NC(=O)N[C@H](C)c1ccccc1O ZINC000868168799 633300347 /nfs/dbraw/zinc/30/03/47/633300347.db2.gz XZRLBVAOWQKHLH-VXGBXAGGSA-N 0 0 264.369 3.331 20 10 CGCDRN CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000824845627 633300552 /nfs/dbraw/zinc/30/05/52/633300552.db2.gz MORRGNCGLVPEIQ-ZFWWWQNUSA-N 0 0 299.842 3.424 20 10 CGCDRN CS[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868321028 633314206 /nfs/dbraw/zinc/31/42/06/633314206.db2.gz NPMNMMMTTIGOOQ-GRYCIOLGSA-N 0 0 294.420 3.037 20 10 CGCDRN CCC1(CNC(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000868346579 633317069 /nfs/dbraw/zinc/31/70/69/633317069.db2.gz FCNMGWMDXVITDQ-GFCCVEGCSA-N 0 0 276.380 3.333 20 10 CGCDRN C[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1ccccc1O ZINC000868396800 633320747 /nfs/dbraw/zinc/32/07/47/633320747.db2.gz OCEKHAABUIIFTG-ABAIWWIYSA-N 0 0 294.420 3.038 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825290271 633342549 /nfs/dbraw/zinc/34/25/49/633342549.db2.gz SCIHIWQFPIQNCA-TZMCWYRMSA-N 0 0 287.762 3.232 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H](COC)CC2)c(O)c1 ZINC000825321595 633344629 /nfs/dbraw/zinc/34/46/29/633344629.db2.gz IGEMUKDNMCHROQ-CQSZACIVSA-N 0 0 293.407 3.039 20 10 CGCDRN Cc1csc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868668381 633350119 /nfs/dbraw/zinc/35/01/19/633350119.db2.gz KREMRJQUFCZLOI-LLVKDONJSA-N 0 0 290.388 3.323 20 10 CGCDRN C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)CC(F)F ZINC000868734522 633356650 /nfs/dbraw/zinc/35/66/50/633356650.db2.gz VJXOCVRHHKEQFU-NXEZZACHSA-N 0 0 286.322 3.044 20 10 CGCDRN C[C@H](NC(=O)NC1CC2(CCC2)C1)c1ccccc1O ZINC000868749761 633357975 /nfs/dbraw/zinc/35/79/75/633357975.db2.gz SCNXRQDOJBVIJN-NSHDSACASA-N 0 0 274.364 3.085 20 10 CGCDRN CC[C@@H](C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868765804 633359646 /nfs/dbraw/zinc/35/96/46/633359646.db2.gz JIAXUSQZSJHMME-VXGBXAGGSA-N 0 0 264.369 3.189 20 10 CGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H]1CCCC[C@H]1C ZINC000825613141 633367811 /nfs/dbraw/zinc/36/78/11/633367811.db2.gz FHJFHQKYJUTEQZ-PWSUYJOCSA-N 0 0 267.394 3.495 20 10 CGCDRN CC1(C)CC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845196090 636014225 /nfs/dbraw/zinc/01/42/25/636014225.db2.gz LMAPQQYEUCPSPW-GFCCVEGCSA-N 0 0 282.771 3.033 20 10 CGCDRN C[C@]1(C2CC2)CN(Cc2c(O)cccc2Cl)CCO1 ZINC000826877186 633440085 /nfs/dbraw/zinc/44/00/85/633440085.db2.gz CEMCZLOKUXUFIM-OAHLLOKOSA-N 0 0 281.783 3.047 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CC=CCC2)c1 ZINC000827165785 633466654 /nfs/dbraw/zinc/46/66/54/633466654.db2.gz AZYHQLFHFZCWBK-CYBMUJFWSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1nnc(CN(C)Cc2ccc3ccccc3c2O)s1 ZINC000827806838 633520787 /nfs/dbraw/zinc/52/07/87/633520787.db2.gz WRMZLLVYCWTASE-UHFFFAOYSA-N 0 0 299.399 3.337 20 10 CGCDRN C[C@@H](O)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000827856223 633525565 /nfs/dbraw/zinc/52/55/65/633525565.db2.gz MZVZHYOVTGDUDY-ABAIWWIYSA-N 0 0 291.778 3.257 20 10 CGCDRN C[C@@H](NC(=O)CC1=CCCCC1)c1ccccc1O ZINC000827937174 633536726 /nfs/dbraw/zinc/53/67/26/633536726.db2.gz NCXIOESYKMNDJT-GFCCVEGCSA-N 0 0 259.349 3.460 20 10 CGCDRN CCC[C@H]1C[C@H](C(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827940341 633537389 /nfs/dbraw/zinc/53/73/89/633537389.db2.gz BACDWCPEMDXJKS-MCIONIFRSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1CCC[C@@H]1C)c1ccccc1O ZINC000827941856 633538079 /nfs/dbraw/zinc/53/80/79/633538079.db2.gz 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/nfs/dbraw/zinc/72/22/99/633722299.db2.gz BYEFXAOFOMYPAN-LSDHHAIUSA-N 0 0 297.329 3.177 20 10 CGCDRN CC(C)=C[C@@H]1[C@H](C(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC000871198626 633722335 /nfs/dbraw/zinc/72/23/35/633722335.db2.gz LFGROYBIIJYMAF-GDBMZVCRSA-N 0 0 285.387 3.473 20 10 CGCDRN O=C([C@@H]1CCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871197995 633722666 /nfs/dbraw/zinc/72/26/66/633722666.db2.gz CPOGMXJSMRAXER-MRXNPFEDSA-N 0 0 293.366 3.355 20 10 CGCDRN CC(=O)CCCCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871202798 633723085 /nfs/dbraw/zinc/72/30/85/633723085.db2.gz GLJQRLKPHJDYOC-UHFFFAOYSA-N 0 0 289.375 3.164 20 10 CGCDRN CCS[C@@H](C(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000871200503 633723652 /nfs/dbraw/zinc/72/36/52/633723652.db2.gz CVUFOCXVLSBNFT-CQSZACIVSA-N 0 0 279.405 3.012 20 10 CGCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000871203440 633724166 /nfs/dbraw/zinc/72/41/66/633724166.db2.gz LSRHVIGHFTUPSP-UHFFFAOYSA-N 0 0 273.376 3.451 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)CC(F)(F)F ZINC000830140854 633831736 /nfs/dbraw/zinc/83/17/36/633831736.db2.gz IXYDZNTUCMQZHX-UHFFFAOYSA-N 0 0 289.297 3.329 20 10 CGCDRN CC(C)COC(=O)CNc1ccccc1NC(C)C ZINC000871845625 633890483 /nfs/dbraw/zinc/89/04/83/633890483.db2.gz FDDWZTWNOKHASR-UHFFFAOYSA-N 0 0 264.369 3.118 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)N1CCCCCC1 ZINC000871847699 633894001 /nfs/dbraw/zinc/89/40/01/633894001.db2.gz VLRUPVOFXWEICK-UHFFFAOYSA-N 0 0 289.423 3.321 20 10 CGCDRN CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000831033588 633911846 /nfs/dbraw/zinc/91/18/46/633911846.db2.gz ZKJIDXIDUIYMJI-SWLSCSKDSA-N 0 0 291.391 3.233 20 10 CGCDRN CC[C@H](C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000019264623 633916783 /nfs/dbraw/zinc/91/67/83/633916783.db2.gz BELHYKQGAICXSF-HNNXBMFYSA-N 0 0 254.333 3.401 20 10 CGCDRN C[C@@H](NC(=O)OC1CCCC1)c1ccc(N(C)C)cc1 ZINC000831140782 633919973 /nfs/dbraw/zinc/91/99/73/633919973.db2.gz NVHMIYGZJGAMGJ-GFCCVEGCSA-N 0 0 276.380 3.482 20 10 CGCDRN COc1ccc(N(CC2CC2)CC2CCOCC2)cc1 ZINC000831588088 633980149 /nfs/dbraw/zinc/98/01/49/633980149.db2.gz SGKIODZVNIMBGP-UHFFFAOYSA-N 0 0 275.392 3.338 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC1(C)C)c1ccc(N(C)C)cc1 ZINC000832435927 634059027 /nfs/dbraw/zinc/05/90/27/634059027.db2.gz GXFKUNVZLPENEI-WFASDCNBSA-N 0 0 274.408 3.366 20 10 CGCDRN Cc1cccc(C)c1OCCN(C)c1ccc(N)cc1 ZINC000019727628 634219414 /nfs/dbraw/zinc/21/94/14/634219414.db2.gz LNJISQADTSYCKU-UHFFFAOYSA-N 0 0 270.376 3.401 20 10 CGCDRN C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(F)cc1[O-] ZINC000834818787 634247100 /nfs/dbraw/zinc/24/71/00/634247100.db2.gz OZJDBUIIXPXGPV-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H](NCc1nn(C)cc1Cl)c1ccc(C)cc1O ZINC000834882346 634264368 /nfs/dbraw/zinc/26/43/68/634264368.db2.gz JMDYBUVTJPZMPY-ZDUSSCGKSA-N 0 0 293.798 3.328 20 10 CGCDRN CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834882968 634265805 /nfs/dbraw/zinc/26/58/05/634265805.db2.gz FKBCKCCQOOELBJ-AEJSXWLSSA-N 0 0 255.308 3.367 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1 ZINC000834886978 634267868 /nfs/dbraw/zinc/26/78/68/634267868.db2.gz WZMKJVVBWJBTNU-CJNGLKHVSA-N 0 0 293.407 3.327 20 10 CGCDRN CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000834902701 634278899 /nfs/dbraw/zinc/27/88/99/634278899.db2.gz FUDMLVBERAFJDJ-OLBFVZFUSA-N 0 0 285.334 3.135 20 10 CGCDRN CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000834905162 634281386 /nfs/dbraw/zinc/28/13/86/634281386.db2.gz TZMHNBGUIKUNHK-CYBMUJFWSA-N 0 0 283.387 3.369 20 10 CGCDRN Cc1ccc(CCCC(=O)NCc2ccc(N)cc2)s1 ZINC000837302759 634882009 /nfs/dbraw/zinc/88/20/09/634882009.db2.gz FOYKFWAMMCRDIL-UHFFFAOYSA-N 0 0 288.416 3.278 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCS1 ZINC000876747578 634891738 /nfs/dbraw/zinc/89/17/38/634891738.db2.gz HGJHWZQVMAIDRD-CYBMUJFWSA-N 0 0 251.395 3.028 20 10 CGCDRN C[C@@H](C(=O)NCCCSc1nccs1)C1CCC1 ZINC000837414975 634905439 /nfs/dbraw/zinc/90/54/39/634905439.db2.gz UKBZWSPESGXMBP-SNVBAGLBSA-N 0 0 284.450 3.178 20 10 CGCDRN COCc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876910422 634927307 /nfs/dbraw/zinc/92/73/07/634927307.db2.gz ZMAATSPKNAHMKQ-UHFFFAOYSA-N 0 0 293.313 3.107 20 10 CGCDRN CC(C)Cc1nc(C(=O)N(C)c2ccc(N)cc2)cs1 ZINC000877077633 634975122 /nfs/dbraw/zinc/97/51/22/634975122.db2.gz PKPZHWNDAZKPRI-UHFFFAOYSA-N 0 0 289.404 3.200 20 10 CGCDRN CCCCS[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877078358 634975746 /nfs/dbraw/zinc/97/57/46/634975746.db2.gz NLSVGSISVHVBJD-LLVKDONJSA-N 0 0 266.410 3.153 20 10 CGCDRN CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877133459 634996861 /nfs/dbraw/zinc/99/68/61/634996861.db2.gz BNMOIPSLNSCNPA-JTQLQIEISA-N 0 0 292.329 3.479 20 10 CGCDRN Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877135788 634997843 /nfs/dbraw/zinc/99/78/43/634997843.db2.gz NEEWQSUPHZWSLZ-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877171049 635007356 /nfs/dbraw/zinc/00/73/56/635007356.db2.gz XSYKDLKPICEUMN-JTQLQIEISA-N 0 0 278.302 3.258 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCC[C@@H]1CCO1 ZINC000877180268 635008055 /nfs/dbraw/zinc/00/80/55/635008055.db2.gz IGKNSQPEHUODTF-CQSZACIVSA-N 0 0 261.365 3.017 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C\C1CC1 ZINC000840555869 635022906 /nfs/dbraw/zinc/02/29/06/635022906.db2.gz JKMNKKRFLLJZTI-YHAOYDPOSA-N 0 0 286.419 3.074 20 10 CGCDRN Cc1csc([C@H](C)C[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000877332458 635027984 /nfs/dbraw/zinc/02/79/84/635027984.db2.gz BECUBILKRHLMNL-MRVPVSSYSA-N 0 0 298.358 3.329 20 10 CGCDRN COCc1ccc(NCc2ccc(C)cc2O)cc1 ZINC000877480539 635053983 /nfs/dbraw/zinc/05/39/83/635053983.db2.gz YSHKAQVVUZAWAV-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2csnn2)cc1 ZINC000840886262 635074006 /nfs/dbraw/zinc/07/40/06/635074006.db2.gz UBYIJSWGZQIZTM-VXGBXAGGSA-N 0 0 290.436 3.406 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000840954967 635091949 /nfs/dbraw/zinc/09/19/49/635091949.db2.gz OCQSRJYNRANUSQ-AWEZNQCLSA-N 0 0 281.783 3.047 20 10 CGCDRN Cc1cccc(CNc2cccc([C@H]3CCC(=O)N3)c2)c1O ZINC000840972323 635097798 /nfs/dbraw/zinc/09/77/98/635097798.db2.gz KUYAXWRTFHQNRM-MRXNPFEDSA-N 0 0 296.370 3.264 20 10 CGCDRN Cc1cccc(O)c1C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000877607856 635109709 /nfs/dbraw/zinc/10/97/09/635109709.db2.gz MSTYHUQDJPQATI-CQSZACIVSA-N 0 0 275.392 3.092 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000877682782 635143988 /nfs/dbraw/zinc/14/39/88/635143988.db2.gz TXMLNFYCFNHCPZ-NWDGAFQWSA-N 0 0 257.736 3.416 20 10 CGCDRN CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(N)cc2)c1C ZINC000841297329 635148913 /nfs/dbraw/zinc/14/89/13/635148913.db2.gz OQQXULOLDBVVKL-SNVBAGLBSA-N 0 0 287.367 3.389 20 10 CGCDRN CC(C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@@H]1C(C)C ZINC000841297874 635149490 /nfs/dbraw/zinc/14/94/90/635149490.db2.gz JLIOPNBMRHPLSK-LSDHHAIUSA-N 0 0 275.396 3.413 20 10 CGCDRN CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841300130 635150184 /nfs/dbraw/zinc/15/01/84/635150184.db2.gz OHEKBDWINAJVOX-UONOGXRCSA-N 0 0 293.436 3.455 20 10 CGCDRN Cc1ccc(CCC[N@@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877702589 635154412 /nfs/dbraw/zinc/15/44/12/635154412.db2.gz COWDTWQMLRPXIO-UHFFFAOYSA-N 0 0 268.360 3.044 20 10 CGCDRN Cc1sccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000841495888 635187898 /nfs/dbraw/zinc/18/78/98/635187898.db2.gz KPEKZGRUYUCRIQ-POHAHGRESA-N 0 0 281.427 3.420 20 10 CGCDRN CC(C)OC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000877808348 635211668 /nfs/dbraw/zinc/21/16/68/635211668.db2.gz ZRFHVBZLOMXERA-UHFFFAOYSA-N 0 0 285.334 3.108 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841744776 635221953 /nfs/dbraw/zinc/22/19/53/635221953.db2.gz LAQDAKJSDGCKEU-QWRGUYRKSA-N 0 0 269.772 3.123 20 10 CGCDRN CC[C@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841832093 635241198 /nfs/dbraw/zinc/24/11/98/635241198.db2.gz GZIXXBXOTMCAOI-BBRMVZONSA-N 0 0 289.423 3.079 20 10 CGCDRN CC(C)[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954317 635251482 /nfs/dbraw/zinc/25/14/82/635251482.db2.gz LBPVLYUMBJXBQK-INIZCTEOSA-N 0 0 289.423 3.031 20 10 CGCDRN Cc1cc(C)c([C@H](C)Nc2ccc3c(c2)nnn3C)c(O)c1 ZINC000842899818 635509582 /nfs/dbraw/zinc/50/95/82/635509582.db2.gz CSHSOQZFAYXXDB-LBPRGKRZSA-N 0 0 296.374 3.464 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000878863751 635645414 /nfs/dbraw/zinc/64/54/14/635645414.db2.gz DUEPESXFOKEWHV-RDJZCZTQSA-N 0 0 286.419 3.113 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000843435677 635676032 /nfs/dbraw/zinc/67/60/32/635676032.db2.gz XELLZDXWTQKYLX-ATZCPNFKSA-N 0 0 269.747 3.463 20 10 CGCDRN CCOC(=O)[C@@H](N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879650820 635828658 /nfs/dbraw/zinc/82/86/58/635828658.db2.gz REIBSSGFHOIMIH-GUYCJALGSA-N 0 0 299.370 3.347 20 10 CGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(OC)cc1O ZINC000879846846 635871731 /nfs/dbraw/zinc/87/17/31/635871731.db2.gz PAMUZQRTKPQNKW-SUMWQHHRSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000844352690 635877588 /nfs/dbraw/zinc/87/75/88/635877588.db2.gz CKWJDSYUHDSLQY-GFCCVEGCSA-N 0 0 294.395 3.045 20 10 CGCDRN CCCC(C)(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000844356283 635878376 /nfs/dbraw/zinc/87/83/76/635878376.db2.gz HAASTISKINMKHO-UHFFFAOYSA-N 0 0 280.387 3.334 20 10 CGCDRN CCC[C@@H](CC)NC(=O)NCc1cc(Cl)ccc1O ZINC000844936373 635987974 /nfs/dbraw/zinc/98/79/74/635987974.db2.gz ORBKKGZPVUDDIB-GFCCVEGCSA-N 0 0 284.787 3.424 20 10 CGCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000844954678 635989279 /nfs/dbraw/zinc/98/92/79/635989279.db2.gz RYAHNKRTEKJHET-JOYOIKCWSA-N 0 0 282.771 3.033 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1ccc(Cl)nn1 ZINC000845705895 636083070 /nfs/dbraw/zinc/08/30/70/636083070.db2.gz XIRAZEFHVQFJFS-UHFFFAOYSA-N 0 0 270.119 3.101 20 10 CGCDRN COc1cccc([C@@H](C)Nc2cc(C)ccn2)c1O ZINC000846160193 636151252 /nfs/dbraw/zinc/15/12/52/636151252.db2.gz UKBJAJUTACFMNV-LLVKDONJSA-N 0 0 258.321 3.277 20 10 CGCDRN COc1cccc([C@@H](C)Nc2ccc3c(c2)OCO3)c1O ZINC000846160415 636151374 /nfs/dbraw/zinc/15/13/74/636151374.db2.gz VKPJOPBEYXQEME-SNVBAGLBSA-N 0 0 287.315 3.303 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846213928 636160084 /nfs/dbraw/zinc/16/00/84/636160084.db2.gz QFXVKDFGMNJKLA-NXEZZACHSA-N 0 0 266.341 3.386 20 10 CGCDRN O=C(/C=C/C1CCCC1)NCc1cc(Cl)ccc1O ZINC000846476901 636189191 /nfs/dbraw/zinc/18/91/91/636189191.db2.gz PSZRKOSKJMOUSC-VMPITWQZSA-N 0 0 279.767 3.408 20 10 CGCDRN CC(C)(C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846480641 636189631 /nfs/dbraw/zinc/18/96/31/636189631.db2.gz WNKKZZOOQOQUSG-UHFFFAOYSA-N 0 0 255.745 3.098 20 10 CGCDRN Cn1cnc(CSc2ncc(C(C)(C)C)s2)c1 ZINC000882137970 636267907 /nfs/dbraw/zinc/26/79/07/636267907.db2.gz ALINPYGZBVEAEH-UHFFFAOYSA-N 0 0 267.423 3.466 20 10 CGCDRN COC(=O)c1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000882203074 636291018 /nfs/dbraw/zinc/29/10/18/636291018.db2.gz NFIXXKQSOVREKB-GFCCVEGCSA-N 0 0 299.374 3.107 20 10 CGCDRN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882980491 636487114 /nfs/dbraw/zinc/48/71/14/636487114.db2.gz KURAEHMQCNEGOV-SNVBAGLBSA-N 0 0 293.313 3.097 20 10 CGCDRN CC(C)c1c[nH]c(CNc2ccccc2OCCF)n1 ZINC000883132066 636549790 /nfs/dbraw/zinc/54/97/90/636549790.db2.gz DZUZMASWMLXCTK-UHFFFAOYSA-N 0 0 277.343 3.494 20 10 CGCDRN Cc1ccccc1C(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000848386848 636565502 /nfs/dbraw/zinc/56/55/02/636565502.db2.gz YETJPNHPVPPLIA-UHFFFAOYSA-N 0 0 275.373 3.427 20 10 CGCDRN COCC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCCCC1 ZINC000883183226 636570112 /nfs/dbraw/zinc/57/01/12/636570112.db2.gz WKECZADBZNRLDC-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCC(F)(F)CC1 ZINC000848442549 636577740 /nfs/dbraw/zinc/57/77/40/636577740.db2.gz GDNHNCQJJKMZMB-LLVKDONJSA-N 0 0 296.361 3.142 20 10 CGCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCCO1 ZINC000883195813 636578588 /nfs/dbraw/zinc/57/85/88/636578588.db2.gz CQRMAZLSPMDAGI-ZDUSSCGKSA-N 0 0 285.334 3.108 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000883199723 636581336 /nfs/dbraw/zinc/58/13/36/636581336.db2.gz NJGSIDOALNWDTH-AWEZNQCLSA-N 0 0 297.345 3.252 20 10 CGCDRN Cc1noc(CN(C)Cc2cc(C(C)C)c(C)cc2O)n1 ZINC000848503586 636582329 /nfs/dbraw/zinc/58/23/29/636582329.db2.gz JFLSRFWLDTZOQT-UHFFFAOYSA-N 0 0 289.379 3.147 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cc(F)cc(F)c1[O-] ZINC000883247062 636616449 /nfs/dbraw/zinc/61/64/49/636616449.db2.gz YIVUCCHLFOEOCQ-ZJUUUORDSA-N 0 0 253.292 3.287 20 10 CGCDRN CCc1cccc(CNc2ccc(N3CCC3=O)cc2)c1O ZINC000848909544 636686238 /nfs/dbraw/zinc/68/62/38/636686238.db2.gz WFFSBQLOEWLANG-UHFFFAOYSA-N 0 0 296.370 3.303 20 10 CGCDRN CCN(Cc1cccc(OC)c1O)c1ccccc1 ZINC000131757360 636746380 /nfs/dbraw/zinc/74/63/80/636746380.db2.gz CHDBGSWZORJPHO-UHFFFAOYSA-N 0 0 257.333 3.427 20 10 CGCDRN CC(C)(C)c1nnc(NCCCSc2nccs2)o1 ZINC000849164489 636757211 /nfs/dbraw/zinc/75/72/11/636757211.db2.gz MDDIVYSLEBDFPQ-UHFFFAOYSA-N 0 0 298.437 3.418 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC1(CC2CC2)CC1 ZINC000883864326 636864827 /nfs/dbraw/zinc/86/48/27/636864827.db2.gz GBCZQRXBGWIGPO-UHFFFAOYSA-N 0 0 288.391 3.114 20 10 CGCDRN C[C@H]1CCCN(C(=O)CSc2ncc(Cl)s2)C1 ZINC000849998054 636924276 /nfs/dbraw/zinc/92/42/76/636924276.db2.gz JLKICPDARUHFBP-QMMMGPOBSA-N 0 0 290.841 3.147 20 10 CGCDRN CC1(C)OC[C@@H](CSc2ncc(Cl)s2)O1 ZINC000850000481 636925151 /nfs/dbraw/zinc/92/51/51/636925151.db2.gz WNILVJUAMFWKNP-LURJTMIESA-N 0 0 265.787 3.040 20 10 CGCDRN CC(C)S(=O)(=O)CCCSc1ncc(Cl)s1 ZINC000850000151 636925287 /nfs/dbraw/zinc/92/52/87/636925287.db2.gz LANPKNSSHNHUHN-UHFFFAOYSA-N 0 0 299.870 3.102 20 10 CGCDRN CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134900453 637048288 /nfs/dbraw/zinc/04/82/88/637048288.db2.gz ZPWOGKCOLFFQHK-ZETCQYMHSA-N 0 0 276.149 3.354 20 10 CGCDRN COc1cc(CNCC(C)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850311562 637014660 /nfs/dbraw/zinc/01/46/60/637014660.db2.gz USNRDZSJURMYQF-UHFFFAOYSA-N 0 0 287.350 3.443 20 10 CGCDRN CC(C)(C)OCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850371503 637035025 /nfs/dbraw/zinc/03/50/25/637035025.db2.gz XKPHICQFPBLFMH-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850524151 637102917 /nfs/dbraw/zinc/10/29/17/637102917.db2.gz FJYZNCJBWZUIIY-MWLCHTKSSA-N 0 0 283.318 3.033 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000850523866 637103414 /nfs/dbraw/zinc/10/34/14/637103414.db2.gz QGSBKKONCOLCDB-TZMCWYRMSA-N 0 0 279.355 3.284 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cccc(Cl)c1[O-] ZINC000850545107 637116048 /nfs/dbraw/zinc/11/60/48/637116048.db2.gz FAVLMZLCAVFWNG-IHRRRGAJSA-N 0 0 295.810 3.390 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC[C@H](C3CC3)O2)cc1OC ZINC000885965298 637334862 /nfs/dbraw/zinc/33/48/62/637334862.db2.gz LMBYURZGYHINQN-HUUCEWRRSA-N 0 0 291.391 3.098 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc(OC)ns2)cc1 ZINC000851779566 637498790 /nfs/dbraw/zinc/49/87/90/637498790.db2.gz ATBXTGLGNKGIRW-UHFFFAOYSA-N 0 0 278.377 3.187 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1c([O-])cccc1F ZINC000886496706 637542134 /nfs/dbraw/zinc/54/21/34/637542134.db2.gz DLPUDCWDTAGWMO-WDEREUQCSA-N 0 0 263.312 3.406 20 10 CGCDRN C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886510862 637547769 /nfs/dbraw/zinc/54/77/69/637547769.db2.gz BGWDCQKJNXORGY-NWDGAFQWSA-N 0 0 289.350 3.435 20 10 CGCDRN Cc1nc(C)c(CC[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886524018 637550516 /nfs/dbraw/zinc/55/05/16/637550516.db2.gz ATLIULDYQGVWEK-JTQLQIEISA-N 0 0 294.395 3.498 20 10 CGCDRN Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526256 637552849 /nfs/dbraw/zinc/55/28/49/637552849.db2.gz IFJDZEUSXNTFOY-BLLLJJGKSA-N 0 0 289.350 3.224 20 10 CGCDRN CSc1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)ccn1 ZINC000886543579 637568862 /nfs/dbraw/zinc/56/88/62/637568862.db2.gz QTSYPAKSUZCZNB-SNVBAGLBSA-N 0 0 292.379 3.499 20 10 CGCDRN COCCc1ccnc(N[C@H](C)c2c(O)cccc2F)c1 ZINC000886609590 637603033 /nfs/dbraw/zinc/60/30/33/637603033.db2.gz WWWWUBXMSDDNRJ-LLVKDONJSA-N 0 0 290.338 3.288 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H](O)c1ccccc1 ZINC000886610460 637603640 /nfs/dbraw/zinc/60/36/40/637603640.db2.gz BRLHRVAOQOBUMS-JKDFXYPNSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1c([O-])cccc1F ZINC000886614524 637605813 /nfs/dbraw/zinc/60/58/13/637605813.db2.gz ZTGAGVNURRZEOF-QMMMGPOBSA-N 0 0 259.271 3.227 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1c([O-])cccc1F ZINC000886638563 637623735 /nfs/dbraw/zinc/62/37/35/637623735.db2.gz WZXSCVSAYKSIMB-WOPDTQHZSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1cc(C(=O)N[C@]23C[C@H]2CCC3)c(C)n1-c1ccccn1 ZINC000887041452 637732965 /nfs/dbraw/zinc/73/29/65/637732965.db2.gz CJLXENVLNARXOE-RDTXWAMCSA-N 0 0 295.386 3.162 20 10 CGCDRN CN(C)c1ccc(CNc2nccnc2OC2CCC2)cc1 ZINC000853094454 637755998 /nfs/dbraw/zinc/75/59/98/637755998.db2.gz YDMZFKYALLKEKE-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN O=C1/C(=C\c2ccc(Cl)cn2)SC(=S)N1C1CC1 ZINC000887272866 637787740 /nfs/dbraw/zinc/78/77/40/637787740.db2.gz XKLPJRKAEKHPQS-BJMVGYQFSA-N 0 0 296.804 3.099 20 10 CGCDRN CC[C@@H](N[C@@H](C)C[NH2+]C)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231113 638028485 /nfs/dbraw/zinc/02/84/85/638028485.db2.gz DUPHHXARWLQTDT-QPUJVOFHSA-N 0 0 291.222 3.348 20 10 CGCDRN C[C@H]1CCCC[C@@]1(C)NC(=O)C1=CC(=O)CS1 ZINC000854904726 638119022 /nfs/dbraw/zinc/11/90/22/638119022.db2.gz WWPFZVXHXCLNNN-TVQRCGJNSA-N 0 0 253.367 3.152 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](C2CCC2)C1 ZINC000856171011 638311296 /nfs/dbraw/zinc/31/12/96/638311296.db2.gz GMFHPMDYCYTJCJ-LLVKDONJSA-N 0 0 265.378 3.106 20 10 CGCDRN Cc1ccc(C(=O)N(CCC2CC2)CC2CC2)c(O)c1O ZINC000856283522 638336242 /nfs/dbraw/zinc/33/62/42/638336242.db2.gz DNFFBNFFYHWKQN-UHFFFAOYSA-N 0 0 289.375 3.059 20 10 CGCDRN CC[C@@H](CC(=O)NCc1cc(OC)ccc1O)C(C)C ZINC000114541838 638375854 /nfs/dbraw/zinc/37/58/54/638375854.db2.gz XVQYNWFAELGLJS-LBPRGKRZSA-N 0 0 279.380 3.089 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857065634 638448324 /nfs/dbraw/zinc/44/83/24/638448324.db2.gz RVNQUJNRTXIKKJ-VIFPVBQESA-N 0 0 278.154 3.205 20 10 CGCDRN Cc1ccc(NCc2cc(F)c(N(C)C)cc2F)nc1 ZINC000858101254 638628350 /nfs/dbraw/zinc/62/83/50/638628350.db2.gz GERGPCWDQOXFPL-UHFFFAOYSA-N 0 0 277.318 3.346 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858109308 638630179 /nfs/dbraw/zinc/63/01/79/638630179.db2.gz TWWOJHYRQXGCJR-CYBMUJFWSA-N 0 0 278.396 3.469 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000858126374 638638047 /nfs/dbraw/zinc/63/80/47/638638047.db2.gz VWYBOAMQBKGKEQ-MRXNPFEDSA-N 0 0 296.370 3.187 20 10 CGCDRN COc1ccncc1NCc1cc(F)c(N(C)C)cc1F ZINC000858153393 638644844 /nfs/dbraw/zinc/64/48/44/638644844.db2.gz MRAGGVSPRASLBM-UHFFFAOYSA-N 0 0 293.317 3.047 20 10 CGCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(F)(F)F ZINC000858182666 638650625 /nfs/dbraw/zinc/65/06/25/638650625.db2.gz BZZUMLXMUWTRGS-SSDOTTSWSA-N 0 0 282.256 3.071 20 10 CGCDRN CN(C)c1ccc(CN(C)c2nc(Cl)cs2)cc1 ZINC000858323572 638681774 /nfs/dbraw/zinc/68/17/74/638681774.db2.gz IUIAXJAPXXHGJN-UHFFFAOYSA-N 0 0 281.812 3.499 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000858360286 638692244 /nfs/dbraw/zinc/69/22/44/638692244.db2.gz ZCVLMWDYPRQNHZ-AWEZNQCLSA-N 0 0 298.386 3.304 20 10 CGCDRN CCC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])OCC ZINC000858451444 638722960 /nfs/dbraw/zinc/72/29/60/638722960.db2.gz SFALLEJRKJDOSD-YPMHNXCESA-N 0 0 296.367 3.156 20 10 CGCDRN C[C@H](Nc1cnn(CCF)c1)c1ccc(Cl)cc1O ZINC000858492257 638742388 /nfs/dbraw/zinc/74/23/88/638742388.db2.gz LVPSWLWJODZEJL-VIFPVBQESA-N 0 0 283.734 3.385 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000858530550 638756866 /nfs/dbraw/zinc/75/68/66/638756866.db2.gz IEKZQCGQTLTAEA-MRXNPFEDSA-N 0 0 288.391 3.079 20 10 CGCDRN CC(C)[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1cnn(C)c1 ZINC000927066966 638837208 /nfs/dbraw/zinc/83/72/08/638837208.db2.gz PLUDLPCVKUXTMK-BZNIZROVSA-N 0 0 291.370 3.313 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1c([O-])cccc1F ZINC000927089347 638840033 /nfs/dbraw/zinc/84/00/33/638840033.db2.gz ADUYOQIAVCEFLJ-LLVKDONJSA-N 0 0 287.334 3.317 20 10 CGCDRN COC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000927096033 638841328 /nfs/dbraw/zinc/84/13/28/638841328.db2.gz IUYFBHVJMNTOIG-RYUDHWBXSA-N 0 0 269.360 3.101 20 10 CGCDRN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cc(F)cc(F)c1[O-] ZINC000927160048 638848890 /nfs/dbraw/zinc/84/88/90/638848890.db2.gz KOURAWFRMZMAJF-QMTHXVAHSA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCS[C@@H](C)C1)c1ccccc1O ZINC000927228310 638850433 /nfs/dbraw/zinc/85/04/33/638850433.db2.gz DWBCHABKEFISMR-SRVKXCTJSA-N 0 0 294.420 3.037 20 10 CGCDRN CCC(CC)[C@H](C)C(=O)NCc1c(O)cccc1F ZINC000928704569 638889382 /nfs/dbraw/zinc/88/93/82/638889382.db2.gz CGVUIOVHPVKRKY-JTQLQIEISA-N 0 0 267.344 3.220 20 10 CGCDRN COc1ccc(N(C)Cc2ncccc2Cl)c(OC)c1 ZINC000859204886 639107937 /nfs/dbraw/zinc/10/79/37/639107937.db2.gz ONDDWFNDKFYWSL-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN Nc1ccc(CNC(=O)CC2CCC(F)(F)CC2)cc1 ZINC000859593994 639170844 /nfs/dbraw/zinc/17/08/44/639170844.db2.gz MTUFZOJXZHQDJC-UHFFFAOYSA-N 0 0 282.334 3.101 20 10 CGCDRN COCCCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000117877318 639473409 /nfs/dbraw/zinc/47/34/09/639473409.db2.gz ODOZIZJALPYZPV-UHFFFAOYSA-N 0 0 269.360 3.476 20 10 CGCDRN CC[C@H](C)CCC(=O)NCc1ccc2cccnc2c1O ZINC000862026390 639634699 /nfs/dbraw/zinc/63/46/99/639634699.db2.gz MWZXPRTXPPQQST-LBPRGKRZSA-N 0 0 286.375 3.383 20 10 CGCDRN COc1cccc(CNC(=O)C(C)(C)CC(C)(C)C)c1O ZINC000934941023 639721324 /nfs/dbraw/zinc/72/13/24/639721324.db2.gz VGXJIWVPGFSEGL-UHFFFAOYSA-N 0 0 293.407 3.479 20 10 CGCDRN C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(N)cc1 ZINC000042782165 639920812 /nfs/dbraw/zinc/92/08/12/639920812.db2.gz UXMHLMWGGUSVSF-SNVBAGLBSA-N 0 0 287.388 3.482 20 10 CGCDRN Cc1c(F)cccc1NCc1cc2c(cc1O)OCO2 ZINC000043320499 639925448 /nfs/dbraw/zinc/92/54/48/639925448.db2.gz DLRPACBFBCMQST-UHFFFAOYSA-N 0 0 275.279 3.181 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(-n3ccnc3)cc2)c1 ZINC000155951436 639958627 /nfs/dbraw/zinc/95/86/27/639958627.db2.gz USCKIKVKWZNOTF-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN Cc1ccc(NC(=O)CSc2nccs2)cc1F ZINC000047240660 640007129 /nfs/dbraw/zinc/00/71/29/640007129.db2.gz DQGFVICSVKHHEW-UHFFFAOYSA-N 0 0 282.365 3.321 20 10 CGCDRN CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188423312 640134712 /nfs/dbraw/zinc/13/47/12/640134712.db2.gz CKIXLHLSWBOIHK-MNOVXSKESA-N 0 0 277.364 3.137 20 10 CGCDRN Cc1cc(O)c([C@@H]2Nc3ccccc3C(=O)N2C)cc1C ZINC000078753453 640339512 /nfs/dbraw/zinc/33/95/12/640339512.db2.gz UFZDTUQZOADLRY-MRXNPFEDSA-N 0 0 282.343 3.205 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C=C(C)C)cc1 ZINC000079391317 640400167 /nfs/dbraw/zinc/40/01/67/640400167.db2.gz AEUZUKKCXXUVJM-UHFFFAOYSA-N 0 0 260.381 3.115 20 10 CGCDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000113220734 640972319 /nfs/dbraw/zinc/97/23/19/640972319.db2.gz WDMOIXITRXYXPP-CUZBXDDWSA-N 0 0 284.311 3.415 20 10 CGCDRN COc1cc(-c2nc3c(cc(C)cc3C)[nH]2)cc(O)c1O ZINC001250488806 805648893 /nfs/dbraw/zinc/64/88/93/805648893.db2.gz OHZWPHAGPXESOT-UHFFFAOYSA-N 0 0 284.315 3.267 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccc(C3CC3)nn2)cc1 ZINC001156920381 805753096 /nfs/dbraw/zinc/75/30/96/805753096.db2.gz BIBZBNORRAHTKP-UHFFFAOYSA-N 0 0 282.391 3.056 20 10 CGCDRN CCCC[C@@H](C)C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001157103182 805777729 /nfs/dbraw/zinc/77/77/29/805777729.db2.gz VTBGUKIOWCTLSS-GFCCVEGCSA-N 0 0 284.396 3.320 20 10 CGCDRN Oc1cc(O)c(-c2nc3c(cc(Cl)cc3F)[nH]2)cc1O ZINC001251355564 805886797 /nfs/dbraw/zinc/88/67/97/805886797.db2.gz UKCAZWGUTQHPJO-UHFFFAOYSA-N 0 0 294.669 3.139 20 10 CGCDRN Cc1cc(Cl)cc(NCc2ccc(O)c(O)c2)n1 ZINC001158994562 806027949 /nfs/dbraw/zinc/02/79/49/806027949.db2.gz PNKIJCPXHGMXAR-UHFFFAOYSA-N 0 0 264.712 3.067 20 10 CGCDRN CCNc1ccnc(Cl)c1Nc1ccc(N)cc1 ZINC001159222836 806060196 /nfs/dbraw/zinc/06/01/96/806060196.db2.gz LBLGMLIJZOQPGM-UHFFFAOYSA-N 0 0 262.744 3.493 20 10 CGCDRN COc1cc(NCc2cc3ccccc3cc2O)nc(C)n1 ZINC001160207960 806235221 /nfs/dbraw/zinc/23/52/21/806235221.db2.gz YEARDUZGFOPIDY-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN Cc1cc(C)c(CNc2cc(-c3nnco3)ccn2)c(O)c1 ZINC001160811228 806305967 /nfs/dbraw/zinc/30/59/67/806305967.db2.gz HQMQKQFHOYMMBB-UHFFFAOYSA-N 0 0 296.330 3.066 20 10 CGCDRN Cc1csc2ncnc(NCc3ccc(N)cc3)c12 ZINC001162784066 806664388 /nfs/dbraw/zinc/66/43/88/806664388.db2.gz FPPRTDUPSMMITA-UHFFFAOYSA-N 0 0 270.361 3.194 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000087778607 798947606 /nfs/dbraw/zinc/94/76/06/798947606.db2.gz FPYGXRLBWWGRPP-LRDDRELGSA-N 0 0 291.366 3.498 20 10 CGCDRN Nc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000168228044 799085617 /nfs/dbraw/zinc/08/56/17/799085617.db2.gz PQNNPVDTORNSLI-CYBMUJFWSA-N 0 0 272.373 3.389 20 10 CGCDRN CCOC(=O)c1cnc(Sc2ccccc2OC)s1 ZINC000311476599 799224446 /nfs/dbraw/zinc/22/44/46/799224446.db2.gz ZUDRKVBJAZJEAB-UHFFFAOYSA-N 0 0 295.385 3.480 20 10 CGCDRN C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000379819000 799353090 /nfs/dbraw/zinc/35/30/90/799353090.db2.gz SQFFXLMLNSADMF-LDYMZIIASA-N 0 0 270.170 3.043 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000380004410 799356325 /nfs/dbraw/zinc/35/63/25/799356325.db2.gz BCCIYGMMEZHFQX-LLVKDONJSA-N 0 0 288.174 3.481 20 10 CGCDRN C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CC2CCC1CC2 ZINC000381561216 799381732 /nfs/dbraw/zinc/38/17/32/799381732.db2.gz WMHLLBZULCIWDK-BBCYWQGDSA-N 0 0 289.375 3.042 20 10 CGCDRN CCN(CC)c1ccc(CNCc2nccn2CC)cc1 ZINC000385442652 799425922 /nfs/dbraw/zinc/42/59/22/799425922.db2.gz HRCWHEJDTQFQQQ-UHFFFAOYSA-N 0 0 286.423 3.039 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)[C@@H](C)CO1 ZINC000403810483 799572167 /nfs/dbraw/zinc/57/21/67/799572167.db2.gz JOUHZPZPHUOJLI-GWCFXTLKSA-N 0 0 299.798 3.054 20 10 CGCDRN Cc1cccc(C)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405684 799689385 /nfs/dbraw/zinc/68/93/85/799689385.db2.gz IQISQVUCECXJIL-CLFYSBASSA-N 0 0 283.327 3.367 20 10 CGCDRN C[C@@H]1C[C@H](C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588408601 799690227 /nfs/dbraw/zinc/69/02/27/799690227.db2.gz LPQDIYQMWHJHSM-FSMZVQOTSA-N 0 0 289.375 3.006 20 10 CGCDRN CC[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000689165576 799761848 /nfs/dbraw/zinc/76/18/48/799761848.db2.gz BCRLDALSWDJFCI-GHMZBOCLSA-N 0 0 269.772 3.045 20 10 CGCDRN COc1cccc(NCc2cc(C)ccc2O)c1F ZINC000690046138 799772878 /nfs/dbraw/zinc/77/28/78/799772878.db2.gz IYFDLQLYVWRASE-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000694614116 799822754 /nfs/dbraw/zinc/82/27/54/799822754.db2.gz KYSHHKQXJQWCTR-GFCCVEGCSA-N 0 0 261.369 3.169 20 10 CGCDRN COc1ccc(CN[C@H](C)c2cscn2)cc1C ZINC000697820474 799849993 /nfs/dbraw/zinc/84/99/93/799849993.db2.gz SRIIPAYMTDPWRR-LLVKDONJSA-N 0 0 262.378 3.311 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CCCC2(F)F)ccc(F)c1F ZINC000703261319 799921312 /nfs/dbraw/zinc/92/13/12/799921312.db2.gz UXECRLXNMPNDEE-SECBINFHSA-N 0 0 277.261 3.195 20 10 CGCDRN C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417079 799924347 /nfs/dbraw/zinc/92/43/47/799924347.db2.gz HVIFPQLFTXMNFM-ZCFIWIBFSA-N 0 0 269.213 3.101 20 10 CGCDRN C[C@@H]1[N@H+](Cc2cccc(Cl)c2[O-])CCOC1(C)C ZINC000707696070 799978701 /nfs/dbraw/zinc/97/87/01/799978701.db2.gz FRXSAZPWSMBTTG-JTQLQIEISA-N 0 0 269.772 3.045 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CCCS1 ZINC000708409356 799988683 /nfs/dbraw/zinc/98/86/83/799988683.db2.gz NFZILVFAEFIDJD-NSHDSACASA-N 0 0 273.348 3.046 20 10 CGCDRN CSC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000708465929 799989071 /nfs/dbraw/zinc/98/90/71/799989071.db2.gz LTXFNQNRZAFKPS-UHFFFAOYSA-N 0 0 273.348 3.046 20 10 CGCDRN C[C@@H](CC1CCC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000710258803 800032006 /nfs/dbraw/zinc/03/20/06/800032006.db2.gz DTYCSZKZNYGNIP-VIFPVBQESA-N 0 0 255.308 3.339 20 10 CGCDRN CC(C)C[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715702033 800144275 /nfs/dbraw/zinc/14/42/75/800144275.db2.gz HSRXVAFNJZRXAP-UHFFFAOYSA-N 0 0 290.176 3.382 20 10 CGCDRN C[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715704530 800144359 /nfs/dbraw/zinc/14/43/59/800144359.db2.gz XAEZZYVUBXQXFL-MRVPVSSYSA-N 0 0 288.160 3.278 20 10 CGCDRN CCc1cccc(CN(CC)CC(F)(F)F)c1O ZINC000821983240 800458784 /nfs/dbraw/zinc/45/87/84/800458784.db2.gz PFYFPYXDTXTMNO-UHFFFAOYSA-N 0 0 261.287 3.339 20 10 CGCDRN CCCCCCc1nnc(-c2cc(O)c(O)c(OC)c2)o1 ZINC001256395677 806881675 /nfs/dbraw/zinc/88/16/75/806881675.db2.gz LKAUGUDWBRIPIM-UHFFFAOYSA-N 0 0 292.335 3.279 20 10 CGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC001118763881 802599291 /nfs/dbraw/zinc/59/92/91/802599291.db2.gz MWXRMYRKNOHNGV-ZJUUUORDSA-N 0 0 253.367 3.010 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1O ZINC001119452135 802667480 /nfs/dbraw/zinc/66/74/80/802667480.db2.gz OYFNEZOFCABEEZ-PAPYEOQZSA-N 0 0 288.391 3.331 20 10 CGCDRN O=C(CC1CCCCCC1)NCc1cccc(O)c1O ZINC001123978607 802986852 /nfs/dbraw/zinc/98/68/52/802986852.db2.gz VIPAWTMQVMLEFQ-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN Cn1c(=O)cnc2ccc(-c3cc(C4CC4)cnc3F)cc21 ZINC001243861063 803056273 /nfs/dbraw/zinc/05/62/73/803056273.db2.gz RENAXLXORASSSD-UHFFFAOYSA-N 0 0 295.317 3.012 20 10 CGCDRN Nc1cc(Cl)ccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001244202512 803242154 /nfs/dbraw/zinc/24/21/54/803242154.db2.gz RFLDPNPYNGTAKM-UHFFFAOYSA-N 0 0 274.751 3.161 20 10 CGCDRN CCN(C(=O)C1=CC(=O)CS1)c1ccc(OC)cc1 ZINC001136169910 803634446 /nfs/dbraw/zinc/63/44/46/803634446.db2.gz GCZJHDLKPPPCFA-UHFFFAOYSA-N 0 0 277.345 3.129 20 10 CGCDRN CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC001136811061 803653934 /nfs/dbraw/zinc/65/39/34/803653934.db2.gz WAXGBGAEXNMAPU-GOSISDBHSA-N 0 0 299.370 3.461 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2cnccc2c1 ZINC001137345740 803720497 /nfs/dbraw/zinc/72/04/97/803720497.db2.gz VMCQSRJPGXMRSE-UHFFFAOYSA-N 0 0 292.338 3.213 20 10 CGCDRN CC[N@H+](Cc1c[nH]c2ncccc12)Cc1ccccc1O ZINC001137404966 803729841 /nfs/dbraw/zinc/72/98/41/803729841.db2.gz XXIDDMFFERZMFE-UHFFFAOYSA-N 0 0 281.359 3.291 20 10 CGCDRN C[C@H](C(=O)NCc1ccccc1O)[C@H](C)C(C)(C)C ZINC001137471392 803735456 /nfs/dbraw/zinc/73/54/56/803735456.db2.gz JDWAKUHANWDGGX-RYUDHWBXSA-N 0 0 263.381 3.327 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001138127482 803862738 /nfs/dbraw/zinc/86/27/38/803862738.db2.gz FTQSFLFMXKWABO-ZDUSSCGKSA-N 0 0 286.350 3.306 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001139681100 804249934 /nfs/dbraw/zinc/24/99/34/804249934.db2.gz IGQZGOPFLMGRBK-GHMZBOCLSA-N 0 0 267.319 3.292 20 10 CGCDRN CC[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685975 804254254 /nfs/dbraw/zinc/25/42/54/804254254.db2.gz HZUJAKKPIXUXAA-SNVBAGLBSA-N 0 0 255.308 3.292 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CC(c2ccccc2)C1 ZINC001139686277 804254982 /nfs/dbraw/zinc/25/49/82/804254982.db2.gz SAMYSYXEAPIMBQ-UHFFFAOYSA-N 0 0 275.298 3.270 20 10 CGCDRN Cc1cccc(-c2noc(-c3csnn3)n2)c1Cl ZINC001212362015 815010232 /nfs/dbraw/zinc/01/02/32/815010232.db2.gz KLRUKXQRERIUKU-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN Oc1ccc(F)cc1CN1CCCC[C@H]1C(F)(F)F ZINC001140055625 804363124 /nfs/dbraw/zinc/36/31/24/804363124.db2.gz NNAPZRMYBQBLMN-LBPRGKRZSA-N 0 0 277.261 3.448 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(Cl)c1 ZINC001140925131 804550270 /nfs/dbraw/zinc/55/02/70/804550270.db2.gz OJSALZVTFNBUBN-MRXNPFEDSA-N 0 0 294.826 3.161 20 10 CGCDRN Cc1ccc(CN2CCCCC(F)(F)C2)c(O)c1 ZINC001140948167 804555899 /nfs/dbraw/zinc/55/58/99/804555899.db2.gz WDEXMFPGLDKPJQ-UHFFFAOYSA-N 0 0 255.308 3.322 20 10 CGCDRN CC[C@H](CO)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965645 807018673 /nfs/dbraw/zinc/01/86/73/807018673.db2.gz GSUMYLPMEOWHJK-GFCCVEGCSA-N 0 0 283.331 3.013 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c(OC)c1 ZINC001141032327 804575906 /nfs/dbraw/zinc/57/59/06/804575906.db2.gz YINNTILDQMRQPN-OLZOCXBDSA-N 0 0 293.407 3.277 20 10 CGCDRN C[C@@H]1CCN(Cc2cc(F)c(F)cc2O)CC1(F)F ZINC001142508649 804727963 /nfs/dbraw/zinc/72/79/63/804727963.db2.gz GQFZGINVFXTZDV-MRVPVSSYSA-N 0 0 277.261 3.148 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC2)CC1 ZINC001142512693 804729141 /nfs/dbraw/zinc/72/91/41/804729141.db2.gz IKBGDZVONXEIMV-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001143003263 804792645 /nfs/dbraw/zinc/79/26/45/804792645.db2.gz MHYPNYOESSWBFY-LSDHHAIUSA-N 0 0 297.354 3.001 20 10 CGCDRN CC(C)(C)c1cccc(CN2CC3(C2)CCCO3)c1O ZINC001143103994 804801399 /nfs/dbraw/zinc/80/13/99/804801399.db2.gz NYZZQNHJCVWTCI-UHFFFAOYSA-N 0 0 275.392 3.055 20 10 CGCDRN CCc1cccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1 ZINC001247958847 804856320 /nfs/dbraw/zinc/85/63/20/804856320.db2.gz FTZQVUCMALEPBD-UHFFFAOYSA-N 0 0 296.326 3.301 20 10 CGCDRN COc1ccc(F)c(-c2noc(Cc3ccc(N)cc3)n2)c1 ZINC001248183471 804891480 /nfs/dbraw/zinc/89/14/80/804891480.db2.gz IHMUAPQRTSHFSX-UHFFFAOYSA-N 0 0 299.305 3.057 20 10 CGCDRN CCC[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144298998 804970758 /nfs/dbraw/zinc/97/07/58/804970758.db2.gz OGVPSLLRISKVRM-UHFFFAOYSA-N 0 0 276.149 3.136 20 10 CGCDRN C[C@H](CC(=O)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001144425755 804986086 /nfs/dbraw/zinc/98/60/86/804986086.db2.gz ZKADHOWWDWDIDN-CQSZACIVSA-N 0 0 295.382 3.471 20 10 CGCDRN Cc1ccc2[nH]c(CN3CCc4cccc(O)c4C3)nc2c1 ZINC001248842837 805016684 /nfs/dbraw/zinc/01/66/84/805016684.db2.gz MAKOGXYYCYRYJN-UHFFFAOYSA-N 0 0 293.370 3.135 20 10 CGCDRN CC[C@H](C)C1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC001148224735 805169412 /nfs/dbraw/zinc/16/94/12/805169412.db2.gz UCVYPELKORDDCH-HIFPTAJRSA-N 0 0 291.391 3.433 20 10 CGCDRN Nc1ccc(Nc2cc(F)cc(N)c2Cl)cc1 ZINC001249653652 805203154 /nfs/dbraw/zinc/20/31/54/805203154.db2.gz STPRTCUCHCJSMX-UHFFFAOYSA-N 0 0 251.692 3.387 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc2cc(F)ccc2n1 ZINC001153897436 805420821 /nfs/dbraw/zinc/42/08/21/805420821.db2.gz FEOSLTGCOPWGIT-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN CCN(Cc1ccccc1O)c1nccc(C(F)F)n1 ZINC001154889143 805504155 /nfs/dbraw/zinc/50/41/55/805504155.db2.gz QGPOKFILFOXNFP-UHFFFAOYSA-N 0 0 279.290 3.146 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc([C@H]4CCCOC4)o3)cc2)c1 ZINC001256961596 807016871 /nfs/dbraw/zinc/01/68/71/807016871.db2.gz RMECSEZMOWARTG-AWEZNQCLSA-N 0 0 295.342 3.421 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc([C@@H]4CCCOC4)o3)cc2)c1 ZINC001256961597 807016925 /nfs/dbraw/zinc/01/69/25/807016925.db2.gz RMECSEZMOWARTG-CQSZACIVSA-N 0 0 295.342 3.421 20 10 CGCDRN COc1ccncc1CSc1ncc(Cl)s1 ZINC001166587000 807058988 /nfs/dbraw/zinc/05/89/88/807058988.db2.gz MBEXSUAVQYOURF-UHFFFAOYSA-N 0 0 272.782 3.492 20 10 CGCDRN Cc1cc(-c2noc(-c3nnsc3C3CC3)n2)cc(C)n1 ZINC001212680403 815101401 /nfs/dbraw/zinc/10/14/01/815101401.db2.gz CCSZKMGCPQBTKI-UHFFFAOYSA-N 0 0 299.359 3.144 20 10 CGCDRN COC/C(C)=C\CN(C)c1ccc(OC)c(Cl)c1 ZINC001167881785 807267182 /nfs/dbraw/zinc/26/71/82/807267182.db2.gz RRRGASAEGQLWPA-XFFZJAGNSA-N 0 0 269.772 3.378 20 10 CGCDRN Cc1conc1CN(Cc1ccco1)Cc1ccccc1O ZINC001167984557 807290736 /nfs/dbraw/zinc/29/07/36/807290736.db2.gz SXMVJIRCBRLQDN-UHFFFAOYSA-N 0 0 298.342 3.484 20 10 CGCDRN Cc1ccc(NCCc2cc(O)c(O)cc2O)c2cc[nH]c21 ZINC001168013927 807301234 /nfs/dbraw/zinc/30/12/34/807301234.db2.gz LSZWCCBPDZPRAG-UHFFFAOYSA-N 0 0 298.342 3.248 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC3(CCC3)CO2)c(OC)c1 ZINC001168317124 807382823 /nfs/dbraw/zinc/38/28/23/807382823.db2.gz IORYTJIQYVHRRL-CQSZACIVSA-N 0 0 291.391 3.099 20 10 CGCDRN COc1ncc(NCc2ccc(O)c(O)c2)c2ccccc21 ZINC001169995235 807736298 /nfs/dbraw/zinc/73/62/98/807736298.db2.gz VJFFPKTYAVUXQB-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN CCOC(=O)[C@H](CC(C)(C)F)Nc1ccccc1NC ZINC001170792673 807907971 /nfs/dbraw/zinc/90/79/71/807907971.db2.gz AKKRPQBXXXLRIF-ZDUSSCGKSA-N 0 0 282.359 3.210 20 10 CGCDRN CNc1ccccc1N[C@H]1CCc2ccc(O)cc2C1 ZINC001171039350 807969445 /nfs/dbraw/zinc/96/94/45/807969445.db2.gz IBDKPPCADXQVOA-AWEZNQCLSA-N 0 0 268.360 3.403 20 10 CGCDRN Nc1cccc(NCc2cc(Br)ccc2O)c1 ZINC001171176374 808000945 /nfs/dbraw/zinc/00/09/45/808000945.db2.gz MYNIFKWCIGXNOU-UHFFFAOYSA-N 0 0 293.164 3.349 20 10 CGCDRN COc1cc(OC)c(Nc2ccc(N)cc2)c(OC)c1 ZINC001173910359 808755828 /nfs/dbraw/zinc/75/58/28/808755828.db2.gz RGXSRVUOGCLGKQ-UHFFFAOYSA-N 0 0 274.320 3.038 20 10 CGCDRN COc1ccc(Nc2ccnc3ccccc32)c(O)c1 ZINC001174039981 808838947 /nfs/dbraw/zinc/83/89/47/808838947.db2.gz LRQCLZDEGAHCLX-UHFFFAOYSA-N 0 0 266.300 3.115 20 10 CGCDRN Oc1cccc(Nc2cc(F)c(F)cc2F)c1O ZINC001175087322 809264578 /nfs/dbraw/zinc/26/45/78/809264578.db2.gz ZIFQUJMKENSAHZ-UHFFFAOYSA-N 0 0 255.195 3.259 20 10 CGCDRN CCOc1ccc(N(CCO)c2ccc(N)cc2)cc1C ZINC001175170945 809296083 /nfs/dbraw/zinc/29/60/83/809296083.db2.gz GIHJTDCWBAFDSI-UHFFFAOYSA-N 0 0 286.375 3.106 20 10 CGCDRN O=C(Nc1cc(C(F)F)ccc1F)c1cccc(O)c1O ZINC001300315895 809566019 /nfs/dbraw/zinc/56/60/19/809566019.db2.gz MPQVDJAYUZRNOR-UHFFFAOYSA-N 0 0 297.232 3.427 20 10 CGCDRN CCC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001302530602 809596954 /nfs/dbraw/zinc/59/69/54/809596954.db2.gz SEFQKZWTEAHLPO-GFCCVEGCSA-N 0 0 297.354 3.476 20 10 CGCDRN Oc1cc(Cl)cc(Nc2cccc(O)c2O)c1 ZINC001176624095 809733472 /nfs/dbraw/zinc/73/34/72/809733472.db2.gz ARHBMKYYWMJSSQ-UHFFFAOYSA-N 0 0 251.669 3.200 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c1 ZINC001179814604 809947532 /nfs/dbraw/zinc/94/75/32/809947532.db2.gz APKRJZZVMGSLST-IUODEOHRSA-N 0 0 290.363 3.216 20 10 CGCDRN CC(C)(C)C[N@H+](CCCO)Cc1ccc(Cl)cc1[O-] ZINC001180007314 809967422 /nfs/dbraw/zinc/96/74/22/809967422.db2.gz VEYACHIYACPFFA-UHFFFAOYSA-N 0 0 285.815 3.276 20 10 CGCDRN Cc1ccc(CC(=O)N2CCc3cccc(O)c3C2)cc1C ZINC001180460736 810003289 /nfs/dbraw/zinc/00/32/89/810003289.db2.gz UGOHPXJDOGENGY-UHFFFAOYSA-N 0 0 295.382 3.136 20 10 CGCDRN CCc1cccc(CNc2c[nH]nc2-c2ccccn2)c1O ZINC001180480227 810005347 /nfs/dbraw/zinc/00/53/47/810005347.db2.gz XAFNWVWQQIDKTH-UHFFFAOYSA-N 0 0 294.358 3.352 20 10 CGCDRN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(F)c1O ZINC001181244905 810044319 /nfs/dbraw/zinc/04/43/19/810044319.db2.gz XSBBUWVQHQIGJK-UHFFFAOYSA-N 0 0 291.370 3.184 20 10 CGCDRN [O-]c1c(C[N@@H+]2C[C@H]3CCCC[C@H]32)ccc(F)c1F ZINC001182742695 810122338 /nfs/dbraw/zinc/12/23/38/810122338.db2.gz HGQRFELHHANXDD-BXKDBHETSA-N 0 0 253.292 3.045 20 10 CGCDRN COc1ccc(N(C)Cc2cn3cc(C)ccc3n2)cc1 ZINC001182734420 810122607 /nfs/dbraw/zinc/12/26/07/810122607.db2.gz UWTXBEHDSBTJBB-UHFFFAOYSA-N 0 0 281.359 3.288 20 10 CGCDRN CCc1cccc(CNc2ccccc2-n2nccn2)c1O ZINC001183863632 810165583 /nfs/dbraw/zinc/16/55/83/810165583.db2.gz FNVZMUZGYKPJLI-UHFFFAOYSA-N 0 0 294.358 3.147 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001183920239 810169624 /nfs/dbraw/zinc/16/96/24/810169624.db2.gz VWYYETJJLHRDCR-ZIAGYGMSSA-N 0 0 271.335 3.425 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc2cc[nH]c(=O)c2c1 ZINC001213963018 815352086 /nfs/dbraw/zinc/35/20/86/815352086.db2.gz JUQRPVIROYOAAN-UHFFFAOYSA-N 0 0 265.316 3.291 20 10 CGCDRN CCN(CC)C(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186829845 810363944 /nfs/dbraw/zinc/36/39/44/810363944.db2.gz OFUQDVLBCIGIGX-UHFFFAOYSA-N 0 0 286.375 3.282 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N(C)C(C)C)c1 ZINC001186829890 810364262 /nfs/dbraw/zinc/36/42/62/810364262.db2.gz QAYXPIIZZCLQOL-UHFFFAOYSA-N 0 0 286.375 3.280 20 10 CGCDRN CCN(C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(OC)cc1 ZINC001191840434 810749871 /nfs/dbraw/zinc/74/98/71/810749871.db2.gz YXAHLUYMKVAUOX-DLBZAZTESA-N 0 0 275.392 3.479 20 10 CGCDRN Cc1cc(F)ccc1NC(=S)NCc1ccccc1O ZINC001196135826 811320655 /nfs/dbraw/zinc/32/06/55/811320655.db2.gz XGZNMWSVSFSAMT-UHFFFAOYSA-N 0 0 290.363 3.326 20 10 CGCDRN Cc1cccc(NC(=S)NCc2cc(F)ccn2)c1C ZINC001196442283 811343927 /nfs/dbraw/zinc/34/39/27/811343927.db2.gz QVVKPBJBHWUATB-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CCCCCNC(=S)N(CC)Cc1ccccc1O ZINC001200054810 811630538 /nfs/dbraw/zinc/63/05/38/811630538.db2.gz PXNWJNHYGZKTCW-UHFFFAOYSA-N 0 0 280.437 3.279 20 10 CGCDRN Cc1cccc(CNC(=O)Nc2c(F)cccc2F)c1O ZINC001202052645 812005612 /nfs/dbraw/zinc/00/56/12/812005612.db2.gz SMHZKVCDXPFXSI-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN Oc1ccc(-c2nc(-c3cccc(F)c3F)no2)cc1O ZINC001215304280 815505532 /nfs/dbraw/zinc/50/55/32/815505532.db2.gz IPWOJSAYEWEIQO-UHFFFAOYSA-N 0 0 290.225 3.093 20 10 CGCDRN Oc1ccc(CN2Cc3ccccc3C(F)(F)C2)cc1O ZINC001203873954 812476556 /nfs/dbraw/zinc/47/65/56/812476556.db2.gz KCCXWGKXSIFFGV-UHFFFAOYSA-N 0 0 291.297 3.205 20 10 CGCDRN CN(C)c1ccc(CN(C)CC(=O)c2ccccc2)cc1 ZINC001203937911 812497559 /nfs/dbraw/zinc/49/75/59/812497559.db2.gz YXDFUQFHXBMLQZ-UHFFFAOYSA-N 0 0 282.387 3.067 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC001206537690 813342149 /nfs/dbraw/zinc/34/21/49/813342149.db2.gz MEBGWZFJSVQLLG-XHVZSJERSA-N 0 0 251.757 3.324 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(CN2CC3(C2)CCCO3)cc1 ZINC001209516796 814070710 /nfs/dbraw/zinc/07/07/10/814070710.db2.gz OYSUIDUXPDFLRP-UHFFFAOYSA-N 0 0 296.414 3.459 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C[N@H+]2CCOC[C@H]2C)cc1 ZINC001209516677 814071625 /nfs/dbraw/zinc/07/16/25/814071625.db2.gz LPFAYIOYTILVMN-MRXNPFEDSA-N 0 0 284.403 3.315 20 10 CGCDRN c1cn(-c2ccc(Nc3ccc4c(c3)OCCN4)cc2)cn1 ZINC001209726749 814123113 /nfs/dbraw/zinc/12/31/13/814123113.db2.gz ADQWWYZMPOZPBJ-UHFFFAOYSA-N 0 0 292.342 3.420 20 10 CGCDRN COc1cccc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209766737 814134462 /nfs/dbraw/zinc/13/44/62/814134462.db2.gz FAFCXZCSSZCPKK-UHFFFAOYSA-N 0 0 274.295 3.382 20 10 CGCDRN C[C@@H](O)c1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209789815 814141573 /nfs/dbraw/zinc/14/15/73/814141573.db2.gz QWFJCZQWUJPROZ-LLVKDONJSA-N 0 0 270.332 3.288 20 10 CGCDRN Oc1cccc(Nc2ccc3c(c2)OCCCO3)c1O ZINC001210003558 814238121 /nfs/dbraw/zinc/23/81/21/814238121.db2.gz FTVKEADRLGMBMN-UHFFFAOYSA-N 0 0 273.288 3.003 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccnc(Cl)c2Cl)cc1 ZINC001218559729 816247924 /nfs/dbraw/zinc/24/79/24/816247924.db2.gz UTGWSMZPDNBGBG-UHFFFAOYSA-N 0 0 296.157 3.152 20 10 CGCDRN Cc1c(C)c(NC(=O)Cc2ccc(N)cc2)c(C)c(C)c1N ZINC001219214864 816266217 /nfs/dbraw/zinc/26/62/17/816266217.db2.gz AZSOAWWBKFFCIA-UHFFFAOYSA-N 0 0 297.402 3.266 20 10 CGCDRN CSc1cncc(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001242949507 823185274 /nfs/dbraw/zinc/18/52/74/823185274.db2.gz SIYYLTSZGILLLE-UHFFFAOYSA-N 0 0 272.373 3.042 20 10 CGCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC1CC=CC1 ZINC001227937926 817759072 /nfs/dbraw/zinc/75/90/72/817759072.db2.gz PPIKUHPNOJPSLE-UHFFFAOYSA-N 0 0 296.322 3.426 20 10 CGCDRN CCOC(=O)[C@H](Oc1ccc(N(C)C)cc1)c1ccccc1 ZINC001227938867 817759281 /nfs/dbraw/zinc/75/92/81/817759281.db2.gz GQAZBXUFMZTCOC-QGZVFWFLSA-N 0 0 299.370 3.436 20 10 CGCDRN C[C@H](Oc1ccc(N(C)C)cc1)c1cccnc1F ZINC001227939254 817759466 /nfs/dbraw/zinc/75/94/66/817759466.db2.gz QAELGNQHQPVZFE-NSHDSACASA-N 0 0 260.312 3.427 20 10 CGCDRN O=C([O-])c1ccc(C[N@@H+]2CCCc3ccccc3C2)c(O)c1 ZINC001231452192 818101877 /nfs/dbraw/zinc/10/18/77/818101877.db2.gz GEXROSWPXUPIHL-UHFFFAOYSA-N 0 0 297.354 3.039 20 10 CGCDRN Cc1cc(C)c(CN2CCCC(F)(F)C2)c(O)c1 ZINC001231843427 818186570 /nfs/dbraw/zinc/18/65/70/818186570.db2.gz YVTFNKAJILXBLS-UHFFFAOYSA-N 0 0 255.308 3.240 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001231912236 818209910 /nfs/dbraw/zinc/20/99/10/818209910.db2.gz AITWATGFUVPOBF-GFCCVEGCSA-N 0 0 299.773 3.139 20 10 CGCDRN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001231911431 818210554 /nfs/dbraw/zinc/21/05/54/818210554.db2.gz FFNASYADTFRSTO-ZDUSSCGKSA-N 0 0 283.799 3.435 20 10 CGCDRN COc1cc(O)c(C[NH+]2CCC(C)(F)CC2)cc1Cl ZINC001232265860 818298176 /nfs/dbraw/zinc/29/81/76/818298176.db2.gz GJPNZLMLBIYURG-UHFFFAOYSA-N 0 0 287.762 3.378 20 10 CGCDRN Oc1cccc2c1CN(Cc1nc3ccccc3o1)CC2 ZINC001232558970 818385961 /nfs/dbraw/zinc/38/59/61/818385961.db2.gz FKOOOWYKMAZRBB-UHFFFAOYSA-N 0 0 280.327 3.092 20 10 CGCDRN Cc1cc(O)cc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001232885656 818464994 /nfs/dbraw/zinc/46/49/94/818464994.db2.gz MEFFNOQCZIRBFR-UHFFFAOYSA-N 0 0 257.333 3.038 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001233074829 818516616 /nfs/dbraw/zinc/51/66/16/818516616.db2.gz XRXXXUUNNLEADO-JTQLQIEISA-N 0 0 295.251 3.240 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3.447 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC001312086024 933335365 /nfs/dbraw/zinc/33/53/65/933335365.db2.gz GVKKUUMMOFNDPB-GHMZBOCLSA-N 0 0 282.359 3.155 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC001312086025 933336151 /nfs/dbraw/zinc/33/61/51/933336151.db2.gz GVKKUUMMOFNDPB-MNOVXSKESA-N 0 0 282.359 3.155 20 10 CGCDRN CC(C)(CNC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC001313349547 933445996 /nfs/dbraw/zinc/44/59/96/933445996.db2.gz KYKVYHOXRBFHDJ-UHFFFAOYSA-N 0 0 296.798 3.281 20 10 CGCDRN CCC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCC1 ZINC001466699269 937711320 /nfs/dbraw/zinc/71/13/20/937711320.db2.gz SDGCOMBHVPKCDD-UHFFFAOYSA-N 0 0 291.391 3.117 20 10 CGCDRN C[C@H](NC(=O)c1cnoc1C1CC1)c1ccc(N(C)C)cc1 ZINC001320701172 934091582 /nfs/dbraw/zinc/09/15/82/934091582.db2.gz UKTLPOJDODHCJZ-NSHDSACASA-N 0 0 299.374 3.109 20 10 CGCDRN CC(C)=CCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001324494470 934514870 /nfs/dbraw/zinc/51/48/70/934514870.db2.gz HZJXTRQSDZHMGT-SNVBAGLBSA-N 0 0 281.327 3.102 20 10 CGCDRN COC(=O)c1cc(OCC2=CCCC2)ccc1N(C)C ZINC001473077350 937791696 /nfs/dbraw/zinc/79/16/96/937791696.db2.gz QFMJESKZPSDGSU-UHFFFAOYSA-N 0 0 275.348 3.028 20 10 CGCDRN CCOCCOCCN(c1ccc(OC)c(F)c1)C(C)C ZINC001473274333 937799938 /nfs/dbraw/zinc/79/99/38/937799938.db2.gz VNGNAUPKFKNARF-UHFFFAOYSA-N 0 0 299.386 3.102 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCc2ccc(Cl)cc2C1 ZINC001328308387 935129038 /nfs/dbraw/zinc/12/90/38/935129038.db2.gz IDSHANYIACXPIK-UHFFFAOYSA-N 0 0 293.775 3.306 20 10 CGCDRN Cc1noc(CCCNc2ccccc2NC(C)C)n1 ZINC001329632754 935235726 /nfs/dbraw/zinc/23/57/26/935235726.db2.gz OGYFSSYIWHMLME-UHFFFAOYSA-N 0 0 274.368 3.243 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C(C)(F)F)CC2)c1 ZINC001334326868 936097170 /nfs/dbraw/zinc/09/71/70/936097170.db2.gz XLRBVDHAGHEORA-SECBINFHSA-N 0 0 299.317 3.013 20 10 CGCDRN CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001335730562 936157115 /nfs/dbraw/zinc/15/71/15/936157115.db2.gz MRHQMIUWIYBQAS-XJKSGUPXSA-N 0 0 289.423 3.379 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cnn(CCF)c2)cc1 ZINC001335940845 936168183 /nfs/dbraw/zinc/16/81/83/936168183.db2.gz CPJZOSKJZALVKX-UHFFFAOYSA-N 0 0 291.370 3.276 20 10 CGCDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccc(C)cc2O)nc1 ZINC001337798789 936290397 /nfs/dbraw/zinc/29/03/97/936290397.db2.gz GWUIXRRWBFQUBD-NSHDSACASA-N 0 0 285.347 3.227 20 10 CGCDRN COc1ccc(N(CC(C)=O)Cc2ccccc2)cc1OC ZINC001473903764 937828821 /nfs/dbraw/zinc/82/88/21/937828821.db2.gz BCCMHQWDKPDXJL-UHFFFAOYSA-N 0 0 299.370 3.299 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccoc1 ZINC001474211310 937844327 /nfs/dbraw/zinc/84/43/27/937844327.db2.gz OWULAZGSSHZTPZ-UHFFFAOYSA-N 0 0 269.703 3.110 20 10 CGCDRN CC[N@H+](Cc1ccc(Cl)cc1O)[C@@H]1CCCOC1 ZINC001474614637 937870534 /nfs/dbraw/zinc/87/05/34/937870534.db2.gz YBBYOLNTKBNHJJ-CYBMUJFWSA-N 0 0 269.772 3.047 20 10 CGCDRN COCC(C)(C)CC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474697322 937875754 /nfs/dbraw/zinc/87/57/54/937875754.db2.gz RQWHMWXKZIRPII-UHFFFAOYSA-N 0 0 271.788 3.198 20 10 CGCDRN CC1(C)CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])O1 ZINC001474739513 937877949 /nfs/dbraw/zinc/87/79/49/937877949.db2.gz XJKMNHDESUDMCW-LBPRGKRZSA-N 0 0 283.799 3.483 20 10 CGCDRN C[C@H](NC(=O)Nc1cc(Cl)ccn1)c1ccccc1O ZINC001476579278 937888930 /nfs/dbraw/zinc/88/89/30/937888930.db2.gz MTCDLSBYJHOGEE-VIFPVBQESA-N 0 0 291.738 3.323 20 10 CGCDRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1c(O)cccc1F ZINC001478811578 937911478 /nfs/dbraw/zinc/91/14/78/937911478.db2.gz UQRZJCYBTNGEFO-HBYGRHMLSA-N 0 0 294.370 3.155 20 10 CGCDRN C[C@H](NC(=O)c1nc(C2CC2)cs1)c1ccccc1O ZINC001520450136 938025775 /nfs/dbraw/zinc/02/57/75/938025775.db2.gz DUSZYHQHSVQGEI-VIFPVBQESA-N 0 0 288.372 3.217 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccccc1C ZINC001529706637 938074426 /nfs/dbraw/zinc/07/44/26/938074426.db2.gz JRVFVPREKLJWMS-CMDGGOBGSA-N 0 0 266.344 3.375 20 10 CGCDRN C/C(=C/C(=O)N(C)c1ccc2cc[nH]c2c1)c1cnccn1 ZINC001531736825 938082906 /nfs/dbraw/zinc/08/29/06/938082906.db2.gz WXJAALOKJNCSMD-XFXZXTDPSA-N 0 0 292.342 3.024 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2cc(C)ccc21 ZINC001539177801 938123453 /nfs/dbraw/zinc/12/34/53/938123453.db2.gz JMMQXYRTPWEKLB-KAMYIIQDSA-N 0 0 278.355 3.383 20 10 CGCDRN CC[C@@H](C)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001544043693 938143025 /nfs/dbraw/zinc/14/30/25/938143025.db2.gz DPNUYAMWLWITOA-BDAKNGLRSA-N 0 0 293.388 3.477 20 10 CGCDRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c(O)c1O ZINC001556417775 938203770 /nfs/dbraw/zinc/20/37/70/938203770.db2.gz CYLDRUHOZKQJQH-WXHSDQCUSA-N 0 0 291.391 3.208 20 10 CGCDRN O=C(/C=C\CCc1ccccc1)NCc1c(O)cccc1F ZINC001558454745 938215577 /nfs/dbraw/zinc/21/55/77/938215577.db2.gz LNWRQZKJQRUJJD-XGICHPGQSA-N 0 0 299.345 3.337 20 10 CGCDRN O=C(C[C@H]1CCCCO1)NCc1c(O)ccc2ccccc21 ZINC001558554376 938216256 /nfs/dbraw/zinc/21/62/56/938216256.db2.gz PYATYRKRFOIJHY-CQSZACIVSA-N 0 0 299.370 3.121 20 10 CGCDRN CCc1nccc(NCc2cc(Cl)ccc2O)n1 ZINC001559231500 938223095 /nfs/dbraw/zinc/22/30/95/938223095.db2.gz VZSSNCHXUJXECI-UHFFFAOYSA-N 0 0 263.728 3.010 20 10 CGCDRN CN(Cc1cccs1)c1ccc(CNc2c[nH]nn2)cc1 ZINC001560612957 938265492 /nfs/dbraw/zinc/26/54/92/938265492.db2.gz FYYWWUNWTHZDNP-UHFFFAOYSA-N 0 0 299.403 3.115 20 10 CGCDRN COCCCC1(CN(C)c2ccc3c(c2)OCO3)CCC1 ZINC001560746314 938273922 /nfs/dbraw/zinc/27/39/22/938273922.db2.gz TYAPDOBMOBLDDJ-UHFFFAOYSA-N 0 0 291.391 3.448 20 10 CGCDRN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001563432154 938302417 /nfs/dbraw/zinc/30/24/17/938302417.db2.gz KHFXNVMVSSTGIP-LLVKDONJSA-N 0 0 288.322 3.092 20 10 CGCDRN CCc1cccc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1O ZINC001593642211 953655627 /nfs/dbraw/zinc/65/56/27/953655627.db2.gz KBDKVDGJNSYXDI-UHFFFAOYSA-N 0 0 291.391 3.031 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc2c(c1)CCC2 ZINC001567154387 961124538 /nfs/dbraw/zinc/12/45/38/961124538.db2.gz HFXQDALUZZMYKF-SNVBAGLBSA-N 0 0 287.384 3.433 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1cc2ccccc2s1 ZINC001570462240 961970953 /nfs/dbraw/zinc/97/09/53/961970953.db2.gz KXTBPGKNTDEIPW-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN CC(C)c1ccc(O)c(C[NH+]2CCC(C)(C(=O)[O-])CC2)c1 ZINC001573566673 962263736 /nfs/dbraw/zinc/26/37/36/962263736.db2.gz MYXMWIQJHAIIKJ-UHFFFAOYSA-N 0 0 291.391 3.202 20 10 CGCDRN CSc1cc(C)c(C(=O)Oc2ccc(N)cc2)o1 ZINC001579386631 962622577 /nfs/dbraw/zinc/62/25/77/962622577.db2.gz IDJNCZUYFAKFHD-UHFFFAOYSA-N 0 0 263.318 3.111 20 10 CGCDRN Nc1ccc(CNC(=O)Nc2ccc3scnc3c2)cc1 ZINC001580445507 962726464 /nfs/dbraw/zinc/72/64/64/962726464.db2.gz HEAQIXSDOFPPRA-UHFFFAOYSA-N 0 0 298.371 3.200 20 10 CGCDRN Cc1c2ccccc2n(C)c1C[NH2+]CCCCCC(=O)[O-] ZINC001605081593 972716946 /nfs/dbraw/zinc/71/69/46/972716946.db2.gz AYJLYLKWHUVKPN-UHFFFAOYSA-N 0 0 288.391 3.221 20 10 CGCDRN CC[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])C(C)C ZINC001596350624 983804182 /nfs/dbraw/zinc/80/41/82/983804182.db2.gz IRGKMKPPLLLYJI-UHFFFAOYSA-N 0 0 292.354 3.246 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593224847 994343675 /nfs/dbraw/zinc/34/36/75/994343675.db2.gz RTZMHYUMHFRPJK-YGRLFVJLSA-N 0 0 277.364 3.320 20 10 CGCDRN C[C@H]([NH2+]Cc1ccsc1)c1cc(C(=O)[O-])ccc1O ZINC001593310349 994772984 /nfs/dbraw/zinc/77/29/84/994772984.db2.gz HQGHURLDKZWRFX-VIFPVBQESA-N 0 0 277.345 3.003 20 10 CGCDRN CN(C)c1ccc(CNc2ccncc2Cl)cc1 ZINC000301561180 529782477 /nfs/dbraw/zinc/78/24/77/529782477.db2.gz IITOZZJIVYSEOS-UHFFFAOYSA-N 0 0 261.756 3.413 20 10 CGCDRN Cc1noc(C(C)C)c1C(=O)N(C)Cc1ccccc1O ZINC000053915487 345126277 /nfs/dbraw/zinc/12/62/77/345126277.db2.gz GOZZYBBBJMGDJB-UHFFFAOYSA-N 0 0 288.347 3.084 20 10 CGCDRN COC[C@@H](NCc1ccc(OC)c(C)c1)c1ccc(C)o1 ZINC000080237532 345669352 /nfs/dbraw/zinc/66/93/52/345669352.db2.gz CTBDHOMRIHKDKC-OAHLLOKOSA-N 0 0 289.375 3.382 20 10 CGCDRN C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)c(F)c1[O-] ZINC000277156634 299267632 /nfs/dbraw/zinc/26/76/32/299267632.db2.gz QRNJUUANTSJRMD-LURJTMIESA-N 0 0 263.234 3.119 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187740926 283518633 /nfs/dbraw/zinc/51/86/33/283518633.db2.gz MSDNSQXSCMVTTP-QWRGUYRKSA-N 0 0 287.350 3.120 20 10 CGCDRN Cc1ccc(C)c(N(C)C(=O)/C=C/c2cncs2)c1 ZINC000493256842 244128187 /nfs/dbraw/zinc/12/81/87/244128187.db2.gz LKEZDBAGHBSPTP-VOTSOKGWSA-N 0 0 272.373 3.436 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccnc1 ZINC000128053532 370959734 /nfs/dbraw/zinc/95/97/34/370959734.db2.gz FUWUFPHTQMJHEQ-SOFGYWHQSA-N 0 0 287.750 3.196 20 10 CGCDRN Cn1nccc1CSc1ncc(C(C)(C)C)s1 ZINC000091588207 370075073 /nfs/dbraw/zinc/07/50/73/370075073.db2.gz JOLFBOCTBDMVIN-UHFFFAOYSA-N 0 0 267.423 3.466 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000287151643 371611929 /nfs/dbraw/zinc/61/19/29/371611929.db2.gz STRYFLJOQUWAKO-GHMZBOCLSA-N 0 0 269.385 3.325 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(F)cc1[O-] ZINC000287539972 371671928 /nfs/dbraw/zinc/67/19/28/371671928.db2.gz PGARZQIIXWSGDD-DZGCQCFKSA-N 0 0 281.371 3.123 20 10 CGCDRN CCC1([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000294907261 372677898 /nfs/dbraw/zinc/67/78/98/372677898.db2.gz XTUASTIIPYDNQF-UHFFFAOYSA-N 0 0 270.170 3.187 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000295822799 372923139 /nfs/dbraw/zinc/92/31/39/372923139.db2.gz BZHKHLBXMJQMNE-NXEZZACHSA-N 0 0 295.333 3.299 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000295842089 372931730 /nfs/dbraw/zinc/93/17/30/372931730.db2.gz AOKKOHBDXNFYNN-MRVPVSSYSA-N 0 0 298.358 3.329 20 10 CGCDRN Cc1cccnc1CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000296648778 373207069 /nfs/dbraw/zinc/20/70/69/373207069.db2.gz YQXYNPRRLXUTCI-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN COc1cccc(CNC(=O)C2CCCCCCC2)c1O ZINC000175929904 373539540 /nfs/dbraw/zinc/53/95/40/373539540.db2.gz ZIDFPPWAOGTHPC-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000302342067 373856123 /nfs/dbraw/zinc/85/61/23/373856123.db2.gz BYITYCDFKURWDB-NSHDSACASA-N 0 0 286.335 3.229 20 10 CGCDRN CO[C@H](C)CSc1ncc(-c2ccccc2)n1C ZINC000180754580 374042301 /nfs/dbraw/zinc/04/23/01/374042301.db2.gz UOEJAIOKILHRNY-LLVKDONJSA-N 0 0 262.378 3.214 20 10 CGCDRN COc1cccc(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)c1O ZINC000183611445 374432895 /nfs/dbraw/zinc/43/28/95/374432895.db2.gz IWPNLMLOLQPUQU-VXGBXAGGSA-N 0 0 291.391 3.089 20 10 CGCDRN CCCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472227846 375010982 /nfs/dbraw/zinc/01/09/82/375010982.db2.gz BYLQIUXMSZKLIB-UHFFFAOYSA-N 0 0 273.380 3.038 20 10 CGCDRN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699517 375075651 /nfs/dbraw/zinc/07/56/51/375075651.db2.gz NXUGYOUMSTWUKF-DTWKUNHWSA-N 0 0 295.333 3.124 20 10 CGCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187789208 375095130 /nfs/dbraw/zinc/09/51/30/375095130.db2.gz GAGLZJKOEOOGHF-NXEZZACHSA-N 0 0 287.350 3.118 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCc3cc(F)ccc32)s1 ZINC000492813915 375453614 /nfs/dbraw/zinc/45/36/14/375453614.db2.gz RCCSDKOFPFRUTE-HWKANZROSA-N 0 0 288.347 3.193 20 10 CGCDRN CC[C@@]1(C)C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000191148992 375585798 /nfs/dbraw/zinc/58/57/98/375585798.db2.gz GTMCQXJRZGGXKD-AWEZNQCLSA-N 0 0 269.772 3.047 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])s1 ZINC000192499248 375757622 /nfs/dbraw/zinc/75/76/22/375757622.db2.gz FWBSHIMAYYKWML-UHFFFAOYSA-N 0 0 293.348 3.174 20 10 CGCDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1O ZINC000193073055 375822566 /nfs/dbraw/zinc/82/25/66/375822566.db2.gz VNAUELVKRZUSAI-OCCSQVGLSA-N 0 0 297.354 3.116 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CC=CC1 ZINC000529643309 375931902 /nfs/dbraw/zinc/93/19/02/375931902.db2.gz ZDKGDPZSUHFXRY-UHFFFAOYSA-N 0 0 255.720 3.241 20 10 CGCDRN Cc1nc(CC[NH2+]Cc2cccc(Cl)c2[O-])cs1 ZINC000224541348 376284649 /nfs/dbraw/zinc/28/46/49/376284649.db2.gz XRJIOOGOOGNDKK-UHFFFAOYSA-N 0 0 282.796 3.143 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc(F)c(F)c2)c1 ZINC000255127751 377735183 /nfs/dbraw/zinc/73/51/83/377735183.db2.gz ATWBOCSKDDTOEF-UTCJRWHESA-N 0 0 288.297 3.344 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccc(O)c1 ZINC000264096773 377956412 /nfs/dbraw/zinc/95/64/12/377956412.db2.gz OOVGNAHUKYKTDC-UHFFFAOYSA-N 0 0 299.370 3.079 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C(\C)C1CC1 ZINC000264070594 377955085 /nfs/dbraw/zinc/95/50/85/377955085.db2.gz KPUIIRWTOHGCPY-ACCUITESSA-N 0 0 273.376 3.487 20 10 CGCDRN C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccsc1 ZINC000271824543 378508593 /nfs/dbraw/zinc/50/85/93/378508593.db2.gz NJHCKTKLGFHYPO-CQSZACIVSA-N 0 0 297.807 3.104 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273450638 378746814 /nfs/dbraw/zinc/74/68/14/378746814.db2.gz FWJUPPOMKADAMI-MEBBXXQBSA-N 0 0 293.313 3.055 20 10 CGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC2(C1)CCCCC2 ZINC000276510969 378964327 /nfs/dbraw/zinc/96/43/27/378964327.db2.gz BCWBXYRVIKQRQL-UHFFFAOYSA-N 0 0 293.338 3.033 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[C@@H](C)C1 ZINC000349923293 379450098 /nfs/dbraw/zinc/45/00/98/379450098.db2.gz VZNMIZQJBUBALD-OCCSQVGLSA-N 0 0 299.418 3.475 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccncc1 ZINC000282580284 379948941 /nfs/dbraw/zinc/94/89/41/379948941.db2.gz VYVLDCMJHGFLPF-UHFFFAOYSA-N 0 0 298.386 3.159 20 10 CGCDRN CC[C@@H]([NH2+]CCCSC)c1ccc(F)cc1[O-] ZINC000286202759 380173565 /nfs/dbraw/zinc/17/35/65/380173565.db2.gz RSZRKYQOEXGOPK-GFCCVEGCSA-N 0 0 257.374 3.325 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1[O-] ZINC000286281967 380187523 /nfs/dbraw/zinc/18/75/23/380187523.db2.gz WAONSWMZJWTKSG-KGLIPLIRSA-N 0 0 289.354 3.373 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285537201 380149878 /nfs/dbraw/zinc/14/98/78/380149878.db2.gz BXTNBWAJRZNJMF-GHJWDPDVSA-N 0 0 292.398 3.197 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(F)cc1[O-] ZINC000285769223 380153605 /nfs/dbraw/zinc/15/36/05/380153605.db2.gz SRKXXKYNVXOQPU-MEBBXXQBSA-N 0 0 291.370 3.375 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(F)cc1[O-] ZINC000285978883 380155357 /nfs/dbraw/zinc/15/53/57/380155357.db2.gz HOLSUIYPBRFZAS-IAQYHMDHSA-N 0 0 280.387 3.055 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1C[C@@H]1C ZINC000355297668 380631128 /nfs/dbraw/zinc/63/11/28/380631128.db2.gz NIXNBQJSMYWRMT-WCQYABFASA-N 0 0 270.376 3.149 20 10 CGCDRN Cc1nc(Cl)cc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000301139247 542413048 /nfs/dbraw/zinc/41/30/48/542413048.db2.gz CBFREYRVKRQTGW-UHFFFAOYSA-N 0 0 290.798 3.141 20 10 CGCDRN CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000287392607 392397302 /nfs/dbraw/zinc/39/73/02/392397302.db2.gz ITQPWZUKANETSW-NSHDSACASA-N 0 0 259.271 3.370 20 10 CGCDRN CC[C@@H]([NH2+]CCC[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287164652 392393781 /nfs/dbraw/zinc/39/37/81/392393781.db2.gz UGJMFKVEECNPPB-ZWNOBZJWSA-N 0 0 271.788 3.247 20 10 CGCDRN CN(Cc1cnc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000121299219 392412621 /nfs/dbraw/zinc/41/26/21/392412621.db2.gz FNYKYCCKSNDPDB-UHFFFAOYSA-N 0 0 282.752 3.162 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C(C)(C)C)no2)cc1F ZINC000121759019 392415929 /nfs/dbraw/zinc/41/59/29/392415929.db2.gz DXBCGXVCMWNVTI-UHFFFAOYSA-N 0 0 293.342 3.151 20 10 CGCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126753332 392444133 /nfs/dbraw/zinc/44/41/33/392444133.db2.gz PSIIVRUCCPCIMX-WMLDXEAASA-N 0 0 299.418 3.051 20 10 CGCDRN COC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132672574 392462339 /nfs/dbraw/zinc/46/23/39/392462339.db2.gz NSKSHSJYMPYUKP-MRVPVSSYSA-N 0 0 278.179 3.166 20 10 CGCDRN Cc1cnc(C)c(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000302242738 392615460 /nfs/dbraw/zinc/61/54/60/392615460.db2.gz YQHAEWNCAVPMQM-UHFFFAOYSA-N 0 0 280.375 3.082 20 10 CGCDRN Cc1cnc(NCc2ccc(N3CCCC3)cc2)nc1C ZINC000179174922 392689190 /nfs/dbraw/zinc/68/91/90/392689190.db2.gz JMNOINJCYYMNLQ-UHFFFAOYSA-N 0 0 282.391 3.306 20 10 CGCDRN CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000179482807 392701716 /nfs/dbraw/zinc/70/17/16/392701716.db2.gz WVFAZRJKNNHKBS-PWSUYJOCSA-N 0 0 291.391 3.445 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C1CC1 ZINC000348726772 393128781 /nfs/dbraw/zinc/12/87/81/393128781.db2.gz CBJHVFDXQWZART-LBPRGKRZSA-N 0 0 285.391 3.084 20 10 CGCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273396619 292106426 /nfs/dbraw/zinc/10/64/26/292106426.db2.gz MBWLOMBUBFSDIR-GFCCVEGCSA-N 0 0 286.331 3.460 20 10 CGCDRN Clc1cnc(NCCCSc2nccs2)nc1 ZINC000301494297 227559785 /nfs/dbraw/zinc/55/97/85/227559785.db2.gz RPTXTXYDLCHRON-UHFFFAOYSA-N 0 0 286.813 3.181 20 10 CGCDRN CC(C)=CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298343575 260151497 /nfs/dbraw/zinc/15/14/97/260151497.db2.gz JRWATJDICNXBKJ-UHFFFAOYSA-N 0 0 274.408 3.456 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1O ZINC000154198519 261088495 /nfs/dbraw/zinc/08/84/95/261088495.db2.gz XGUFDIPKZYLHTM-UHFFFAOYSA-N 0 0 298.386 3.121 20 10 CGCDRN COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)c1ccccc1 ZINC000154499344 261092164 /nfs/dbraw/zinc/09/21/64/261092164.db2.gz RJNYGZDAWMHAPG-KRWDZBQOSA-N 0 0 299.370 3.013 20 10 CGCDRN CCN(CC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155702126 261106220 /nfs/dbraw/zinc/10/62/20/261106220.db2.gz UDJXJRMKFJZJPQ-UHFFFAOYSA-N 0 0 299.418 3.004 20 10 CGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000156240221 261117338 /nfs/dbraw/zinc/11/73/38/261117338.db2.gz GTHDMVHGEQUUPG-ZBFHGGJFSA-N 0 0 274.408 3.142 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C(C2CC2)C2CC2)cc1 ZINC000163031617 261303190 /nfs/dbraw/zinc/30/31/90/261303190.db2.gz REGBYVVUKUSUFI-UHFFFAOYSA-N 0 0 286.419 3.147 20 10 CGCDRN COC(=O)[C@@H](F)CSc1ncc(C(C)(C)C)s1 ZINC000164347214 261348947 /nfs/dbraw/zinc/34/89/47/261348947.db2.gz FOAMVPPALIVBMO-ZETCQYMHSA-N 0 0 277.386 3.044 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C(C)C)no2)cc1Cl ZINC000177073001 261684524 /nfs/dbraw/zinc/68/45/24/261684524.db2.gz ORESYXOAWRMBQY-UHFFFAOYSA-N 0 0 295.770 3.491 20 10 CGCDRN C[C@H]1CC(C(=O)N(C)Cc2ccccc2O)C[C@H](C)C1 ZINC000183291632 261970300 /nfs/dbraw/zinc/97/03/00/261970300.db2.gz ZKDUBQDEXZSWPA-CHWSQXEVSA-N 0 0 275.392 3.423 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000184944905 262034905 /nfs/dbraw/zinc/03/49/05/262034905.db2.gz QNDNQUANFSXBBF-PXAZEXFGSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000185327916 262050803 /nfs/dbraw/zinc/05/08/03/262050803.db2.gz ANNFZSGWTDYOSA-BDJLRTHQSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000185500561 262056739 /nfs/dbraw/zinc/05/67/39/262056739.db2.gz RZXGLAQKDVRDPB-JGVFFNPUSA-N 0 0 278.179 3.121 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cc(C)ccn2)c1 ZINC000186242775 262085370 /nfs/dbraw/zinc/08/53/70/262085370.db2.gz VCKYBEHEMRNDEC-NSHDSACASA-N 0 0 258.321 3.277 20 10 CGCDRN C[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(F)cc1O ZINC000186341580 262089406 /nfs/dbraw/zinc/08/94/06/262089406.db2.gz NSBJNCRCRXKXJC-MRVPVSSYSA-N 0 0 285.269 3.166 20 10 CGCDRN C[C@H](Nc1cnn(CC(F)F)c1)c1ccc(F)cc1O ZINC000186341563 262089679 /nfs/dbraw/zinc/08/96/79/262089679.db2.gz NSBJNCRCRXKXJC-QMMMGPOBSA-N 0 0 285.269 3.166 20 10 CGCDRN C/C(=C\C(C)(C)C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186392056 262091205 /nfs/dbraw/zinc/09/12/05/262091205.db2.gz VENLMGNEBBPGDH-HCRIHEDKSA-N 0 0 291.391 3.137 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)c1 ZINC000186143334 262312054 /nfs/dbraw/zinc/31/20/54/262312054.db2.gz NALXOFGKXLBRBX-STQMWFEESA-N 0 0 265.397 3.148 20 10 CGCDRN CCOc1cccc(CNc2cccc3c2OCC3)c1O ZINC000527763294 270134722 /nfs/dbraw/zinc/13/47/22/270134722.db2.gz RTVSAHLUXRFXAO-UHFFFAOYSA-N 0 0 285.343 3.338 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)COC)c1cccc(Cl)c1[O-] ZINC000287277486 288042982 /nfs/dbraw/zinc/04/29/82/288042982.db2.gz BGHAKFNSDSJDCD-MFKMUULPSA-N 0 0 271.788 3.369 20 10 CGCDRN CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000124512951 288328867 /nfs/dbraw/zinc/32/88/67/288328867.db2.gz AVMDMTQNDRZNBI-JQWIXIFHSA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237770607 290334316 /nfs/dbraw/zinc/33/43/16/290334316.db2.gz BGAPYPUKPNKOGM-WFASDCNBSA-N 0 0 274.408 3.142 20 10 CGCDRN CCC[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000185414626 327839639 /nfs/dbraw/zinc/83/96/39/327839639.db2.gz NHIBRZGCPAXZKW-PLWJUESGSA-N 0 0 289.375 3.292 20 10 CGCDRN Oc1cc2c(cc1CNc1cc(C3CC3)ccn1)OCO2 ZINC000289952748 328257107 /nfs/dbraw/zinc/25/71/07/328257107.db2.gz XQADBUDGQLAFNG-UHFFFAOYSA-N 0 0 284.315 3.005 20 10 CGCDRN CCCc1nccn1Cc1ccc(N(C)C)c(C)c1 ZINC000292665838 328273070 /nfs/dbraw/zinc/27/30/70/328273070.db2.gz NSFRBENYFYMPFF-UHFFFAOYSA-N 0 0 257.381 3.258 20 10 CGCDRN O=C(/C=C\c1cccnc1)N1CC2(CC2)c2ccccc21 ZINC000255631225 327001025 /nfs/dbraw/zinc/00/10/25/327001025.db2.gz IOYWEGSQTYZSMY-FPLPWBNLSA-N 0 0 276.339 3.173 20 10 CGCDRN Fc1ccc2c(C3=CCN(c4cccnn4)CC3)c[nH]c2c1 ZINC000557510006 327010822 /nfs/dbraw/zinc/01/08/22/327010822.db2.gz FDRDODXBSOPULW-UHFFFAOYSA-N 0 0 294.333 3.391 20 10 CGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1F ZINC000104376551 328785411 /nfs/dbraw/zinc/78/54/11/328785411.db2.gz SRIWRQXMUASLRB-VOTSOKGWSA-N 0 0 274.270 3.036 20 10 CGCDRN Cc1cc(O)c(CNc2cccc3c2OCC[C@@H]3O)cc1C ZINC000184068421 329255630 /nfs/dbraw/zinc/25/56/30/329255630.db2.gz AYDQRIJRIRDWNB-INIZCTEOSA-N 0 0 299.370 3.437 20 10 CGCDRN Oc1ccccc1-c1nc(CSc2nccs2)no1 ZINC000049418627 329638769 /nfs/dbraw/zinc/63/87/69/329638769.db2.gz DXXMKCXQTKJKBN-UHFFFAOYSA-N 0 0 291.357 3.191 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1[C@H](C)C[C@H]1C ZINC000527457497 330245649 /nfs/dbraw/zinc/24/56/49/330245649.db2.gz QCOYASDURYURKM-VXGBXAGGSA-N 0 0 285.391 3.179 20 10 CGCDRN CC(C)CCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000450051390 330959864 /nfs/dbraw/zinc/95/98/64/330959864.db2.gz WHNJIZMZEPIGPS-UHFFFAOYSA-N 0 0 290.407 3.304 20 10 CGCDRN CN(C(=O)/C=C/c1cnccn1)c1ccc2ccccc2c1 ZINC000491167724 332160496 /nfs/dbraw/zinc/16/04/96/332160496.db2.gz LPTMCBGJWBZNBQ-VQHVLOKHSA-N 0 0 289.338 3.306 20 10 CGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccc2cc[nH]c2c1 ZINC000491965507 332377558 /nfs/dbraw/zinc/37/75/58/332377558.db2.gz SGFIZLLUYCQVNR-GORDUTHDSA-N 0 0 295.317 3.378 20 10 CGCDRN O=C(C=Cc1c[nH]cn1)N1CC2(CCC2)c2c1cccc2F ZINC000492814629 332414490 /nfs/dbraw/zinc/41/44/90/332414490.db2.gz UZMOYRKWBWDBCL-AATRIKPKSA-N 0 0 297.333 3.031 20 10 CGCDRN CC1(C)CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000226611672 333265907 /nfs/dbraw/zinc/26/59/07/333265907.db2.gz PHKXCXQMEDBDOI-ZDUSSCGKSA-N 0 0 261.365 3.225 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(Cl)cn2)s1 ZINC000076345903 334079681 /nfs/dbraw/zinc/07/96/81/334079681.db2.gz AZKOFZSXNOGKIH-GQCTYLIASA-N 0 0 293.779 3.176 20 10 CGCDRN C/C=C/C[C@@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287816033 518529588 /nfs/dbraw/zinc/52/95/88/518529588.db2.gz UYASNJAMPPFZDA-IVDNPREJSA-N 0 0 283.799 3.413 20 10 CGCDRN CC(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000040774189 519223036 /nfs/dbraw/zinc/22/30/36/519223036.db2.gz RZNAUXWTDOEHSX-NSHDSACASA-N 0 0 292.206 3.196 20 10 CGCDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)(C)O ZINC000276739575 519821355 /nfs/dbraw/zinc/82/13/55/519821355.db2.gz GHJQOQIGDLBCPN-XPTSAGLGSA-N 0 0 287.350 3.117 20 10 CGCDRN CC(C)c1scnc1C(=O)N(C)Cc1ccccc1O ZINC000289914415 519915321 /nfs/dbraw/zinc/91/53/21/519915321.db2.gz RWCNAIXPVQOOCI-UHFFFAOYSA-N 0 0 290.388 3.244 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N(C)C(C)C)cc1F ZINC000122224226 520897051 /nfs/dbraw/zinc/89/70/51/520897051.db2.gz NUMMZMYKCZHXOW-UHFFFAOYSA-N 0 0 295.402 3.222 20 10 CGCDRN CCOc1cccc(CN[C@H](C2CC2)C(F)(F)F)c1O ZINC000288543891 521376343 /nfs/dbraw/zinc/37/63/43/521376343.db2.gz WXRBAOFZMRPIID-CYBMUJFWSA-N 0 0 289.297 3.221 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1(CCF)CC1 ZINC000289710321 521687038 /nfs/dbraw/zinc/68/70/38/521687038.db2.gz HQCVKCZLAYXULH-UHFFFAOYSA-N 0 0 279.355 3.271 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCCO1 ZINC000088349523 521687566 /nfs/dbraw/zinc/68/75/66/521687566.db2.gz UMSAIGNYLHVMDJ-HNNXBMFYSA-N 0 0 291.391 3.090 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCO1 ZINC000299583195 521688120 /nfs/dbraw/zinc/68/81/20/521688120.db2.gz CVTGQUPAMBGYCJ-HNNXBMFYSA-N 0 0 291.391 3.090 20 10 CGCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1noc(C)n1 ZINC000289892168 521690516 /nfs/dbraw/zinc/69/05/16/521690516.db2.gz MLSUVKZRBVIPCX-NSHDSACASA-N 0 0 275.352 3.057 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000294183896 521941501 /nfs/dbraw/zinc/94/15/01/521941501.db2.gz KIJXDSJHXZIWFO-GWCFXTLKSA-N 0 0 271.788 3.196 20 10 CGCDRN CCc1nc(C)c(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000291725425 522203656 /nfs/dbraw/zinc/20/36/56/522203656.db2.gz NDYVCAKOSMFOPO-UHFFFAOYSA-N 0 0 291.370 3.040 20 10 CGCDRN CN(C)c1ccc(CNc2cnccn2)c(C(F)(F)F)c1 ZINC000280081341 522216026 /nfs/dbraw/zinc/21/60/26/522216026.db2.gz RDMNLCNLIQSSNJ-UHFFFAOYSA-N 0 0 296.296 3.174 20 10 CGCDRN CNc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000293706333 522654615 /nfs/dbraw/zinc/65/46/15/522654615.db2.gz IVYHPSVZMAZXPM-UHFFFAOYSA-N 0 0 297.402 3.067 20 10 CGCDRN CCc1nnc(CN[C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000290184780 522739823 /nfs/dbraw/zinc/73/98/23/522739823.db2.gz NWRLWNXKXZQBRT-NSHDSACASA-N 0 0 291.420 3.274 20 10 CGCDRN Cc1ccc(CCC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000237682956 524294973 /nfs/dbraw/zinc/29/49/73/524294973.db2.gz XAAXYURWLOBHSP-UHFFFAOYSA-N 0 0 296.414 3.177 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000276979900 524590560 /nfs/dbraw/zinc/59/05/60/524590560.db2.gz VTJQFWRCSJSQNF-JTQLQIEISA-N 0 0 278.302 3.225 20 10 CGCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000043473968 524756911 /nfs/dbraw/zinc/75/69/11/524756911.db2.gz IRWWUUZFZJKOHM-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C=C1CCCCC1 ZINC000274905790 524892259 /nfs/dbraw/zinc/89/22/59/524892259.db2.gz HMDAZYGVLCLHSF-LBPRGKRZSA-N 0 0 289.375 3.036 20 10 CGCDRN Cc1cc(O)c(CNc2cn(C)nc2C(C)C)cc1C ZINC000280322736 525324432 /nfs/dbraw/zinc/32/44/32/525324432.db2.gz PLJOZRNTBQNQAZ-UHFFFAOYSA-N 0 0 273.380 3.478 20 10 CGCDRN C[C@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000062744860 525367529 /nfs/dbraw/zinc/36/75/29/525367529.db2.gz YQINONWQDRFBPC-LBPRGKRZSA-N 0 0 259.324 3.425 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccn1 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618865412 /nfs/dbraw/zinc/86/54/12/618865412.db2.gz AOKMLCNXJHNLNP-NTMALXAHSA-N 0 0 297.354 3.194 20 10 CGCDRN C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180609805 619017403 /nfs/dbraw/zinc/01/74/03/619017403.db2.gz FTVQRKPZXAXIHL-YGNAEDSMSA-N 0 0 297.354 3.331 20 10 CGCDRN Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000185402659 619060939 /nfs/dbraw/zinc/06/09/39/619060939.db2.gz OGUIHFBEYLHINN-VIFPVBQESA-N 0 0 294.395 3.498 20 10 CGCDRN CCn1ccnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000191578655 619111071 /nfs/dbraw/zinc/11/10/71/619111071.db2.gz YITYAFHQTUHPCZ-UHFFFAOYSA-N 0 0 273.380 3.327 20 10 CGCDRN Cc1ccc(C[C@H](C)N(C)C(=O)c2cccc(O)c2O)cc1 ZINC000193081762 619125431 /nfs/dbraw/zinc/12/54/31/619125431.db2.gz AYXLLROTLQRWJP-ZDUSSCGKSA-N 0 0 299.370 3.109 20 10 CGCDRN C[C@H](C(=O)OC(C)(C)C)N(Cc1ccccc1O)C1CC1 ZINC000840956730 619268786 /nfs/dbraw/zinc/26/87/86/619268786.db2.gz CTPDZLQTONNYRA-GFCCVEGCSA-N 0 0 291.391 3.087 20 10 CGCDRN C[C@@H]1c2cccn2CCN1Cc1cc(F)cc(F)c1[O-] ZINC000893879441 619326168 /nfs/dbraw/zinc/32/61/68/619326168.db2.gz GGCGVTFWLIAFFK-SNVBAGLBSA-N 0 0 278.302 3.049 20 10 CGCDRN COc1cc(C)cc(CNc2ccc3c(c2)OCO3)c1O ZINC000894197218 619409890 /nfs/dbraw/zinc/40/98/90/619409890.db2.gz PFDWWBIYXYHGBZ-UHFFFAOYSA-N 0 0 287.315 3.050 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000894779272 619632133 /nfs/dbraw/zinc/63/21/33/619632133.db2.gz FFMFHITUYKXVQS-UHFFFAOYSA-N 0 0 290.313 3.230 20 10 CGCDRN COc1cc(C)cc(CN[C@H](C2CC2)C(F)(F)F)c1O ZINC000894787521 619636375 /nfs/dbraw/zinc/63/63/75/619636375.db2.gz SQBIYFHZNRLVHM-CYBMUJFWSA-N 0 0 289.297 3.140 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000894942104 619684994 /nfs/dbraw/zinc/68/49/94/619684994.db2.gz PHCKTBGKYVWRGQ-OAHLLOKOSA-N 0 0 299.386 3.390 20 10 CGCDRN C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)cc(F)c1[O-])CCOCC2 ZINC000895084846 619721548 /nfs/dbraw/zinc/72/15/48/619721548.db2.gz JPDWTTRHEBKIDU-LLVKDONJSA-N 0 0 297.345 3.061 20 10 CGCDRN Cc1cc(NC(=O)Nc2ccc(N)cc2)nn1[C@@H](C)C1CC1 ZINC000841296269 619821737 /nfs/dbraw/zinc/82/17/37/619821737.db2.gz SLZSLQAKASOITN-NSHDSACASA-N 0 0 299.378 3.389 20 10 CGCDRN COc1cc(Cl)cc(CN(C)Cc2ccns2)c1O ZINC000895454125 619829979 /nfs/dbraw/zinc/82/99/79/619829979.db2.gz USZURERCCDZSBV-UHFFFAOYSA-N 0 0 298.795 3.143 20 10 CGCDRN C[C@@H](N[C@H](C)C(F)F)c1ccc(Br)cc1O ZINC000883399771 619996158 /nfs/dbraw/zinc/99/61/58/619996158.db2.gz UZCGPHYMNYQXTF-RNFRBKRXSA-N 0 0 294.139 3.459 20 10 CGCDRN Cc1cccc(O)c1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000896422094 620006897 /nfs/dbraw/zinc/00/68/97/620006897.db2.gz HOBMKUCEEQWIQA-WMLDXEAASA-N 0 0 287.334 3.262 20 10 CGCDRN C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1c([O-])cccc1F ZINC000896637534 620041752 /nfs/dbraw/zinc/04/17/52/620041752.db2.gz OOFDSUGKFOTUGS-GFCCVEGCSA-N 0 0 289.350 3.348 20 10 CGCDRN Cc1c2ccccc2oc1CNC(=O)c1cccc(O)c1O ZINC000185662756 625405662 /nfs/dbraw/zinc/40/56/62/625405662.db2.gz MIRGALXAUFHBQU-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230152111 620291762 /nfs/dbraw/zinc/29/17/62/620291762.db2.gz LQKCFPLJOLGGNV-ISVAXAHUSA-N 0 0 290.190 3.356 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000237466593 620382000 /nfs/dbraw/zinc/38/20/00/620382000.db2.gz XXXBNWLRNJKVJQ-LLVKDONJSA-N 0 0 278.352 3.359 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000898218275 620488727 /nfs/dbraw/zinc/48/87/27/620488727.db2.gz CJCDLTPJPIZLOD-UHFFFAOYSA-N 0 0 288.778 3.219 20 10 CGCDRN COCc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000898218252 620489055 /nfs/dbraw/zinc/48/90/55/620489055.db2.gz BSCUVYXOIBOFFH-UHFFFAOYSA-N 0 0 281.739 3.075 20 10 CGCDRN CCC[C@H](C)[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000768347436 625535180 /nfs/dbraw/zinc/53/51/80/625535180.db2.gz UYRADCGSZRUXMA-JQWIXIFHSA-N 0 0 267.394 3.495 20 10 CGCDRN CCCN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1F ZINC000906075585 622147966 /nfs/dbraw/zinc/14/79/66/622147966.db2.gz NDAYECXRNZOLTQ-CMDGGOBGSA-N 0 0 287.338 3.016 20 10 CGCDRN CCCC(=CC(=O)NCc1ccc(O)cc1O)CCC ZINC000910949936 622510234 /nfs/dbraw/zinc/51/02/34/622510234.db2.gz QWTVGKYEICDUKQ-UHFFFAOYSA-N 0 0 277.364 3.241 20 10 CGCDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910958825 622510314 /nfs/dbraw/zinc/51/03/14/622510314.db2.gz WOHVIQRYDOYQKV-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN O=C(c1cccc2c1CCN2)N1CCCc2ccccc21 ZINC000911891538 622560847 /nfs/dbraw/zinc/56/08/47/622560847.db2.gz JOIAJEHWROQSPT-UHFFFAOYSA-N 0 0 278.355 3.248 20 10 CGCDRN CCOc1ccc(N(C)C[C@H](O)c2ccccc2F)cc1 ZINC000150732061 622658408 /nfs/dbraw/zinc/65/84/08/622658408.db2.gz PTDAVTLGDJCAKH-KRWDZBQOSA-N 0 0 289.350 3.394 20 10 CGCDRN CC(C)CC(CC(C)C)NC(=O)Cc1ccc(N)cc1 ZINC000156299618 622793537 /nfs/dbraw/zinc/79/35/37/622793537.db2.gz SOURAGGTUOIKKX-UHFFFAOYSA-N 0 0 276.424 3.388 20 10 CGCDRN CC(C)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058769001 622956188 /nfs/dbraw/zinc/95/61/88/622956188.db2.gz RSPVQKGHVNXUGL-UHFFFAOYSA-N 0 0 274.408 3.121 20 10 CGCDRN Cc1cccc(CNc2ccc3c(c2)CCC(=O)N3)c1O ZINC000158063994 622994660 /nfs/dbraw/zinc/99/46/60/622994660.db2.gz GIGNIVVKYLMMJO-UHFFFAOYSA-N 0 0 282.343 3.197 20 10 CGCDRN C[C@H](NCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000229595922 623146493 /nfs/dbraw/zinc/14/64/93/623146493.db2.gz ZGNRGSQFBAZCMD-VIFPVBQESA-N 0 0 278.293 3.304 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCOC2)cc1 ZINC000171697286 623184369 /nfs/dbraw/zinc/18/43/69/623184369.db2.gz SKLRJBGUVAUIBP-MRXNPFEDSA-N 0 0 298.386 3.003 20 10 CGCDRN CCCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000062576725 623247990 /nfs/dbraw/zinc/24/79/90/623247990.db2.gz HYNZINMGRGDWKX-UHFFFAOYSA-N 0 0 299.418 3.346 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncccc2C)cc1 ZINC000244277391 623415120 /nfs/dbraw/zinc/41/51/20/623415120.db2.gz WSAXIFNYKCYKNP-UHFFFAOYSA-N 0 0 271.389 3.185 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2(C)C)c2c1c(F)ccc2O ZINC000834874126 623832757 /nfs/dbraw/zinc/83/27/57/623832757.db2.gz BHRCPRNDDXQXIO-SUZMYJTESA-N 0 0 279.355 3.237 20 10 CGCDRN Cc1cc(C(=O)NCCC(C)C)c(C)n1-c1ccccn1 ZINC000914846061 623866738 /nfs/dbraw/zinc/86/67/38/623866738.db2.gz RUKYBVVUMOHSKF-UHFFFAOYSA-N 0 0 285.391 3.265 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc(C)cc1C ZINC000918156544 624338557 /nfs/dbraw/zinc/33/85/57/624338557.db2.gz QTIVSQPWUKOHPX-SOFGYWHQSA-N 0 0 281.359 3.160 20 10 CGCDRN CCOc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1 ZINC000155161284 624438745 /nfs/dbraw/zinc/43/87/45/624438745.db2.gz UCYQDPFKEQIMHU-IZZDOVSWSA-N 0 0 282.343 3.157 20 10 CGCDRN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nccs1 ZINC000064660434 624639807 /nfs/dbraw/zinc/63/98/07/624639807.db2.gz HCZLSULQOYPNRQ-MNOVXSKESA-N 0 0 284.450 3.415 20 10 CGCDRN C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000175505197 624641877 /nfs/dbraw/zinc/64/18/77/624641877.db2.gz ZFXJHQTUVBZJLV-CHWSQXEVSA-N 0 0 261.365 3.177 20 10 CGCDRN Cc1cc(C)c(CNC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000237812735 624688839 /nfs/dbraw/zinc/68/88/39/624688839.db2.gz CLDQPSPXJDJNPN-UHFFFAOYSA-N 0 0 282.387 3.053 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756355989 625898991 /nfs/dbraw/zinc/89/89/91/625898991.db2.gz YFONVNXGYWQIIW-BMIGLBTASA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCCO2)c1cscn1 ZINC000922240303 625988412 /nfs/dbraw/zinc/98/84/12/625988412.db2.gz FDFPGKNQCRQWPC-NSHDSACASA-N 0 0 274.389 3.319 20 10 CGCDRN CC(C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073955036 626076516 /nfs/dbraw/zinc/07/65/16/626076516.db2.gz KLYFWHRPFHORFG-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@H](C)F ZINC000838620935 626239884 /nfs/dbraw/zinc/23/98/84/626239884.db2.gz CGHSDSWQJZLFPF-ZDUSSCGKSA-N 0 0 296.386 3.452 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C12CCC2 ZINC000839182622 626326335 /nfs/dbraw/zinc/32/63/35/626326335.db2.gz ODXFHBBILPESPN-STQMWFEESA-N 0 0 299.773 3.232 20 10 CGCDRN Cc1ccc2c(c1C)N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000839435501 626349983 /nfs/dbraw/zinc/34/99/83/626349983.db2.gz FWWFDEDPHPNKMU-CLFYSBASSA-N 0 0 295.386 3.030 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2C[C@H]2C2CC2)C2CC2)cc1 ZINC000751228967 626381968 /nfs/dbraw/zinc/38/19/68/626381968.db2.gz WDUXVWCBJQUIJP-ROUUACIJSA-N 0 0 298.430 3.290 20 10 CGCDRN COc1ccc(N(C)CCCCCCCO)c(OC)c1 ZINC000752110910 626419144 /nfs/dbraw/zinc/41/91/44/626419144.db2.gz KIAYODXTECIDKE-UHFFFAOYSA-N 0 0 281.396 3.083 20 10 CGCDRN CCc1cnc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000753569291 626455616 /nfs/dbraw/zinc/45/56/16/626455616.db2.gz HLDCHSMNOGFPFK-UHFFFAOYSA-N 0 0 276.361 3.071 20 10 CGCDRN Cc1nc2ccc(C=C3SC(=S)NC3=O)cc2s1 ZINC000754829404 626589266 /nfs/dbraw/zinc/58/92/66/626589266.db2.gz VBTGIMQSQRKZIT-YHYXMXQVSA-N 0 0 292.410 3.094 20 10 CGCDRN CCC1(CC)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000755866669 626654717 /nfs/dbraw/zinc/65/47/17/626654717.db2.gz MDAOKAXCZACEPG-UHFFFAOYSA-N 0 0 253.367 3.106 20 10 CGCDRN CCC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756341672 626693302 /nfs/dbraw/zinc/69/33/02/626693302.db2.gz RDNZLNZYHGRXLH-UWVGGRQHSA-N 0 0 252.314 3.140 20 10 CGCDRN CCCCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756343476 626694065 /nfs/dbraw/zinc/69/40/65/626694065.db2.gz ORBSTBUYWXNKII-GFCCVEGCSA-N 0 0 279.380 3.410 20 10 CGCDRN Cc1csc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756399754 626701422 /nfs/dbraw/zinc/70/14/22/626701422.db2.gz GOMZBQVDGWHWMI-VIFPVBQESA-N 0 0 298.358 3.329 20 10 CGCDRN C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756401514 626701677 /nfs/dbraw/zinc/70/16/77/626701677.db2.gz POALPYJQHHTZIQ-VXGBXAGGSA-N 0 0 298.377 3.195 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000756467783 626707450 /nfs/dbraw/zinc/70/74/50/626707450.db2.gz YONSOJCQUCVOKF-DYEKYZERSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756531840 626712680 /nfs/dbraw/zinc/71/26/80/626712680.db2.gz BFKXBFPGBMVJJM-BONVTDFDSA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756531995 626712698 /nfs/dbraw/zinc/71/26/98/626712698.db2.gz CKWOUDDDXOJDNE-WCQYABFASA-N 0 0 298.342 3.291 20 10 CGCDRN C[C@H]([NH2+]CC1(O)CCCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756589233 626718435 /nfs/dbraw/zinc/71/84/35/626718435.db2.gz KNIJQYOIANDPSL-NSHDSACASA-N 0 0 299.361 3.406 20 10 CGCDRN CSC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756585959 626718763 /nfs/dbraw/zinc/71/87/63/626718763.db2.gz PDCMIXUUWULPOY-HTQZYQBOSA-N 0 0 261.337 3.073 20 10 CGCDRN CC(C)n1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756595406 626719303 /nfs/dbraw/zinc/71/93/03/626719303.db2.gz SSRISWGLSKUFRP-JTQLQIEISA-N 0 0 295.333 3.299 20 10 CGCDRN CCc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])on1 ZINC000756603387 626720028 /nfs/dbraw/zinc/72/00/28/626720028.db2.gz BLIBXTOWNFIOLT-MRVPVSSYSA-N 0 0 282.290 3.072 20 10 CGCDRN CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000756628782 626722257 /nfs/dbraw/zinc/72/22/57/626722257.db2.gz XMVXXVZTDBLESK-QSGSBWRWSA-N 0 0 281.371 3.386 20 10 CGCDRN Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756735768 626728930 /nfs/dbraw/zinc/72/89/30/626728930.db2.gz HUVRGAXQRAWJNT-MFKMUULPSA-N 0 0 295.379 3.285 20 10 CGCDRN C[C@H]([NH2+]CCC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756742848 626729042 /nfs/dbraw/zinc/72/90/42/626729042.db2.gz QCNKNMFXLBBULH-JTQLQIEISA-N 0 0 264.325 3.141 20 10 CGCDRN CS[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756770371 626730425 /nfs/dbraw/zinc/73/04/25/626730425.db2.gz UTDCGEIHHUAWIY-YUMQZZPRSA-N 0 0 261.337 3.073 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756790372 626732755 /nfs/dbraw/zinc/73/27/55/626732755.db2.gz NBKJVVSIUULLGM-FVCGPZGOSA-N 0 0 299.361 3.381 20 10 CGCDRN C[C@H]([NH2+]C1(C2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756840593 626736781 /nfs/dbraw/zinc/73/67/81/626736781.db2.gz YGNVLEFPXIRPBK-QMMMGPOBSA-N 0 0 253.292 3.264 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000839542613 626761174 /nfs/dbraw/zinc/76/11/74/626761174.db2.gz UEKKVWVPDLRMLN-QAPCUYQASA-N 0 0 299.345 3.236 20 10 CGCDRN COc1cccc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000758142738 626830173 /nfs/dbraw/zinc/83/01/73/626830173.db2.gz PDYMWTSPFPBWIH-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN CC(C)c1ncc(/C=C2\SC(=S)N(C)C2=O)s1 ZINC000758414703 626842648 /nfs/dbraw/zinc/84/26/48/626842648.db2.gz DEOBOSRDGKBRPI-YWEYNIOJSA-N 0 0 284.431 3.098 20 10 CGCDRN Cc1cc(COC(=O)c2cccc(O)c2O)c(C)s1 ZINC000758561917 626849157 /nfs/dbraw/zinc/84/91/57/626849157.db2.gz OWJQGEZQSCKKFY-UHFFFAOYSA-N 0 0 278.329 3.133 20 10 CGCDRN CC(C)C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000759347994 626890405 /nfs/dbraw/zinc/89/04/05/626890405.db2.gz WKARHILVCVUHMT-LLVKDONJSA-N 0 0 267.394 3.352 20 10 CGCDRN CCc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000759589269 626907986 /nfs/dbraw/zinc/90/79/86/626907986.db2.gz QTWMVAJQZCYIFS-CSKARUKUSA-N 0 0 298.338 3.417 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC12CCC2 ZINC000759712753 626917067 /nfs/dbraw/zinc/91/70/67/626917067.db2.gz BZDPYYQIUWZXPQ-INIZCTEOSA-N 0 0 284.403 3.093 20 10 CGCDRN CCCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000760320292 626959342 /nfs/dbraw/zinc/95/93/42/626959342.db2.gz PKFJUIGNIHOIIL-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN Cc1ccc(C(C)(C)[NH2+]Cc2cccc(F)c2[O-])cn1 ZINC000761225487 627026811 /nfs/dbraw/zinc/02/68/11/627026811.db2.gz ILSGCOJUIHLMQZ-UHFFFAOYSA-N 0 0 274.339 3.260 20 10 CGCDRN CC(C)c1cccc(C(=O)N(C)Cc2ccccc2O)n1 ZINC000762466552 627111331 /nfs/dbraw/zinc/11/13/31/627111331.db2.gz BDZRPKNSRFYFHL-UHFFFAOYSA-N 0 0 284.359 3.183 20 10 CGCDRN CCS[C@H]1CC[C@H](N(C)C(=O)C2=CC(=O)CS2)C1 ZINC000762569744 627116063 /nfs/dbraw/zinc/11/60/63/627116063.db2.gz NAXAHCIUHNLJJD-ONGXEEELSA-N 0 0 285.434 3.200 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2ccn(C)c2)cc1 ZINC000763543756 627165698 /nfs/dbraw/zinc/16/56/98/627165698.db2.gz KGHZBMJXDKOZCH-UHFFFAOYSA-N 0 0 258.365 3.449 20 10 CGCDRN O=c1ccnc(C=Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000764437336 627207409 /nfs/dbraw/zinc/20/74/09/627207409.db2.gz YVKPDDUBAIJOLP-TWGQIWQCSA-N 0 0 281.359 3.343 20 10 CGCDRN COc1ccc(O)c(CNc2ncc(Cl)s2)c1 ZINC000765035633 627237838 /nfs/dbraw/zinc/23/78/38/627237838.db2.gz QREYBZDILHPRCD-UHFFFAOYSA-N 0 0 270.741 3.123 20 10 CGCDRN Cc1cccc(CN2C[C@@H](C)Oc3ccccc32)c1O ZINC000765652681 627265217 /nfs/dbraw/zinc/26/52/17/627265217.db2.gz WNRUERCPWFFEGS-CYBMUJFWSA-N 0 0 269.344 3.488 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)on1 ZINC000766269025 627308533 /nfs/dbraw/zinc/30/85/33/627308533.db2.gz IEEOLXSOVBIXHF-UHFFFAOYSA-N 0 0 272.348 3.335 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CCCOC1 ZINC000766270207 627308950 /nfs/dbraw/zinc/30/89/50/627308950.db2.gz RMMOLJOCWBJDJC-CQSZACIVSA-N 0 0 275.392 3.265 20 10 CGCDRN CCN1C(=O)/C(=C/c2cc(C)oc2C)SC1=S ZINC000767877505 627441009 /nfs/dbraw/zinc/44/10/09/627441009.db2.gz FBWBMQITEWHLHI-POHAHGRESA-N 0 0 267.375 3.118 20 10 CGCDRN CC[C@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CCO1 ZINC000768238716 627469880 /nfs/dbraw/zinc/46/98/80/627469880.db2.gz UNEXBOCOVVMRAO-HNNXBMFYSA-N 0 0 294.414 3.283 20 10 CGCDRN Cc1cccc(C)c1CCNC(=O)C1=CC(=O)CS1 ZINC000768289079 627472219 /nfs/dbraw/zinc/47/22/19/627472219.db2.gz RYKKCABSZHFIQF-UHFFFAOYSA-N 0 0 275.373 3.043 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCCOC2)cc1Cl ZINC000768529738 627484558 /nfs/dbraw/zinc/48/45/58/627484558.db2.gz BRZDMKALFDNLKC-LLVKDONJSA-N 0 0 269.772 3.211 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000769189196 627530698 /nfs/dbraw/zinc/53/06/98/627530698.db2.gz QAKOMQQHQPZSIT-GFCCVEGCSA-N 0 0 298.333 3.112 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](CCCO)C1CC1 ZINC000769404209 627549467 /nfs/dbraw/zinc/54/94/67/627549467.db2.gz KMAQOXCTJOXLFW-UHFFFAOYSA-N 0 0 290.190 3.046 20 10 CGCDRN COc1ccc(NCc2cc(C)c(C)cc2O)nc1 ZINC000769407166 627549894 /nfs/dbraw/zinc/54/98/94/627549894.db2.gz ZPQOADUEDLTDJZ-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)C)C2)c(O)c1 ZINC000770307602 627612557 /nfs/dbraw/zinc/61/25/57/627612557.db2.gz TYNNKWYSRCXICO-CYBMUJFWSA-N 0 0 263.381 3.269 20 10 CGCDRN C/C=C(/C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000770587394 627629573 /nfs/dbraw/zinc/62/95/73/627629573.db2.gz UCUBLGYHMOFQKM-BASWHVEKSA-N 0 0 292.342 3.301 20 10 CGCDRN Cc1ccc2ncnc(NCc3ccccc3O)c2c1 ZINC000771176441 627688797 /nfs/dbraw/zinc/68/87/97/627688797.db2.gz CIBJTMSSXCPUDJ-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN CCC(=O)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000771659532 627725162 /nfs/dbraw/zinc/72/51/62/627725162.db2.gz MUMKVIIDQKJWQQ-UHFFFAOYSA-N 0 0 275.329 3.299 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(C)C)cc1 ZINC000771931744 627745942 /nfs/dbraw/zinc/74/59/42/627745942.db2.gz TXWLNVOENYUPPD-IAGOWNOFSA-N 0 0 288.435 3.441 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C\c1cncc(C)c1 ZINC000772067495 627760052 /nfs/dbraw/zinc/76/00/52/627760052.db2.gz IPYNKCUMHUKBNM-HJWRWDBZSA-N 0 0 282.343 3.075 20 10 CGCDRN CCc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000772297939 627782810 /nfs/dbraw/zinc/78/28/10/627782810.db2.gz OYAWFVWSRFDZDB-GFCCVEGCSA-N 0 0 270.380 3.278 20 10 CGCDRN CC[C@H](C)[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000772917881 627832605 /nfs/dbraw/zinc/83/26/05/627832605.db2.gz ZCTRBDXKGFOUQM-CMPLNLGQSA-N 0 0 267.394 3.495 20 10 CGCDRN C[C@H](NC(=O)[C@@H](C)c1ccco1)c1ccc(N(C)C)cc1 ZINC000772999772 627839244 /nfs/dbraw/zinc/83/92/44/627839244.db2.gz LUBMIKYUGNWRCQ-STQMWFEESA-N 0 0 286.375 3.327 20 10 CGCDRN CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773007752 627840808 /nfs/dbraw/zinc/84/08/08/627840808.db2.gz JEBHOXNIMGNYJA-BXUZGUMPSA-N 0 0 280.437 3.071 20 10 CGCDRN C[C@@H](NC(=O)C=C1CCC1)c1ccc(N(C)C)cc1 ZINC000773016040 627842457 /nfs/dbraw/zinc/84/24/57/627842457.db2.gz PZVBUPOGUUAVGD-GFCCVEGCSA-N 0 0 258.365 3.040 20 10 CGCDRN CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018870 627843210 /nfs/dbraw/zinc/84/32/10/627843210.db2.gz IUBTUKHZPJZFOD-MAZHCROVSA-N 0 0 274.408 3.222 20 10 CGCDRN C[C@@H](NC(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773112529 627857856 /nfs/dbraw/zinc/85/78/56/627857856.db2.gz LKZBFZYOZKBCKG-GFCCVEGCSA-N 0 0 275.396 3.055 20 10 CGCDRN CCCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773128952 627860675 /nfs/dbraw/zinc/86/06/75/627860675.db2.gz ITGOHHNIWJZGGG-CYBMUJFWSA-N 0 0 277.412 3.303 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773273714 627870480 /nfs/dbraw/zinc/87/04/80/627870480.db2.gz PCWHWSCGSWEPCS-HEHGZKQESA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773621666 627900528 /nfs/dbraw/zinc/90/05/28/627900528.db2.gz ZYVPGSCYKOELDD-RDBSUJKOSA-N 0 0 289.423 3.254 20 10 CGCDRN CCCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCC1 ZINC000773744472 627909637 /nfs/dbraw/zinc/90/96/37/627909637.db2.gz CJVICZLUFJXIQK-LBPRGKRZSA-N 0 0 291.391 3.115 20 10 CGCDRN CCN(C)c1ccc(CN(CC(F)F)C2CC2)cc1 ZINC000773758765 627912137 /nfs/dbraw/zinc/91/21/37/627912137.db2.gz YKKYJYUDDREFHJ-UHFFFAOYSA-N 0 0 268.351 3.372 20 10 CGCDRN CC[C@@H](C)NC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774258118 627969665 /nfs/dbraw/zinc/96/96/65/627969665.db2.gz SLZCFURPQSJFFK-VXGBXAGGSA-N 0 0 279.453 3.076 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C/C(Cl)=C/Cl ZINC000774751453 628023879 /nfs/dbraw/zinc/02/38/79/628023879.db2.gz MZQSQSMCCBCGHF-NTMALXAHSA-N 0 0 287.190 3.270 20 10 CGCDRN COc1cccc(O)c1CNc1cnn(CC(C)C)c1C ZINC000774823401 628034872 /nfs/dbraw/zinc/03/48/72/628034872.db2.gz KCQSIUHNFNQMSZ-UHFFFAOYSA-N 0 0 289.379 3.174 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)ccc1O ZINC000775493512 628100287 /nfs/dbraw/zinc/10/02/87/628100287.db2.gz UNBOBMMURKASSV-JSGCOSHPSA-N 0 0 282.815 3.181 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCSC1 ZINC000775648702 628119080 /nfs/dbraw/zinc/11/90/80/628119080.db2.gz HTBYACYGZFDCPR-SNVBAGLBSA-N 0 0 275.776 3.122 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000775675068 628123730 /nfs/dbraw/zinc/12/37/30/628123730.db2.gz RGIKQXLSWLDALI-CYBMUJFWSA-N 0 0 291.782 3.079 20 10 CGCDRN COc1cccc(O)c1CN1CCc2cc(F)c(F)cc21 ZINC000775969658 628154337 /nfs/dbraw/zinc/15/43/37/628154337.db2.gz ZPAJNUYIUSWSTM-UHFFFAOYSA-N 0 0 291.297 3.242 20 10 CGCDRN CCOc1ccc(N(CC)CCCn2ccnc2)cc1 ZINC000775983749 628155440 /nfs/dbraw/zinc/15/54/40/628155440.db2.gz GAHWIGNDBAEBCH-UHFFFAOYSA-N 0 0 273.380 3.198 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000776248029 628183969 /nfs/dbraw/zinc/18/39/69/628183969.db2.gz IRIARWZANOVVQD-GFCCVEGCSA-N 0 0 299.773 3.376 20 10 CGCDRN C[C@H](NC(=O)N1CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000776248820 628184423 /nfs/dbraw/zinc/18/44/23/628184423.db2.gz KTMKIAHMEAUYMK-ZDUSSCGKSA-N 0 0 289.423 3.398 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000776446011 628212180 /nfs/dbraw/zinc/21/21/80/628212180.db2.gz CBBFLQQUULKVGP-UKRRQHHQSA-N 0 0 274.408 3.147 20 10 CGCDRN COc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000777200859 628255484 /nfs/dbraw/zinc/25/54/84/628255484.db2.gz RARAPBAYHUNPEL-LBPRGKRZSA-N 0 0 271.364 3.329 20 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3.335 20 10 CGCDRN C[C@@H](NC(=O)C1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000782627741 628656566 /nfs/dbraw/zinc/65/65/66/628656566.db2.gz KGVCNFZSYWRBTP-CYBMUJFWSA-N 0 0 272.392 3.430 20 10 CGCDRN O=C(OC[C@H]1CCC2(CCCC2)O1)C1=CC(=O)CS1 ZINC000783608023 628730935 /nfs/dbraw/zinc/73/09/35/628730935.db2.gz MSYDMXSSLBZPRO-LLVKDONJSA-N 0 0 282.361 3.102 20 10 CGCDRN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000785987197 628905469 /nfs/dbraw/zinc/90/54/69/628905469.db2.gz GCTGUIMZSWSXML-GYSYKLTISA-N 0 0 283.799 3.027 20 10 CGCDRN CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)C(F)(F)F ZINC000786974645 628974855 /nfs/dbraw/zinc/97/48/55/628974855.db2.gz QQRAXHZPBOMOHJ-UFBFGSQYSA-N 0 0 277.286 3.392 20 10 CGCDRN C[C@H](NC(=O)NC1CCC(F)(F)CC1)c1ccccc1O ZINC000875432375 634699235 /nfs/dbraw/zinc/69/92/35/634699235.db2.gz FFQSMESTZNKZNK-JTQLQIEISA-N 0 0 298.333 3.330 20 10 CGCDRN Cc1ccc(O)c(CN2CCOc3cc(F)ccc32)c1 ZINC000789568030 629145538 /nfs/dbraw/zinc/14/55/38/629145538.db2.gz VDSRUEBOGUWMGG-UHFFFAOYSA-N 0 0 273.307 3.239 20 10 CGCDRN COc1ccc(O)c(CNCC(F)(F)c2ccccc2)c1 ZINC000789578892 629146236 /nfs/dbraw/zinc/14/62/36/629146236.db2.gz DDNWHBYNBOSJLN-UHFFFAOYSA-N 0 0 293.313 3.282 20 10 CGCDRN CCOC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC000789588026 629148005 /nfs/dbraw/zinc/14/80/05/629148005.db2.gz CGCWCEAVTAGTSA-ZDUSSCGKSA-N 0 0 289.778 3.335 20 10 CGCDRN C[C@@H](Cc1ccco1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790948697 629242191 /nfs/dbraw/zinc/24/21/91/629242191.db2.gz DWJLCIKHDQAKLN-VIFPVBQESA-N 0 0 283.730 3.499 20 10 CGCDRN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790958656 629242941 /nfs/dbraw/zinc/24/29/41/629242941.db2.gz KAUHOWXVRNHNFA-YMTOWFKASA-N 0 0 289.778 3.071 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC1CCC1 ZINC000790976361 629245308 /nfs/dbraw/zinc/24/53/08/629245308.db2.gz AKFYEKOMLYSSFQ-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/C(C)(C)C)c1 ZINC000118785922 629321182 /nfs/dbraw/zinc/32/11/82/629321182.db2.gz SXDFENDLPMGSAB-FBOQAHMBSA-N 0 0 277.364 3.180 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ccn2)cc1OC ZINC000792210889 629349428 /nfs/dbraw/zinc/34/94/28/629349428.db2.gz XLQRNLWJVQVHOI-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN Cc1nc2cc(C(=O)N(C)Cc3ccccc3O)ccc2o1 ZINC000792227106 629350419 /nfs/dbraw/zinc/35/04/19/629350419.db2.gz XAEOLIGWCYRGTD-UHFFFAOYSA-N 0 0 296.326 3.114 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc(C)ccn2)cc1 ZINC000792229430 629350456 /nfs/dbraw/zinc/35/04/56/629350456.db2.gz GTSWNJSFLPJPFR-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000862552556 629401747 /nfs/dbraw/zinc/40/17/47/629401747.db2.gz BDAAFIQGIOLPGA-BETUJISGSA-N 0 0 286.400 3.248 20 10 CGCDRN Cc1cccc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000793202744 629427355 /nfs/dbraw/zinc/42/73/55/629427355.db2.gz PRZFNOUVQQVEQW-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000862756921 629430078 /nfs/dbraw/zinc/43/00/78/629430078.db2.gz ASPYJTLFRWBOBF-WDNDVIMCSA-N 0 0 275.392 3.389 20 10 CGCDRN Cc1scc(C(=O)NCc2cc(C)ccc2O)c1C ZINC000862757406 629430154 /nfs/dbraw/zinc/43/01/54/629430154.db2.gz SSMQECGXTUPOCJ-UHFFFAOYSA-N 0 0 275.373 3.309 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)c2ccccc2)c1 ZINC000862759960 629431607 /nfs/dbraw/zinc/43/16/07/629431607.db2.gz ODCSIPXLZHUYNL-UHFFFAOYSA-N 0 0 283.371 3.295 20 10 CGCDRN C/C=C\CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000875876982 634742741 /nfs/dbraw/zinc/74/27/41/634742741.db2.gz WDELVJKZQDSQIZ-SREVYHEPSA-N 0 0 289.423 3.249 20 10 CGCDRN COc1ccc(CNC(=O)C[C@@H](C)CC(C)(C)C)c(O)c1 ZINC000794377911 629537465 /nfs/dbraw/zinc/53/74/65/629537465.db2.gz AAUFQEPTQIQJES-GFCCVEGCSA-N 0 0 293.407 3.479 20 10 CGCDRN Fc1cc(COc2ccc(N3CCCC3)cc2)ccn1 ZINC000863458929 629578268 /nfs/dbraw/zinc/57/82/68/629578268.db2.gz IIPHGTKSPRIFFQ-UHFFFAOYSA-N 0 0 272.323 3.400 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1OCCN(C)c1ccc(N)cc1 ZINC000863557988 629605026 /nfs/dbraw/zinc/60/50/26/629605026.db2.gz YWIWSBLLSSQBCW-CJNGLKHVSA-N 0 0 262.397 3.300 20 10 CGCDRN COCc1cccc(CN(C)c2ccc(N)cc2)c1 ZINC000863558575 629607137 /nfs/dbraw/zinc/60/71/37/629607137.db2.gz NSAOEHDHTGNCLQ-UHFFFAOYSA-N 0 0 256.349 3.052 20 10 CGCDRN CCc1[nH]ccc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000795344892 629663657 /nfs/dbraw/zinc/66/36/57/629663657.db2.gz JPURISLTWISSTQ-UHFFFAOYSA-N 0 0 299.418 3.353 20 10 CGCDRN COc1ccc(N(CCC(C)C)Cc2noc(C)n2)cc1 ZINC000796505752 629791901 /nfs/dbraw/zinc/79/19/01/629791901.db2.gz SXJUUQYZUJQJRZ-UHFFFAOYSA-N 0 0 289.379 3.439 20 10 CGCDRN CC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)cc1[O-] ZINC000796675360 629813806 /nfs/dbraw/zinc/81/38/06/629813806.db2.gz NEUUIQZXPBKLQU-OAHLLOKOSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(F)cc1[O-] ZINC000796680020 629814450 /nfs/dbraw/zinc/81/44/50/629814450.db2.gz VGEIUBCPWMVYOO-CQSZACIVSA-N 0 0 290.338 3.176 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](CC)N1CCCC1)c1ccc(F)cc1[O-] ZINC000796695189 629816167 /nfs/dbraw/zinc/81/61/67/629816167.db2.gz MPUAFVZLXAUGEM-GOEBONIOSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000796778395 629832199 /nfs/dbraw/zinc/83/21/99/629832199.db2.gz KYZCTUPOBDFTOU-ZLDLUXBVSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000796785841 629833520 /nfs/dbraw/zinc/83/35/20/629833520.db2.gz ZLEWJDGMAYUFII-SWLSCSKDSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1[O-] ZINC000797057592 629879290 /nfs/dbraw/zinc/87/92/90/629879290.db2.gz OQDLXNAQDKBBET-NSHDSACASA-N 0 0 285.322 3.030 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000797065573 629880693 /nfs/dbraw/zinc/88/06/93/629880693.db2.gz LZVNEQCEAGEVEP-RGNHYFCHSA-N 0 0 273.348 3.073 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC000864633835 629881562 /nfs/dbraw/zinc/88/15/62/629881562.db2.gz MQILIRUSDCCGCX-CRAIPNDOSA-N 0 0 286.419 3.291 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864863991 629935841 /nfs/dbraw/zinc/93/58/41/629935841.db2.gz UQAVGUGVTNETKF-QCSYZSNVSA-N 0 0 298.430 3.195 20 10 CGCDRN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1C1CC1 ZINC000799204705 630158335 /nfs/dbraw/zinc/15/83/35/630158335.db2.gz PSLQBHXNFFPYEB-YRNVUSSQSA-N 0 0 279.361 3.189 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)C(F)F ZINC000799877037 630237826 /nfs/dbraw/zinc/23/78/26/630237826.db2.gz KUPOTLMBLJBRDO-UHFFFAOYSA-N 0 0 282.315 3.013 20 10 CGCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000799923665 630244309 /nfs/dbraw/zinc/24/43/09/630244309.db2.gz UACUNJDVPRLIEG-GFCCVEGCSA-N 0 0 280.387 3.334 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CCCC1 ZINC000839914990 630294320 /nfs/dbraw/zinc/29/43/20/630294320.db2.gz WJKBZYZZDPGTOY-AWEZNQCLSA-N 0 0 288.435 3.298 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC000839919060 630296175 /nfs/dbraw/zinc/29/61/75/630296175.db2.gz PEMNBKXGGLDUCK-GJZGRUSLSA-N 0 0 290.451 3.400 20 10 CGCDRN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c1O ZINC000808709475 630296644 /nfs/dbraw/zinc/29/66/44/630296644.db2.gz WRPFKWACVNNMJW-VHSXEESVSA-N 0 0 279.771 3.489 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(C)C1 ZINC000801251050 630328788 /nfs/dbraw/zinc/32/87/88/630328788.db2.gz JSIQFHSSBRLXTM-UHFFFAOYSA-N 0 0 274.389 3.248 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C1CC=CC1 ZINC000801545403 630342497 /nfs/dbraw/zinc/34/24/97/630342497.db2.gz ODLNTVVLASMYRC-UHFFFAOYSA-N 0 0 273.376 3.487 20 10 CGCDRN C[C@@H](O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000865685265 630359642 /nfs/dbraw/zinc/35/96/42/630359642.db2.gz XEXZLXLARFVSDY-QWHCGFSZSA-N 0 0 285.391 3.374 20 10 CGCDRN CCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000836819003 634807422 /nfs/dbraw/zinc/80/74/22/634807422.db2.gz MGCUEXNIVPFCQC-WWRUEGTHSA-N 0 0 291.391 3.442 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)CC(F)F)c1cccc(Cl)c1[O-] ZINC000806161239 630551782 /nfs/dbraw/zinc/55/17/82/630551782.db2.gz IIFBYYKTCNOSSA-KWQFWETISA-N 0 0 293.741 3.102 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)CC(F)F)c1cccc(Cl)c1[O-] ZINC000806161237 630551882 /nfs/dbraw/zinc/55/18/82/630551882.db2.gz IIFBYYKTCNOSSA-GZMMTYOYSA-N 0 0 293.741 3.102 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc(Cl)c1[O-] ZINC000806161854 630551896 /nfs/dbraw/zinc/55/18/96/630551896.db2.gz VBOHZPJEFWGVIY-XQQFMLRXSA-N 0 0 283.799 3.246 20 10 CGCDRN Oc1ccc(Cl)cc1CNCc1nccc(C(F)F)n1 ZINC000808435732 630644855 /nfs/dbraw/zinc/64/48/55/630644855.db2.gz VIGVIRCKTRJNIR-UHFFFAOYSA-N 0 0 299.708 3.063 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000809787308 630808508 /nfs/dbraw/zinc/80/85/08/630808508.db2.gz YPHNTUXCZUGDBF-NHYWBVRUSA-N 0 0 291.778 3.257 20 10 CGCDRN COc1ccc(OCCOc2ccc(N(C)C)cc2)cc1 ZINC000810001394 630826060 /nfs/dbraw/zinc/82/60/60/630826060.db2.gz FBGCISSMYQNLHZ-UHFFFAOYSA-N 0 0 287.359 3.219 20 10 CGCDRN CC[C@H]([NH2+]CCC1(COC)CC1)c1ccc(F)cc1[O-] ZINC000842891315 635505690 /nfs/dbraw/zinc/50/56/90/635505690.db2.gz SYHWAKWDIQDIML-AWEZNQCLSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]1CCC[C@]1(C)C(=O)NCc1cccc(OC)c1O ZINC000878666474 635597287 /nfs/dbraw/zinc/59/72/87/635597287.db2.gz BUOZQUQYGCHZQE-GUYCJALGSA-N 0 0 291.391 3.233 20 10 CGCDRN CCOc1nccnc1NCc1c(O)ccc2c1CCCC2 ZINC000811808273 631121727 /nfs/dbraw/zinc/12/17/27/631121727.db2.gz BRTWEPPBLBSCPM-UHFFFAOYSA-N 0 0 299.374 3.072 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)CCCC2CC2)cc1 ZINC000812449983 631262411 /nfs/dbraw/zinc/26/24/11/631262411.db2.gz YLIGCMSSBSLIFV-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CC2(C1)CCCC2 ZINC000813332130 631410374 /nfs/dbraw/zinc/41/03/74/631410374.db2.gz PKXRDNZGRKZWOD-UHFFFAOYSA-N 0 0 251.757 3.422 20 10 CGCDRN C[C@@H](Nc1cc(NC2CC2)ncn1)c1ccc(N(C)C)cc1 ZINC000840289904 631424854 /nfs/dbraw/zinc/42/48/54/631424854.db2.gz XLIAKCKUUMWQDC-GFCCVEGCSA-N 0 0 297.406 3.290 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)cc1 ZINC000814818916 631648009 /nfs/dbraw/zinc/64/80/09/631648009.db2.gz OYTUORDDIYIRJK-JLVBRIDZSA-N 0 0 286.419 3.147 20 10 CGCDRN COCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815572962 631797640 /nfs/dbraw/zinc/79/76/40/631797640.db2.gz UCHWEMSIIMZQPV-ZJUUUORDSA-N 0 0 291.313 3.487 20 10 CGCDRN CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816519980 632001945 /nfs/dbraw/zinc/00/19/45/632001945.db2.gz BSJNTYZCTTVOTM-SECBINFHSA-N 0 0 257.736 3.417 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccnc1 ZINC000816531289 632003939 /nfs/dbraw/zinc/00/39/39/632003939.db2.gz MLWRFFJQWSLGTO-VIFPVBQESA-N 0 0 280.730 3.431 20 10 CGCDRN COc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816529265 632004272 /nfs/dbraw/zinc/00/42/72/632004272.db2.gz MCARDLAKDBAKCF-UHFFFAOYSA-N 0 0 295.741 3.483 20 10 CGCDRN C[N@H+](Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816568824 632015152 /nfs/dbraw/zinc/01/51/52/632015152.db2.gz RADVYFCUXZHWHX-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN CO[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1C ZINC000816586394 632018077 /nfs/dbraw/zinc/01/80/77/632018077.db2.gz GSKJYKONPLQZGD-YMTOWFKASA-N 0 0 287.762 3.042 20 10 CGCDRN Cc1noc([C@@H](C)NCc2ccc3ccccc3c2O)n1 ZINC000816590107 632020110 /nfs/dbraw/zinc/02/01/10/632020110.db2.gz RJLSHSORYQRLAE-SNVBAGLBSA-N 0 0 283.331 3.088 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)ccc21 ZINC000817430470 632153992 /nfs/dbraw/zinc/15/39/92/632153992.db2.gz GUNNPVQTHXEJDM-UAGQMJEPSA-N 0 0 298.430 3.121 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000817586012 632191400 /nfs/dbraw/zinc/19/14/00/632191400.db2.gz KVJJWQIRWZEOOZ-RAIGVLPGSA-N 0 0 267.344 3.140 20 10 CGCDRN CS[C@@H](C)C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760505 632222847 /nfs/dbraw/zinc/22/28/47/632222847.db2.gz CPLQGHHEQIAATI-NSHDSACASA-N 0 0 277.389 3.452 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CN)c1ccc(Cl)c(Cl)c1[O-] ZINC000817969372 632262654 /nfs/dbraw/zinc/26/26/54/632262654.db2.gz DDGBMLSRWINZSH-XVKPBYJWSA-N 0 0 277.195 3.087 20 10 CGCDRN C[C@H](N(C)C(=O)c1ccc(N=NC(N)=O)cc1)C1(C)CC1 ZINC000820699883 632666844 /nfs/dbraw/zinc/66/68/44/632666844.db2.gz BRVQWWZCBDHWIV-JTQLQIEISA-N 0 0 288.351 3.110 20 10 CGCDRN C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000822226645 632887230 /nfs/dbraw/zinc/88/72/30/632887230.db2.gz BLAUMBZSCOGMSL-CXAGYDPISA-N 0 0 274.408 3.195 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000822227129 632887722 /nfs/dbraw/zinc/88/77/22/632887722.db2.gz WGXXEDXGCKVCOF-GOEBONIOSA-N 0 0 274.408 3.195 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866481388 633154770 /nfs/dbraw/zinc/15/47/70/633154770.db2.gz QZHOBMQBTYXQDK-CMPLNLGQSA-N 0 0 296.392 3.237 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000866512657 633168627 /nfs/dbraw/zinc/16/86/27/633168627.db2.gz NNARIOKURKFHSW-XTQGRXLLSA-N 0 0 293.382 3.387 20 10 CGCDRN CC1(CCC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000823986835 633179339 /nfs/dbraw/zinc/17/93/39/633179339.db2.gz PBVLDUVFOBQJIU-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccncc1F ZINC000824131616 633202393 /nfs/dbraw/zinc/20/23/93/633202393.db2.gz XFYHHOWFSOWWKN-UHFFFAOYSA-N 0 0 272.323 3.182 20 10 CGCDRN C[C@H](c1ccco1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876572076 634860007 /nfs/dbraw/zinc/86/00/07/634860007.db2.gz IPDLXQAYSBPAEY-SECBINFHSA-N 0 0 267.275 3.456 20 10 CGCDRN C[C@@H](NC(=O)NCCCc1ccccc1)c1ccccc1O ZINC000867953227 633280628 /nfs/dbraw/zinc/28/06/28/633280628.db2.gz QTJHJSCSGBWCFP-CQSZACIVSA-N 0 0 298.386 3.385 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1O ZINC000868143892 633298457 /nfs/dbraw/zinc/29/84/57/633298457.db2.gz ZQFQJZXWSYUGHR-DAXOMENPSA-N 0 0 296.370 3.309 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2nccs2)cc1Cl ZINC000824849341 633300331 /nfs/dbraw/zinc/30/03/31/633300331.db2.gz FSXAPOSVNCQSPX-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN CCn1ccnc1[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000825005948 633317737 /nfs/dbraw/zinc/31/77/37/633317737.db2.gz VSVFDUUZVSMGCZ-HNNXBMFYSA-N 0 0 298.434 3.354 20 10 CGCDRN CC(C)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868433954 633324113 /nfs/dbraw/zinc/32/41/13/633324113.db2.gz YUUUSYVNINXARK-VXGBXAGGSA-N 0 0 264.369 3.187 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000868569079 633337308 /nfs/dbraw/zinc/33/73/08/633337308.db2.gz VSJQNMNBXKNPOP-MNOVXSKESA-N 0 0 298.333 3.188 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000868569081 633337420 /nfs/dbraw/zinc/33/74/20/633337420.db2.gz VSJQNMNBXKNPOP-WDEREUQCSA-N 0 0 298.333 3.188 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1O ZINC000868798332 633364674 /nfs/dbraw/zinc/36/46/74/633364674.db2.gz JCHSKXRJYKLRDS-YIYPIFLZSA-N 0 0 288.391 3.189 20 10 CGCDRN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000826538561 633412538 /nfs/dbraw/zinc/41/25/38/633412538.db2.gz GARVRAZBHTUMCC-GWCFXTLKSA-N 0 0 281.783 3.429 20 10 CGCDRN Oc1ccc(F)cc1CNc1cncc2c1CCCC2 ZINC000826814180 633435332 /nfs/dbraw/zinc/43/53/32/633435332.db2.gz CRRVNJZRSRANHS-UHFFFAOYSA-N 0 0 272.323 3.417 20 10 CGCDRN CCC[C@@H](CC(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000827085402 633456301 /nfs/dbraw/zinc/45/63/01/633456301.db2.gz SLGOSARRRYUGDG-AWEZNQCLSA-N 0 0 293.407 3.219 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000827151943 633465124 /nfs/dbraw/zinc/46/51/24/633465124.db2.gz NQBKPXAVFZSGRR-MRXNPFEDSA-N 0 0 295.810 3.091 20 10 CGCDRN Cc1cccc(CNc2ccc3c(c2)CCOC3)c1O ZINC000827312475 633480538 /nfs/dbraw/zinc/48/05/38/633480538.db2.gz DZHWCWKLUXHQKU-UHFFFAOYSA-N 0 0 269.344 3.385 20 10 CGCDRN COc1ccc(N(C)Cc2csc(Cl)n2)cc1OC ZINC000827492797 633494536 /nfs/dbraw/zinc/49/45/36/633494536.db2.gz ZQVZBFHFQSGHLP-UHFFFAOYSA-N 0 0 298.795 3.450 20 10 CGCDRN CCc1c(Cl)ncnc1NCc1cc(OC)ccc1O ZINC000827630376 633505126 /nfs/dbraw/zinc/50/51/26/633505126.db2.gz TWHQNZDINJKANU-UHFFFAOYSA-N 0 0 293.754 3.019 20 10 CGCDRN Cc1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000122895626 633528206 /nfs/dbraw/zinc/52/82/06/633528206.db2.gz MRKMFJFNJBAYKE-LBPRGKRZSA-N 0 0 275.421 3.368 20 10 CGCDRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827922982 633534943 /nfs/dbraw/zinc/53/49/43/633534943.db2.gz GLFYGCZUXSSPHR-KGLIPLIRSA-N 0 0 299.370 3.345 20 10 CGCDRN C[C@@H](NC(=O)CCOCc1ccccc1)c1ccccc1O ZINC000827930768 633535388 /nfs/dbraw/zinc/53/53/88/633535388.db2.gz QJNSSTSUMBKLLZ-CQSZACIVSA-N 0 0 299.370 3.176 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1O ZINC000827936706 633536417 /nfs/dbraw/zinc/53/64/17/633536417.db2.gz AUVICMGVLAPAIW-GHMZBOCLSA-N 0 0 275.373 3.435 20 10 CGCDRN C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1O ZINC000827941137 633538332 /nfs/dbraw/zinc/53/83/32/633538332.db2.gz NNMFLEJBKGCKJC-OLZOCXBDSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)CC(F)(F)F)c1ccccc1O ZINC000827952226 633539196 /nfs/dbraw/zinc/53/91/96/633539196.db2.gz KHXPNOHBSUEGKW-DTWKUNHWSA-N 0 0 275.270 3.158 20 10 CGCDRN C[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C2)c1ccccc1O ZINC000827952525 633539585 /nfs/dbraw/zinc/53/95/85/633539585.db2.gz WOPLIARTUCRXKM-NWDGAFQWSA-N 0 0 297.354 3.207 20 10 CGCDRN C[C@@H](NC(=O)[C@@]1(C)CCC[C@H]1C)c1ccccc1O ZINC000827952481 633539660 /nfs/dbraw/zinc/53/96/60/633539660.db2.gz USVYQMMIIZLSLO-HSMVNMDESA-N 0 0 261.365 3.396 20 10 CGCDRN COCc1sccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827956772 633540209 /nfs/dbraw/zinc/54/02/09/633540209.db2.gz OVLAKAFXGACGIB-SNVBAGLBSA-N 0 0 291.372 3.091 20 10 CGCDRN CO[C@H]1CCC[C@@H](CC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000827963890 633541312 /nfs/dbraw/zinc/54/13/12/633541312.db2.gz DFPABZOLRPJACO-MJBXVCDLSA-N 0 0 291.391 3.165 20 10 CGCDRN CS[C@@H](C)CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827968915 633542102 /nfs/dbraw/zinc/54/21/02/633542102.db2.gz CWKGAYREWZPAJU-QWRGUYRKSA-N 0 0 267.394 3.101 20 10 CGCDRN CCc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827973764 633543505 /nfs/dbraw/zinc/54/35/05/633543505.db2.gz XUWQFLJJWMYFAO-ZDUSSCGKSA-N 0 0 283.371 3.375 20 10 CGCDRN C[C@H](NC(=O)C1(C)CC(F)(F)C1)c1ccccc1O ZINC000827987005 633544683 /nfs/dbraw/zinc/54/46/83/633544683.db2.gz WLBZJLZMGPVPNZ-VIFPVBQESA-N 0 0 269.291 3.005 20 10 CGCDRN CN(C)c1ccc(CN(CC(F)F)C2CC2)cc1F ZINC000123201915 633611731 /nfs/dbraw/zinc/61/17/31/633611731.db2.gz PDQFDBSNLNDXAW-UHFFFAOYSA-N 0 0 272.314 3.121 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C[C@H]1C)c1ccccc1O ZINC000828539946 633626750 /nfs/dbraw/zinc/62/67/50/633626750.db2.gz WXDOBLHLHGWFTI-WPLOAARJSA-N 0 0 273.376 3.252 20 10 CGCDRN O=C(c1cc2c(s1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000871198966 633722419 /nfs/dbraw/zinc/72/24/19/633722419.db2.gz QDZNOOLDJQUHFJ-UHFFFAOYSA-N 0 0 299.395 3.489 20 10 CGCDRN O=C(c1cc2c(s1)CCC2)N1Cc2cccc(O)c2C1 ZINC000871198807 633722816 /nfs/dbraw/zinc/72/28/16/633722816.db2.gz PENKRQKGQBCFBQ-UHFFFAOYSA-N 0 0 285.368 3.098 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200307 633722871 /nfs/dbraw/zinc/72/28/71/633722871.db2.gz ABHONYMSZYEJIY-CHWSQXEVSA-N 0 0 273.376 3.451 20 10 CGCDRN O=C(C=C1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871200335 633722884 /nfs/dbraw/zinc/72/28/84/633722884.db2.gz ATDOZIGFRMQMAC-UHFFFAOYSA-N 0 0 257.333 3.125 20 10 CGCDRN C[C@H]1CCCC[C@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200310 633723172 /nfs/dbraw/zinc/72/31/72/633723172.db2.gz ABHONYMSZYEJIY-STQMWFEESA-N 0 0 273.376 3.451 20 10 CGCDRN O=C([C@@H]1CCCc2sccc21)N1Cc2cccc(O)c2C1 ZINC000871204337 633724654 /nfs/dbraw/zinc/72/46/54/633724654.db2.gz YJZLSBCELRTAJW-CYBMUJFWSA-N 0 0 299.395 3.416 20 10 CGCDRN CC1=CC[C@](C)(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205856 633725213 /nfs/dbraw/zinc/72/52/13/633725213.db2.gz LRYOBGKCRJZLSD-KRWDZBQOSA-N 0 0 271.360 3.371 20 10 CGCDRN Cc1cc(CC(=O)NCCCF)c(C)n1-c1ccccc1 ZINC000830487724 633867082 /nfs/dbraw/zinc/86/70/82/633867082.db2.gz PGNTUQRTQLKFHT-UHFFFAOYSA-N 0 0 288.366 3.112 20 10 CGCDRN C[C@]1(C2CCCCC2)CCN1C(=O)c1cccc(O)c1O ZINC000831202690 633928360 /nfs/dbraw/zinc/92/83/60/633928360.db2.gz QEPBSKNWXDRCOU-QGZVFWFLSA-N 0 0 289.375 3.283 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCC[C@H](F)C2)c1O ZINC000846120520 636147279 /nfs/dbraw/zinc/14/72/79/636147279.db2.gz RFLFPXUHBDIRTO-LBPRGKRZSA-N 0 0 257.736 3.288 20 10 CGCDRN CCCC[C@](C)(F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000831925528 634014504 /nfs/dbraw/zinc/01/45/04/634014504.db2.gz YLBWMRBSFYSRDQ-ZBEGNZNMSA-N 0 0 297.370 3.063 20 10 CGCDRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000831953198 634017268 /nfs/dbraw/zinc/01/72/68/634017268.db2.gz WITSKEQSOCRKEP-CJNGLKHVSA-N 0 0 274.408 3.239 20 10 CGCDRN Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000872131833 634052483 /nfs/dbraw/zinc/05/24/83/634052483.db2.gz AHPXMJQKHBUEAW-WCBMZHEXSA-N 0 0 293.317 3.181 20 10 CGCDRN CC(C)[C@H]1N(C(=O)C2=CC(=O)CS2)CC12CCC2 ZINC000832484207 634065176 /nfs/dbraw/zinc/06/51/76/634065176.db2.gz QSALAVWTEIIFHO-GFCCVEGCSA-N 0 0 265.378 3.104 20 10 CGCDRN CCCOc1ccc(CN[C@@H](C)c2ccn(C)n2)cc1C ZINC000873130544 634252569 /nfs/dbraw/zinc/25/25/69/634252569.db2.gz HNEKKOAXPBDEAS-AWEZNQCLSA-N 0 0 287.407 3.368 20 10 CGCDRN CCCOc1ccc(CN[C@@H]2CCn3ccnc32)cc1C ZINC000873129572 634253024 /nfs/dbraw/zinc/25/30/24/634253024.db2.gz RUBSTLHHHWBQMH-OAHLLOKOSA-N 0 0 285.391 3.215 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834855804 634258323 /nfs/dbraw/zinc/25/83/23/634258323.db2.gz GSBZSCZPNRIPLN-RBZYPMLTSA-N 0 0 287.350 3.382 20 10 CGCDRN CC[C@@H]([NH2+]CC1=CCOCC1)c1cccc(Cl)c1[O-] ZINC000834861162 634259371 /nfs/dbraw/zinc/25/93/71/634259371.db2.gz WLBFGIHLCKGTQQ-CQSZACIVSA-N 0 0 281.783 3.433 20 10 CGCDRN CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834894586 634272219 /nfs/dbraw/zinc/27/22/19/634272219.db2.gz LLYIEAGRPVGMNN-UWVGGRQHSA-N 0 0 295.333 3.299 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000873184323 634273378 /nfs/dbraw/zinc/27/33/78/634273378.db2.gz LTUHMYRXBOWRRR-GFCCVEGCSA-N 0 0 298.342 3.381 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])nc1 ZINC000835066608 634343987 /nfs/dbraw/zinc/34/39/87/634343987.db2.gz YZKJRYOGFIFGCN-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN Cc1ccc(C(=O)Nc2scnc2C(C)C)c(O)c1O ZINC000836980573 634837781 /nfs/dbraw/zinc/83/77/81/634837781.db2.gz MIFFLMNZHVDECO-UHFFFAOYSA-N 0 0 292.360 3.238 20 10 CGCDRN Nc1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1 ZINC000876503910 634847889 /nfs/dbraw/zinc/84/78/89/634847889.db2.gz HIQDSPYSWHNOTI-UHFFFAOYSA-N 0 0 281.359 3.114 20 10 CGCDRN C[C@@H](CC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000837228704 634874949 /nfs/dbraw/zinc/87/49/49/634874949.db2.gz OOCIXNTXFWGIPX-JYKYSHPRSA-N 0 0 277.364 3.052 20 10 CGCDRN CC(C)c1cccc(OCC(=O)NCc2ccc(N)cc2)c1 ZINC000837303377 634882951 /nfs/dbraw/zinc/88/29/51/634882951.db2.gz KGDLSNWGCYIWKQ-UHFFFAOYSA-N 0 0 298.386 3.087 20 10 CGCDRN C[C@@H](CCc1cccn1C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877042680 634961930 /nfs/dbraw/zinc/96/19/30/634961930.db2.gz ULODYNOROISJMF-NSHDSACASA-N 0 0 294.345 3.120 20 10 CGCDRN COc1ccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877074527 634972753 /nfs/dbraw/zinc/97/27/53/634972753.db2.gz NNKZUOMYMUUMMD-DLBZAZTESA-N 0 0 296.370 3.044 20 10 CGCDRN CN(C(=O)c1csc(C(C)(C)C)n1)c1ccc(N)cc1 ZINC000877077337 634974551 /nfs/dbraw/zinc/97/45/51/634974551.db2.gz DLOMGFCNFGNSRW-UHFFFAOYSA-N 0 0 289.404 3.299 20 10 CGCDRN CC(C)c1nc(C(=O)N(C)c2ccc(N)cc2)cs1 ZINC000877077506 634974774 /nfs/dbraw/zinc/97/47/74/634974774.db2.gz KXIJFJKSSZOBBT-UHFFFAOYSA-N 0 0 275.377 3.125 20 10 CGCDRN CC[C@H](Oc1ccccc1C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077664 634975738 /nfs/dbraw/zinc/97/57/38/634975738.db2.gz QQUPBLFFGKFXLR-INIZCTEOSA-N 0 0 298.386 3.398 20 10 CGCDRN C/C=C\C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000877118679 634989555 /nfs/dbraw/zinc/98/95/55/634989555.db2.gz JPKMOVJXNIFVSM-MPNWYJEXSA-N 0 0 272.392 3.016 20 10 CGCDRN COc1cnc(F)c(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000877181224 635009262 /nfs/dbraw/zinc/00/92/62/635009262.db2.gz JTAZTPRBSZNWOM-UHFFFAOYSA-N 0 0 294.301 3.013 20 10 CGCDRN C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877317617 635024549 /nfs/dbraw/zinc/02/45/49/635024549.db2.gz UXUREYSYWVXIQK-SNVBAGLBSA-N 0 0 278.302 3.258 20 10 CGCDRN C[C@@H](C[N@H+](C)Cc1ccc(F)c(F)c1[O-])c1nccs1 ZINC000877316335 635024944 /nfs/dbraw/zinc/02/49/44/635024944.db2.gz VKGUWJFUKGCKEW-VIFPVBQESA-N 0 0 298.358 3.362 20 10 CGCDRN Cc1cccc2c1N[C@@H](c1ccc(N(C)C)cc1C)NC2=O ZINC000840786588 635052520 /nfs/dbraw/zinc/05/25/20/635052520.db2.gz AJHDSRSPNHYUPH-QGZVFWFLSA-N 0 0 295.386 3.224 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000840860557 635067542 /nfs/dbraw/zinc/06/75/42/635067542.db2.gz UPNKUWCPHDGWIA-XWIASGKRSA-N 0 0 269.385 3.466 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)OCCO2 ZINC000840929415 635083956 /nfs/dbraw/zinc/08/39/56/635083956.db2.gz KZCXCHSQJDEQGN-UHFFFAOYSA-N 0 0 298.386 3.444 20 10 CGCDRN Cc1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)c(O)c1 ZINC000877560263 635091350 /nfs/dbraw/zinc/09/13/50/635091350.db2.gz LRMIPLLKKFQUGE-OAHLLOKOSA-N 0 0 285.391 3.017 20 10 CGCDRN COC1([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000840969316 635095679 /nfs/dbraw/zinc/09/56/79/635095679.db2.gz DWRIUODAEOBIRD-SNVBAGLBSA-N 0 0 269.772 3.093 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000877590526 635104892 /nfs/dbraw/zinc/10/48/92/635104892.db2.gz ADJSMAIFRAKYTH-INIZCTEOSA-N 0 0 296.370 3.264 20 10 CGCDRN COc1cc(NCc2ccc(N(C)C)cc2C)ccc1N ZINC000841041066 635111984 /nfs/dbraw/zinc/11/19/84/635111984.db2.gz BQTNEJHLSPXFEI-UHFFFAOYSA-N 0 0 285.391 3.264 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)ccc(F)c1F ZINC000877613693 635112884 /nfs/dbraw/zinc/11/28/84/635112884.db2.gz AFHULISPQZLYNT-ZDUSSCGKSA-N 0 0 289.272 3.292 20 10 CGCDRN C[C@H]1C[NH+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)C1(F)F ZINC000877650833 635131843 /nfs/dbraw/zinc/13/18/43/635131843.db2.gz UVWVTSQJOILVIV-IUCAKERBSA-N 0 0 291.288 3.394 20 10 CGCDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841296475 635148512 /nfs/dbraw/zinc/14/85/12/635148512.db2.gz SZKCEWKXGJTLFL-MLGOLLRUSA-N 0 0 296.374 3.279 20 10 CGCDRN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(N)cc1 ZINC000841295818 635148641 /nfs/dbraw/zinc/14/86/41/635148641.db2.gz GTGCANHROPJOGA-HNNXBMFYSA-N 0 0 291.395 3.082 20 10 CGCDRN CCC(CC)N(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000841298710 635149710 /nfs/dbraw/zinc/14/97/10/635149710.db2.gz CRVCTLJQOPRHJX-UHFFFAOYSA-N 0 0 261.369 3.454 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000877700314 635151323 /nfs/dbraw/zinc/15/13/23/635151323.db2.gz MMZJBNYXMSPQRN-MGCOHNPYSA-N 0 0 257.786 3.029 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841720278 635217219 /nfs/dbraw/zinc/21/72/19/635217219.db2.gz JJNVANJHTDTEOQ-CQSZACIVSA-N 0 0 297.402 3.180 20 10 CGCDRN CO[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CC(C)C ZINC000841755016 635228923 /nfs/dbraw/zinc/22/89/23/635228923.db2.gz FNCPLJJIVYHJRD-ZYHUDNBSSA-N 0 0 287.350 3.382 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755788 635229898 /nfs/dbraw/zinc/22/98/98/635229898.db2.gz RXYXUTBAHCUWLE-RYUDHWBXSA-N 0 0 285.815 3.495 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC000841795161 635237128 /nfs/dbraw/zinc/23/71/28/635237128.db2.gz MVKKDCRTASUVOI-QGZVFWFLSA-N 0 0 299.370 3.228 20 10 CGCDRN C[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841886078 635245791 /nfs/dbraw/zinc/24/57/91/635245791.db2.gz XNZIKUIIZNFFQM-XJKSGUPXSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@@H]1CCC[C@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955120 635252666 /nfs/dbraw/zinc/25/26/66/635252666.db2.gz VBFGQEIDBLJKTR-KGLIPLIRSA-N 0 0 289.423 3.031 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000842775881 635468790 /nfs/dbraw/zinc/46/87/90/635468790.db2.gz HADYCTXJQHHFJT-KBVBSXBZSA-N 0 0 296.754 3.232 20 10 CGCDRN CC[C@H](C)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877391 635504319 /nfs/dbraw/zinc/50/43/19/635504319.db2.gz CJLDCLDEVGALTP-UONOGXRCSA-N 0 0 291.391 3.111 20 10 CGCDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)nnn3C)c(O)c1 ZINC000842902202 635510445 /nfs/dbraw/zinc/51/04/45/635510445.db2.gz UKFLWXYYPGZBQL-NSHDSACASA-N 0 0 282.347 3.155 20 10 CGCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000842919853 635512221 /nfs/dbraw/zinc/51/22/21/635512221.db2.gz ZEQQAUOKDZQRAY-WHOFXGATSA-N 0 0 283.387 3.369 20 10 CGCDRN C[C@H](NCc1nc2c(o1)CCCC2)c1ccc(N(C)C)cc1 ZINC000878455184 635513387 /nfs/dbraw/zinc/51/33/87/635513387.db2.gz RMHBPMCAVRTGMD-ZDUSSCGKSA-N 0 0 299.418 3.470 20 10 CGCDRN CC[C@H](N[C@@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000842926305 635513632 /nfs/dbraw/zinc/51/36/32/635513632.db2.gz VONIQYIMNYCONM-GWCFXTLKSA-N 0 0 297.370 3.302 20 10 CGCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC000878565646 635558065 /nfs/dbraw/zinc/55/80/65/635558065.db2.gz NFTFLMNOUUXWSQ-GJZGRUSLSA-N 0 0 277.408 3.419 20 10 CGCDRN CN(C)c1ccc(CN2CCNc3ccccc32)cc1 ZINC000843124472 635560174 /nfs/dbraw/zinc/56/01/74/635560174.db2.gz BPJDNPWBKVMMDL-UHFFFAOYSA-N 0 0 267.376 3.185 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CC=CCC3)n2)cc1 ZINC000843158962 635589099 /nfs/dbraw/zinc/58/90/99/635589099.db2.gz JKYWWYKOCBSVLW-GFCCVEGCSA-N 0 0 255.321 3.066 20 10 CGCDRN COc1ccc(N(Cc2nocc2C)CC2CC2)cc1 ZINC000878674612 635601827 /nfs/dbraw/zinc/60/18/27/635601827.db2.gz COPFMJYFGAVPOB-UHFFFAOYSA-N 0 0 272.348 3.408 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC2(CCC2)O1 ZINC000843434579 635674165 /nfs/dbraw/zinc/67/41/65/635674165.db2.gz BHOBWDKBAMJYQQ-CYBMUJFWSA-N 0 0 292.398 3.035 20 10 CGCDRN CCOc1ccc(N(CCC(OC)OC)CC2CC2)cc1 ZINC000879117302 635706934 /nfs/dbraw/zinc/70/69/34/635706934.db2.gz OOODHKFEGUJROQ-UHFFFAOYSA-N 0 0 293.407 3.311 20 10 CGCDRN CCOc1ccc(N(Cc2cncn2C)CC2CC2)cc1 ZINC000879116874 635707234 /nfs/dbraw/zinc/70/72/34/635707234.db2.gz CFOCQVUEKPMGLO-UHFFFAOYSA-N 0 0 285.391 3.235 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cc3n(n2)CCC3)cc1 ZINC000844306827 635865154 /nfs/dbraw/zinc/86/51/54/635865154.db2.gz YFDIBMXIGRDXTJ-UHFFFAOYSA-N 0 0 285.391 3.255 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000074261768 635870511 /nfs/dbraw/zinc/87/05/11/635870511.db2.gz PGOYMQPBCITSRO-NEPJUHHUSA-N 0 0 294.395 3.025 20 10 CGCDRN COc1ccc(N(C)CCOCC(F)(F)C(F)F)cc1 ZINC000844352727 635877357 /nfs/dbraw/zinc/87/73/57/635877357.db2.gz FCGANCYVTRPPSH-UHFFFAOYSA-N 0 0 295.276 3.048 20 10 CGCDRN CCN(C)c1ccc(CNC2(c3ncccn3)CCC2)cc1 ZINC000880366536 635982199 /nfs/dbraw/zinc/98/21/99/635982199.db2.gz NZLZDQVJBRDRHS-UHFFFAOYSA-N 0 0 296.418 3.102 20 10 CGCDRN O=C(NCCCC1CC1)NCc1cc(Cl)ccc1O ZINC000844998117 635996028 /nfs/dbraw/zinc/99/60/28/635996028.db2.gz BYHGRXRYHOOPLK-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NCC1(C2CC2)CC1 ZINC000845070250 636004504 /nfs/dbraw/zinc/00/45/04/636004504.db2.gz MWZDBQNLFRFRON-UHFFFAOYSA-N 0 0 294.782 3.035 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ncsc1C1CC1 ZINC000881038436 636073906 /nfs/dbraw/zinc/07/39/06/636073906.db2.gz ZECJBHSHSRCUNI-UHFFFAOYSA-N 0 0 289.360 3.048 20 10 CGCDRN CCCC(C)(C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000845832626 636104743 /nfs/dbraw/zinc/10/47/43/636104743.db2.gz FKMPEPLIBLPSIM-NSHDSACASA-N 0 0 279.380 3.404 20 10 CGCDRN COc1ccc(N(C)Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000845998478 636127787 /nfs/dbraw/zinc/12/77/87/636127787.db2.gz NHTKNBNFSMXVBQ-UHFFFAOYSA-N 0 0 273.380 3.352 20 10 CGCDRN COc1ccc(N(C)Cc2cn(C)nc2C(C)(C)C)cc1 ZINC000845998004 636127924 /nfs/dbraw/zinc/12/79/24/636127924.db2.gz IBLCVDIINIVOTQ-UHFFFAOYSA-N 0 0 287.407 3.363 20 10 CGCDRN Cc1ccc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000846019591 636130632 /nfs/dbraw/zinc/13/06/32/636130632.db2.gz ZVWVDGSSGZVFBJ-YVEFUNNKSA-N 0 0 289.350 3.051 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)COCC1CC1)c1ccc(F)cc1[O-] ZINC000846205174 636158607 /nfs/dbraw/zinc/15/86/07/636158607.db2.gz NRMNHPDIFNCMRH-ABAIWWIYSA-N 0 0 281.371 3.387 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000846212854 636160351 /nfs/dbraw/zinc/16/03/51/636160351.db2.gz PEAMXUZJUBXOKA-VIFPVBQESA-N 0 0 294.301 3.385 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CC1(CC(=O)[O-])CC1 ZINC000846253100 636167337 /nfs/dbraw/zinc/16/73/37/636167337.db2.gz GTURDWJXVCXDPR-UHFFFAOYSA-N 0 0 289.375 3.093 20 10 CGCDRN CN(C[C@@H]1CCOC1)c1ccc(-c2nccs2)cc1 ZINC000846752119 636226074 /nfs/dbraw/zinc/22/60/74/636226074.db2.gz CQKPAQYXBMQNOW-LBPRGKRZSA-N 0 0 274.389 3.283 20 10 CGCDRN Cc1nccn1CCN(C)c1ccc(-c2nccs2)cc1 ZINC000846997637 636305244 /nfs/dbraw/zinc/30/52/44/636305244.db2.gz XEGMGLNEOGIFMO-UHFFFAOYSA-N 0 0 298.415 3.451 20 10 CGCDRN O=C(c1cccc(O)c1O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882746658 636406802 /nfs/dbraw/zinc/40/68/02/636406802.db2.gz PXQOMXLTEBWNET-NHYWBVRUSA-N 0 0 295.338 3.172 20 10 CGCDRN CN(C)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882979357 636485717 /nfs/dbraw/zinc/48/57/17/636485717.db2.gz XZTAHEXTPHKSGN-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000883146846 636556513 /nfs/dbraw/zinc/55/65/13/636556513.db2.gz BABPQCBKZQYEMO-OAHLLOKOSA-N 0 0 291.297 3.032 20 10 CGCDRN C[C@@H](Cc1ccccn1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000848566594 636609324 /nfs/dbraw/zinc/60/93/24/636609324.db2.gz BVKSFPVPHCGNGB-JTQLQIEISA-N 0 0 294.757 3.301 20 10 CGCDRN COc1c(C)ncnc1NCc1ccc(N2CCCC2)cc1 ZINC000848645367 636628165 /nfs/dbraw/zinc/62/81/65/636628165.db2.gz JYMZYZJHMRTEEU-UHFFFAOYSA-N 0 0 298.390 3.006 20 10 CGCDRN C=C/C=C\CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000883268029 636639450 /nfs/dbraw/zinc/63/94/50/636639450.db2.gz APIVWGJNOFTLON-UMCURTJPSA-N 0 0 253.292 3.453 20 10 CGCDRN C=C/C=C/CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000883268028 636639686 /nfs/dbraw/zinc/63/96/86/636639686.db2.gz APIVWGJNOFTLON-ORAHPGNNSA-N 0 0 253.292 3.453 20 10 CGCDRN CCc1cccc(CN(CC(F)F)C2CC2)c1O ZINC000848886367 636675157 /nfs/dbraw/zinc/67/51/57/636675157.db2.gz ZKTBTIKXTWUTMB-UHFFFAOYSA-N 0 0 255.308 3.184 20 10 CGCDRN CCc1cccc(CNc2cccc(C(=O)NC)c2C)c1O ZINC000848888427 636676470 /nfs/dbraw/zinc/67/64/70/636676470.db2.gz AZYJNGIWQDNEAU-UHFFFAOYSA-N 0 0 298.386 3.235 20 10 CGCDRN CCc1cccc(CNc2cnn(CC3CC3)c2)c1O ZINC000848901023 636681286 /nfs/dbraw/zinc/68/12/86/636681286.db2.gz SYVMRURTWIHISY-UHFFFAOYSA-N 0 0 271.364 3.173 20 10 CGCDRN COc1cccc(O)c1CNc1cnc(C)c(C)c1 ZINC000883341961 636688825 /nfs/dbraw/zinc/68/88/25/636688825.db2.gz FUNIEYNAOOBQND-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN CC[C@H](C)NC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028136 636722339 /nfs/dbraw/zinc/72/23/39/636722339.db2.gz BXZKLEFOBIGQSQ-ZETCQYMHSA-N 0 0 290.194 3.111 20 10 CGCDRN CCN(Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000131760654 636747880 /nfs/dbraw/zinc/74/78/80/636747880.db2.gz MVTODHCWXJPVEM-UHFFFAOYSA-N 0 0 271.316 3.147 20 10 CGCDRN Oc1c(Br)cccc1CNc1nccs1 ZINC000085733086 636778464 /nfs/dbraw/zinc/77/84/64/636778464.db2.gz HSVZFEOMZXNMAU-UHFFFAOYSA-N 0 0 285.166 3.223 20 10 CGCDRN CCCN(Cc1cc(C)ccc1O)CC(F)(F)F ZINC000132528526 636816714 /nfs/dbraw/zinc/81/67/14/636816714.db2.gz CNQPOHSQUHLBKH-UHFFFAOYSA-N 0 0 261.287 3.475 20 10 CGCDRN CCCN(Cc1cccc(OC)c1O)CC(F)(F)F ZINC000132536353 636817184 /nfs/dbraw/zinc/81/71/84/636817184.db2.gz OTVQOEQETYAMLZ-UHFFFAOYSA-N 0 0 277.286 3.175 20 10 CGCDRN Cc1oc2ccccc2c1C=C1SC(=S)NC1=O ZINC000133004666 636863324 /nfs/dbraw/zinc/86/33/24/636863324.db2.gz VTCLBSKFJITTLX-IZZDOVSWSA-N 0 0 275.354 3.230 20 10 CGCDRN COc1ccc(N(C)Cc2cc(OC)ccc2O)cc1 ZINC000133064420 636869313 /nfs/dbraw/zinc/86/93/13/636869313.db2.gz REQSGDXJXUWJTC-UHFFFAOYSA-N 0 0 273.332 3.046 20 10 CGCDRN CC(=O)OCCCCSc1ncc(Cl)s1 ZINC000849999005 636924224 /nfs/dbraw/zinc/92/42/24/636924224.db2.gz LWBRQGUBGSXTQF-UHFFFAOYSA-N 0 0 265.787 3.232 20 10 CGCDRN CCc1cc(C(=O)N(C)Cc2ccccc2O)oc1CC ZINC000135035029 637068737 /nfs/dbraw/zinc/06/87/37/637068737.db2.gz DMBDRZKJZJAPAL-UHFFFAOYSA-N 0 0 287.359 3.382 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850524147 637103457 /nfs/dbraw/zinc/10/34/57/637103457.db2.gz FJYZNCJBWZUIIY-KOLCDFICSA-N 0 0 283.318 3.033 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850532324 637109385 /nfs/dbraw/zinc/10/93/85/637109385.db2.gz SLMCOAIJSRXSLG-OXIQGZBJSA-N 0 0 290.363 3.387 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2CCS[C@@H](C)[C@@H]2C)c1O ZINC000135834676 637190735 /nfs/dbraw/zinc/19/07/35/637190735.db2.gz NVWHNTOZZWVDEJ-ONGXEEELSA-N 0 0 297.395 3.060 20 10 CGCDRN Cc1[nH]nc(NCc2c(O)cc(C)cc2Cl)c1C ZINC000886198106 637456733 /nfs/dbraw/zinc/45/67/33/637456733.db2.gz YJBQHFLZMVWLLN-UHFFFAOYSA-N 0 0 265.744 3.306 20 10 CGCDRN CC(C)c1ccccc1C(=O)NCCc1ccc(N)cc1 ZINC000851631743 637461150 /nfs/dbraw/zinc/46/11/50/637461150.db2.gz GBPRICPAFDYNID-UHFFFAOYSA-N 0 0 282.387 3.365 20 10 CGCDRN COCCN(CC1CC=CC1)c1ccc(OC)c(OC)c1 ZINC000851846590 637521100 /nfs/dbraw/zinc/52/11/00/637521100.db2.gz CACCPQPPYBAZSH-UHFFFAOYSA-N 0 0 291.391 3.123 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1c([O-])cccc1F ZINC000886489156 637538873 /nfs/dbraw/zinc/53/88/73/637538873.db2.gz BGKUMJOMUQSBEP-JTQLQIEISA-N 0 0 289.306 3.111 20 10 CGCDRN C[C@H]([NH2+]CCCOCC(F)(F)F)c1c([O-])cccc1F ZINC000886501260 637543169 /nfs/dbraw/zinc/54/31/69/637543169.db2.gz CUQPFNSFYBWKSU-VIFPVBQESA-N 0 0 295.276 3.151 20 10 CGCDRN Cc1nc(CN[C@@H](C)c2c(O)cccc2F)cs1 ZINC000886508655 637544533 /nfs/dbraw/zinc/54/45/33/637544533.db2.gz JDURNZQIBMDPBT-QMMMGPOBSA-N 0 0 266.341 3.147 20 10 CGCDRN Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886530508 637555943 /nfs/dbraw/zinc/55/59/43/637555943.db2.gz LTUZWKGGNCPBDA-MWLCHTKSSA-N 0 0 292.354 3.418 20 10 CGCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886535030 637560166 /nfs/dbraw/zinc/56/01/66/637560166.db2.gz TXFCTEFPOMCLKZ-IUODEOHRSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1cc(CN2CC[C@@H]2C(F)(F)F)ccc1N(C)C ZINC000852058825 637581422 /nfs/dbraw/zinc/58/14/22/637581422.db2.gz NVIXWXSLZLKEHT-CYBMUJFWSA-N 0 0 272.314 3.198 20 10 CGCDRN Cc1cccnc1CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886618707 637611432 /nfs/dbraw/zinc/61/14/32/637611432.db2.gz IMARHHCSNSZYPA-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN CC[C@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000852490926 637662594 /nfs/dbraw/zinc/66/25/94/637662594.db2.gz QQEXOYLIVVLVMY-NWDGAFQWSA-N 0 0 294.395 3.197 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(F)cc1[O-] ZINC000886701482 637663030 /nfs/dbraw/zinc/66/30/30/637663030.db2.gz QDRVCEAIDJYPJO-WCQYABFASA-N 0 0 279.355 3.141 20 10 CGCDRN CN(C)c1ccc(CNC(=O)NCCCC2CCC2)cc1 ZINC000852584373 637682811 /nfs/dbraw/zinc/68/28/11/637682811.db2.gz LXFUFZTZVIACAT-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN CCC[C@H]1CCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000852795740 637714790 /nfs/dbraw/zinc/71/47/90/637714790.db2.gz JTEAAMLPIUBSGM-GOEBONIOSA-N 0 0 274.408 3.144 20 10 CGCDRN CCN(CC)c1ccc(CNc2cc(F)ncn2)cc1F ZINC000853302308 637805224 /nfs/dbraw/zinc/80/52/24/637805224.db2.gz ATAROZPMBBHPFT-UHFFFAOYSA-N 0 0 292.333 3.213 20 10 CGCDRN CN(C)c1ccc(OCc2csc(Cl)n2)cc1 ZINC000853692312 637894041 /nfs/dbraw/zinc/89/40/41/637894041.db2.gz COYJKXGPANRNPM-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN CCOc1cc(Sc2ncc(Cl)s2)nc(C)n1 ZINC000853964598 637965403 /nfs/dbraw/zinc/96/54/03/637965403.db2.gz OTASSFSKKWYSPM-UHFFFAOYSA-N 0 0 287.797 3.445 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CNC)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233108 638030261 /nfs/dbraw/zinc/03/02/61/638030261.db2.gz XQMZIOBCQVSBSJ-LDYMZIIASA-N 0 0 291.222 3.348 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000112447887 638081941 /nfs/dbraw/zinc/08/19/41/638081941.db2.gz IXZDYOSETAVAJE-LLVKDONJSA-N 0 0 295.402 3.126 20 10 CGCDRN C[C@@H](Cc1ccco1)C(=O)NCc1cc(Cl)ccc1O ZINC000855023189 638134785 /nfs/dbraw/zinc/13/47/85/638134785.db2.gz UNYYEUCPRMWUCG-JTQLQIEISA-N 0 0 293.750 3.134 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@H]2CCC[C@@H](C)C2)c1 ZINC000114544380 638375991 /nfs/dbraw/zinc/37/59/91/638375991.db2.gz ISIZHNLGHWRFNJ-OLZOCXBDSA-N 0 0 291.391 3.233 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1ncccc1Cl ZINC000857548648 638516132 /nfs/dbraw/zinc/51/61/32/638516132.db2.gz RXWRYRZGSGSJDC-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547187 638516180 /nfs/dbraw/zinc/51/61/80/638516180.db2.gz UADHXZBDTLMVKZ-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1F ZINC000857547824 638516711 /nfs/dbraw/zinc/51/67/11/638516711.db2.gz VHKBQNPZBJFNHO-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1occc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858106226 638629350 /nfs/dbraw/zinc/62/93/50/638629350.db2.gz SVYKKOKIFBBDRQ-UHFFFAOYSA-N 0 0 280.318 3.222 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)C2CCCC2)c1 ZINC000858219555 638659427 /nfs/dbraw/zinc/65/94/27/638659427.db2.gz RUXAXMIMGYZAHY-GFCCVEGCSA-N 0 0 276.380 3.079 20 10 CGCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1cc(C)ccc1O ZINC000858293300 638673976 /nfs/dbraw/zinc/67/39/76/638673976.db2.gz LKNNBMVVAZUTFF-GXTWGEPZSA-N 0 0 276.380 3.079 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC23CCCCC3)c1 ZINC000858341807 638686767 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COc1cccc2c(NCc3cccc(C)c3O)ncnc12 ZINC001160764401 806300295 /nfs/dbraw/zinc/30/02/95/806300295.db2.gz HLKXVAXZCIPOSF-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CCNC(=O)c1c(F)ccc(O)c1O ZINC001160796074 806304843 /nfs/dbraw/zinc/30/48/43/806304843.db2.gz WHVGTGGFHXTRCI-WDEREUQCSA-N 0 0 295.354 3.183 20 10 CGCDRN CC(C)[C@@H](O)CNc1ccccc1C(=O)c1ccccc1 ZINC001253769841 806303573 /nfs/dbraw/zinc/30/35/73/806303573.db2.gz SRTLUGFKADGMKF-KRWDZBQOSA-N 0 0 283.371 3.346 20 10 CGCDRN Cc1cc(C)c(CNc2nc(C)ncc2C)c(O)c1 ZINC001160810169 806305736 /nfs/dbraw/zinc/30/57/36/806305736.db2.gz LGCZJOKVLGCOTC-UHFFFAOYSA-N 0 0 257.337 3.028 20 10 CGCDRN Cc1cc(C)c(CNc2cncc(N3CCCC3)n2)c(O)c1 ZINC001160809918 806306545 /nfs/dbraw/zinc/30/65/45/806306545.db2.gz DFPJTUNZPUEJGP-UHFFFAOYSA-N 0 0 298.390 3.011 20 10 CGCDRN Cc1cc(C(=O)N2CC=CC2)c(C)n1-c1cccc(C)c1 ZINC001160936296 806324043 /nfs/dbraw/zinc/32/40/43/806324043.db2.gz PMABPRGHEOXDGK-UHFFFAOYSA-N 0 0 280.371 3.415 20 10 CGCDRN CCC[C@H](C)CCNC(=O)NCc1ccccc1O ZINC001254804946 806490777 /nfs/dbraw/zinc/49/07/77/806490777.db2.gz ABKCPWCQTREXSQ-LBPRGKRZSA-N 0 0 264.369 3.018 20 10 CGCDRN Cc1cc(Cl)nc(NCc2ccc(N)cc2)c1[N+](=O)[O-] ZINC001162784168 806664866 /nfs/dbraw/zinc/66/48/66/806664866.db2.gz GGQBQPFLFIJWCI-UHFFFAOYSA-N 0 0 292.726 3.146 20 10 CGCDRN Nc1ccc(CNc2cnc3cccc(Cl)c3n2)cc1 ZINC001162784764 806664888 /nfs/dbraw/zinc/66/48/88/806664888.db2.gz WEWKIYVOSWOGOL-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN CC(C)(C)Oc1cccc(NCc2ccc(N)cc2)n1 ZINC001162785562 806666277 /nfs/dbraw/zinc/66/62/77/806666277.db2.gz HAYXFZOXWCCTAA-UHFFFAOYSA-N 0 0 271.364 3.453 20 10 CGCDRN Nc1ccc(CNc2ccnc(Cc3ccccc3)n2)cc1 ZINC001162788104 806666321 /nfs/dbraw/zinc/66/63/21/806666321.db2.gz YXPAOWAUWMWYIQ-UHFFFAOYSA-N 0 0 290.370 3.262 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(F)c1F ZINC000065425191 798907582 /nfs/dbraw/zinc/90/75/82/798907582.db2.gz FTYLPSGRXAGRPE-UHFFFAOYSA-N 0 0 292.285 3.334 20 10 CGCDRN 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C[N@H+](CCOC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC000690114377 799772628 /nfs/dbraw/zinc/77/26/28/799772628.db2.gz IXXMMUKDAYYNKC-UHFFFAOYSA-N 0 0 271.788 3.293 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000690398782 799775607 /nfs/dbraw/zinc/77/56/07/799775607.db2.gz VGUZIZRGLKKZMW-YPMHNXCESA-N 0 0 280.387 3.055 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000694269375 799820742 /nfs/dbraw/zinc/82/07/42/799820742.db2.gz ZSWASQAVEBKUPB-UFGOTCBOSA-N 0 0 296.208 3.433 20 10 CGCDRN COc1ccc(CN[C@@H](C)c2cscn2)cc1C ZINC000697820475 799850166 /nfs/dbraw/zinc/85/01/66/799850166.db2.gz SRIIPAYMTDPWRR-NSHDSACASA-N 0 0 262.378 3.311 20 10 CGCDRN CC(C)O[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701724937 799893461 /nfs/dbraw/zinc/89/34/61/799893461.db2.gz YQKANSDGJDVFIZ-LBPRGKRZSA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000701933963 799900116 /nfs/dbraw/zinc/90/01/16/799900116.db2.gz CMHRSZNKZWHOQA-IUCAKERBSA-N 0 0 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CGCDRN Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C3CC3)C2)c(Cl)c1 ZINC001462176363 937622820 /nfs/dbraw/zinc/62/28/20/937622820.db2.gz IWXQUOJFURXOEF-BZNIZROVSA-N 0 0 295.810 3.353 20 10 CGCDRN Cc1ccc(O)c(CNc2nccc(C(F)(F)F)n2)c1 ZINC001307170110 932773520 /nfs/dbraw/zinc/77/35/20/932773520.db2.gz UHMOYHHOOCDNDU-UHFFFAOYSA-N 0 0 283.253 3.122 20 10 CGCDRN CCCc1ccccc1C(=O)NCc1c(O)cccc1F ZINC001303876396 932835909 /nfs/dbraw/zinc/83/59/09/932835909.db2.gz ZRGOISWNDJUCAR-UHFFFAOYSA-N 0 0 287.334 3.414 20 10 CGCDRN Cc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001305069874 932861055 /nfs/dbraw/zinc/86/10/55/932861055.db2.gz SNBMRNQIPPJLFQ-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN C[C@@H]1CC[C@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC001305085165 932862275 /nfs/dbraw/zinc/86/22/75/932862275.db2.gz RFBUZHQXVWAQEP-MNOVXSKESA-N 0 0 281.783 3.488 20 10 CGCDRN CC[C@H]1COC(C)(C)CN1Cc1cc(F)c(F)cc1O ZINC001462417170 937639178 /nfs/dbraw/zinc/63/91/78/937639178.db2.gz YVDWNQXFWOOAOQ-NSHDSACASA-N 0 0 285.334 3.060 20 10 CGCDRN COc1ccc(N(C[C@H]2COC(C)(C)O2)C(C)C)cc1F ZINC001307573140 932970787 /nfs/dbraw/zinc/97/07/87/932970787.db2.gz GXZGHUFOFYJNLC-ZDUSSCGKSA-N 0 0 297.370 3.201 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@H]1C[C@@]12CCOC2 ZINC001307592334 932973277 /nfs/dbraw/zinc/97/32/77/932973277.db2.gz ZNMYZXYKXQSGHB-CRAIPNDOSA-N 0 0 287.403 3.265 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCO[C@H]2C)cc1 ZINC001307678966 932985049 /nfs/dbraw/zinc/98/50/49/932985049.db2.gz PFYGMQRAYNRZOV-KBPBESRZSA-N 0 0 263.381 3.335 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC001307905971 933017931 /nfs/dbraw/zinc/01/79/31/933017931.db2.gz SUTOSEFFOFLPCJ-JKSUJKDBSA-N 0 0 261.365 3.089 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC001308240150 933078542 /nfs/dbraw/zinc/07/85/42/933078542.db2.gz NUYODDJZKNGMJN-UHFFFAOYSA-N 0 0 299.267 3.281 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC001308548488 933129528 /nfs/dbraw/zinc/12/95/28/933129528.db2.gz VYYDJUPQSPYFTH-UHFFFAOYSA-N 0 0 287.750 3.212 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+]C12CCC(CC1)C2 ZINC001308685252 933157261 /nfs/dbraw/zinc/15/72/61/933157261.db2.gz MIECCHPJFPONEA-UHFFFAOYSA-N 0 0 251.757 3.468 20 10 CGCDRN COCc1ccccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001310127250 933252441 /nfs/dbraw/zinc/25/24/41/933252441.db2.gz IVEKLXQCYQEQJH-UHFFFAOYSA-N 0 0 298.342 3.086 20 10 CGCDRN CC(C)CC[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC001467704245 937720836 /nfs/dbraw/zinc/72/08/36/937720836.db2.gz GPDFCBJXLFKNPQ-LLVKDONJSA-N 0 0 282.359 3.155 20 10 CGCDRN Cc1cc(C)c(O)c(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001319478862 933882342 /nfs/dbraw/zinc/88/23/42/933882342.db2.gz MUSOZDHKLLEXCW-UHFFFAOYSA-N 0 0 298.342 3.433 20 10 CGCDRN CCCCCCN(O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001467968267 937723490 /nfs/dbraw/zinc/72/34/90/937723490.db2.gz JWGOKVKFYORZQH-UHFFFAOYSA-N 0 0 293.411 3.234 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC001468430854 937728140 /nfs/dbraw/zinc/72/81/40/937728140.db2.gz FZFSTPPFLYIILA-CHWSQXEVSA-N 0 0 288.391 3.244 20 10 CGCDRN CC(=O)Nc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC001320090357 933997159 /nfs/dbraw/zinc/99/71/59/933997159.db2.gz AMSNGKIPVGXORM-GFCCVEGCSA-N 0 0 298.390 3.279 20 10 CGCDRN CN(C(=O)c1ccccc1-c1cn[nH]c1)c1ccsc1 ZINC001469592710 937740917 /nfs/dbraw/zinc/74/09/17/937740917.db2.gz WAUMGFSSOCXJJR-UHFFFAOYSA-N 0 0 283.356 3.415 20 10 CGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1cccc2cc[nH]c21 ZINC001470984622 937760115 /nfs/dbraw/zinc/76/01/15/937760115.db2.gz FQCBBBAUKSGYFO-AATRIKPKSA-N 0 0 295.317 3.378 20 10 CGCDRN CC(C)C[C@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001323481933 934401774 /nfs/dbraw/zinc/40/17/74/934401774.db2.gz FAXGKQQFMIYANH-QMMMGPOBSA-N 0 0 281.743 3.497 20 10 CGCDRN Cc1cccc2cc(C(=O)NCc3c(O)cccc3O)oc21 ZINC001472062998 937771937 /nfs/dbraw/zinc/77/19/37/937771937.db2.gz BJRJRPJWGOJAOL-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(Cl)ccn1 ZINC001472593749 937777967 /nfs/dbraw/zinc/77/79/67/937777967.db2.gz AFLVIMVSYHYSMG-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN Cc1ccc(O)c(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001324749757 934562425 /nfs/dbraw/zinc/56/24/25/934562425.db2.gz GARLDPDSWAZUMC-UHFFFAOYSA-N 0 0 284.315 3.125 20 10 CGCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCF ZINC001472772779 937783421 /nfs/dbraw/zinc/78/34/21/937783421.db2.gz FYPGMFFPXTVJFZ-UHFFFAOYSA-N 0 0 288.278 3.207 20 10 CGCDRN COc1cccc(CSc2ncc(Cl)s2)n1 ZINC001473065885 937791394 /nfs/dbraw/zinc/79/13/94/937791394.db2.gz FVOVVPANGBDNDT-UHFFFAOYSA-N 0 0 272.782 3.492 20 10 CGCDRN CCc1nc(CNCc2ccc(N3CCCC3)cc2)co1 ZINC001326451352 934981234 /nfs/dbraw/zinc/98/12/34/934981234.db2.gz KXXLGHQUQYTSTA-UHFFFAOYSA-N 0 0 285.391 3.127 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCC[C@@H]1CCOC1 ZINC001327502845 935064408 /nfs/dbraw/zinc/06/44/08/935064408.db2.gz HFWJGIFECVKUAR-AWEZNQCLSA-N 0 0 261.365 3.092 20 10 CGCDRN CC(C)(C)CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC001330273530 935282591 /nfs/dbraw/zinc/28/25/91/935282591.db2.gz GQWXWQBNTMCNFY-UHFFFAOYSA-N 0 0 276.380 3.244 20 10 CGCDRN C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(O)cc1O ZINC001332165761 935444876 /nfs/dbraw/zinc/44/48/76/935444876.db2.gz NNXJBRHUGFVSOH-LBPRGKRZSA-N 0 0 291.391 3.321 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1ccccc1O ZINC001332409844 935466550 /nfs/dbraw/zinc/46/65/50/935466550.db2.gz WRFKBOKJDXOGJI-MUGBGTHKSA-N 0 0 288.391 3.045 20 10 CGCDRN CC(C)CC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337070411 936235574 /nfs/dbraw/zinc/23/55/74/936235574.db2.gz PZBNLGPZSVCJGX-UHFFFAOYSA-N 0 0 289.423 3.237 20 10 CGCDRN C[C@H]1CN(Cc2ccc(N)cc2)C[C@H](c2ccsc2)O1 ZINC001337837577 936293691 /nfs/dbraw/zinc/29/36/91/936293691.db2.gz CSSWODQYULUJKH-BLLLJJGKSA-N 0 0 288.416 3.292 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC001474394252 937857023 /nfs/dbraw/zinc/85/70/23/937857023.db2.gz FYRFPEMMRZMYDP-HNNXBMFYSA-N 0 0 295.810 3.437 20 10 CGCDRN CCCc1nc(C)c(C[NH2+]Cc2cc(F)c(F)cc2[O-])o1 ZINC001474557966 937866576 /nfs/dbraw/zinc/86/65/76/937866576.db2.gz OKMCVFIAXDVFRD-UHFFFAOYSA-N 0 0 296.317 3.209 20 10 CGCDRN CC(C)c1oncc1C(=O)NCc1cc(Cl)ccc1O ZINC001520274347 938024268 /nfs/dbraw/zinc/02/42/68/938024268.db2.gz YUELAJAWTJIEII-UHFFFAOYSA-N 0 0 294.738 3.087 20 10 CGCDRN CC[C@@H](CC(=O)NCc1cccc(O)c1O)C(C)(C)C ZINC001521852219 938034757 /nfs/dbraw/zinc/03/47/57/938034757.db2.gz SMHOXPYQOYTHJH-LBPRGKRZSA-N 0 0 279.380 3.176 20 10 CGCDRN Nc1ccc(CC(=O)NC[C@@H]2CCC=CCCC2)cc1 ZINC001523499764 938039773 /nfs/dbraw/zinc/03/97/73/938039773.db2.gz CSAGNRDNSWOHGH-OAHLLOKOSA-N 0 0 272.392 3.064 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001525082102 938047654 /nfs/dbraw/zinc/04/76/54/938047654.db2.gz ZSBPBQWBMWTDFC-HTQZYQBOSA-N 0 0 293.754 3.497 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C\c1cnn(C)c1)CC[C@@H]2C ZINC001526673381 938057358 /nfs/dbraw/zinc/05/73/58/938057358.db2.gz TZISREKZHBYUMN-WSROAFLRSA-N 0 0 295.386 3.282 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2cccc(Cl)n2)s1 ZINC001528256228 938066490 /nfs/dbraw/zinc/06/64/90/938066490.db2.gz PTBXHDJSHRJVKA-VOTSOKGWSA-N 0 0 293.779 3.176 20 10 CGCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)CCC2 ZINC001533906379 938092983 /nfs/dbraw/zinc/09/29/83/938092983.db2.gz VWUVQIWWQNFZDY-TWGQIWQCSA-N 0 0 294.354 3.083 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cccnc1C)CC2 ZINC001534244552 938095261 /nfs/dbraw/zinc/09/52/61/938095261.db2.gz NDTPRYJNGONKKX-CMDGGOBGSA-N 0 0 278.355 3.301 20 10 CGCDRN CCc1ccc(F)cc1C(=O)NCc1cc(C)ccc1O ZINC001557552458 938210626 /nfs/dbraw/zinc/21/06/26/938210626.db2.gz JKKUFUGQRWMNFW-UHFFFAOYSA-N 0 0 287.334 3.332 20 10 CGCDRN C[C@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1O ZINC001557967980 938212890 /nfs/dbraw/zinc/21/28/90/938212890.db2.gz CQDWXRHMLZUHSP-WEHUKYGOSA-N 0 0 285.318 3.422 20 10 CGCDRN Cc1nccnc1CSc1ncc(-c2ccccc2)n1C ZINC001559341911 938225465 /nfs/dbraw/zinc/22/54/65/938225465.db2.gz HSDOCTCOHMAHSD-UHFFFAOYSA-N 0 0 296.399 3.478 20 10 CGCDRN CCOc1ccc(N(Cc2cnsn2)CC2CC2)cc1 ZINC001560069892 938243142 /nfs/dbraw/zinc/24/31/42/938243142.db2.gz GYMYDUCEHHCDCO-UHFFFAOYSA-N 0 0 289.404 3.353 20 10 CGCDRN Cn1cnc2cc(NCc3cccc([N+](=O)[O-])c3)ccc21 ZINC001560379251 938256044 /nfs/dbraw/zinc/25/60/44/938256044.db2.gz UVMCZVWWVTYBFJ-UHFFFAOYSA-N 0 0 282.303 3.094 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CC=C(C(F)(F)F)CC1 ZINC001560637916 938267549 /nfs/dbraw/zinc/26/75/49/938267549.db2.gz UKXOKAOHQUEWGS-UHFFFAOYSA-N 0 0 293.235 3.365 20 10 CGCDRN CC[C@@H]1CO[C@@H](C)CN1Cc1c(O)cc(C)cc1Cl ZINC001560726955 938272560 /nfs/dbraw/zinc/27/25/60/938272560.db2.gz LPEKQDFNNBOCLO-NWDGAFQWSA-N 0 0 283.799 3.353 20 10 CGCDRN CC[C@@]1(C)CN(Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001560761564 938274649 /nfs/dbraw/zinc/27/46/49/938274649.db2.gz JTZBMKSRASGUCO-HNNXBMFYSA-N 0 0 283.799 3.355 20 10 CGCDRN CN(C)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001562167410 938298265 /nfs/dbraw/zinc/29/82/65/938298265.db2.gz BDYBKIZNJIYERA-UHFFFAOYSA-N 0 0 297.358 3.006 20 10 CGCDRN C=Cc1ccccc1NC(=O)NCc1ccccc1O ZINC001563176600 938301055 /nfs/dbraw/zinc/30/10/55/938301055.db2.gz HGXKLIHIDSYANJ-UHFFFAOYSA-N 0 0 268.316 3.357 20 10 CGCDRN CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(C)ccc1O ZINC001563543102 938303935 /nfs/dbraw/zinc/30/39/35/938303935.db2.gz PHZLXPNWGFGWHL-DZGCQCFKSA-N 0 0 290.407 3.469 20 10 CGCDRN Cc1ccc(CN(C(=O)NCc2ccc(N)cc2)C2CC2)o1 ZINC001579690227 962656480 /nfs/dbraw/zinc/65/64/80/962656480.db2.gz CQRGFQDUYSWQCW-UHFFFAOYSA-N 0 0 299.374 3.044 20 10 CGCDRN Nc1ccc(CNC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC001580445516 962727318 /nfs/dbraw/zinc/72/73/18/962727318.db2.gz HOYDKTMBHZXBOD-UHFFFAOYSA-N 0 0 281.359 3.079 20 10 CGCDRN Nc1ccc(CNC(=O)/C=C/Sc2ccccc2)cc1 ZINC001580443604 962727541 /nfs/dbraw/zinc/72/75/41/962727541.db2.gz SGRUIMUCUCUXQT-ZHACJKMWSA-N 0 0 284.384 3.191 20 10 CGCDRN COc1ccc(N(C)C(=O)/C(C)=C/c2cccnc2)cc1 ZINC001585502001 963014550 /nfs/dbraw/zinc/01/45/50/963014550.db2.gz VOKQGLNKYNLIPL-ACCUITESSA-N 0 0 282.343 3.157 20 10 CGCDRN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC001587446955 963194547 /nfs/dbraw/zinc/19/45/47/963194547.db2.gz DKFFIGAODPSDFO-VIFPVBQESA-N 0 0 289.356 3.147 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccccc1O ZINC001595317636 980495777 /nfs/dbraw/zinc/49/57/77/980495777.db2.gz YVJBPPVZPGVOIN-OUCADQQQSA-N 0 0 277.364 3.076 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593219797 994305025 /nfs/dbraw/zinc/30/50/25/994305025.db2.gz OUMUTPUJZHTFLK-CMPLNLGQSA-N 0 0 277.364 3.320 20 10 CGCDRN CC(C)C1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001593250103 994483285 /nfs/dbraw/zinc/48/32/85/994483285.db2.gz QOOFIQCYWZTDGX-LLVKDONJSA-N 0 0 277.364 3.177 20 10 CGCDRN CC1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)CCC1 ZINC001594010716 997448039 /nfs/dbraw/zinc/44/80/39/997448039.db2.gz SBAFEPWMWWDMMG-UHFFFAOYSA-N 0 0 297.782 3.122 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCc1ccccc1 ZINC000001642248 344856383 /nfs/dbraw/zinc/85/63/83/344856383.db2.gz RUTDTHOYUUOTNF-PKNBQFBNSA-N 0 0 298.338 3.287 20 10 CGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cnccn1)CCC2 ZINC000066476089 345296786 /nfs/dbraw/zinc/29/67/86/345296786.db2.gz DMPGLXPXCGBCIF-AATRIKPKSA-N 0 0 293.370 3.086 20 10 CGCDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccccc2O)c1 ZINC000089635674 345772027 /nfs/dbraw/zinc/77/20/27/345772027.db2.gz QVLCFPCXCYDQGC-UHFFFAOYSA-N 0 0 272.304 3.245 20 10 CGCDRN CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000179523442 346253248 /nfs/dbraw/zinc/25/32/48/346253248.db2.gz VWRPDXLFNGOWKN-UHFFFAOYSA-N 0 0 287.407 3.029 20 10 CGCDRN CCc1ncnc(N[C@H](C)c2ccc(N(C)C)cc2)c1F ZINC000302454648 346441561 /nfs/dbraw/zinc/44/15/61/346441561.db2.gz UFERVAHLFZMVDD-LLVKDONJSA-N 0 0 288.370 3.417 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000124604379 370926072 /nfs/dbraw/zinc/92/60/72/370926072.db2.gz GATSCORGFUYDSN-GHMZBOCLSA-N 0 0 251.757 3.278 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(C)nn1C)c1cccc(Cl)c1[O-] ZINC000287094497 371602491 /nfs/dbraw/zinc/60/24/91/371602491.db2.gz PPBRQUUUBMXCPA-AWEZNQCLSA-N 0 0 293.798 3.328 20 10 CGCDRN Cc1ccc(O)c(CN[C@H](C2CC2)C(F)(F)F)c1 ZINC000288379852 371735686 /nfs/dbraw/zinc/73/56/86/371735686.db2.gz FZGRTPYHJDALEL-GFCCVEGCSA-N 0 0 259.271 3.131 20 10 CGCDRN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000291209632 372140015 /nfs/dbraw/zinc/14/00/15/372140015.db2.gz IIZOEQRTTNWXHM-GFCCVEGCSA-N 0 0 269.772 3.045 20 10 CGCDRN OC[C@H]1CN(Cc2c(O)cccc2Cl)c2ccccc21 ZINC000293888827 372513070 /nfs/dbraw/zinc/51/30/70/372513070.db2.gz KFVSUABODOYYSI-LLVKDONJSA-N 0 0 289.762 3.142 20 10 CGCDRN CC(C)[C@@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000293911226 372520894 /nfs/dbraw/zinc/52/08/94/372520894.db2.gz FYPNZODEXJVJKC-INIZCTEOSA-N 0 0 297.826 3.276 20 10 CGCDRN Cc1cccnc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294941761 372680521 /nfs/dbraw/zinc/68/05/21/372680521.db2.gz GXHBTSWRWXIGAA-UHFFFAOYSA-N 0 0 276.767 3.081 20 10 CGCDRN COC(=O)c1cnc(SCOCCC(C)(C)C)s1 ZINC000295426393 372778591 /nfs/dbraw/zinc/77/85/91/372778591.db2.gz YRMUCRLAVYLBIZ-UHFFFAOYSA-N 0 0 289.422 3.432 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000295824401 372923518 /nfs/dbraw/zinc/92/35/18/372923518.db2.gz BZHKHLBXMJQMNE-ZJUUUORDSA-N 0 0 295.333 3.299 20 10 CGCDRN COc1cccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295780325 372908618 /nfs/dbraw/zinc/90/86/18/372908618.db2.gz AVXJLEQQGNPMNU-MRXNPFEDSA-N 0 0 283.371 3.220 20 10 CGCDRN CCN1C(=O)/C(=C/c2ccsc2C)SC1=S ZINC000296061573 373008759 /nfs/dbraw/zinc/00/87/59/373008759.db2.gz XFXDMHCFHWWHKK-TWGQIWQCSA-N 0 0 269.416 3.278 20 10 CGCDRN O=C1NC(=S)S/C1=C/c1ccc(C2CCC2)cc1 ZINC000296069147 373012408 /nfs/dbraw/zinc/01/24/08/373012408.db2.gz XTPYYOOEWLXOQN-XYOKQWHBSA-N 0 0 275.398 3.443 20 10 CGCDRN CCC[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173187033 373104989 /nfs/dbraw/zinc/10/49/89/373104989.db2.gz BHOXJZWRFBDXQT-ZDUSSCGKSA-N 0 0 290.407 3.304 20 10 CGCDRN CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N)cc1 ZINC000297233953 373261356 /nfs/dbraw/zinc/26/13/56/373261356.db2.gz PEWQMAGKVXRASG-MRXNPFEDSA-N 0 0 298.386 3.051 20 10 CGCDRN Nc1ccc(CNC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000297263115 373263464 /nfs/dbraw/zinc/26/34/64/373263464.db2.gz RVTLQKYMUFBZSQ-UHFFFAOYSA-N 0 0 298.361 3.146 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)CSc2nccs2)[C@H]1C ZINC000298818605 373413909 /nfs/dbraw/zinc/41/39/09/373413909.db2.gz MTGKSUZYTHKYON-OUAUKWLOSA-N 0 0 284.450 3.176 20 10 CGCDRN C[C@H](N(C)C(=O)NCc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000176863547 373637326 /nfs/dbraw/zinc/63/73/26/373637326.db2.gz ZAPYKYCLTQAXOX-ZDUSSCGKSA-N 0 0 289.423 3.083 20 10 CGCDRN CN(C)c1ccc(CNc2noc(C(C)(C)C)n2)cc1F ZINC000302146789 373822684 /nfs/dbraw/zinc/82/26/84/373822684.db2.gz RMYIGCHRFBJEOV-UHFFFAOYSA-N 0 0 292.358 3.184 20 10 CGCDRN Cc1nsc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302428059 373865553 /nfs/dbraw/zinc/86/55/53/373865553.db2.gz PARBRLINNBHYHQ-VIFPVBQESA-N 0 0 262.382 3.086 20 10 CGCDRN CC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000179724777 373909708 /nfs/dbraw/zinc/90/97/08/373909708.db2.gz INFQRFQZBSAHJD-UHFFFAOYSA-N 0 0 290.190 3.046 20 10 CGCDRN Cc1cccc([N+](=O)[O-])c1N(C)Cc1ccccc1O ZINC000302652765 373916711 /nfs/dbraw/zinc/91/67/11/373916711.db2.gz NJMUCZABWINSCR-UHFFFAOYSA-N 0 0 272.304 3.245 20 10 CGCDRN CN1CCCc2cc(CNc3ncncc3Cl)ccc21 ZINC000302689731 373928439 /nfs/dbraw/zinc/92/84/39/373928439.db2.gz ZFBGXDFZBQIMCN-UHFFFAOYSA-N 0 0 288.782 3.125 20 10 CGCDRN CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415687 374001871 /nfs/dbraw/zinc/00/18/71/374001871.db2.gz DUOLJHWUTPCYIP-DOMZBBRYSA-N 0 0 296.842 3.208 20 10 CGCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)nnc1C ZINC000302790337 373965711 /nfs/dbraw/zinc/96/57/11/373965711.db2.gz GHXZFJGZKUSGEU-UHFFFAOYSA-N 0 0 270.380 3.080 20 10 CGCDRN C[C@@H]1C[C@H](C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181252252 374099000 /nfs/dbraw/zinc/09/90/00/374099000.db2.gz LPQDIYQMWHJHSM-LOWFTVKWSA-N 0 0 289.375 3.006 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(C(C)(C)C)s2)c1 ZINC000181590462 374144021 /nfs/dbraw/zinc/14/40/21/374144021.db2.gz IENWYQWMOZAHFT-UHFFFAOYSA-N 0 0 277.393 3.462 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c1 ZINC000184969453 374573117 /nfs/dbraw/zinc/57/31/17/374573117.db2.gz LIWZIWRRWPFPHK-CQSZACIVSA-N 0 0 295.386 3.242 20 10 CGCDRN CCOC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000188002989 375137393 /nfs/dbraw/zinc/13/73/93/375137393.db2.gz YWXHPOJJFMTKCX-CYBMUJFWSA-N 0 0 271.788 3.196 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1c(C)ccn1C ZINC000190115328 375479278 /nfs/dbraw/zinc/47/92/78/375479278.db2.gz KIMFFOQBTWOVDO-UHFFFAOYSA-N 0 0 286.375 3.092 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000191182121 375591011 /nfs/dbraw/zinc/59/10/11/375591011.db2.gz NCMUZADMLSWBJC-NXEZZACHSA-N 0 0 278.302 3.477 20 10 CGCDRN CC[C@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191394266 375622471 /nfs/dbraw/zinc/62/24/71/375622471.db2.gz WULYMHMXGTWRKQ-ZDUSSCGKSA-N 0 0 262.397 3.147 20 10 CGCDRN CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000193138451 375832418 /nfs/dbraw/zinc/83/24/18/375832418.db2.gz BFSRESPRSQTTDG-LBPRGKRZSA-N 0 0 277.364 3.139 20 10 CGCDRN O=C(CC1(c2ccccc2)CC1)NCc1ccccc1O ZINC000528854250 375912057 /nfs/dbraw/zinc/91/20/57/375912057.db2.gz JUIRONQZZGTXSC-UHFFFAOYSA-N 0 0 281.355 3.130 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000223914402 376266305 /nfs/dbraw/zinc/26/63/05/376266305.db2.gz ZCAJPSVCVYJQHE-BLLLJJGKSA-N 0 0 290.432 3.198 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)[C@@H](C)C1 ZINC000247217367 377179548 /nfs/dbraw/zinc/17/95/48/377179548.db2.gz MFJXPGKGCGPNIZ-IPYPFGDCSA-N 0 0 290.407 3.358 20 10 CGCDRN COC(=O)C(C)(C)NCc1cc(-c2ccccc2)ccc1O ZINC000272014879 378546112 /nfs/dbraw/zinc/54/61/12/378546112.db2.gz DKOGKSHGFLBQEI-UHFFFAOYSA-N 0 0 299.370 3.100 20 10 CGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCC[C@H]1O ZINC000272646292 378682501 /nfs/dbraw/zinc/68/25/01/378682501.db2.gz PDOMDGDRHJLDLG-SMDDNHRTSA-N 0 0 283.799 3.029 20 10 CGCDRN Cc1cccc(CNc2ccc(C(=O)NC(C)C)cc2)c1O ZINC000272706188 378691830 /nfs/dbraw/zinc/69/18/30/378691830.db2.gz BSKRSBMIQRXKPU-UHFFFAOYSA-N 0 0 298.386 3.451 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]Cc2cn3ccsc3n2)c(O)c1 ZINC000273386047 378744281 /nfs/dbraw/zinc/74/42/81/378744281.db2.gz JPNWUDFKMZYUTA-NSHDSACASA-N 0 0 287.388 3.261 20 10 CGCDRN CC(C)CCOCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273593404 378756718 /nfs/dbraw/zinc/75/67/18/378756718.db2.gz PWFMILHJUSUVFE-LBPRGKRZSA-N 0 0 296.367 3.014 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375306391 379491686 /nfs/dbraw/zinc/49/16/86/379491686.db2.gz ZFDFPBOYVTWFGA-HNNXBMFYSA-N 0 0 281.783 3.048 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)C(C)(C)C ZINC000282503108 379933646 /nfs/dbraw/zinc/93/36/46/379933646.db2.gz NQRDTIHUAFAJPM-UHFFFAOYSA-N 0 0 291.391 3.136 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)SC ZINC000282594566 379950741 /nfs/dbraw/zinc/95/07/41/379950741.db2.gz XIHQGBBTKAYPSX-LBPRGKRZSA-N 0 0 281.421 3.272 20 10 CGCDRN CC[C@@H](Nc1c(C)nn(C)c1C)c1ccc(F)cc1O ZINC000286149938 380167130 /nfs/dbraw/zinc/16/71/30/380167130.db2.gz OUESQUBQHSIXMM-CYBMUJFWSA-N 0 0 277.343 3.445 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(F)cc1[O-] ZINC000286176427 380170748 /nfs/dbraw/zinc/17/07/48/380170748.db2.gz QPIOTUFAXTZVKS-CQSZACIVSA-N 0 0 262.328 3.111 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccc(F)cc1[O-] ZINC000285769225 380152554 /nfs/dbraw/zinc/15/25/54/380152554.db2.gz SRKXXKYNVXOQPU-ZUZCIYMTSA-N 0 0 291.370 3.375 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCCF ZINC000361565677 381809220 /nfs/dbraw/zinc/80/92/20/381809220.db2.gz QHNUTJMXOJPPHJ-UHFFFAOYSA-N 0 0 291.370 3.036 20 10 CGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000186416096 262092152 /nfs/dbraw/zinc/09/21/52/262092152.db2.gz GWFWZCHKBRIAIY-BBRMVZONSA-N 0 0 261.365 3.033 20 10 CGCDRN C/C(=C\C(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000174516477 392642597 /nfs/dbraw/zinc/64/25/97/392642597.db2.gz OWQUZCUJNMSVDM-ZRDIBKRKSA-N 0 0 285.387 3.244 20 10 CGCDRN Oc1ccccc1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000179568652 392703708 /nfs/dbraw/zinc/70/37/08/392703708.db2.gz BLGQEIOCQQWUBM-QGZVFWFLSA-N 0 0 287.334 3.105 20 10 CGCDRN CCc1ccc([C@@H]2COCCN2Cc2ccccc2O)o1 ZINC000179576363 392704321 /nfs/dbraw/zinc/70/43/21/392704321.db2.gz GRTIEEGLIJWJQW-HNNXBMFYSA-N 0 0 287.359 3.121 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCCO[C@H]1CCCCO1 ZINC000194718179 392935191 /nfs/dbraw/zinc/93/51/91/392935191.db2.gz FQLBSQHMRWKJHR-KRWDZBQOSA-N 0 0 291.391 3.209 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccncc1C ZINC000348664548 393126935 /nfs/dbraw/zinc/12/69/35/393126935.db2.gz GTWVVUAZBUICQQ-UHFFFAOYSA-N 0 0 293.370 3.120 20 10 CGCDRN Cc1noc(COc2ccc3c(c2)c2c(n3C)CCCC2)n1 ZINC000647164391 393363980 /nfs/dbraw/zinc/36/39/80/393363980.db2.gz SUYSNXMHSGFPFF-UHFFFAOYSA-N 0 0 297.358 3.328 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000301911543 286248779 /nfs/dbraw/zinc/24/87/79/286248779.db2.gz GPQDSSNZFSRYAP-GHMZBOCLSA-N 0 0 294.351 3.094 20 10 CGCDRN CC[C@@H]([NH2+]CCCOC)c1cccc(Cl)c1[O-] ZINC000286807815 286906950 /nfs/dbraw/zinc/90/69/50/286906950.db2.gz BCWVIYMKAWUZMS-GFCCVEGCSA-N 0 0 257.761 3.123 20 10 CGCDRN COc1ccccc1NCc1ccc(N(C)C)cc1 ZINC000008701761 170347042 /nfs/dbraw/zinc/34/70/42/170347042.db2.gz YGBYIHOLIUPWPL-UHFFFAOYSA-N 0 0 256.349 3.373 20 10 CGCDRN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000018150447 170744074 /nfs/dbraw/zinc/74/40/74/170744074.db2.gz MOXWRNOFIZTEEC-UHFFFAOYSA-N 0 0 298.386 3.033 20 10 CGCDRN CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000079300175 260175485 /nfs/dbraw/zinc/17/54/85/260175485.db2.gz BUAVSKUSBIHOTR-HNNXBMFYSA-N 0 0 288.435 3.486 20 10 CGCDRN O[C@H](COc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000155248982 261100177 /nfs/dbraw/zinc/10/01/77/261100177.db2.gz NCWUWKXKRGAJCP-SFHVURJKSA-N 0 0 297.398 3.269 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)C1CCCCC1 ZINC000159136991 261179577 /nfs/dbraw/zinc/17/95/77/261179577.db2.gz KFZIJUYGWMWDRX-LBPRGKRZSA-N 0 0 291.391 3.321 20 10 CGCDRN CC(C)(C)c1cnc(SCCn2ccnc2)s1 ZINC000160171935 261207129 /nfs/dbraw/zinc/20/71/29/261207129.db2.gz RITODHPYEFFKFV-UHFFFAOYSA-N 0 0 267.423 3.429 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCSC1 ZINC000162692171 261291494 /nfs/dbraw/zinc/29/14/94/261291494.db2.gz WXXOSIMHRDJXIO-JTQLQIEISA-N 0 0 257.786 3.031 20 10 CGCDRN Cc1nnc(CSc2ncc(C(C)(C)C)s2)n1C ZINC000164056224 261339136 /nfs/dbraw/zinc/33/91/36/261339136.db2.gz UDKDDXKXAIMNIR-UHFFFAOYSA-N 0 0 282.438 3.170 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1(Cc2ccccc2)CC1 ZINC000176275394 261645774 /nfs/dbraw/zinc/64/57/74/261645774.db2.gz XHIMFUAFSFMPDV-UHFFFAOYSA-N 0 0 295.382 3.374 20 10 CGCDRN C[C@@H](N(C)C(=O)NCc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000176863564 261673571 /nfs/dbraw/zinc/67/35/71/261673571.db2.gz ZAPYKYCLTQAXOX-CYBMUJFWSA-N 0 0 289.423 3.083 20 10 CGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000185528940 262058931 /nfs/dbraw/zinc/05/89/31/262058931.db2.gz IMLNITYOIRYPQF-MEBBXXQBSA-N 0 0 295.379 3.151 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(C)C ZINC000282478119 263077060 /nfs/dbraw/zinc/07/70/60/263077060.db2.gz CCCAMAHGDHUOQB-UHFFFAOYSA-N 0 0 278.396 3.360 20 10 CGCDRN Cc1ccsc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000299333729 263239503 /nfs/dbraw/zinc/23/95/03/263239503.db2.gz NWCRUIVZKYKIIQ-UHFFFAOYSA-N 0 0 292.379 3.192 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287549520 288042912 /nfs/dbraw/zinc/04/29/12/288042912.db2.gz FOIVWIGVVJMTHK-WDMOLILDSA-N 0 0 285.815 3.493 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)CCCO)c1cccc(Cl)c1[O-] ZINC000296331574 288042960 /nfs/dbraw/zinc/04/29/60/288042960.db2.gz HJEQIFPOFVDIML-FZMZJTMJSA-N 0 0 285.815 3.495 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](C)CC2)cc1OC ZINC000301921362 295027347 /nfs/dbraw/zinc/02/73/47/295027347.db2.gz KZPMRLWVHHJLRX-NSHDSACASA-N 0 0 294.351 3.238 20 10 CGCDRN CC[C@@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C ZINC000186395440 327853517 /nfs/dbraw/zinc/85/35/17/327853517.db2.gz YZZDVKRNIUUYFI-OCCSQVGLSA-N 0 0 293.407 3.217 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1noc(C2CC2)n1 ZINC000270941805 328194123 /nfs/dbraw/zinc/19/41/23/328194123.db2.gz YURLBMURTFKOKU-UHFFFAOYSA-N 0 0 299.374 3.299 20 10 CGCDRN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271805858 328197386 /nfs/dbraw/zinc/19/73/86/328197386.db2.gz JVRIFIPDWZUSPL-JSGCOSHPSA-N 0 0 283.799 3.339 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCc3ccccc32)s1 ZINC000112227632 328390746 /nfs/dbraw/zinc/39/07/46/328390746.db2.gz GVLXHGSSDMJFFM-VOTSOKGWSA-N 0 0 270.357 3.054 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C)C1 ZINC000410412155 327192310 /nfs/dbraw/zinc/19/23/10/327192310.db2.gz ANSOPMOVTPLSES-LBPRGKRZSA-N 0 0 285.391 3.038 20 10 CGCDRN COC[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000375098765 329000550 /nfs/dbraw/zinc/00/05/50/329000550.db2.gz ZEKMMDSXHOSGSN-LBPRGKRZSA-N 0 0 283.799 3.294 20 10 CGCDRN Cc1nc([C@@H]2CCCCN2Cc2cccc(C)c2O)no1 ZINC000378443717 329050471 /nfs/dbraw/zinc/05/04/71/329050471.db2.gz NVFOSYVSMNMXLK-AWEZNQCLSA-N 0 0 287.363 3.119 20 10 CGCDRN Cn1cc(CN2CCc3ccccc32)c(-c2cccnc2)n1 ZINC000180545692 329220532 /nfs/dbraw/zinc/22/05/32/329220532.db2.gz CBUCRQZBTKIVAI-UHFFFAOYSA-N 0 0 290.370 3.045 20 10 CGCDRN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)c1ccccc1 ZINC000191026216 329405958 /nfs/dbraw/zinc/40/59/58/329405958.db2.gz VEPDCUWRCMIELH-SOFGYWHQSA-N 0 0 298.342 3.107 20 10 CGCDRN Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527804722 330284404 /nfs/dbraw/zinc/28/44/04/330284404.db2.gz ABDRFGSFCXCIFB-CYBMUJFWSA-N 0 0 294.826 3.152 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(F)cc1[O-] ZINC000528001685 330300139 /nfs/dbraw/zinc/30/01/39/330300139.db2.gz MQMJRSFNTDELAS-WFASDCNBSA-N 0 0 292.398 3.199 20 10 CGCDRN CC[C@@H]([NH2+]CC1COC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000528032237 330305370 /nfs/dbraw/zinc/30/53/70/330305370.db2.gz YHOADCOUJISOCN-GFCCVEGCSA-N 0 0 290.190 3.386 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152951204 330637971 /nfs/dbraw/zinc/63/79/71/330637971.db2.gz VLJSDEKSJDYSRR-JLLWLGSASA-N 0 0 288.174 3.109 20 10 CGCDRN 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/nfs/dbraw/zinc/28/51/83/619285183.db2.gz YRRPDONLFIWESK-BBBLOLIVSA-N 0 0 287.762 3.088 20 10 CGCDRN CN(C)C1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000096543743 619295757 /nfs/dbraw/zinc/29/57/57/619295757.db2.gz MJOXXNMMURSHON-UHFFFAOYSA-N 0 0 282.815 3.010 20 10 CGCDRN O=[N+]([O-])c1cccc2c(NCc3ccccc3O)ccnc21 ZINC000319342349 619296610 /nfs/dbraw/zinc/29/66/10/619296610.db2.gz UCGFAXXNKGAXNZ-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CCCO1 ZINC000186181852 625734455 /nfs/dbraw/zinc/73/44/55/625734455.db2.gz RNENWFHOEHYREA-VZJVUDMVSA-N 0 0 267.344 3.140 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000877662222 619414450 /nfs/dbraw/zinc/41/44/50/619414450.db2.gz OBWAXGBMNIUZBP-SECBINFHSA-N 0 0 289.803 3.418 20 10 CGCDRN CN(C)c1ccccc1NC(=O)N(C)Cc1ccccc1O ZINC000047486709 619417706 /nfs/dbraw/zinc/41/77/06/619417706.db2.gz OQICIIUDTLUQJO-UHFFFAOYSA-N 0 0 299.374 3.122 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)ccnc2N)cc1Cl ZINC000894429264 619532470 /nfs/dbraw/zinc/53/24/70/619532470.db2.gz BBXKKZZZABYYHW-UHFFFAOYSA-N 0 0 291.782 3.271 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)CCC(C)C)c1[O-] ZINC000048923466 619660483 /nfs/dbraw/zinc/66/04/83/619660483.db2.gz JXRDZJBSKTULDZ-UHFFFAOYSA-N 0 0 267.344 3.212 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)C2CCCC2)c1 ZINC000749529724 619737892 /nfs/dbraw/zinc/73/78/92/619737892.db2.gz AADSUNKZPLIFKZ-NWDGAFQWSA-N 0 0 291.391 3.404 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CC[C@H]2C(F)F)cc1 ZINC000895430605 619825150 /nfs/dbraw/zinc/82/51/50/619825150.db2.gz HARPCENGUJNKGT-NQHOJNORSA-N 0 0 266.335 3.105 20 10 CGCDRN CC(C)[C@H](C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895702302 619872998 /nfs/dbraw/zinc/87/29/98/619872998.db2.gz MPYUIOWNUMRZEV-VIFPVBQESA-N 0 0 293.388 3.429 20 10 CGCDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)C1CC(F)(F)C1 ZINC000896644932 620040254 /nfs/dbraw/zinc/04/02/54/620040254.db2.gz ZNFCYMHYLBPRCX-QMMMGPOBSA-N 0 0 259.271 3.055 20 10 CGCDRN CC[C@H]([NH2+]CC(CC)(CC)CO)c1ccc(F)cc1[O-] ZINC000796849879 620160554 /nfs/dbraw/zinc/16/05/54/620160554.db2.gz XMJNLPNWLOADGO-AWEZNQCLSA-N 0 0 283.387 3.371 20 10 CGCDRN Cc1nc2ccccn2c1CN(C)c1ccc2c(c1)OCO2 ZINC000121296903 620176200 /nfs/dbraw/zinc/17/62/00/620176200.db2.gz SXVBPPOLBHMBKW-UHFFFAOYSA-N 0 0 295.342 3.008 20 10 CGCDRN Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccccc1O ZINC000185638740 625402585 /nfs/dbraw/zinc/40/25/85/625402585.db2.gz XLZGGMDSWHQMOF-UHFFFAOYSA-N 0 0 295.386 3.304 20 10 CGCDRN CC(C)=CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897547100 620393257 /nfs/dbraw/zinc/39/32/57/620393257.db2.gz LVGIBOLMOSNOHU-UHFFFAOYSA-N 0 0 291.372 3.399 20 10 CGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1 ZINC000148640722 620404548 /nfs/dbraw/zinc/40/45/48/620404548.db2.gz JZCVTTRCAJLABO-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc([C@H](C)CC(N)=O)cc2)c1 ZINC000897836581 620437147 /nfs/dbraw/zinc/43/71/47/620437147.db2.gz BYQHONGJUQWICP-CYBMUJFWSA-N 0 0 298.386 3.292 20 10 CGCDRN COc1cc(C)cc(CNc2cnn(C3CCC3)c2)c1O ZINC000897879687 620442519 /nfs/dbraw/zinc/44/25/19/620442519.db2.gz SDFCYUMTXATCBD-UHFFFAOYSA-N 0 0 287.363 3.243 20 10 CGCDRN Cc1ccncc1CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219356 620489584 /nfs/dbraw/zinc/48/95/84/620489584.db2.gz XPGXKPSSNKDTOI-UHFFFAOYSA-N 0 0 290.794 3.471 20 10 CGCDRN Cc1ncccc1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000898256652 620505006 /nfs/dbraw/zinc/50/50/06/620505006.db2.gz ZMWXCDALBOYILM-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN CC(C)Nc1ccccc1NCc1noc2c1COCC2 ZINC000901432280 620886579 /nfs/dbraw/zinc/88/65/79/620886579.db2.gz FMQUQDJPDHLNNX-UHFFFAOYSA-N 0 0 287.363 3.180 20 10 CGCDRN Oc1ccc2ccncc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000902653953 621393901 /nfs/dbraw/zinc/39/39/01/621393901.db2.gz VNKIAXSBFCBYJJ-OKILXGFUSA-N 0 0 268.360 3.172 20 10 CGCDRN Nc1ccc(Cc2noc(C[C@@H]3CC=CCC3)n2)cc1 ZINC000904502627 621927823 /nfs/dbraw/zinc/92/78/23/621927823.db2.gz ARGUTLTWICOXIF-GFCCVEGCSA-N 0 0 269.348 3.141 20 10 CGCDRN CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910951567 622510241 /nfs/dbraw/zinc/51/02/41/622510241.db2.gz UEQSFFIBJUCJPI-KRWDZBQOSA-N 0 0 299.370 3.154 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC=CC12CCCCC2 ZINC000912473660 622662399 /nfs/dbraw/zinc/66/23/99/622662399.db2.gz IOGYJEJMTYICLP-VURMDHGXSA-N 0 0 299.370 3.212 20 10 CGCDRN CCCN(Cc1cc(C)cc(OC)c1O)CC(F)F ZINC000164238424 622822111 /nfs/dbraw/zinc/82/21/11/622822111.db2.gz UPIACRPVQGPBKQ-UHFFFAOYSA-N 0 0 273.323 3.186 20 10 CGCDRN CN1C(=O)/C(=C/c2ccc(F)c(Cl)c2)SC1=S ZINC000157379585 622899345 /nfs/dbraw/zinc/89/93/45/622899345.db2.gz PFRRMURJIYJZLK-UITAMQMPSA-N 0 0 287.768 3.310 20 10 CGCDRN COC(=O)Nc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000226580750 622983526 /nfs/dbraw/zinc/98/35/26/622983526.db2.gz KBXWKRRVOMDEJM-UHFFFAOYSA-N 0 0 290.294 3.322 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(F)cc1[O-] ZINC000157987418 622989762 /nfs/dbraw/zinc/98/97/62/622989762.db2.gz QUMPBTJRGPITEU-ZYHUDNBSSA-N 0 0 269.385 3.468 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(Br)nc1 ZINC000226665163 622993888 /nfs/dbraw/zinc/99/38/88/622993888.db2.gz HEZKCOOBINYHLK-UHFFFAOYSA-N 0 0 297.127 3.301 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCc3cccc(C)c32)s1 ZINC000171991647 623206714 /nfs/dbraw/zinc/20/67/14/623206714.db2.gz KJKNJTPVXPPDTI-VOTSOKGWSA-N 0 0 284.384 3.362 20 10 CGCDRN Cc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000062748431 623268744 /nfs/dbraw/zinc/26/87/44/623268744.db2.gz PBNNUDWUYDSLFC-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN CC[C@@H]1COCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000151910933 623584094 /nfs/dbraw/zinc/58/40/94/623584094.db2.gz ORKNQOKPWRKYGD-CQSZACIVSA-N 0 0 293.407 3.006 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC000763166333 623866025 /nfs/dbraw/zinc/86/60/25/623866025.db2.gz LFUSZXXOWFYNJC-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CCCn1cc(N[C@@H](C)c2ccc(F)cc2O)cn1 ZINC000186339813 625790953 /nfs/dbraw/zinc/79/09/53/625790953.db2.gz ZAIMYXZEQIBGMF-JTQLQIEISA-N 0 0 263.316 3.311 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)Cc2ccccc21 ZINC000915839742 624040855 /nfs/dbraw/zinc/04/08/55/624040855.db2.gz MOZPGDOJNBGCDM-GFCCVEGCSA-N 0 0 297.354 3.240 20 10 CGCDRN CCN1C(=O)/C(=C/c2c(F)cccc2F)SC1=S ZINC000915839340 624040894 /nfs/dbraw/zinc/04/08/94/624040894.db2.gz YYWPABGDCAJKPI-POHAHGRESA-N 0 0 285.340 3.186 20 10 CGCDRN COC(=O)c1cnc(SCCCC(C)(F)F)s1 ZINC000917777955 624311075 /nfs/dbraw/zinc/31/10/75/624311075.db2.gz MIHBZLTYQSNFMW-UHFFFAOYSA-N 0 0 281.349 3.457 20 10 CGCDRN CCC1(NC(=O)NCCCSc2nccs2)CCC1 ZINC000154591128 624324933 /nfs/dbraw/zinc/32/49/33/624324933.db2.gz IZQFRASICZHSMY-UHFFFAOYSA-N 0 0 299.465 3.257 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccn1)c1ccc(Cl)cc1 ZINC000918152191 624337806 /nfs/dbraw/zinc/33/78/06/624337806.db2.gz HVYIWCHBTWCYFV-YVMONPNESA-N 0 0 287.750 3.196 20 10 CGCDRN COc1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1 ZINC000920418836 624492667 /nfs/dbraw/zinc/49/26/67/624492667.db2.gz QLGUMXGFJZNLNL-UHFFFAOYSA-N 0 0 287.359 3.349 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cscc2C)c1 ZINC000175263612 624624571 /nfs/dbraw/zinc/62/45/71/624624571.db2.gz BUUNEOUMEWNKLI-SNVBAGLBSA-N 0 0 291.372 3.262 20 10 CGCDRN Nc1ccc(CC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000238071792 624728615 /nfs/dbraw/zinc/72/86/15/624728615.db2.gz BKOATFHJXNPICO-UHFFFAOYSA-N 0 0 298.430 3.144 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180734593 624769968 /nfs/dbraw/zinc/76/99/68/624769968.db2.gz PCTFMEQIFNOMCR-UXBLZVDNSA-N 0 0 283.327 3.082 20 10 CGCDRN c1csc(SCCCOc2ccc3c(c2)OCO3)n1 ZINC000069310811 624829331 /nfs/dbraw/zinc/82/93/31/624829331.db2.gz SSINFDNFGUJVMY-UHFFFAOYSA-N 0 0 295.385 3.433 20 10 CGCDRN COc1cccc(CNCc2csc(C3CC3)n2)c1O ZINC000069876643 624914766 /nfs/dbraw/zinc/91/47/66/624914766.db2.gz KWLQTQKEUMNTAX-UHFFFAOYSA-N 0 0 290.388 3.025 20 10 CGCDRN Cc1ccnc(CNC(=S)Nc2cccc(C)c2C)c1 ZINC000242911691 624968092 /nfs/dbraw/zinc/96/80/92/624968092.db2.gz GTPJRSVDEAQULP-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccc(CO)cc2)c(O)c1 ZINC000227458860 625028860 /nfs/dbraw/zinc/02/88/60/625028860.db2.gz MAJWADMOMLFDAS-ZDUSSCGKSA-N 0 0 271.360 3.044 20 10 CGCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182830152 625031568 /nfs/dbraw/zinc/03/15/68/625031568.db2.gz IDWPIJHXVRQENA-SMDDNHRTSA-N 0 0 291.391 3.447 20 10 CGCDRN COc1cccc(CN2CCc3c2cccc3F)c1O ZINC000184426500 625235653 /nfs/dbraw/zinc/23/56/53/625235653.db2.gz WZHMLMSTFFMXMA-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(CC3CC3)c2)c1 ZINC000186358131 625794821 /nfs/dbraw/zinc/79/48/21/625794821.db2.gz IUWWISSNNHRMJC-GFCCVEGCSA-N 0 0 271.364 3.480 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756355584 625898661 /nfs/dbraw/zinc/89/86/61/625898661.db2.gz SSCHYYUAUGKOOA-GFCCVEGCSA-N 0 0 286.331 3.194 20 10 CGCDRN CCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000073743964 626040002 /nfs/dbraw/zinc/04/00/02/626040002.db2.gz RTCZQHBEVBMURN-UHFFFAOYSA-N 0 0 285.391 3.409 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCc1ccon1 ZINC000074015088 626080444 /nfs/dbraw/zinc/08/04/44/626080444.db2.gz LEJQPLZMORZQKB-UHFFFAOYSA-N 0 0 271.345 3.367 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1cccs1 ZINC000124663141 634478558 /nfs/dbraw/zinc/47/85/58/634478558.db2.gz ZNEUAIXRIMJZJS-UHFFFAOYSA-N 0 0 267.781 3.439 20 10 CGCDRN CCC1(C)C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839142217 626323211 /nfs/dbraw/zinc/32/32/11/626323211.db2.gz DOPDKFZFVOWCNV-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN CC1(CC(F)(F)F)CN(Cc2cc(F)ccc2O)C1 ZINC000839144051 626323557 /nfs/dbraw/zinc/32/35/57/626323557.db2.gz FNTNSLPRBDRWGT-UHFFFAOYSA-N 0 0 277.261 3.306 20 10 CGCDRN CC(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873975918 634500953 /nfs/dbraw/zinc/50/09/53/634500953.db2.gz KBCQHSBHSMIHPB-UHFFFAOYSA-N 0 0 276.340 3.015 20 10 CGCDRN CC(C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1cccnc1 ZINC000751405779 626389250 /nfs/dbraw/zinc/38/92/50/626389250.db2.gz MBEDXFAPZDRORP-CYBMUJFWSA-N 0 0 290.388 3.018 20 10 CGCDRN C[C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873968261 634499517 /nfs/dbraw/zinc/49/95/17/634499517.db2.gz HGCBMGFPMUHSOH-GWCFXTLKSA-N 0 0 288.351 3.158 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/SC ZINC000751537292 626395243 /nfs/dbraw/zinc/39/52/43/626395243.db2.gz CLHWIKNGMYFDOL-CSKARUKUSA-N 0 0 265.378 3.008 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C(C)C)o2)c(OC)c1 ZINC000752126130 626419673 /nfs/dbraw/zinc/41/96/73/626419673.db2.gz XIFFFTBVJLWINJ-UHFFFAOYSA-N 0 0 290.363 3.452 20 10 CGCDRN CC[C@@H](C)CCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000752598573 626433865 /nfs/dbraw/zinc/43/38/65/626433865.db2.gz DABMCZGNTYSFEU-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN C[C@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO[C@H]1C1CC1 ZINC000753594860 626457610 /nfs/dbraw/zinc/45/76/10/626457610.db2.gz IDLSUJDMZVRHKJ-GJZGRUSLSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H]([NH2+]Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756355568 626694996 /nfs/dbraw/zinc/69/49/96/626694996.db2.gz RHTORFBLVORFSQ-NSHDSACASA-N 0 0 272.304 3.151 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756355567 626695139 /nfs/dbraw/zinc/69/51/39/626695139.db2.gz RHTORFBLVORFSQ-LLVKDONJSA-N 0 0 272.304 3.151 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CCCC2)c1 ZINC000756455724 626707199 /nfs/dbraw/zinc/70/71/99/626707199.db2.gz AYLYWLLHAVMMOK-NSHDSACASA-N 0 0 277.364 3.020 20 10 CGCDRN C[C@@H]([NH2+]CC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756462759 626707835 /nfs/dbraw/zinc/70/78/35/626707835.db2.gz ZSZVELLGOGPXEJ-SNVBAGLBSA-N 0 0 264.325 3.141 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000756476385 626708288 /nfs/dbraw/zinc/70/82/88/626708288.db2.gz UEPVSQXZTNXGAL-CHWSQXEVSA-N 0 0 289.375 3.186 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(CO)c1)c1cc(F)cc(F)c1[O-] ZINC000756550986 626714042 /nfs/dbraw/zinc/71/40/42/626714042.db2.gz VKELJPIYDFSPPM-JTQLQIEISA-N 0 0 293.313 3.014 20 10 CGCDRN CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592937 626719015 /nfs/dbraw/zinc/71/90/15/626719015.db2.gz KCXJCQRWMOTPJD-QWRGUYRKSA-N 0 0 266.341 3.243 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756619731 626721060 /nfs/dbraw/zinc/72/10/60/626721060.db2.gz XYLIJSOTJYPPCJ-WDEREUQCSA-N 0 0 287.350 3.120 20 10 CGCDRN COc1ccc(CCN(C)c2ccc3c(c2)OCO3)cc1 ZINC000756654115 626724769 /nfs/dbraw/zinc/72/47/69/626724769.db2.gz FJNDGVXNESPTKH-UHFFFAOYSA-N 0 0 285.343 3.103 20 10 CGCDRN CCC1(O)CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756662627 626725138 /nfs/dbraw/zinc/72/51/38/626725138.db2.gz DYDISKQQUMBXFC-LWOUBBNUSA-N 0 0 299.361 3.405 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000756706363 626727272 /nfs/dbraw/zinc/72/72/72/626727272.db2.gz MNCGUBUYSSNDGJ-YRGRVCCFSA-N 0 0 291.391 3.408 20 10 CGCDRN CS[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756770370 626730752 /nfs/dbraw/zinc/73/07/52/626730752.db2.gz UTDCGEIHHUAWIY-SFYZADRCSA-N 0 0 261.337 3.073 20 10 CGCDRN C[C@@H](Nc1cnn(-c2ccccn2)c1)c1cc(F)ccc1O ZINC000756855342 626737911 /nfs/dbraw/zinc/73/79/11/626737911.db2.gz FANSDIBXGNZZAR-LLVKDONJSA-N 0 0 298.321 3.285 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756850791 626738007 /nfs/dbraw/zinc/73/80/07/626738007.db2.gz NUVFBVABCRQIRU-IUCAKERBSA-N 0 0 286.278 3.139 20 10 CGCDRN CCC[C@@H](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103528945 626778557 /nfs/dbraw/zinc/77/85/57/626778557.db2.gz TYUIJHQFQPYFDS-NEPJUHHUSA-N 0 0 279.380 3.404 20 10 CGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000839789583 626789222 /nfs/dbraw/zinc/78/92/22/626789222.db2.gz ZWHLZNPEDBIJLP-NSHDSACASA-N 0 0 253.367 3.152 20 10 CGCDRN CC1(CC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000757835399 626809216 /nfs/dbraw/zinc/80/92/16/626809216.db2.gz CBFJDOSADAKCSU-UHFFFAOYSA-N 0 0 272.392 3.093 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CC2(C)CC2)cc1F ZINC000757935926 626815491 /nfs/dbraw/zinc/81/54/91/626815491.db2.gz LNCZQUJHSUYSEO-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN CCC[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000758312420 626837134 /nfs/dbraw/zinc/83/71/34/626837134.db2.gz IYHNLTICNMSNQY-JTQLQIEISA-N 0 0 253.367 3.106 20 10 CGCDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)C2=CC(=O)CS2)C1 ZINC000758695753 626854889 /nfs/dbraw/zinc/85/48/89/626854889.db2.gz OSVQJLYWDLSZNS-GWCFXTLKSA-N 0 0 288.372 3.072 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC23CCCC3)c1 ZINC000760040386 626937297 /nfs/dbraw/zinc/93/72/97/626937297.db2.gz JWIWISKFOIYEGQ-IAQYHMDHSA-N 0 0 289.375 3.162 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2O)cc1OC ZINC000761223227 627026868 /nfs/dbraw/zinc/02/68/68/627026868.db2.gz XUWGZKQWVRLGJO-UHFFFAOYSA-N 0 0 273.332 3.046 20 10 CGCDRN CCOc1ccc(N(CC)C[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763721311 627174643 /nfs/dbraw/zinc/17/46/43/627174643.db2.gz DVNWROCGQGPYSA-OAHLLOKOSA-N 0 0 289.375 3.007 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763790504 627178244 /nfs/dbraw/zinc/17/82/44/627178244.db2.gz SNZKVLPKBLQCEV-OAHLLOKOSA-N 0 0 289.375 3.006 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCC(C)(C)C2)cc1 ZINC000768392811 627478253 /nfs/dbraw/zinc/47/82/53/627478253.db2.gz ZNUZJKHXYYLMMZ-AWEZNQCLSA-N 0 0 289.423 3.131 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)C ZINC000768936437 627510202 /nfs/dbraw/zinc/51/02/02/627510202.db2.gz DDPATAXFOMNWIL-UHFFFAOYSA-N 0 0 286.759 3.432 20 10 CGCDRN C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000769362308 627545469 /nfs/dbraw/zinc/54/54/69/627545469.db2.gz HNHSCGDPJRNJBJ-BENRWUELSA-N 0 0 285.318 3.251 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2cn[nH]c2)cc1F ZINC000769424045 627551081 /nfs/dbraw/zinc/55/10/81/627551081.db2.gz JPYAGXQRIQGTRQ-UHFFFAOYSA-N 0 0 290.386 3.027 20 10 CGCDRN C[C@@H](Nc1cnn(C)c1C1CC1)c1cc(F)ccc1O ZINC000769989221 627595973 /nfs/dbraw/zinc/59/59/73/627595973.db2.gz NLCKVDSGLYBTTQ-SECBINFHSA-N 0 0 275.327 3.315 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000769990664 627596054 /nfs/dbraw/zinc/59/60/54/627596054.db2.gz VVJYNLWLVMLXEA-OQPBUACISA-N 0 0 299.342 3.116 20 10 CGCDRN CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccccc1O ZINC000770505352 627623435 /nfs/dbraw/zinc/62/34/35/627623435.db2.gz QTZSTSHYFGQHHR-JKSUJKDBSA-N 0 0 277.408 3.418 20 10 CGCDRN CCC1(CC)[C@H]([N@H+](C)Cc2ccccc2O)C[C@@H]1OC ZINC000770505347 627623788 /nfs/dbraw/zinc/62/37/88/627623788.db2.gz QTZSTSHYFGQHHR-CVEARBPZSA-N 0 0 277.408 3.418 20 10 CGCDRN COC(=O)c1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772295484 627782332 /nfs/dbraw/zinc/78/23/32/627782332.db2.gz GPLAMDROYLAVQN-LBPRGKRZSA-N 0 0 299.374 3.107 20 10 CGCDRN COc1nc(C)cc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772299602 627782641 /nfs/dbraw/zinc/78/26/41/627782641.db2.gz WBPPULVUYAGDIK-LBPRGKRZSA-N 0 0 286.379 3.033 20 10 CGCDRN C/C(=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000773008981 627841414 /nfs/dbraw/zinc/84/14/14/627841414.db2.gz IWNSWQMBJRLPAS-YLSINNKHSA-N 0 0 272.392 3.286 20 10 CGCDRN C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(N(C)C)cc1 ZINC000773015989 627842730 /nfs/dbraw/zinc/84/27/30/627842730.db2.gz RTTGMUYELHXNNN-OCHBPSSRSA-N 0 0 284.359 3.236 20 10 CGCDRN C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000773020476 627843937 /nfs/dbraw/zinc/84/39/37/627843937.db2.gz VIGXZEUFCGUAOG-KKBVYLPWSA-N 0 0 286.419 3.366 20 10 CGCDRN CCC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773364660 627875976 /nfs/dbraw/zinc/87/59/76/627875976.db2.gz QLVRCNNGHLDSSP-ZDUSSCGKSA-N 0 0 289.423 3.303 20 10 CGCDRN C[C@@H](NC(=O)N[C@H](C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000773412504 627880978 /nfs/dbraw/zinc/88/09/78/627880978.db2.gz CNROIAXCYXACTM-CHWSQXEVSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@@H](NC(=O)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773611695 627899821 /nfs/dbraw/zinc/89/98/21/627899821.db2.gz JCVAJJMZUKBHJY-ZIAGYGMSSA-N 0 0 289.423 3.255 20 10 CGCDRN CC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773612392 627899963 /nfs/dbraw/zinc/89/99/63/627899963.db2.gz MIONRZYRYVBERG-DZGCQCFKSA-N 0 0 289.423 3.398 20 10 CGCDRN CCC(CC)[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773763351 627913279 /nfs/dbraw/zinc/91/32/79/627913279.db2.gz UIVVTCRTPPTMAU-NEPJUHHUSA-N 0 0 293.407 3.217 20 10 CGCDRN C/C(=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)(C)C ZINC000773762825 627913374 /nfs/dbraw/zinc/91/33/74/627913374.db2.gz LDUBDKKWUXNVHS-KGTBHZDVSA-N 0 0 291.391 3.137 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774170409 627955785 /nfs/dbraw/zinc/95/57/85/627955785.db2.gz DCDURXOYRNQPOD-SSDOTTSWSA-N 0 0 286.162 3.273 20 10 CGCDRN Oc1ccccc1CNc1ncncc1-c1ccccc1 ZINC000774683276 628014680 /nfs/dbraw/zinc/01/46/80/628014680.db2.gz HWUXSWMDMLBTSQ-UHFFFAOYSA-N 0 0 277.327 3.461 20 10 CGCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000775177045 628068675 /nfs/dbraw/zinc/06/86/75/628068675.db2.gz OJEXZJLWQJHPSE-HNNXBMFYSA-N 0 0 283.799 3.173 20 10 CGCDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1O ZINC000775407318 628091789 /nfs/dbraw/zinc/09/17/89/628091789.db2.gz SBSFBSVKLRHTOX-ZDUSSCGKSA-N 0 0 298.386 3.258 20 10 CGCDRN C[C@@H](NC(=O)CCCn1cccc1)c1ccc(N(C)C)cc1 ZINC000775405258 628091886 /nfs/dbraw/zinc/09/18/86/628091886.db2.gz SAVWHDQJZRFNQI-OAHLLOKOSA-N 0 0 299.418 3.212 20 10 CGCDRN Cc1cccc(CNc2ccc(-n3ccnc3)cc2)c1O ZINC000775747143 628132858 /nfs/dbraw/zinc/13/28/58/628132858.db2.gz TUWNDSOOOICYDK-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN COc1ccc(NCc2cc(Cl)cc(F)c2O)nc1 ZINC000776251465 628184371 /nfs/dbraw/zinc/18/43/71/628184371.db2.gz ZIPBZIAZFZAQDZ-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776250293 628184479 /nfs/dbraw/zinc/18/44/79/628184479.db2.gz UBVLSQREZMXDPO-STQMWFEESA-N 0 0 277.412 3.254 20 10 CGCDRN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC(=O)CS1 ZINC000776266943 628187016 /nfs/dbraw/zinc/18/70/16/628187016.db2.gz YBLVWZGZWJSQLJ-CBAPKCEASA-N 0 0 293.310 3.257 20 10 CGCDRN COc1cccc(CN2C[C@@H](C)Oc3ccc(C)cc32)c1O ZINC000776524854 628217175 /nfs/dbraw/zinc/21/71/75/628217175.db2.gz JMCHFEGMLKYGAZ-CYBMUJFWSA-N 0 0 299.370 3.497 20 10 CGCDRN O=C1N[C@H](c2cccc(F)c2O)Nc2ccc(Cl)cc21 ZINC000778524435 628354131 /nfs/dbraw/zinc/35/41/31/628354131.db2.gz IOSIIHGDHICJBD-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(F)cc(F)c1[O-] ZINC000779079098 628387321 /nfs/dbraw/zinc/38/73/21/628387321.db2.gz LTKQPUPROFKNOF-MWLCHTKSSA-N 0 0 285.334 3.279 20 10 CGCDRN CCc1nc(C)c(NC(=O)C2=CC(=O)CS2)s1 ZINC000779482282 628415645 /nfs/dbraw/zinc/41/56/45/628415645.db2.gz HZCVHOUTYDOKFX-UHFFFAOYSA-N 0 0 268.363 3.033 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(C)cc1 ZINC000779496867 628415575 /nfs/dbraw/zinc/41/55/75/628415575.db2.gz COSKJFPSFOGIQF-XFFZJAGNSA-N 0 0 297.354 3.473 20 10 CGCDRN Cc1cccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779498567 628415579 /nfs/dbraw/zinc/41/55/79/628415579.db2.gz JIUGJOAQBLZOQU-VQHVLOKHSA-N 0 0 297.354 3.078 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779495725 628415603 /nfs/dbraw/zinc/41/56/03/628415603.db2.gz IDEQTSWEWFPZPT-CWCIKPCXSA-N 0 0 289.375 3.196 20 10 CGCDRN Cc1cccc2ncc(CN(C)c3ccc4c(c3)OCO4)n21 ZINC000780778192 628516125 /nfs/dbraw/zinc/51/61/25/628516125.db2.gz FQHYQLWJQYMDPH-UHFFFAOYSA-N 0 0 295.342 3.008 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2OC)cc1F ZINC000780779547 628516636 /nfs/dbraw/zinc/51/66/36/628516636.db2.gz LFEDXLUETDLJOC-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCO[C@@H](C)C2)cc1F ZINC000780779613 628516805 /nfs/dbraw/zinc/51/68/05/628516805.db2.gz PICVDYDJYGFLNW-NWDGAFQWSA-N 0 0 267.344 3.086 20 10 CGCDRN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)C1=CC(=O)CS1 ZINC000780813875 628519437 /nfs/dbraw/zinc/51/94/37/628519437.db2.gz NNBBLVDEFVDHOU-YUMQZZPRSA-N 0 0 293.310 3.257 20 10 CGCDRN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000780889628 628522268 /nfs/dbraw/zinc/52/22/68/628522268.db2.gz RDLJQMRQIAIRSZ-WCQYABFASA-N 0 0 277.364 3.105 20 10 CGCDRN Cc1ccc(C(=O)Nc2nc(C(C)C)cs2)c(O)c1O ZINC000780905477 628523304 /nfs/dbraw/zinc/52/33/04/628523304.db2.gz QIHMWQTZRCEKAU-UHFFFAOYSA-N 0 0 292.360 3.238 20 10 CGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(O)c1O)CC2 ZINC000780932685 628525307 /nfs/dbraw/zinc/52/53/07/628525307.db2.gz CPHFDCCSFMMDJR-HNNXBMFYSA-N 0 0 297.354 3.132 20 10 CGCDRN Cc1cccc([C@H](C)CNC(=O)c2ccc(C)c(O)c2O)c1 ZINC000780953099 628526142 /nfs/dbraw/zinc/52/61/42/628526142.db2.gz FKJZNGIZRJYTEB-CYBMUJFWSA-N 0 0 299.370 3.248 20 10 CGCDRN CC/C(C)=C(\C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000780984720 628528537 /nfs/dbraw/zinc/52/85/37/628528537.db2.gz MVGIFHULVSCZID-HCRIHEDKSA-N 0 0 277.364 3.324 20 10 CGCDRN Cc1nn(-c2ccccc2)cc1NC(=O)C1=CC(=O)CS1 ZINC000781437381 628560040 /nfs/dbraw/zinc/56/00/40/628560040.db2.gz UUFBCXFGKYDGDD-UHFFFAOYSA-N 0 0 299.355 3.200 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C2CC2)c1 ZINC000781897177 628599320 /nfs/dbraw/zinc/59/93/20/628599320.db2.gz PFCWCEMQTINMSP-UHFFFAOYSA-N 0 0 270.170 3.057 20 10 CGCDRN CC[C@@H]1CCCCCN1C(=O)Nc1ccc(N)cc1 ZINC000125274939 634673618 /nfs/dbraw/zinc/67/36/18/634673618.db2.gz SFTBNXJEZXTENO-CQSZACIVSA-N 0 0 261.369 3.455 20 10 CGCDRN Cc1ccc(C(=O)OCCCc2ccsc2)c(O)c1O ZINC000783141104 628680178 /nfs/dbraw/zinc/68/01/78/628680178.db2.gz HVQQBHSSJJZSJW-UHFFFAOYSA-N 0 0 292.356 3.257 20 10 CGCDRN C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccccc1O ZINC000783532842 628722668 /nfs/dbraw/zinc/72/26/68/628722668.db2.gz WMBZJTFVVKZQNR-OCCSQVGLSA-N 0 0 296.370 3.169 20 10 CGCDRN CCOc1cccc(CSc2nccs2)n1 ZINC000783894619 628755949 /nfs/dbraw/zinc/75/59/49/628755949.db2.gz JLXCEGBRWGDOMU-UHFFFAOYSA-N 0 0 252.364 3.229 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1 ZINC000783953988 628759739 /nfs/dbraw/zinc/75/97/39/628759739.db2.gz MYOAZKCDVKDEEK-TWGQIWQCSA-N 0 0 266.344 3.375 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(C)C)c1 ZINC000784440819 628813763 /nfs/dbraw/zinc/81/37/63/628813763.db2.gz CZCWSSSMPHRTJA-NSHDSACASA-N 0 0 279.380 3.260 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(C)C)c1 ZINC000784440818 628813940 /nfs/dbraw/zinc/81/39/40/628813940.db2.gz CZCWSSSMPHRTJA-LLVKDONJSA-N 0 0 279.380 3.260 20 10 CGCDRN Cc1cc(F)ccc1COC(=O)C1=CC(=O)CS1 ZINC000785316782 628857953 /nfs/dbraw/zinc/85/79/53/628857953.db2.gz OLBHDAYGLCXKDR-UHFFFAOYSA-N 0 0 266.293 3.258 20 10 CGCDRN C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)CC1 ZINC000785864386 628892340 /nfs/dbraw/zinc/89/23/40/628892340.db2.gz KTUBGUJYYQPNTB-GXTWGEPZSA-N 0 0 276.380 3.160 20 10 CGCDRN CC1(C)CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000785995181 628905950 /nfs/dbraw/zinc/90/59/50/628905950.db2.gz RGECXGHYQGRTHD-VIFPVBQESA-N 0 0 253.367 3.152 20 10 CGCDRN CC(=O)[C@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000786600639 628950399 /nfs/dbraw/zinc/95/03/99/628950399.db2.gz KFWVBIMJMYSOCD-AWEZNQCLSA-N 0 0 285.343 3.228 20 10 CGCDRN CC[C@H](NCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000786836760 628966679 /nfs/dbraw/zinc/96/66/79/628966679.db2.gz ONFWEROWWRUBNM-LBPRGKRZSA-N 0 0 278.293 3.322 20 10 CGCDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000787332373 629009267 /nfs/dbraw/zinc/00/92/67/629009267.db2.gz JLOKVYQTQFPCES-UHFFFAOYSA-N 0 0 283.799 3.340 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)C2CCCCC2)cc1OC ZINC000789311391 629123378 /nfs/dbraw/zinc/12/33/78/629123378.db2.gz KTCXRWSFRNZMPH-OAHLLOKOSA-N 0 0 293.407 3.081 20 10 CGCDRN CSC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000789751381 629166286 /nfs/dbraw/zinc/16/62/86/629166286.db2.gz BVFCTQOLIGSMND-UHFFFAOYSA-N 0 0 275.776 3.170 20 10 CGCDRN Cc1ccc(CCCNC(=O)c2cccc(O)c2O)c(C)c1 ZINC000790482238 629213088 /nfs/dbraw/zinc/21/30/88/629213088.db2.gz IZCYCVZOCWAIRP-UHFFFAOYSA-N 0 0 299.370 3.077 20 10 CGCDRN CSCC[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790967870 629241654 /nfs/dbraw/zinc/24/16/54/629241654.db2.gz AESXIKWMXAVQOV-MRVPVSSYSA-N 0 0 277.792 3.416 20 10 CGCDRN CCc1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)on1 ZINC000790970755 629244317 /nfs/dbraw/zinc/24/43/17/629244317.db2.gz FERYYVNXXKVJAS-UHFFFAOYSA-N 0 0 284.718 3.025 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC000790972023 629244669 /nfs/dbraw/zinc/24/46/69/629244669.db2.gz BQIKKOJADRSJRZ-NWDGAFQWSA-N 0 0 287.762 3.088 20 10 CGCDRN CC[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792169595 629343324 /nfs/dbraw/zinc/34/33/24/629343324.db2.gz MDIIODVVNFVNTC-VIFPVBQESA-N 0 0 257.736 3.417 20 10 CGCDRN Oc1ccc(Cl)cc1Cn1cnc2c1CCCC2 ZINC000862431882 629371536 /nfs/dbraw/zinc/37/15/36/629371536.db2.gz UTRNFJUFRXZIAD-UHFFFAOYSA-N 0 0 262.740 3.169 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCc3cc(F)ccc32)c1 ZINC000862753874 629429196 /nfs/dbraw/zinc/42/91/96/629429196.db2.gz JWORMJODSZCKPQ-INIZCTEOSA-N 0 0 299.345 3.186 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862760008 629431843 /nfs/dbraw/zinc/43/18/43/629431843.db2.gz OZSNAXONXZNKBE-UHFFFAOYSA-N 0 0 283.371 3.258 20 10 CGCDRN CCN(CC)[C@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000793239987 629434924 /nfs/dbraw/zinc/43/49/24/629434924.db2.gz RGAYKGSXVYLZLX-SNVBAGLBSA-N 0 0 288.794 3.005 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)C2)c(O)c1O ZINC000794344731 629534892 /nfs/dbraw/zinc/53/48/92/629534892.db2.gz DTNIIGCFGSZOOK-LBPRGKRZSA-N 0 0 291.391 3.305 20 10 CGCDRN CN(CCCc1cccc(F)c1)c1ccc(N)cc1 ZINC000863558309 629604969 /nfs/dbraw/zinc/60/49/69/629604969.db2.gz FBOHKBGOBJLREV-UHFFFAOYSA-N 0 0 258.340 3.477 20 10 CGCDRN C[C@@H]1CCCC[C@H]1OCCN(C)c1ccc(N)cc1 ZINC000863557989 629605392 /nfs/dbraw/zinc/60/53/92/629605392.db2.gz YWIWSBLLSSQBCW-CZUORRHYSA-N 0 0 262.397 3.300 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000795269463 629654379 /nfs/dbraw/zinc/65/43/79/629654379.db2.gz DSGGANOTTFRIGX-WCQYABFASA-N 0 0 296.361 3.365 20 10 CGCDRN CCc1csc(NCc2ccc(OC)cc2O)n1 ZINC000795291723 629657475 /nfs/dbraw/zinc/65/74/75/629657475.db2.gz ATNFNEKIOHGQAN-UHFFFAOYSA-N 0 0 264.350 3.032 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000863906799 629693025 /nfs/dbraw/zinc/69/30/25/629693025.db2.gz XEZFATHJMSTFHX-APHBMKBZSA-N 0 0 298.386 3.327 20 10 CGCDRN CC/C=C/CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836405515 634757549 /nfs/dbraw/zinc/75/75/49/634757549.db2.gz HBCULEVJEPXGHW-YBJDMEARSA-N 0 0 275.396 3.079 20 10 CGCDRN CCOc1ccc(N(CC2CC2)CC2(C)COC2)cc1 ZINC000864032382 629732078 /nfs/dbraw/zinc/73/20/78/629732078.db2.gz CUVFPAGKKXPUHW-UHFFFAOYSA-N 0 0 275.392 3.338 20 10 CGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)cc(Cl)n1 ZINC000125702832 634763585 /nfs/dbraw/zinc/76/35/85/634763585.db2.gz UDXJEUQNJSKHEN-UHFFFAOYSA-N 0 0 290.750 3.021 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(F)c([C@H](C)O)c1 ZINC000796521559 629794170 /nfs/dbraw/zinc/79/41/70/629794170.db2.gz JZBIZAMOZJCWEO-JTQLQIEISA-N 0 0 291.322 3.205 20 10 CGCDRN CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000796673981 629813517 /nfs/dbraw/zinc/81/35/17/629813517.db2.gz DCEOFPAEVDNUTN-HNNXBMFYSA-N 0 0 299.349 3.420 20 10 CGCDRN CC[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(F)cc1[O-] ZINC000796835313 629844414 /nfs/dbraw/zinc/84/44/14/629844414.db2.gz KTSQWQWTMLIGFE-AWEZNQCLSA-N 0 0 281.371 3.125 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000796871203 629852192 /nfs/dbraw/zinc/85/21/92/629852192.db2.gz DUXYVCPNYFTQSR-JQWIXIFHSA-N 0 0 295.276 3.149 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)c1ccc(F)cc1[O-] ZINC000796976263 629867805 /nfs/dbraw/zinc/86/78/05/629867805.db2.gz RIJHRCBJFHDFCU-DOMZBBRYSA-N 0 0 282.403 3.302 20 10 CGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000836557814 634776053 /nfs/dbraw/zinc/77/60/53/634776053.db2.gz LAGVXQSCZWEEPR-OLZOCXBDSA-N 0 0 276.380 3.018 20 10 CGCDRN CC1=CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798090699 630021769 /nfs/dbraw/zinc/02/17/69/630021769.db2.gz YFULZNGPUVJDKX-UHFFFAOYSA-N 0 0 255.720 3.337 20 10 CGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)C(C)(C)C)s1 ZINC000865369194 630079727 /nfs/dbraw/zinc/07/97/27/630079727.db2.gz MQVRHYMOKDONOX-ZETCQYMHSA-N 0 0 287.406 3.026 20 10 CGCDRN Clc1cnc(SCOC2CCOCC2)s1 ZINC000865371465 630080759 /nfs/dbraw/zinc/08/07/59/630080759.db2.gz DPCVEZVUGSSRQD-UHFFFAOYSA-N 0 0 265.787 3.042 20 10 CGCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000799103830 630142855 /nfs/dbraw/zinc/14/28/55/630142855.db2.gz PYGTTZQYZZSSCP-HAQNSBGRSA-N 0 0 287.384 3.438 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnc(Cl)cn1 ZINC000799112134 630144015 /nfs/dbraw/zinc/14/40/15/630144015.db2.gz LHJGABKOHQLFRY-UHFFFAOYSA-N 0 0 289.766 3.091 20 10 CGCDRN CCCC[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000799862887 630235574 /nfs/dbraw/zinc/23/55/74/630235574.db2.gz INEVEEYIZQIMKL-ZDUSSCGKSA-N 0 0 262.397 3.195 20 10 CGCDRN Cc1cc(Cl)cc(CNC2(C(F)F)CC2)c1O ZINC000800542534 630291447 /nfs/dbraw/zinc/29/14/47/630291447.db2.gz JDORDJFDKMWCJV-UHFFFAOYSA-N 0 0 261.699 3.241 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cnn2c1CCCC2 ZINC000865709546 630399303 /nfs/dbraw/zinc/39/93/03/630399303.db2.gz JRWHDZPZVUHFQB-UHFFFAOYSA-N 0 0 277.755 3.191 20 10 CGCDRN CC1=C(c2ccco2)CN(C(=O)C2=CC(=O)CS2)CC1 ZINC000802662740 630403683 /nfs/dbraw/zinc/40/36/83/630403683.db2.gz YDXSTYVWGGACSO-UHFFFAOYSA-N 0 0 289.356 3.366 20 10 CGCDRN COc1cccc(CNC(=O)c2sccc2Cl)c1O ZINC000802782596 630410885 /nfs/dbraw/zinc/41/08/85/630410885.db2.gz YQNJDDBJINBZKB-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CC[C@H](CCO)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806144951 630548103 /nfs/dbraw/zinc/54/81/03/630548103.db2.gz YQOMRCIBMDLGSX-RISCZKNCSA-N 0 0 285.815 3.495 20 10 CGCDRN CC[C@H]([NH2+]CCC1CC(O)C1)c1cccc(Cl)c1[O-] ZINC000806161962 630551804 /nfs/dbraw/zinc/55/18/04/630551804.db2.gz QELGSASYOKSYIS-MGULZYLOSA-N 0 0 283.799 3.247 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000806169589 630553235 /nfs/dbraw/zinc/55/32/35/630553235.db2.gz NXGDOGSGQYIOIS-HZMBPMFUSA-N 0 0 277.364 3.018 20 10 CGCDRN CC(=O)c1cc(NC(=O)C2=CC(=O)CS2)ccc1F ZINC000807671142 630597052 /nfs/dbraw/zinc/59/70/52/630597052.db2.gz OMXRQVZIDPMKEK-UHFFFAOYSA-N 0 0 279.292 3.048 20 10 CGCDRN Cc1cc2cc(CNC(=O)C3=CC(=O)CS3)ccc2[nH]1 ZINC000807756906 630598664 /nfs/dbraw/zinc/59/86/64/630598664.db2.gz ZXACIYJPQXPZTR-UHFFFAOYSA-N 0 0 286.356 3.173 20 10 CGCDRN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1O ZINC000807886460 630604835 /nfs/dbraw/zinc/60/48/35/630604835.db2.gz RRIZWVLGZLTNAT-NEPJUHHUSA-N 0 0 291.391 3.385 20 10 CGCDRN Cn1ncc(NCc2ccccc2O)c1-c1ccccc1 ZINC000808424229 630643845 /nfs/dbraw/zinc/64/38/45/630643845.db2.gz VDLRBNIGBCSPJT-UHFFFAOYSA-N 0 0 279.343 3.405 20 10 CGCDRN COc1ccc(CN[C@@H](C2CC2)C(F)(F)F)cc1C ZINC000808438830 630645012 /nfs/dbraw/zinc/64/50/12/630645012.db2.gz OSBGIHAWDVVZEA-ZDUSSCGKSA-N 0 0 273.298 3.434 20 10 CGCDRN CCOCC(C)(C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808450935 630646417 /nfs/dbraw/zinc/64/64/17/630646417.db2.gz WVHAUDAMDNQNHS-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN CCN(C)C(=O)c1cccc(NCc2cccc(C)c2O)c1 ZINC000809726284 630794147 /nfs/dbraw/zinc/79/41/47/630794147.db2.gz LTFJUVXYGQFPQI-UHFFFAOYSA-N 0 0 298.386 3.405 20 10 CGCDRN CN1CCCN(Cc2ccccc2O)c2ccc(F)cc21 ZINC000809786203 630808939 /nfs/dbraw/zinc/80/89/39/630808939.db2.gz TUVJPJNJPWPFQT-UHFFFAOYSA-N 0 0 286.350 3.378 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000810687187 630927230 /nfs/dbraw/zinc/92/72/30/630927230.db2.gz JTSVIPQGFBUJER-JSGCOSHPSA-N 0 0 292.448 3.073 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cc(NC2CC2)ncn1 ZINC000840264078 631297025 /nfs/dbraw/zinc/29/70/25/631297025.db2.gz ODYZFXKQVPXOSS-UHFFFAOYSA-N 0 0 297.406 3.037 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NOC1CCC1 ZINC000812789450 631309755 /nfs/dbraw/zinc/30/97/55/631309755.db2.gz AAEYSYRLVZATCN-UHFFFAOYSA-N 0 0 290.388 3.370 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NCCCCF)cc1 ZINC000812876236 631328849 /nfs/dbraw/zinc/32/88/49/631328849.db2.gz AQCNTMJMJZDLCZ-UHFFFAOYSA-N 0 0 295.402 3.082 20 10 CGCDRN CCCN(CCC)c1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1 ZINC000814172435 631538725 /nfs/dbraw/zinc/53/87/25/631538725.db2.gz NFTXQSACDUDGQT-ZWKOTPCHSA-N 0 0 288.435 3.286 20 10 CGCDRN CC[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000814300701 631569397 /nfs/dbraw/zinc/56/93/97/631569397.db2.gz OZVUDDAMIKKKFH-AULYBMBSSA-N 0 0 278.352 3.359 20 10 CGCDRN CCO[C@H](C)c1nccn1Cc1ccc(N(C)C)c(C)c1 ZINC000814756195 631634456 /nfs/dbraw/zinc/63/44/56/631634456.db2.gz LAGHFBGGVZHICP-CQSZACIVSA-N 0 0 287.407 3.403 20 10 CGCDRN Cc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])[nH]n1 ZINC000815581836 631800564 /nfs/dbraw/zinc/80/05/64/631800564.db2.gz QPSUPYWZNOUXFM-SECBINFHSA-N 0 0 299.296 3.293 20 10 CGCDRN C[C@H]([NH2+]Cc1cocn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815605946 631804916 /nfs/dbraw/zinc/80/49/16/631804916.db2.gz JQFVNPMQEXWPJC-QMMMGPOBSA-N 0 0 286.253 3.250 20 10 CGCDRN CC[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])OC ZINC000815628062 631808943 /nfs/dbraw/zinc/80/89/43/631808943.db2.gz QJWSQBVUZWCLFQ-VHSXEESVSA-N 0 0 291.313 3.487 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOc1ccccc1 ZINC000816529157 632003986 /nfs/dbraw/zinc/00/39/86/632003986.db2.gz ITWKCAIGGJEGRA-UHFFFAOYSA-N 0 0 295.741 3.353 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000816529581 632004742 /nfs/dbraw/zinc/00/47/42/632004742.db2.gz YGGAMADOJPXJDD-HNNXBMFYSA-N 0 0 295.741 3.008 20 10 CGCDRN Cc1cnc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000816551531 632008384 /nfs/dbraw/zinc/00/83/84/632008384.db2.gz FHGLZMMBHBQDOT-UHFFFAOYSA-N 0 0 286.759 3.239 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000816554349 632010181 /nfs/dbraw/zinc/01/01/81/632010181.db2.gz WBHMFUHHVUNREU-ZDUSSCGKSA-N 0 0 289.778 3.335 20 10 CGCDRN Cc1sccc1CN(C)c1ccc2c(c1)OCO2 ZINC000816566070 632015264 /nfs/dbraw/zinc/01/52/64/632015264.db2.gz KQTREJDBQXAXNN-UHFFFAOYSA-N 0 0 261.346 3.422 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cc[nH]c(=O)c1 ZINC000816639222 632027870 /nfs/dbraw/zinc/02/78/70/632027870.db2.gz LINDZJVBNVTKGC-MRVPVSSYSA-N 0 0 296.729 3.136 20 10 CGCDRN CCc1nocc1CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000816652573 632038677 /nfs/dbraw/zinc/03/86/77/632038677.db2.gz NUXUMWDRXDMFKD-UHFFFAOYSA-N 0 0 291.370 3.074 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)CF)c(C)n1-c1ccccc1C ZINC000816745555 632047765 /nfs/dbraw/zinc/04/77/65/632047765.db2.gz NORJUXXPUMYFRI-LBPRGKRZSA-N 0 0 288.366 3.490 20 10 CGCDRN COc1ccc(N(C)Cc2nn(C)c(C)c2Cl)cc1F ZINC000817409871 632141565 /nfs/dbraw/zinc/14/15/65/632141565.db2.gz GRONJBFNOAYPDZ-UHFFFAOYSA-N 0 0 297.761 3.166 20 10 CGCDRN CCc1cc(NCc2c(O)cc(C)cc2Cl)nn1C ZINC000817709863 632203076 /nfs/dbraw/zinc/20/30/76/632203076.db2.gz CCCYDQLBGYUXIF-UHFFFAOYSA-N 0 0 279.771 3.262 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CO[C@H](C)C3)cc12 ZINC000817760383 632222813 /nfs/dbraw/zinc/22/28/13/632222813.db2.gz AWRLIUWABNJIGX-MFKMUULPSA-N 0 0 287.359 3.126 20 10 CGCDRN Cc1ocnc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817761852 632222819 /nfs/dbraw/zinc/22/28/19/632222819.db2.gz PVAOHKMYCCCHDA-UHFFFAOYSA-N 0 0 284.315 3.311 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CO[C@@H](C)C3)cc12 ZINC000817760382 632223455 /nfs/dbraw/zinc/22/34/55/632223455.db2.gz AWRLIUWABNJIGX-GXFFZTMASA-N 0 0 287.359 3.126 20 10 CGCDRN CCC[NH2+]CCN[C@H](CC)c1cc(Cl)ccc1O ZINC000817962213 632257736 /nfs/dbraw/zinc/25/77/36/632257736.db2.gz JDPZRMHPFWCPNH-CYBMUJFWSA-N 0 0 270.804 3.086 20 10 CGCDRN CC[NH2+][C@H](C)CN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971146 632264527 /nfs/dbraw/zinc/26/45/27/632264527.db2.gz AZJROHCCHPILLH-RKDXNWHRSA-N 0 0 291.222 3.348 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CC(=O)NCCc1ccc(N)cc1 ZINC000818545040 632332361 /nfs/dbraw/zinc/33/23/61/632332361.db2.gz CCHFJVHVCQULLL-UKRRQHHQSA-N 0 0 274.408 3.144 20 10 CGCDRN O[C@@H](CNc1ccccc1OCC1CC1)CC(F)(F)F ZINC000819450656 632462113 /nfs/dbraw/zinc/46/21/13/632462113.db2.gz DTWGCDZTFARNGQ-LLVKDONJSA-N 0 0 289.297 3.201 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000820153763 632580114 /nfs/dbraw/zinc/58/01/14/632580114.db2.gz ZZJVEGPXCRBQNX-LLVKDONJSA-N 0 0 294.395 3.025 20 10 CGCDRN CSC(C)(C)CCN1CCOc2cc(N(C)C)ccc21 ZINC000820880881 632691065 /nfs/dbraw/zinc/69/10/65/632691065.db2.gz LDVQVYHTPNHTLH-UHFFFAOYSA-N 0 0 294.464 3.483 20 10 CGCDRN CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000821191479 632735973 /nfs/dbraw/zinc/73/59/73/632735973.db2.gz NYWHFJWMBMJWFR-SNVBAGLBSA-N 0 0 291.800 3.366 20 10 CGCDRN Oc1ccc(Cl)cc1C[NH+]1CC(CC(F)F)C1 ZINC000822520789 632959145 /nfs/dbraw/zinc/95/91/45/632959145.db2.gz PGCSMDIPYVHOGD-UHFFFAOYSA-N 0 0 261.699 3.133 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000822539676 632964757 /nfs/dbraw/zinc/96/47/57/632964757.db2.gz LUJQGCGSMHRMPX-AKZRSSKFSA-N 0 0 255.720 3.073 20 10 CGCDRN Cc1cc(C(F)(F)F)c(N2Cc3cccc(O)c3C2)nn1 ZINC000866118726 633004709 /nfs/dbraw/zinc/00/47/09/633004709.db2.gz GILMAXAQQUFLCE-UHFFFAOYSA-N 0 0 295.264 3.030 20 10 CGCDRN CCc1cc2c(ncnc2N2Cc3cccc(O)c3C2)s1 ZINC000866118477 633005055 /nfs/dbraw/zinc/00/50/55/633005055.db2.gz BAWRPWLGUBAIJH-UHFFFAOYSA-N 0 0 297.383 3.480 20 10 CGCDRN CCc1ncnc(N[C@H](C)c2ccccc2O)c1F ZINC000866239343 633040883 /nfs/dbraw/zinc/04/08/83/633040883.db2.gz UYHZEFBUBIMJKT-SECBINFHSA-N 0 0 261.300 3.057 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866481389 633154544 /nfs/dbraw/zinc/15/45/44/633154544.db2.gz QZHOBMQBTYXQDK-JQWIXIFHSA-N 0 0 296.392 3.237 20 10 CGCDRN O=C(C[C@@H]1CC=CCC1)NCc1cc(Cl)ccc1O ZINC000823986047 633178672 /nfs/dbraw/zinc/17/86/72/633178672.db2.gz FBVZJDBKRMBMSS-LLVKDONJSA-N 0 0 279.767 3.408 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(F)cc(F)c1[O-] ZINC000866634931 633223834 /nfs/dbraw/zinc/22/38/34/633223834.db2.gz VWDFWBOVVQWTSN-RNCFNFMXSA-N 0 0 293.317 3.053 20 10 CGCDRN C[C@]1(F)CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000824472132 633249443 /nfs/dbraw/zinc/24/94/43/633249443.db2.gz MDBIGVLUCYNDLN-ZDUSSCGKSA-N 0 0 257.736 3.370 20 10 CGCDRN COc1ccc(CN[C@H](C(=O)OC(C)C)C(C)C)cc1C ZINC000824845427 633300470 /nfs/dbraw/zinc/30/04/70/633300470.db2.gz KZURTVMTDJCKSC-INIZCTEOSA-N 0 0 293.407 3.069 20 10 CGCDRN CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825005402 633316454 /nfs/dbraw/zinc/31/64/54/633316454.db2.gz JNAJYFQHMCVCEN-VIFPVBQESA-N 0 0 297.761 3.252 20 10 CGCDRN C[C@@H]1C[C@@H](NCc2c(O)cccc2Cl)c2nccn21 ZINC000825017552 633318408 /nfs/dbraw/zinc/31/84/08/633318408.db2.gz ULSHAYKUZVPOCN-BXKDBHETSA-N 0 0 277.755 3.038 20 10 CGCDRN CC[C@H]1CCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868394316 633319568 /nfs/dbraw/zinc/31/95/68/633319568.db2.gz QYJVLANTKFCIEN-MBNYWOFBSA-N 0 0 276.380 3.331 20 10 CGCDRN Cc1cscc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868547832 633334572 /nfs/dbraw/zinc/33/45/72/633334572.db2.gz LIXLZNXPRLJSAS-LLVKDONJSA-N 0 0 290.388 3.323 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000825250312 633339231 /nfs/dbraw/zinc/33/92/31/633339231.db2.gz YGOKGOPZQXWVHS-UWVGGRQHSA-N 0 0 269.747 3.320 20 10 CGCDRN C[C@H](NC(=O)NCCCC(C)(F)F)c1ccccc1O ZINC000868654729 633348813 /nfs/dbraw/zinc/34/88/13/633348813.db2.gz CWNCYXQTONCHCT-JTQLQIEISA-N 0 0 286.322 3.188 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1O ZINC000868720623 633355025 /nfs/dbraw/zinc/35/50/25/633355025.db2.gz AOBWXTSNIFBXGO-ZLDLUXBVSA-N 0 0 288.391 3.189 20 10 CGCDRN Cc1scc(CNC(=O)NCc2ccccc2O)c1C ZINC000868866612 633373128 /nfs/dbraw/zinc/37/31/28/633373128.db2.gz YHGQQRIDBGNJNJ-UHFFFAOYSA-N 0 0 290.388 3.070 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)NCc1cccc(OC)c1O ZINC000825703172 633375668 /nfs/dbraw/zinc/37/56/68/633375668.db2.gz LPIMBRYYEWOECO-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN CC[C@@H](C)[C@@H](C)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000826566069 633414656 /nfs/dbraw/zinc/41/46/56/633414656.db2.gz XVRKEIKTKRSBIM-NXEZZACHSA-N 0 0 267.394 3.493 20 10 CGCDRN Cc1cc(C)c(COC(=O)C2=CC(=O)CS2)c(C)n1 ZINC000869395262 633438515 /nfs/dbraw/zinc/43/85/15/633438515.db2.gz ZSLVTQLDNFTSKD-UHFFFAOYSA-N 0 0 277.345 3.131 20 10 CGCDRN CC1(C)CC[C@H]1C(=O)NCCCSc1nccs1 ZINC000827474913 633493235 /nfs/dbraw/zinc/49/32/35/633493235.db2.gz ONJKOHCTYCLICI-JTQLQIEISA-N 0 0 284.450 3.178 20 10 CGCDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000827639849 633506222 /nfs/dbraw/zinc/50/62/22/633506222.db2.gz NJZLDKUHYRGRMQ-MRXNPFEDSA-N 0 0 287.334 3.185 20 10 CGCDRN COc1cccc(C[NH2+]Cc2cccc(F)c2[O-])c1C ZINC000827780067 633516496 /nfs/dbraw/zinc/51/64/96/633516496.db2.gz RRFKYRDAZWCGCJ-UHFFFAOYSA-N 0 0 275.323 3.138 20 10 CGCDRN Cc1nnc(CN(C)Cc2cc(Cl)cc(C)c2O)s1 ZINC000827804854 633518963 /nfs/dbraw/zinc/51/89/63/633518963.db2.gz BGPBBNLGKSIHRJ-UHFFFAOYSA-N 0 0 297.811 3.146 20 10 CGCDRN C[C@@H](NC(=O)c1coc(C(C)(C)C)n1)c1ccccc1O ZINC000827916385 633534246 /nfs/dbraw/zinc/53/42/46/633534246.db2.gz GMLZGLCOYPXUJW-SNVBAGLBSA-N 0 0 288.347 3.169 20 10 CGCDRN COc1ccc(CCC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827922931 633534319 /nfs/dbraw/zinc/53/43/19/633534319.db2.gz DPNYFCJTXURAFQ-CYBMUJFWSA-N 0 0 299.370 3.211 20 10 CGCDRN Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827917858 633534798 /nfs/dbraw/zinc/53/47/98/633534798.db2.gz QEDVZNBJPFDHQT-CQSZACIVSA-N 0 0 299.370 3.265 20 10 CGCDRN Cc1sccc1CC(=O)N[C@H](C)c1ccccc1O ZINC000827946380 633538028 /nfs/dbraw/zinc/53/80/28/633538028.db2.gz GIFMRXMKJNEBRO-SNVBAGLBSA-N 0 0 275.373 3.182 20 10 CGCDRN CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1cccnc1 ZINC000827946361 633538450 /nfs/dbraw/zinc/53/84/50/633538450.db2.gz FURDTFYYRXQDCH-CXAGYDPISA-N 0 0 298.386 3.404 20 10 CGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)C(F)(F)F ZINC000827955555 633539421 /nfs/dbraw/zinc/53/94/21/633539421.db2.gz AZZMRCDWXJSDKJ-BDAKNGLRSA-N 0 0 275.270 3.158 20 10 CGCDRN C[C@H](NC(=O)C(C)(C)[C@H]1CCCCO1)c1ccccc1O ZINC000827955585 633539614 /nfs/dbraw/zinc/53/96/14/633539614.db2.gz BDBHHVPCYFMASZ-SWLSCSKDSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000827963956 633541507 /nfs/dbraw/zinc/54/15/07/633541507.db2.gz FIRMAPWRQSRSRH-UWVGGRQHSA-N 0 0 269.291 3.005 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1O ZINC000827964214 633542104 /nfs/dbraw/zinc/54/21/04/633542104.db2.gz HSRFCGJYDXDOIQ-LFUGVXIPSA-N 0 0 273.376 3.396 20 10 CGCDRN COC1CCC(CC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000827972850 633542765 /nfs/dbraw/zinc/54/27/65/633542765.db2.gz AWFWQXJNPJKDMO-HSBZDZAISA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)n1cccc1 ZINC000827977878 633543243 /nfs/dbraw/zinc/54/32/43/633543243.db2.gz AQKJKTSFAOQDHK-OLZOCXBDSA-N 0 0 272.348 3.022 20 10 CGCDRN COc1ccc(N(Cc2cn(C)nc2C)C(C)C)cc1F ZINC000828267283 633600044 /nfs/dbraw/zinc/60/00/44/633600044.db2.gz CLYPCRGWBMUVAF-UHFFFAOYSA-N 0 0 291.370 3.291 20 10 CGCDRN C[C@H](NC(=O)CC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000828860332 633662898 /nfs/dbraw/zinc/66/28/98/633662898.db2.gz BMSNDZZJNZSYQJ-NSHDSACASA-N 0 0 296.361 3.365 20 10 CGCDRN CCC1(CC)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000828954284 633672512 /nfs/dbraw/zinc/67/25/12/633672512.db2.gz ROUMSHHDINLKIX-UHFFFAOYSA-N 0 0 295.354 3.279 20 10 CGCDRN CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871199583 633722450 /nfs/dbraw/zinc/72/24/50/633722450.db2.gz ZGOVLZMREBVKBM-OAHLLOKOSA-N 0 0 281.355 3.428 20 10 CGCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1 ZINC000871202842 633723205 /nfs/dbraw/zinc/72/32/05/633723205.db2.gz NJXKWRILHDSMEL-UHFFFAOYSA-N 0 0 299.345 3.351 20 10 CGCDRN O=C([C@@H](c1ccccc1)C1CC1)N1Cc2cccc(O)c2C1 ZINC000871202780 633723737 /nfs/dbraw/zinc/72/37/37/633723737.db2.gz FWWMICQVDVYADT-SFHVURJKSA-N 0 0 293.366 3.428 20 10 CGCDRN CCC[C@@](C)(CC)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204375 633724759 /nfs/dbraw/zinc/72/47/59/633724759.db2.gz DECAHWFPSQBKSW-MRXNPFEDSA-N 0 0 261.365 3.451 20 10 CGCDRN C[C@H]1CCC[C@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205129 633725449 /nfs/dbraw/zinc/72/54/49/633725449.db2.gz OOIAKNPSAJGMIO-ZBEGNZNMSA-N 0 0 259.349 3.061 20 10 CGCDRN O=C([C@H]1CCCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000871205011 633725507 /nfs/dbraw/zinc/72/55/07/633725507.db2.gz OJLDARFOWSTIDE-JTQLQIEISA-N 0 0 281.302 3.060 20 10 CGCDRN CC[C@@H](CC(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205648 633725796 /nfs/dbraw/zinc/72/57/96/633725796.db2.gz JBMGKPROHLWHNH-LBPRGKRZSA-N 0 0 261.365 3.307 20 10 CGCDRN C[C@H]1CCCC[C@H]1CCNC(=O)Cc1ccc(N)cc1 ZINC000829641628 633760219 /nfs/dbraw/zinc/76/02/19/633760219.db2.gz HIPUKRKGJWPKLK-ZFWWWQNUSA-N 0 0 274.408 3.144 20 10 CGCDRN COc1ccc([C@H](C)NC(=O)C2=CC(=O)CS2)cc1C ZINC000830402963 633859889 /nfs/dbraw/zinc/85/98/89/633859889.db2.gz PCAAYVNTDDOVAJ-JTQLQIEISA-N 0 0 291.372 3.262 20 10 CGCDRN CCC[C@@H](C)c1cc(NC(=O)Cc2ccc(N)cc2)n[nH]1 ZINC000830442630 633862758 /nfs/dbraw/zinc/86/27/58/633862758.db2.gz XXNPKFGJNCHKBB-LLVKDONJSA-N 0 0 286.379 3.077 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)NC1CCCCC1 ZINC000871847177 633891554 /nfs/dbraw/zinc/89/15/54/633891554.db2.gz NMRIRISNNZUFAV-UHFFFAOYSA-N 0 0 289.423 3.368 20 10 CGCDRN CCCOc1ccc(C[NH2+]CC[C@H](CC)C(=O)[O-])cc1C ZINC000871874302 633905680 /nfs/dbraw/zinc/90/56/80/633905680.db2.gz KODVWNWFNFUKMC-HNNXBMFYSA-N 0 0 293.407 3.374 20 10 CGCDRN C[C@@H]1c2ccc(F)cc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000831411711 633955375 /nfs/dbraw/zinc/95/53/75/633955375.db2.gz FZWMNRKHZQNMHX-GFCCVEGCSA-N 0 0 298.361 3.096 20 10 CGCDRN CC1(C)C[C@H](NC(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC000831417039 633956405 /nfs/dbraw/zinc/95/64/05/633956405.db2.gz QHZJSZAJBQCRJC-KRWDZBQOSA-N 0 0 294.398 3.350 20 10 CGCDRN CCn1ncc(N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000872137120 634060090 /nfs/dbraw/zinc/06/00/90/634060090.db2.gz JPJGEZASZGHCJF-JTQLQIEISA-N 0 0 275.352 3.099 20 10 CGCDRN CCn1ncc(N[C@H](C)c2cc(C)ccc2O)c1C ZINC000872136411 634060342 /nfs/dbraw/zinc/06/03/42/634060342.db2.gz FAIZXFPFQNRECR-LLVKDONJSA-N 0 0 259.353 3.399 20 10 CGCDRN O=S(=O)(CCC1CCCCC1)Nc1ccc(O)cc1 ZINC000872331147 634110788 /nfs/dbraw/zinc/11/07/88/634110788.db2.gz WJHGZZMUIDWFOS-UHFFFAOYSA-N 0 0 283.393 3.104 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@]2(CCc3ccccc32)C1 ZINC000834843974 634254652 /nfs/dbraw/zinc/25/46/52/634254652.db2.gz IZYDQJAVDPKCQH-QGZVFWFLSA-N 0 0 299.395 3.184 20 10 CGCDRN Cc1ccncc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834885880 634266669 /nfs/dbraw/zinc/26/66/69/634266669.db2.gz GIZUUQZQAIRDMA-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894947 634272089 /nfs/dbraw/zinc/27/20/89/634272089.db2.gz NEFDFPHMKSCKSZ-KWBADKCTSA-N 0 0 275.327 3.084 20 10 CGCDRN CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000834905101 634281305 /nfs/dbraw/zinc/28/13/05/634281305.db2.gz QVSMKBZCDKPCKG-IUODEOHRSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(F)cc1[O-] ZINC000834914487 634286072 /nfs/dbraw/zinc/28/60/72/634286072.db2.gz FUGURGVMLUHWRW-OSMZGAPFSA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(F)cc1[O-] ZINC000873291524 634322621 /nfs/dbraw/zinc/32/26/21/634322621.db2.gz WUFIQNXRLZQILJ-HNNXBMFYSA-N 0 0 292.329 3.494 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CCC(F)(F)C2)cc1 ZINC000835043836 634331375 /nfs/dbraw/zinc/33/13/75/634331375.db2.gz ZXXVGQUZTGOMSF-ARJAWSKDSA-N 0 0 266.335 3.107 20 10 CGCDRN CN(C)c1ccc(/C=C\CNCC(C)(F)F)cc1 ZINC000835056331 634340582 /nfs/dbraw/zinc/34/05/82/634340582.db2.gz TVEKKDFZSGHUOP-PLNGDYQASA-N 0 0 254.324 3.011 20 10 CGCDRN CCc1ccc([C@@H](C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000837303409 634882693 /nfs/dbraw/zinc/88/26/93/634882693.db2.gz MXNDCRSVZCBGAP-CYBMUJFWSA-N 0 0 282.387 3.251 20 10 CGCDRN COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C)cc1O ZINC000876773873 634896553 /nfs/dbraw/zinc/89/65/53/634896553.db2.gz XPWNTPSDFCKPFU-UHFFFAOYSA-N 0 0 289.375 3.251 20 10 CGCDRN COc1ccc(NC(=O)c2cccc(O)c2O)cc1Cl ZINC000126200682 634918575 /nfs/dbraw/zinc/91/85/75/634918575.db2.gz ZVOYHQCRTVGVNK-UHFFFAOYSA-N 0 0 293.706 3.012 20 10 CGCDRN C[C@@H](COc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876975978 634942338 /nfs/dbraw/zinc/94/23/38/634942338.db2.gz KMMJHVCBVVOLSQ-NSHDSACASA-N 0 0 293.313 3.228 20 10 CGCDRN CC[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000877004306 634947801 /nfs/dbraw/zinc/94/78/01/634947801.db2.gz KJJJTVGXFFOVHX-SFHVURJKSA-N 0 0 296.414 3.339 20 10 CGCDRN Cc1ccc(CNc2ccnn2[C@H](C)C2CC2)c(O)c1 ZINC000877006051 634947949 /nfs/dbraw/zinc/94/79/49/634947949.db2.gz PSVCQSJEBXEZMB-GFCCVEGCSA-N 0 0 271.364 3.480 20 10 CGCDRN C[C@@H](COCC(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877075266 634973960 /nfs/dbraw/zinc/97/39/60/634973960.db2.gz BQOHIISGHYXIAE-AWEZNQCLSA-N 0 0 298.386 3.052 20 10 CGCDRN Cc1csc(CCCC(=O)N(C)c2ccc(N)cc2)n1 ZINC000877075261 634973970 /nfs/dbraw/zinc/97/39/70/634973970.db2.gz BNNSGDLWBSHGRN-UHFFFAOYSA-N 0 0 289.404 3.019 20 10 CGCDRN CN(C(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccc(N)cc1 ZINC000877077321 634974760 /nfs/dbraw/zinc/97/47/60/634974760.db2.gz CQCDBKHXLHVGEJ-MJGOQNOKSA-N 0 0 292.382 3.136 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077164 634974879 /nfs/dbraw/zinc/97/48/79/634974879.db2.gz YGZMPDLKPARHQO-WFASDCNBSA-N 0 0 260.381 3.448 20 10 CGCDRN CN(C(=O)Cc1ccc2c(c1)CCCC2)c1ccc(N)cc1 ZINC000877080097 634976694 /nfs/dbraw/zinc/97/66/94/634976694.db2.gz GPHYSWVPJYVCOV-UHFFFAOYSA-N 0 0 294.398 3.353 20 10 CGCDRN Cc1nc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])sc1C ZINC000877108598 634985695 /nfs/dbraw/zinc/98/56/95/634985695.db2.gz QSQIWPXJTPWGGK-UHFFFAOYSA-N 0 0 298.358 3.076 20 10 CGCDRN CCc1noc(CC)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877109415 634985811 /nfs/dbraw/zinc/98/58/11/634985811.db2.gz KHAMMCYRRFXDAA-UHFFFAOYSA-N 0 0 296.317 3.073 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CCCc1cccs1 ZINC000877120222 634990480 /nfs/dbraw/zinc/99/04/80/634990480.db2.gz DXVZDQXYXDHIBQ-UHFFFAOYSA-N 0 0 283.343 3.454 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCC[C@H]1CCO1 ZINC000877180267 635008297 /nfs/dbraw/zinc/00/82/97/635008297.db2.gz IGKNSQPEHUODTF-AWEZNQCLSA-N 0 0 261.365 3.017 20 10 CGCDRN Cc1cccc(O)c1CNc1cnn([C@@H](C)C2CC2)c1 ZINC000877425505 635038521 /nfs/dbraw/zinc/03/85/21/635038521.db2.gz CHJRNNNYWVMFJR-LBPRGKRZSA-N 0 0 271.364 3.480 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc2c1CCO2 ZINC000877491143 635058758 /nfs/dbraw/zinc/05/87/58/635058758.db2.gz GGDMTSWPKIHNAX-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000840860574 635067353 /nfs/dbraw/zinc/06/73/53/635067353.db2.gz VXIRKCTVHAKDEB-GDLVEWKHSA-N 0 0 281.371 3.386 20 10 CGCDRN [O-]c1c(C[NH2+]CC2(C(F)(F)F)CC2)ccc(F)c1F ZINC000877520121 635069886 /nfs/dbraw/zinc/06/98/86/635069886.db2.gz NXSPQECLHXACNL-UHFFFAOYSA-N 0 0 281.224 3.103 20 10 CGCDRN Cc1cc(O)c(CN2CCC(F)(F)C2)c(Cl)c1 ZINC000840935893 635085460 /nfs/dbraw/zinc/08/54/60/635085460.db2.gz DKIPYCHOIWOIPI-UHFFFAOYSA-N 0 0 261.699 3.195 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]CCCCC(=O)[O-])cc1F ZINC000840996911 635101196 /nfs/dbraw/zinc/10/11/96/635101196.db2.gz OPXZGBXDJGNXIZ-UHFFFAOYSA-N 0 0 296.386 3.016 20 10 CGCDRN Cc1ccc(CN2Cc3cccc(F)c3C2)c(O)c1 ZINC000877584413 635102164 /nfs/dbraw/zinc/10/21/64/635102164.db2.gz FKDJDSONPFTCTR-UHFFFAOYSA-N 0 0 257.308 3.356 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc(F)c1F ZINC000877603369 635107821 /nfs/dbraw/zinc/10/78/21/635107821.db2.gz LOZXKBQGUBNXSA-GXTWGEPZSA-N 0 0 297.345 3.061 20 10 CGCDRN NC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000841039260 635112092 /nfs/dbraw/zinc/11/20/92/635112092.db2.gz HNBDFIWEGVXAGR-AWEZNQCLSA-N 0 0 282.815 3.043 20 10 CGCDRN CC[C@H](C)n1nc(NC(=O)Nc2ccc(N)cc2)cc1C ZINC000841295837 635148934 /nfs/dbraw/zinc/14/89/34/635148934.db2.gz HIYZKIILZPXSPH-JTQLQIEISA-N 0 0 287.367 3.389 20 10 CGCDRN Cc1cnc(C(C)(C)NC(=O)Nc2ccc(N)cc2)s1 ZINC000841298477 635149578 /nfs/dbraw/zinc/14/95/78/635149578.db2.gz AGWARIBJQADFBM-UHFFFAOYSA-N 0 0 290.392 3.091 20 10 CGCDRN C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300117 635149739 /nfs/dbraw/zinc/14/97/39/635149739.db2.gz NYRXVKYAEBCXOP-RYUDHWBXSA-N 0 0 261.369 3.311 20 10 CGCDRN C[C@H](C1CC1)N(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000841299362 635149792 /nfs/dbraw/zinc/14/97/92/635149792.db2.gz BARHEENDPHYRCM-SNVBAGLBSA-N 0 0 259.353 3.064 20 10 CGCDRN Nc1ccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000841300902 635149860 /nfs/dbraw/zinc/14/98/60/635149860.db2.gz WILNSLJBPQCWPC-CABCVRRESA-N 0 0 273.380 3.359 20 10 CGCDRN CC(C)[C@@H]1N(C(=O)Nc2ccc(N)cc2)CC1(C)C ZINC000841299778 635150078 /nfs/dbraw/zinc/15/00/78/635150078.db2.gz NSYKSDGHIDYGAG-ZDUSSCGKSA-N 0 0 261.369 3.167 20 10 CGCDRN C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300914 635150941 /nfs/dbraw/zinc/15/09/41/635150941.db2.gz WQSYISDCYORWPI-SFHVURJKSA-N 0 0 295.386 3.464 20 10 CGCDRN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754117 635228137 /nfs/dbraw/zinc/22/81/37/635228137.db2.gz ZEQSTLSOZHTJBO-NEPJUHHUSA-N 0 0 284.831 3.427 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(Cl)cc1[O-] ZINC000841755286 635229050 /nfs/dbraw/zinc/22/90/50/635229050.db2.gz IXYZSNUEWRACHR-DMDPSCGWSA-N 0 0 283.799 3.247 20 10 CGCDRN CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC(F)(F)C1 ZINC000877834652 635235059 /nfs/dbraw/zinc/23/50/59/635235059.db2.gz UUJUGWZXLFWJFY-UHFFFAOYSA-N 0 0 279.689 3.462 20 10 CGCDRN CCn1cncc1CN(C)c1ccc(OC(C)C)cc1 ZINC000841878852 635245557 /nfs/dbraw/zinc/24/55/57/635245557.db2.gz VNOWZBWGXQGRKR-UHFFFAOYSA-N 0 0 273.380 3.327 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC(C)C ZINC000841888526 635247615 /nfs/dbraw/zinc/24/76/15/635247615.db2.gz KTYVDNXOBZPGBN-LLVKDONJSA-N 0 0 289.778 3.335 20 10 CGCDRN CC[C@H]1CCCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954905 635251803 /nfs/dbraw/zinc/25/18/03/635251803.db2.gz RCWMONBGVCXVDI-INIZCTEOSA-N 0 0 289.423 3.176 20 10 CGCDRN COc1ccc(N(C)Cc2scnc2Cl)cc1OC ZINC000877996480 635313929 /nfs/dbraw/zinc/31/39/29/635313929.db2.gz TZNKAQZTJZBQBJ-UHFFFAOYSA-N 0 0 298.795 3.450 20 10 CGCDRN C[C@@H](NCc1nc2c(o1)CCCC2)c1ccc(N(C)C)cc1 ZINC000878455183 635512946 /nfs/dbraw/zinc/51/29/46/635512946.db2.gz RMHBPMCAVRTGMD-CYBMUJFWSA-N 0 0 299.418 3.470 20 10 CGCDRN CC[C@H](C)C[C@@H](NCc1cc(C)c(C)cc1O)C(=O)OC ZINC000843416096 635663552 /nfs/dbraw/zinc/66/35/52/635663552.db2.gz OJKXIMTUABSHHY-XHDPSFHLSA-N 0 0 293.407 3.076 20 10 CGCDRN CCc1noc(C)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC000879025887 635685366 /nfs/dbraw/zinc/68/53/66/635685366.db2.gz LACDAVIVHFNUPN-VIFPVBQESA-N 0 0 289.335 3.134 20 10 CGCDRN CCOc1ccc(N(Cc2csnn2)CC2CC2)cc1 ZINC000879117142 635707110 /nfs/dbraw/zinc/70/71/10/635707110.db2.gz KAZLYSXKHHVWQJ-UHFFFAOYSA-N 0 0 289.404 3.353 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cc2n(n1)CCC2 ZINC000844317324 635868786 /nfs/dbraw/zinc/86/87/86/635868786.db2.gz PZMCXHYWENSFHD-UHFFFAOYSA-N 0 0 297.402 3.181 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000844353546 635878662 /nfs/dbraw/zinc/87/86/62/635878662.db2.gz RFWUYZXRKUWOGD-MRXNPFEDSA-N 0 0 293.313 3.143 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)cc1 ZINC000844356674 635878870 /nfs/dbraw/zinc/87/88/70/635878870.db2.gz VUOADRJSCKFZLH-KBXCAEBGSA-N 0 0 285.387 3.296 20 10 CGCDRN CCOc1ccc(CNc2cnccc2CC)c(O)c1 ZINC000844707405 635956215 /nfs/dbraw/zinc/95/62/15/635956215.db2.gz SNVYZIGZSKWMAU-UHFFFAOYSA-N 0 0 272.348 3.360 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1nc(C2CC2)ns1 ZINC000845708527 636083926 /nfs/dbraw/zinc/08/39/26/636083926.db2.gz FTKSTFPSIOTNJV-UHFFFAOYSA-N 0 0 281.768 3.387 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000881440715 636109650 /nfs/dbraw/zinc/10/96/50/636109650.db2.gz MOHPOPBRXDYTGY-JKOKRWQUSA-N 0 0 259.349 3.006 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC23CCCC3)c1[O-] ZINC000846001219 636128411 /nfs/dbraw/zinc/12/84/11/636128411.db2.gz YVJKSSHPAYBUQT-UHFFFAOYSA-N 0 0 296.754 3.472 20 10 CGCDRN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000846015071 636129610 /nfs/dbraw/zinc/12/96/10/636129610.db2.gz UMHXKNWDGDBSBR-TVQRCGJNSA-N 0 0 289.778 3.071 20 10 CGCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000846015059 636129772 /nfs/dbraw/zinc/12/97/72/636129772.db2.gz UMHXKNWDGDBSBR-NOZJJQNGSA-N 0 0 289.778 3.071 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000846052044 636139295 /nfs/dbraw/zinc/13/92/95/636139295.db2.gz JTKYKSNRJWYYFE-GFCCVEGCSA-N 0 0 287.762 3.186 20 10 CGCDRN COc1cccc([C@@H](C)Nc2ccc(CCO)cc2)c1O ZINC000846158994 636150273 /nfs/dbraw/zinc/15/02/73/636150273.db2.gz CNEGSJXFQZDTPB-GFCCVEGCSA-N 0 0 287.359 3.109 20 10 CGCDRN COc1cccc([C@H](C)Nc2cccc3c2OCO3)c1O ZINC000846166519 636152031 /nfs/dbraw/zinc/15/20/31/636152031.db2.gz YLTUQMMVPLUCJQ-JTQLQIEISA-N 0 0 287.315 3.303 20 10 CGCDRN C[C@H]1CC[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474756 636187964 /nfs/dbraw/zinc/18/79/64/636187964.db2.gz BDHIMYPVVGYJAL-QWRGUYRKSA-N 0 0 281.783 3.488 20 10 CGCDRN CC(C)=C(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846477582 636188703 /nfs/dbraw/zinc/18/87/03/636188703.db2.gz UZFUHHJZDNJHJP-UHFFFAOYSA-N 0 0 253.729 3.018 20 10 CGCDRN COc1ccc(CNC(=O)[C@]2(C)CC=C(C)CC2)c(O)c1 ZINC000846948830 636291520 /nfs/dbraw/zinc/29/15/20/636291520.db2.gz CERONBLUKHXQML-QGZVFWFLSA-N 0 0 289.375 3.154 20 10 CGCDRN CCCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000025465107 636389478 /nfs/dbraw/zinc/38/94/78/636389478.db2.gz TUMPDEGAMCPKRU-UHFFFAOYSA-N 0 0 286.375 3.243 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CCC1CCC1 ZINC000130333613 636442595 /nfs/dbraw/zinc/44/25/95/636442595.db2.gz VMCODQDHBRAYOE-UHFFFAOYSA-N 0 0 284.197 3.435 20 10 CGCDRN CCC[C@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000213398536 636449864 /nfs/dbraw/zinc/44/98/64/636449864.db2.gz VLGNRWNZEZJDQT-AWEZNQCLSA-N 0 0 261.369 3.455 20 10 CGCDRN CCn1nc(C)c(NCc2cc(F)cc(F)c2O)c1C ZINC000883073242 636529645 /nfs/dbraw/zinc/52/96/45/636529645.db2.gz KMSVDPBQFBEGNR-UHFFFAOYSA-N 0 0 281.306 3.116 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCCO1 ZINC000883162108 636561468 /nfs/dbraw/zinc/56/14/68/636561468.db2.gz JSTHIQCWUSDEPW-UONOGXRCSA-N 0 0 285.334 3.108 20 10 CGCDRN CCc1cccc(CN(C)Cc2nccs2)c1O ZINC000848887751 636676122 /nfs/dbraw/zinc/67/61/22/636676122.db2.gz DIKFPXICDZTFGA-UHFFFAOYSA-N 0 0 262.378 3.043 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000848926783 636699285 /nfs/dbraw/zinc/69/92/85/636699285.db2.gz ZHEUYGDHJZPALJ-JTQLQIEISA-N 0 0 299.798 3.113 20 10 CGCDRN C[C@H](O)C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000848928530 636700107 /nfs/dbraw/zinc/70/01/07/636700107.db2.gz GKRNAYWLDGYYLJ-QMMMGPOBSA-N 0 0 290.190 3.044 20 10 CGCDRN C[C@@H]1C[NH+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC000132756788 636835333 /nfs/dbraw/zinc/83/53/33/636835333.db2.gz LSLBPOAAYVYUQK-NXEZZACHSA-N 0 0 284.197 3.243 20 10 CGCDRN CC[C@@H](COC(=O)C1=CC(=O)CS1)CC(F)F ZINC000849727791 636856253 /nfs/dbraw/zinc/85/62/53/636856253.db2.gz HDXCEQITKPSRJX-SSDOTTSWSA-N 0 0 264.293 3.292 20 10 CGCDRN CCOc1cccc(CN(C)c2ccc(OC)cc2)c1O ZINC000133069070 636869650 /nfs/dbraw/zinc/86/96/50/636869650.db2.gz YEUMHHWDZVSGQZ-UHFFFAOYSA-N 0 0 287.359 3.436 20 10 CGCDRN CN1CCC[C@@H](CSc2ncc(C(C)(C)C)s2)C1=O ZINC000849887797 636899477 /nfs/dbraw/zinc/89/94/77/636899477.db2.gz QCYGUGLPEYCSKG-JTQLQIEISA-N 0 0 298.477 3.401 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850393763 637045394 /nfs/dbraw/zinc/04/53/94/637045394.db2.gz WDZPLJFLPGVZBB-PEGIJTEDSA-N 0 0 282.181 3.043 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000850553862 637119272 /nfs/dbraw/zinc/11/92/72/637119272.db2.gz AGYPFKGNEABPOJ-BZNIZROVSA-N 0 0 291.391 3.264 20 10 CGCDRN CCCN1CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000850556081 637120443 /nfs/dbraw/zinc/12/04/43/637120443.db2.gz QSQQZGBEWDOLOB-UKRRQHHQSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571871 637128895 /nfs/dbraw/zinc/12/88/95/637128895.db2.gz DGTIKSVVNLAJED-GXFFZTMASA-N 0 0 277.343 3.067 20 10 CGCDRN OCCCc1cccc(NCc2cccc(F)c2O)c1 ZINC000136265705 637302093 /nfs/dbraw/zinc/30/20/93/637302093.db2.gz MAEICPDZVVHVLO-UHFFFAOYSA-N 0 0 275.323 3.068 20 10 CGCDRN CC1=CC[C@@](C)(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000851632594 637462590 /nfs/dbraw/zinc/46/25/90/637462590.db2.gz SVTVMMNEOARXAX-QGZVFWFLSA-N 0 0 272.392 3.064 20 10 CGCDRN Nc1ccc(CC(=O)N2CCCC[C@H]2CC2CCC2)cc1 ZINC000851647905 637466489 /nfs/dbraw/zinc/46/64/89/637466489.db2.gz TXRIMAZPNWJKIL-KRWDZBQOSA-N 0 0 286.419 3.383 20 10 CGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000851900082 637537247 /nfs/dbraw/zinc/53/72/47/637537247.db2.gz OPAAYQAFBICYEY-SNVBAGLBSA-N 0 0 288.347 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COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000246412110 640673890 /nfs/dbraw/zinc/67/38/90/640673890.db2.gz FHIZRNNSNOBEKN-CNXAATOLSA-N 0 0 289.375 3.014 20 10 CGCDRN CCc1cnc(CN(C)Cc2cc(C)ccc2O)s1 ZINC000093807690 640781464 /nfs/dbraw/zinc/78/14/64/640781464.db2.gz IGOZHAUFFRKMIR-UHFFFAOYSA-N 0 0 276.405 3.352 20 10 CGCDRN COc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c1O ZINC000253089605 640870920 /nfs/dbraw/zinc/87/09/20/640870920.db2.gz CZVWNIIBPMGVNP-JHJVBQTASA-N 0 0 263.381 3.267 20 10 CGCDRN CC(C)c1ccc(N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC001156923860 805752615 /nfs/dbraw/zinc/75/26/15/805752615.db2.gz ITYCIRGJQNQASB-UHFFFAOYSA-N 0 0 284.407 3.302 20 10 CGCDRN CCOc1cccc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156923810 805752735 /nfs/dbraw/zinc/75/27/35/805752735.db2.gz GRTRIGROJSTJGE-UHFFFAOYSA-N 0 0 285.391 3.183 20 10 CGCDRN Cc1c(F)ccnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156920414 805752946 /nfs/dbraw/zinc/75/29/46/805752946.db2.gz DHQUZZBNCUNYHW-UHFFFAOYSA-N 0 0 273.355 3.232 20 10 CGCDRN CN(C)c1ccc(CN(C)c2nncc3ccccc32)cc1 ZINC001156923478 805753314 /nfs/dbraw/zinc/75/33/14/805753314.db2.gz DYMKIWXVSJHDEQ-UHFFFAOYSA-N 0 0 292.386 3.332 20 10 CGCDRN CC(C)Cc1cc(N(C)Cc2ccc(N(C)C)cc2)ncn1 ZINC001156920358 805753337 /nfs/dbraw/zinc/75/33/37/805753337.db2.gz ADNRWVKIGJZRFE-UHFFFAOYSA-N 0 0 298.434 3.378 20 10 CGCDRN Nc1ccc(Nc2ncccc2OC(F)(F)F)cc1 ZINC001159253868 806066532 /nfs/dbraw/zinc/06/65/32/806066532.db2.gz DVUDSVHZBRPYBT-UHFFFAOYSA-N 0 0 269.226 3.306 20 10 CGCDRN COC(=O)c1c(C)c(Nc2ccc(N)cc2)ccc1F ZINC001159840078 806185018 /nfs/dbraw/zinc/18/50/18/806185018.db2.gz DIROECSXLWFEKN-UHFFFAOYSA-N 0 0 274.295 3.247 20 10 CGCDRN CC[C@H]1CCCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC001159918729 806198040 /nfs/dbraw/zinc/19/80/40/806198040.db2.gz OQHLDMPJLNMFOB-QWRGUYRKSA-N 0 0 267.394 3.400 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1cc2c(nn1)CCC2 ZINC001160205872 806234811 /nfs/dbraw/zinc/23/48/11/806234811.db2.gz ATXGAEOIIJDISI-UHFFFAOYSA-N 0 0 291.354 3.436 20 10 CGCDRN Cc1cccc(-c2nnc(Cc3ccc(O)c(O)c3)o2)c1 ZINC001253647342 806275774 /nfs/dbraw/zinc/27/57/74/806275774.db2.gz ALPFRARWPSMPHB-UHFFFAOYSA-N 0 0 282.299 3.047 20 10 CGCDRN Cc1ccccc1-c1cn(CCc2ccc(N)cc2)nn1 ZINC001254080920 806339442 /nfs/dbraw/zinc/33/94/42/806339442.db2.gz CCDHBEKRXIBZCK-UHFFFAOYSA-N 0 0 278.359 3.078 20 10 CGCDRN CCC[C@H](C)CCNC(=O)NCc1ccc(OC)cc1O ZINC001254805196 806490818 /nfs/dbraw/zinc/49/08/18/806490818.db2.gz FABNMFIJNSIQQV-LBPRGKRZSA-N 0 0 294.395 3.026 20 10 CGCDRN CNc1ccccc1NCc1cnc2cccc(C)n12 ZINC001162354318 806562566 /nfs/dbraw/zinc/56/25/66/806562566.db2.gz PSZCLOZVQPFNAO-UHFFFAOYSA-N 0 0 266.348 3.297 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCSC2)cc(Cl)c2cccnc12 ZINC001255270722 806588202 /nfs/dbraw/zinc/58/82/02/806588202.db2.gz KSVFTNUZWZZCAV-SNVBAGLBSA-N 0 0 294.807 3.189 20 10 CGCDRN NC(=O)Nc1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000037135997 798859871 /nfs/dbraw/zinc/85/98/71/798859871.db2.gz LWVUNORNRXXWQR-UHFFFAOYSA-N 0 0 291.738 3.148 20 10 CGCDRN Oc1ccccc1CNc1ncccc1C(F)(F)F ZINC000160247287 799075816 /nfs/dbraw/zinc/07/58/16/799075816.db2.gz CWPSWVJTQCFSEQ-UHFFFAOYSA-N 0 0 268.238 3.418 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCc2ccccc2C1 ZINC000160194804 799076095 /nfs/dbraw/zinc/07/60/95/799076095.db2.gz BREABSURRKVAAH-UHFFFAOYSA-N 0 0 257.308 3.090 20 10 CGCDRN Nc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000168228147 799085791 /nfs/dbraw/zinc/08/57/91/799085791.db2.gz PQNNPVDTORNSLI-ZDUSSCGKSA-N 0 0 272.373 3.389 20 10 CGCDRN CC(C)C1([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000378873718 799344695 /nfs/dbraw/zinc/34/46/95/799344695.db2.gz VALHFWVIBJDXHG-UHFFFAOYSA-N 0 0 284.197 3.433 20 10 CGCDRN C[C@@H]([NH2+]CCF)c1cc(Br)cc(Cl)c1[O-] ZINC000380187813 799358960 /nfs/dbraw/zinc/35/89/60/799358960.db2.gz HBTXTJLNTILDBE-ZCFIWIBFSA-N 0 0 296.567 3.428 20 10 CGCDRN C[C@@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000381715218 799385817 /nfs/dbraw/zinc/38/58/17/799385817.db2.gz JAHFUDKICJVFMA-PRHODGIISA-N 0 0 289.206 3.011 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H](C)OC ZINC000383066591 799400019 /nfs/dbraw/zinc/40/00/19/799400019.db2.gz FUUUWYROJHUSEP-SNVBAGLBSA-N 0 0 299.798 3.105 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccnc2ccccc21 ZINC000383769275 799408884 /nfs/dbraw/zinc/40/88/84/799408884.db2.gz UJTJMYJASSTSJG-UHFFFAOYSA-N 0 0 292.338 3.213 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CS1 ZINC000397897082 799523266 /nfs/dbraw/zinc/52/32/66/799523266.db2.gz ROLIAEZVEZQSKX-IUCAKERBSA-N 0 0 257.786 3.029 20 10 CGCDRN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000397982273 799524616 /nfs/dbraw/zinc/52/46/16/799524616.db2.gz SBHDTCZWQYRGEC-WCABBAIRSA-N 0 0 255.358 3.076 20 10 CGCDRN C[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403569 799688984 /nfs/dbraw/zinc/68/89/84/799688984.db2.gz PABTUOILSICKNC-UPZNUWHASA-N 0 0 295.338 3.089 20 10 CGCDRN CC(C)(C)CC(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403201 799689022 /nfs/dbraw/zinc/68/90/22/799689022.db2.gz BRFUZANOICWERQ-CLFYSBASSA-N 0 0 291.391 3.442 20 10 CGCDRN CC1(C)C[C@]1(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000701970105 799901461 /nfs/dbraw/zinc/90/14/61/799901461.db2.gz USCBWCGLVGLJGO-ZDUSSCGKSA-N 0 0 284.197 3.433 20 10 CGCDRN C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC(C)(C)C1 ZINC000709553865 800009856 /nfs/dbraw/zinc/00/98/56/800009856.db2.gz NHXHDVLUTBDZOW-SWLSCSKDSA-N 0 0 274.408 3.142 20 10 CGCDRN CCC1([NH+](C)C)CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000715201140 800132659 /nfs/dbraw/zinc/13/26/59/800132659.db2.gz WYCRCFNVCOLHCU-UHFFFAOYSA-N 0 0 296.842 3.352 20 10 CGCDRN CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000718370526 800216198 /nfs/dbraw/zinc/21/61/98/800216198.db2.gz AYGNLOLOVPVLMR-STQMWFEESA-N 0 0 283.799 3.483 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723997147 800350153 /nfs/dbraw/zinc/35/01/53/800350153.db2.gz SKWQLQAZRYRQES-DZGCQCFKSA-N 0 0 295.810 3.340 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1c([O-])cccc1F ZINC000886643447 800545524 /nfs/dbraw/zinc/54/55/24/800545524.db2.gz VSRIQHVPUFCLTK-JSGCOSHPSA-N 0 0 292.398 3.199 20 10 CGCDRN O=C(NC/C=C\C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC001117786885 802495057 /nfs/dbraw/zinc/49/50/57/802495057.db2.gz GBDFLRUBHGKORU-ARJAWSKDSA-N 0 0 299.418 3.052 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CF)CCC1 ZINC001118276072 802545484 /nfs/dbraw/zinc/54/54/84/802545484.db2.gz IZDQKBDNPYMMQC-UHFFFAOYSA-N 0 0 292.398 3.241 20 10 CGCDRN CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001120676760 802760107 /nfs/dbraw/zinc/76/01/07/802760107.db2.gz BTBYINQXXUUDJC-INIZCTEOSA-N 0 0 289.423 3.379 20 10 CGCDRN CCn1ccc(-c2ccc(OCC(C)C)nc2C)cc1=O ZINC001243791576 803009793 /nfs/dbraw/zinc/00/97/93/803009793.db2.gz JVBCZJWQUYDUQQ-UHFFFAOYSA-N 0 0 286.375 3.273 20 10 CGCDRN CO[C@H]1CC=C(c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001243806900 803022492 /nfs/dbraw/zinc/02/24/92/803022492.db2.gz LPQIMFFEDDFCLX-HNNXBMFYSA-N 0 0 291.366 3.245 20 10 CGCDRN COc1ccc2c(c1)CCN2C(=O)/C(C)=C/c1cccnc1 ZINC001125503429 803064149 /nfs/dbraw/zinc/06/41/49/803064149.db2.gz NLXAVGCTKHDEKR-JLHYYAGUSA-N 0 0 294.354 3.083 20 10 CGCDRN Cc1cc(C)c(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001244147900 803209869 /nfs/dbraw/zinc/20/98/69/803209869.db2.gz ZVPOPYIGOKTSFQ-UHFFFAOYSA-N 0 0 256.349 3.183 20 10 CGCDRN CN(C)c1ccc(-c2cnc3c(c2)CCCN3)cc1Cl ZINC001244423047 803362535 /nfs/dbraw/zinc/36/25/35/803362535.db2.gz IHLGHRGVTDUJIN-UHFFFAOYSA-N 0 0 287.794 3.469 20 10 CGCDRN Cc1c(F)cncc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001244836362 803543902 /nfs/dbraw/zinc/54/39/02/803543902.db2.gz GPEBZUVIQLPSCL-UHFFFAOYSA-N 0 0 268.291 3.048 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cn3ccccc3n2)cc1 ZINC001136883032 803658096 /nfs/dbraw/zinc/65/80/96/803658096.db2.gz USOIEDSNSJQVHH-UHFFFAOYSA-N 0 0 294.402 3.032 20 10 CGCDRN CC[N@H+](Cc1ccc2nccnc2c1)Cc1ccccc1O ZINC001137090178 803682128 /nfs/dbraw/zinc/68/21/28/803682128.db2.gz VOMFTYALOFNIEJ-UHFFFAOYSA-N 0 0 293.370 3.358 20 10 CGCDRN Oc1cccc(F)c1CN1CCC[C@H]1C(F)(F)F ZINC001137832730 803776802 /nfs/dbraw/zinc/77/68/02/803776802.db2.gz FTMAXGLGVNWRPL-NSHDSACASA-N 0 0 263.234 3.058 20 10 CGCDRN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001137832782 803778312 /nfs/dbraw/zinc/77/83/12/803778312.db2.gz HNXKNGBXTDRKOB-AOOOYVTPSA-N 0 0 271.282 3.008 20 10 CGCDRN C[N@H+](CCC(=O)c1ccccc1)Cc1cccc(F)c1[O-] ZINC001138128520 803864699 /nfs/dbraw/zinc/86/46/99/803864699.db2.gz PIPJNPDLSOVJGP-UHFFFAOYSA-N 0 0 287.334 3.236 20 10 CGCDRN CC1(F)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215561 803873861 /nfs/dbraw/zinc/87/38/61/803873861.db2.gz JNNQRPAOMNQCEV-UHFFFAOYSA-N 0 0 262.372 3.221 20 10 CGCDRN Cc1c(C[N@@H+]2CCOC[C@@H]2C2CC2)c2ccccc2n1C ZINC001138259565 803885320 /nfs/dbraw/zinc/88/53/20/803885320.db2.gz JINCHFAAWXFXDS-GOSISDBHSA-N 0 0 284.403 3.098 20 10 CGCDRN O=C(c1ccncc1)c1ccccc1Nc1cc[nH]c(=O)c1 ZINC001212281551 815002131 /nfs/dbraw/zinc/00/21/31/815002131.db2.gz FLTBAYISNFWURP-UHFFFAOYSA-N 0 0 291.310 3.157 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001139681104 804249114 /nfs/dbraw/zinc/24/91/14/804249114.db2.gz IGQZGOPFLMGRBK-WDEREUQCSA-N 0 0 267.319 3.292 20 10 CGCDRN O=C1CCN(Cc2c(F)ccc(F)c2[O-])[C@@H]2CCCC[C@H]12 ZINC001139685876 804251453 /nfs/dbraw/zinc/25/14/53/804251453.db2.gz ZSNANDXDZXSPFU-IINYFYTJSA-N 0 0 295.329 3.004 20 10 CGCDRN C[C@H]1c2cccn2CCN1Cc1c(F)ccc(F)c1[O-] ZINC001139685249 804252019 /nfs/dbraw/zinc/25/20/19/804252019.db2.gz CGAOZCILECGGPD-JTQLQIEISA-N 0 0 278.302 3.049 20 10 CGCDRN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684563 804252041 /nfs/dbraw/zinc/25/20/41/804252041.db2.gz ZHWPGLPEEYSIMQ-ZDUSSCGKSA-N 0 0 285.334 3.060 20 10 CGCDRN Cc1ccc(CN(C)Cc2c(O)cccc2Cl)cn1 ZINC001140342202 804419559 /nfs/dbraw/zinc/41/95/59/804419559.db2.gz XHTQUVYYYGLPSU-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN CCCCOC1CN(Cc2c(O)cccc2Cl)C1 ZINC001140345717 804420357 /nfs/dbraw/zinc/42/03/57/804420357.db2.gz YMDBCPNEOPFWIC-UHFFFAOYSA-N 0 0 269.772 3.047 20 10 CGCDRN CCC[N@H+](Cc1c([O-])cc(F)cc1F)C1CCOCC1 ZINC001140584009 804468660 /nfs/dbraw/zinc/46/86/60/804468660.db2.gz CBFYMCYPPGWHKT-UHFFFAOYSA-N 0 0 285.334 3.061 20 10 CGCDRN CCC[N@@H+](Cc1ccc(O)c(C)c1O)CC(C)C ZINC001140749711 804505087 /nfs/dbraw/zinc/50/50/87/804505087.db2.gz KDRRIAXTTYELGG-UHFFFAOYSA-N 0 0 251.370 3.274 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(Cl)c1 ZINC001140922395 804549440 /nfs/dbraw/zinc/54/94/40/804549440.db2.gz PUDVBHWETOEGLV-INIZCTEOSA-N 0 0 294.826 3.018 20 10 CGCDRN Oc1ccc(O)c(CN2CCc3ccc(Cl)cc3C2)c1 ZINC001141155716 804600288 /nfs/dbraw/zinc/60/02/88/804600288.db2.gz GSMSTGNQFKLAHJ-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN Cc1cc(C(=O)NOCC2CC2)c(C)n1-c1cccc(C)c1 ZINC001141399832 804638771 /nfs/dbraw/zinc/63/87/71/804638771.db2.gz YGOYLIFKZCXDDP-UHFFFAOYSA-N 0 0 298.386 3.474 20 10 CGCDRN C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142502340 804726842 /nfs/dbraw/zinc/72/68/42/804726842.db2.gz NEUSCBMHRKYXIG-UHFFFAOYSA-N 0 0 263.287 3.302 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cccn3ccnc23)cc1 ZINC001142959880 804789957 /nfs/dbraw/zinc/78/99/57/804789957.db2.gz DHMVASNQLBDNRY-UHFFFAOYSA-N 0 0 294.402 3.032 20 10 CGCDRN CC(C)(C)c1cccc(CN2CC(F)(F)C2)c1O ZINC001143104662 804802328 /nfs/dbraw/zinc/80/23/28/804802328.db2.gz XECDHCFFQBAVQN-UHFFFAOYSA-N 0 0 255.308 3.141 20 10 CGCDRN CCOc1ccc(-c2noc(Cc3ccc(N)cc3)n2)cc1 ZINC001248184573 804892365 /nfs/dbraw/zinc/89/23/65/804892365.db2.gz ZERUAOYBXYJHAM-UHFFFAOYSA-N 0 0 295.342 3.308 20 10 CGCDRN O=[N+]([O-])c1ccc(Nc2cccc(O)c2O)c(Cl)c1 ZINC001248608179 804961493 /nfs/dbraw/zinc/96/14/93/804961493.db2.gz VEDCGVBBQJZGKN-UHFFFAOYSA-N 0 0 280.667 3.403 20 10 CGCDRN CC[N@H+](Cc1cc(Br)c(F)cc1[O-])C1CC1 ZINC001144298398 804969612 /nfs/dbraw/zinc/96/96/12/804969612.db2.gz CWPAWXAPKGQSFO-UHFFFAOYSA-N 0 0 288.160 3.278 20 10 CGCDRN CC[C@H](F)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001144977344 805061510 /nfs/dbraw/zinc/06/15/10/805061510.db2.gz HCYLBTBFEYDHKZ-LBPRGKRZSA-N 0 0 284.350 3.036 20 10 CGCDRN COCc1ccc(C(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001148457036 805183188 /nfs/dbraw/zinc/18/31/88/805183188.db2.gz SSLCYNVFHNXMAV-UHFFFAOYSA-N 0 0 299.370 3.085 20 10 CGCDRN COc1ccc(/C(C)=C/C(=O)NCc2ccccc2O)cc1 ZINC001150535573 805260050 /nfs/dbraw/zinc/26/00/50/805260050.db2.gz DUKXSJDTVWZHRN-ACCUITESSA-N 0 0 297.354 3.121 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc(-c3ncco3)cc2)cc1 ZINC001249929449 805310034 /nfs/dbraw/zinc/31/00/34/805310034.db2.gz ZZMUXKGKENPEGH-UHFFFAOYSA-N 0 0 295.342 3.054 20 10 CGCDRN CCN(Cc1ccccc1O)c1cnc(Cl)cc1OC ZINC001154890195 805506133 /nfs/dbraw/zinc/50/61/33/805506133.db2.gz SKJMOHIFVHHFJL-UHFFFAOYSA-N 0 0 292.766 3.476 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC001167294075 807176484 /nfs/dbraw/zinc/17/64/84/807176484.db2.gz XENGHMNBONWZTI-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN Cc1cc(Cl)cc(NCCc2cc(O)c(O)cc2O)c1 ZINC001168005252 807298476 /nfs/dbraw/zinc/29/84/76/807298476.db2.gz BLFLBSZFWUTLIJ-UHFFFAOYSA-N 0 0 293.750 3.420 20 10 CGCDRN Oc1ccc(-c2nnc(-c3ccc4c(c3)CCC4)o2)cc1O ZINC001258174895 807342297 /nfs/dbraw/zinc/34/22/97/807342297.db2.gz IPGSIAIAWMIEDH-UHFFFAOYSA-N 0 0 294.310 3.304 20 10 CGCDRN Cc1nocc1Nc1nc(-c2ccncc2)cs1 ZINC001212718014 815112893 /nfs/dbraw/zinc/11/28/93/815112893.db2.gz XNEMCQQKPLPVBM-UHFFFAOYSA-N 0 0 258.306 3.245 20 10 CGCDRN COc1cc2cc[nH]c2cc1NCc1ccc(O)c(O)c1 ZINC001169994725 807735379 /nfs/dbraw/zinc/73/53/79/807735379.db2.gz FZDNSEIBCQLHEM-UHFFFAOYSA-N 0 0 284.315 3.200 20 10 CGCDRN COc1ccc2c(c1)C[C@@H](Nc1c(N)cccc1OC)CC2 ZINC001170412161 807837117 /nfs/dbraw/zinc/83/71/17/807837117.db2.gz FJPIMUGGVCPTOF-AWEZNQCLSA-N 0 0 298.386 3.255 20 10 CGCDRN CC1(C)CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262580330 807872917 /nfs/dbraw/zinc/87/29/17/807872917.db2.gz NWOPSFDFAAMYCA-CQSZACIVSA-N 0 0 275.396 3.037 20 10 CGCDRN CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(N)cc1)C1CC1 ZINC001262603929 807873197 /nfs/dbraw/zinc/87/31/97/807873197.db2.gz ZNFVCCZRQLALEB-OLZOCXBDSA-N 0 0 289.423 3.377 20 10 CGCDRN CC(C)(C)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603469 807873935 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/nfs/dbraw/zinc/84/44/66/937844466.db2.gz FEUATBSOBXODMC-INIZCTEOSA-N 0 0 299.361 3.091 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC001474333936 937852254 /nfs/dbraw/zinc/85/22/54/937852254.db2.gz GPYAGXFKOOOAFV-QWHCGFSZSA-N 0 0 263.381 3.125 20 10 CGCDRN Cc1ccc(CN2C[C@H](C)Oc3ccccc32)c(O)c1 ZINC001474417207 937858642 /nfs/dbraw/zinc/85/86/42/937858642.db2.gz CCZYCNWOCWGEEN-ZDUSSCGKSA-N 0 0 269.344 3.488 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001474746250 937878336 /nfs/dbraw/zinc/87/83/36/937878336.db2.gz QAHRQTPKRDCYRC-JIMOISOXSA-N 0 0 251.757 3.324 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)[C@H](C)C1 ZINC001477904577 937899628 /nfs/dbraw/zinc/89/96/28/937899628.db2.gz YMCUYNMZPUSNNH-LALPHHSUSA-N 0 0 288.391 3.242 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1cccnc1C ZINC001518309139 938014792 /nfs/dbraw/zinc/01/47/92/938014792.db2.gz VJASMDWHRYKBMW-QXMHVHEDSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccsc1 ZINC001527333973 938061040 /nfs/dbraw/zinc/06/10/40/938061040.db2.gz RLDLGAFCNCCXOV-ARJAWSKDSA-N 0 0 264.375 3.189 20 10 CGCDRN CCN(C(=O)/C(C)=C/c1cccnc1)c1cccnc1C ZINC001530873238 938079902 /nfs/dbraw/zinc/07/99/02/938079902.db2.gz XCKUNLNPAZIIMY-ACCUITESSA-N 0 0 281.359 3.241 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccsc2)cn1 ZINC001531122041 938080627 /nfs/dbraw/zinc/08/06/27/938080627.db2.gz PMZDXWVLVSXZQN-WAYWQWQTSA-N 0 0 258.346 3.128 20 10 CGCDRN CCCCN(C(=O)/C=C\c1cncc(F)c1)c1cccnc1 ZINC001532139006 938084963 /nfs/dbraw/zinc/08/49/63/938084963.db2.gz XJVAOONIZQVZCW-SREVYHEPSA-N 0 0 299.349 3.462 20 10 CGCDRN CCCCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001538640219 938119617 /nfs/dbraw/zinc/11/96/17/938119617.db2.gz ANZCTRINNRIMLE-UHFFFAOYSA-N 0 0 298.386 3.437 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccccc1C ZINC001540000748 938127545 /nfs/dbraw/zinc/12/75/45/938127545.db2.gz UCVOFYBZSSNBGE-SDNWHVSQSA-N 0 0 266.344 3.456 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1ccc2ccccc2c1 ZINC001557084873 938207697 /nfs/dbraw/zinc/20/76/97/938207697.db2.gz QXUNKTQXNONVHE-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN C[C@H](NC(=O)CCc1ccccc1F)c1ccccc1O ZINC001557968005 938212810 /nfs/dbraw/zinc/21/28/10/938212810.db2.gz OMNQWUMGPCPLJG-LBPRGKRZSA-N 0 0 287.334 3.341 20 10 CGCDRN CCN(OC)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001558436730 938215345 /nfs/dbraw/zinc/21/53/45/938215345.db2.gz DYZPZDKYBKPKTP-UHFFFAOYSA-N 0 0 272.348 3.118 20 10 CGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001558455244 938215553 /nfs/dbraw/zinc/21/55/53/938215553.db2.gz KSWVPALZJJEGQP-UHFFFAOYSA-N 0 0 273.307 3.078 20 10 CGCDRN CN(C)c1ccc(CN2CCN(C)c3cc(F)ccc32)cc1 ZINC001559630887 938231349 /nfs/dbraw/zinc/23/13/49/938231349.db2.gz JSAGBSQBQRBYAS-UHFFFAOYSA-N 0 0 299.393 3.348 20 10 CGCDRN CN(C)c1ccc(CN2CCC=C(Cl)C2)cc1 ZINC001559958429 938239873 /nfs/dbraw/zinc/23/98/73/938239873.db2.gz WKEUALKQQAEVFZ-UHFFFAOYSA-N 0 0 250.773 3.081 20 10 CGCDRN CC[C@H]1CO[C@H](C)CN1Cc1c(O)cc(C)cc1Cl ZINC001560726954 938272747 /nfs/dbraw/zinc/27/27/47/938272747.db2.gz LPEKQDFNNBOCLO-NEPJUHHUSA-N 0 0 283.799 3.353 20 10 CGCDRN CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001560802537 938276901 /nfs/dbraw/zinc/27/69/01/938276901.db2.gz XJFVYGMWGQFBTG-MRXNPFEDSA-N 0 0 299.361 3.043 20 10 CGCDRN Cc1ccc(O)c(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000086725367 957977446 /nfs/dbraw/zinc/97/74/46/957977446.db2.gz WQELRDDJCMEJQX-UHFFFAOYSA-N 0 0 285.343 3.031 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(F)c2ncccc2c1 ZINC001566374114 960931616 /nfs/dbraw/zinc/93/16/16/960931616.db2.gz URMXNTPWJUGXIU-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c(O)c1O ZINC001570370609 961948472 /nfs/dbraw/zinc/94/84/72/961948472.db2.gz GONCWKBNQDBAIW-WCFLWFBJSA-N 0 0 291.391 3.351 20 10 CGCDRN C=COc1ccc(NC(=O)NCc2ccc(N)cc2)cc1 ZINC001574961185 962336813 /nfs/dbraw/zinc/33/68/13/962336813.db2.gz VZKNGZACOHAEJQ-UHFFFAOYSA-N 0 0 283.331 3.113 20 10 CGCDRN Nc1ccc(NC(=O)NCc2ccc3cccnc3c2)cc1 ZINC001580449584 962725551 /nfs/dbraw/zinc/72/55/51/962725551.db2.gz OXUMSNKVQRBKHX-UHFFFAOYSA-N 0 0 292.342 3.139 20 10 CGCDRN O=C(Nc1ccns1)c1cc2cc(O)c(O)cc2s1 ZINC001586443827 963105162 /nfs/dbraw/zinc/10/51/62/963105162.db2.gz NLWSPALYWNUANE-UHFFFAOYSA-N 0 0 292.341 3.021 20 10 CGCDRN C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1cc(Cl)ccc1O ZINC001609921862 970607525 /nfs/dbraw/zinc/60/75/25/970607525.db2.gz ZRAYUGAGBDSLSP-GRZMOONWSA-N 0 0 297.782 3.340 20 10 CGCDRN CCC[N@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001595839594 982755648 /nfs/dbraw/zinc/75/56/48/982755648.db2.gz RWHSFRTYRWKIAI-UHFFFAOYSA-N 0 0 273.332 3.085 20 10 CGCDRN CC(C)(CCC(=O)[O-])[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001590665278 990366010 /nfs/dbraw/zinc/36/60/10/990366010.db2.gz AHKVDZRFYNTIFY-UHFFFAOYSA-N 0 0 290.407 3.020 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cc(C(=O)[O-])ccc1O ZINC001593353624 994982585 /nfs/dbraw/zinc/98/25/85/994982585.db2.gz CBDVETORZBVKHW-TVYUQYBPSA-N 0 0 281.327 3.022 20 10 CGCDRN C[C@@H](c1ccccc1)[N@H+](CCC(=O)[O-])Cc1ccccc1O ZINC001593709676 996206302 /nfs/dbraw/zinc/20/63/02/996206302.db2.gz AVDHYGTXMGFORE-AWEZNQCLSA-N 0 0 299.370 3.430 20 10 CGCDRN CN(C)c1ccc(CNC(C)(C)c2nccs2)cc1 ZINC000116380441 370558200 /nfs/dbraw/zinc/55/82/00/370558200.db2.gz VQFGQEYOXBYXMZ-UHFFFAOYSA-N 0 0 275.421 3.234 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000287257043 371630084 /nfs/dbraw/zinc/63/00/84/371630084.db2.gz ZTYZHXOZWAEYOI-OASPWFOLSA-N 0 0 285.334 3.015 20 10 CGCDRN CC(C)c1scnc1NC(=O)NCc1ccccc1O ZINC000288679287 371742840 /nfs/dbraw/zinc/74/28/40/371742840.db2.gz BCFYBXWJFOTMRF-UHFFFAOYSA-N 0 0 291.376 3.294 20 10 CGCDRN CCc1nc(C)c(CNCc2ccc(OC)c(C)c2)o1 ZINC000291773654 372174002 /nfs/dbraw/zinc/17/40/02/372174002.db2.gz NYUFGHMFRINAEU-UHFFFAOYSA-N 0 0 274.364 3.152 20 10 CGCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293562890 372411125 /nfs/dbraw/zinc/41/11/25/372411125.db2.gz IFGDOEDIVCWALX-JTQLQIEISA-N 0 0 287.762 3.232 20 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3.220 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000296384278 373114138 /nfs/dbraw/zinc/11/41/38/373114138.db2.gz JTDOWPGSXYJEEW-JSGCOSHPSA-N 0 0 267.344 3.140 20 10 CGCDRN Nc1ccc(CNC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000297229791 373260508 /nfs/dbraw/zinc/26/05/08/373260508.db2.gz OTNDODIGNPLMAE-INIZCTEOSA-N 0 0 294.398 3.395 20 10 CGCDRN CCCCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298290426 373294462 /nfs/dbraw/zinc/29/44/62/373294462.db2.gz DVOZZRYRBDZTRX-UHFFFAOYSA-N 0 0 285.391 3.361 20 10 CGCDRN Cc1cc(C(=O)N2CC[C@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000176985944 373646517 /nfs/dbraw/zinc/64/65/17/373646517.db2.gz MJJLIVMGQIGAOK-GXTWGEPZSA-N 0 0 297.402 3.360 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCC([NH2+]C(C)C)CC2)c1O ZINC000179965234 373948195 /nfs/dbraw/zinc/94/81/95/373948195.db2.gz RNTDWHKVDKRJBL-UHFFFAOYSA-N 0 0 296.842 3.316 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCS1 ZINC000180312424 373988822 /nfs/dbraw/zinc/98/88/22/373988822.db2.gz FSHYKDOLNTUWKS-CYBMUJFWSA-N 0 0 251.395 3.028 20 10 CGCDRN CC(C)CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181183200 374090848 /nfs/dbraw/zinc/09/08/48/374090848.db2.gz FILMNKLTCKANIE-GQCTYLIASA-N 0 0 289.375 3.054 20 10 CGCDRN C/C=C/C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000185818535 374744670 /nfs/dbraw/zinc/74/46/70/374744670.db2.gz YDPUBHXCSLFVBE-KXMPLOMGSA-N 0 0 290.190 3.116 20 10 CGCDRN CC[C@@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C ZINC000186395404 374844808 /nfs/dbraw/zinc/84/48/08/374844808.db2.gz YZZDVKRNIUUYFI-JSGCOSHPSA-N 0 0 293.407 3.217 20 10 CGCDRN C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(F)c(F)c1[O-] ZINC000191188612 375593287 /nfs/dbraw/zinc/59/32/87/375593287.db2.gz VHICPKVVQQHHSB-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN CCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000267224206 378033474 /nfs/dbraw/zinc/03/34/74/378033474.db2.gz XFZLLHQPEWDNSB-UHFFFAOYSA-N 0 0 272.392 3.093 20 10 CGCDRN COc1ccc(N(C)CCC(F)(F)F)c(OC)c1 ZINC000269795053 378267407 /nfs/dbraw/zinc/26/74/07/378267407.db2.gz HLRWDBKNMMNMOD-UHFFFAOYSA-N 0 0 263.259 3.092 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC000272311680 378609798 /nfs/dbraw/zinc/60/97/98/378609798.db2.gz RRAHPDHSTSFFND-UHFFFAOYSA-N 0 0 288.366 3.229 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000273406761 378746069 /nfs/dbraw/zinc/74/60/69/378746069.db2.gz ONYOMVFNOQAACM-QWRGUYRKSA-N 0 0 287.319 3.107 20 10 CGCDRN CSC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273557751 378751628 /nfs/dbraw/zinc/75/16/28/378751628.db2.gz HGNNACWZQNOUTC-SECBINFHSA-N 0 0 284.381 3.093 20 10 CGCDRN CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273612691 378756442 /nfs/dbraw/zinc/75/64/42/378756442.db2.gz WQSVXYJFEUJEKT-VZJVUDMVSA-N 0 0 267.344 3.140 20 10 CGCDRN COc1cc(N(C)CCCCCF)cc(OC)c1OC ZINC000283976665 380111566 /nfs/dbraw/zinc/11/15/66/380111566.db2.gz FOEUNFYNHXSDOL-UHFFFAOYSA-N 0 0 285.359 3.288 20 10 CGCDRN CC[C@@H]([NH2+]CCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000286153002 380166880 /nfs/dbraw/zinc/16/68/80/380166880.db2.gz PLMRFQGZKFYJRR-CQSZACIVSA-N 0 0 289.354 3.079 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(F)cc1[O-] ZINC000286153160 380167702 /nfs/dbraw/zinc/16/77/02/380167702.db2.gz PNFWABLJFXZUDB-UKRRQHHQSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000285522866 380150495 /nfs/dbraw/zinc/15/04/95/380150495.db2.gz BGMDPYPBMACWES-CLWVCHIJSA-N 0 0 293.382 3.386 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000285518121 380150992 /nfs/dbraw/zinc/15/09/92/380150992.db2.gz BAYBGSMUGNCNBI-OCCSQVGLSA-N 0 0 267.344 3.141 20 10 CGCDRN CC[C@@H]([NH2+]CCCn1ccnc1C)c1ccc(F)cc1[O-] ZINC000286370941 380203906 /nfs/dbraw/zinc/20/39/06/380203906.db2.gz ZOQBLQSDJBVVRU-OAHLLOKOSA-N 0 0 291.370 3.167 20 10 CGCDRN COc1ccc(N(C)CCc2csc(C)n2)c(OC)c1 ZINC000131618647 392456615 /nfs/dbraw/zinc/45/66/15/392456615.db2.gz POBALDKPMSEROF-UHFFFAOYSA-N 0 0 292.404 3.148 20 10 CGCDRN CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1cccc(Cl)c1[O-] ZINC000287893423 392404885 /nfs/dbraw/zinc/40/48/85/392404885.db2.gz ZDHBEWQNMAYDAS-CYBMUJFWSA-N 0 0 298.814 3.001 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)nc2)c1 ZINC000154250208 392533798 /nfs/dbraw/zinc/53/37/98/392533798.db2.gz GUBZPZBTJNBSST-LLVKDONJSA-N 0 0 258.321 3.277 20 10 CGCDRN Cc1nc(C)c(C)c(NCc2ccc(N(C)C)cc2)n1 ZINC000301434898 392590111 /nfs/dbraw/zinc/59/01/11/392590111.db2.gz IXUJGJOVKFRPRZ-UHFFFAOYSA-N 0 0 270.380 3.080 20 10 CGCDRN CCc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C)n1 ZINC000302046640 392609022 /nfs/dbraw/zinc/60/90/22/392609022.db2.gz LERVFIBWJKXKSJ-UHFFFAOYSA-N 0 0 288.370 3.165 20 10 CGCDRN Cc1ccc(C(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c(O)c1O ZINC000177686538 392666070 /nfs/dbraw/zinc/66/60/70/392666070.db2.gz MFMUNSOJDVZYPX-SCRDCRAPSA-N 0 0 289.375 3.199 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000230694413 393024910 /nfs/dbraw/zinc/02/49/10/393024910.db2.gz RZRFHYKXWSPCNZ-VIFPVBQESA-N 0 0 282.796 3.395 20 10 CGCDRN Cc1noc(C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348701357 393127548 /nfs/dbraw/zinc/12/75/48/393127548.db2.gz QOYZZPHYDMCGJX-UHFFFAOYSA-N 0 0 297.358 3.022 20 10 CGCDRN CCOc1ccc(N(CC)CCCCOC)cc1 ZINC000735490377 572726456 /nfs/dbraw/zinc/72/64/56/572726456.db2.gz IOIOJXBFJFOMLD-UHFFFAOYSA-N 0 0 251.370 3.338 20 10 CGCDRN Cc1cc(C(=O)NCc2c(C)c3ccccc3n2C)co1 ZINC000348631898 226497556 /nfs/dbraw/zinc/49/75/56/226497556.db2.gz AENOMHDSCKVITM-UHFFFAOYSA-N 0 0 282.343 3.318 20 10 CGCDRN CC(C)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000079299450 260175679 /nfs/dbraw/zinc/17/56/79/260175679.db2.gz HJUYTUURJVAQAT-OAHLLOKOSA-N 0 0 274.408 3.096 20 10 CGCDRN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1nccs1 ZINC000080265224 260179311 /nfs/dbraw/zinc/17/93/11/260179311.db2.gz OYWAKEKEPVNGBH-GFCCVEGCSA-N 0 0 287.432 3.376 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCOC1 ZINC000093840019 260332073 /nfs/dbraw/zinc/33/20/73/260332073.db2.gz LRAIZSVCEYKJTK-VIFPVBQESA-N 0 0 290.190 3.167 20 10 CGCDRN COc1cccc(CNC(=O)C=C2CCC(C)CC2)c1O ZINC000155733234 261106726 /nfs/dbraw/zinc/10/67/26/261106726.db2.gz WHMDJXWFBBSVCD-UHFFFAOYSA-N 0 0 289.375 3.154 20 10 CGCDRN Cc1nc(-c2cccc(NCc3cc(C)ccc3O)c2)n[nH]1 ZINC000103855694 261335855 /nfs/dbraw/zinc/33/58/55/261335855.db2.gz IPMSGFNTMFDBMW-UHFFFAOYSA-N 0 0 294.358 3.406 20 10 CGCDRN COCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184841012 262030936 /nfs/dbraw/zinc/03/09/36/262030936.db2.gz BHEAPGVMOUKKIO-QMMMGPOBSA-N 0 0 278.179 3.386 20 10 CGCDRN CC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CCCC1 ZINC000184990797 262036983 /nfs/dbraw/zinc/03/69/83/262036983.db2.gz RNSJATYOZASZHU-TZMCWYRMSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185435223 262054029 /nfs/dbraw/zinc/05/40/29/262054029.db2.gz YXZOZLFNXISRIK-YVEFUNNKSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186124528 262080980 /nfs/dbraw/zinc/08/09/80/262080980.db2.gz RYZIBIODJNVHAE-PXAZEXFGSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cnn(CC(F)F)c2)c(O)c1 ZINC000186341769 262089752 /nfs/dbraw/zinc/08/97/52/262089752.db2.gz LUTTWZWJIKHNRS-SNVBAGLBSA-N 0 0 281.306 3.335 20 10 CGCDRN COc1ccc(O)c([C@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000186161883 262312343 /nfs/dbraw/zinc/31/23/43/262312343.db2.gz KPHSFWASUNJPRK-NSHDSACASA-N 0 0 261.365 3.242 20 10 CGCDRN CC[C@H]([NH2+]CC1(C)OCCCO1)c1cccc(Cl)c1[O-] ZINC000287729922 288036928 /nfs/dbraw/zinc/03/69/28/288036928.db2.gz PCLGLFXCLPYRHE-ZDUSSCGKSA-N 0 0 299.798 3.239 20 10 CGCDRN Cc1ccc(O)c(CN2CCOCc3ccccc32)c1 ZINC000291005198 278835801 /nfs/dbraw/zinc/83/58/01/278835801.db2.gz BFISKZCOWWBXLA-UHFFFAOYSA-N 0 0 269.344 3.237 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CCCC[C@H](C)C2)cc1OC ZINC000302488587 295026743 /nfs/dbraw/zinc/02/67/43/295026743.db2.gz ZHQFDFJMBGJZEM-NSHDSACASA-N 0 0 294.351 3.238 20 10 CGCDRN O=C(NCc1ccccc1O)NC1CC(c2ccccc2)C1 ZINC000264008107 328156571 /nfs/dbraw/zinc/15/65/71/328156571.db2.gz GWVPPKALTUUTLF-UHFFFAOYSA-N 0 0 296.370 3.138 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(F)cc2)s1 ZINC000112237725 328392334 /nfs/dbraw/zinc/39/23/34/328392334.db2.gz IHLFGWIYRKDMKA-BQYQJAHWSA-N 0 0 276.336 3.267 20 10 CGCDRN CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000255094766 326941249 /nfs/dbraw/zinc/94/12/49/326941249.db2.gz VPVZSOANFSRMDU-KTKRTIGZSA-N 0 0 297.314 3.056 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]2CCCO[C@H]21 ZINC000360037583 329070391 /nfs/dbraw/zinc/07/03/91/329070391.db2.gz DPAJKOSZSMUBRB-KCPJHIHWSA-N 0 0 295.810 3.339 20 10 CGCDRN Cc1ccc(N(C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000180665322 329221789 /nfs/dbraw/zinc/22/17/89/329221789.db2.gz AHLJPSOERKXTDR-UHFFFAOYSA-N 0 0 278.359 3.417 20 10 CGCDRN Cc1cc(C)n(CCC[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000164419714 331225885 /nfs/dbraw/zinc/22/58/85/331225885.db2.gz SYTIAUJYSPRFDR-UHFFFAOYSA-N 0 0 293.798 3.039 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2S1 ZINC000492112428 332383299 /nfs/dbraw/zinc/38/32/99/332383299.db2.gz UFMXDNOUYJFDHR-SYTKJHMZSA-N 0 0 297.383 3.017 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc(Cl)cn2)cn1 ZINC000492502442 332400613 /nfs/dbraw/zinc/40/06/13/332400613.db2.gz LXKMLDWDACVHHD-VMPITWQZSA-N 0 0 287.750 3.115 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cc(F)ccc1F ZINC000186430685 333160626 /nfs/dbraw/zinc/16/06/26/333160626.db2.gz GVTBLPRATAHPDU-AATRIKPKSA-N 0 0 294.326 3.406 20 10 CGCDRN CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccc1O ZINC000229546841 333306169 /nfs/dbraw/zinc/30/61/69/333306169.db2.gz XAASXKTYYZPYGC-HNNXBMFYSA-N 0 0 264.413 3.163 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529648677 333503777 /nfs/dbraw/zinc/50/37/77/333503777.db2.gz GIFTVDVFJQXVGT-UHFFFAOYSA-N 0 0 295.741 3.452 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)C(C)(F)F ZINC000352079586 533971386 /nfs/dbraw/zinc/97/13/86/533971386.db2.gz MPOCSTOKMGMVCT-NSHDSACASA-N 0 0 294.345 3.394 20 10 CGCDRN CC(C)(C)CCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000287289000 518640468 /nfs/dbraw/zinc/64/04/68/518640468.db2.gz MDTVJYVAXBGSSB-UHFFFAOYSA-N 0 0 293.407 3.363 20 10 CGCDRN CC(C)CCC[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000040314273 519643949 /nfs/dbraw/zinc/64/39/49/519643949.db2.gz JHLVBPKZRJIFRS-CYBMUJFWSA-N 0 0 262.397 3.142 20 10 CGCDRN CC(C)c1noc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000265567226 519906714 /nfs/dbraw/zinc/90/67/14/519906714.db2.gz DLTFTLNUUAYEMG-UHFFFAOYSA-N 0 0 278.331 3.010 20 10 CGCDRN CC/C=C(\C)C(=O)N(CCC)Cc1ccccc1O ZINC000268649179 520186101 /nfs/dbraw/zinc/18/61/01/520186101.db2.gz QYGIMUBTQODMIU-MDWZMJQESA-N 0 0 261.365 3.487 20 10 CGCDRN CCCCN(Cc1ccccc1O)[C@H](C)c1noc(C)n1 ZINC000289457449 520548649 /nfs/dbraw/zinc/54/86/49/520548649.db2.gz VKPFDHLJOALGNZ-GFCCVEGCSA-N 0 0 289.379 3.447 20 10 CGCDRN CCCSCC(=O)N(CCC)Cc1ccccc1O ZINC000264063135 520548663 /nfs/dbraw/zinc/54/86/63/520548663.db2.gz JOZRELMZZSDWGZ-UHFFFAOYSA-N 0 0 281.421 3.274 20 10 CGCDRN CCCC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000292042715 521141542 /nfs/dbraw/zinc/14/15/42/521141542.db2.gz ROOGANSRBXAMSD-NSHDSACASA-N 0 0 265.353 3.057 20 10 CGCDRN CCCc1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000264573057 521577118 /nfs/dbraw/zinc/57/71/18/521577118.db2.gz ACHPEINSNLPCPA-RMKNXTFCSA-N 0 0 299.374 3.029 20 10 CGCDRN CC[C@@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000068489273 521851606 /nfs/dbraw/zinc/85/16/06/521851606.db2.gz DBBFYRJXCMGHCI-OAHLLOKOSA-N 0 0 299.370 3.211 20 10 CGCDRN CN(C)c1ccc(CNc2ccn(C)n2)c(C(F)(F)F)c1 ZINC000280310584 522215419 /nfs/dbraw/zinc/21/54/19/522215419.db2.gz OQPKKDFPWVIUQF-UHFFFAOYSA-N 0 0 298.312 3.117 20 10 CGCDRN COC(=O)c1cnc(SCC2CC(F)(F)C2)s1 ZINC000294928990 522343137 /nfs/dbraw/zinc/34/31/37/522343137.db2.gz CUGQEJFPEWFKJN-UHFFFAOYSA-N 0 0 279.333 3.067 20 10 CGCDRN CC[C@@H](Sc1nccs1)C(=O)OC(C)(C)C ZINC000187911456 523087073 /nfs/dbraw/zinc/08/70/73/523087073.db2.gz AVPKORGVNMCIBR-MRVPVSSYSA-N 0 0 259.396 3.356 20 10 CGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1CCC(CO)CC1 ZINC000290421610 523305763 /nfs/dbraw/zinc/30/57/63/523305763.db2.gz KUHYNNODPGHZPN-UHFFFAOYSA-N 0 0 283.799 3.029 20 10 CGCDRN COc1ccc(N(C)Cc2csc(Cl)n2)c(OC)c1 ZINC000290153455 524354901 /nfs/dbraw/zinc/35/49/01/524354901.db2.gz WUNDWVHSDFTZBW-UHFFFAOYSA-N 0 0 298.795 3.450 20 10 CGCDRN Cc1cc(C)cc(C2(C(=O)NCc3ccccc3O)CC2)c1 ZINC000299612538 524371713 /nfs/dbraw/zinc/37/17/13/524371713.db2.gz XSYBSTUTJSNQFO-UHFFFAOYSA-N 0 0 295.382 3.357 20 10 CGCDRN C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747588 524607364 /nfs/dbraw/zinc/60/73/64/524607364.db2.gz XRHAAGIZRIFOOR-STQMWFEESA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062746790 524928148 /nfs/dbraw/zinc/92/81/48/524928148.db2.gz KQSRSPLLAXPHIK-QWRGUYRKSA-N 0 0 263.312 3.406 20 10 CGCDRN COc1ccc([C@H](C)N(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000237241912 525297564 /nfs/dbraw/zinc/29/75/64/525297564.db2.gz KDDJRFOTARCJTN-ZDUSSCGKSA-N 0 0 298.386 3.040 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)c(F)c1[O-] ZINC000187760263 525637491 /nfs/dbraw/zinc/63/74/91/525637491.db2.gz QTONEMVEKFFMJR-WGEPELCKSA-N 0 0 297.345 3.279 20 10 CGCDRN Cc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)o1 ZINC000292381005 525961800 /nfs/dbraw/zinc/96/18/00/525961800.db2.gz UIYCSOGYSSLYAB-XFFZJAGNSA-N 0 0 279.386 3.342 20 10 CGCDRN Cc1ccc(C(=O)N(Cc2ccco2)C(C)C)c(O)c1O ZINC000272887184 526076418 /nfs/dbraw/zinc/07/64/18/526076418.db2.gz YRJDRUICENONKU-UHFFFAOYSA-N 0 0 289.331 3.050 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290363270 526328295 /nfs/dbraw/zinc/32/82/95/526328295.db2.gz AAVCIAWGKHNISM-GDBMZVCRSA-N 0 0 291.366 3.065 20 10 CGCDRN Fc1ccc(COc2ccc(N3CCCC3)cc2)nc1 ZINC000276087765 526344002 /nfs/dbraw/zinc/34/40/02/526344002.db2.gz PVBVNMZBUJFKIT-UHFFFAOYSA-N 0 0 272.323 3.400 20 10 CGCDRN Cc1csc([C@@H](C)NCc2ccc3c(c2)CCO3)n1 ZINC000069168175 526413549 /nfs/dbraw/zinc/41/35/49/526413549.db2.gz GEFFTCDXYZRXAO-LLVKDONJSA-N 0 0 274.389 3.237 20 10 CGCDRN CCC[C@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000748638071 572981635 /nfs/dbraw/zinc/98/16/35/572981635.db2.gz CBISHIGSQJQDDF-LBPRGKRZSA-N 0 0 280.387 3.334 20 10 CGCDRN Cc1cc(C(=O)O[C@@H](C)C2CC2)c(C)n1-c1ccccn1 ZINC000729085281 571870663 /nfs/dbraw/zinc/87/06/63/571870663.db2.gz UFPQNHYRCMBECN-ZDUSSCGKSA-N 0 0 284.359 3.444 20 10 CGCDRN COc1cccc(CNC(=O)C[C@H]2CCCC[C@H]2C)c1O ZINC000729860030 571934271 /nfs/dbraw/zinc/93/42/71/571934271.db2.gz PZMASDJLPKBNSR-CHWSQXEVSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(N(C[C@H]2CCOC2)C(C)C)cc1F ZINC000725816117 572416233 /nfs/dbraw/zinc/41/62/33/572416233.db2.gz IOUXWRFOXOLAFJ-GFCCVEGCSA-N 0 0 267.344 3.086 20 10 CGCDRN CCOc1ccc(N(C)Cc2nnc(-c3ccco3)o2)cc1 ZINC000740423971 572441605 /nfs/dbraw/zinc/44/16/05/572441605.db2.gz XPYBXMQYRJBQRL-UHFFFAOYSA-N 0 0 299.330 3.365 20 10 CGCDRN CN(Cc1nc(-c2ccccc2)no1)Cc1ccccc1O ZINC000732202812 572451610 /nfs/dbraw/zinc/45/16/10/572451610.db2.gz FMFZRCZINNANKJ-UHFFFAOYSA-N 0 0 295.342 3.074 20 10 CGCDRN O=C(Nc1cccc(-n2cccc2)c1)C1=CC(=O)CS1 ZINC000732267564 572455864 /nfs/dbraw/zinc/45/58/64/572455864.db2.gz KPZABJAFUYSOJS-UHFFFAOYSA-N 0 0 284.340 3.497 20 10 CGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000732272059 572455912 /nfs/dbraw/zinc/45/59/12/572455912.db2.gz FVYRLVWOKZZFBN-VIFPVBQESA-N 0 0 259.330 3.218 20 10 CGCDRN C[C@H]1CCC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000726236883 572567189 /nfs/dbraw/zinc/56/71/89/572567189.db2.gz GBCYZFQWLQPELT-QWHCGFSZSA-N 0 0 276.380 3.018 20 10 CGCDRN COc1ccc(N(Cc2nonc2C)CC(C)C)cc1 ZINC000734147909 572632107 /nfs/dbraw/zinc/63/21/07/572632107.db2.gz VAGRHTCGLKFLPF-UHFFFAOYSA-N 0 0 275.352 3.049 20 10 CGCDRN CCC/C(C)=C/C(=O)NCc1ccc(N(C)C)cc1C ZINC000734402883 572652352 /nfs/dbraw/zinc/65/23/52/572652352.db2.gz RGNNLBOVDLCWRE-JLHYYAGUSA-N 0 0 274.408 3.424 20 10 CGCDRN Cc1cc(C)cc(C[C@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000743716154 572680163 /nfs/dbraw/zinc/68/01/63/572680163.db2.gz DNDBICVTCLEKNW-LBPRGKRZSA-N 0 0 289.400 3.432 20 10 CGCDRN Oc1ccccc1CNc1cnc2cc(F)c(F)cc2n1 ZINC000736287718 572778881 /nfs/dbraw/zinc/77/88/81/572778881.db2.gz VMHMMMIUVINUJS-UHFFFAOYSA-N 0 0 287.269 3.226 20 10 CGCDRN Cc1ccc(NC(=S)NCc2cccc(F)n2)cc1F ZINC000747720132 572942919 /nfs/dbraw/zinc/94/29/19/572942919.db2.gz DQNDNMNZBOABIR-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CCc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000748438583 572976761 /nfs/dbraw/zinc/97/67/61/572976761.db2.gz LXLXBHNZFKQDFI-UHFFFAOYSA-N 0 0 270.332 3.276 20 10 CGCDRN CCc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000748438629 572976800 /nfs/dbraw/zinc/97/68/00/572976800.db2.gz OHCHXYJSIWGVCI-UHFFFAOYSA-N 0 0 270.332 3.276 20 10 CGCDRN O=C(NCCC1CCCCC1)NCc1ccccc1O ZINC000748461336 572978078 /nfs/dbraw/zinc/97/80/78/572978078.db2.gz VUXXCFHBGUNDBP-UHFFFAOYSA-N 0 0 276.380 3.162 20 10 CGCDRN CCS[C@@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000748857667 572986916 /nfs/dbraw/zinc/98/69/16/572986916.db2.gz DUEBLSGJHBXZHR-GXSJLCMTSA-N 0 0 285.434 3.248 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc[nH]c2C)cc1 ZINC000749880209 573049651 /nfs/dbraw/zinc/04/96/51/573049651.db2.gz XSTOQEDXMKFFLZ-UHFFFAOYSA-N 0 0 299.418 3.442 20 10 CGCDRN COc1ccc(O)c(CNc2ncc(Cl)cc2F)c1 ZINC000750792055 573180087 /nfs/dbraw/zinc/18/00/87/573180087.db2.gz YEQWVVRQFMKYBD-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC=CCC1 ZINC000890757517 617814659 /nfs/dbraw/zinc/81/46/59/617814659.db2.gz GUGITXVEFWFJBI-SNVBAGLBSA-N 0 0 265.740 3.018 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCC(F)(F)C1 ZINC000890759838 617816491 /nfs/dbraw/zinc/81/64/91/617816491.db2.gz RWDIQRGXGRTVFL-MRVPVSSYSA-N 0 0 289.709 3.097 20 10 CGCDRN CCCC[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890759866 617816797 /nfs/dbraw/zinc/81/67/97/617816797.db2.gz SVLBVMWDSOLDIV-JTQLQIEISA-N 0 0 269.772 3.488 20 10 CGCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761061 617817103 /nfs/dbraw/zinc/81/71/03/617817103.db2.gz JRFFWUUQXXLSSI-JQWIXIFHSA-N 0 0 281.783 3.488 20 10 CGCDRN Nc1ccc(Cc2noc(CCCC(F)(F)F)n2)cc1 ZINC000843160044 617955900 /nfs/dbraw/zinc/95/59/00/617955900.db2.gz UTLSKWUERAHXNJ-UHFFFAOYSA-N 0 0 285.269 3.128 20 10 CGCDRN CC(C)[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000304062289 618046589 /nfs/dbraw/zinc/04/65/89/618046589.db2.gz QKLACTLPDCTIOS-CYBMUJFWSA-N 0 0 292.206 3.196 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2ccco2)c1O ZINC000050133937 618054041 /nfs/dbraw/zinc/05/40/41/618054041.db2.gz XARGIAREAMQEDM-UHFFFAOYSA-N 0 0 293.750 3.473 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000245567651 618166236 /nfs/dbraw/zinc/16/62/36/618166236.db2.gz UPPGBMOENXYHHQ-MFKMUULPSA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000248493086 618166931 /nfs/dbraw/zinc/16/69/31/618166931.db2.gz JUVNBZYJSDYGFY-LSCVPOLPSA-N 0 0 267.344 3.138 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cnn(C2CCC2)c1 ZINC000891405520 618189441 /nfs/dbraw/zinc/18/94/41/618189441.db2.gz DGPOJELNWOKHCF-UHFFFAOYSA-N 0 0 283.375 3.179 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cc(C(F)F)ncn2)cc1 ZINC000891564863 618239095 /nfs/dbraw/zinc/23/90/95/618239095.db2.gz FJXBFIMPBAGXHL-UHFFFAOYSA-N 0 0 292.333 3.117 20 10 CGCDRN CN(C)CC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000308612265 618247320 /nfs/dbraw/zinc/24/73/20/618247320.db2.gz DSTAGJDSCCSSTN-UHFFFAOYSA-N 0 0 291.222 3.129 20 10 CGCDRN CCC(C)(C)OCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000308744849 618385304 /nfs/dbraw/zinc/38/53/04/618385304.db2.gz QVOKUQYXDHQFQJ-ZDUSSCGKSA-N 0 0 263.381 3.174 20 10 CGCDRN CCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000176189026 618405876 /nfs/dbraw/zinc/40/58/76/618405876.db2.gz IXQCOBBNBRHADF-UHFFFAOYSA-N 0 0 287.403 3.468 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840877062 618755915 /nfs/dbraw/zinc/75/59/15/618755915.db2.gz WWKBEUCCUJERDS-OASPWFOLSA-N 0 0 282.315 3.232 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)c(O)c1O ZINC000179398908 618781642 /nfs/dbraw/zinc/78/16/42/618781642.db2.gz RAKYFPJMTFRVIN-LBPRGKRZSA-N 0 0 285.343 3.239 20 10 CGCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C\c1cccnc1 ZINC000255892485 618865117 /nfs/dbraw/zinc/86/51/17/618865117.db2.gz JDATXESZJMYIDW-IQCBXXCUSA-N 0 0 294.354 3.217 20 10 CGCDRN CC(=O)c1cc(F)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC000314262720 618963652 /nfs/dbraw/zinc/96/36/52/618963652.db2.gz HTVKRYYHQNKDDD-STQMWFEESA-N 0 0 291.366 3.356 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c(O)c1 ZINC000185227544 619059014 /nfs/dbraw/zinc/05/90/14/619059014.db2.gz GDJRIWAHMNTUNO-HOTGVXAUSA-N 0 0 290.451 3.472 20 10 CGCDRN C[C@H]1C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000072622128 625317354 /nfs/dbraw/zinc/31/73/54/625317354.db2.gz QCAINIKSLYQKGT-WFASDCNBSA-N 0 0 285.343 3.170 20 10 CGCDRN CC(C)C(CNC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000194377802 619139500 /nfs/dbraw/zinc/13/95/00/619139500.db2.gz DSLVBDGCWFFGNN-UHFFFAOYSA-N 0 0 292.423 3.462 20 10 CGCDRN CCc1ccc(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000198264190 619160136 /nfs/dbraw/zinc/16/01/36/619160136.db2.gz PQEZRBUQVRHAQX-UHFFFAOYSA-N 0 0 288.416 3.307 20 10 CGCDRN CN(C(=O)[C@H]1CCCc2ccccc21)c1ccc(N)cc1 ZINC000054668416 619183215 /nfs/dbraw/zinc/18/32/15/619183215.db2.gz DTZIODSQBBCFAV-KRWDZBQOSA-N 0 0 280.371 3.352 20 10 CGCDRN CN(Cc1nc(C(C)(C)C)co1)c1ccc2c(c1)OCO2 ZINC000893461673 619183342 /nfs/dbraw/zinc/18/33/42/619183342.db2.gz PESSATDYWFUIEU-UHFFFAOYSA-N 0 0 288.347 3.337 20 10 CGCDRN COc1ccc(CN(C)c2ccc(OC)c(F)c2)o1 ZINC000893463514 619183609 /nfs/dbraw/zinc/18/36/09/619183609.db2.gz FRHXTEVKXDTXSX-UHFFFAOYSA-N 0 0 265.284 3.072 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(F)c(C)c2)cc1F ZINC000893463462 619183663 /nfs/dbraw/zinc/18/36/63/619183663.db2.gz FICCYTMETCSDIF-UHFFFAOYSA-N 0 0 278.302 3.313 20 10 CGCDRN COc1cc(Cl)cc(CN2C[C@H](C)OC(C)(C)C2)c1O ZINC000184683594 619219814 /nfs/dbraw/zinc/21/98/14/619219814.db2.gz SSVROCNIMBFCPL-JTQLQIEISA-N 0 0 299.798 3.054 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(C)(C)C(F)F ZINC000840941385 619233499 /nfs/dbraw/zinc/23/34/99/619233499.db2.gz VUQAFGNGRKXWRX-UHFFFAOYSA-N 0 0 256.340 3.194 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)c2ccccc2n1 ZINC000318809884 619276936 /nfs/dbraw/zinc/27/69/36/619276936.db2.gz TTYDZACWCUYSFH-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000877662223 619414789 /nfs/dbraw/zinc/41/47/89/619414789.db2.gz OBWAXGBMNIUZBP-VIFPVBQESA-N 0 0 289.803 3.418 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CC1 ZINC000048667501 619518190 /nfs/dbraw/zinc/51/81/90/619518190.db2.gz VROKUMDICZZLSS-UHFFFAOYSA-N 0 0 260.362 3.048 20 10 CGCDRN CSC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894852396 619652243 /nfs/dbraw/zinc/65/22/43/619652243.db2.gz PPXFFXZMHGGCLQ-JTQLQIEISA-N 0 0 287.375 3.245 20 10 CGCDRN Cc1cc(C(=O)N2CCC2)c(C)n1-c1cccc(C)c1 ZINC000072853630 625361496 /nfs/dbraw/zinc/36/14/96/625361496.db2.gz RXCSKYGOJLFNFD-UHFFFAOYSA-N 0 0 268.360 3.248 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)c(C)s2)c(OC)c1 ZINC000179004761 619734731 /nfs/dbraw/zinc/73/47/31/619734731.db2.gz BUVYOTPCGNTUBS-UHFFFAOYSA-N 0 0 292.404 3.414 20 10 CGCDRN COc1cc(C)cc(CN[C@@H](C)c2cscn2)c1O ZINC000895253438 619791425 /nfs/dbraw/zinc/79/14/25/619791425.db2.gz FSFDCGARFHTIGQ-JTQLQIEISA-N 0 0 278.377 3.017 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CC[C@@H]2C(F)F)cc1 ZINC000895430771 619825210 /nfs/dbraw/zinc/82/52/10/619825210.db2.gz HARPCENGUJNKGT-VQTKUKTRSA-N 0 0 266.335 3.105 20 10 CGCDRN Cc1cc(O)c(CN2CC[C@H]2C(F)F)c(Cl)c1 ZINC000895431613 619825447 /nfs/dbraw/zinc/82/54/47/619825447.db2.gz NQMQYKBXRMOWAH-JTQLQIEISA-N 0 0 261.699 3.193 20 10 CGCDRN CCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895432035 619825665 /nfs/dbraw/zinc/82/56/65/619825665.db2.gz ZPEHVRFPJQOUDP-UHFFFAOYSA-N 0 0 279.361 3.233 20 10 CGCDRN COc1cc(C)cc(CN2Cc3cccc(O)c3C2)c1OC ZINC000895449677 619831074 /nfs/dbraw/zinc/83/10/74/619831074.db2.gz NMDZUKKBUJDXEJ-UHFFFAOYSA-N 0 0 299.370 3.234 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN(C)Cc1ccns1 ZINC000895452537 619832480 /nfs/dbraw/zinc/83/24/80/619832480.db2.gz OJEIIEIKGYULJW-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185544977 625374732 /nfs/dbraw/zinc/37/47/32/625374732.db2.gz XXTPGGNFNGGZQB-GFCCVEGCSA-N 0 0 291.370 3.167 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585574 619855244 /nfs/dbraw/zinc/85/52/44/619855244.db2.gz ZCHUEHOPKJYVMD-SECBINFHSA-N 0 0 296.342 3.116 20 10 CGCDRN COc1ccc(O)c(CNc2cnc(C)c(C)c2)c1 ZINC000895645022 619863932 /nfs/dbraw/zinc/86/39/32/619863932.db2.gz KGCJPXYFVMZUAX-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895867807 619899666 /nfs/dbraw/zinc/89/96/66/619899666.db2.gz HVDWZNVYVOGXOY-UHFFFAOYSA-N 0 0 295.810 3.221 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(C2CC2)CC1 ZINC000895940043 619912906 /nfs/dbraw/zinc/91/29/06/619912906.db2.gz FIFXJHQWYFRTMO-UHFFFAOYSA-N 0 0 298.430 3.483 20 10 CGCDRN C[C@@H](CCc1ccco1)[NH2+]Cc1c([O-])cccc1F ZINC000896637671 620041558 /nfs/dbraw/zinc/04/15/58/620041558.db2.gz PYAVDCDTVIHVHT-NSHDSACASA-N 0 0 263.312 3.235 20 10 CGCDRN C[C@]1(C(=O)NCc2c(O)cccc2F)CCc2ccccc21 ZINC000928705920 620207899 /nfs/dbraw/zinc/20/78/99/620207899.db2.gz MORZBZJNTJCYAI-SFHVURJKSA-N 0 0 299.345 3.052 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000897387018 620279955 /nfs/dbraw/zinc/27/99/55/620279955.db2.gz ALFDRLIIBMHWJU-CQSZACIVSA-N 0 0 299.773 3.376 20 10 CGCDRN CSCc1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000237387791 620372970 /nfs/dbraw/zinc/37/29/70/620372970.db2.gz DFIKAHAKHABMQD-UHFFFAOYSA-N 0 0 272.373 3.384 20 10 CGCDRN C[C@@H](NC(=O)C[C@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000899181602 620623637 /nfs/dbraw/zinc/62/36/37/620623637.db2.gz HAGVJIUZHXMNBE-CHWSQXEVSA-N 0 0 289.375 3.061 20 10 CGCDRN FC(F)(F)[C@H](Sc1nccs1)[C@H]1CCOC1 ZINC000901477016 620891929 /nfs/dbraw/zinc/89/19/29/620891929.db2.gz MPZTWHPJBJKNNL-NKWVEPMBSA-N 0 0 269.313 3.203 20 10 CGCDRN Oc1ccc(Cl)c(F)c1CNc1nccnc1C1CC1 ZINC000902165491 621180962 /nfs/dbraw/zinc/18/09/62/621180962.db2.gz CMGYFPMXTMVGTC-UHFFFAOYSA-N 0 0 293.729 3.464 20 10 CGCDRN CCOc1ccc(CNc2noc3c2CCCC3)c(O)c1 ZINC000902277227 621240129 /nfs/dbraw/zinc/24/01/29/621240129.db2.gz IPFFPYVMJKLFQZ-UHFFFAOYSA-N 0 0 288.347 3.270 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(F)F)cc1 ZINC000073161037 625478247 /nfs/dbraw/zinc/47/82/47/625478247.db2.gz HULXZGDCWMOJIT-UHFFFAOYSA-N 0 0 278.302 3.089 20 10 CGCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(N)cc1 ZINC000042611257 621350000 /nfs/dbraw/zinc/35/00/00/621350000.db2.gz IPYGBUNLJDEGEQ-SMDDNHRTSA-N 0 0 261.369 3.311 20 10 CGCDRN CCc1cnc(NCc2ccc(N(C)C)cc2)s1 ZINC000185969113 625499521 /nfs/dbraw/zinc/49/95/21/625499521.db2.gz RFVUMRJZPVZALC-UHFFFAOYSA-N 0 0 261.394 3.384 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccc(F)cc1[O-] ZINC000903332973 621706963 /nfs/dbraw/zinc/70/69/63/621706963.db2.gz WRHGBNWULQXQSG-GWCFXTLKSA-N 0 0 269.360 3.386 20 10 CGCDRN Cc1noc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000042762226 621803962 /nfs/dbraw/zinc/80/39/62/621803962.db2.gz BAIWQXVYEMJLAQ-UHFFFAOYSA-N 0 0 296.330 3.038 20 10 CGCDRN Nc1ccc(Cc2noc(C[C@H]3CCCC3(F)F)n2)cc1 ZINC000904504691 621928430 /nfs/dbraw/zinc/92/84/30/621928430.db2.gz RURGBCZRQLVQGS-LLVKDONJSA-N 0 0 293.317 3.221 20 10 CGCDRN CCN(CC)c1ccc(C=Cc2ncc(OC)c(=O)[nH]2)cc1 ZINC000905077026 622037507 /nfs/dbraw/zinc/03/75/07/622037507.db2.gz PSLBXEXOBSMZNX-DHZHZOJOSA-N 0 0 299.374 3.207 20 10 CGCDRN CC1(C)CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000150052796 622442952 /nfs/dbraw/zinc/44/29/52/622442952.db2.gz YRICJMGIGAOPSR-ZDUSSCGKSA-N 0 0 261.369 3.359 20 10 CGCDRN CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910950600 622510259 /nfs/dbraw/zinc/51/02/59/622510259.db2.gz YAZNEXOOKNXHSL-JOCQHMNTSA-N 0 0 291.391 3.176 20 10 CGCDRN COc1ccc(O)c(CNc2ncccc2Cl)c1 ZINC000083480161 625592106 /nfs/dbraw/zinc/59/21/06/625592106.db2.gz ARADHYHOECPXOO-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN Oc1ccccc1CNc1cc(C(F)(F)F)ccn1 ZINC000163770949 622800089 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20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ns1 ZINC000766909939 627370146 /nfs/dbraw/zinc/37/01/46/627370146.db2.gz JHYVMOFCJRQUIK-LLVKDONJSA-N 0 0 289.404 3.009 20 10 CGCDRN C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768143863 627462945 /nfs/dbraw/zinc/46/29/45/627462945.db2.gz PTNFPQJNPQBFII-VIFPVBQESA-N 0 0 284.743 3.328 20 10 CGCDRN C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768272982 627472329 /nfs/dbraw/zinc/47/23/29/627472329.db2.gz XPAYCNFQEWDPQB-YUMQZZPRSA-N 0 0 292.257 3.292 20 10 CGCDRN Cc1cccc2c(NCc3ccccc3O)ncnc12 ZINC000768527500 627483918 /nfs/dbraw/zinc/48/39/18/627483918.db2.gz YDVIMCUJNVFWFW-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN Cc1ccc(/C=C\CC(=O)NCc2ccccc2O)cc1 ZINC000769365188 627545444 /nfs/dbraw/zinc/54/54/44/627545444.db2.gz NXFOAVSCAGTHND-PLNGDYQASA-N 0 0 281.355 3.420 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c(O)c1 ZINC000769515095 627561955 /nfs/dbraw/zinc/56/19/55/627561955.db2.gz 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C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000780579016 628502453 /nfs/dbraw/zinc/50/24/53/628502453.db2.gz YJKSKVVPPCOAHX-KCJUWKMLSA-N 0 0 284.743 3.232 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)cc1F ZINC000781619952 628580398 /nfs/dbraw/zinc/58/03/98/628580398.db2.gz WLXYXYMHZHLFRN-CYBMUJFWSA-N 0 0 292.398 3.334 20 10 CGCDRN C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000875007527 634670367 /nfs/dbraw/zinc/67/03/67/634670367.db2.gz WHWPEHMFNJHSTL-ZDUSSCGKSA-N 0 0 296.370 3.221 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1C ZINC000783539350 628723394 /nfs/dbraw/zinc/72/33/94/628723394.db2.gz BPUSRZIZVQMGQL-BFHYXJOUSA-N 0 0 263.381 3.007 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1CCCc2ccccc21 ZINC000783681712 628738816 /nfs/dbraw/zinc/73/88/16/628738816.db2.gz KGJNXNXUNYUVRJ-CMDGGOBGSA-N 0 0 278.355 3.383 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](F)C(C)C)cc1 ZINC000784034008 628769953 /nfs/dbraw/zinc/76/99/53/628769953.db2.gz 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CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549105 632009217 /nfs/dbraw/zinc/00/92/17/632009217.db2.gz DKVIELYNZMKFAH-XPTSAGLGSA-N 0 0 289.778 3.071 20 10 CGCDRN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554369 632009785 /nfs/dbraw/zinc/00/97/85/632009785.db2.gz WTZIALRYADSWIQ-ONGXEEELSA-N 0 0 289.778 3.071 20 10 CGCDRN CSCC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552707 632010242 /nfs/dbraw/zinc/01/02/42/632010242.db2.gz TWVAGPXAIMEGAU-QMMMGPOBSA-N 0 0 277.792 3.416 20 10 CGCDRN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816556162 632011504 /nfs/dbraw/zinc/01/15/04/632011504.db2.gz BMWDSVSFQISLPI-VHSXEESVSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCOC1 ZINC000816566011 632014409 /nfs/dbraw/zinc/01/44/09/632014409.db2.gz IUURDUYQBJYOEL-NXEZZACHSA-N 0 0 287.762 3.089 20 10 CGCDRN CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000816574471 632015747 /nfs/dbraw/zinc/01/57/47/632015747.db2.gz 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CGCDRN C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(F)cc1[O-] ZINC000866530029 633175723 /nfs/dbraw/zinc/17/57/23/633175723.db2.gz VSXBYAAZOXKRKE-STQMWFEESA-N 0 0 293.382 3.389 20 10 CGCDRN CC[C@@H](NCc1cc(Cl)cc(C)c1O)C(F)F ZINC000824508715 633251091 /nfs/dbraw/zinc/25/10/91/633251091.db2.gz GZBMZCSKLBOMRX-SNVBAGLBSA-N 0 0 263.715 3.487 20 10 CGCDRN CCCn1ncc(NCc2ccccc2O)c1C1CC1 ZINC000824631069 633266577 /nfs/dbraw/zinc/26/65/77/633266577.db2.gz VVNQZDXUQINRCX-UHFFFAOYSA-N 0 0 271.364 3.488 20 10 CGCDRN CC(C)CCOC(=O)N[C@H](C)c1ccccc1O ZINC000867834350 633271409 /nfs/dbraw/zinc/27/14/09/633271409.db2.gz GLAOOMBUFHFQRF-LLVKDONJSA-N 0 0 251.326 3.226 20 10 CGCDRN CC1(C)[C@H](C(=O)NCc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000868060689 633292797 /nfs/dbraw/zinc/29/27/97/633292797.db2.gz BVLCFCHMSCEEOB-SJORKVTESA-N 0 0 294.398 3.325 20 10 CGCDRN Cc1cc(O)c(CN(C)[C@@H](C)C(=O)OC(C)C)cc1Cl ZINC000824894193 633303111 /nfs/dbraw/zinc/30/31/11/633303111.db2.gz BWLZYDGBIPJFRO-NSHDSACASA-N 0 0 299.798 3.126 20 10 CGCDRN C[C@H](NC(=O)N[C@@H](C)C1CCCC1)c1ccccc1O ZINC000868254363 633307858 /nfs/dbraw/zinc/30/78/58/633307858.db2.gz XCGYURHBSSVDDB-RYUDHWBXSA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCC(C)(C)C1)c1ccccc1O ZINC000868467939 633326378 /nfs/dbraw/zinc/32/63/78/633326378.db2.gz RIUFZONDKPNCSS-NWDGAFQWSA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CC12CCCCC2)c1ccccc1O ZINC000868471274 633326906 /nfs/dbraw/zinc/32/69/06/633326906.db2.gz NBGJEXAHTXBFBZ-DOMZBBRYSA-N 0 0 288.391 3.475 20 10 CGCDRN C[C@@H](CC1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000825339604 633347889 /nfs/dbraw/zinc/34/78/89/633347889.db2.gz BYJAGTKSVLJSKA-JTQLQIEISA-N 0 0 288.351 3.158 20 10 CGCDRN C[C@@H](NC(=O)NC1CC2(CCC2)C1)c1ccccc1O ZINC000868749760 633357518 /nfs/dbraw/zinc/35/75/18/633357518.db2.gz SCNXRQDOJBVIJN-LLVKDONJSA-N 0 0 274.364 3.085 20 10 CGCDRN C/C(=C/C(=O)N1C[C@H](C)Cc2ccccc21)c1cnccn1 ZINC000825722247 633377847 /nfs/dbraw/zinc/37/78/47/633377847.db2.gz VQZWRUANBABZIE-JFBXQDQPSA-N 0 0 293.370 3.105 20 10 CGCDRN Cc1noc([C@H](C)N(C)Cc2cc(Cl)c(C)cc2O)n1 ZINC000826535416 633411774 /nfs/dbraw/zinc/41/17/74/633411774.db2.gz WKXXXSRMSACVLP-VIFPVBQESA-N 0 0 295.770 3.238 20 10 CGCDRN CCC(C)(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000826910508 633443388 /nfs/dbraw/zinc/44/33/88/633443388.db2.gz JHTKREDALPESQD-JTQLQIEISA-N 0 0 296.367 3.223 20 10 CGCDRN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827506054 633495516 /nfs/dbraw/zinc/49/55/16/633495516.db2.gz BWDVOVMUPJEBQB-GHMZBOCLSA-N 0 0 296.208 3.305 20 10 CGCDRN C[N@H+](CC1=CCSC1)Cc1c([O-])ccc(Cl)c1F ZINC000827805901 633519915 /nfs/dbraw/zinc/51/99/15/633519915.db2.gz NKSDJHPKXKBRLV-UHFFFAOYSA-N 0 0 287.787 3.290 20 10 CGCDRN C[C@@H](NC(=O)CSC(C)(C)C)c1ccccc1O ZINC000827923209 633534351 /nfs/dbraw/zinc/53/43/51/633534351.db2.gz LXUZTUUDMMEHRM-SNVBAGLBSA-N 0 0 267.394 3.101 20 10 CGCDRN CCCCSCC(=O)N[C@H](C)c1ccccc1O ZINC000827923594 633535052 /nfs/dbraw/zinc/53/50/52/633535052.db2.gz VMDOQAZDNQPHQY-LLVKDONJSA-N 0 0 267.394 3.103 20 10 CGCDRN C[C@@H](NC(=O)c1cccc2c1CCC2)c1ccccc1O ZINC000827930762 633535370 /nfs/dbraw/zinc/53/53/70/633535370.db2.gz QAYATFYRIADWOV-GFCCVEGCSA-N 0 0 281.355 3.372 20 10 CGCDRN CCS[C@@H](C(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000827930611 633535601 /nfs/dbraw/zinc/53/56/01/633535601.db2.gz MRTFRXZEZPEKEK-BXUZGUMPSA-N 0 0 281.421 3.347 20 10 CGCDRN COC1CCC(CC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827940336 633537393 /nfs/dbraw/zinc/53/73/93/633537393.db2.gz AWFWQXJNPJKDMO-IYXRBSQSSA-N 0 0 291.391 3.165 20 10 CGCDRN CCCC[C@](C)(F)C(=O)N[C@H](C)c1ccccc1O ZINC000827952368 633539468 /nfs/dbraw/zinc/53/94/68/633539468.db2.gz PRZQYAWFWPICEV-ABAIWWIYSA-N 0 0 267.344 3.488 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1C[C@H]1C1CCCC1)c1ccccc1O ZINC000827952578 633539799 /nfs/dbraw/zinc/53/97/99/633539799.db2.gz XUDKFWWOQRAWDS-UGFHNGPFSA-N 0 0 273.376 3.396 20 10 CGCDRN C[C@@H](NC(=O)CC(C)(C)C1CC1)c1ccccc1O ZINC000827952430 633539842 /nfs/dbraw/zinc/53/98/42/633539842.db2.gz RUVIQJYSDJQPQW-LLVKDONJSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCCC1(C)C)c1ccccc1O ZINC000827968885 633542208 /nfs/dbraw/zinc/54/22/08/633542208.db2.gz BYIWVELCIDWLMJ-WCQYABFASA-N 0 0 261.365 3.396 20 10 CGCDRN CC(C)Nc1ncccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978446 633544112 /nfs/dbraw/zinc/54/41/12/633544112.db2.gz UBMKVICPHLYEDS-LBPRGKRZSA-N 0 0 299.374 3.099 20 10 CGCDRN CCN(Cc1nnc(C2CC2)s1)c1ccc(OC)cc1 ZINC000828172687 633577369 /nfs/dbraw/zinc/57/73/69/633577369.db2.gz PQMZFCLYQBVTFS-UHFFFAOYSA-N 0 0 289.404 3.451 20 10 CGCDRN CC(C)[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000828539583 633626561 /nfs/dbraw/zinc/62/65/61/633626561.db2.gz QXNWMZQTJSNINR-HEHGZKQESA-N 0 0 291.391 3.021 20 10 CGCDRN O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000871197971 633722644 /nfs/dbraw/zinc/72/26/44/633722644.db2.gz BYEFXAOFOMYPAN-CABCVRRESA-N 0 0 297.329 3.177 20 10 CGCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871199256 633722692 /nfs/dbraw/zinc/72/26/92/633722692.db2.gz UDMSRETXEDJTNO-UHFFFAOYSA-N 0 0 281.355 3.212 20 10 CGCDRN O=C(CCC1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871199412 633722755 /nfs/dbraw/zinc/72/27/55/633722755.db2.gz PUUKBKIUUZRMKQ-UHFFFAOYSA-N 0 0 259.349 3.205 20 10 CGCDRN O=C([C@H]1CCCC[C@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871205708 633725051 /nfs/dbraw/zinc/72/50/51/633725051.db2.gz KGFSMWXMYSJVPI-GJZGRUSLSA-N 0 0 285.387 3.451 20 10 CGCDRN Cc1c(C(=O)N2Cc3cccc(O)c3C2)ccn1C(C)C ZINC000871205204 633725249 /nfs/dbraw/zinc/72/52/49/633725249.db2.gz RLWQSENQZQYDIS-UHFFFAOYSA-N 0 0 284.359 3.239 20 10 CGCDRN C[C@@H]1CCC[C@@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205126 633725285 /nfs/dbraw/zinc/72/52/85/633725285.db2.gz OOIAKNPSAJGMIO-BDJLRTHQSA-N 0 0 259.349 3.061 20 10 CGCDRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204979 633725374 /nfs/dbraw/zinc/72/53/74/633725374.db2.gz NJDVKNHRYDROMA-IGNZVWTISA-N 0 0 293.366 3.284 20 10 CGCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C1=CC(=O)CS1 ZINC000829637167 633760959 /nfs/dbraw/zinc/76/09/59/633760959.db2.gz GKIIGTFBIBZMSP-JTQLQIEISA-N 0 0 289.356 3.190 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)OC2CCC2)cc1 ZINC000830074424 633824196 /nfs/dbraw/zinc/82/41/96/633824196.db2.gz OAAMHOQATYMXEM-UHFFFAOYSA-N 0 0 276.380 3.312 20 10 CGCDRN CN(C)c1ccc(CNC(=O)OC2CCCC2)cc1F ZINC000830298257 633847203 /nfs/dbraw/zinc/84/72/03/633847203.db2.gz ZXSYIMDQRSJVGQ-UHFFFAOYSA-N 0 0 280.343 3.061 20 10 CGCDRN C[C@@H]1OCC[C@H]1COc1ccc(N2CCCC2)cc1 ZINC000871736605 633847882 /nfs/dbraw/zinc/84/78/82/633847882.db2.gz RAFXPYZBBJXKFT-KBPBESRZSA-N 0 0 261.365 3.091 20 10 CGCDRN COc1ccc(N(CCC2OCCCO2)CC2CC2)cc1 ZINC000831587469 633980493 /nfs/dbraw/zinc/98/04/93/633980493.db2.gz ASQCJZJTJOZGJP-UHFFFAOYSA-N 0 0 291.391 3.065 20 10 CGCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000846185336 636155738 /nfs/dbraw/zinc/15/57/38/636155738.db2.gz UVBWNDIFTHSWKZ-NILFDRSVSA-N 0 0 283.387 3.369 20 10 CGCDRN C[C@H]([NH2+]C1CC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846212150 636159531 /nfs/dbraw/zinc/15/95/31/636159531.db2.gz KWHVDUPEKFIUFX-JTQLQIEISA-N 0 0 276.336 3.284 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000872171803 634076731 /nfs/dbraw/zinc/07/67/31/634076731.db2.gz XNDKBULJCDICNN-PCDDKUFXSA-N 0 0 269.348 3.002 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1ccc(OC3COC3)cc1)CC2 ZINC000834773898 634239778 /nfs/dbraw/zinc/23/97/78/634239778.db2.gz KVFAQUFEXREMFJ-MRXNPFEDSA-N 0 0 297.354 3.269 20 10 CGCDRN CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1ccc(F)cc1[O-] ZINC000834882985 634265664 /nfs/dbraw/zinc/26/56/64/634265664.db2.gz WSVTZWGNCRJPOP-HIFRSBDPSA-N 0 0 269.360 3.387 20 10 CGCDRN Cc1ccc([C@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c(O)c1 ZINC000834886959 634267843 /nfs/dbraw/zinc/26/78/43/634267843.db2.gz WSFCPZMWGMGLSE-BBRMVZONSA-N 0 0 293.407 3.327 20 10 CGCDRN CCC(C)(C)OCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834914445 634286174 /nfs/dbraw/zinc/28/61/74/634286174.db2.gz MYDJZURLRRQNFP-LLVKDONJSA-N 0 0 296.367 3.156 20 10 CGCDRN CN(C)c1ccc(/C=C/CNC(C)(C)C(F)F)cc1 ZINC000835051019 634337105 /nfs/dbraw/zinc/33/71/05/634337105.db2.gz ABPPFYUNWMQISM-AATRIKPKSA-N 0 0 268.351 3.399 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(N2CCCC2=O)cc1 ZINC000876820146 634905982 /nfs/dbraw/zinc/90/59/82/634905982.db2.gz KYSCDRHAOJGVAU-UHFFFAOYSA-N 0 0 296.370 3.440 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(N2CCOCC2)cc1 ZINC000876820217 634906677 /nfs/dbraw/zinc/90/66/77/634906677.db2.gz SLPROWHBOVKGHM-UHFFFAOYSA-N 0 0 298.386 3.149 20 10 CGCDRN CC(C)(CC(=O)COC(=O)C1=CC(=O)CS1)C1CC1 ZINC000837515447 634923472 /nfs/dbraw/zinc/92/34/72/634923472.db2.gz TVBGNWILQIQYMT-UHFFFAOYSA-N 0 0 282.361 3.006 20 10 CGCDRN O=C(OC[C@@H]1CCCCC1(F)F)C1=CC(=O)CS1 ZINC000837516181 634924306 /nfs/dbraw/zinc/92/43/06/634924306.db2.gz XYJDGORFIVCWAE-QMMMGPOBSA-N 0 0 276.304 3.436 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc2c(c1)OCCCO2 ZINC000876953755 634936211 /nfs/dbraw/zinc/93/62/11/634936211.db2.gz ZSDZVGACCRGDHN-UHFFFAOYSA-N 0 0 285.343 3.474 20 10 CGCDRN CN1CCCc2cc(CNCc3cc(C4CC4)no3)ccc21 ZINC000876986910 634944601 /nfs/dbraw/zinc/94/46/01/634944601.db2.gz OIHNTRKDFMZNES-UHFFFAOYSA-N 0 0 297.402 3.224 20 10 CGCDRN COc1ccc(CNC(=O)C2CC(C(C)(C)C)C2)c(O)c1 ZINC000837592778 634944591 /nfs/dbraw/zinc/94/45/91/634944591.db2.gz PKPAXZYMUNJJLN-UHFFFAOYSA-N 0 0 291.391 3.089 20 10 CGCDRN CC(C)N(Cc1cccs1)C(=O)c1cccc(O)c1O ZINC000126294406 634953176 /nfs/dbraw/zinc/95/31/76/634953176.db2.gz NQJDJAYISPLKAA-UHFFFAOYSA-N 0 0 291.372 3.210 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc2c(c1)CCO2 ZINC000877047328 634962564 /nfs/dbraw/zinc/96/25/64/634962564.db2.gz XCQSOUQETWUMID-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN CN(C(=O)CC[C@H]1CC1(Cl)Cl)c1ccc(N)cc1 ZINC000877074173 634972738 /nfs/dbraw/zinc/97/27/38/634972738.db2.gz AYXJRXWEILPAIM-VIFPVBQESA-N 0 0 287.190 3.206 20 10 CGCDRN Cc1ccccc1C[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074688 634972804 /nfs/dbraw/zinc/97/28/04/634972804.db2.gz PNEJYRDFNBPXFM-AWEZNQCLSA-N 0 0 282.387 3.419 20 10 CGCDRN CN(C(=O)C1CCC(C)(C)CC1)c1ccc(N)cc1 ZINC000877075865 634973657 /nfs/dbraw/zinc/97/36/57/634973657.db2.gz KHCOTVDZSGJRFK-UHFFFAOYSA-N 0 0 260.381 3.448 20 10 CGCDRN Cc1ccc(OCCC(=O)N(C)c2ccc(N)cc2)cc1C ZINC000877080030 634976427 /nfs/dbraw/zinc/97/64/27/634976427.db2.gz FGNGAJTWKNSQJU-UHFFFAOYSA-N 0 0 298.386 3.318 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCCO1 ZINC000877087999 634980060 /nfs/dbraw/zinc/98/00/60/634980060.db2.gz ZEHAUSPORYPBFL-CYBMUJFWSA-N 0 0 299.361 3.355 20 10 CGCDRN Cc1ccc(N2CC[C@H](Sc3nccs3)C2=O)cc1 ZINC000126550243 635053365 /nfs/dbraw/zinc/05/33/65/635053365.db2.gz KKUGVIQOTHQKGQ-LBPRGKRZSA-N 0 0 290.413 3.349 20 10 CGCDRN COC1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000840791647 635053694 /nfs/dbraw/zinc/05/36/94/635053694.db2.gz BCISBBFTWUDKED-OIKLOGQESA-N 0 0 285.334 3.279 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CCC(F)(F)C2)ccc(F)c1F ZINC000877494328 635059275 /nfs/dbraw/zinc/05/92/75/635059275.db2.gz KBOUVSKSARSGHJ-QMMMGPOBSA-N 0 0 277.261 3.195 20 10 CGCDRN CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000840847733 635064059 /nfs/dbraw/zinc/06/40/59/635064059.db2.gz UTEJPUQTCPOLCT-XZOAIXRZSA-N 0 0 283.371 3.355 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccnc1C ZINC000840878173 635070807 /nfs/dbraw/zinc/07/08/07/635070807.db2.gz ATVNMASTJXZINI-UHFFFAOYSA-N 0 0 255.365 3.377 20 10 CGCDRN Cc1ccc(CN[C@@H](C2CC2)C(F)(F)F)c(O)c1 ZINC000877534488 635076087 /nfs/dbraw/zinc/07/60/87/635076087.db2.gz AZWZDWCIWKPLJG-LBPRGKRZSA-N 0 0 259.271 3.131 20 10 CGCDRN Cc1c(NCc2c(O)cc(C)cc2Cl)cnn1C ZINC000840908048 635080030 /nfs/dbraw/zinc/08/00/30/635080030.db2.gz NTNVETPFFLCYMI-UHFFFAOYSA-N 0 0 265.744 3.008 20 10 CGCDRN Cc1cc(O)c(CN[C@@H]2C[C@H](C)n3ccnc32)c(Cl)c1 ZINC000840949794 635090478 /nfs/dbraw/zinc/09/04/78/635090478.db2.gz CEAJIGWRIMXSGL-GXFFZTMASA-N 0 0 291.782 3.346 20 10 CGCDRN [O-]c1c(C[NH2+]CC2CCC(F)CC2)ccc(F)c1F ZINC000877607773 635109305 /nfs/dbraw/zinc/10/93/05/635109305.db2.gz LIKTXVNDUPAJID-UHFFFAOYSA-N 0 0 273.298 3.288 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCCO1 ZINC000877618815 635115909 /nfs/dbraw/zinc/11/59/09/635115909.db2.gz GIPQGTQHNXTEAP-QWHCGFSZSA-N 0 0 285.334 3.108 20 10 CGCDRN CCCN(CCC)c1ccc(CNCc2ncc[nH]2)cc1 ZINC000877672730 635141500 /nfs/dbraw/zinc/14/15/00/635141500.db2.gz LXAOCGLPVAIKMQ-UHFFFAOYSA-N 0 0 286.423 3.326 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877700662 635150909 /nfs/dbraw/zinc/15/09/09/635150909.db2.gz SFZVXHNVALCPOS-KYZUINATSA-N 0 0 275.776 3.168 20 10 CGCDRN Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)cc(C)c1O ZINC000877702994 635153679 /nfs/dbraw/zinc/15/36/79/635153679.db2.gz NNBNWIPGZPZPEN-UHFFFAOYSA-N 0 0 269.344 3.230 20 10 CGCDRN CN(C)c1ccc(CN2Cc3cccc(O)c3C2)cc1F ZINC000877703727 635155141 /nfs/dbraw/zinc/15/51/41/635155141.db2.gz RFZGANJQBISLFX-UHFFFAOYSA-N 0 0 286.350 3.113 20 10 CGCDRN Cc1cccc(CNc2cccc3c2OCCCO3)c1O ZINC000877767968 635194083 /nfs/dbraw/zinc/19/40/83/635194083.db2.gz FMFFAMDPZCGZTO-UHFFFAOYSA-N 0 0 285.343 3.474 20 10 CGCDRN C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(Cl)cc1[O-] ZINC000841744770 635222531 /nfs/dbraw/zinc/22/25/31/635222531.db2.gz KZQLLEKGFUEMEV-LBPRGKRZSA-N 0 0 293.798 3.373 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])N(C)C1CC1 ZINC000841748806 635223876 /nfs/dbraw/zinc/22/38/76/635223876.db2.gz ZCWWRUXHKZTLBY-MNOVXSKESA-N 0 0 282.815 3.179 20 10 CGCDRN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751182 635225007 /nfs/dbraw/zinc/22/50/07/635225007.db2.gz MEUPTKPFIRUBLD-QWRGUYRKSA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(Cl)cc1[O-] ZINC000841748902 635225758 /nfs/dbraw/zinc/22/57/58/635225758.db2.gz AGGRFBVGGAVOIT-LLVKDONJSA-N 0 0 285.815 3.495 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)nn1C ZINC000841886178 635245530 /nfs/dbraw/zinc/24/55/30/635245530.db2.gz KXXLQGOYBBEFOC-UHFFFAOYSA-N 0 0 285.391 3.080 20 10 CGCDRN CC1(C)CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841885208 635246006 /nfs/dbraw/zinc/24/60/06/635246006.db2.gz UHJWGZMOVHKZQO-HNNXBMFYSA-N 0 0 289.423 3.079 20 10 CGCDRN CC[C@]1(C)CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841954773 635251590 /nfs/dbraw/zinc/25/15/90/635251590.db2.gz PHGLOQHKUAOIFJ-QGZVFWFLSA-N 0 0 289.423 3.033 20 10 CGCDRN CCC[C@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000841908756 635251753 /nfs/dbraw/zinc/25/17/53/635251753.db2.gz UIBWPMKCMJIWIX-HNNXBMFYSA-N 0 0 291.439 3.325 20 10 CGCDRN CCN(C(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000841956149 635252642 /nfs/dbraw/zinc/25/26/42/635252642.db2.gz WVWFOFWULVYIFV-UHFFFAOYSA-N 0 0 289.423 3.176 20 10 CGCDRN Cc1conc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000877977893 635301206 /nfs/dbraw/zinc/30/12/06/635301206.db2.gz XPBDBAZPQCPKSP-UHFFFAOYSA-N 0 0 285.391 3.214 20 10 CGCDRN CCCC[N@H+](Cc1cc[nH]c(=O)c1)Cc1ccccc1O ZINC000878565825 635557872 /nfs/dbraw/zinc/55/78/72/635557872.db2.gz PXJBRGGMPAIYRZ-UHFFFAOYSA-N 0 0 286.375 3.295 20 10 CGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1cc(OC)ccc1O ZINC000878852152 635643003 /nfs/dbraw/zinc/64/30/03/635643003.db2.gz FAQCILUALBHMNB-SUMWQHHRSA-N 0 0 291.391 3.233 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C/C2CCCC2)cc1 ZINC000843520133 635686703 /nfs/dbraw/zinc/68/67/03/635686703.db2.gz UCCURPOXZCOCNA-FMIVXFBMSA-N 0 0 272.392 3.115 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CC3(CCC3)C2)c1 ZINC000843833223 635786933 /nfs/dbraw/zinc/78/69/33/635786933.db2.gz ZOAHPHUYXWWELJ-NSHDSACASA-N 0 0 289.375 3.158 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)c(O)c1 ZINC000843874360 635790744 /nfs/dbraw/zinc/79/07/44/635790744.db2.gz HOKQVYXQHSJNQW-GXTWGEPZSA-N 0 0 291.391 3.089 20 10 CGCDRN CN(CCC(C)(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000844011861 635806569 /nfs/dbraw/zinc/80/65/69/635806569.db2.gz DWFZQXCMHJHBKV-VURMDHGXSA-N 0 0 277.364 3.006 20 10 CGCDRN C[C@@H](NCc1csc(Cl)n1)c1ccccc1O ZINC000879648898 635826738 /nfs/dbraw/zinc/82/67/38/635826738.db2.gz FJUBKXKUYOGXHH-MRVPVSSYSA-N 0 0 268.769 3.353 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCC2)cc1 ZINC000844304409 635865048 /nfs/dbraw/zinc/86/50/48/635865048.db2.gz CZPMPXNDAXWYFE-IRXDYDNUSA-N 0 0 286.419 3.195 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000844353281 635877594 /nfs/dbraw/zinc/87/75/94/635877594.db2.gz KKHJEKHVGIDEAC-INIZCTEOSA-N 0 0 275.323 3.004 20 10 CGCDRN CCc1noc(C)c1CN(C)c1ccc(OC)cc1 ZINC000844352950 635877600 /nfs/dbraw/zinc/87/76/00/635877600.db2.gz KXAZRKHRZDVPLG-UHFFFAOYSA-N 0 0 260.337 3.190 20 10 CGCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000845702833 636082645 /nfs/dbraw/zinc/08/26/45/636082645.db2.gz BWYWJIJKMUKXBY-SECBINFHSA-N 0 0 284.787 3.279 20 10 CGCDRN CC(C)C[C@H](C)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881317732 636098341 /nfs/dbraw/zinc/09/83/41/636098341.db2.gz PBRXFKKKSPAOIV-ZDUSSCGKSA-N 0 0 288.395 3.122 20 10 CGCDRN CCN(C)c1ccc(CN(C)c2ccc(OC)cc2)cn1 ZINC000845998731 636127665 /nfs/dbraw/zinc/12/76/65/636127665.db2.gz NZUIBQLIJKCMLN-UHFFFAOYSA-N 0 0 285.391 3.183 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846476369 636188908 /nfs/dbraw/zinc/18/89/08/636188908.db2.gz KRIVWRUQBBFHEG-ZWNOBZJWSA-N 0 0 281.783 3.488 20 10 CGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)C1CCC1 ZINC000846477533 636188931 /nfs/dbraw/zinc/18/89/31/636188931.db2.gz RXISVPOBWADSME-UHFFFAOYSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC=CCC1 ZINC000846479295 636189889 /nfs/dbraw/zinc/18/98/89/636189889.db2.gz JZPWBDHRYPNIBB-JTQLQIEISA-N 0 0 265.740 3.018 20 10 CGCDRN C[C@H]1c2sccc2CCN1C(=O)C1=CC(=O)CS1 ZINC000882185815 636286314 /nfs/dbraw/zinc/28/63/14/636286314.db2.gz JMASNJDLUTXXOP-QMMMGPOBSA-N 0 0 279.386 3.275 20 10 CGCDRN CCN(C)c1ccc(CN(C)[C@@H](C)c2nc(C)no2)cc1 ZINC000847065837 636326192 /nfs/dbraw/zinc/32/61/92/636326192.db2.gz PGIHIPHXKMCMRE-LBPRGKRZSA-N 0 0 288.395 3.027 20 10 CGCDRN CN(C)c1ccc(CN2CCOC3(CCCC3)C2)cc1F ZINC000129707709 636347115 /nfs/dbraw/zinc/34/71/15/636347115.db2.gz GVEBRRPYERRWSP-UHFFFAOYSA-N 0 0 292.398 3.037 20 10 CGCDRN COc1cccc(CNC(=O)CCC[Si](C)(C)C)c1O ZINC000847589377 636401371 /nfs/dbraw/zinc/40/13/71/636401371.db2.gz ICCBUEFHTMPRIQ-UHFFFAOYSA-N 0 0 295.455 3.135 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC000883016833 636508243 /nfs/dbraw/zinc/50/82/43/636508243.db2.gz NMASKQQATFOZRQ-CQSZACIVSA-N 0 0 278.302 3.306 20 10 CGCDRN Cc1cnc([C@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883087761 636536819 /nfs/dbraw/zinc/53/68/19/636536819.db2.gz HZHJTYGGRZOBEV-MRVPVSSYSA-N 0 0 298.358 3.329 20 10 CGCDRN C[C@@H](C1CC1)n1cc(NCc2cc(F)cc(F)c2O)cn1 ZINC000883092390 636538125 /nfs/dbraw/zinc/53/81/25/636538125.db2.gz NPUHPCXCEDVODV-VIFPVBQESA-N 0 0 293.317 3.450 20 10 CGCDRN CSCC1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883166816 636562451 /nfs/dbraw/zinc/56/24/51/636562451.db2.gz JKKRYTKVXCCLHA-UHFFFAOYSA-N 0 0 287.375 3.293 20 10 CGCDRN Nc1ccc(CCNC(=O)c2cccc(C3CC3)c2)cc1 ZINC000848394102 636566268 /nfs/dbraw/zinc/56/62/68/636566268.db2.gz GBICCWNPCFVXMR-UHFFFAOYSA-N 0 0 280.371 3.119 20 10 CGCDRN C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000848564538 636608213 /nfs/dbraw/zinc/60/82/13/636608213.db2.gz HGSOCHDNARWGBU-QWRGUYRKSA-N 0 0 292.329 3.347 20 10 CGCDRN CCc1cccc(CNc2cn(C)nc2C2CC2)c1O ZINC000848913253 636687457 /nfs/dbraw/zinc/68/74/57/636687457.db2.gz SLDIZLGQVOQKJA-UHFFFAOYSA-N 0 0 271.364 3.178 20 10 CGCDRN CCc1cccc(CNc2cc(COC)ccn2)c1O ZINC000848918689 636691379 /nfs/dbraw/zinc/69/13/79/636691379.db2.gz IHKOBKCZOZZNKN-UHFFFAOYSA-N 0 0 272.348 3.108 20 10 CGCDRN CCC[C@@H](C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000883877971 636868279 /nfs/dbraw/zinc/86/82/79/636868279.db2.gz ZFJJUNDZFLNGNJ-GFCCVEGCSA-N 0 0 276.380 3.244 20 10 CGCDRN Clc1cnc(SCc2noc(C3CC3)n2)s1 ZINC000849999633 636924858 /nfs/dbraw/zinc/92/48/58/636924858.db2.gz VODQMGVZZJSJFI-UHFFFAOYSA-N 0 0 273.770 3.349 20 10 CGCDRN CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000850515364 637099362 /nfs/dbraw/zinc/09/93/62/637099362.db2.gz XAVIGRKOHYSTKY-OBJOEFQTSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+]CCc1ccoc1)c1cc(F)cc(F)c1[O-] ZINC000850532179 637109534 /nfs/dbraw/zinc/10/95/34/637109534.db2.gz QWBQOYDGSDLRCR-VIFPVBQESA-N 0 0 267.275 3.157 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(F)cc(F)c1[O-] ZINC000850534267 637110220 /nfs/dbraw/zinc/11/02/20/637110220.db2.gz IFFVZTUNLLGXNS-SCVCMEIPSA-N 0 0 285.334 3.279 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc(Cl)c1[O-] ZINC000850545109 637116065 /nfs/dbraw/zinc/11/60/65/637116065.db2.gz FAVLMZLCAVFWNG-MJBXVCDLSA-N 0 0 295.810 3.390 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850578002 637130745 /nfs/dbraw/zinc/13/07/45/637130745.db2.gz FJONQTUAAJSCLZ-SOCHQFKDSA-N 0 0 290.190 3.263 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(CCCO)c2)c1 ZINC000136221169 637297966 /nfs/dbraw/zinc/29/79/66/637297966.db2.gz BNDGMTGHUFWEKZ-UHFFFAOYSA-N 0 0 271.360 3.238 20 10 CGCDRN Cc1nc(CN[C@H](C)c2c(O)cccc2F)cs1 ZINC000886508654 637545879 /nfs/dbraw/zinc/54/58/79/637545879.db2.gz JDURNZQIBMDPBT-MRVPVSSYSA-N 0 0 266.341 3.147 20 10 CGCDRN CCn1nc(C)c(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1C ZINC000886520957 637550661 /nfs/dbraw/zinc/55/06/61/637550661.db2.gz QRJQISHTIOHIEB-NSHDSACASA-N 0 0 291.370 3.215 20 10 CGCDRN CC(C)c1cc(CN[C@@H](C)c2c(O)cccc2F)on1 ZINC000886528158 637554612 /nfs/dbraw/zinc/55/46/12/637554612.db2.gz HWZJDIXPKGGISB-JTQLQIEISA-N 0 0 278.327 3.494 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1c([O-])cccc1F ZINC000886532397 637555828 /nfs/dbraw/zinc/55/58/28/637555828.db2.gz ILCXOLOSIBTRJV-IRHXVLAXSA-N 0 0 293.382 3.386 20 10 CGCDRN CSCC[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886530250 637557177 /nfs/dbraw/zinc/55/71/77/637557177.db2.gz HASVMIZVKMUCCH-VHSXEESVSA-N 0 0 257.374 3.324 20 10 CGCDRN CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886532666 637557869 /nfs/dbraw/zinc/55/78/69/637557869.db2.gz MPYBLEICHYNUSJ-GMTAPVOTSA-N 0 0 269.385 3.466 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886587748 637593383 /nfs/dbraw/zinc/59/33/83/637593383.db2.gz DYSFFVSWAZUJDC-UPJWGTAASA-N 0 0 281.371 3.387 20 10 CGCDRN COCCc1ccnc(N[C@@H](C)c2c(O)cccc2F)c1 ZINC000886609591 637603560 /nfs/dbraw/zinc/60/35/60/637603560.db2.gz WWWWUBXMSDDNRJ-NSHDSACASA-N 0 0 290.338 3.288 20 10 CGCDRN C[C@@H]([NH2+]CCCC1CCOCC1)c1c([O-])cccc1F ZINC000886615902 637608618 /nfs/dbraw/zinc/60/86/18/637608618.db2.gz QERRVYXXQCNCIH-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@H]([NH2+]CCCC1CCOCC1)c1c([O-])cccc1F ZINC000886615903 637609390 /nfs/dbraw/zinc/60/93/90/637609390.db2.gz QERRVYXXQCNCIH-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN Cc1cc(C)c(C[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886622192 637612615 /nfs/dbraw/zinc/61/26/15/637612615.db2.gz MMOAXVPDOZPFPQ-LBPRGKRZSA-N 0 0 274.339 3.394 20 10 CGCDRN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1c(O)cccc1F ZINC000886620091 637612944 /nfs/dbraw/zinc/61/29/44/637612944.db2.gz BPKPMEHZIGBKQT-JFGNBEQYSA-N 0 0 275.327 3.084 20 10 CGCDRN CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886636115 637621776 /nfs/dbraw/zinc/62/17/76/637621776.db2.gz GKMPGFYQVGARAK-YPMHNXCESA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000852261756 637624790 /nfs/dbraw/zinc/62/47/90/637624790.db2.gz VESQUCDTWCWLIJ-LRDDRELGSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(Cl)cc1O ZINC000886803146 637698647 /nfs/dbraw/zinc/69/86/47/637698647.db2.gz DSUWXGICSLXILB-CPCISQLKSA-N 0 0 297.704 3.010 20 10 CGCDRN CN(C)c1ccc(CNc2cc(C(C)(C)C)ncn2)cc1 ZINC000853093213 637754680 /nfs/dbraw/zinc/75/46/80/637754680.db2.gz BRXNXDYEPKJUAQ-UHFFFAOYSA-N 0 0 284.407 3.452 20 10 CGCDRN C[C@H]1COC2(CCC2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000853541297 637865230 /nfs/dbraw/zinc/86/52/30/637865230.db2.gz FUXVFZZDNYLHEN-ZDUSSCGKSA-N 0 0 298.386 3.084 20 10 CGCDRN CC(C)C[C@H](C[NH2+]Cc1c(O)cccc1Cl)CC(=O)[O-] ZINC000854244132 638031860 /nfs/dbraw/zinc/03/18/60/638031860.db2.gz REABBARXQWFORH-NSHDSACASA-N 0 0 299.798 3.272 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)C2CCC(F)CC2)c(O)c1O ZINC000856080824 638297066 /nfs/dbraw/zinc/29/70/66/638297066.db2.gz PNFDLGLYRKWGIT-VOMCLLRMSA-N 0 0 295.354 3.053 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000857080123 638453805 /nfs/dbraw/zinc/45/38/05/638453805.db2.gz DIPNHLFUYLVNKK-YUMQZZPRSA-N 0 0 277.261 3.366 20 10 CGCDRN Cc1nc(C(=O)NCc2cc(Cl)ccc2O)sc1C ZINC000857548333 638516327 /nfs/dbraw/zinc/51/63/27/638516327.db2.gz JMTYBDQBQGMVST-UHFFFAOYSA-N 0 0 296.779 3.049 20 10 CGCDRN CN(C)c1cc(F)c(CNCc2cccc(O)c2)cc1F ZINC000858120501 638636646 /nfs/dbraw/zinc/63/66/46/638636646.db2.gz GHBAMQMLEAWCSD-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN Cc1ncccc1NCc1cc(F)c(N(C)C)cc1F ZINC000858153767 638645556 /nfs/dbraw/zinc/64/55/56/638645556.db2.gz SABTVSLHTGJZTP-UHFFFAOYSA-N 0 0 277.318 3.346 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)C23CC(C2)C3)cc1 ZINC000858201969 638657262 /nfs/dbraw/zinc/65/72/62/638657262.db2.gz FFBPZLOTCIDXMC-UHFFFAOYSA-N 0 0 286.419 3.291 20 10 CGCDRN C[S@](=O)(=NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000926033136 638681243 /nfs/dbraw/zinc/68/12/43/638681243.db2.gz VDUIJSONGWYYEC-GOSISDBHSA-N 0 0 287.406 3.024 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1c([O-])cccc1F ZINC000927014540 638831737 /nfs/dbraw/zinc/83/17/37/638831737.db2.gz OHZGGUBSVMDVLX-IAQYHMDHSA-N 0 0 267.344 3.141 20 10 CGCDRN CCC[C@@](C)(CC)C(=O)NCc1c(O)cccc1F ZINC000928707412 638889236 /nfs/dbraw/zinc/88/92/36/638889236.db2.gz DJHKECRTQMVHQW-OAHLLOKOSA-N 0 0 267.344 3.364 20 10 CGCDRN CC1(CCC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000930204954 638983110 /nfs/dbraw/zinc/98/31/10/638983110.db2.gz GXARMGBWECAFJX-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCCC2CCC2)c1 ZINC000858616075 639002680 /nfs/dbraw/zinc/00/26/80/639002680.db2.gz YKFMJMLXQNMOON-UHFFFAOYSA-N 0 0 276.380 3.080 20 10 CGCDRN COc1ccc(N(Cc2nn(C)cc2C)CC2CC2)cc1 ZINC000930637783 639043433 /nfs/dbraw/zinc/04/34/33/639043433.db2.gz CCVCRBOYKPHWSX-UHFFFAOYSA-N 0 0 285.391 3.154 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cc(Cl)n(C)n1 ZINC000859069236 639070021 /nfs/dbraw/zinc/07/00/21/639070021.db2.gz GQKKLCDGOSQUMB-UHFFFAOYSA-N 0 0 291.782 3.035 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccnc(F)c1 ZINC000859069932 639070135 /nfs/dbraw/zinc/07/01/35/639070135.db2.gz YEMGEYAPGXDCDZ-UHFFFAOYSA-N 0 0 272.323 3.182 20 10 CGCDRN CC1(NC(=O)Nc2ccc(N)cc2)CCC(F)(F)CC1 ZINC000859697060 639193594 /nfs/dbraw/zinc/19/35/94/639193594.db2.gz WBDPRNKYTAEKJN-UHFFFAOYSA-N 0 0 283.322 3.358 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CC=CCC1 ZINC000934705109 639662867 /nfs/dbraw/zinc/66/28/67/639662867.db2.gz PZQCLACKPTVXFO-CYBMUJFWSA-N 0 0 259.349 3.097 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CC=CCC2)c1 ZINC000934940505 639720835 /nfs/dbraw/zinc/72/08/35/639720835.db2.gz NTJBGBNFCAPEAU-QWHCGFSZSA-N 0 0 289.375 3.324 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000935462110 639820839 /nfs/dbraw/zinc/82/08/39/639820839.db2.gz DTNWNYYHYCJGIY-WPPMKCIMSA-N 0 0 298.430 3.222 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000158676489 640014687 /nfs/dbraw/zinc/01/46/87/640014687.db2.gz GEVTYEPZWZYYGZ-OAHLLOKOSA-N 0 0 257.308 3.308 20 10 CGCDRN Oc1c(F)cccc1CN1CCCOc2ccccc21 ZINC000158879168 640022802 /nfs/dbraw/zinc/02/28/02/640022802.db2.gz DYMKZTIUCHUADN-UHFFFAOYSA-N 0 0 273.307 3.320 20 10 CGCDRN COc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)c(O)c1 ZINC000190295908 640239508 /nfs/dbraw/zinc/23/95/08/640239508.db2.gz RIYAMVMJHUHWKW-UHFFFAOYSA-N 0 0 293.313 3.011 20 10 CGCDRN CCCc1noc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000191583954 640320869 /nfs/dbraw/zinc/32/08/69/640320869.db2.gz YOUMPVJWPMAFKQ-UHFFFAOYSA-N 0 0 289.379 3.446 20 10 CGCDRN CCn1cc(CN(C)c2ccc(OC(C)C)cc2)cn1 ZINC000192037006 640346595 /nfs/dbraw/zinc/34/65/95/640346595.db2.gz WJBFWYSHYTVOAW-UHFFFAOYSA-N 0 0 273.380 3.327 20 10 CGCDRN CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000192849642 640410826 /nfs/dbraw/zinc/41/08/26/640410826.db2.gz VDBODYIHMWBKNM-UHFFFAOYSA-N 0 0 283.375 3.114 20 10 CGCDRN CCC(CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000081779249 640553164 /nfs/dbraw/zinc/55/31/64/640553164.db2.gz PFDSEVUEHGNLKR-JTQLQIEISA-N 0 0 265.353 3.014 20 10 CGCDRN C[N@H+](Cc1cccc(Br)c1[O-])C1CCC1 ZINC000093475839 640772530 /nfs/dbraw/zinc/77/25/30/640772530.db2.gz PNYPCINUFIIZCB-UHFFFAOYSA-N 0 0 270.170 3.139 20 10 CGCDRN Cc1cc(CC2=CCN(c3ccccc3)CC2)n(C)n1 ZINC001250417782 805602519 /nfs/dbraw/zinc/60/25/19/805602519.db2.gz KKOFRWAHMXZELD-UHFFFAOYSA-N 0 0 267.376 3.108 20 10 CGCDRN CCOc1ccc2[nH]c(-c3ccc(O)c(O)c3)nc2c1 ZINC001250464795 805632013 /nfs/dbraw/zinc/63/20/13/805632013.db2.gz MDPPUQFFFYKSCX-UHFFFAOYSA-N 0 0 270.288 3.040 20 10 CGCDRN CN(C)c1ccc(-c2nc3cc4c(cc3[nH]2)CCO4)cc1 ZINC001250468963 805636453 /nfs/dbraw/zinc/63/64/53/805636453.db2.gz WJQMORJONKTLOA-UHFFFAOYSA-N 0 0 279.343 3.231 20 10 CGCDRN CCn1c2ccc(C)cc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248343 805872657 /nfs/dbraw/zinc/87/26/57/805872657.db2.gz MHRBFMNYYMNIQF-UHFFFAOYSA-N 0 0 284.315 3.148 20 10 CGCDRN CCCCOC[C@@H](O)CNc1ccccc1OCC1CC1 ZINC001252523344 806055284 /nfs/dbraw/zinc/05/52/84/806055284.db2.gz PJAMBAUEDFUDLA-HNNXBMFYSA-N 0 0 293.407 3.065 20 10 CGCDRN COc1cnc(Br)c(Nc2ccc(N)cc2)c1 ZINC001159230416 806063447 /nfs/dbraw/zinc/06/34/47/806063447.db2.gz QDJKWIYLGIDRAZ-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN COC(=O)c1cccc(C)c1Nc1ccc(N)cc1 ZINC001159529902 806117976 /nfs/dbraw/zinc/11/79/76/806117976.db2.gz WEYHCEVAXCCFNI-UHFFFAOYSA-N 0 0 256.305 3.107 20 10 CGCDRN COC(=O)c1ccc(Nc2ccc3c(c2)CCCN3)cc1O ZINC001159529253 806118617 /nfs/dbraw/zinc/11/86/17/806118617.db2.gz HYIDKYLWPIXHNV-UHFFFAOYSA-N 0 0 298.342 3.281 20 10 CGCDRN c1cnn(-c2ccc(Nc3ccc4c(c3)CCCN4)cc2)n1 ZINC001159845547 806185735 /nfs/dbraw/zinc/18/57/35/806185735.db2.gz JTRSFNVLDHOWKH-UHFFFAOYSA-N 0 0 291.358 3.369 20 10 CGCDRN CCOc1ccc(NCc2c(C)cc(C)cc2O)nc1 ZINC001160808055 806304230 /nfs/dbraw/zinc/30/42/30/806304230.db2.gz HLOZWFNGHSHLSL-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCSC2)cc(Cl)c2cccnc12 ZINC001255270721 806588517 /nfs/dbraw/zinc/58/85/17/806588517.db2.gz KSVFTNUZWZZCAV-JTQLQIEISA-N 0 0 294.807 3.189 20 10 CGCDRN CC[NH+](CC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000037322554 798866468 /nfs/dbraw/zinc/86/64/68/798866468.db2.gz UTZCTXBUEWGZJM-UHFFFAOYSA-N 0 0 255.745 3.090 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2CC2)c1[O-] ZINC000037925868 798879296 /nfs/dbraw/zinc/87/92/96/798879296.db2.gz WNORWRLMMRJUSK-UHFFFAOYSA-N 0 0 267.756 3.090 20 10 CGCDRN C[C@@H]1CO[C@@H](C)CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000045723063 798891610 /nfs/dbraw/zinc/89/16/10/798891610.db2.gz JCLSTNAQDAFEBJ-NEPJUHHUSA-N 0 0 293.407 3.005 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000071408593 798917160 /nfs/dbraw/zinc/91/71/60/798917160.db2.gz DUHPZSNKGWINII-UHFFFAOYSA-N 0 0 276.267 3.360 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(C)c2O)cc1 ZINC000160214798 799076075 /nfs/dbraw/zinc/07/60/75/799076075.db2.gz GBXKCQQYFJEECZ-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000161296437 799078892 /nfs/dbraw/zinc/07/88/92/799078892.db2.gz RMSZWHDIHKMYFU-ZJUUUORDSA-N 0 0 284.197 3.385 20 10 CGCDRN Cc1ccc(F)c(C(=O)N(C)Cc2ccccc2O)c1F ZINC000383765229 799408381 /nfs/dbraw/zinc/40/83/81/799408381.db2.gz SRRIBLUDPPHJMH-UHFFFAOYSA-N 0 0 291.297 3.251 20 10 CGCDRN C[C@H]([NH2+]C1CCC1)c1cc(Br)c(F)cc1[O-] ZINC000393777029 799491192 /nfs/dbraw/zinc/49/11/92/799491192.db2.gz GNVMCRHCQFEELQ-ZETCQYMHSA-N 0 0 288.160 3.497 20 10 CGCDRN C[C@H](CCC(C)(C)C)NC(=O)c1cccc(O)c1O ZINC000395366891 799505161 /nfs/dbraw/zinc/50/51/61/799505161.db2.gz NJUYWINRYVCUSN-SNVBAGLBSA-N 0 0 265.353 3.042 20 10 CGCDRN Cc1ccc(F)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588403382 799688886 /nfs/dbraw/zinc/68/88/86/799688886.db2.gz GKBNQDNLEHGMKO-DAXSKMNVSA-N 0 0 287.290 3.197 20 10 CGCDRN COc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1 ZINC000588408205 799689805 /nfs/dbraw/zinc/68/98/05/799689805.db2.gz JOZHASQOBGAUOY-YWEYNIOJSA-N 0 0 299.326 3.067 20 10 CGCDRN C[C@@H](NCc1cc(Cl)ccc1O)c1cscn1 ZINC000697917461 799851238 /nfs/dbraw/zinc/85/12/38/799851238.db2.gz NRMKJRGBJWMSHK-MRVPVSSYSA-N 0 0 268.769 3.353 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(F)c(F)cc1Cl ZINC000701122155 799884394 /nfs/dbraw/zinc/88/43/94/799884394.db2.gz NIEDYIAFVWARLB-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN CSCc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000701121696 799884429 /nfs/dbraw/zinc/88/44/29/799884429.db2.gz IFOSHGQRCAQAPT-UHFFFAOYSA-N 0 0 287.384 3.185 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)ccc(F)c1F ZINC000703532673 799925914 /nfs/dbraw/zinc/92/59/14/799925914.db2.gz UTCYTCHTHUZAHU-SECBINFHSA-N 0 0 295.251 3.445 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000704791468 799941327 /nfs/dbraw/zinc/94/13/27/799941327.db2.gz UVIIJNBVRCLKBX-MNOVXSKESA-N 0 0 269.385 3.325 20 10 CGCDRN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CCC1 ZINC000706723597 799966229 /nfs/dbraw/zinc/96/62/29/799966229.db2.gz OZROIXJLTVRGMM-UHFFFAOYSA-N 0 0 265.328 3.108 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000708382640 799986219 /nfs/dbraw/zinc/98/62/19/799986219.db2.gz GNTVWRJDQIUIIU-HZMBPMFUSA-N 0 0 267.319 3.435 20 10 CGCDRN Cc1cnc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000708548465 799992193 /nfs/dbraw/zinc/99/21/93/799992193.db2.gz FYLVGCIEIWTUPQ-MRVPVSSYSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(F)cc1[O-] ZINC000711470751 800061166 /nfs/dbraw/zinc/06/11/66/800061166.db2.gz DFLHBLRVBBKJLJ-YPMHNXCESA-N 0 0 279.355 3.284 20 10 CGCDRN CCC1([NH+](C)C)CCN(Cc2c(O)cccc2Cl)CC1 ZINC000715193627 800133093 /nfs/dbraw/zinc/13/30/93/800133093.db2.gz GLAUUSJPSIQSOX-UHFFFAOYSA-N 0 0 296.842 3.352 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccc(F)cc1[O-] ZINC000717274612 800198911 /nfs/dbraw/zinc/19/89/11/800198911.db2.gz SAMUZXVHLVROTG-WCQYABFASA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H](NC(=O)C=C1CCC1)c1ccc(N(C)C)cc1 ZINC000773016043 800385117 /nfs/dbraw/zinc/38/51/17/800385117.db2.gz PZVBUPOGUUAVGD-LBPRGKRZSA-N 0 0 258.365 3.040 20 10 CGCDRN Cc1nc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)co1 ZINC000809508301 800442045 /nfs/dbraw/zinc/44/20/45/800442045.db2.gz WZTROQROQMLYAG-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)[C@@H](F)CC1CCCCC1 ZINC000827622915 800478887 /nfs/dbraw/zinc/47/88/87/800478887.db2.gz OUJNQPPVPNOMQM-AWEZNQCLSA-N 0 0 295.354 3.023 20 10 CGCDRN Cc1ccc(C(=O)N(C(C)C)C2CC(C)(C)C2)c(O)c1O ZINC000837182056 800489690 /nfs/dbraw/zinc/48/96/90/800489690.db2.gz CZFLQYQCRPTVEF-UHFFFAOYSA-N 0 0 291.391 3.445 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(C2CC2)CCOCC1 ZINC001116614146 802385945 /nfs/dbraw/zinc/38/59/45/802385945.db2.gz RHZPKIZUEWMKPM-UHFFFAOYSA-N 0 0 299.773 3.234 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc(F)cc1[O-] ZINC001117113492 802434218 /nfs/dbraw/zinc/43/42/18/802434218.db2.gz VUOCKUBHICHKDB-JYJNAYRXSA-N 0 0 294.414 3.445 20 10 CGCDRN Cc1cc([C@@H](C)NC(=O)C2=CC(=O)CS2)c(C)o1 ZINC001118618336 802590797 /nfs/dbraw/zinc/59/07/97/802590797.db2.gz MSMWIRIKEQCSIF-MRVPVSSYSA-N 0 0 265.334 3.155 20 10 CGCDRN CC[C@H](C)CCCCC(=O)NCc1cccc(O)c1O ZINC001123977914 802986247 /nfs/dbraw/zinc/98/62/47/802986247.db2.gz MKSTYAWPKYPJFX-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN O=C(CCCCc1ccccc1)NCc1cccc(O)c1O ZINC001123978679 802986946 /nfs/dbraw/zinc/98/69/46/802986946.db2.gz YBRBJLDHJHVAQS-UHFFFAOYSA-N 0 0 299.370 3.127 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N1CCc2cc(F)ccc21 ZINC001128379939 803189244 /nfs/dbraw/zinc/18/92/44/803189244.db2.gz OXXGOXVVGSDTJJ-QPJJXVBHSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1ncc(C2CC2)cc1-c1ncnc2c1ccn2C ZINC001244138727 803203916 /nfs/dbraw/zinc/20/39/16/803203916.db2.gz WOAPWSRPAHMAGL-UHFFFAOYSA-N 0 0 264.332 3.216 20 10 CGCDRN COC(=O)c1cc2ccc(-c3cc(F)ccc3N)cc2n1C ZINC001244399119 803347887 /nfs/dbraw/zinc/34/78/87/803347887.db2.gz GWLUEXVYERCNOZ-UHFFFAOYSA-N 0 0 298.317 3.353 20 10 CGCDRN CC[N@H+](Cc1cnc2c(C)cccn12)Cc1ccccc1O ZINC001136965427 803663679 /nfs/dbraw/zinc/66/36/79/803663679.db2.gz OKVFTHQYXBWZEK-UHFFFAOYSA-N 0 0 295.386 3.370 20 10 CGCDRN Cn1ccc2c1cccc2-c1cnc2c(cnn2C)c1 ZINC001245472521 803757590 /nfs/dbraw/zinc/75/75/90/803757590.db2.gz ZKEXKQFROWRSRO-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN [O-]c1cccc(F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001137832785 803778605 /nfs/dbraw/zinc/77/86/05/803778605.db2.gz HQUIPPABRPNURK-AOOOYVTPSA-N 0 0 271.282 3.008 20 10 CGCDRN Oc1cccc(F)c1CN1Cc2cnc(Cl)cc2C1 ZINC001137841887 803782557 /nfs/dbraw/zinc/78/25/57/803782557.db2.gz YTKXJXFZGZTPQW-UHFFFAOYSA-N 0 0 278.714 3.096 20 10 CGCDRN Cc1cc(CN(C2CC2)C2COC2)c(C)n1-c1ccccc1 ZINC001137859387 803787252 /nfs/dbraw/zinc/78/72/52/803787252.db2.gz WFVFTGIRLMBGSG-UHFFFAOYSA-N 0 0 296.414 3.457 20 10 CGCDRN Nc1ccc(Nc2cccc(O)c2O)cc1Cl ZINC001212115779 814977972 /nfs/dbraw/zinc/97/79/72/814977972.db2.gz FFTYNGCOCRDUFJ-UHFFFAOYSA-N 0 0 250.685 3.077 20 10 CGCDRN Cc1c(CN2CCc3ncccc3C2)c2ccccc2n1C ZINC001138256864 803881597 /nfs/dbraw/zinc/88/15/97/803881597.db2.gz NLZYPOWCXVMBHD-UHFFFAOYSA-N 0 0 291.398 3.440 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001139682662 804251473 /nfs/dbraw/zinc/25/14/73/804251473.db2.gz AIXFEKMFKGQVGT-MRVPVSSYSA-N 0 0 295.251 3.445 20 10 CGCDRN CC[N@H+](Cc1ccncc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685631 804252278 /nfs/dbraw/zinc/25/22/78/804252278.db2.gz QRFQYCIKDIMXHD-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN Cc1cc2c(cn1)CN(Cc1c(O)cccc1Cl)C2 ZINC001140341585 804419524 /nfs/dbraw/zinc/41/95/24/804419524.db2.gz XNDMFEPCMCLRDC-UHFFFAOYSA-N 0 0 274.751 3.265 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001140582803 804466047 /nfs/dbraw/zinc/46/60/47/804466047.db2.gz NCNRJQIXGCVAOC-UHFFFAOYSA-N 0 0 285.309 3.385 20 10 CGCDRN Cc1c(O)ccc(C[N@H+](C)Cc2ccc(Cl)nc2)c1O ZINC001140749332 804504999 /nfs/dbraw/zinc/50/49/99/804504999.db2.gz VUZZCOLGQBTHKI-UHFFFAOYSA-N 0 0 292.766 3.087 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC001140922554 804549399 /nfs/dbraw/zinc/54/93/99/804549399.db2.gz ULBJNMJEIVLROC-CTYIDZIISA-N 0 0 296.842 3.141 20 10 CGCDRN CN(C)c1ccc(CN2CCC(=O)C(C)(C)C2)c(Cl)c1 ZINC001140925300 804550797 /nfs/dbraw/zinc/55/07/97/804550797.db2.gz RFUVUWWKSJSPKQ-UHFFFAOYSA-N 0 0 294.826 3.207 20 10 CGCDRN CCC(CC)[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141029675 804575033 /nfs/dbraw/zinc/57/50/33/804575033.db2.gz ZMAQJHSEKYLSED-UHFFFAOYSA-N 0 0 267.369 3.030 20 10 CGCDRN Oc1ccc(O)c(C[N@@H+]2CCSc3ccccc3C2)c1 ZINC001141162607 804601605 /nfs/dbraw/zinc/60/16/05/804601605.db2.gz XAQJUEPZULRQOY-UHFFFAOYSA-N 0 0 287.384 3.206 20 10 CGCDRN CC(=O)c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247380796 804715402 /nfs/dbraw/zinc/71/54/02/804715402.db2.gz APDKNDFAPCKNII-UHFFFAOYSA-N 0 0 281.315 3.347 20 10 CGCDRN COCC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142520061 804729945 /nfs/dbraw/zinc/72/99/45/804729945.db2.gz AYDTZYJXDHDADT-GFCCVEGCSA-N 0 0 285.334 3.061 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001142520474 804730427 /nfs/dbraw/zinc/73/04/27/804730427.db2.gz KCTOUYWOUCEQIH-OAHLLOKOSA-N 0 0 290.313 3.403 20 10 CGCDRN C[N@H+](Cc1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001142521124 804731248 /nfs/dbraw/zinc/73/12/48/804731248.db2.gz YJQPDNBLHQTMOZ-UHFFFAOYSA-N 0 0 269.316 3.364 20 10 CGCDRN CC[N@H+](Cc1sccc1C(=O)[O-])Cc1ccccc1O ZINC001144679823 805033955 /nfs/dbraw/zinc/03/39/55/805033955.db2.gz GAGDBSFZPNYMMG-UHFFFAOYSA-N 0 0 291.372 3.174 20 10 CGCDRN CC1(C)C=Cc2c(O)c(CN3C[C@@H](F)[C@H](F)C3)ccc2O1 ZINC001249223303 805115451 /nfs/dbraw/zinc/11/54/51/805115451.db2.gz DDIFKAODENUVHD-CHWSQXEVSA-N 0 0 295.329 3.068 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C)c(F)cc2F)c1 ZINC001147957017 805157786 /nfs/dbraw/zinc/15/77/86/805157786.db2.gz MELPLEUFGLHIFW-UHFFFAOYSA-N 0 0 291.297 3.217 20 10 CGCDRN Cc1ccc(C(=O)N2CCc3cccc(O)c3C2)c(C)c1 ZINC001148246926 805170924 /nfs/dbraw/zinc/17/09/24/805170924.db2.gz DERZPAVIENWJIU-UHFFFAOYSA-N 0 0 281.355 3.208 20 10 CGCDRN Cc1ccccc1C(F)(F)CNC(=O)C1=CC(=O)CS1 ZINC001148894785 805215037 /nfs/dbraw/zinc/21/50/37/805215037.db2.gz LUIHKSQSIJDNGZ-UHFFFAOYSA-N 0 0 297.326 3.284 20 10 CGCDRN CCOc1cc(N(C)c2ccc(N)cc2)ccc1OC ZINC001212544551 815059935 /nfs/dbraw/zinc/05/99/35/815059935.db2.gz UXTACIFYUWWBRM-UHFFFAOYSA-N 0 0 272.348 3.444 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cc3c([nH]2)CCCC3)c(O)c1 ZINC001150643958 805263206 /nfs/dbraw/zinc/26/32/06/805263206.db2.gz BRKKMYPBHZKCET-UHFFFAOYSA-N 0 0 298.386 3.146 20 10 CGCDRN Cc1c(F)ccc(Nc2cccc(O)c2O)c1F ZINC001250051622 805391004 /nfs/dbraw/zinc/39/10/04/805391004.db2.gz DMDHCOPJUFFGBD-UHFFFAOYSA-N 0 0 251.232 3.428 20 10 CGCDRN CCN(Cc1ccccc1O)c1ccc2ncccc2n1 ZINC001154890032 805505885 /nfs/dbraw/zinc/50/58/85/805505885.db2.gz OGJXGIYBGFULFF-UHFFFAOYSA-N 0 0 279.343 3.362 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncnc2ccccc21 ZINC001154890041 805506086 /nfs/dbraw/zinc/50/60/86/805506086.db2.gz OOFPIPZKHHAYHA-UHFFFAOYSA-N 0 0 279.343 3.362 20 10 CGCDRN CCN(Cc1ccccc1O)c1ccc(C(C)C)nn1 ZINC001154889685 805506314 /nfs/dbraw/zinc/50/63/14/805506314.db2.gz DQNXLIXJHURESO-UHFFFAOYSA-N 0 0 271.364 3.332 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(-c4cocn4)o3)cc2)c1 ZINC001256940739 807013030 /nfs/dbraw/zinc/01/30/30/807013030.db2.gz KMYFTTGYXCWCAC-UHFFFAOYSA-N 0 0 278.271 3.182 20 10 CGCDRN Oc1ccc(-c2nnc(CC3CCCCC3)o2)cc1O ZINC001257004071 807025034 /nfs/dbraw/zinc/02/50/34/807025034.db2.gz CUSZLLVLKYDNBN-UHFFFAOYSA-N 0 0 274.320 3.271 20 10 CGCDRN Cc1cc(-c2noc(-c3nnsc3C3CC3)n2)cnc1C ZINC001212680663 815101559 /nfs/dbraw/zinc/10/15/59/815101559.db2.gz QNXUKNWPQOXIPJ-UHFFFAOYSA-N 0 0 299.359 3.144 20 10 CGCDRN COc1ccc(N(C)CCCOC(F)(F)F)cc1F ZINC001167882112 807267782 /nfs/dbraw/zinc/26/77/82/807267782.db2.gz TVEZJGQDHNYQMF-UHFFFAOYSA-N 0 0 281.249 3.197 20 10 CGCDRN Nc1ccc(Nc2ccc(Cn3ccnc3)cc2)cc1 ZINC001212697479 815106152 /nfs/dbraw/zinc/10/61/52/815106152.db2.gz AAKUCBCEIICZPS-UHFFFAOYSA-N 0 0 264.332 3.257 20 10 CGCDRN Cc1c[nH]c2cccc(NCCc3cc(O)c(O)cc3O)c12 ZINC001168006469 807298312 /nfs/dbraw/zinc/29/83/12/807298312.db2.gz XGFKURXCOWJWOW-UHFFFAOYSA-N 0 0 298.342 3.248 20 10 CGCDRN COc1cccc(N)c1N[C@@H]1CCCC(F)(F)C1 ZINC001169217742 807605305 /nfs/dbraw/zinc/60/53/05/807605305.db2.gz GYJVPLLVYJYWPI-SECBINFHSA-N 0 0 256.296 3.267 20 10 CGCDRN Cc1cc(O)cc(C)c1NS(=O)(=O)CC1CCCCC1 ZINC001259619132 807683773 /nfs/dbraw/zinc/68/37/73/807683773.db2.gz AOPRQENJVHIPGO-UHFFFAOYSA-N 0 0 297.420 3.331 20 10 CGCDRN Oc1ccc(CNc2cccc3c2CC=C3)cc1O ZINC001169994452 807735471 /nfs/dbraw/zinc/73/54/71/807735471.db2.gz AOWYTASOQUCDDP-UHFFFAOYSA-N 0 0 253.301 3.279 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1cc2nc[nH]c2cn1 ZINC001171399408 808045386 /nfs/dbraw/zinc/04/53/86/808045386.db2.gz FITZHOPVVYXSDL-UHFFFAOYSA-N 0 0 290.326 3.429 20 10 CGCDRN Cc1cc(NCc2cc3ccccc3cc2O)cn(C)c1=O ZINC001171407363 808049383 /nfs/dbraw/zinc/04/93/83/808049383.db2.gz OMXLVIYZKDIZFY-UHFFFAOYSA-N 0 0 294.354 3.165 20 10 CGCDRN Cc1ccc(NCc2cc3ccccc3cc2O)[n+]([O-])c1 ZINC001171407709 808049560 /nfs/dbraw/zinc/04/95/60/808049560.db2.gz UVOKUWHRCMCYME-UHFFFAOYSA-N 0 0 280.327 3.099 20 10 CGCDRN Cc1nc2ccc(Nc3cccc(O)c3O)cc2o1 ZINC001213066821 815216945 /nfs/dbraw/zinc/21/69/45/815216945.db2.gz SJFZPMNYDXHJLK-UHFFFAOYSA-N 0 0 256.261 3.291 20 10 CGCDRN O=C1CCCc2cc(Nc3cccc(O)c3O)ccc21 ZINC001213104831 815235242 /nfs/dbraw/zinc/23/52/42/815235242.db2.gz HMVYOMNXTYLBMC-UHFFFAOYSA-N 0 0 269.300 3.360 20 10 CGCDRN O=C(c1ccc(Nc2cccc(O)c2O)cc1)N1CCCC1 ZINC001174067334 808851431 /nfs/dbraw/zinc/85/14/31/808851431.db2.gz BGBDVMNOMDMLFA-UHFFFAOYSA-N 0 0 298.342 3.077 20 10 CGCDRN Oc1cccc(Nc2ccc(N3CCCC3)cc2)c1O ZINC001174526187 809062793 /nfs/dbraw/zinc/06/27/93/809062793.db2.gz KGYKBTFDXTZJET-UHFFFAOYSA-N 0 0 270.332 3.442 20 10 CGCDRN CCCOc1cccc(N(CCO)c2ccc(N)cc2)c1 ZINC001175600991 809469488 /nfs/dbraw/zinc/46/94/88/809469488.db2.gz SDGYZRNYJZUVNU-UHFFFAOYSA-N 0 0 286.375 3.188 20 10 CGCDRN CCCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCC1 ZINC001295059651 809480494 /nfs/dbraw/zinc/48/04/94/809480494.db2.gz CKOYPUSBLVWVLV-CQSZACIVSA-N 0 0 291.391 3.115 20 10 CGCDRN CC(C)=CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001296399448 809503799 /nfs/dbraw/zinc/50/37/99/809503799.db2.gz KIEYZRUJHWBBEE-UHFFFAOYSA-N 0 0 277.345 3.009 20 10 CGCDRN C[C@@H](NC(=O)c1cccc2ncccc21)c1ccccc1O ZINC001302530120 809597203 /nfs/dbraw/zinc/59/72/03/809597203.db2.gz AQMQGOFNIMEPGV-GFCCVEGCSA-N 0 0 292.338 3.431 20 10 CGCDRN O=C(CC/C=C/c1ccccc1)NCc1cc(O)ccc1O ZINC001176748458 809756382 /nfs/dbraw/zinc/75/63/82/809756382.db2.gz SQQQSLZSSXUHJL-XBXARRHUSA-N 0 0 297.354 3.208 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c1 ZINC001178950488 809895795 /nfs/dbraw/zinc/89/57/95/809895795.db2.gz OUPYCXIKNDQHRI-DOMZBBRYSA-N 0 0 290.363 3.216 20 10 CGCDRN Cc1nn(C)c2cc(N(C)c3ccc(N)cc3)ccc12 ZINC001213764481 815329231 /nfs/dbraw/zinc/32/92/31/815329231.db2.gz MEYAZXDQHVGPJZ-UHFFFAOYSA-N 0 0 266.348 3.232 20 10 CGCDRN Oc1cc(Cl)ccc1C[NH2+]Cc1nc2ccccc2o1 ZINC001183910063 810168075 /nfs/dbraw/zinc/16/80/75/810168075.db2.gz TXLUGWUHXAIDNA-UHFFFAOYSA-N 0 0 288.734 3.477 20 10 CGCDRN C[C@H](NC(=O)c1cncc(F)c1Cl)c1ccccc1O ZINC001184141803 810178761 /nfs/dbraw/zinc/17/87/61/810178761.db2.gz YGNGVPIPWGRVBZ-QMMMGPOBSA-N 0 0 294.713 3.071 20 10 CGCDRN O=C(Nc1ccc2c(c1)CCC2)Nc1cccc(O)c1O ZINC001185764029 810291124 /nfs/dbraw/zinc/29/11/24/810291124.db2.gz SQSPAVNFWJQPNN-UHFFFAOYSA-N 0 0 284.315 3.231 20 10 CGCDRN CCc1nccc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001186731674 810358517 /nfs/dbraw/zinc/35/85/17/810358517.db2.gz VMNBRNUHQQUYQP-CQSZACIVSA-N 0 0 298.434 3.457 20 10 CGCDRN Cc1cc(C)c(CNC(=O)N[C@H]2CC[C@H](C)CC2)c(O)c1 ZINC001191848795 810750882 /nfs/dbraw/zinc/75/08/82/810750882.db2.gz ZEJNEDLMWSXOEJ-YEORSEQZSA-N 0 0 290.407 3.387 20 10 CGCDRN COc1cc(C(=O)N[C@H](C)CCCC(C)C)cc(O)c1O ZINC001193114469 810858105 /nfs/dbraw/zinc/85/81/05/810858105.db2.gz RKXSYKLUMRSEGM-LLVKDONJSA-N 0 0 295.379 3.051 20 10 CGCDRN COC(=O)COc1ccc(N(C)C[C@@H](C)C(C)(C)C)cc1 ZINC001193308311 810869993 /nfs/dbraw/zinc/86/99/93/810869993.db2.gz DKTOFKUXUUIAJV-CYBMUJFWSA-N 0 0 293.407 3.357 20 10 CGCDRN CC[C@@H](C)COC(=O)NCc1ccc(N(C)C)cc1 ZINC001194823158 811145992 /nfs/dbraw/zinc/14/59/92/811145992.db2.gz IDKXKABXKSOPNF-GFCCVEGCSA-N 0 0 264.369 3.025 20 10 CGCDRN CC[C@@H](C)OC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001195112814 811205524 /nfs/dbraw/zinc/20/55/24/811205524.db2.gz SMFGGOLMEVBIPK-GFCCVEGCSA-N 0 0 264.369 3.120 20 10 CGCDRN Cc1cccnc1CNC(=S)Nc1ccc(F)cc1C ZINC001196085178 811316886 /nfs/dbraw/zinc/31/68/86/811316886.db2.gz GTFKPBFIWDEACC-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCO2)c1ccccc1O ZINC001199394530 811575845 /nfs/dbraw/zinc/57/58/45/811575845.db2.gz WCTIQHAMAZZOFU-LLVKDONJSA-N 0 0 298.342 3.210 20 10 CGCDRN CN(Cc1cccc(F)c1F)C(=S)NCc1ccco1 ZINC001200565246 811711828 /nfs/dbraw/zinc/71/18/28/811711828.db2.gz XZASDVDTVNHCJC-UHFFFAOYSA-N 0 0 296.342 3.064 20 10 CGCDRN CC(=O)c1ccc(Nc2ccc(N)cc2)c(F)c1F ZINC001214987626 815472839 /nfs/dbraw/zinc/47/28/39/815472839.db2.gz LWZPQBNHMXSTPU-UHFFFAOYSA-N 0 0 262.259 3.493 20 10 CGCDRN Oc1cccc(NC(=S)Nc2ccc(F)cc2F)c1O ZINC001200928811 811768354 /nfs/dbraw/zinc/76/83/54/811768354.db2.gz VHDDCNSYHIWLSL-UHFFFAOYSA-N 0 0 296.298 3.185 20 10 CGCDRN Nc1ccc(OC(=O)c2ccc(Nc3cnoc3)cc2)cc1 ZINC001203244571 812278980 /nfs/dbraw/zinc/27/89/80/812278980.db2.gz DZBMZYZLRZSQMC-UHFFFAOYSA-N 0 0 295.298 3.220 20 10 CGCDRN O=C(c1ccc(F)cc1)c1ccccc1NC1=CCOC1 ZINC001203389270 812337710 /nfs/dbraw/zinc/33/77/10/812337710.db2.gz RPGUJXDTECXVNT-UHFFFAOYSA-N 0 0 283.302 3.383 20 10 CGCDRN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccccc3O)C2)c1 ZINC001203560834 812392308 /nfs/dbraw/zinc/39/23/08/812392308.db2.gz HICLQSKQBYVQFS-INIZCTEOSA-N 0 0 298.386 3.139 20 10 CGCDRN Nc1ccc(CN2Cc3ccccc3C(F)(F)C2)cc1 ZINC001204855060 812755096 /nfs/dbraw/zinc/75/50/96/812755096.db2.gz YQELQYFVEUZWRZ-UHFFFAOYSA-N 0 0 274.314 3.376 20 10 CGCDRN 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ZINC001557830218 938211973 /nfs/dbraw/zinc/21/19/73/938211973.db2.gz MLOPQCXMKFTBRK-UHFFFAOYSA-N 0 0 298.302 3.115 20 10 CGCDRN COCc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001557967290 938212833 /nfs/dbraw/zinc/21/28/33/938212833.db2.gz ZKWJXKQHVHUZJH-GFCCVEGCSA-N 0 0 285.343 3.030 20 10 CGCDRN Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(F)c1F ZINC001558036374 938213304 /nfs/dbraw/zinc/21/33/04/938213304.db2.gz ZEMYXXOQNJDEBJ-UHFFFAOYSA-N 0 0 289.281 3.135 20 10 CGCDRN O=C(/C=C/C1CCCCC1)NCc1c(O)cccc1F ZINC001558454512 938215519 /nfs/dbraw/zinc/21/55/19/938215519.db2.gz HVZCUPDYQPTPGY-MDZDMXLPSA-N 0 0 277.339 3.284 20 10 CGCDRN Cc1cc(NCc2ccccc2O)nc(-c2cccs2)n1 ZINC001559086299 938220072 /nfs/dbraw/zinc/22/00/72/938220072.db2.gz UBGDUFCGUSRESO-UHFFFAOYSA-N 0 0 297.383 3.253 20 10 CGCDRN COc1ccc(N(C)CC(=O)Nc2cccc(C)c2)cc1 ZINC001559969491 938240394 /nfs/dbraw/zinc/24/03/94/938240394.db2.gz GXIMCHNDQCNOQZ-UHFFFAOYSA-N 0 0 284.359 3.079 20 10 CGCDRN CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] 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Cc1ccc(O)c(CNC(=O)c2ccc(F)cc2C)c1 ZINC001584983709 962975307 /nfs/dbraw/zinc/97/53/07/962975307.db2.gz RPTFMBHVWQSCMP-UHFFFAOYSA-N 0 0 273.307 3.078 20 10 CGCDRN C/C(=C/C(=O)N1C[C@H](C)c2ccccc21)c1cnccn1 ZINC001585535684 963021132 /nfs/dbraw/zinc/02/11/32/963021132.db2.gz XUGLJKLOAGRIDK-SUIFULHWSA-N 0 0 279.343 3.030 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1O ZINC001587445207 963193034 /nfs/dbraw/zinc/19/30/34/963193034.db2.gz WUKIKKKAQCAVCV-CHWSQXEVSA-N 0 0 285.343 3.037 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])c(F)c1)c1ccccc1O ZINC001599841510 988844415 /nfs/dbraw/zinc/84/44/15/988844415.db2.gz MTSASGGBBILTQQ-SNVBAGLBSA-N 0 0 289.306 3.080 20 10 CGCDRN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187715008 282242137 /nfs/dbraw/zinc/24/21/37/282242137.db2.gz KEUYITMFDZIWTN-RNCFNFMXSA-N 0 0 287.350 3.118 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000018215089 344890077 /nfs/dbraw/zinc/89/00/77/344890077.db2.gz ABWOVRLWYOPNSM-UHFFFAOYSA-N 0 0 274.389 3.053 20 10 CGCDRN CCCCC[C@H](C)NC(=O)CSc1nccs1 ZINC000060730096 345222202 /nfs/dbraw/zinc/22/22/02/345222202.db2.gz KSSCEFWNWJQPFE-JTQLQIEISA-N 0 0 272.439 3.320 20 10 CGCDRN CN(Cc1ccno1)Cc1ccc(N2CCCCC2)cc1 ZINC000072953283 345425026 /nfs/dbraw/zinc/42/50/26/345425026.db2.gz VCTJSNSKSBWIGP-UHFFFAOYSA-N 0 0 285.391 3.297 20 10 CGCDRN COc1ccc(O)c(CNc2ncnc3ccc(F)cc32)c1 ZINC000092654512 345849681 /nfs/dbraw/zinc/84/96/81/345849681.db2.gz CBNJTJQPHGIRPE-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N)cc1 ZINC000137511267 346095014 /nfs/dbraw/zinc/09/50/14/346095014.db2.gz NYCSSCZJZCXWAU-UHFFFAOYSA-N 0 0 280.375 3.241 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000124604600 370925451 /nfs/dbraw/zinc/92/54/51/370925451.db2.gz GATSCORGFUYDSN-QWRGUYRKSA-N 0 0 251.757 3.278 20 10 CGCDRN Oc1ccccc1CNc1cccc(-c2cc[nH]n2)c1 ZINC000037137269 369066396 /nfs/dbraw/zinc/06/63/96/369066396.db2.gz MMAMLZAVYWMCGD-UHFFFAOYSA-N 0 0 265.316 3.394 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(F)cc1[O-] ZINC000278447611 296132644 /nfs/dbraw/zinc/13/26/44/296132644.db2.gz LDZCGPPVSLPZDR-IUODEOHRSA-N 0 0 292.398 3.199 20 10 CGCDRN C[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc2S1 ZINC000493127784 244104386 /nfs/dbraw/zinc/10/43/86/244104386.db2.gz ZVWDGKDHPNRUNN-DGMVEKRQSA-N 0 0 299.399 3.340 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2cncs2)c2ccccc21 ZINC000493254229 244125790 /nfs/dbraw/zinc/12/57/90/244125790.db2.gz ITBCVCUXSPZOEO-XUIVZRPNSA-N 0 0 270.357 3.307 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)SC ZINC000134127103 371306513 /nfs/dbraw/zinc/30/65/13/371306513.db2.gz LUYQPIKXUJXZQO-GFCCVEGCSA-N 0 0 296.436 3.065 20 10 CGCDRN C/C=C/C[C@@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287816031 371709511 /nfs/dbraw/zinc/70/95/11/371709511.db2.gz UYASNJAMPPFZDA-ACIZLPDLSA-N 0 0 283.799 3.413 20 10 CGCDRN CCOc1ccc(O)c(C[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000288494801 371739675 /nfs/dbraw/zinc/73/96/75/371739675.db2.gz HOPNIPFHYKCNQF-AWEZNQCLSA-N 0 0 299.370 3.057 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc(Cl)c1[O-] ZINC000287710202 371696234 /nfs/dbraw/zinc/69/62/34/371696234.db2.gz OBEKTGQKYUOWSS-FZMZJTMJSA-N 0 0 293.798 3.372 20 10 CGCDRN CC(=O)C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000288787325 371745622 /nfs/dbraw/zinc/74/56/22/371745622.db2.gz FPCQLHZVYRJZQI-UHFFFAOYSA-N 0 0 297.685 3.004 20 10 CGCDRN CC(=O)C(=O)CSc1nc(C(C)C)nc2ccccc21 ZINC000289053869 371750837 /nfs/dbraw/zinc/75/08/37/371750837.db2.gz CFBNSXPDBKFJMH-UHFFFAOYSA-N 0 0 288.372 3.003 20 10 CGCDRN CC(C)[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC1 ZINC000293857163 372503110 /nfs/dbraw/zinc/50/31/10/372503110.db2.gz ICIOTILCDUFOTL-NSHDSACASA-N 0 0 287.762 3.184 20 10 CGCDRN CCCNC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164052819 372504004 /nfs/dbraw/zinc/50/40/04/372504004.db2.gz ZJLWDIBGMONSSZ-UHFFFAOYSA-N 0 0 272.439 3.059 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)cc1[O-] ZINC000168818288 372621635 /nfs/dbraw/zinc/62/16/35/372621635.db2.gz BYJBBIYPCMCUJK-KOLCDFICSA-N 0 0 287.425 3.031 20 10 CGCDRN Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1O ZINC000294910380 372677941 /nfs/dbraw/zinc/67/79/41/372677941.db2.gz DYEXDYCLRZNWDI-IAGOWNOFSA-N 0 0 298.386 3.106 20 10 CGCDRN CC(=O)NCc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000296333847 373093783 /nfs/dbraw/zinc/09/37/83/373093783.db2.gz GNODTLPFFHNYEH-INIZCTEOSA-N 0 0 296.370 3.128 20 10 CGCDRN Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296261752 373071796 /nfs/dbraw/zinc/07/17/96/373071796.db2.gz BSIOMTNYKCYBKS-AEFFLSMTSA-N 0 0 297.398 3.320 20 10 CGCDRN C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1nccs1 ZINC000296261376 373073247 /nfs/dbraw/zinc/07/32/47/373073247.db2.gz BRLRXECLDVWWFE-PWSUYJOCSA-N 0 0 274.389 3.229 20 10 CGCDRN COC1CCN(c2ccc(Cn3cnc(C)c3C)cc2)CC1 ZINC000297485767 373271585 /nfs/dbraw/zinc/27/15/85/373271585.db2.gz MBZIBSQSYQWHJE-UHFFFAOYSA-N 0 0 299.418 3.163 20 10 CGCDRN COc1ccc(N(C)CC2CC(F)(F)C2)cc1F ZINC000296788586 373246811 /nfs/dbraw/zinc/24/68/11/373246811.db2.gz NYOQNAFCXFYIFM-UHFFFAOYSA-N 0 0 259.271 3.316 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000297161707 373259170 /nfs/dbraw/zinc/25/91/70/373259170.db2.gz JULXSPAWIFJUHU-KBPBESRZSA-N 0 0 286.400 3.059 20 10 CGCDRN C[C@H]([NH2+]CCC(C)(F)F)c1ccc(F)c(F)c1[O-] ZINC000297337036 373266155 /nfs/dbraw/zinc/26/61/55/373266155.db2.gz OHTNGSNLBQACRZ-ZETCQYMHSA-N 0 0 265.250 3.366 20 10 CGCDRN Cc1cncc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000302207036 373826963 /nfs/dbraw/zinc/82/69/63/373826963.db2.gz FAASYRVUCGQOOI-UHFFFAOYSA-N 0 0 296.418 3.412 20 10 CGCDRN Cc1cnc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000302468674 373873665 /nfs/dbraw/zinc/87/36/65/373873665.db2.gz WFRMMYUFEMHSRC-GFCCVEGCSA-N 0 0 256.353 3.024 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1csnc1C ZINC000179703034 373907650 /nfs/dbraw/zinc/90/76/50/373907650.db2.gz ODWQYNMOQSMUID-UHFFFAOYSA-N 0 0 290.388 3.210 20 10 CGCDRN Cc1cc(CN(C)Cc2cc(Cl)cc(C)c2O)no1 ZINC000179735163 373909905 /nfs/dbraw/zinc/90/99/05/373909905.db2.gz HSGKMXNNHJVLKK-UHFFFAOYSA-N 0 0 280.755 3.282 20 10 CGCDRN c1csc(SCc2nnc(C3CC3)n2C2CC2)n1 ZINC000181094385 374078974 /nfs/dbraw/zinc/07/89/74/374078974.db2.gz GXFROWHGZXUTJL-UHFFFAOYSA-N 0 0 278.406 3.239 20 10 CGCDRN COc1ccc(N(C)Cc2cncs2)cc1Cl ZINC000180770706 374045162 /nfs/dbraw/zinc/04/51/62/374045162.db2.gz JSRZCOYKOKMAPA-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN CN(C)c1noc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000184552473 374537472 /nfs/dbraw/zinc/53/74/72/374537472.db2.gz KFMIDWJEVTWVKK-UHFFFAOYSA-N 0 0 298.437 3.182 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000471226040 375003402 /nfs/dbraw/zinc/00/34/02/375003402.db2.gz HBYXACIFXMRULC-QMTHXVAHSA-N 0 0 292.329 3.004 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CC(C)C1 ZINC000471989926 375010078 /nfs/dbraw/zinc/01/00/78/375010078.db2.gz VXMIZTWKCHPHDS-UHFFFAOYSA-N 0 0 285.391 3.084 20 10 CGCDRN Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187708623 375077423 /nfs/dbraw/zinc/07/74/23/375077423.db2.gz XFWAUFOEXNZKRA-QMMMGPOBSA-N 0 0 296.317 3.169 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccccc1 ZINC000492647320 375448315 /nfs/dbraw/zinc/44/83/15/375448315.db2.gz JEIVHMRHIAFTMN-HJWRWDBZSA-N 0 0 258.346 3.128 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C[NH+]1CCCC1 ZINC000191210094 375596145 /nfs/dbraw/zinc/59/61/45/375596145.db2.gz JTACMFIGWFEASH-NEPJUHHUSA-N 0 0 298.377 3.053 20 10 CGCDRN CC(C)Oc1ccc(N(C)CC(=O)c2cccn2C)cc1 ZINC000191594027 375641897 /nfs/dbraw/zinc/64/18/97/375641897.db2.gz BPBKRJKOEVHTSB-UHFFFAOYSA-N 0 0 286.375 3.131 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cocc1C ZINC000528827677 375911336 /nfs/dbraw/zinc/91/13/36/375911336.db2.gz ARYYYJSMFSLLGJ-UHFFFAOYSA-N 0 0 273.332 3.346 20 10 CGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1c(F)cccc1F ZINC000255229828 377743854 /nfs/dbraw/zinc/74/38/54/377743854.db2.gz WYDZBECRKXYUHB-WAYWQWQTSA-N 0 0 292.260 3.175 20 10 CGCDRN COc1ccc(N(Cc2cncn2C)[C@H](C)C2CC2)cc1 ZINC000267663615 378043451 /nfs/dbraw/zinc/04/34/51/378043451.db2.gz ZYJCXDPZLJBSLP-CYBMUJFWSA-N 0 0 285.391 3.234 20 10 CGCDRN Cc1ccccc1[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000269235574 378200413 /nfs/dbraw/zinc/20/04/13/378200413.db2.gz UDDKHAUGIPPJMO-INIZCTEOSA-N 0 0 294.398 3.136 20 10 CGCDRN CC(C)(C)c1nnc(NCc2ccccc2O)s1 ZINC000271648374 378498608 /nfs/dbraw/zinc/49/86/08/378498608.db2.gz RJTYINVPLJWWAB-UHFFFAOYSA-N 0 0 263.366 3.153 20 10 CGCDRN CCC(CC)CN(CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272505892 378653203 /nfs/dbraw/zinc/65/32/03/378653203.db2.gz UDSNLXWGOFAEHU-CSKARUKUSA-N 0 0 291.391 3.396 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c(O)c1C ZINC000273382746 378743684 /nfs/dbraw/zinc/74/36/84/378743684.db2.gz IPLWUSASIAAKMG-CJNGLKHVSA-N 0 0 299.418 3.471 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000273469411 378748857 /nfs/dbraw/zinc/74/88/57/378748857.db2.gz JJCNVGVABFCDCI-PGUXBMHVSA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000279080851 379411921 /nfs/dbraw/zinc/41/19/21/379411921.db2.gz DYTHNSADLUCCPK-WCQYABFASA-N 0 0 277.364 3.139 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCS1 ZINC000282434422 379919199 /nfs/dbraw/zinc/91/91/99/379919199.db2.gz HRVFUZRDPMUKJH-OAHLLOKOSA-N 0 0 293.432 3.417 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CO[C@H](C)CC ZINC000282581907 379948171 /nfs/dbraw/zinc/94/81/71/379948171.db2.gz WCBRPDLCSHHJSY-CQSZACIVSA-N 0 0 293.407 3.336 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[C@@H]1C ZINC000409610248 380049207 /nfs/dbraw/zinc/04/92/07/380049207.db2.gz ZPCIEBOBZHILRL-WFASDCNBSA-N 0 0 299.418 3.475 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCO2)c1c(F)cncc1F ZINC000285455549 380147196 /nfs/dbraw/zinc/14/71/96/380147196.db2.gz JJDNWXONUBRDNB-JTQLQIEISA-N 0 0 290.313 3.146 20 10 CGCDRN CCOC(CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-])OCC ZINC000286378603 380205577 /nfs/dbraw/zinc/20/55/77/380205577.db2.gz AOGNBCAKRZBLQI-AWEZNQCLSA-N 0 0 299.386 3.361 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(F)cc1[O-] ZINC000285530894 380149939 /nfs/dbraw/zinc/14/99/39/380149939.db2.gz BPVOGZQMMLAYFR-DZGCQCFKSA-N 0 0 293.338 3.207 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(F)cc1[O-] ZINC000285530900 380150952 /nfs/dbraw/zinc/15/09/52/380150952.db2.gz BPVOGZQMMLAYFR-ZFWWWQNUSA-N 0 0 293.338 3.207 20 10 CGCDRN C[C@@H]1CCC[C@@H](N(C)C(=O)C2=CC(=O)CS2)C1 ZINC000732268667 572455529 /nfs/dbraw/zinc/45/55/29/572455529.db2.gz JZVMJGOEQPULBU-NXEZZACHSA-N 0 0 253.367 3.104 20 10 CGCDRN CC1CCC(=CC(=O)N(C)Cc2ccccc2O)CC1 ZINC000118775252 392392982 /nfs/dbraw/zinc/39/29/82/392392982.db2.gz HTHXVYXOACIXRZ-UHFFFAOYSA-N 0 0 273.376 3.487 20 10 CGCDRN Cc1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c(O)c1O ZINC000177686549 392666138 /nfs/dbraw/zinc/66/61/38/392666138.db2.gz MFMUNSOJDVZYPX-DYEKYZERSA-N 0 0 289.375 3.199 20 10 CGCDRN CC(C)CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180723316 392712087 /nfs/dbraw/zinc/71/20/87/392712087.db2.gz YTHKORSOMFNMOP-CYBMUJFWSA-N 0 0 283.799 3.293 20 10 CGCDRN CCn1ncnc1CSc1ncc(C(C)(C)C)s1 ZINC000195442781 392968226 /nfs/dbraw/zinc/96/82/26/392968226.db2.gz ZLVGKZYQJAAZIH-UHFFFAOYSA-N 0 0 282.438 3.344 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC(C)C ZINC000348637912 393127012 /nfs/dbraw/zinc/12/70/12/393127012.db2.gz XOLQNHWVMLYNNA-UHFFFAOYSA-N 0 0 258.365 3.149 20 10 CGCDRN CC[C@@H]([NH2+]CCOCC(F)F)c1cccc(Cl)c1[O-] ZINC000287687833 286908555 /nfs/dbraw/zinc/90/85/55/286908555.db2.gz MZRYMSHOAOXXGJ-LLVKDONJSA-N 0 0 293.741 3.368 20 10 CGCDRN Oc1ccc(CNc2ccc3c(c2)CCC3)cc1O ZINC000019913749 170924173 /nfs/dbraw/zinc/92/41/73/170924173.db2.gz LYHUFZDBPYXQSG-UHFFFAOYSA-N 0 0 255.317 3.199 20 10 CGCDRN CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C ZINC000155713342 261105937 /nfs/dbraw/zinc/10/59/37/261105937.db2.gz ALKWQMHNJYAQEK-UHFFFAOYSA-N 0 0 287.407 3.003 20 10 CGCDRN C/C=C/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156320050 261120042 /nfs/dbraw/zinc/12/00/42/261120042.db2.gz GZCZDILMICTWFI-DSXPNFDZSA-N 0 0 271.360 3.020 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000157930140 261155740 /nfs/dbraw/zinc/15/57/40/261155740.db2.gz IITNXTGYAYSKEY-ZXIHIIQKSA-N 0 0 279.355 3.140 20 10 CGCDRN CCC[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171965690 261487726 /nfs/dbraw/zinc/48/77/26/261487726.db2.gz YGPSHNJMYMYNNL-AWEZNQCLSA-N 0 0 274.408 3.339 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCCCCC1 ZINC000183420804 261974563 /nfs/dbraw/zinc/97/45/63/261974563.db2.gz ROUYQCQWNYCLCV-GFCCVEGCSA-N 0 0 291.391 3.115 20 10 CGCDRN C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(F)cc1[O-] ZINC000185086353 262040294 /nfs/dbraw/zinc/04/02/94/262040294.db2.gz XYKMXNFYKBXCOR-SSDOTTSWSA-N 0 0 283.290 3.435 20 10 CGCDRN CCN(C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185168395 262044419 /nfs/dbraw/zinc/04/44/19/262044419.db2.gz UNVVWCLSDJDFOX-VIFPVBQESA-N 0 0 291.222 3.301 20 10 CGCDRN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185711437 262067726 /nfs/dbraw/zinc/06/77/26/262067726.db2.gz NUSKVSRBSUEPAB-IAGOWNOFSA-N 0 0 286.419 3.195 20 10 CGCDRN CC(C)C[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186386724 262091147 /nfs/dbraw/zinc/09/11/47/262091147.db2.gz ZKJBAHQAVKPQEJ-QWHCGFSZSA-N 0 0 293.407 3.217 20 10 CGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000186416118 262091993 /nfs/dbraw/zinc/09/19/93/262091993.db2.gz GWFWZCHKBRIAIY-XJKSGUPXSA-N 0 0 261.365 3.033 20 10 CGCDRN CCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCCC1 ZINC000186431666 262092275 /nfs/dbraw/zinc/09/22/75/262092275.db2.gz XHEJFJVZDNTBRS-LBPRGKRZSA-N 0 0 291.391 3.115 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287855966 263102942 /nfs/dbraw/zinc/10/29/42/263102942.db2.gz XBJYWEWIAIJKFY-CYBMUJFWSA-N 0 0 279.771 3.020 20 10 CGCDRN CCOC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000189353723 264292988 /nfs/dbraw/zinc/29/29/88/264292988.db2.gz QZCPACVRAQYNMZ-RISCZKNCSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)N(C)C)c1cccc(Cl)c1[O-] ZINC000287626918 288047535 /nfs/dbraw/zinc/04/75/35/288047535.db2.gz 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CGCDRN CCCC[C@@H](C(=O)[O-])[N@H+](CCC)Cc1ccccc1O ZINC000829277145 600852161 /nfs/dbraw/zinc/85/21/61/600852161.db2.gz RLVWLRQHXACXDD-AWEZNQCLSA-N 0 0 279.380 3.248 20 10 CGCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000828800436 601260684 /nfs/dbraw/zinc/26/06/84/601260684.db2.gz WIUJRMBFBPPIIV-UHFFFAOYSA-N 0 0 296.386 3.015 20 10 CGCDRN CC(C)(C)CC(=O)NCc1cccc(Cl)c1O ZINC000890757536 617814575 /nfs/dbraw/zinc/81/45/75/617814575.db2.gz GZYQGPFZHXQUDF-UHFFFAOYSA-N 0 0 255.745 3.098 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCCC(C)(C)C ZINC000121247297 617611193 /nfs/dbraw/zinc/61/11/93/617611193.db2.gz YHKSEYXOIVIHAZ-UHFFFAOYSA-N 0 0 278.396 3.360 20 10 CGCDRN O=C(CC1CCSCC1)NCc1cccc(Cl)c1O ZINC000890760101 617815675 /nfs/dbraw/zinc/81/56/75/617815675.db2.gz HYJJSRDLAATNBY-UHFFFAOYSA-N 0 0 299.823 3.195 20 10 CGCDRN O=C(C[C@H]1CC=CCC1)NCc1cccc(Cl)c1O ZINC000890762489 617817998 /nfs/dbraw/zinc/81/79/98/617817998.db2.gz FCLRJWFDENHYHB-NSHDSACASA-N 0 0 279.767 3.408 20 10 CGCDRN CC(C)c1nocc1C(=O)NCc1cccc(Cl)c1O ZINC000890763586 617819691 /nfs/dbraw/zinc/81/96/91/617819691.db2.gz YQKORDCSXCXQLP-UHFFFAOYSA-N 0 0 294.738 3.087 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]C(C1CC1)C1CC1 ZINC000042411785 620837343 /nfs/dbraw/zinc/83/73/43/620837343.db2.gz JMFQPROYDBEUDY-UHFFFAOYSA-N 0 0 296.208 3.433 20 10 CGCDRN CC(C)(C)/C=C/c1nc(Cc2ccc(N)cc2)no1 ZINC000843158240 617925270 /nfs/dbraw/zinc/92/52/70/617925270.db2.gz AIQIZWUIZJCXHP-CMDGGOBGSA-N 0 0 257.337 3.302 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)nn(C)c2Cl)cc1 ZINC000049969734 618035697 /nfs/dbraw/zinc/03/56/97/618035697.db2.gz CGGUXNDIBRYSJV-UHFFFAOYSA-N 0 0 279.771 3.027 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2ccnn2C2CCC2)cc1 ZINC000891398447 618184816 /nfs/dbraw/zinc/18/48/16/618184816.db2.gz YBPIHCRIIYMYLI-UHFFFAOYSA-N 0 0 298.434 3.306 20 10 CGCDRN CC[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)OC ZINC000177129474 618802513 /nfs/dbraw/zinc/80/25/13/618802513.db2.gz NNOKJPRWPZBJDS-MRVPVSSYSA-N 0 0 273.423 3.484 20 10 CGCDRN CSCCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168783915 618913942 /nfs/dbraw/zinc/91/39/42/618913942.db2.gz ULHHIUAPLWHREP-SNVBAGLBSA-N 0 0 257.374 3.325 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@@H](C)c3ccccc32)c(O)c1O ZINC000182056247 619031528 /nfs/dbraw/zinc/03/15/28/619031528.db2.gz LUMUANQQZKAGBB-LLVKDONJSA-N 0 0 283.327 3.170 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000309656795 619045333 /nfs/dbraw/zinc/04/53/33/619045333.db2.gz WDZPLJFLPGVZBB-IAZYJMLFSA-N 0 0 282.181 3.043 20 10 CGCDRN COc1cc(O)c(CNc2ccc(Cl)cn2)cc1OC ZINC000191935162 619114717 /nfs/dbraw/zinc/11/47/17/619114717.db2.gz STFTXJYUOKCRDB-UHFFFAOYSA-N 0 0 294.738 3.070 20 10 CGCDRN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776257502 619118536 /nfs/dbraw/zinc/11/85/36/619118536.db2.gz YBQWUWNPNCAKJW-TVQRCGJNSA-N 0 0 287.762 3.089 20 10 CGCDRN CCOc1ccc(CN(C)c2ccc(OC)c(OC)c2)o1 ZINC000893573216 619226644 /nfs/dbraw/zinc/22/66/44/619226644.db2.gz LXDSMGFWHJTKAE-UHFFFAOYSA-N 0 0 291.347 3.332 20 10 CGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H](C)O1 ZINC000840964941 619285232 /nfs/dbraw/zinc/28/52/32/619285232.db2.gz YRRPDONLFIWESK-UTLUCORTSA-N 0 0 287.762 3.088 20 10 CGCDRN Oc1ccc(Br)cc1CNc1cccc(F)n1 ZINC000236621425 619304594 /nfs/dbraw/zinc/30/45/94/619304594.db2.gz DGUVEFQGEHXLNE-UHFFFAOYSA-N 0 0 297.127 3.301 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000894375667 619509626 /nfs/dbraw/zinc/50/96/26/619509626.db2.gz UGTCOBULFCDTSZ-HNNXBMFYSA-N 0 0 297.345 3.061 20 10 CGCDRN COc1cc(C)cc(CNc2ccc(SC)nc2)c1O ZINC000894410823 619524887 /nfs/dbraw/zinc/52/48/87/619524887.db2.gz CKAQECAWTJAHJH-UHFFFAOYSA-N 0 0 290.388 3.438 20 10 CGCDRN C[C@H](c1ccccn1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894424195 619529876 /nfs/dbraw/zinc/52/98/76/619529876.db2.gz WTTNIMPFLPFWPR-SNVBAGLBSA-N 0 0 278.302 3.258 20 10 CGCDRN Cc1ncoc1CN(C)c1ccc(OC(C)C)cc1 ZINC000894567022 619578096 /nfs/dbraw/zinc/57/80/96/619578096.db2.gz ORWNJTBLPHQWMM-UHFFFAOYSA-N 0 0 260.337 3.407 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000185421766 625357152 /nfs/dbraw/zinc/35/71/52/625357152.db2.gz UZFKWQPLIUYSOM-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN CC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000894790363 619631985 /nfs/dbraw/zinc/63/19/85/619631985.db2.gz RUICIGULFMGIIQ-CYBMUJFWSA-N 0 0 299.361 3.450 20 10 CGCDRN CC(=O)Nc1ccc(C(=O)CSc2nccs2)cc1 ZINC000048874168 619648455 /nfs/dbraw/zinc/64/84/55/619648455.db2.gz VTIGTFNFUUAMQK-UHFFFAOYSA-N 0 0 292.385 3.077 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CC(C(F)(F)F)C2)cc1 ZINC000894891299 619670479 /nfs/dbraw/zinc/67/04/79/619670479.db2.gz YEARLYJHCHLWMQ-ARJAWSKDSA-N 0 0 284.325 3.260 20 10 CGCDRN CN1C(=O)/C(=C\c2coc3ccccc23)SC1=S ZINC000178983806 619725158 /nfs/dbraw/zinc/72/51/58/619725158.db2.gz CFVBWVJUFADXLJ-IZZDOVSWSA-N 0 0 275.354 3.264 20 10 CGCDRN CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC000895500803 619839362 /nfs/dbraw/zinc/83/93/62/619839362.db2.gz NIUNEEYLHMNYFG-UHFFFAOYSA-N 0 0 291.372 3.327 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000895677489 619867426 /nfs/dbraw/zinc/86/74/26/619867426.db2.gz MMLITLGYZLBELX-NSHDSACASA-N 0 0 299.773 3.376 20 10 CGCDRN CC[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896134070 619955674 /nfs/dbraw/zinc/95/56/74/619955674.db2.gz XGYWYZHWKZMOGO-SNVBAGLBSA-N 0 0 291.372 3.327 20 10 CGCDRN Cc1cccc(O)c1CN[C@H]1c2ccccc2OC[C@H]1F ZINC000896422092 620007155 /nfs/dbraw/zinc/00/71/55/620007155.db2.gz HOBMKUCEEQWIQA-PBHICJAKSA-N 0 0 287.334 3.262 20 10 CGCDRN COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000896609141 620036627 /nfs/dbraw/zinc/03/66/27/620036627.db2.gz WUMNDAZDUUKKNT-QMMMGPOBSA-N 0 0 275.751 3.088 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000896638973 620041297 /nfs/dbraw/zinc/04/12/97/620041297.db2.gz SFVVKJKTASZRFE-UHFFFAOYSA-N 0 0 259.271 3.199 20 10 CGCDRN CSCC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000896934541 620105902 /nfs/dbraw/zinc/10/59/02/620105902.db2.gz OUNMKSLTSLOYLZ-UHFFFAOYSA-N 0 0 287.375 3.245 20 10 CGCDRN O=C1[C@@H](Sc2ncc(Cl)s2)CCN1C1CCC1 ZINC000865372296 620395719 /nfs/dbraw/zinc/39/57/19/620395719.db2.gz OSXXXGTVHQOFMS-QMMMGPOBSA-N 0 0 288.825 3.042 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cncs1 ZINC000897929900 620450218 /nfs/dbraw/zinc/45/02/18/620450218.db2.gz DIJACLPECZFZNC-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898113010 620479954 /nfs/dbraw/zinc/47/99/54/620479954.db2.gz YGEMDDVKLSRKRN-CYBMUJFWSA-N 0 0 299.773 3.376 20 10 CGCDRN COc1cc(NCc2cc(C)c(C)cc2O)ccc1N ZINC000841041343 620523783 /nfs/dbraw/zinc/52/37/83/620523783.db2.gz GDVJAXMRQRYGHB-UHFFFAOYSA-N 0 0 272.348 3.212 20 10 CGCDRN FC(F)(F)[C@@H](Sc1nccs1)[C@@H]1CCOC1 ZINC000901477018 620891871 /nfs/dbraw/zinc/89/18/71/620891871.db2.gz MPZTWHPJBJKNNL-RQJHMYQMSA-N 0 0 269.313 3.203 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@@H]2C[C@H]3COC[C@H]3O2)s1 ZINC000901509329 620907480 /nfs/dbraw/zinc/90/74/80/620907480.db2.gz MWAFXHPHWHGXKN-GARJFASQSA-N 0 0 299.461 3.337 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903393853 621719447 /nfs/dbraw/zinc/71/94/47/621719447.db2.gz URSWOILFMMDUHA-YVZVNANGSA-N 0 0 290.190 3.385 20 10 CGCDRN Cc1ncccc1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000903416691 621735310 /nfs/dbraw/zinc/73/53/10/621735310.db2.gz VQWJQZSZJNOPTO-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCc1ccc(O)cc1O ZINC000910943691 622511448 /nfs/dbraw/zinc/51/14/48/622511448.db2.gz FNUQOZCINRFYBS-GFCCVEGCSA-N 0 0 279.380 3.176 20 10 CGCDRN CCCc1ccccc1C(=O)NCCc1ccc(N)cc1 ZINC000911782194 622550023 /nfs/dbraw/zinc/55/00/23/622550023.db2.gz DRCPYVHESSEDCU-UHFFFAOYSA-N 0 0 282.387 3.194 20 10 CGCDRN COC(=O)Nc1cccc(NCc2cc(F)ccc2O)c1 ZINC000226580758 622983996 /nfs/dbraw/zinc/98/39/96/622983996.db2.gz XADKINLUQDZXHD-UHFFFAOYSA-N 0 0 290.294 3.322 20 10 CGCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226586170 622985401 /nfs/dbraw/zinc/98/54/01/622985401.db2.gz ZYSRMCJGTQHPRD-NEPJUHHUSA-N 0 0 251.345 3.447 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc2c(c1)OCCCO2 ZINC000226585604 622987068 /nfs/dbraw/zinc/98/70/68/622987068.db2.gz YQBGPUAMVZLZIR-UHFFFAOYSA-N 0 0 289.306 3.305 20 10 CGCDRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000229443410 623131802 /nfs/dbraw/zinc/13/18/02/623131802.db2.gz IBYFRGZFHFUFOC-GRYCIOLGSA-N 0 0 261.369 3.167 20 10 CGCDRN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230152113 623212700 /nfs/dbraw/zinc/21/27/00/623212700.db2.gz LQKCFPLJOLGGNV-AMIZOPFISA-N 0 0 290.190 3.356 20 10 CGCDRN CC(C)[C@@H](C)C(=O)NCCCSc1nccs1 ZINC000172197538 623232633 /nfs/dbraw/zinc/23/26/33/623232633.db2.gz CCOVSKYXHPUGDW-SNVBAGLBSA-N 0 0 272.439 3.034 20 10 CGCDRN COc1ccc(N[C@@H](C)c2ccc(F)cc2O)cn1 ZINC000062744684 623264421 /nfs/dbraw/zinc/26/44/21/623264421.db2.gz GWCVLWJKKMJEJT-VIFPVBQESA-N 0 0 262.284 3.108 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCSC1 ZINC000230705262 623265402 /nfs/dbraw/zinc/26/54/02/623265402.db2.gz LLFCBJPATPSTDM-VIFPVBQESA-N 0 0 278.204 3.294 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CCC(F)(F)F ZINC000063099785 623296689 /nfs/dbraw/zinc/29/66/89/623296689.db2.gz DSBSAEMGJNIUSJ-UHFFFAOYSA-N 0 0 298.102 3.197 20 10 CGCDRN CC1CCC(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000063147461 623302375 /nfs/dbraw/zinc/30/23/75/623302375.db2.gz TYNAHVNURNPALW-UHFFFAOYSA-N 0 0 261.369 3.217 20 10 CGCDRN Cc1cc(NCc2ccccc2O)c(F)cc1[N+](=O)[O-] ZINC000312605892 623552202 /nfs/dbraw/zinc/55/22/02/623552202.db2.gz STZHFDOHNXOMGC-UHFFFAOYSA-N 0 0 276.267 3.360 20 10 CGCDRN COC(=O)c1cccc(CSc2nccs2)c1 ZINC000914862524 623869614 /nfs/dbraw/zinc/86/96/14/623869614.db2.gz JIWLURZVNMQYAH-UHFFFAOYSA-N 0 0 265.359 3.222 20 10 CGCDRN Cc1occc1-c1nnc(Sc2nccs2)o1 ZINC000914862740 623870185 /nfs/dbraw/zinc/87/01/85/623870185.db2.gz CFTUXFDVBFVQQG-UHFFFAOYSA-N 0 0 265.319 3.246 20 10 CGCDRN CC(C)N(C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000788040296 623979927 /nfs/dbraw/zinc/97/99/27/623979927.db2.gz WEZYKOAZUXNNFG-UHFFFAOYSA-N 0 0 291.439 3.423 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2c(C)cc(C)cc2C)c1 ZINC000154120975 624201604 /nfs/dbraw/zinc/20/16/04/624201604.db2.gz FBQHQTHVDBHATQ-UHFFFAOYSA-N 0 0 299.370 3.256 20 10 CGCDRN Cc1ccoc1CN1CCOc2cc(N(C)C)ccc21 ZINC000154918832 624392394 /nfs/dbraw/zinc/39/23/94/624392394.db2.gz JJUXBBOXGHYLOS-UHFFFAOYSA-N 0 0 272.348 3.053 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccsc2[N+](=O)[O-])cc1 ZINC000920338382 624480840 /nfs/dbraw/zinc/48/08/40/624480840.db2.gz UDPJFAXMFHEGDI-UHFFFAOYSA-N 0 0 291.376 3.359 20 10 CGCDRN COC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000180054708 624711759 /nfs/dbraw/zinc/71/17/59/624711759.db2.gz FNQNEGAEJGUBCZ-UHFFFAOYSA-N 0 0 285.343 3.408 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2[nH]ccc21 ZINC000180736560 624770090 /nfs/dbraw/zinc/77/00/90/624770090.db2.gz GMSUQIBZKYZOFY-FNORWQNLSA-N 0 0 294.310 3.231 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ccc2O)cc1F ZINC000180773290 624771207 /nfs/dbraw/zinc/77/12/07/624771207.db2.gz FZNWUDUXAROJBB-UHFFFAOYSA-N 0 0 275.323 3.485 20 10 CGCDRN CCC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 ZINC000181200015 624824027 /nfs/dbraw/zinc/82/40/27/624824027.db2.gz XETDSWNGERRQDB-SOFGYWHQSA-N 0 0 289.375 3.198 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CCCC[C@@H]1C ZINC000182309892 624980884 /nfs/dbraw/zinc/98/08/84/624980884.db2.gz UJOFXIUGJRTXFW-FZMZJTMJSA-N 0 0 291.391 3.447 20 10 CGCDRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182521900 625010511 /nfs/dbraw/zinc/01/05/11/625010511.db2.gz YZJCEEPBKQTJDL-SMDDNHRTSA-N 0 0 291.391 3.447 20 10 CGCDRN COC(=O)c1cccc(NCc2cc(C)ccc2O)c1C ZINC000071407617 625090842 /nfs/dbraw/zinc/09/08/42/625090842.db2.gz QHNMESCCKKKDNZ-UHFFFAOYSA-N 0 0 285.343 3.408 20 10 CGCDRN C[C@@H](Nc1cnn(CC2CC2)c1)c1ccccc1O ZINC000183668471 625103408 /nfs/dbraw/zinc/10/34/08/625103408.db2.gz NBEGVQAJBRTXDL-LLVKDONJSA-N 0 0 257.337 3.172 20 10 CGCDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000184626300 625254893 /nfs/dbraw/zinc/25/48/93/625254893.db2.gz FOJHDKUFIGRJID-DZGCQCFKSA-N 0 0 274.408 3.195 20 10 CGCDRN Cc1cc(C(=O)N2CCCCC2)c(C)n1-c1ccccn1 ZINC000073743955 626040110 /nfs/dbraw/zinc/04/01/10/626040110.db2.gz DQLVEIQOJADXQJ-UHFFFAOYSA-N 0 0 283.375 3.115 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922877061 626060535 /nfs/dbraw/zinc/06/05/35/626060535.db2.gz CDQYBYIBROXCLW-CQSZACIVSA-N 0 0 290.313 3.233 20 10 CGCDRN C[C@H](NC(=S)NC1(C)CCC1)c1ccc(N(C)C)cc1 ZINC000840740231 626084599 /nfs/dbraw/zinc/08/45/99/626084599.db2.gz AGCCUJZAVRHUKX-LBPRGKRZSA-N 0 0 291.464 3.220 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000840818950 626329386 /nfs/dbraw/zinc/32/93/86/626329386.db2.gz DPGXIFSFBMCOAS-HKCMKHECSA-N 0 0 289.375 3.018 20 10 CGCDRN CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(Cl)c1[O-] ZINC000806139748 626367696 /nfs/dbraw/zinc/36/76/96/626367696.db2.gz RGAYFZKXHFXBBN-ZFWWWQNUSA-N 0 0 283.799 3.247 20 10 CGCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1C ZINC000751530568 626394614 /nfs/dbraw/zinc/39/46/14/626394614.db2.gz 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ZINC000756552256 626714351 /nfs/dbraw/zinc/71/43/51/626714351.db2.gz DHIOXTDRIGQKSE-SNVBAGLBSA-N 0 0 266.341 3.387 20 10 CGCDRN CSCC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756586956 626718459 /nfs/dbraw/zinc/71/84/59/626718459.db2.gz XHXLWBNXQDBADX-ZJUUUORDSA-N 0 0 284.381 3.093 20 10 CGCDRN CCCC[C@@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756585949 626718672 /nfs/dbraw/zinc/71/86/72/626718672.db2.gz OYGZCNIPHYYXQL-NEPJUHHUSA-N 0 0 296.367 3.156 20 10 CGCDRN CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756610813 626720845 /nfs/dbraw/zinc/72/08/45/626720845.db2.gz QVDXJCGPJHZOCF-HOSYDEDBSA-N 0 0 296.392 3.235 20 10 CGCDRN CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC000874145064 634519284 /nfs/dbraw/zinc/51/92/84/634519284.db2.gz OIPZPWOMUQAICI-UHFFFAOYSA-N 0 0 288.351 3.302 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(F)cc1[O-] ZINC000756760868 626730020 /nfs/dbraw/zinc/73/00/20/626730020.db2.gz ROOCLTWBWBRTTR-LLVKDONJSA-N 0 0 287.334 3.412 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000756766721 626730035 /nfs/dbraw/zinc/73/00/35/626730035.db2.gz BPFHAPFLYHYVQN-RYUDHWBXSA-N 0 0 279.380 3.264 20 10 CGCDRN CS[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756770369 626730771 /nfs/dbraw/zinc/73/07/71/626730771.db2.gz UTDCGEIHHUAWIY-JGVFFNPUSA-N 0 0 261.337 3.073 20 10 CGCDRN Oc1ccc(CCNc2ncccc2C(F)(F)F)cc1O ZINC000756949532 626742485 /nfs/dbraw/zinc/74/24/85/626742485.db2.gz JOTODIAGBKSSSF-UHFFFAOYSA-N 0 0 298.264 3.166 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCC2(O)CCC2)cc1 ZINC000839579309 626762846 /nfs/dbraw/zinc/76/28/46/626762846.db2.gz HTQKMWOBGNPSJT-UHFFFAOYSA-N 0 0 263.381 3.215 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1nccs1)CCC2 ZINC000839656959 626770355 /nfs/dbraw/zinc/77/03/55/626770355.db2.gz WWTKGOCUPGYMSE-UHFFFAOYSA-N 0 0 290.388 3.113 20 10 CGCDRN CNc1ccccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000839728302 626783171 /nfs/dbraw/zinc/78/31/71/626783171.db2.gz JXCTXPUIXVEDNE-CYBMUJFWSA-N 0 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3.234 20 10 CGCDRN CCC(CC)[C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000761967317 627075902 /nfs/dbraw/zinc/07/59/02/627075902.db2.gz LLVQXBKRURVDRU-NSHDSACASA-N 0 0 279.380 3.089 20 10 CGCDRN Fc1cc(-c2nc(-c3ccon3)no2)ccc1-n1cccc1 ZINC000762328382 627105841 /nfs/dbraw/zinc/10/58/41/627105841.db2.gz WCJJCFQUULEUTN-UHFFFAOYSA-N 0 0 296.261 3.321 20 10 CGCDRN CC(C)(C)CN1CCC[C@H](Sc2nccs2)C1=O ZINC000763484850 627160372 /nfs/dbraw/zinc/16/03/72/627160372.db2.gz NQXLXIHXQFDZKP-JTQLQIEISA-N 0 0 284.450 3.272 20 10 CGCDRN CCOc1ccc(CN2CCOc3ccccc32)c(O)c1 ZINC000765636299 627264614 /nfs/dbraw/zinc/26/46/14/627264614.db2.gz PXEPKYNKYLGEHZ-UHFFFAOYSA-N 0 0 285.343 3.190 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCC1(C)C)c1ccc(N(C)C)cc1 ZINC000805311017 627268173 /nfs/dbraw/zinc/26/81/73/627268173.db2.gz XCHGJIPRKUQRAN-SWLSCSKDSA-N 0 0 289.423 3.301 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ccncc1 ZINC000766270060 627309060 /nfs/dbraw/zinc/30/90/60/627309060.db2.gz OTUOLGFKPSSJDH-UHFFFAOYSA-N 0 0 268.360 3.433 20 10 CGCDRN c1csc(SCc2nncn2-c2ccccc2)n1 ZINC000767061816 627379533 /nfs/dbraw/zinc/37/95/33/627379533.db2.gz NBSKQIZTNCWJSE-UHFFFAOYSA-N 0 0 274.374 3.016 20 10 CGCDRN CCC1(CC)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000874629280 634575395 /nfs/dbraw/zinc/57/53/95/634575395.db2.gz CPZFKMVFSOOCLA-CLFYSBASSA-N 0 0 289.375 3.292 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC(C)(C)C2)cc1 ZINC000768392813 627477950 /nfs/dbraw/zinc/47/79/50/627477950.db2.gz ZNUZJKHXYYLMMZ-CQSZACIVSA-N 0 0 289.423 3.131 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@@H](C)OC[C@@H]2C)cc1F ZINC000768537103 627485450 /nfs/dbraw/zinc/48/54/50/627485450.db2.gz LRJSOAJWUXXPIF-UONOGXRCSA-N 0 0 294.414 3.281 20 10 CGCDRN C[C@H](COc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000769282043 627536094 /nfs/dbraw/zinc/53/60/94/627536094.db2.gz HXSCKHMOLZXSAC-CQSZACIVSA-N 0 0 299.370 3.066 20 10 CGCDRN C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000769418528 627550414 /nfs/dbraw/zinc/55/04/14/627550414.db2.gz RZWSWLZWTWWKQB-TVQRCGJNSA-N 0 0 297.301 3.038 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291.391 3.404 20 10 CGCDRN C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773614943 627900405 /nfs/dbraw/zinc/90/04/05/627900405.db2.gz VASYAGUVMFCVIP-HZSPNIEDSA-N 0 0 289.423 3.254 20 10 CGCDRN CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775030165 628054960 /nfs/dbraw/zinc/05/49/60/628054960.db2.gz QYYXYYNYCWEVQI-WDEREUQCSA-N 0 0 296.367 3.223 20 10 CGCDRN C[C@@H](NC(=O)/C=C\c1cccnc1)c1ccc(N(C)C)cc1 ZINC000775409351 628091662 /nfs/dbraw/zinc/09/16/62/628091662.db2.gz FPIKFBBKPNBSBI-RQWJFSOLSA-N 0 0 295.386 3.038 20 10 CGCDRN CCc1cnccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775410498 628092676 /nfs/dbraw/zinc/09/26/76/628092676.db2.gz LMAFGIYLQGXHPF-CYBMUJFWSA-N 0 0 297.402 3.201 20 10 CGCDRN CC[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000775491804 628100030 /nfs/dbraw/zinc/10/00/30/628100030.db2.gz KNGAFCJGNLOJPB-ZDUSSCGKSA-N 0 0 279.771 3.020 20 10 CGCDRN CCCNC(=O)CC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775493593 628100570 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/nfs/dbraw/zinc/18/10/19/628181019.db2.gz HTNXNRAMCIZTJG-GFCCVEGCSA-N 0 0 271.788 3.340 20 10 CGCDRN C[C@H](NC(=O)N1[C@@H](C)CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776240519 628183582 /nfs/dbraw/zinc/18/35/82/628183582.db2.gz YXLNVQXYMPROCS-IHRRRGAJSA-N 0 0 289.423 3.396 20 10 CGCDRN CCC1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000776239612 628183593 /nfs/dbraw/zinc/18/35/93/628183593.db2.gz UUSXOJYKKLNNTK-ZDUSSCGKSA-N 0 0 289.423 3.446 20 10 CGCDRN COc1ccc(NCc2cc(Cl)cc(C)c2O)nc1 ZINC000776250826 628184387 /nfs/dbraw/zinc/18/43/87/628184387.db2.gz MOJAVDQPFRPHQZ-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN Cc1c(NC(=O)C2=CC(=O)CS2)cccc1N(C)C ZINC000776249937 628184565 /nfs/dbraw/zinc/18/45/65/628184565.db2.gz AGXQGEALZGVTNQ-UHFFFAOYSA-N 0 0 276.361 3.080 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000776473201 628212777 /nfs/dbraw/zinc/21/27/77/628212777.db2.gz HCPYPINDCYAHAZ-GRYCIOLGSA-N 0 0 277.364 3.014 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000776476848 628213073 /nfs/dbraw/zinc/21/30/73/628213073.db2.gz PDSRCFPIVMUPLM-QWRGUYRKSA-N 0 0 284.450 3.178 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCC(F)(F)C2)c1O ZINC000776692865 628225481 /nfs/dbraw/zinc/22/54/81/628225481.db2.gz FBMJXEDUUZKMGR-UHFFFAOYSA-N 0 0 261.699 3.195 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)CC2 ZINC000777861405 628305010 /nfs/dbraw/zinc/30/50/10/628305010.db2.gz QNNSIPDPVPAEEO-VURMDHGXSA-N 0 0 278.355 3.301 20 10 CGCDRN O=C1N[C@H](c2cccc(F)c2O)Nc2cc(Cl)ccc21 ZINC000778520363 628353970 /nfs/dbraw/zinc/35/39/70/628353970.db2.gz VAJAQTCPPSQZHX-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN O=C1N[C@@H](c2cccc(F)c2O)Nc2cccc(Cl)c21 ZINC000778526526 628354392 /nfs/dbraw/zinc/35/43/92/628354392.db2.gz WNMUBVALPAHQKD-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000779484339 628415618 /nfs/dbraw/zinc/41/56/18/628415618.db2.gz IGVPZSJHAOIEEQ-DAXSKMNVSA-N 0 0 295.338 3.009 20 10 CGCDRN CC/C(C)=C(\C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000779885703 628440225 /nfs/dbraw/zinc/44/02/25/628440225.db2.gz YZBFIQGWJISGBC-BUHFOSPRSA-N 0 0 286.419 3.432 20 10 CGCDRN O=S(=O)(Nc1ccc(O)cc1)c1cccc(C(F)F)c1 ZINC000780366204 628485009 /nfs/dbraw/zinc/48/50/09/628485009.db2.gz TYIVTZDVANNOKX-UHFFFAOYSA-N 0 0 299.298 3.131 20 10 CGCDRN Cc1cc(F)cc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000780985729 628528427 /nfs/dbraw/zinc/52/84/27/628528427.db2.gz ULINMTMFQZZXGM-UHFFFAOYSA-N 0 0 275.279 3.106 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)co1 ZINC000781036621 628531184 /nfs/dbraw/zinc/53/11/84/628531184.db2.gz VPWATSJUVDBXNQ-GFCCVEGCSA-N 0 0 272.348 3.145 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC000781566164 628572478 /nfs/dbraw/zinc/57/24/78/628572478.db2.gz NXWKJCBJXYKVSJ-AWEZNQCLSA-N 0 0 274.408 3.195 20 10 CGCDRN COC(=O)[C@@H](Sc1ncc(C(C)(C)C)s1)C1CC1 ZINC000781604062 628577962 /nfs/dbraw/zinc/57/79/62/628577962.db2.gz HGFUJYISDKCWAB-JTQLQIEISA-N 0 0 285.434 3.484 20 10 CGCDRN CCCCC[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874985340 634668061 /nfs/dbraw/zinc/66/80/61/634668061.db2.gz QGHWIJYYXWXDMF-LBPRGKRZSA-N 0 0 276.380 3.386 20 10 CGCDRN CCOc1ccc(CNc2cccc3c2OCO3)c(O)c1 ZINC000782381559 628643032 /nfs/dbraw/zinc/64/30/32/628643032.db2.gz NNEUFYIAAWPPCU-UHFFFAOYSA-N 0 0 287.315 3.132 20 10 CGCDRN C[C@@H]1C[C@H](COc2ccc(N3CCCC3)cc2)CCO1 ZINC000783040562 628674179 /nfs/dbraw/zinc/67/41/79/628674179.db2.gz UANBXJTWHIUKGS-HUUCEWRRSA-N 0 0 275.392 3.481 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C\c1cnccc1C ZINC000784099259 628779151 /nfs/dbraw/zinc/77/91/51/628779151.db2.gz MORZRKMKVMBUCO-XQRVVYSFSA-N 0 0 278.355 3.301 20 10 CGCDRN O=C(OCCSc1ccccc1)c1cccc(O)c1O ZINC000784787496 628833562 /nfs/dbraw/zinc/83/35/62/628833562.db2.gz JOUILHWSJAJHMI-UHFFFAOYSA-N 0 0 290.340 3.047 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccnc1OC ZINC000785638085 628876781 /nfs/dbraw/zinc/87/67/81/628876781.db2.gz WKXFEEMZIAGECI-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc2[nH]ccc2c1 ZINC000788546090 629064410 /nfs/dbraw/zinc/06/44/10/629064410.db2.gz AMBHLPUSYKKVOV-ZZXKWVIFSA-N 0 0 292.342 3.024 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(C(F)(F)F)nn2)c1 ZINC000788866881 629088057 /nfs/dbraw/zinc/08/80/57/629088057.db2.gz ITSHRBUEIKGPJA-UHFFFAOYSA-N 0 0 283.253 3.122 20 10 CGCDRN O=C(COC(=O)C1=CC(=O)CS1)C1CCCCCC1 ZINC000788943145 629091107 /nfs/dbraw/zinc/09/11/07/629091107.db2.gz VQNGGIGPVDWNAI-UHFFFAOYSA-N 0 0 282.361 3.150 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000790494416 629213821 /nfs/dbraw/zinc/21/38/21/629213821.db2.gz DMSHNBKFJLNPJR-IUCAKERBSA-N 0 0 273.348 3.074 20 10 CGCDRN O=C(NCc1ccccc1O)C12CC(c3ccccc3)(C1)C2 ZINC000790793540 629230875 /nfs/dbraw/zinc/23/08/75/629230875.db2.gz FXETXVCSCVMVGV-UHFFFAOYSA-N 0 0 293.366 3.130 20 10 CGCDRN CCCCC[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000790892550 629239445 /nfs/dbraw/zinc/23/94/45/629239445.db2.gz BFNNNLOLGKWYBR-LBPRGKRZSA-N 0 0 277.364 3.283 20 10 CGCDRN Cc1ncsc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790959938 629243782 /nfs/dbraw/zinc/24/37/82/629243782.db2.gz MCCYPGCHLRUYNK-UHFFFAOYSA-N 0 0 286.759 3.239 20 10 CGCDRN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790970439 629244133 /nfs/dbraw/zinc/24/41/33/629244133.db2.gz JDIFKRSORWOTJU-UWVGGRQHSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@H]1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790993742 629248195 /nfs/dbraw/zinc/24/81/95/629248195.db2.gz YKNHLFDZHQGXOM-DTWKUNHWSA-N 0 0 257.736 3.463 20 10 CGCDRN CC[C@H](C)n1ncc(NCc2c(O)cccc2OC)c1C ZINC000791004478 629249005 /nfs/dbraw/zinc/24/90/05/629249005.db2.gz JXPCVVRIAJSTSK-NSHDSACASA-N 0 0 289.379 3.489 20 10 CGCDRN CC(C)n1nccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000792763591 629379321 /nfs/dbraw/zinc/37/93/21/629379321.db2.gz VVNJDNSALCACCY-UHFFFAOYSA-N 0 0 286.423 3.162 20 10 CGCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000862529492 629390979 /nfs/dbraw/zinc/39/09/79/629390979.db2.gz MBSNCGKOESGLCQ-KBPBESRZSA-N 0 0 287.384 3.376 20 10 CGCDRN CCc1cccc(C[N@@H+]2Cc3cccc(OC)c3C2)c1O ZINC000862529890 629391959 /nfs/dbraw/zinc/39/19/59/629391959.db2.gz QYSPIHBQNJEIGU-UHFFFAOYSA-N 0 0 283.371 3.479 20 10 CGCDRN CCC1(CC)CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000836218387 634734094 /nfs/dbraw/zinc/73/40/94/634734094.db2.gz YERUIUQXSZUHGN-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3cc(F)ccc32)c1 ZINC000862753875 629429035 /nfs/dbraw/zinc/42/90/35/629429035.db2.gz JWORMJODSZCKPQ-MRXNPFEDSA-N 0 0 299.345 3.186 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCc3ccccc3C2)c1 ZINC000862755076 629429812 /nfs/dbraw/zinc/42/98/12/629429812.db2.gz OIMNTXLWOMPYAT-INIZCTEOSA-N 0 0 295.382 3.122 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000862757365 629429937 /nfs/dbraw/zinc/42/99/37/629429937.db2.gz QZRIQDYGBIZWIZ-LBPRGKRZSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2C2CCCC2)c1 ZINC000862755720 629430037 /nfs/dbraw/zinc/43/00/37/629430037.db2.gz WWSSPRYCDRMWMN-GJZGRUSLSA-N 0 0 273.376 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2OC(C)C)c1 ZINC000862759319 629430678 /nfs/dbraw/zinc/43/06/78/629430678.db2.gz BMMKXDIINBHCCK-UHFFFAOYSA-N 0 0 299.370 3.418 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCO[C@H](C)CC(C)C)c1 ZINC000862758007 629430696 /nfs/dbraw/zinc/43/06/96/629430696.db2.gz LMRRFURAMSXODX-CQSZACIVSA-N 0 0 293.407 3.158 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)COc2ccccc2)c1 ZINC000862758408 629430781 /nfs/dbraw/zinc/43/07/81/629430781.db2.gz XXRNDEKPAMKKNQ-CQSZACIVSA-N 0 0 299.370 3.032 20 10 CGCDRN CCCCS[C@@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862758583 629431075 /nfs/dbraw/zinc/43/10/75/629431075.db2.gz DLGWGWOXUPHWLA-LBPRGKRZSA-N 0 0 281.421 3.239 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cnc(C(C)C)s2)c1 ZINC000862758112 629431087 /nfs/dbraw/zinc/43/10/87/629431087.db2.gz OTKKLQDMEBUAGS-UHFFFAOYSA-N 0 0 290.388 3.211 20 10 CGCDRN COc1ccc(CNC(=O)c2cc3ccccc3o2)c(O)c1 ZINC000794383920 629538309 /nfs/dbraw/zinc/53/83/09/629538309.db2.gz TUBZCWDDOUFURC-UHFFFAOYSA-N 0 0 297.310 3.077 20 10 CGCDRN COc1ccc(CNC(=O)C2CCC(C)(C)CC2)c(O)c1 ZINC000794388112 629538717 /nfs/dbraw/zinc/53/87/17/629538717.db2.gz PQINVZHIJYCEHY-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN CC[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(F)cc1[O-] ZINC000796766732 629829263 /nfs/dbraw/zinc/82/92/63/629829263.db2.gz WLTSTFZEDCIDFG-INIZCTEOSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(F)cc1[O-] ZINC000796945348 629863278 /nfs/dbraw/zinc/86/32/78/629863278.db2.gz PMFNPCCVXLYELL-KBPBESRZSA-N 0 0 295.379 3.367 20 10 CGCDRN COc1ccc(N(Cc2ccco2)C[C@H](C)CO)cc1F ZINC000121443559 634774495 /nfs/dbraw/zinc/77/44/95/634774495.db2.gz XDABRIHEMUAHPW-LBPRGKRZSA-N 0 0 293.338 3.062 20 10 CGCDRN CC(=O)C(=O)COC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000808520817 629945527 /nfs/dbraw/zinc/94/55/27/629945527.db2.gz YOFBSAMZWMNJHL-GFCCVEGCSA-N 0 0 290.359 3.005 20 10 CGCDRN CCc1occc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000797441346 629947130 /nfs/dbraw/zinc/94/71/30/629947130.db2.gz BTUFJGNRXSTJFU-UHFFFAOYSA-N 0 0 298.386 3.154 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)N(C)Cc2ccccc2O)[C@@H]1c1ccccc1 ZINC000797737839 629978563 /nfs/dbraw/zinc/97/85/63/629978563.db2.gz LAQLZZFUKPOXCW-DOPJRALCSA-N 0 0 295.382 3.400 20 10 CGCDRN CN(CCCSc1nccs1)C(=O)OC(C)(C)C ZINC000797806481 629985244 /nfs/dbraw/zinc/98/52/44/629985244.db2.gz PQAQOKDZBDFSOR-UHFFFAOYSA-N 0 0 288.438 3.492 20 10 CGCDRN CCC(C)(C)NC(=S)N[C@@H](C)c1ccccc1O ZINC000865269792 630041898 /nfs/dbraw/zinc/04/18/98/630041898.db2.gz ADWMJKVAZLHUHF-JTQLQIEISA-N 0 0 266.410 3.106 20 10 CGCDRN O=[N+]([O-])c1cnc(Sc2cc(F)ccc2F)s1 ZINC000799924902 630244414 /nfs/dbraw/zinc/24/44/14/630244414.db2.gz AFJOESMIUAUCJV-UHFFFAOYSA-N 0 0 274.273 3.481 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C2=CCC(C)(C)CC2)c1 ZINC000836777722 634800484 /nfs/dbraw/zinc/80/04/84/634800484.db2.gz NTPGSRTXDCZHBT-UHFFFAOYSA-N 0 0 289.375 3.154 20 10 CGCDRN Oc1ccc(F)cc1CN1CCCC[C@H]1C(F)F ZINC000800533532 630291823 /nfs/dbraw/zinc/29/18/23/630291823.db2.gz POVGHXXOLBSJEJ-NSHDSACASA-N 0 0 259.271 3.151 20 10 CGCDRN CC[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915468 630294519 /nfs/dbraw/zinc/29/45/19/630294519.db2.gz FLLNMJTVFXEFCI-GXTWGEPZSA-N 0 0 276.424 3.154 20 10 CGCDRN CC(C)=CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917067 630294984 /nfs/dbraw/zinc/29/49/84/630294984.db2.gz YLFJGLZWUFUWJB-CQSZACIVSA-N 0 0 274.408 3.074 20 10 CGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccsc1 ZINC000801441331 630335069 /nfs/dbraw/zinc/33/50/69/630335069.db2.gz YSSQPYCHSWWFST-RXNUUUNCSA-N 0 0 289.356 3.050 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC=CO1 ZINC000801549806 630343022 /nfs/dbraw/zinc/34/30/22/630343022.db2.gz AYAMIDSSIWAVPW-INIZCTEOSA-N 0 0 289.375 3.214 20 10 CGCDRN CCCN(Cc1ccccc1O)c1cc(C)nc(CC)n1 ZINC000804561582 630537787 /nfs/dbraw/zinc/53/77/87/630537787.db2.gz LTPQSHOGHFYAEX-UHFFFAOYSA-N 0 0 285.391 3.470 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CCO)C1CC1)c1cccc(Cl)c1[O-] ZINC000806147420 630548981 /nfs/dbraw/zinc/54/89/81/630548981.db2.gz XCCOTCHJINDHJO-ZIAGYGMSSA-N 0 0 283.799 3.247 20 10 CGCDRN C=Cn1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000809776057 630803642 /nfs/dbraw/zinc/80/36/42/630803642.db2.gz RMGKWWDCEDYFJX-UHFFFAOYSA-N 0 0 298.173 3.286 20 10 CGCDRN Cc1cc(Cl)cc(CN[C@H](C)C(F)(F)F)c1O ZINC000809783493 630808691 /nfs/dbraw/zinc/80/86/91/630808691.db2.gz FGKXUZGAJGISIJ-SSDOTTSWSA-N 0 0 267.678 3.394 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000809787307 630808748 /nfs/dbraw/zinc/80/87/48/630808748.db2.gz YPHNTUXCZUGDBF-IAQYHMDHSA-N 0 0 291.778 3.257 20 10 CGCDRN CCCCN(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000809792579 630811698 /nfs/dbraw/zinc/81/16/98/630811698.db2.gz AXZURCOORSKRPN-LBPRGKRZSA-N 0 0 284.831 3.256 20 10 CGCDRN COc1cc(F)c(F)cc1NCc1ccccc1O ZINC000810164544 630848945 /nfs/dbraw/zinc/84/89/45/630848945.db2.gz JLZBDITWOHXWIS-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000810264017 630862320 /nfs/dbraw/zinc/86/23/20/630862320.db2.gz WAMAVIXRDRBSJM-STQMWFEESA-N 0 0 282.403 3.302 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCSC1 ZINC000810305860 630868363 /nfs/dbraw/zinc/86/83/63/630868363.db2.gz WAGZGFYCLPRAMC-AWEZNQCLSA-N 0 0 293.432 3.274 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(F)c2C(C)=O)c1 ZINC000811806188 631121042 /nfs/dbraw/zinc/12/10/42/631121042.db2.gz LPRPEENETOQBJO-UHFFFAOYSA-N 0 0 289.306 3.355 20 10 CGCDRN COc1ccc(O)c(CNc2nccc3occc32)c1 ZINC000811805824 631121145 /nfs/dbraw/zinc/12/11/45/631121145.db2.gz BGNYREPDXIGCNI-UHFFFAOYSA-N 0 0 270.288 3.154 20 10 CGCDRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000812498856 631269607 /nfs/dbraw/zinc/26/96/07/631269607.db2.gz WTTOWUUGBYGRMJ-MISXGVKJSA-N 0 0 277.364 3.014 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000876514538 634849564 /nfs/dbraw/zinc/84/95/64/634849564.db2.gz XTDHYDKQAINMEM-ZDUSSCGKSA-N 0 0 278.302 3.336 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1c(OC)cccc1OC ZINC000813334481 631413189 /nfs/dbraw/zinc/41/31/89/631413189.db2.gz LJPBKMPXHLFXRQ-UHFFFAOYSA-N 0 0 299.370 3.275 20 10 CGCDRN CC[C@H](C)CONC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000813719163 631456561 /nfs/dbraw/zinc/45/65/61/631456561.db2.gz LRKOLMOSRIACFN-STQMWFEESA-N 0 0 293.411 3.091 20 10 CGCDRN CC[C@@H]1CCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000813719989 631456624 /nfs/dbraw/zinc/45/66/24/631456624.db2.gz QJOLOTYAIOFISS-GXTWGEPZSA-N 0 0 275.396 3.008 20 10 CGCDRN CCN(CCC1(OC)CCC1)c1ccc(OC)cc1 ZINC000815066410 631710467 /nfs/dbraw/zinc/71/04/67/631710467.db2.gz NQCYULPLOCYYJS-UHFFFAOYSA-N 0 0 263.381 3.481 20 10 CGCDRN C[C@@H](C(=O)NCCCSc1nccs1)C(C)(F)F ZINC000815590993 631802230 /nfs/dbraw/zinc/80/22/30/631802230.db2.gz RRDNEJNCTVPDLV-QMMMGPOBSA-N 0 0 294.392 3.033 20 10 CGCDRN Cc1nocc1CN(Cc1ccco1)Cc1ccccc1O ZINC000816478196 631988180 /nfs/dbraw/zinc/98/81/80/631988180.db2.gz XNKSOVOOBMGIOT-UHFFFAOYSA-N 0 0 298.342 3.484 20 10 CGCDRN OC[C@H]1CN(Cc2cc(Cl)ccc2O)c2ccccc21 ZINC000816637247 632027858 /nfs/dbraw/zinc/02/78/58/632027858.db2.gz XVGWNHWDMNCRNY-GFCCVEGCSA-N 0 0 289.762 3.142 20 10 CGCDRN O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc(O)c1O ZINC000816789454 632051603 /nfs/dbraw/zinc/05/16/03/632051603.db2.gz OXNZYXYQASUICQ-JTQLQIEISA-N 0 0 299.317 3.043 20 10 CGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1ncccn1 ZINC000817295514 632117658 /nfs/dbraw/zinc/11/76/58/632117658.db2.gz JQAPUPBGYIZADB-HNNXBMFYSA-N 0 0 297.402 3.320 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000817586008 632191318 /nfs/dbraw/zinc/19/13/18/632191318.db2.gz KVJJWQIRWZEOOZ-CYZMBNFOSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3=COCCC3)cc12 ZINC000817762854 632223438 /nfs/dbraw/zinc/22/34/38/632223438.db2.gz YPUFNABJRBADMQ-UHFFFAOYSA-N 0 0 285.343 3.395 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCCOC3)cc12 ZINC000817762610 632223616 /nfs/dbraw/zinc/22/36/16/632223616.db2.gz WSPBXMZRKKDUMV-CYBMUJFWSA-N 0 0 287.359 3.127 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C(F)=C3CCC3)ccc21 ZINC000819198296 632400450 /nfs/dbraw/zinc/40/04/50/632400450.db2.gz QUMOOQGXAHMWHZ-UHFFFAOYSA-N 0 0 288.366 3.093 20 10 CGCDRN CCOC[C@H](O)CNc1ccc(Nc2ccccc2)cc1 ZINC000819395485 632449477 /nfs/dbraw/zinc/44/94/77/632449477.db2.gz MSVHYKUJYOBZTL-QGZVFWFLSA-N 0 0 286.375 3.240 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C)c1 ZINC000819398580 632450494 /nfs/dbraw/zinc/45/04/94/632450494.db2.gz NKSZQCNTAYYALF-DYEKYZERSA-N 0 0 291.391 3.404 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCF ZINC000819978968 632554584 /nfs/dbraw/zinc/55/45/84/632554584.db2.gz LKCWXVDRMINLIB-UHFFFAOYSA-N 0 0 292.398 3.385 20 10 CGCDRN C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000820241748 632594935 /nfs/dbraw/zinc/59/49/35/632594935.db2.gz NGOSWTRBHKZIAF-GHMZBOCLSA-N 0 0 288.351 3.110 20 10 CGCDRN O=C(N[C@@H](c1cccs1)C1CC1)C1=CC(=O)CS1 ZINC000820496459 632638371 /nfs/dbraw/zinc/63/83/71/632638371.db2.gz XAOYGXYUTDTPDU-GFCCVEGCSA-N 0 0 279.386 3.396 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C=CCC1 ZINC000821091385 632724833 /nfs/dbraw/zinc/72/48/33/632724833.db2.gz BDUQPUGOCOPAQE-HNNXBMFYSA-N 0 0 287.407 3.003 20 10 CGCDRN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821540794 632793092 /nfs/dbraw/zinc/79/30/92/632793092.db2.gz OZUFRBGISPDKGU-MFKMUULPSA-N 0 0 288.351 3.252 20 10 CGCDRN Cc1nnsc1CN(C)c1ccc(OC(C)C)cc1 ZINC000844321918 635870057 /nfs/dbraw/zinc/87/00/57/635870057.db2.gz WLFXVQCVZIZQOA-UHFFFAOYSA-N 0 0 277.393 3.270 20 10 CGCDRN CCCC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823047069 633053316 /nfs/dbraw/zinc/05/33/16/633053316.db2.gz RQPHNVXDIMLGAO-NSHDSACASA-N 0 0 290.367 3.500 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866411394 633126989 /nfs/dbraw/zinc/12/69/89/633126989.db2.gz KVVPQPGOEPKKNR-HZMBPMFUSA-N 0 0 276.336 3.284 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(F)cc1[O-] ZINC000866446536 633136236 /nfs/dbraw/zinc/13/62/36/633136236.db2.gz FOJHCVDJZPVQKT-XXSPCDMZSA-N 0 0 267.344 3.138 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(F)cc1[O-] ZINC000866449530 633139472 /nfs/dbraw/zinc/13/94/72/633139472.db2.gz CTKXBJNGVBEBIH-JIMOISOXSA-N 0 0 255.308 3.463 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(F)cc1[O-] ZINC000866538534 633181409 /nfs/dbraw/zinc/18/14/09/633181409.db2.gz SPMUDIKJKAQEGP-FFSVYQOJSA-N 0 0 293.382 3.245 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1 ZINC000866764503 633239816 /nfs/dbraw/zinc/23/98/16/633239816.db2.gz NMKLNLPKFGYNIZ-LERXQTSPSA-N 0 0 291.391 3.260 20 10 CGCDRN COc1cccc(CNC(=O)c2sc(C)cc2C)c1O ZINC000866763753 633240327 /nfs/dbraw/zinc/24/03/27/633240327.db2.gz NREHDHFPCYDVFD-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN CC[C@@H](C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000824596763 633263545 /nfs/dbraw/zinc/26/35/45/633263545.db2.gz LEIMVSPGXUEHJB-RNCFNFMXSA-N 0 0 289.778 3.335 20 10 CGCDRN CCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000824649313 633267957 /nfs/dbraw/zinc/26/79/57/633267957.db2.gz CLFFGICWXDHNFQ-UHFFFAOYSA-N 0 0 264.325 3.113 20 10 CGCDRN COc1ccc(N(C)CCCCCCO)cc1Cl 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FXOXACRWEAGBHD-SNVBAGLBSA-N 0 0 276.311 3.246 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(F)cc1[O-] ZINC000872133071 634054921 /nfs/dbraw/zinc/05/49/21/634054921.db2.gz JXXHJFKACLDNFF-BXUZGUMPSA-N 0 0 289.354 3.432 20 10 CGCDRN CSC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000832435858 634058646 /nfs/dbraw/zinc/05/86/46/634058646.db2.gz DZNZSIQJPZBPIS-NSHDSACASA-N 0 0 280.437 3.071 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCC1(C)C)c1ccc(N(C)C)cc1 ZINC000832435924 634058931 /nfs/dbraw/zinc/05/89/31/634058931.db2.gz GXFKUNVZLPENEI-DOMZBBRYSA-N 0 0 274.408 3.366 20 10 CGCDRN CCn1ncc(NCc2c(O)ccc(Cl)c2F)c1C ZINC000873195854 634281020 /nfs/dbraw/zinc/28/10/20/634281020.db2.gz DULUSSQMBFLPQK-UHFFFAOYSA-N 0 0 283.734 3.322 20 10 CGCDRN CCn1ncc(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC000873196504 634281056 /nfs/dbraw/zinc/28/10/56/634281056.db2.gz NVUOBVXFPFWAEM-UHFFFAOYSA-N 0 0 294.349 3.168 20 10 CGCDRN CCN(C/C=C\c1ccc(N(C)C)cc1)CC(F)F ZINC000835048262 634334515 /nfs/dbraw/zinc/33/45/15/634334515.db2.gz OYHLWLPZFWXUBL-WAYWQWQTSA-N 0 0 268.351 3.353 20 10 CGCDRN CCc1nocc1CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835055744 634339691 /nfs/dbraw/zinc/33/96/91/634339691.db2.gz OGLBYTVKDPIEPP-VOTSOKGWSA-N 0 0 299.418 3.448 20 10 CGCDRN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC000837039245 634846271 /nfs/dbraw/zinc/84/62/71/634846271.db2.gz PBSIZIDJDWCVAG-GDAGCXPBSA-N 0 0 289.375 3.196 20 10 CGCDRN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000837039246 634846380 /nfs/dbraw/zinc/84/63/80/634846380.db2.gz PBSIZIDJDWCVAG-PLWJUESGSA-N 0 0 289.375 3.196 20 10 CGCDRN Cc1cccc(O)c1CN(C)Cc1nc2ccccc2n1C ZINC000876732204 634887765 /nfs/dbraw/zinc/88/77/65/634887765.db2.gz ZFNXGELIFJJQNS-UHFFFAOYSA-N 0 0 295.386 3.219 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCS1 ZINC000876747716 634892095 /nfs/dbraw/zinc/89/20/95/634892095.db2.gz KUZMVNBNVBGNPT-GFCCVEGCSA-N 0 0 251.395 3.028 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N[C@@]2(C)CC=CCC2)cc1 ZINC000837380040 634899177 /nfs/dbraw/zinc/89/91/77/634899177.db2.gz MNMITYSXUUBZJH-KRWDZBQOSA-N 0 0 287.407 3.051 20 10 CGCDRN COCc1ccccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876910266 634927099 /nfs/dbraw/zinc/92/70/99/634927099.db2.gz BFBMMFQKHWAVMV-UHFFFAOYSA-N 0 0 293.313 3.107 20 10 CGCDRN CC[C@H](Oc1cccc(C)c1)C(=O)N(C)c1ccc(N)cc1 ZINC000877077305 634974561 /nfs/dbraw/zinc/97/45/61/634974561.db2.gz CBYFUAIFBPVWRA-KRWDZBQOSA-N 0 0 298.386 3.398 20 10 CGCDRN Cc1ccc(CNc2ccc3c(c2)N(C)CCO3)c(O)c1 ZINC000877159710 635002748 /nfs/dbraw/zinc/00/27/48/635002748.db2.gz JLPQCVPXOLBLGU-UHFFFAOYSA-N 0 0 284.359 3.141 20 10 CGCDRN CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126435992 635017217 /nfs/dbraw/zinc/01/72/17/635017217.db2.gz AGACCRUNTJUQQI-LBPRGKRZSA-N 0 0 291.391 3.386 20 10 CGCDRN Cc1ccncc1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877490898 635058464 /nfs/dbraw/zinc/05/84/64/635058464.db2.gz AHHSDEPKUKEBOH-UHFFFAOYSA-N 0 0 278.302 3.006 20 10 CGCDRN CCc1cc(CNCc2c(O)cc(C)cc2Cl)on1 ZINC000840899209 635078286 /nfs/dbraw/zinc/07/82/86/635078286.db2.gz HWCSKHFDDFTKOA-UHFFFAOYSA-N 0 0 280.755 3.194 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)C(C)C ZINC000840968935 635096449 /nfs/dbraw/zinc/09/64/49/635096449.db2.gz WNWQQBXQFUGQGO-STQMWFEESA-N 0 0 289.778 3.070 20 10 CGCDRN Cc1cccc(CNc2cccc([C@@H]3CCC(=O)N3)c2)c1O ZINC000840972322 635098095 /nfs/dbraw/zinc/09/80/95/635098095.db2.gz KUYAXWRTFHQNRM-INIZCTEOSA-N 0 0 296.370 3.264 20 10 CGCDRN COc1cc2c(c(CNc3ccc(N)cc3)c1)O[C@H](C)C2 ZINC000841039900 635112243 /nfs/dbraw/zinc/11/22/43/635112243.db2.gz DKSWSNRORKIMBP-LLVKDONJSA-N 0 0 284.359 3.213 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(N)cc1 ZINC000841040299 635112309 /nfs/dbraw/zinc/11/23/09/635112309.db2.gz KOOYDUVAZGIIBA-UHFFFAOYSA-N 0 0 255.365 3.255 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(N)cc2)[C@@H]1C ZINC000841297210 635148424 /nfs/dbraw/zinc/14/84/24/635148424.db2.gz NIWSAVATXSGJBN-UPJWGTAASA-N 0 0 275.396 3.463 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)OCCCF ZINC000841475540 635182613 /nfs/dbraw/zinc/18/26/13/635182613.db2.gz JHTUCQOHQCUTGQ-UHFFFAOYSA-N 0 0 282.359 3.071 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000877778550 635200181 /nfs/dbraw/zinc/20/01/81/635200181.db2.gz PSJUPBXFVVMXOA-LBPRGKRZSA-N 0 0 295.745 3.006 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841745585 635221833 /nfs/dbraw/zinc/22/18/33/635221833.db2.gz QIYVNXJWHTWCMA-ZYHUDNBSSA-N 0 0 269.772 3.265 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(Cl)cc1[O-] ZINC000841748906 635225569 /nfs/dbraw/zinc/22/55/69/635225569.db2.gz AGGRFBVGGAVOIT-NSHDSACASA-N 0 0 285.815 3.495 20 10 CGCDRN CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751148 635225744 /nfs/dbraw/zinc/22/57/44/635225744.db2.gz LNVLEGMTOYEBMS-IUCAKERBSA-N 0 0 259.802 3.448 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841751209 635225858 /nfs/dbraw/zinc/22/58/58/635225858.db2.gz FXPNHQJVHSGTEY-GBIKHYSHSA-N 0 0 269.772 3.121 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(Cl)cc1[O-] ZINC000841755567 635230093 /nfs/dbraw/zinc/23/00/93/635230093.db2.gz JHRAPQRTCKCWRW-WDEREUQCSA-N 0 0 271.788 3.105 20 10 CGCDRN COc1ccc(C[NH2+][C@H](C)CCCCC(=O)[O-])cc1C ZINC000841795754 635236723 /nfs/dbraw/zinc/23/67/23/635236723.db2.gz WZJRVIYLFNEVMD-CYBMUJFWSA-N 0 0 279.380 3.127 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](C)CCC[C@H](C)C(=O)[O-])cc1C ZINC000841794823 635237181 /nfs/dbraw/zinc/23/71/81/635237181.db2.gz JVDXHNSRUVJJEY-JSGCOSHPSA-N 0 0 293.407 3.373 20 10 CGCDRN CCCC[C@@H](CCC)NC(=O)NCCc1ccc(N)cc1 ZINC000841850860 635242893 /nfs/dbraw/zinc/24/28/93/635242893.db2.gz HHNPVSKSGYNCKA-MRXNPFEDSA-N 0 0 291.439 3.469 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(C)c(C)cc1O)N2 ZINC000877862355 635244040 /nfs/dbraw/zinc/24/40/40/635244040.db2.gz WHBXRWJLPFOFQB-INIZCTEOSA-N 0 0 282.343 3.172 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1ccc(N(C)C)c(F)c1)N2 ZINC000877861229 635244285 /nfs/dbraw/zinc/24/42/85/635244285.db2.gz HPZHEKQWPJTASO-MRXNPFEDSA-N 0 0 299.349 3.054 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)CC1CCCCC1 ZINC000841893900 635249153 /nfs/dbraw/zinc/24/91/53/635249153.db2.gz QHKZRIRZMWLQDO-AWEZNQCLSA-N 0 0 297.826 3.467 20 10 CGCDRN CC(C)(C)CC(C)(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841959195 635252982 /nfs/dbraw/zinc/25/29/82/635252982.db2.gz WGOJCZLTFRLKQJ-UHFFFAOYSA-N 0 0 291.439 3.325 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000104616828 635272425 /nfs/dbraw/zinc/27/24/25/635272425.db2.gz BOKQRNMOFSCLDO-WBMJQRKESA-N 0 0 297.402 3.408 20 10 CGCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000842913583 635510618 /nfs/dbraw/zinc/51/06/18/635510618.db2.gz CHEYGFJCRQWUAB-HOSYDEDBSA-N 0 0 287.350 3.118 20 10 CGCDRN CC(C)c1cc(NC(=O)N[C@H](C)c2ccccc2O)no1 ZINC000878824926 635636971 /nfs/dbraw/zinc/63/69/71/635636971.db2.gz SFXIEIZJBLNSHM-SNVBAGLBSA-N 0 0 289.335 3.386 20 10 CGCDRN Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000843293265 635639851 /nfs/dbraw/zinc/63/98/51/635639851.db2.gz QOGPQBJGICYVPO-GJZGRUSLSA-N 0 0 258.365 3.424 20 10 CGCDRN CCN(C)c1ccc(CN2CCC[C@H]2c2ncccn2)cc1 ZINC000878975331 635668862 /nfs/dbraw/zinc/66/88/62/635668862.db2.gz BFBYTGZBHQVSOC-KRWDZBQOSA-N 0 0 296.418 3.270 20 10 CGCDRN CC1=C(C)C[C@@H](C(=O)N(C)Cc2ccccc2O)CC1 ZINC000843820346 635784144 /nfs/dbraw/zinc/78/41/44/635784144.db2.gz SEANFMFLZMMPAD-AWEZNQCLSA-N 0 0 273.376 3.487 20 10 CGCDRN O=C(NCc1ccccc1O)c1cccc(Cl)c1F ZINC000127830230 635806965 /nfs/dbraw/zinc/80/69/65/635806965.db2.gz JFIYQYJCCXDJOZ-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN COc1ccc(N(C)Cc2ccn(C(C)C)n2)cc1 ZINC000844353309 635877509 /nfs/dbraw/zinc/87/75/09/635877509.db2.gz MDYFORYUGGWTFH-UHFFFAOYSA-N 0 0 259.353 3.109 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC2(Cl)Cl)cc1 ZINC000844353292 635877670 /nfs/dbraw/zinc/87/76/70/635877670.db2.gz LKRYHBFOJVNKGF-SECBINFHSA-N 0 0 260.164 3.325 20 10 CGCDRN CCC(C)(C)NC(=S)NCc1cc(Cl)ccc1O ZINC000844584168 635936671 /nfs/dbraw/zinc/93/66/71/635936671.db2.gz PHNROSMWRXYTAQ-UHFFFAOYSA-N 0 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ONTIXPILEQVDPF-UHFFFAOYSA-N 0 0 287.812 3.195 20 10 CGCDRN O=C(COC1CCCCC1)NCc1cc(Cl)ccc1O ZINC000846473188 636187164 /nfs/dbraw/zinc/18/71/64/636187164.db2.gz QOZSNXQSRVIUHF-UHFFFAOYSA-N 0 0 297.782 3.011 20 10 CGCDRN C[C@@H]1CC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474746 636187851 /nfs/dbraw/zinc/18/78/51/636187851.db2.gz BDHIMYPVVGYJAL-GHMZBOCLSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(C=C1CCSCC1)NCc1cc(Cl)ccc1O ZINC000846474043 636187918 /nfs/dbraw/zinc/18/79/18/636187918.db2.gz RJHXSJARRNBCIK-UHFFFAOYSA-N 0 0 297.807 3.115 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC12CCCC2 ZINC000846475360 636188249 /nfs/dbraw/zinc/18/82/49/636188249.db2.gz GQRJGPOWWUGYQT-GFCCVEGCSA-N 0 0 279.767 3.242 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846476264 636188902 /nfs/dbraw/zinc/18/89/02/636188902.db2.gz KRIVWRUQBBFHEG-GXFFZTMASA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(CC1CC(F)(F)C1)NCc1cc(Cl)ccc1O ZINC000846475738 636188956 /nfs/dbraw/zinc/18/89/56/636188956.db2.gz HDAPNTOPQMPZIP-UHFFFAOYSA-N 0 0 289.709 3.097 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC12CCCC2 ZINC000846714010 636220116 /nfs/dbraw/zinc/22/01/16/636220116.db2.gz BULOEGBNFTULSR-CYBMUJFWSA-N 0 0 294.782 3.178 20 10 CGCDRN Cc1ncnc(NCCCSc2nccs2)c1C ZINC000881981773 636225652 /nfs/dbraw/zinc/22/56/52/636225652.db2.gz LWTSHMGDYPHJKL-UHFFFAOYSA-N 0 0 280.422 3.144 20 10 CGCDRN C/C(=C/c1ccco1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847304572 636377889 /nfs/dbraw/zinc/37/78/89/636377889.db2.gz VTUKNWYWOYCNNR-OWBHPGMISA-N 0 0 298.386 3.408 20 10 CGCDRN CCO[C@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC000883026943 636510624 /nfs/dbraw/zinc/51/06/24/636510624.db2.gz KJTOLTZCTWHJMZ-CQSZACIVSA-N 0 0 287.350 3.211 20 10 CGCDRN CCc1noc(CC)c1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883036066 636515553 /nfs/dbraw/zinc/51/55/53/636515553.db2.gz YUHDJSLDFKGVDG-UHFFFAOYSA-N 0 0 296.317 3.073 20 10 CGCDRN CC(C)Cn1cc(NCc2cc(F)cc(F)c2O)cn1 ZINC000883078004 636530799 /nfs/dbraw/zinc/53/07/99/636530799.db2.gz 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/nfs/dbraw/zinc/84/53/95/636845395.db2.gz GPHVBMPREHQGDH-UHFFFAOYSA-N 0 0 288.391 3.080 20 10 CGCDRN Cc1ccc(N(C)Cc2cc3c(cc2O)OCO3)c(C)c1 ZINC000133158509 636877911 /nfs/dbraw/zinc/87/79/11/636877911.db2.gz NBVATGHHFGEWEJ-UHFFFAOYSA-N 0 0 285.343 3.374 20 10 CGCDRN O=C(NCCSc1ncc(Cl)s1)C1CCCC1 ZINC000849999875 636924339 /nfs/dbraw/zinc/92/43/39/636924339.db2.gz BFDGNKIWIJAYQU-UHFFFAOYSA-N 0 0 290.841 3.195 20 10 CGCDRN FC(F)c1noc(CSc2ncc(Cl)s2)n1 ZINC000850001323 636924999 /nfs/dbraw/zinc/92/49/99/636924999.db2.gz GBWRATAZMDNZRO-UHFFFAOYSA-N 0 0 283.712 3.409 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC000133721937 636971992 /nfs/dbraw/zinc/97/19/92/636971992.db2.gz SFMRASGONVPLPZ-OLZOCXBDSA-N 0 0 263.381 3.411 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850541285 637114726 /nfs/dbraw/zinc/11/47/26/637114726.db2.gz YFNYGTJLKUBITB-NOZJJQNGSA-N 0 0 264.325 3.140 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(Cl)c1[O-] ZINC000850545165 637115545 /nfs/dbraw/zinc/11/55/45/637115545.db2.gz MLGBXHHHZXMMBD-SWLSCSKDSA-N 0 0 297.826 3.495 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H]2C[C@]23CCOC3)cc1 ZINC000886172207 637447620 /nfs/dbraw/zinc/44/76/20/637447620.db2.gz YIIWKZOBDCMARZ-PBHICJAKSA-N 0 0 275.392 3.337 20 10 CGCDRN Nc1ccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1 ZINC000851633656 637462605 /nfs/dbraw/zinc/46/26/05/637462605.db2.gz PSVYIXGGQGUMJB-JSGCOSHPSA-N 0 0 280.318 3.423 20 10 CGCDRN COc1cccc(NCc2ccc(N(C)C)cc2)c1OC ZINC000886277272 637480150 /nfs/dbraw/zinc/48/01/50/637480150.db2.gz LUMGLWPSIQBBRC-UHFFFAOYSA-N 0 0 286.375 3.382 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886536411 637561221 /nfs/dbraw/zinc/56/12/21/637561221.db2.gz HBJWSDVPLVJELG-NEPJUHHUSA-N 0 0 274.339 3.208 20 10 CGCDRN COCCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886540419 637565358 /nfs/dbraw/zinc/56/53/58/637565358.db2.gz DVELNUNLKITZTJ-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1c([O-])cccc1F ZINC000886553900 637578045 /nfs/dbraw/zinc/57/80/45/637578045.db2.gz XTGINKYNGUGZGK-LLVKDONJSA-N 0 0 287.334 3.412 20 10 CGCDRN C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000886559752 637581820 /nfs/dbraw/zinc/58/18/20/637581820.db2.gz CTIVFFWIBBTTCZ-MXWKQRLJSA-N 0 0 267.344 3.138 20 10 CGCDRN C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886562087 637583082 /nfs/dbraw/zinc/58/30/82/637583082.db2.gz QHHJCERBSMTTNI-STQMWFEESA-N 0 0 295.398 3.371 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000886577000 637588234 /nfs/dbraw/zinc/58/82/34/637588234.db2.gz UZYVHVVAJIIXEM-RKDXNWHRSA-N 0 0 259.271 3.370 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000886587583 637593366 /nfs/dbraw/zinc/59/33/66/637593366.db2.gz BGILCXFVTHGFEY-RYUDHWBXSA-N 0 0 267.344 3.141 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886602941 637600242 /nfs/dbraw/zinc/60/02/42/637600242.db2.gz 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ZINC000114993473 641011132 /nfs/dbraw/zinc/01/11/32/641011132.db2.gz SRZMKNDFIOBVOT-LBPRGKRZSA-N 0 0 290.413 3.431 20 10 CGCDRN O=C(/C=C\C=C(Cl)Cl)NCc1c(O)cccc1F ZINC001156170139 805661768 /nfs/dbraw/zinc/66/17/68/805661768.db2.gz HRWLYJGYJCGCAP-KXFIGUGUSA-N 0 0 290.121 3.023 20 10 CGCDRN Cc1cnc(N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC001156924090 805753464 /nfs/dbraw/zinc/75/34/64/805753464.db2.gz PMHUEEAIMYPKPH-UHFFFAOYSA-N 0 0 269.392 3.401 20 10 CGCDRN F[C@@H](NCc1ccc2c(c1)CCO2)c1ccnc(Cl)c1 ZINC001156973153 805761367 /nfs/dbraw/zinc/76/13/67/805761367.db2.gz IJYPXVDVNHBOKI-HNNXBMFYSA-N 0 0 292.741 3.428 20 10 CGCDRN CC(C)n1c2ccccc2nc1-c1cc(O)c(O)cc1O ZINC001251355303 805886292 /nfs/dbraw/zinc/88/62/92/805886292.db2.gz DDKPAKXZRWTUSQ-UHFFFAOYSA-N 0 0 284.315 3.401 20 10 CGCDRN Oc1ccc(/C=C/c2nnc(-c3ccc(F)cc3)o2)cc1O ZINC001252193424 806029213 /nfs/dbraw/zinc/02/92/13/806029213.db2.gz FMKICDCJTFDZSJ-KRXBUXKQSA-N 0 0 298.273 3.457 20 10 CGCDRN Oc1ccc(CNc2cc3ccsc3cn2)cc1O ZINC001158996173 806029518 /nfs/dbraw/zinc/02/95/18/806029518.db2.gz YPKRHNDDTWBPJF-UHFFFAOYSA-N 0 0 272.329 3.320 20 10 CGCDRN COC(=O)c1csc(C)c1Nc1ccc(N)cc1 ZINC001159254713 806066684 /nfs/dbraw/zinc/06/66/84/806066684.db2.gz KSWVHUPLEYCNAL-UHFFFAOYSA-N 0 0 262.334 3.169 20 10 CGCDRN COc1cc(Nc2ccc3c(c2)CCCN3)c(F)cn1 ZINC001159281217 806074130 /nfs/dbraw/zinc/07/41/30/806074130.db2.gz SVBHFRZOINVXIS-UHFFFAOYSA-N 0 0 273.311 3.331 20 10 CGCDRN COC(=O)c1cc(O)ccc1Nc1ccc2c(c1)CCCN2 ZINC001159615142 806132119 /nfs/dbraw/zinc/13/21/19/806132119.db2.gz CSDALJXEDBZTCI-UHFFFAOYSA-N 0 0 298.342 3.281 20 10 CGCDRN Cc1cc(C)c(CNc2nc(C)nc3[nH]ccc32)c(O)c1 ZINC001160807779 806303804 /nfs/dbraw/zinc/30/38/04/806303804.db2.gz DCWQEYWGZHTNGH-UHFFFAOYSA-N 0 0 282.347 3.201 20 10 CGCDRN CC(C)[C@H](O)CNc1ccccc1C(=O)c1ccccc1 ZINC001253769842 806304610 /nfs/dbraw/zinc/30/46/10/806304610.db2.gz SRTLUGFKADGMKF-QGZVFWFLSA-N 0 0 283.371 3.346 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(C(F)F)cn2)c(O)c1 ZINC001160811747 806308044 /nfs/dbraw/zinc/30/80/44/806308044.db2.gz VOCNEMOKXBEDSF-UHFFFAOYSA-N 0 0 279.290 3.349 20 10 CGCDRN CCCN(CCC)c1cncc(NCc2ccc(N)cc2)n1 ZINC001162786450 806666000 /nfs/dbraw/zinc/66/60/00/806666000.db2.gz WDRIFDBWCMGMIL-UHFFFAOYSA-N 0 0 299.422 3.297 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000037004232 798855734 /nfs/dbraw/zinc/85/57/34/798855734.db2.gz VQZJOSPOQARMPN-HNNXBMFYSA-N 0 0 298.411 3.165 20 10 CGCDRN COC(=O)Nc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071408106 798916984 /nfs/dbraw/zinc/91/69/84/798916984.db2.gz RPGGBINDTGFZMK-UHFFFAOYSA-N 0 0 286.331 3.491 20 10 CGCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128824055 799021118 /nfs/dbraw/zinc/02/11/18/799021118.db2.gz OIPCELKUGWXIKV-HNNXBMFYSA-N 0 0 297.782 3.122 20 10 CGCDRN FC(F)(F)COCCCSc1nccs1 ZINC000133259439 799034450 /nfs/dbraw/zinc/03/44/50/799034450.db2.gz LYLOUJYHUYSUKI-UHFFFAOYSA-N 0 0 257.302 3.204 20 10 CGCDRN O=C(NCCCSc1nccs1)N[C@H]1C=CCCC1 ZINC000154522154 799061199 /nfs/dbraw/zinc/06/11/99/799061199.db2.gz YYPBIYPSFUYLFE-NSHDSACASA-N 0 0 297.449 3.033 20 10 CGCDRN Nc1ccc(Cc2nc([C@H]3CCCCS3)no2)cc1 ZINC000160650856 799076698 /nfs/dbraw/zinc/07/66/98/799076698.db2.gz VAHMFVTYCZCAGS-GFCCVEGCSA-N 0 0 275.377 3.201 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000168235805 799085705 /nfs/dbraw/zinc/08/57/05/799085705.db2.gz DWCMNUXHYMSKOD-AWEZNQCLSA-N 0 0 286.400 3.067 20 10 CGCDRN Cc1cc(CNCc2nccn2C)c(C)n1-c1ccccc1 ZINC000388281879 799451497 /nfs/dbraw/zinc/45/14/97/799451497.db2.gz ZUESUQPAJYWLSK-UHFFFAOYSA-N 0 0 294.402 3.117 20 10 CGCDRN COc1cc(C)ccc1-c1noc(-c2cccc(O)c2O)n1 ZINC000389819476 799466190 /nfs/dbraw/zinc/46/61/90/799466190.db2.gz SSNWEKZNTGOIAC-UHFFFAOYSA-N 0 0 298.298 3.132 20 10 CGCDRN CC[C@H](CC(F)(F)F)C(=O)N(C)Cc1ccccc1O ZINC000402630904 799563385 /nfs/dbraw/zinc/56/33/85/799563385.db2.gz MONPVOFARMJJKL-SNVBAGLBSA-N 0 0 289.297 3.329 20 10 CGCDRN CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000403891381 799572625 /nfs/dbraw/zinc/57/26/25/799572625.db2.gz WZFOLKDVBCXFAO-OLZOCXBDSA-N 0 0 283.799 3.435 20 10 CGCDRN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CS1 ZINC000689643343 799766980 /nfs/dbraw/zinc/76/69/80/799766980.db2.gz SKCWRXXIGFODGQ-GXSJLCMTSA-N 0 0 271.813 3.419 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000694009346 799819075 /nfs/dbraw/zinc/81/90/75/799819075.db2.gz ZHUHAIGKOSOHEY-NEPJUHHUSA-N 0 0 274.339 3.208 20 10 CGCDRN CCC(F)(F)CN[C@@H](C)c1cc(OC)ccc1O ZINC000700170393 799869064 /nfs/dbraw/zinc/86/90/64/799869064.db2.gz YJRGVPAGSIXHMS-VIFPVBQESA-N 0 0 259.296 3.097 20 10 CGCDRN CS[C@H]1CCCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000707266510 799976099 /nfs/dbraw/zinc/97/60/99/799976099.db2.gz UURGNEXKMBXOMM-ZDUSSCGKSA-N 0 0 279.409 3.018 20 10 CGCDRN CC[N@H+](CCC(F)(F)F)Cc1cc(F)cc(F)c1[O-] ZINC000708382829 799987449 /nfs/dbraw/zinc/98/74/49/799987449.db2.gz IKLHOSSUVOCANM-UHFFFAOYSA-N 0 0 283.240 3.445 20 10 CGCDRN CC(C)OC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708443603 799988575 /nfs/dbraw/zinc/98/85/75/799988575.db2.gz PSRNZYPCRASUFH-UHFFFAOYSA-N 0 0 285.334 3.060 20 10 CGCDRN C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708455192 799989199 /nfs/dbraw/zinc/98/91/99/799989199.db2.gz UWKCBYSVOGZYQD-LURJTMIESA-N 0 0 269.213 3.101 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000708517819 799990632 /nfs/dbraw/zinc/99/06/32/799990632.db2.gz UQIAAXTUJLLYJQ-VIFPVBQESA-N 0 0 277.261 3.195 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711759462 800072867 /nfs/dbraw/zinc/07/28/67/800072867.db2.gz KMCRVJUZWKBCNA-SNVBAGLBSA-N 0 0 282.181 3.211 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000715721417 800144589 /nfs/dbraw/zinc/14/45/89/800144589.db2.gz VNPHQCBCIGQNMO-CMPLNLGQSA-N 0 0 269.385 3.468 20 10 CGCDRN Cc1cn[nH]c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716468075 800172213 /nfs/dbraw/zinc/17/22/13/800172213.db2.gz DIVOONITUXLABT-UHFFFAOYSA-N 0 0 286.162 3.020 20 10 CGCDRN C[N@H+](CCCF)Cc1cc(Br)cc(F)c1[O-] ZINC000716640796 800176979 /nfs/dbraw/zinc/17/69/79/800176979.db2.gz ZZSXNUVMXSEKDO-UHFFFAOYSA-N 0 0 294.139 3.085 20 10 CGCDRN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716942556 800186918 /nfs/dbraw/zinc/18/69/18/800186918.db2.gz JOKREWMCRKNXCI-KCJUWKMLSA-N 0 0 292.206 3.338 20 10 CGCDRN COc1ccc(O)c([C@H](C)NCc2ncc(Cl)s2)c1 ZINC000719430848 800239164 /nfs/dbraw/zinc/23/91/64/800239164.db2.gz OZPFBLAHMCQWCC-QMMMGPOBSA-N 0 0 298.795 3.362 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CSCC(C)(C)C)cc1 ZINC000799306265 800394567 /nfs/dbraw/zinc/39/45/67/800394567.db2.gz KHRWRPWYGASKLO-UHFFFAOYSA-N 0 0 294.464 3.148 20 10 CGCDRN COc1cc(C)cc(CN2Cc3cccc(F)c3C2)c1O ZINC000840161138 800496385 /nfs/dbraw/zinc/49/63/85/800496385.db2.gz GSMLJANDNIVZIX-UHFFFAOYSA-N 0 0 287.334 3.364 20 10 CGCDRN C[C@H]1CC=C(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761812 800560054 /nfs/dbraw/zinc/56/00/54/800560054.db2.gz YVCKZHYNNYHYID-JTQLQIEISA-N 0 0 279.767 3.408 20 10 CGCDRN C[C@@H]1C[C@@H]1c1nnc(/C=C/c2ccc(N(C)C)cc2)o1 ZINC001256669132 806945270 /nfs/dbraw/zinc/94/52/70/806945270.db2.gz UPBNUTBHALFPJY-LAYPKJJOSA-N 0 0 269.348 3.429 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nccnc1C(F)F ZINC001117483808 802467052 /nfs/dbraw/zinc/46/70/52/802467052.db2.gz QDUVSVBBORADMR-UHFFFAOYSA-N 0 0 292.333 3.401 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C/C=C\C1CC1 ZINC001117722254 802481258 /nfs/dbraw/zinc/48/12/58/802481258.db2.gz PGQNCAPRECWIAE-UPHRSURJSA-N 0 0 255.720 3.241 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCCC34CC4)ccc21 ZINC001118869780 802612648 /nfs/dbraw/zinc/61/26/48/802612648.db2.gz VFPXTWVQAZLYMD-MRXNPFEDSA-N 0 0 298.430 3.266 20 10 CGCDRN C[C@@H](Nc1nc(C(F)(F)F)ns1)c1ccccc1O ZINC001118930598 802618882 /nfs/dbraw/zinc/61/88/82/802618882.db2.gz NBTZEJAMFIYFGH-ZCFIWIBFSA-N 0 0 289.282 3.436 20 10 CGCDRN Nc1ccc(CN2CCSC[C@H]2c2nccs2)cc1 ZINC001120371356 802742616 /nfs/dbraw/zinc/74/26/16/802742616.db2.gz WTACMQAHMHDDHS-ZDUSSCGKSA-N 0 0 291.445 3.015 20 10 CGCDRN CC(C)C[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001120676761 802760585 /nfs/dbraw/zinc/76/05/85/802760585.db2.gz BTBYINQXXUUDJC-MRXNPFEDSA-N 0 0 289.423 3.379 20 10 CGCDRN Nc1ccc(CNC(=O)/C(F)=C\C2CCCCC2)cc1 ZINC001122445442 802870445 /nfs/dbraw/zinc/87/04/45/802870445.db2.gz SBHFDCPSYWZFNJ-XNTDXEJSSA-N 0 0 276.355 3.319 20 10 CGCDRN CCOc1ncc(-c2nccc3c2ccn3C)cc1F ZINC001243770241 802990588 /nfs/dbraw/zinc/99/05/88/802990588.db2.gz SMYQCLYTIVEXAF-UHFFFAOYSA-N 0 0 271.295 3.173 20 10 CGCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1cccc(C)c1F ZINC001132802690 803436823 /nfs/dbraw/zinc/43/68/23/803436823.db2.gz REANWTPTCXRQHB-JLHYYAGUSA-N 0 0 299.349 3.381 20 10 CGCDRN CC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC001136811062 803653707 /nfs/dbraw/zinc/65/37/07/803653707.db2.gz WAXGBGAEXNMAPU-SFHVURJKSA-N 0 0 299.370 3.461 20 10 CGCDRN CCOC(=O)[C@H](C)n1cc(-c2cccc3c2ccn3C)cn1 ZINC001245327013 803701462 /nfs/dbraw/zinc/70/14/62/803701462.db2.gz CFARQVLLIQDVAE-LBPRGKRZSA-N 0 0 297.358 3.166 20 10 CGCDRN Oc1cccc(F)c1CN1CCO[C@H](c2ccccc2)C1 ZINC001137837844 803779225 /nfs/dbraw/zinc/77/92/25/803779225.db2.gz WYKLQDUXVWLGID-KRWDZBQOSA-N 0 0 287.334 3.105 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001137837859 803780070 /nfs/dbraw/zinc/78/00/70/803780070.db2.gz XJSFQVJRLXHCIE-OAHLLOKOSA-N 0 0 272.323 3.263 20 10 CGCDRN CC(=O)CN(C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137854045 803784174 /nfs/dbraw/zinc/78/41/74/803784174.db2.gz GIJIACLAQUZODV-UHFFFAOYSA-N 0 0 270.376 3.115 20 10 CGCDRN Cc1cc(CN2CCO[C@H]3C[C@H]32)c(C)n1-c1ccccc1 ZINC001137859337 803788057 /nfs/dbraw/zinc/78/80/57/803788057.db2.gz UGLCVSVLMMHLQG-MSOLQXFVSA-N 0 0 282.387 3.067 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001138122666 803863844 /nfs/dbraw/zinc/86/38/44/803863844.db2.gz STSGHWIHXLCZKV-NXEZZACHSA-N 0 0 295.251 3.111 20 10 CGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001139127496 804134257 /nfs/dbraw/zinc/13/42/57/804134257.db2.gz XGENSXHENQCSOW-CHWSQXEVSA-N 0 0 299.370 3.039 20 10 CGCDRN CN(Cc1ccccc1O)Cc1ccnc(Cl)c1F ZINC001139665636 804244981 /nfs/dbraw/zinc/24/49/81/804244981.db2.gz ZLFNMBPWEMPQGV-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001140461177 804441706 /nfs/dbraw/zinc/44/17/06/804441706.db2.gz GFECXEZAIRCMHI-IUODEOHRSA-N 0 0 281.783 3.047 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CC(Oc2ccccc2)C1 ZINC001140466654 804442939 /nfs/dbraw/zinc/44/29/39/804442939.db2.gz JSPHWDDWTXCTGC-UHFFFAOYSA-N 0 0 289.762 3.309 20 10 CGCDRN Cc1nc2c(s1)CN(Cc1ccc(Cl)cc1O)CC2 ZINC001140466430 804444279 /nfs/dbraw/zinc/44/42/79/804444279.db2.gz FMPDGUWVZAZMBI-UHFFFAOYSA-N 0 0 294.807 3.369 20 10 CGCDRN C[N@H+](CCc1cccs1)Cc1c([O-])cc(F)cc1F ZINC001140583481 804466857 /nfs/dbraw/zinc/46/68/57/804466857.db2.gz IQQUXFGSJJEQOH-UHFFFAOYSA-N 0 0 283.343 3.406 20 10 CGCDRN C[N@H+](CCc1ccc(F)cc1)Cc1c([O-])cc(F)cc1F ZINC001140583832 804467942 /nfs/dbraw/zinc/46/79/42/804467942.db2.gz VKJZTHDZCVUGCK-UHFFFAOYSA-N 0 0 295.304 3.484 20 10 CGCDRN CCOCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256930772 807013281 /nfs/dbraw/zinc/01/32/81/807013281.db2.gz LIYFFCHMDDPDBO-UHFFFAOYSA-N 0 0 283.331 3.106 20 10 CGCDRN COc1cc(F)c(CN(C)Cc2ccccc2O)c(F)c1 ZINC001140828853 804530464 /nfs/dbraw/zinc/53/04/64/804530464.db2.gz YUASRDYWYJIKSU-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN CCN(CC)c1ccc(CN2Cc3cccnc3C2)c(O)c1 ZINC001140851878 804533515 /nfs/dbraw/zinc/53/35/15/804533515.db2.gz SJVMKEPMVGSFGW-UHFFFAOYSA-N 0 0 297.402 3.149 20 10 CGCDRN CC(C)O[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924633 804551057 /nfs/dbraw/zinc/55/10/57/804551057.db2.gz JUUIDBVBOHCUII-HNNXBMFYSA-N 0 0 296.842 3.405 20 10 CGCDRN CCN(Cc1cc(F)c(F)cc1O)CC(F)(F)F ZINC001142527021 804733547 /nfs/dbraw/zinc/73/35/47/804733547.db2.gz HHFBBHSMGLSTRH-UHFFFAOYSA-N 0 0 269.213 3.055 20 10 CGCDRN CC[N@H+](Cc1cccn2ccnc12)Cc1ccccc1O ZINC001142961237 804789145 /nfs/dbraw/zinc/78/91/45/804789145.db2.gz HJIQVCSTUGTUEB-UHFFFAOYSA-N 0 0 281.359 3.062 20 10 CGCDRN COc1cccc(-c2noc(Cc3ccc(N)cc3)n2)c1F ZINC001248183065 804892026 /nfs/dbraw/zinc/89/20/26/804892026.db2.gz CHVKVAMAUJCYOU-UHFFFAOYSA-N 0 0 299.305 3.057 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C3COC3)n2)cc1 ZINC001248304251 804912450 /nfs/dbraw/zinc/91/24/50/804912450.db2.gz KVHMHVTZMVNEME-UHFFFAOYSA-N 0 0 295.342 3.258 20 10 CGCDRN Cc1cc(C)c(CNC(=O)[C@@]2(C)C[C@@H]3C=C[C@H]2C3)c(O)c1 ZINC001144286636 804967106 /nfs/dbraw/zinc/96/71/06/804967106.db2.gz WENAAPVWPYTSTO-GLJUWKHASA-N 0 0 285.387 3.228 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C\c2cccc(F)c2)c1 ZINC001147962708 805157216 /nfs/dbraw/zinc/15/72/16/805157216.db2.gz ZSMUVIQKTFSPFD-VURMDHGXSA-N 0 0 285.318 3.169 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccncc1C(F)(F)F ZINC001249594128 805184917 /nfs/dbraw/zinc/18/49/17/805184917.db2.gz NVIKWHJCBXVZDB-UHFFFAOYSA-N 0 0 267.254 3.451 20 10 CGCDRN Cc1cc(F)cc(Nc2ccncc2C(F)(F)F)c1O ZINC001249593596 805185149 /nfs/dbraw/zinc/18/51/49/805185149.db2.gz QQEMASPQHKHUOW-UHFFFAOYSA-N 0 0 286.228 3.419 20 10 CGCDRN CC1(CC(=O)NCc2cc(O)ccc2O)CCCCC1 ZINC001153884740 805419437 /nfs/dbraw/zinc/41/94/37/805419437.db2.gz HBOSTDWHXAOJRL-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN CCN(Cc1ccccc1O)c1nccc2scnc21 ZINC001154888969 805504476 /nfs/dbraw/zinc/50/44/76/805504476.db2.gz MLTSFLRPEACVJU-UHFFFAOYSA-N 0 0 285.372 3.423 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc2c(nn1)CC[C@H](C)C2 ZINC001154890882 805505843 /nfs/dbraw/zinc/50/58/43/805505843.db2.gz UDHCTXBPXVHVDB-ZDUSSCGKSA-N 0 0 297.402 3.334 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncnc2ccsc21 ZINC001154889911 805506119 /nfs/dbraw/zinc/50/61/19/805506119.db2.gz KWTMXPQFPLUVQG-UHFFFAOYSA-N 0 0 285.372 3.423 20 10 CGCDRN CCN(Cc1ccccc1O)c1nccnc1OC1CCC1 ZINC001154890977 805506344 /nfs/dbraw/zinc/50/63/44/805506344.db2.gz YTXXQNSVVXWMLB-UHFFFAOYSA-N 0 0 299.374 3.140 20 10 CGCDRN c1ccc(N2CC=C(Cc3ccccn3)CC2)cc1 ZINC001250320596 805565300 /nfs/dbraw/zinc/56/53/00/805565300.db2.gz VJQLRCYMTGGQKR-UHFFFAOYSA-N 0 0 250.345 3.461 20 10 CGCDRN Cc1ccccc1Cc1nnc(-c2cccc(O)c2O)o1 ZINC001258375811 807431732 /nfs/dbraw/zinc/43/17/32/807431732.db2.gz KJWXGRGOPYDOTQ-UHFFFAOYSA-N 0 0 282.299 3.047 20 10 CGCDRN O=S(=O)(Nc1ccc(O)c2ccccc12)C1CCCC1 ZINC001259801187 807685750 /nfs/dbraw/zinc/68/57/50/807685750.db2.gz XRHCSCOGQIFIPR-UHFFFAOYSA-N 0 0 291.372 3.230 20 10 CGCDRN Oc1ccc(CNc2ccc3[nH]c(C4CC4)cc3n2)cc1O ZINC001169990165 807734121 /nfs/dbraw/zinc/73/41/21/807734121.db2.gz BLHPZFZDYCGYBJ-UHFFFAOYSA-N 0 0 295.342 3.464 20 10 CGCDRN Oc1ccc(CNc2cc3cc(F)ccc3cn2)cc1O ZINC001169990499 807734228 /nfs/dbraw/zinc/73/42/28/807734228.db2.gz HJVYSLPXKVYPMQ-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN Cc1cc(Cl)cnc1NCc1ccc(O)c(O)c1 ZINC001169995236 807735997 /nfs/dbraw/zinc/73/59/97/807735997.db2.gz VJNZICUQKLXGHH-UHFFFAOYSA-N 0 0 264.712 3.067 20 10 CGCDRN CCCOc1ncc(NCc2ccc(O)c(O)c2)cc1C ZINC001169996574 807736583 /nfs/dbraw/zinc/73/65/83/807736583.db2.gz CGCPGACRSNNVPB-UHFFFAOYSA-N 0 0 288.347 3.202 20 10 CGCDRN C=Cc1ccccc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170314569 807824900 /nfs/dbraw/zinc/82/49/00/807824900.db2.gz FACLNEWVCWRVPK-UHFFFAOYSA-N 0 0 269.300 3.036 20 10 CGCDRN COc1cccc(F)c1CNCc1ccc(N(C)C)cc1 ZINC001262367084 807857476 /nfs/dbraw/zinc/85/74/76/807857476.db2.gz HPPCNYLFUBCNAK-UHFFFAOYSA-N 0 0 288.366 3.190 20 10 CGCDRN Nc1ccc(CNC(=O)Cc2ccc(C3CCC3)cc2)cc1 ZINC001263303953 807945789 /nfs/dbraw/zinc/94/57/89/807945789.db2.gz NSDWTGMQUAMDRR-UHFFFAOYSA-N 0 0 294.398 3.395 20 10 CGCDRN Nc1cnc(NCc2cc3ccccc3cc2O)c(F)c1 ZINC001171400735 808046777 /nfs/dbraw/zinc/04/67/77/808046777.db2.gz YXKPUWABVUIWRB-UHFFFAOYSA-N 0 0 283.306 3.274 20 10 CGCDRN Oc1c(F)cc(F)cc1Nc1ccnc2ccccc21 ZINC001174039640 808839183 /nfs/dbraw/zinc/83/91/83/808839183.db2.gz WOWHUGVFPAQHRQ-UHFFFAOYSA-N 0 0 272.254 3.384 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc(N(C)C)cc1 ZINC001274329797 808872797 /nfs/dbraw/zinc/87/27/97/808872797.db2.gz MFRWIAKKQSPPCZ-WYMLVPIESA-N 0 0 295.386 3.214 20 10 CGCDRN CCOc1cc(F)cc(Nc2cccc(O)c2O)c1 ZINC001175005653 809235746 /nfs/dbraw/zinc/23/57/46/809235746.db2.gz DNTUFRIVAWATBZ-UHFFFAOYSA-N 0 0 263.268 3.379 20 10 CGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C\c2cn(C)cn2)cc1 ZINC001288849624 809370476 /nfs/dbraw/zinc/37/04/76/809370476.db2.gz GYLULURLRCZOHM-YFHOEESVSA-N 0 0 295.386 3.185 20 10 CGCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCC[C@@H]1C ZINC001292735445 809436011 /nfs/dbraw/zinc/43/60/11/809436011.db2.gz KFOAQMVWRHNEEK-JSGCOSHPSA-N 0 0 291.391 3.068 20 10 CGCDRN CC(C)(C)CC(C)(C)C(=O)NCc1cc(O)ccc1O ZINC001176756114 809759025 /nfs/dbraw/zinc/75/90/25/809759025.db2.gz XMNBKKGDLXKKQR-UHFFFAOYSA-N 0 0 279.380 3.176 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1C[C@@H]1C ZINC001178565166 809876241 /nfs/dbraw/zinc/87/62/41/809876241.db2.gz IMWOQISJHDTLNB-KNHMANMVSA-N 0 0 287.403 3.405 20 10 CGCDRN CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001180325810 809993569 /nfs/dbraw/zinc/99/35/69/809993569.db2.gz BEHNHUBMCAEOQY-OLZOCXBDSA-N 0 0 299.361 3.354 20 10 CGCDRN CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001180603872 810013240 /nfs/dbraw/zinc/01/32/40/810013240.db2.gz YEZJEAYJVPSSPD-MRVPVSSYSA-N 0 0 283.240 3.491 20 10 CGCDRN CN(Cc1cc2cccnc2o1)c1ccc2c(c1)OCO2 ZINC001180758828 810021709 /nfs/dbraw/zinc/02/17/09/810021709.db2.gz LJTCFIZPGVMRKO-UHFFFAOYSA-N 0 0 282.299 3.193 20 10 CGCDRN C[C@@H](NC(=O)Nc1cccc(O)c1O)C1CCCCC1 ZINC001186342526 810330983 /nfs/dbraw/zinc/33/09/83/810330983.db2.gz HOIQGMPDEOGRSZ-SNVBAGLBSA-N 0 0 278.352 3.188 20 10 CGCDRN C=Cc1ccc(C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001186512550 810344170 /nfs/dbraw/zinc/34/41/70/810344170.db2.gz IUCWDMGSLASNFD-UHFFFAOYSA-N 0 0 279.339 3.234 20 10 CGCDRN COc1cccc(C)c1C(=O)NCc1c(C)cc(C)cc1O ZINC001188812412 810516858 /nfs/dbraw/zinc/51/68/58/810516858.db2.gz CXKCGSOPGMDUSP-UHFFFAOYSA-N 0 0 299.370 3.256 20 10 CGCDRN Cc1cccc(CNC(=O)N[C@H]2CC[C@H](C)CC2)c1O ZINC001191846852 810751573 /nfs/dbraw/zinc/75/15/73/810751573.db2.gz FJSSTXMSOFUFIY-YEORSEQZSA-N 0 0 276.380 3.079 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193237068 810866196 /nfs/dbraw/zinc/86/61/96/810866196.db2.gz VROKJVHXXDDKCU-RKDXNWHRSA-N 0 0 285.771 3.306 20 10 CGCDRN Cc1cc(C)c(CNC(=O)OCC(C)(C)C)c(O)c1 ZINC001194408490 811071081 /nfs/dbraw/zinc/07/10/81/811071081.db2.gz BXTROUXLQNMRQY-UHFFFAOYSA-N 0 0 265.353 3.281 20 10 CGCDRN CCNC(=S)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001195374964 811249647 /nfs/dbraw/zinc/24/96/47/811249647.db2.gz XCUFSSHKGLPWHU-AWEZNQCLSA-N 0 0 292.448 3.116 20 10 CGCDRN Cc1ccc(F)cc1NC(=S)NCc1ccccn1 ZINC001195875432 811298249 /nfs/dbraw/zinc/29/82/49/811298249.db2.gz WNJHVMQFHSOOMI-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN Cc1ccc(NC(=S)NCc2cc(F)ccn2)cc1 ZINC001197945566 811466696 /nfs/dbraw/zinc/46/66/96/811466696.db2.gz MINMGALPPJCFQL-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CC(C)NC(=S)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001200780725 811743443 /nfs/dbraw/zinc/74/34/43/811743443.db2.gz BTCJROZJTXWDIH-UHFFFAOYSA-N 0 0 291.464 3.002 20 10 CGCDRN Cc1ccc(NC(=O)Nc2cccc(O)c2O)cc1 ZINC001202429601 812090943 /nfs/dbraw/zinc/09/09/43/812090943.db2.gz CUEMNPGILNWOQN-UHFFFAOYSA-N 0 0 258.277 3.050 20 10 CGCDRN Oc1ccc(-c2nc(-c3ccc(F)cc3F)no2)cc1O ZINC001215304242 815504990 /nfs/dbraw/zinc/50/49/90/815504990.db2.gz HUYRSBWQBMBCJL-UHFFFAOYSA-N 0 0 290.225 3.093 20 10 CGCDRN CCN(Cc1ccccc1O)C(=O)NCc1ccccc1 ZINC001202631135 812141583 /nfs/dbraw/zinc/14/15/83/812141583.db2.gz PIQPESMYGPLTIL-UHFFFAOYSA-N 0 0 284.359 3.124 20 10 CGCDRN Cc1cccc(-c2noc(-c3ccc(O)c(O)c3O)n2)c1C ZINC001215325100 815506887 /nfs/dbraw/zinc/50/68/87/815506887.db2.gz AKCMZCQHMPSYSH-UHFFFAOYSA-N 0 0 298.298 3.137 20 10 CGCDRN CCc1cccc(-c2noc(-c3ccc(O)c(O)c3O)n2)c1 ZINC001215325154 815507354 /nfs/dbraw/zinc/50/73/54/815507354.db2.gz DQCSXCMJZGGGJI-UHFFFAOYSA-N 0 0 298.298 3.083 20 10 CGCDRN COc1ccccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203437511 812356447 /nfs/dbraw/zinc/35/64/47/812356447.db2.gz DLYQMLVKKVXCGX-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN Cn1cc(Cl)c(NCc2c(O)ccc(Cl)c2F)n1 ZINC001203479814 812371322 /nfs/dbraw/zinc/37/13/22/812371322.db2.gz YKJCBHUOWUXQEQ-UHFFFAOYSA-N 0 0 290.125 3.184 20 10 CGCDRN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203582178 812398409 /nfs/dbraw/zinc/39/84/09/812398409.db2.gz VALNCYAOGXTVDA-KCJUWKMLSA-N 0 0 290.190 3.044 20 10 CGCDRN COc1ccc(CN2CCC[C@H]2c2nccs2)c(O)c1 ZINC001203629020 812410848 /nfs/dbraw/zinc/41/08/48/812410848.db2.gz OERUXJZAVLHXMR-ZDUSSCGKSA-N 0 0 290.388 3.194 20 10 CGCDRN C[C@H]1CN(Cc2ccc(O)cc2O)[C@@H](c2ccccc2)CO1 ZINC001204277400 812595139 /nfs/dbraw/zinc/59/51/39/812595139.db2.gz CSSDFTBXOKUSNQ-SUMWQHHRSA-N 0 0 299.370 3.060 20 10 CGCDRN COc1cc(C[N@H+](C)Cc2cccc(C)c2)cc(O)c1O ZINC001204342423 812615783 /nfs/dbraw/zinc/61/57/83/812615783.db2.gz LXILRSLEFKXBSI-UHFFFAOYSA-N 0 0 287.359 3.047 20 10 CGCDRN Cn1c(=O)ccc2ccc(-c3cncc(C4CC4)c3)cc21 ZINC001204598355 812685924 /nfs/dbraw/zinc/68/59/24/812685924.db2.gz UVFLDMGEYRCSGW-UHFFFAOYSA-N 0 0 276.339 3.478 20 10 CGCDRN Oc1ccc(F)cc1CN[C@H]1COc2cc(F)cc(F)c21 ZINC001205394594 812978451 /nfs/dbraw/zinc/97/84/51/812978451.db2.gz UCWRKIBSGPXIFM-LBPRGKRZSA-N 0 0 295.260 3.033 20 10 CGCDRN Fc1cnc(Cl)cc1Nc1ccc2c(c1)OCCN2 ZINC001209704980 814116187 /nfs/dbraw/zinc/11/61/87/814116187.db2.gz MESXWXGEUNQOGQ-UHFFFAOYSA-N 0 0 279.702 3.422 20 10 CGCDRN COc1ccc(OC)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209727416 814123227 /nfs/dbraw/zinc/12/32/27/814123227.db2.gz GZPFJMJUQWVGBG-UHFFFAOYSA-N 0 0 286.331 3.252 20 10 CGCDRN c1noc2ccc(Nc3ccc4c(c3)OCCN4)cc12 ZINC001209767543 814134511 /nfs/dbraw/zinc/13/45/11/814134511.db2.gz LWPPVDOUNBQYST-UHFFFAOYSA-N 0 0 267.288 3.376 20 10 CGCDRN O=C1CCc2cc(Nc3ccc4c(c3)OCCN4)ccc2N1 ZINC001209767058 814134764 /nfs/dbraw/zinc/13/47/64/814134764.db2.gz IUEPHPUPLHGWTP-UHFFFAOYSA-N 0 0 295.342 3.119 20 10 CGCDRN CC(C)(O)c1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209766300 814134834 /nfs/dbraw/zinc/13/48/34/814134834.db2.gz MYZPXIOKCZLHLT-UHFFFAOYSA-N 0 0 284.359 3.462 20 10 CGCDRN COC(=O)c1c(C)cccc1Nc1ccc2c(c1)OCCN2 ZINC001209788158 814139345 /nfs/dbraw/zinc/13/93/45/814139345.db2.gz FWLFNBGQIWYVHU-UHFFFAOYSA-N 0 0 298.342 3.330 20 10 CGCDRN COCc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209789019 814140031 /nfs/dbraw/zinc/14/00/31/814140031.db2.gz TYKHTHXTMQPWAN-UHFFFAOYSA-N 0 0 270.332 3.381 20 10 CGCDRN CSc1cncc(-c2nccc3c2ccn3C)c1 ZINC001242946398 823183735 /nfs/dbraw/zinc/18/37/35/823183735.db2.gz LMVHYCNHMPHTMN-UHFFFAOYSA-N 0 0 255.346 3.357 20 10 CGCDRN Nc1ccc(CC(=O)Nc2cccc3cc(O)ccc32)cc1 ZINC001219033238 816262199 /nfs/dbraw/zinc/26/21/99/816262199.db2.gz JILHNYSURFUEFN-UHFFFAOYSA-N 0 0 292.338 3.309 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC001222526976 816461882 /nfs/dbraw/zinc/46/18/82/816461882.db2.gz IJNSOYBUBDXKJC-BXUZGUMPSA-N 0 0 294.370 3.299 20 10 CGCDRN CSc1ncc(-c2ccc3ncc(=O)n(C)c3c2)cc1C ZINC001243146524 823263109 /nfs/dbraw/zinc/26/31/09/823263109.db2.gz AUCAPEQAQIUNGF-UHFFFAOYSA-N 0 0 297.383 3.026 20 10 CGCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC1CCC1 ZINC001227937555 817759132 /nfs/dbraw/zinc/75/91/32/817759132.db2.gz MHIKVLZHCCSSGP-UHFFFAOYSA-N 0 0 284.311 3.260 20 10 CGCDRN C[C@@H](Oc1ccc(N(C)C)cc1)c1ncccc1F ZINC001227938654 817759161 /nfs/dbraw/zinc/75/91/61/817759161.db2.gz BGOSJJJXXSDSKJ-LLVKDONJSA-N 0 0 260.312 3.427 20 10 CGCDRN C[C@H](Oc1ccc(N(C)C)cc1)c1ncccc1F ZINC001227938655 817759433 /nfs/dbraw/zinc/75/94/33/817759433.db2.gz BGOSJJJXXSDSKJ-NSHDSACASA-N 0 0 260.312 3.427 20 10 CGCDRN CN(C)c1ccc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001227941266 817760026 /nfs/dbraw/zinc/76/00/26/817760026.db2.gz TZXDFXLJVWIKHG-KRWDZBQOSA-N 0 0 298.342 3.207 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@]1(C)O ZINC001231587941 818129234 /nfs/dbraw/zinc/12/92/34/818129234.db2.gz JQPZREALAYQFTB-ACJLOTCBSA-N 0 0 285.387 3.138 20 10 CGCDRN CN1C[C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC001231590353 818130108 /nfs/dbraw/zinc/13/01/08/818130108.db2.gz VOEPGMZNEDPUNP-MAUKXSAKSA-N 0 0 296.414 3.071 20 10 CGCDRN CC(C)Oc1ncccc1CN1CCc2cccc(O)c2C1 ZINC001231762835 818169781 /nfs/dbraw/zinc/16/97/81/818169781.db2.gz SZZIZZDTKCCSMY-UHFFFAOYSA-N 0 0 298.386 3.133 20 10 CGCDRN Oc1c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)ccc2ccccc21 ZINC001231880321 818200045 /nfs/dbraw/zinc/20/00/45/818200045.db2.gz BSRNALFVSUPOKT-YOEHRIQHSA-N 0 0 283.371 3.156 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)[C@H]1CO ZINC001231879996 818200204 /nfs/dbraw/zinc/20/02/04/818200204.db2.gz ZWDPZTFIICVLIS-GUYCJALGSA-N 0 0 285.387 3.138 20 10 CGCDRN C[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(Br)cc1F ZINC001233026646 818503009 /nfs/dbraw/zinc/50/30/09/818503009.db2.gz BCJLSALBQLTLNM-MRVPVSSYSA-N 0 0 288.160 3.278 20 10 CGCDRN [O-]c1c(CN2CC[C@H](CF)C(F)(F)C2)ccc(F)c1F ZINC001233074719 818516653 /nfs/dbraw/zinc/51/66/53/818516653.db2.gz UTCIGMMMRGCCKY-SECBINFHSA-N 0 0 295.251 3.097 20 10 CGCDRN O=C1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H]2CCCC[C@H]12 ZINC001233074671 818517497 /nfs/dbraw/zinc/51/74/97/818517497.db2.gz RVUBBCXDOWPHAN-WCQYABFASA-N 0 0 295.329 3.004 20 10 CGCDRN Oc1cccc2c1C[N@H+](Cc1ccc([S-])cc1)CC2 ZINC001233262269 818559625 /nfs/dbraw/zinc/55/96/25/818559625.db2.gz YPFZBZUVJDXSDI-UHFFFAOYSA-N 0 0 271.385 3.239 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001233332187 818585508 /nfs/dbraw/zinc/58/55/08/818585508.db2.gz BLTRSIMGSQEGTC-GHMZBOCLSA-N 0 0 267.319 3.292 20 10 CGCDRN Oc1c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cccc1C(F)(F)F ZINC001233416449 818615118 /nfs/dbraw/zinc/61/51/18/818615118.db2.gz IKAWALSICTUHCO-JBLDHEPKSA-N 0 0 289.272 3.201 20 10 CGCDRN CCCC(=O)c1cc(O)c(O)cc1OC1CC(F)(F)C1 ZINC001233499432 818629264 /nfs/dbraw/zinc/62/92/64/818629264.db2.gz ZKPQYNDFBPNVCI-UHFFFAOYSA-N 0 0 286.274 3.257 20 10 CGCDRN CCC[C@H](CC(=O)OC)Oc1ccc2c(c1)CCN2CC ZINC001233602134 818656465 /nfs/dbraw/zinc/65/64/65/818656465.db2.gz OPMZAOOKVOXQNE-CQSZACIVSA-N 0 0 291.391 3.180 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](c1cccnc1)C1CC1 ZINC001234476174 818864571 /nfs/dbraw/zinc/86/45/71/818864571.db2.gz LMZWOGUCBSEGOK-QGZVFWFLSA-N 0 0 299.326 3.226 20 10 CGCDRN COC(=O)c1cc2ccc(-c3cnc(C)s3)cc2n1C ZINC001243378874 823380378 /nfs/dbraw/zinc/38/03/78/823380378.db2.gz KSYJNIXCCRCFOS-UHFFFAOYSA-N 0 0 286.356 3.397 20 10 CGCDRN CO[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235674630 819135242 /nfs/dbraw/zinc/13/52/42/819135242.db2.gz HETZSFIYNYWALB-HNNXBMFYSA-N 0 0 277.408 3.301 20 10 CGCDRN CC(C)(C)c1ccc(CN2CCOCC(F)(F)C2)c(O)c1 ZINC001235675981 819136953 /nfs/dbraw/zinc/13/69/53/819136953.db2.gz NJPIWXYSIKWZJQ-UHFFFAOYSA-N 0 0 299.361 3.157 20 10 CGCDRN Cc1cc2c(cccc2-c2ccc(CO)nc2)n1C ZINC001243468699 823413003 /nfs/dbraw/zinc/41/30/03/823413003.db2.gz AZHWAUFRBBWSTP-UHFFFAOYSA-N 0 0 252.317 3.041 20 10 CGCDRN CCc1ccc(CN2CC[C@@H](C)C(F)(F)C2)c(O)c1 ZINC001236782472 819593357 /nfs/dbraw/zinc/59/33/57/819593357.db2.gz BNSHCEDKSDJIFS-LLVKDONJSA-N 0 0 269.335 3.432 20 10 CGCDRN Oc1cc(Cl)c(Cl)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001236792164 819595525 /nfs/dbraw/zinc/59/55/25/819595525.db2.gz COVZTFURTVAZKT-AOOOYVTPSA-N 0 0 282.117 3.191 20 10 CGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC001236793115 819598281 /nfs/dbraw/zinc/59/82/81/819598281.db2.gz HVSTZOAVJUNWRQ-JTQLQIEISA-N 0 0 290.190 3.046 20 10 CGCDRN COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236801082 819599043 /nfs/dbraw/zinc/59/90/43/819599043.db2.gz FRMBZAVKLMJGTI-LBPRGKRZSA-N 0 0 299.798 3.055 20 10 CGCDRN CC[C@H]1COCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236798605 819599888 /nfs/dbraw/zinc/59/98/88/819599888.db2.gz INOMTBPJRNXKOS-JTQLQIEISA-N 0 0 290.190 3.310 20 10 CGCDRN CC[C@H](C)[N@H+](C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236801064 819600205 /nfs/dbraw/zinc/60/02/05/819600205.db2.gz DJYQDUZJCLFAER-VIFPVBQESA-N 0 0 257.761 3.285 20 10 CGCDRN COc1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c([O-])c1Cl ZINC001236807093 819601124 /nfs/dbraw/zinc/60/11/24/819601124.db2.gz MKHIQBZCGXMELL-LBPRGKRZSA-N 0 0 299.798 3.054 20 10 CGCDRN COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([O-])c1Cl ZINC001236802784 819602128 /nfs/dbraw/zinc/60/21/28/819602128.db2.gz USTNLPGXCFZYDT-PHIMTYICSA-N 0 0 281.783 3.286 20 10 CGCDRN Oc1cc2ccccc2cc1CN1CCOCC(F)(F)C1 ZINC001236826731 819609919 /nfs/dbraw/zinc/60/99/19/819609919.db2.gz MBCQGONPWSFOGO-UHFFFAOYSA-N 0 0 293.313 3.013 20 10 CGCDRN Oc1cc2ccccc2cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001236831097 819612319 /nfs/dbraw/zinc/61/23/19/819612319.db2.gz FFHWTPVDJVZCDT-GOSISDBHSA-N 0 0 283.371 3.300 20 10 CGCDRN Oc1ccc(Cl)c(Cl)c1CN1Cc2cncnc2C1 ZINC001237077981 819661850 /nfs/dbraw/zinc/66/18/50/819661850.db2.gz LUQDQCSMHRGOMG-UHFFFAOYSA-N 0 0 296.157 3.005 20 10 CGCDRN C[C@H]1CC(=O)CCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237078930 819661962 /nfs/dbraw/zinc/66/19/62/819661962.db2.gz ZZLWBAJIJCQZCA-QMMMGPOBSA-N 0 0 288.174 3.252 20 10 CGCDRN C[C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CCC1=O ZINC001237078551 819662692 /nfs/dbraw/zinc/66/26/92/819662692.db2.gz ULDPKNGBBMPQJJ-QMMMGPOBSA-N 0 0 288.174 3.110 20 10 CGCDRN Oc1cccc(OC(F)(F)F)c1CN1CC2(CCC2)C1 ZINC001237116856 819671817 /nfs/dbraw/zinc/67/18/17/819671817.db2.gz MPYGQVMIQIUJBT-UHFFFAOYSA-N 0 0 287.281 3.277 20 10 CGCDRN Oc1ccc(F)c(Cl)c1CN1CCC[C@@H]1CF ZINC001237129169 819675532 /nfs/dbraw/zinc/67/55/32/819675532.db2.gz WBSHGQACUPRGEV-MRVPVSSYSA-N 0 0 261.699 3.119 20 10 CGCDRN CCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686226 819805444 /nfs/dbraw/zinc/80/54/44/819805444.db2.gz GTGKROWFQRRGDJ-AWEZNQCLSA-N 0 0 283.799 3.355 20 10 CGCDRN Cc1cc(CN(C)Cc2cc(Cl)cc(C)c2O)n(C)n1 ZINC001237687589 819807392 /nfs/dbraw/zinc/80/73/92/819807392.db2.gz NQQZWGAEILVJEW-UHFFFAOYSA-N 0 0 293.798 3.028 20 10 CGCDRN C[N@H+](CCc1cccnc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237799738 819845916 /nfs/dbraw/zinc/84/59/16/819845916.db2.gz UBGHOJGVHSKLSV-UHFFFAOYSA-N 0 0 294.757 3.254 20 10 CGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC(CF)CC1 ZINC001237799804 819846393 /nfs/dbraw/zinc/84/63/93/819846393.db2.gz USGXVXNSUDHXGS-UHFFFAOYSA-N 0 0 275.726 3.366 20 10 CGCDRN CC[N@H+](Cc1cc(F)cc(Cl)c1[O-])C1CCOCC1 ZINC001237814966 819850786 /nfs/dbraw/zinc/85/07/86/819850786.db2.gz UFHAFPKPRLXLOX-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN COc1ccc2c(c1)CN(Cc1cc(F)cc(C)c1O)C2 ZINC001238062889 819920601 /nfs/dbraw/zinc/92/06/01/819920601.db2.gz UFUIYEZCYYXAFG-UHFFFAOYSA-N 0 0 287.334 3.364 20 10 CGCDRN CC(C)Cn1ccc(-c2cnn(C(C)(C)C)c2)cc1=O ZINC001243564062 823447185 /nfs/dbraw/zinc/44/71/85/823447185.db2.gz RFLCGIKXJQADIQ-UHFFFAOYSA-N 0 0 273.380 3.123 20 10 CGCDRN CCn1ccc(-c2cnc(OC(C)C)cc2C)cc1=O ZINC001238828343 820128225 /nfs/dbraw/zinc/12/82/25/820128225.db2.gz IFDMBCXMVJQCFL-UHFFFAOYSA-N 0 0 272.348 3.026 20 10 CGCDRN CC(C)Cn1ccc(-c2cc3ccccc3[nH]c2=O)cc1=O ZINC001238884689 820147281 /nfs/dbraw/zinc/14/72/81/820147281.db2.gz YSWPGPBVQDJKSA-UHFFFAOYSA-N 0 0 294.354 3.425 20 10 CGCDRN CN(c1ccc(-c2ccn(C)c(=O)c2)cn1)C1CCCCC1 ZINC001243596232 823461213 /nfs/dbraw/zinc/46/12/13/823461213.db2.gz VPWPNKCFUJOILP-UHFFFAOYSA-N 0 0 297.402 3.216 20 10 CGCDRN CCCCCCOC(=O)NCCc1ccc(N)cc1 ZINC001239325260 820271726 /nfs/dbraw/zinc/27/17/26/820271726.db2.gz CZQOWPBYBHJVPH-UHFFFAOYSA-N 0 0 264.369 3.118 20 10 CGCDRN COC(=O)c1cnc(-c2ccc(C)nc2C)c2ccn(C)c21 ZINC001239441818 820307580 /nfs/dbraw/zinc/30/75/80/820307580.db2.gz LMJAULPZCXPZGA-UHFFFAOYSA-N 0 0 295.342 3.039 20 10 CGCDRN COc1ncccc1-c1cc(N(C)c2ccccc2)ncn1 ZINC001239856189 820662257 /nfs/dbraw/zinc/66/22/57/820662257.db2.gz JVWYVUTYRZVBGL-UHFFFAOYSA-N 0 0 292.342 3.315 20 10 CGCDRN Cc1cc2c(cccc2-c2cnn(CC(C)(C)O)c2)n1C ZINC001240199939 820871257 /nfs/dbraw/zinc/87/12/57/820871257.db2.gz JKWATKWONMZGKX-UHFFFAOYSA-N 0 0 283.375 3.121 20 10 CGCDRN Cc1cc2cc(-c3ccn(CC4CC4)c(=O)c3)cnc2[nH]1 ZINC001240488299 821083984 /nfs/dbraw/zinc/08/39/84/821083984.db2.gz ADRMSSJXFJSSOF-UHFFFAOYSA-N 0 0 279.343 3.110 20 10 CGCDRN CCOc1ncccc1-c1cnc2ccn(C)c2c1 ZINC001240493608 821087398 /nfs/dbraw/zinc/08/73/98/821087398.db2.gz FDFKFODHSQNSHD-UHFFFAOYSA-N 0 0 253.305 3.034 20 10 CGCDRN Cc1cnc2c(ccnc2-c2ccc3ccn(C)c3c2)n1 ZINC001240571875 821158212 /nfs/dbraw/zinc/15/82/12/821158212.db2.gz NDYBTTBOVFQLIX-UHFFFAOYSA-N 0 0 274.327 3.492 20 10 CGCDRN Cn1ccc2ncc(-c3cnn([C@@H]4CCCCO4)c3)cc21 ZINC001240679414 821237822 /nfs/dbraw/zinc/23/78/22/821237822.db2.gz XPONTAHNMKUEMG-INIZCTEOSA-N 0 0 282.347 3.136 20 10 CGCDRN COC(=O)c1cc2ccc(-c3ccccc3N)cc2n1C ZINC001241072315 821540433 /nfs/dbraw/zinc/54/04/33/821540433.db2.gz JGQCMAGTXDSKKD-UHFFFAOYSA-N 0 0 280.327 3.214 20 10 CGCDRN CCc1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241355149 821756897 /nfs/dbraw/zinc/75/68/97/821756897.db2.gz PYQJOPSNOQKASB-UHFFFAOYSA-N 0 0 265.360 3.333 20 10 CGCDRN c1ncc(-c2cc(N3CCc4ccccc43)ncn2)s1 ZINC001241496973 821898660 /nfs/dbraw/zinc/89/86/60/821898660.db2.gz GBLYUGCHNFWSIK-UHFFFAOYSA-N 0 0 280.356 3.294 20 10 CGCDRN Cc1cn2cc(-c3cccc4c3ccn4C)cnc2n1 ZINC001241821227 822162534 /nfs/dbraw/zinc/16/25/34/822162534.db2.gz BYPTXSDQZHIVQW-UHFFFAOYSA-N 0 0 262.316 3.196 20 10 CGCDRN CC(=O)Nc1ccc(-c2cccc3c2ccn3C)cn1 ZINC001241821512 822163114 /nfs/dbraw/zinc/16/31/14/822163114.db2.gz GNBVPRUPMWLRBI-UHFFFAOYSA-N 0 0 265.316 3.199 20 10 CGCDRN Cc1cnc2c(ccnc2-c2cccc3c2ccn3C)n1 ZINC001241822282 822163730 /nfs/dbraw/zinc/16/37/30/822163730.db2.gz PLPPGPRPMULEDL-UHFFFAOYSA-N 0 0 274.327 3.492 20 10 CGCDRN CC(=O)Nc1cccnc1-c1cccc2c1ccn2C ZINC001241823211 822163899 /nfs/dbraw/zinc/16/38/99/822163899.db2.gz YCFMZHWHVBWFEW-UHFFFAOYSA-N 0 0 265.316 3.199 20 10 CGCDRN Cc1nnc2ccc(-c3cccc4c3ccn4C)cn12 ZINC001241823745 822164898 /nfs/dbraw/zinc/16/48/98/822164898.db2.gz FIBOKVSUSSBVRC-UHFFFAOYSA-N 0 0 262.316 3.196 20 10 CGCDRN Cn1ccc2c1ncnc2-c1cnn(C2CCCCC2)c1 ZINC001241837863 822173030 /nfs/dbraw/zinc/17/30/30/822173030.db2.gz BCRMZUAHDYAROY-UHFFFAOYSA-N 0 0 281.363 3.337 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCS1 ZINC001335111119 936130337 /nfs/dbraw/zinc/13/03/37/936130337.db2.gz BHBQAAJLCHKLFN-GXSJLCMTSA-N 0 0 271.813 3.419 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC001343566788 936507011 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/nfs/dbraw/zinc/05/79/34/937057934.db2.gz CSTWAVKMOCOLRX-BQYQJAHWSA-N 0 0 289.766 3.140 20 10 CGCDRN C=CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001356508914 927273183 /nfs/dbraw/zinc/27/31/83/927273183.db2.gz HIYPYRVCSRKLRO-UHFFFAOYSA-N 0 0 272.392 3.258 20 10 CGCDRN CCN1C(=O)/C(=C/c2nc(Cl)cs2)SC1=S ZINC000759072049 928872918 /nfs/dbraw/zinc/87/29/18/928872918.db2.gz JFGMQNDNWHMGTM-HYXAFXHYSA-N 0 0 290.822 3.018 20 10 CGCDRN CCN1C(=O)/C(=C\c2nc(Cl)cs2)SC1=S ZINC000759072045 928873831 /nfs/dbraw/zinc/87/38/31/928873831.db2.gz JFGMQNDNWHMGTM-HWKANZROSA-N 0 0 290.822 3.018 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(C(C)(C)C)nn2)cc1 ZINC001116785615 928883109 /nfs/dbraw/zinc/88/31/09/928883109.db2.gz DGFURUSXBFVENA-UHFFFAOYSA-N 0 0 284.407 3.452 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccccc2C)cn1 ZINC001437928695 937299652 /nfs/dbraw/zinc/29/96/52/937299652.db2.gz MNCZPGATLILDNC-KHPPLWFESA-N 0 0 266.344 3.375 20 10 CGCDRN O=C(Nc1cc(Cl)cc2c[nH]nc21)C1=CC(=O)CS1 ZINC001457050275 937437723 /nfs/dbraw/zinc/43/77/23/937437723.db2.gz WSCSUOFNXLGPGI-UHFFFAOYSA-N 0 0 293.735 3.236 20 10 CGCDRN CC(C)CN(C(=O)/C=C\c1cn(C)cn1)c1ccccc1 ZINC001459934076 937507070 /nfs/dbraw/zinc/50/70/70/937507070.db2.gz UZMUTKIHEVYCSP-KTKRTIGZSA-N 0 0 283.375 3.123 20 10 CGCDRN CN(C)c1ccccc1CNc1ccc2c(c1)ncn2C ZINC001461293624 937574822 /nfs/dbraw/zinc/57/48/22/937574822.db2.gz LPZGNFYRHKFCPL-UHFFFAOYSA-N 0 0 280.375 3.251 20 10 CGCDRN CN(Cc1c(Cl)ccnc1F)c1ccc2c(c1)OCO2 ZINC001462074039 937616125 /nfs/dbraw/zinc/61/61/25/937616125.db2.gz JEAMYPUMVHADMW-UHFFFAOYSA-N 0 0 294.713 3.239 20 10 CGCDRN CCCC[C@@H](CC)CC(=O)NCc1c(O)cccc1O ZINC001304053044 932840652 /nfs/dbraw/zinc/84/06/52/932840652.db2.gz AIYBTIXFAOCEBS-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001462362365 937635554 /nfs/dbraw/zinc/63/55/54/937635554.db2.gz BSRPUCJSLPRNMW-VHSXEESVSA-N 0 0 259.271 3.041 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)c(F)cc1[O-])C(C)(F)F ZINC001462510479 937646169 /nfs/dbraw/zinc/64/61/69/937646169.db2.gz HTFMQMPRJYNWHD-UHFFFAOYSA-N 0 0 279.277 3.441 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCO[C@H]2C)cc1 ZINC001307678968 932984783 /nfs/dbraw/zinc/98/47/83/932984783.db2.gz PFYGMQRAYNRZOV-UONOGXRCSA-N 0 0 263.381 3.335 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc(C(F)F)nc1 ZINC001462595961 937652307 /nfs/dbraw/zinc/65/23/07/937652307.db2.gz WXBXXLPDNOLNAE-UHFFFAOYSA-N 0 0 282.265 3.154 20 10 CGCDRN C[C@]12C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001462622170 937654587 /nfs/dbraw/zinc/65/45/87/937654587.db2.gz ZLCUQYADENPPGG-YRZLHWLASA-N 0 0 291.341 3.314 20 10 CGCDRN Cc1nnc([C@@H](C)NCc2ccc(Cl)cc2O)s1 ZINC001308672697 933154663 /nfs/dbraw/zinc/15/46/63/933154663.db2.gz NMKXYQQUCDDQPC-SSDOTTSWSA-N 0 0 283.784 3.056 20 10 CGCDRN Cc1ccc(CNc2ccc(OC(F)F)nc2)c(O)c1 ZINC001308716528 933164579 /nfs/dbraw/zinc/16/45/79/933164579.db2.gz VZBDXFTUXGBQBV-UHFFFAOYSA-N 0 0 280.274 3.309 20 10 CGCDRN CCCCCOC1CN(Cc2cc(C)cc(OC)c2O)C1 ZINC001308806942 933180801 /nfs/dbraw/zinc/18/08/01/933180801.db2.gz FAIHQHTXJJYWTM-UHFFFAOYSA-N 0 0 293.407 3.100 20 10 CGCDRN Cc1cc(CNC(=O)C(F)(F)F)c(C)n1-c1ccccc1 ZINC001464229243 937688211 /nfs/dbraw/zinc/68/82/11/937688211.db2.gz JZANYLOBUIGPOM-UHFFFAOYSA-N 0 0 296.292 3.273 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)s2)c1 ZINC001465991394 937705440 /nfs/dbraw/zinc/70/54/40/937705440.db2.gz DCTXNOBIWYWQKX-MRVPVSSYSA-N 0 0 295.335 3.092 20 10 CGCDRN CNc1ccc(C(=O)NCc2ccccc2O)c(Cl)c1 ZINC001465990743 937705508 /nfs/dbraw/zinc/70/55/08/937705508.db2.gz PZMWSGMYPWESBK-UHFFFAOYSA-N 0 0 290.750 3.017 20 10 CGCDRN C[C@@H](NC(=O)Nc1cc(Cl)ccn1)c1ccccc1O ZINC001466513196 937709728 /nfs/dbraw/zinc/70/97/28/937709728.db2.gz MTCDLSBYJHOGEE-SECBINFHSA-N 0 0 291.738 3.323 20 10 CGCDRN Oc1cc(F)c(F)cc1CNc1cnn(C2CCC2)c1 ZINC001474725151 933759732 /nfs/dbraw/zinc/75/97/32/933759732.db2.gz DNNPKHMZQIVKJV-UHFFFAOYSA-N 0 0 279.290 3.204 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC001468430855 937728144 /nfs/dbraw/zinc/72/81/44/937728144.db2.gz FZFSTPPFLYIILA-OLZOCXBDSA-N 0 0 288.391 3.244 20 10 CGCDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC001320090358 933997431 /nfs/dbraw/zinc/99/74/31/933997431.db2.gz AMSNGKIPVGXORM-LBPRGKRZSA-N 0 0 298.390 3.279 20 10 CGCDRN Cc1c(N[C@H]2C[C@H](C)c3c2c(O)ccc3C)cnn1C ZINC001320252215 934021226 /nfs/dbraw/zinc/02/12/26/934021226.db2.gz BLKOCSDCRCOVON-JQWIXIFHSA-N 0 0 271.364 3.403 20 10 CGCDRN Cc1cc(CN(C)c2ccc(OC(C)C)cc2)[nH]n1 ZINC001320772504 934101581 /nfs/dbraw/zinc/10/15/81/934101581.db2.gz JCWYGOIBNYTNAV-UHFFFAOYSA-N 0 0 259.353 3.142 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccccc1O ZINC001471195849 937762563 /nfs/dbraw/zinc/76/25/63/937762563.db2.gz NQOBHFFUUGTVQY-SNVBAGLBSA-N 0 0 291.297 3.090 20 10 CGCDRN Cc1cccn2cc(C(=O)N3Cc4cccc(O)c4C3)cc12 ZINC001471355649 937764804 /nfs/dbraw/zinc/76/48/04/937764804.db2.gz PGGZAEYPEICAAD-UHFFFAOYSA-N 0 0 292.338 3.109 20 10 CGCDRN C[C@H](Nc1cc(C(F)F)ncn1)c1ccccc1O ZINC001472855806 937786823 /nfs/dbraw/zinc/78/68/23/937786823.db2.gz FXMQGARRRFNIAY-QMMMGPOBSA-N 0 0 265.263 3.293 20 10 CGCDRN O=C(CSc1ncc(Cl)s1)c1cscn1 ZINC001473066782 937791414 /nfs/dbraw/zinc/79/14/14/937791414.db2.gz QQHUEKOPWJQLRA-UHFFFAOYSA-N 0 0 276.795 3.228 20 10 CGCDRN COC(=O)c1cc(OCCc2ccccc2)ccc1N(C)C ZINC001473077559 937791606 /nfs/dbraw/zinc/79/16/06/937791606.db2.gz ZNTQHBWDVGCMOH-UHFFFAOYSA-N 0 0 299.370 3.161 20 10 CGCDRN COc1ccc(N(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC001326470877 934982263 /nfs/dbraw/zinc/98/22/63/934982263.db2.gz NNIVPLPVHPCEGI-FQEVSTJZSA-N 0 0 289.400 3.069 20 10 CGCDRN CC1(C)CC(C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001327165993 935039223 /nfs/dbraw/zinc/03/92/23/935039223.db2.gz BZPJTQDYGQKGQA-UHFFFAOYSA-N 0 0 279.727 3.251 20 10 CGCDRN CC(C)=CCC[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC001328309890 935128992 /nfs/dbraw/zinc/12/89/92/935128992.db2.gz QIRTZACFEASYDV-SNVBAGLBSA-N 0 0 253.367 3.318 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccc(F)cc1[O-] ZINC001328400491 935135183 /nfs/dbraw/zinc/13/51/83/935135183.db2.gz RMADHZNADDBKST-HOSYDEDBSA-N 0 0 255.308 3.463 20 10 CGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)n1C1CC1 ZINC001329603002 935233169 /nfs/dbraw/zinc/23/31/69/935233169.db2.gz SPGFVKOEPSSGQH-UHFFFAOYSA-N 0 0 296.370 3.301 20 10 CGCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)cnn1C1CCCC1 ZINC001330609074 935302612 /nfs/dbraw/zinc/30/26/12/935302612.db2.gz XCFFKRSJMSEXNI-UHFFFAOYSA-N 0 0 298.390 3.165 20 10 CGCDRN C[C@@H](NC(=O)NCCCC(F)F)c1ccc(N(C)C)cc1 ZINC001332314870 935459059 /nfs/dbraw/zinc/45/90/59/935459059.db2.gz NTMJGDNGOYMPTH-LLVKDONJSA-N 0 0 299.365 3.158 20 10 CGCDRN C[C@@H]1CC[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333750029 936062655 /nfs/dbraw/zinc/06/26/55/936062655.db2.gz VKTILCJCKQAACA-DTORHVGOSA-N 0 0 291.372 3.326 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)[C@]12C[C@H]1CCCC2 ZINC001335590423 936154375 /nfs/dbraw/zinc/15/43/75/936154375.db2.gz LWZLLSQCTNFAFS-QEORTHHSSA-N 0 0 287.407 3.037 20 10 CGCDRN CC(C)C[C@@]1(C)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001335737203 936157873 /nfs/dbraw/zinc/15/78/73/936157873.db2.gz MFJARGKINXYXPQ-QGZVFWFLSA-N 0 0 289.423 3.379 20 10 CGCDRN CC[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001336241578 936183151 /nfs/dbraw/zinc/18/31/51/936183151.db2.gz RVGHEJMCEFTIAF-OAHLLOKOSA-N 0 0 275.396 3.037 20 10 CGCDRN C[C@H]1CCCC[C@@]1(C)NC(=O)NCc1ccc(N)cc1 ZINC001336290921 936187067 /nfs/dbraw/zinc/18/70/67/936187067.db2.gz XAGTYWRJCOIFHG-BLLLJJGKSA-N 0 0 275.396 3.037 20 10 CGCDRN CC(C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001336799099 936218667 /nfs/dbraw/zinc/21/86/67/936218667.db2.gz KCSXBQCPXLIWEM-HOCLYGCPSA-N 0 0 289.423 3.283 20 10 CGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC001337019799 936232835 /nfs/dbraw/zinc/23/28/35/936232835.db2.gz VOFPTNKVNWJLKA-CXAGYDPISA-N 0 0 295.386 3.171 20 10 CGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@]12C[C@H]1CCCC2 ZINC001474234105 937845758 /nfs/dbraw/zinc/84/57/58/937845758.db2.gz OFWHQQKJBDBLNU-GHJWDPDVSA-N 0 0 290.363 3.359 20 10 CGCDRN CC1(C)CC[C@H](CC[NH2+]Cc2cc(F)c(F)cc2[O-])OC1 ZINC001474728881 937877419 /nfs/dbraw/zinc/87/74/19/937877419.db2.gz SQJHFYKGXJYDPS-GFCCVEGCSA-N 0 0 299.361 3.355 20 10 CGCDRN CCOc1ccccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001475919967 937886091 /nfs/dbraw/zinc/88/60/91/937886091.db2.gz VVKGUWKPEGOQRA-UHFFFAOYSA-N 0 0 298.342 3.339 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001514804484 938002861 /nfs/dbraw/zinc/00/28/61/938002861.db2.gz BWNRCZNQPVFZAZ-HUUCEWRRSA-N 0 0 288.391 3.018 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CC=CCC1 ZINC001521374823 938031592 /nfs/dbraw/zinc/03/15/92/938031592.db2.gz OHTWLLRDULLTLA-HNNXBMFYSA-N 0 0 286.419 3.424 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001523554650 938040198 /nfs/dbraw/zinc/04/01/98/938040198.db2.gz XGRJYVRDKCXADN-AWEZNQCLSA-N 0 0 286.419 3.291 20 10 CGCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1cccc(C)c1 ZINC001524875181 938046310 /nfs/dbraw/zinc/04/63/10/938046310.db2.gz UFWUILWVMYEBKC-SDNWHVSQSA-N 0 0 281.359 3.241 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C\c1cnn(C)c1)CC[C@H]2C ZINC001526673379 938057301 /nfs/dbraw/zinc/05/73/01/938057301.db2.gz TZISREKZHBYUMN-MEJMFZKBSA-N 0 0 295.386 3.282 20 10 CGCDRN CCN(C(=O)/C(C)=C\c1cccnc1)c1cccnc1C ZINC001530873239 938079856 /nfs/dbraw/zinc/07/98/56/938079856.db2.gz XCKUNLNPAZIIMY-QBFSEMIESA-N 0 0 281.359 3.241 20 10 CGCDRN CCO/C=C/C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001540537599 938131887 /nfs/dbraw/zinc/13/18/87/938131887.db2.gz CFHJNGSMTWUKEI-OUKQBFOZSA-N 0 0 290.407 3.041 20 10 CGCDRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c(O)c1O ZINC001556417773 938203695 /nfs/dbraw/zinc/20/36/95/938203695.db2.gz CYLDRUHOZKQJQH-RTXFEEFZSA-N 0 0 291.391 3.208 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)ccc2F)c1 ZINC001557553018 938210491 /nfs/dbraw/zinc/21/04/91/938210491.db2.gz JNPAXTFOMUBLKW-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2c(C)cccc2F)c1 ZINC001557553503 938210719 /nfs/dbraw/zinc/21/07/19/938210719.db2.gz OLWQBKCGCXVMBU-UHFFFAOYSA-N 0 0 273.307 3.078 20 10 CGCDRN CC1(c2ccccc2C(=O)NCc2cc(O)ccc2O)CC1 ZINC001558175331 938213918 /nfs/dbraw/zinc/21/39/18/938213918.db2.gz MCIMTWQZJMFICJ-UHFFFAOYSA-N 0 0 297.354 3.079 20 10 CGCDRN O=C(NCc1cc(O)ccc1O)[C@H](F)CC1CCCCC1 ZINC001558175531 938214012 /nfs/dbraw/zinc/21/40/12/938214012.db2.gz URQDHNGSRJMCRC-CQSZACIVSA-N 0 0 295.354 3.023 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC001560616295 938265733 /nfs/dbraw/zinc/26/57/33/938265733.db2.gz XNIVDXIDKPSFSX-UHFFFAOYSA-N 0 0 287.750 3.212 20 10 CGCDRN CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001560635994 938267786 /nfs/dbraw/zinc/26/77/86/938267786.db2.gz SMTVATZTWDCHKP-QWHCGFSZSA-N 0 0 299.361 3.306 20 10 CGCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2c([O-])cccc2F)C1 ZINC001561015575 938289688 /nfs/dbraw/zinc/28/96/88/938289688.db2.gz AGYZKQPMJFCBNC-NWDGAFQWSA-N 0 0 251.345 3.447 20 10 CGCDRN C[C@H](NC(=O)NCc1ccsc1)c1ccccc1O ZINC001563420890 938302516 /nfs/dbraw/zinc/30/25/16/938302516.db2.gz JWHDCKPFLCLJKV-JTQLQIEISA-N 0 0 276.361 3.014 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001603106676 972179877 /nfs/dbraw/zinc/17/98/77/972179877.db2.gz BRFJSVUYTQIWRW-DOMZBBRYSA-N 0 0 291.391 3.058 20 10 CGCDRN Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)co1 ZINC001117547160 958822881 /nfs/dbraw/zinc/82/28/81/958822881.db2.gz GMIMZUREBHIQOQ-UHFFFAOYSA-N 0 0 277.667 3.030 20 10 CGCDRN Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001570531903 961993417 /nfs/dbraw/zinc/99/34/17/961993417.db2.gz SCTNRBBOQJQLFS-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N)cc2)[C@H]1C ZINC001576680061 962482313 /nfs/dbraw/zinc/48/23/13/962482313.db2.gz YCTGVKSUNLWXLD-IPYPFGDCSA-N 0 0 289.423 3.140 20 10 CGCDRN CCc1ccc(NC(=O)NCc2ccc(N)cc2)cc1OC ZINC001578262571 962584565 /nfs/dbraw/zinc/58/45/65/962584565.db2.gz UTJXYPQIEVNCFC-UHFFFAOYSA-N 0 0 299.374 3.162 20 10 CGCDRN CSc1ccccc1OC(=O)Cc1ccc(N)cc1 ZINC001579391359 962623373 /nfs/dbraw/zinc/62/33/73/962623373.db2.gz DKUPNHIVFDIEAW-UHFFFAOYSA-N 0 0 273.357 3.139 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc3occc3s2)c1 ZINC001584983056 962972500 /nfs/dbraw/zinc/97/25/00/962972500.db2.gz AUYQZLTWHAZVSX-UHFFFAOYSA-N 0 0 287.340 3.438 20 10 CGCDRN CC1(C)CCC(C)(NC(=O)c2cccc(O)c2O)CC1 ZINC001587349042 963186822 /nfs/dbraw/zinc/18/68/22/963186822.db2.gz CFWBAIKJVUMBFH-UHFFFAOYSA-N 0 0 277.364 3.187 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])cc1C ZINC001589681076 964015648 /nfs/dbraw/zinc/01/56/48/964015648.db2.gz HZWYLWNMCQXGMV-CABCVRRESA-N 0 0 291.391 3.127 20 10 CGCDRN CCc1cccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1O ZINC001603975393 974466910 /nfs/dbraw/zinc/46/69/10/974466910.db2.gz XBDPQNMQHXYHKF-OAHLLOKOSA-N 0 0 291.391 3.174 20 10 CGCDRN CC(C)c1ccc(O)c(C[NH2+]CC2(C(=O)[O-])CCCC2)c1 ZINC001591974136 976584512 /nfs/dbraw/zinc/58/45/12/976584512.db2.gz OJJKVUWHLYLKJH-UHFFFAOYSA-N 0 0 291.391 3.250 20 10 CGCDRN C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 ZINC001592446417 978125253 /nfs/dbraw/zinc/12/52/53/978125253.db2.gz XWIMPQWNLMHAMS-ZDUSSCGKSA-N 0 0 292.423 3.122 20 10 CGCDRN CC/C=C/CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001595513698 981307307 /nfs/dbraw/zinc/30/73/07/981307307.db2.gz FFNOMZLQOGUBLP-ONEGZZNKSA-N 0 0 297.782 3.289 20 10 CGCDRN CC[C@](C)(C(=O)[O-])[N@@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC001594787546 981822467 /nfs/dbraw/zinc/82/24/67/981822467.db2.gz HONLLQSCSIZXFD-QGZVFWFLSA-N 0 0 291.391 3.166 20 10 CGCDRN CC(C)[N@H+](CCCCC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591589553 992798821 /nfs/dbraw/zinc/79/88/21/992798821.db2.gz OVJDUXSVSAIOTA-UHFFFAOYSA-N 0 0 292.423 3.218 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593222105 994331253 /nfs/dbraw/zinc/33/12/53/994331253.db2.gz HDPSMYRPPIONOL-GXSJLCMTSA-N 0 0 299.317 3.319 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293984197 346432026 /nfs/dbraw/zinc/43/20/26/346432026.db2.gz LFEJEGANRWRECA-LLVKDONJSA-N 0 0 290.190 3.046 20 10 CGCDRN CC(C)COCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124674962 370925516 /nfs/dbraw/zinc/92/55/16/370925516.db2.gz UJIKCQGSQLGRPB-UHFFFAOYSA-N 0 0 271.788 3.198 20 10 CGCDRN CC[C@H](SC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000125118555 370930626 /nfs/dbraw/zinc/93/06/26/370930626.db2.gz RWZPVPHGPQDXTJ-HNNXBMFYSA-N 0 0 293.432 3.029 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)CSC ZINC000113422546 370474592 /nfs/dbraw/zinc/47/45/92/370474592.db2.gz RPLFOTFNRUXZLE-GFCCVEGCSA-N 0 0 281.421 3.130 20 10 CGCDRN C[C@@H](N[C@H](C)C(F)(F)F)c1cc(F)ccc1O ZINC000287363273 371645011 /nfs/dbraw/zinc/64/50/11/371645011.db2.gz OGACGYSUWBUWPO-RNFRBKRXSA-N 0 0 251.223 3.133 20 10 CGCDRN CC[C@H]([NH2+]CCc1nc(C)no1)c1cccc(Cl)c1[O-] ZINC000287773167 371704518 /nfs/dbraw/zinc/70/45/18/371704518.db2.gz RQLURLOZXXUNFV-LBPRGKRZSA-N 0 0 295.770 3.020 20 10 CGCDRN Oc1cccc(Cl)c1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000288482415 371740050 /nfs/dbraw/zinc/74/00/50/371740050.db2.gz GPSXQMKKTJPWAB-LLVKDONJSA-N 0 0 289.762 3.311 20 10 CGCDRN Cc1cc(O)c(CNCc2nccc(C(F)F)n2)cc1C ZINC000288367696 371735344 /nfs/dbraw/zinc/73/53/44/371735344.db2.gz DSZKZVKGJIALER-UHFFFAOYSA-N 0 0 293.317 3.026 20 10 CGCDRN CC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000293990914 372547432 /nfs/dbraw/zinc/54/74/32/372547432.db2.gz LOZCDMLHJQDWEV-AWEZNQCLSA-N 0 0 283.375 3.114 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000168864397 372621103 /nfs/dbraw/zinc/62/11/03/372621103.db2.gz RTXWIJMGWFSOGV-NWDGAFQWSA-N 0 0 253.411 3.493 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000294302363 372644707 /nfs/dbraw/zinc/64/47/07/372644707.db2.gz VGEKQWYAWNTLSL-CORIIIEPSA-N 0 0 263.381 3.030 20 10 CGCDRN CN(C)c1ccc(CNCc2cc(F)cnc2Cl)cc1 ZINC000295168182 372696815 /nfs/dbraw/zinc/69/68/15/372696815.db2.gz TXSZWQXZSGLODT-UHFFFAOYSA-N 0 0 293.773 3.230 20 10 CGCDRN C[C@@H](CCCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000294917884 372678166 /nfs/dbraw/zinc/67/81/66/372678166.db2.gz YNSJGXJOIKWNJH-VIFPVBQESA-N 0 0 292.206 3.197 20 10 CGCDRN Cc1cccnc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000295034481 372688586 /nfs/dbraw/zinc/68/85/86/372688586.db2.gz OFEXMMLGNFKJER-UHFFFAOYSA-N 0 0 276.767 3.081 20 10 CGCDRN c1cnn(CCCCCSc2nccs2)c1 ZINC000171117928 372715190 /nfs/dbraw/zinc/71/51/90/372715190.db2.gz VDEXNSRRFFLZEZ-UHFFFAOYSA-N 0 0 253.396 3.302 20 10 CGCDRN C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295807382 372917333 /nfs/dbraw/zinc/91/73/33/372917333.db2.gz CLTYDFHULFAOOC-ZBFHGGJFSA-N 0 0 288.435 3.234 20 10 CGCDRN Fc1cccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000439608579 372978969 /nfs/dbraw/zinc/97/89/69/372978969.db2.gz XZNXMWVIKAOKMM-UHFFFAOYSA-N 0 0 294.333 3.391 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000296384275 373113924 /nfs/dbraw/zinc/11/39/24/373113924.db2.gz JTDOWPGSXYJEEW-GXTWGEPZSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2ccc(F)cc2O1 ZINC000173517604 373151829 /nfs/dbraw/zinc/15/18/29/373151829.db2.gz FWDBZCBRFKZDGF-NTYUQYKDSA-N 0 0 298.317 3.048 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000297161714 373259146 /nfs/dbraw/zinc/25/91/46/373259146.db2.gz JULXSPAWIFJUHU-UONOGXRCSA-N 0 0 286.400 3.059 20 10 CGCDRN Oc1cc(OCc2ccccc2)ccc1CNCC(F)F ZINC000298156875 373291728 /nfs/dbraw/zinc/29/17/28/373291728.db2.gz SAWSZMIMCPXLMP-UHFFFAOYSA-N 0 0 293.313 3.326 20 10 CGCDRN CCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298418902 373322693 /nfs/dbraw/zinc/32/26/93/373322693.db2.gz YWQDXHQJDBYVGL-UHFFFAOYSA-N 0 0 260.381 3.044 20 10 CGCDRN CC(C)(C)c1cnc(SCC(=O)NCC2CC2)s1 ZINC000177129151 373656636 /nfs/dbraw/zinc/65/66/36/373656636.db2.gz SIDQAEOZGNGFIV-UHFFFAOYSA-N 0 0 284.450 3.059 20 10 CGCDRN Cc1cccc(N(C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000302600579 373903927 /nfs/dbraw/zinc/90/39/27/373903927.db2.gz CCELXOTYASSIRJ-UHFFFAOYSA-N 0 0 272.304 3.245 20 10 CGCDRN Cc1nsc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302428058 373865824 /nfs/dbraw/zinc/86/58/24/373865824.db2.gz PARBRLINNBHYHQ-SECBINFHSA-N 0 0 262.382 3.086 20 10 CGCDRN COc1cccc(CNC(=O)C2C[C@H](C)C[C@H](C)C2)c1O ZINC000183611409 374432333 /nfs/dbraw/zinc/43/23/33/374432333.db2.gz IWPNLMLOLQPUQU-ONXXMXGDSA-N 0 0 291.391 3.089 20 10 CGCDRN CCCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471232758 375003334 /nfs/dbraw/zinc/00/33/34/375003334.db2.gz CEYWGQGILSUOSD-UHFFFAOYSA-N 0 0 258.365 3.293 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2C=CCCC2)cc1 ZINC000187521040 375034324 /nfs/dbraw/zinc/03/43/24/375034324.db2.gz VQNXALOSVZTSSL-OAHLLOKOSA-N 0 0 286.419 3.457 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187746004 375085798 /nfs/dbraw/zinc/08/57/98/375085798.db2.gz RQSONLMPEMAUGV-HICWGWBUSA-N 0 0 299.361 3.262 20 10 CGCDRN CC(C)C(C)(C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000475943094 375136647 /nfs/dbraw/zinc/13/66/47/375136647.db2.gz VLTHIEJXKZDHDW-UHFFFAOYSA-N 0 0 290.407 3.160 20 10 CGCDRN CCc1ccccc1CC(=O)N(C)Cc1ccccc1O ZINC000188323188 375197143 /nfs/dbraw/zinc/19/71/43/375197143.db2.gz VZLDODDBPFYXLG-UHFFFAOYSA-N 0 0 283.371 3.156 20 10 CGCDRN C/C=C/C=C/C(=O)NCc1c(C)c2ccccc2n1C ZINC000492743382 375452547 /nfs/dbraw/zinc/45/25/47/375452547.db2.gz YFUYDWMOUYHLFR-LJIKRCSCSA-N 0 0 268.360 3.235 20 10 CGCDRN Cn1cncc1CSc1ncc(C(C)(C)C)s1 ZINC000268357118 378054041 /nfs/dbraw/zinc/05/40/41/378054041.db2.gz WBNKZMMIGCNYJA-UHFFFAOYSA-N 0 0 267.423 3.466 20 10 CGCDRN C[C@@H](OC1CCCCCC1)C(=O)NCc1ccccc1O ZINC000268671997 378089673 /nfs/dbraw/zinc/08/96/73/378089673.db2.gz NOEJMIWZRSMAAE-CYBMUJFWSA-N 0 0 291.391 3.136 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncccc1[N+](=O)[O-] ZINC000269384168 378214718 /nfs/dbraw/zinc/21/47/18/378214718.db2.gz TUJSBVUIYAXLTB-UHFFFAOYSA-N 0 0 287.319 3.112 20 10 CGCDRN CCCOc1cccc(CC(=O)NCc2ccccc2O)c1 ZINC000269506710 378229901 /nfs/dbraw/zinc/22/99/01/378229901.db2.gz GXIKJAHUSYJGFK-UHFFFAOYSA-N 0 0 299.370 3.040 20 10 CGCDRN Cc1ccc(C[C@@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000272396491 378628309 /nfs/dbraw/zinc/62/83/09/378628309.db2.gz YKKAGDNQSYSXDA-CQSZACIVSA-N 0 0 283.371 3.196 20 10 CGCDRN C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000272240536 378592632 /nfs/dbraw/zinc/59/26/32/378592632.db2.gz GMRXMTNWFZFHDS-NSHDSACASA-N 0 0 275.323 3.430 20 10 CGCDRN CCCO[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000272246352 378593991 /nfs/dbraw/zinc/59/39/91/378593991.db2.gz HMDPSHDUWCOOAV-AWEZNQCLSA-N 0 0 281.371 3.312 20 10 CGCDRN CC(C)c1noc(NCc2c(O)cccc2Cl)n1 ZINC000272245581 378594622 /nfs/dbraw/zinc/59/46/22/378594622.db2.gz OEWQBHPUJUDJQM-UHFFFAOYSA-N 0 0 267.716 3.164 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2cccc(F)c2[O-])c1 ZINC000272254984 378597684 /nfs/dbraw/zinc/59/76/84/378597684.db2.gz IYCIRVQTRAQYGO-UHFFFAOYSA-N 0 0 275.323 3.172 20 10 CGCDRN Cc1ccc(C(=O)N2CC=C(C(C)(C)C)CC2)c(O)c1O ZINC000273031154 378735716 /nfs/dbraw/zinc/73/57/16/378735716.db2.gz SXDQXJQXXWZJRZ-UHFFFAOYSA-N 0 0 289.375 3.225 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)c(O)c1C ZINC000273390267 378743119 /nfs/dbraw/zinc/74/31/19/378743119.db2.gz KKTOMMKUAFIGRY-KGLIPLIRSA-N 0 0 263.381 3.229 20 10 CGCDRN CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000273459235 378747572 /nfs/dbraw/zinc/74/75/72/378747572.db2.gz HSHYXEIULNGATC-RBOXIYTFSA-N 0 0 281.371 3.386 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375321327 379490708 /nfs/dbraw/zinc/49/07/08/379490708.db2.gz PRHHDXQJFMLFSD-JSGCOSHPSA-N 0 0 299.773 3.328 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375321324 379491713 /nfs/dbraw/zinc/49/17/13/379491713.db2.gz PRHHDXQJFMLFSD-GXTWGEPZSA-N 0 0 299.773 3.328 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285302100 380145034 /nfs/dbraw/zinc/14/50/34/380145034.db2.gz VYZHVDDAMHCHFE-KBPBESRZSA-N 0 0 281.783 3.189 20 10 CGCDRN CC[C@H]([NH2+]CCCn1ccnc1C)c1ccc(F)cc1[O-] ZINC000286370939 380203495 /nfs/dbraw/zinc/20/34/95/380203495.db2.gz ZOQBLQSDJBVVRU-HNNXBMFYSA-N 0 0 291.370 3.167 20 10 CGCDRN Cc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000365927015 382300050 /nfs/dbraw/zinc/30/00/50/382300050.db2.gz HMMCNLNGQJLNSY-CQSZACIVSA-N 0 0 297.354 3.036 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1cccc(Cl)c1[O-] ZINC000287000903 392392358 /nfs/dbraw/zinc/39/23/58/392392358.db2.gz KCYFYQSVSOIXQS-GXFFZTMASA-N 0 0 270.804 3.036 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)on2)cc1Cl ZINC000121875424 392415884 /nfs/dbraw/zinc/41/58/84/392415884.db2.gz LRWLOEUAYGKCSS-UHFFFAOYSA-N 0 0 266.728 3.281 20 10 CGCDRN CCC[C@H](C(=O)NCc1cccc(OC)c1O)C(C)C ZINC000131478307 392457121 /nfs/dbraw/zinc/45/71/21/392457121.db2.gz FEDIFASYBGVYMI-ZDUSSCGKSA-N 0 0 279.380 3.089 20 10 CGCDRN Cc1nc2c(c(NCc3ccc(N(C)C)cc3)n1)CCCC2 ZINC000301574148 392595508 /nfs/dbraw/zinc/59/55/08/392595508.db2.gz PJAJDAACCSEOIV-UHFFFAOYSA-N 0 0 296.418 3.342 20 10 CGCDRN Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179316373 392696453 /nfs/dbraw/zinc/69/64/53/392696453.db2.gz DGJVXYBWZTZPOS-UHFFFAOYSA-N 0 0 286.331 3.241 20 10 CGCDRN Cc1nc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000348667458 393127618 /nfs/dbraw/zinc/12/76/18/393127618.db2.gz PVOCTTCALGZWKW-UHFFFAOYSA-N 0 0 297.358 3.022 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC12CC2 ZINC000416723554 393336135 /nfs/dbraw/zinc/33/61/35/393336135.db2.gz VYAAXPNTHQTXBJ-ZDUSSCGKSA-N 0 0 297.402 3.086 20 10 CGCDRN CCOC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000276547948 286170006 /nfs/dbraw/zinc/17/00/06/286170006.db2.gz FAEAYETYWRIHBL-RISCZKNCSA-N 0 0 296.367 3.012 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cocn1 ZINC000291699284 286389008 /nfs/dbraw/zinc/38/90/08/286389008.db2.gz YWBCDVVXIKZYBR-UHFFFAOYSA-N 0 0 258.321 3.026 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000294780835 287061334 /nfs/dbraw/zinc/06/13/34/287061334.db2.gz GTYBBNBAARZICS-OCCSQVGLSA-N 0 0 261.365 3.177 20 10 CGCDRN Cc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000348634632 226503563 /nfs/dbraw/zinc/50/35/63/226503563.db2.gz JXRFOHSVVHGJSB-UHFFFAOYSA-N 0 0 282.343 3.318 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccnc(C2CC2)n1 ZINC000115521831 228056499 /nfs/dbraw/zinc/05/64/99/228056499.db2.gz CYWNGDJPMCRNMM-UHFFFAOYSA-N 0 0 282.391 3.341 20 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ZINC000890759377 617815370 /nfs/dbraw/zinc/81/53/70/617815370.db2.gz AHZBJZCTJZXKLS-MNOVXSKESA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@H](C(=O)NCc1cccc(Cl)c1O)C1CCC1 ZINC000890760992 617816880 /nfs/dbraw/zinc/81/68/80/617816880.db2.gz HRGJMKMLOMITBG-VIFPVBQESA-N 0 0 267.756 3.098 20 10 CGCDRN CC/C=C(\C)C(=O)NCc1cc(Br)ccc1O ZINC000804736868 617826992 /nfs/dbraw/zinc/82/69/92/617826992.db2.gz CHVWJJFOIOKUKN-RUDMXATFSA-N 0 0 298.180 3.127 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2CC2)cc1 ZINC000047089299 618041286 /nfs/dbraw/zinc/04/12/86/618041286.db2.gz IUYCNSKAEAIGDS-UHFFFAOYSA-N 0 0 268.360 3.329 20 10 CGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(C)s2)c1 ZINC000175852833 618109863 /nfs/dbraw/zinc/10/98/63/618109863.db2.gz BKHMDXWAYCKWNN-UHFFFAOYSA-N 0 0 292.360 3.092 20 10 CGCDRN Cc1cscc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176268104 618446342 /nfs/dbraw/zinc/44/63/42/618446342.db2.gz JOMJISLNZLYELY-UHFFFAOYSA-N 0 0 292.379 3.192 20 10 CGCDRN C[C@H](CN(C)C(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000892038723 618500078 /nfs/dbraw/zinc/50/00/78/618500078.db2.gz IKJYKZRHSVXILS-CYBMUJFWSA-N 0 0 291.439 3.135 20 10 CGCDRN COc1ccc(CNc2cc(F)ccc2C)c(O)c1OC ZINC000892314453 618672777 /nfs/dbraw/zinc/67/27/77/618672777.db2.gz WUAJFZXKBBISJN-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000184969520 625284495 /nfs/dbraw/zinc/28/44/95/625284495.db2.gz KFWVTRSKRZNXAE-GFCCVEGCSA-N 0 0 299.349 3.072 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCCC1 ZINC000052851245 618737109 /nfs/dbraw/zinc/73/71/09/618737109.db2.gz JTECBRFBRIYNFQ-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN C[C@H]1CCC[C@H](C)C1NC(=O)N(C)Cc1ccccc1O ZINC000177176413 618806824 /nfs/dbraw/zinc/80/68/24/618806824.db2.gz ZJJITAVQFLQMOD-STQMWFEESA-N 0 0 290.407 3.358 20 10 CGCDRN CC(C)COc1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000066153892 618832457 /nfs/dbraw/zinc/83/24/57/618832457.db2.gz VUUVXHPLSMAGTC-UHFFFAOYSA-N 0 0 298.386 3.485 20 10 CGCDRN Cc1cc(NCc2c(O)cc(C)cc2Cl)no1 ZINC000840881455 618859388 /nfs/dbraw/zinc/85/93/88/618859388.db2.gz ZRNZHSITIAGRPA-UHFFFAOYSA-N 0 0 252.701 3.263 20 10 CGCDRN Cc1cccc(CNc2ccc3c(c2)COC3)c1O ZINC000311601405 618913189 /nfs/dbraw/zinc/91/31/89/618913189.db2.gz BCUIDPNRQSQZLS-UHFFFAOYSA-N 0 0 255.317 3.343 20 10 CGCDRN Cc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000020092903 618975500 /nfs/dbraw/zinc/97/55/00/618975500.db2.gz YOAUOZBSZVPHDD-UHFFFAOYSA-N 0 0 282.387 3.444 20 10 CGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000180413342 619015256 /nfs/dbraw/zinc/01/52/56/619015256.db2.gz BSXVQXIMMPSGRG-UHFFFAOYSA-N 0 0 282.387 3.160 20 10 CGCDRN Cc1cc(NCc2c(O)cc(C)cc2Cl)nn1C ZINC000840907686 619113821 /nfs/dbraw/zinc/11/38/21/619113821.db2.gz PIRCTMPPJDBSLG-UHFFFAOYSA-N 0 0 265.744 3.008 20 10 CGCDRN O=[N+]([O-])c1cnc(Sc2cccc(F)c2)s1 ZINC000192482344 619118896 /nfs/dbraw/zinc/11/88/96/619118896.db2.gz FMOPDXFQOUEGPK-UHFFFAOYSA-N 0 0 256.283 3.342 20 10 CGCDRN C[C@H](O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000192813774 619122526 /nfs/dbraw/zinc/12/25/26/619122526.db2.gz RQRJJKVNPBVXFT-AWEZNQCLSA-N 0 0 271.360 3.083 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(F)cc2C)cc1OC ZINC000893574521 619227154 /nfs/dbraw/zinc/22/71/54/619227154.db2.gz ZRSVULGYZVOUHN-UHFFFAOYSA-N 0 0 290.338 3.183 20 10 CGCDRN O=[N+]([O-])c1ccc(OCCSc2nccs2)cc1 ZINC000067007067 619282410 /nfs/dbraw/zinc/28/24/10/619282410.db2.gz CGECTSTWEHOWEB-UHFFFAOYSA-N 0 0 282.346 3.222 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000893867028 619324434 /nfs/dbraw/zinc/32/44/34/619324434.db2.gz SOGNZPOHFQEUGP-CQSZACIVSA-N 0 0 278.302 3.336 20 10 CGCDRN COc1cc(C)cc(CNc2cnn(C(C)(C)C)c2)c1O ZINC000894364565 619506424 /nfs/dbraw/zinc/50/64/24/619506424.db2.gz OZKQTPGKANZJEM-UHFFFAOYSA-N 0 0 289.379 3.273 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793217685 619705879 /nfs/dbraw/zinc/70/58/79/619705879.db2.gz MZWKJFNEECAOEG-CQSZACIVSA-N 0 0 287.762 3.186 20 10 CGCDRN CCOC(=O)c1cnc(SCc2ccco2)s1 ZINC000310429573 619709410 /nfs/dbraw/zinc/70/94/10/619709410.db2.gz MVKRSLFLDAPQMJ-UHFFFAOYSA-N 0 0 269.347 3.205 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895581362 619856234 /nfs/dbraw/zinc/85/62/34/619856234.db2.gz NYWYLMRSDMQRMU-LLVKDONJSA-N 0 0 294.807 3.492 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895581365 619856310 /nfs/dbraw/zinc/85/63/10/619856310.db2.gz NYWYLMRSDMQRMU-NSHDSACASA-N 0 0 294.807 3.492 20 10 CGCDRN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(F)F ZINC000883406786 620001247 /nfs/dbraw/zinc/00/12/47/620001247.db2.gz ATFOZCGWCUDJSM-DOGVGXBMSA-N 0 0 254.324 3.009 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000896637323 620041435 /nfs/dbraw/zinc/04/14/35/620041435.db2.gz DOOOTZHEXHXWBY-UHFFFAOYSA-N 0 0 287.334 3.146 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)C2=CC(=O)CS2)[C@@H]1C ZINC000796454431 620099014 /nfs/dbraw/zinc/09/90/14/620099014.db2.gz KLVLHPPRKNKORK-GMTAPVOTSA-N 0 0 267.394 3.256 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCCO1 ZINC000896924640 620103215 /nfs/dbraw/zinc/10/32/15/620103215.db2.gz OEBYXSRFSHUJQG-AWEZNQCLSA-N 0 0 269.772 3.094 20 10 CGCDRN CC1(C)C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C(C)(C)O1 ZINC000897225346 620165001 /nfs/dbraw/zinc/16/50/01/620165001.db2.gz KQJHPJJHGKZNER-NSHDSACASA-N 0 0 299.361 3.354 20 10 CGCDRN CC(C)(CC(=O)NCc1c(O)cccc1F)CC(F)F ZINC000928711626 620208647 /nfs/dbraw/zinc/20/86/47/620208647.db2.gz UJVHLDPAOHDTHL-UHFFFAOYSA-N 0 0 289.297 3.219 20 10 CGCDRN CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000185679306 625413174 /nfs/dbraw/zinc/41/31/74/625413174.db2.gz KUIYJUWLYJFAGH-CZUORRHYSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841747475 620353346 /nfs/dbraw/zinc/35/33/46/620353346.db2.gz BMEXPNLQSDGFMK-IAQYHMDHSA-N 0 0 297.826 3.493 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCOC1 ZINC000841756398 620403117 /nfs/dbraw/zinc/40/31/17/620403117.db2.gz XPHAFQKCGKKNJJ-VWYCJHECSA-N 0 0 269.772 3.121 20 10 CGCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000897969500 620459047 /nfs/dbraw/zinc/45/90/47/620459047.db2.gz LCSIRUNLVXGDCK-LLVKDONJSA-N 0 0 276.767 3.161 20 10 CGCDRN CC(C)Cn1nccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898215328 620488795 /nfs/dbraw/zinc/48/87/95/620488795.db2.gz LINXUOSWLWYJGS-UHFFFAOYSA-N 0 0 293.798 3.188 20 10 CGCDRN COCCCOc1cccc(CNc2ccc(N)cc2)c1 ZINC000841040633 620519105 /nfs/dbraw/zinc/51/91/05/620519105.db2.gz VZQMPUPXDHATSG-UHFFFAOYSA-N 0 0 286.375 3.296 20 10 CGCDRN COC(=O)c1cnc(SCc2cc(C)cc(C)n2)s1 ZINC000901570088 620942559 /nfs/dbraw/zinc/94/25/59/620942559.db2.gz HJJJACAVPHGPAZ-UHFFFAOYSA-N 0 0 294.401 3.234 20 10 CGCDRN COc1cc(COc2ccc(N3CCCC3)cc2)sn1 ZINC000902283571 621225483 /nfs/dbraw/zinc/22/54/83/621225483.db2.gz NPQZVIHWJROADF-UHFFFAOYSA-N 0 0 290.388 3.331 20 10 CGCDRN C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(F)cc1[O-] ZINC000903280144 621660597 /nfs/dbraw/zinc/66/05/97/621660597.db2.gz BCRBCDICRWNSBZ-WIZUOIALSA-N 0 0 279.355 3.140 20 10 CGCDRN COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000903330130 621704335 /nfs/dbraw/zinc/70/43/35/621704335.db2.gz HRMVESRCHRCLEN-DTWKUNHWSA-N 0 0 273.323 3.135 20 10 CGCDRN CN(C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC000903771794 621803817 /nfs/dbraw/zinc/80/38/17/621803817.db2.gz YVIXTBHNLBYCFU-OLZOCXBDSA-N 0 0 288.313 3.205 20 10 CGCDRN OC1CCN(c2ccc(/C=C/c3nccs3)cc2)CC1 ZINC000905074753 622036979 /nfs/dbraw/zinc/03/69/79/622036979.db2.gz YABHXWRTIRLHQE-ZZXKWVIFSA-N 0 0 286.400 3.275 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCC=CCCC2)c1 ZINC000907062048 622280000 /nfs/dbraw/zinc/28/00/00/622280000.db2.gz ZYVVJOZGIFORNY-ZDUSSCGKSA-N 0 0 289.375 3.154 20 10 CGCDRN CC1(c2ccccc2C(=O)NCCc2ccc(N)cc2)CC1 ZINC000911783204 622550117 /nfs/dbraw/zinc/55/01/17/622550117.db2.gz QVLGUNGJKQSEGE-UHFFFAOYSA-N 0 0 294.398 3.293 20 10 CGCDRN CCOc1ccc(N(C)Cc2nc(CC(C)C)no2)cc1 ZINC000150731195 622658644 /nfs/dbraw/zinc/65/86/44/622658644.db2.gz SWHUFAALVGEGIJ-UHFFFAOYSA-N 0 0 289.379 3.303 20 10 CGCDRN CCCc1nc(CN(C)c2ccc(OCC)cc2)no1 ZINC000150731742 622658709 /nfs/dbraw/zinc/65/87/09/622658709.db2.gz KEZXKZPXXGIGGU-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(N(C)C)cn2)cc1C ZINC000150906001 622694118 /nfs/dbraw/zinc/69/41/18/622694118.db2.gz VLCBZVCWUKDDOD-UHFFFAOYSA-N 0 0 271.364 3.082 20 10 CGCDRN Oc1c(F)cccc1CNc1cccc(-n2cccn2)c1 ZINC000165005890 622853607 /nfs/dbraw/zinc/85/36/07/622853607.db2.gz BZGFKBBWITUGRB-UHFFFAOYSA-N 0 0 283.306 3.329 20 10 CGCDRN CCN(CC)c1ccc(CNc2nnc3ccccn32)cc1 ZINC000157176321 622875278 /nfs/dbraw/zinc/87/52/78/622875278.db2.gz BVFSDBAMUYNYOP-UHFFFAOYSA-N 0 0 295.390 3.188 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000166374281 622883951 /nfs/dbraw/zinc/88/39/51/622883951.db2.gz SUVFKOBIQAHJDF-UHFFFAOYSA-N 0 0 271.335 3.480 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(Br)nc2)c1 ZINC000225945890 622936655 /nfs/dbraw/zinc/93/66/55/622936655.db2.gz ZAYNXIWNQVARNB-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CC1(C)C[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000226254822 622955269 /nfs/dbraw/zinc/95/52/69/622955269.db2.gz KARYMNBKOOMNDT-SNVBAGLBSA-N 0 0 284.197 3.290 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(F)cc1[O-] ZINC000157986972 622990254 /nfs/dbraw/zinc/99/02/54/622990254.db2.gz QUMPBTJRGPITEU-JQWIXIFHSA-N 0 0 269.385 3.468 20 10 CGCDRN Oc1ccc(F)cc1CN1CCCc2ccccc21 ZINC000227515156 623021556 /nfs/dbraw/zinc/02/15/56/623021556.db2.gz CCTKISNCBVVZLP-UHFFFAOYSA-N 0 0 257.308 3.484 20 10 CGCDRN COc1cc(Cl)cc(C[NH2+]Cc2ccccc2O)c1O ZINC000169085922 623024970 /nfs/dbraw/zinc/02/49/70/623024970.db2.gz CEGKQJUKNLCETO-UHFFFAOYSA-N 0 0 293.750 3.050 20 10 CGCDRN CC(C)CCOCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748375 623268775 /nfs/dbraw/zinc/26/87/75/623268775.db2.gz HPFHJVCBFOVGBP-LBPRGKRZSA-N 0 0 269.360 3.245 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2F)cc1OC ZINC000063616878 623342248 /nfs/dbraw/zinc/34/22/48/623342248.db2.gz CHYKXDXJLUSVQI-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN CC(=O)C(=O)COc1ccc(Cl)c2ccccc12 ZINC000808013023 623455152 /nfs/dbraw/zinc/45/51/52/623455152.db2.gz WMIZZWIMJWBOTK-UHFFFAOYSA-N 0 0 262.692 3.030 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(C1CC1)C1CC1 ZINC000151726579 623562063 /nfs/dbraw/zinc/56/20/63/623562063.db2.gz NZVSAUROPCWHRK-UHFFFAOYSA-N 0 0 299.414 3.323 20 10 CGCDRN C[C@@H](C1CC1)N(C)C(=O)NCCCSc1nccs1 ZINC000154633312 624331761 /nfs/dbraw/zinc/33/17/61/624331761.db2.gz HEABRDMHUYSTTI-JTQLQIEISA-N 0 0 299.465 3.065 20 10 CGCDRN CCN(C(=O)NCCCSc1nccs1)C(C)C ZINC000154669667 624342779 /nfs/dbraw/zinc/34/27/79/624342779.db2.gz QYAHQXVRZBZICG-UHFFFAOYSA-N 0 0 287.454 3.065 20 10 CGCDRN COCC[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)C ZINC000124544067 634387522 /nfs/dbraw/zinc/38/75/22/634387522.db2.gz IJJUOXMAAGBERT-UHFFFAOYSA-N 0 0 271.788 3.150 20 10 CGCDRN O=C(OCSc1nccs1)c1ccccc1 ZINC000175253081 624623208 /nfs/dbraw/zinc/62/32/08/624623208.db2.gz IKAJHTFICLEZKJ-UHFFFAOYSA-N 0 0 251.332 3.050 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)C2CC2)cc1F ZINC000175322523 624629770 /nfs/dbraw/zinc/62/97/70/624629770.db2.gz NSUOLZSEORBVOR-GFCCVEGCSA-N 0 0 292.398 3.334 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(C1CC1)C1CCCC1 ZINC000180752899 624769480 /nfs/dbraw/zinc/76/94/80/624769480.db2.gz QJDXJBPAVMLJKS-UXBLZVDNSA-N 0 0 287.359 3.045 20 10 CGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000181118797 624809969 /nfs/dbraw/zinc/80/99/69/624809969.db2.gz RGZJZEYQXOQQHQ-OANVXVOSSA-N 0 0 289.375 3.196 20 10 CGCDRN CC(C)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181128324 624811453 /nfs/dbraw/zinc/81/14/53/624811453.db2.gz WSFRNFSIFOEQDE-GQCTYLIASA-N 0 0 289.375 3.006 20 10 CGCDRN CCc1nnc(CSc2ncc(C(C)(C)C)s2)[nH]1 ZINC000181768902 624894299 /nfs/dbraw/zinc/89/42/99/624894299.db2.gz JLSYDDDTLMLLNC-UHFFFAOYSA-N 0 0 282.438 3.413 20 10 CGCDRN COc1cc(O)c(CN2CCc3cccc(C)c32)cc1OC ZINC000182139263 624947055 /nfs/dbraw/zinc/94/70/55/624947055.db2.gz UFBODLPXTKOLQR-UHFFFAOYSA-N 0 0 299.370 3.281 20 10 CGCDRN Cc1ccnc(CNC(=S)Nc2ccc(C)c(C)c2)c1 ZINC000243227814 624993613 /nfs/dbraw/zinc/99/36/13/624993613.db2.gz KLEAPQOTHXHNQN-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)c(O)c1O ZINC000182494694 625005483 /nfs/dbraw/zinc/00/54/83/625005483.db2.gz SROQZBSZTCUTEW-UHFFFAOYSA-N 0 0 297.232 3.076 20 10 CGCDRN CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773086529 625856669 /nfs/dbraw/zinc/85/66/69/625856669.db2.gz CKAIKZJQHROEEU-CYBMUJFWSA-N 0 0 277.412 3.254 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000922833530 626052702 /nfs/dbraw/zinc/05/27/02/626052702.db2.gz IYRAXVCJCVSURD-KWQFWETISA-N 0 0 273.348 3.044 20 10 CGCDRN Cc1cc2cc(NC(=O)c3cccc(O)c3O)ccc2[nH]1 ZINC000186902890 626079622 /nfs/dbraw/zinc/07/96/22/626079622.db2.gz PSQNTOYUKKFOJF-UHFFFAOYSA-N 0 0 282.299 3.140 20 10 CGCDRN C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756418118 626083863 /nfs/dbraw/zinc/08/38/63/626083863.db2.gz PUJNTKIIVYPXJT-RYUDHWBXSA-N 0 0 298.377 3.195 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923029894 626124051 /nfs/dbraw/zinc/12/40/51/626124051.db2.gz LMEGJUNTDCTNPG-CYBMUJFWSA-N 0 0 299.773 3.376 20 10 CGCDRN COc1ccc(N[C@H](C)c2ccc(C)cc2O)cn1 ZINC000020085279 634480556 /nfs/dbraw/zinc/48/05/56/634480556.db2.gz INZDEDYFMVSXFO-LLVKDONJSA-N 0 0 258.321 3.277 20 10 CGCDRN CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806139076 626362453 /nfs/dbraw/zinc/36/24/53/626362453.db2.gz IFOJXJSCBCFQOX-DZGCQCFKSA-N 0 0 285.815 3.493 20 10 CGCDRN C/C=C(\C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000751311588 626384838 /nfs/dbraw/zinc/38/48/38/626384838.db2.gz MMBYFBTXBHFOPL-MKMNVTDBSA-N 0 0 274.408 3.457 20 10 CGCDRN Cc1ccc(C(=O)NCCC2=CCCCC2)c(O)c1O ZINC000751530916 626394554 /nfs/dbraw/zinc/39/45/54/626394554.db2.gz VVEFSWUFKCDKKQ-UHFFFAOYSA-N 0 0 275.348 3.027 20 10 CGCDRN COc1ccc(N(C)CCc2cccs2)c(OC)c1 ZINC000752108532 626419110 /nfs/dbraw/zinc/41/91/10/626419110.db2.gz BEESDEQEPRAVMB-UHFFFAOYSA-N 0 0 277.389 3.444 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(F)cc2)c(OC)c1 ZINC000752123447 626419397 /nfs/dbraw/zinc/41/93/97/626419397.db2.gz BXYPMXOLEOOYPE-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN CCCCc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000752372308 626426529 /nfs/dbraw/zinc/42/65/29/626426529.db2.gz KEOXOTWWINGVIJ-FMIVXFBMSA-N 0 0 297.402 3.439 20 10 CGCDRN CC(C)[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CC1 ZINC000753656451 626461154 /nfs/dbraw/zinc/46/11/54/626461154.db2.gz AQUIATWBJWRANF-HDJSIYSDSA-N 0 0 275.392 3.471 20 10 CGCDRN CC(C)c1nnc(CNCc2cc(Cl)ccc2O)s1 ZINC000756130408 626679203 /nfs/dbraw/zinc/67/92/03/626679203.db2.gz BTCQFLZFDCKSLR-UHFFFAOYSA-N 0 0 297.811 3.310 20 10 CGCDRN CCC(CC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756345958 626694155 /nfs/dbraw/zinc/69/41/55/626694155.db2.gz ZWSAUVRDQIQHFV-SNVBAGLBSA-N 0 0 265.353 3.018 20 10 CGCDRN CN(C)c1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC000756387348 626699904 /nfs/dbraw/zinc/69/99/04/626699904.db2.gz WEUSAJHNNNCJKJ-OAHLLOKOSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@H]([NH2+]Cc1ccccc1CO)c1cc(F)cc(F)c1[O-] ZINC000756460873 626706693 /nfs/dbraw/zinc/70/66/93/626706693.db2.gz UVFPNABGUUQXNI-JTQLQIEISA-N 0 0 293.313 3.014 20 10 CGCDRN C[C@@H]1C[C@@H](NCc2cscn2)c2c1c(F)ccc2O ZINC000756511703 626711441 /nfs/dbraw/zinc/71/14/41/626711441.db2.gz ZXWZIFUTDWPXJB-LDYMZIIASA-N 0 0 278.352 3.326 20 10 CGCDRN CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756568103 626715747 /nfs/dbraw/zinc/71/57/47/626715747.db2.gz BDMXTAZXTCCDTF-XPTSAGLGSA-N 0 0 287.350 3.118 20 10 CGCDRN CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756575925 626716776 /nfs/dbraw/zinc/71/67/76/626716776.db2.gz RIHRYLSJSMRCFS-ZFWWWQNUSA-N 0 0 294.414 3.446 20 10 CGCDRN CCCC[C@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756585954 626718853 /nfs/dbraw/zinc/71/88/53/626718853.db2.gz OYGZCNIPHYYXQL-VXGBXAGGSA-N 0 0 296.367 3.156 20 10 CGCDRN CO[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000756625688 626721467 /nfs/dbraw/zinc/72/14/67/626721467.db2.gz KPHUKIAZFRUUEN-NOZJJQNGSA-N 0 0 287.350 3.382 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(F)cc(F)c1[O-] ZINC000756636246 626722594 /nfs/dbraw/zinc/72/25/94/626722594.db2.gz WHRBDJBGCBBDCI-WDEREUQCSA-N 0 0 292.329 3.347 20 10 CGCDRN CN(Cc1cccc(F)c1F)c1ccc2c(c1)OCO2 ZINC000756654244 626724695 /nfs/dbraw/zinc/72/46/95/626724695.db2.gz OQGVTOJCJHYBIK-UHFFFAOYSA-N 0 0 277.270 3.330 20 10 CGCDRN CC(C)C1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756744862 626729491 /nfs/dbraw/zinc/72/94/91/626729491.db2.gz CXLUEPFXLIVGOZ-LLVKDONJSA-N 0 0 278.352 3.387 20 10 CGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CC[C@H](C)O1)CCC2 ZINC000839656749 626770889 /nfs/dbraw/zinc/77/08/89/626770889.db2.gz RXNWPSAPCAVNEJ-GXTWGEPZSA-N 0 0 291.391 3.024 20 10 CGCDRN CC[C@@H]1CC[C@H](C)N(C(=O)C2=CC(=O)CS2)C1 ZINC000839789662 626789057 /nfs/dbraw/zinc/78/90/57/626789057.db2.gz FBVQTNLOLZCHRF-VHSXEESVSA-N 0 0 253.367 3.104 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000757654501 626797783 /nfs/dbraw/zinc/79/77/83/626797783.db2.gz AXWLBNWRKIDHIV-JHJVBQTASA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H](NC(=O)CC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000758057348 626824421 /nfs/dbraw/zinc/82/44/21/626824421.db2.gz PDPXKLMMPUAVTL-GFCCVEGCSA-N 0 0 260.381 3.120 20 10 CGCDRN CC1(CNC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000758312981 626837036 /nfs/dbraw/zinc/83/70/36/626837036.db2.gz FBYAYIVDZZIUNY-UHFFFAOYSA-N 0 0 253.367 3.154 20 10 CGCDRN CC(C)C[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000758346611 626838321 /nfs/dbraw/zinc/83/83/21/626838321.db2.gz PMSGBKRSFHNXJV-NSHDSACASA-N 0 0 267.394 3.495 20 10 CGCDRN CN(CC1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874249789 634528528 /nfs/dbraw/zinc/52/85/28/634528528.db2.gz UEPGOYPHDMOYAB-UHFFFAOYSA-N 0 0 288.351 3.111 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1(O)CCC1 ZINC000761220898 627026333 /nfs/dbraw/zinc/02/63/33/627026333.db2.gz ZXTSZSGQIPVDDG-UHFFFAOYSA-N 0 0 290.190 3.046 20 10 CGCDRN Cc1cc(O)c(CNc2cc(C)c(C)nn2)cc1C ZINC000762652513 627118922 /nfs/dbraw/zinc/11/89/22/627118922.db2.gz QLGRFPKGPUXWOZ-UHFFFAOYSA-N 0 0 257.337 3.028 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C2/CC[C@H](C)C2)c1 ZINC000762804719 627125144 /nfs/dbraw/zinc/12/51/44/627125144.db2.gz IDSQDLBUOFNCMA-UONHYXGFSA-N 0 0 289.375 3.324 20 10 CGCDRN Fc1ccc(CNC(=S)Nc2ccccc2Cl)nc1 ZINC000763167689 627142996 /nfs/dbraw/zinc/14/29/96/627142996.db2.gz UFCQLPGKOORIHG-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN CCOC(=O)[C@@H](C)NCc1cc(-c2ccccc2)ccc1O ZINC000763285456 627149127 /nfs/dbraw/zinc/14/91/27/627149127.db2.gz OQCSNEHHYGJNFV-CYBMUJFWSA-N 0 0 299.370 3.100 20 10 CGCDRN CC(C)Oc1ccc(N(C)CC[C@@H]2CCOC2)cc1 ZINC000763541802 627165408 /nfs/dbraw/zinc/16/54/08/627165408.db2.gz UQCHSHFDNRDCQA-CQSZACIVSA-N 0 0 263.381 3.337 20 10 CGCDRN COc1ccc(O)c(CN2CCc3c2cccc3F)c1 ZINC000764678934 627218091 /nfs/dbraw/zinc/21/80/91/627218091.db2.gz VRMJOCREZMEAPM-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN Cc1cc(C)cc(CN(C)C(=O)C2=CC(=O)CS2)c1 ZINC000765926481 627278790 /nfs/dbraw/zinc/27/87/90/627278790.db2.gz LKPIDLYOWRREHG-UHFFFAOYSA-N 0 0 275.373 3.343 20 10 CGCDRN CN(C)c1ccc(CNc2nc3c(cccc3F)n2C)cc1 ZINC000766108392 627296618 /nfs/dbraw/zinc/29/66/18/627296618.db2.gz NWPMXPUBXZLXKR-UHFFFAOYSA-N 0 0 298.365 3.391 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCn1cc(C)cn1 ZINC000766269371 627309080 /nfs/dbraw/zinc/30/90/80/627309080.db2.gz JEFCTADMRKMLEN-UHFFFAOYSA-N 0 0 285.391 3.043 20 10 CGCDRN CCC1(CC)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000874629281 634574725 /nfs/dbraw/zinc/57/47/25/634574725.db2.gz CPZFKMVFSOOCLA-VQHVLOKHSA-N 0 0 289.375 3.292 20 10 CGCDRN O=C1N[C@@H](c2cc(Cl)cc(F)c2O)Nc2ccccc21 ZINC000768265999 627471962 /nfs/dbraw/zinc/47/19/62/627471962.db2.gz LOVKLHPUAQJTFI-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H]2CCCOC2)cc1 ZINC000768541233 627485128 /nfs/dbraw/zinc/48/51/28/627485128.db2.gz GXTGTGSHNJWFTE-AWEZNQCLSA-N 0 0 263.381 3.338 20 10 CGCDRN CCOc1cccc(C[N@H+](C)Cc2ccoc2)c1O ZINC000769003013 627515578 /nfs/dbraw/zinc/51/55/78/627515578.db2.gz ABZUERXVLRMTOC-UHFFFAOYSA-N 0 0 261.321 3.016 20 10 CGCDRN CN(Cc1ccoc1)Cc1c(O)cccc1Cl ZINC000769007298 627515882 /nfs/dbraw/zinc/51/58/82/627515882.db2.gz YPPDOTDENSMTRD-UHFFFAOYSA-N 0 0 251.713 3.271 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000769017404 627517594 /nfs/dbraw/zinc/51/75/94/627517594.db2.gz MTHOCMRSTPVEOI-CYBMUJFWSA-N 0 0 276.380 3.112 20 10 CGCDRN COc1cccc(O)c1C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000769451196 627554104 /nfs/dbraw/zinc/55/41/04/627554104.db2.gz JDIZWOLCRYQCHR-STQMWFEESA-N 0 0 263.381 3.411 20 10 CGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000769515343 627561865 /nfs/dbraw/zinc/56/18/65/627561865.db2.gz OFMNEUZCXYXPGX-NSHDSACASA-N 0 0 251.757 3.278 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNCc1ncc(Cl)s1 ZINC000769914130 627589321 /nfs/dbraw/zinc/58/93/21/627589321.db2.gz KSZFADNSKIOCPT-UHFFFAOYSA-N 0 0 295.839 3.461 20 10 CGCDRN COc1cccc(O)c1CNc1cc(F)cc(F)c1OC ZINC000770420607 627618256 /nfs/dbraw/zinc/61/82/56/627618256.db2.gz IQXJRHSBJDZZGE-UHFFFAOYSA-N 0 0 295.285 3.300 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)[C@@H](COC)Cc1ccccc1 ZINC000770506196 627623700 /nfs/dbraw/zinc/62/37/00/627623700.db2.gz YFRHWLUWWQYUEA-GOSISDBHSA-N 0 0 299.414 3.472 20 10 CGCDRN CCC1(CC)[C@H](NC(=O)C2=CC(=O)CS2)[C@H](C)[C@@H]1OC ZINC000771417371 627708382 /nfs/dbraw/zinc/70/83/82/627708382.db2.gz IGTJKURLOYNZCZ-BIMULSAOSA-N 0 0 297.420 3.023 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC2(C)C)cc1 ZINC000771845697 627735816 /nfs/dbraw/zinc/73/58/16/627735816.db2.gz KNZOKZNSBWHQFT-HNNXBMFYSA-N 0 0 274.408 3.195 20 10 CGCDRN O=C(Cc1ccoc1)NCc1ccc(N2CCCCC2)cc1 ZINC000772510254 627799387 /nfs/dbraw/zinc/79/93/87/627799387.db2.gz BHDRXJHRSLLTSF-UHFFFAOYSA-N 0 0 298.386 3.129 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)c1ccco1)c1ccc(N(C)C)cc1 ZINC000772999769 627839665 /nfs/dbraw/zinc/83/96/65/627839665.db2.gz LUBMIKYUGNWRCQ-CHWSQXEVSA-N 0 0 286.375 3.327 20 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0 0 291.391 3.115 20 10 CGCDRN CCC/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775408698 628091545 /nfs/dbraw/zinc/09/15/45/628091545.db2.gz BFNPRFGKXGBDKA-WSROAFLRSA-N 0 0 260.381 3.286 20 10 CGCDRN Cc1ccc(O)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775402199 628091925 /nfs/dbraw/zinc/09/19/25/628091925.db2.gz AHUOTHXOYJVVIY-CYBMUJFWSA-N 0 0 298.386 3.258 20 10 CGCDRN CC[C@@H](NCc1ccon1)c1cc(Cl)ccc1O ZINC000775512167 628102914 /nfs/dbraw/zinc/10/29/14/628102914.db2.gz NCCKBOVSJGROBU-GFCCVEGCSA-N 0 0 266.728 3.275 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCOC1 ZINC000775653516 628120318 /nfs/dbraw/zinc/12/03/18/628120318.db2.gz JYTRLXIVAPHZFM-JTQLQIEISA-N 0 0 287.762 3.043 20 10 CGCDRN C[C@H](C1CC1)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776236970 628183943 /nfs/dbraw/zinc/18/39/43/628183943.db2.gz DLYQQTOPWNUMSY-QWHCGFSZSA-N 0 0 289.423 3.254 20 10 CGCDRN O=C(Nc1cccc2cc[nH]c21)C1=CC(=O)CS1 ZINC000776262415 628186026 /nfs/dbraw/zinc/18/60/26/628186026.db2.gz BYTPDXJBKYWGIM-UHFFFAOYSA-N 0 0 258.302 3.187 20 10 CGCDRN Cc1ccccc1C(C)(C)CNC(=O)c1cccc(O)c1O ZINC000776344699 628196058 /nfs/dbraw/zinc/19/60/58/628196058.db2.gz XHRNNIPIVBWRLO-UHFFFAOYSA-N 0 0 299.370 3.114 20 10 CGCDRN CC(C)c1nnc(NCc2ccc(N3CCCC3)cc2)o1 ZINC000777513401 628277026 /nfs/dbraw/zinc/27/70/26/628277026.db2.gz CTQAMJUVABQKFA-UHFFFAOYSA-N 0 0 286.379 3.405 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(CO)cc2)cc1 ZINC000778945371 628379296 /nfs/dbraw/zinc/37/92/96/628379296.db2.gz FSZSBTJRVPBYJV-UHFFFAOYSA-N 0 0 271.360 3.214 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1F ZINC000779151130 628390779 /nfs/dbraw/zinc/39/07/79/628390779.db2.gz VMKCGINIMAROHK-JOYOIKCWSA-N 0 0 257.736 3.226 20 10 CGCDRN C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1F ZINC000779151496 628391126 /nfs/dbraw/zinc/39/11/26/628391126.db2.gz YVBSLWLOWFANCJ-SKDRFNHKSA-N 0 0 257.736 3.226 20 10 CGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000779432154 628413148 /nfs/dbraw/zinc/41/31/48/628413148.db2.gz LWWFKQKMIRTPAR-JSGCOSHPSA-N 0 0 297.826 3.275 20 10 CGCDRN C[C@H](N(C)C(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000779492303 628415532 /nfs/dbraw/zinc/41/55/32/628415532.db2.gz ITKCATZLFZVYNT-DJYGCBNOSA-N 0 0 277.364 3.004 20 10 CGCDRN CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779474693 628415643 /nfs/dbraw/zinc/41/56/43/628415643.db2.gz CIRILWROXDKXPF-FROQITRMSA-N 0 0 291.391 3.444 20 10 CGCDRN Cc1cccc(F)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779545433 628416435 /nfs/dbraw/zinc/41/64/35/628416435.db2.gz SPARHNIGOPJKPZ-VURMDHGXSA-N 0 0 287.290 3.197 20 10 CGCDRN Cc1cccc(F)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779545428 628416550 /nfs/dbraw/zinc/41/65/50/628416550.db2.gz SPARHNIGOPJKPZ-SOFGYWHQSA-N 0 0 287.290 3.197 20 10 CGCDRN CC(C)[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779521198 628416554 /nfs/dbraw/zinc/41/65/54/628416554.db2.gz XJIVNNQENUGDER-RCQQVGEISA-N 0 0 289.375 3.148 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(O)c1)c1cccc(C)c1 ZINC000779653775 628419427 /nfs/dbraw/zinc/41/94/27/628419427.db2.gz XPIGJUONVIOTBI-FPLPWBNLSA-N 0 0 282.343 3.162 20 10 CGCDRN CC/C(C)=C(/C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000779967277 628446552 /nfs/dbraw/zinc/44/65/52/628446552.db2.gz HUYYIRKGOFUQGD-SEYXRHQNSA-N 0 0 288.391 3.224 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnn2ccccc12 ZINC000780767082 628515864 /nfs/dbraw/zinc/51/58/64/628515864.db2.gz NUQBNNNQOFSGNS-UHFFFAOYSA-N 0 0 293.370 3.296 20 10 CGCDRN COc1cccc(O)c1CN1CCc2ccc(C)cc21 ZINC000780772593 628516359 /nfs/dbraw/zinc/51/63/59/628516359.db2.gz FSNMQAANGCHVBT-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000780889627 628522111 /nfs/dbraw/zinc/52/21/11/628522111.db2.gz RDLJQMRQIAIRSZ-DGCLKSJQSA-N 0 0 277.364 3.105 20 10 CGCDRN Cc1cc(O)c(CN2CCOc3ccccc32)cc1C ZINC000780896629 628522517 /nfs/dbraw/zinc/52/25/17/628522517.db2.gz PXSOQVAZWGUBCA-UHFFFAOYSA-N 0 0 269.344 3.408 20 10 CGCDRN Cc1ccc(C(=O)NC2CCC(C)(C)CC2)c(O)c1O ZINC000780955682 628526221 /nfs/dbraw/zinc/52/62/21/628526221.db2.gz VLSWHNQKDHJXNV-UHFFFAOYSA-N 0 0 277.364 3.105 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(Cl)c1[O-] ZINC000806148587 628531832 /nfs/dbraw/zinc/53/18/32/628531832.db2.gz HYYUHHHSIKDQFP-MJVIPROJSA-N 0 0 283.799 3.390 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)CC2CC2)c1 ZINC000781903359 628604344 /nfs/dbraw/zinc/60/43/44/628604344.db2.gz ZTTZPUGTWFEBCW-UHFFFAOYSA-N 0 0 284.197 3.305 20 10 CGCDRN Cc1cn2c(n1)CN(Cc1cc(C(C)C)c(C)cc1O)CC2 ZINC000782278568 628632967 /nfs/dbraw/zinc/63/29/67/628632967.db2.gz ZKZFIWUFWJGTER-UHFFFAOYSA-N 0 0 299.418 3.345 20 10 CGCDRN CC(=O)NCc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000783531472 628722805 /nfs/dbraw/zinc/72/28/05/628722805.db2.gz IBUXLNTZKGTHPB-GFCCVEGCSA-N 0 0 284.359 3.201 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCc2ccccc21 ZINC000784288577 628801731 /nfs/dbraw/zinc/80/17/31/628801731.db2.gz YVTWKVDOJKTSEZ-XBMZPMPPSA-N 0 0 296.322 3.342 20 10 CGCDRN CS[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000784626372 628825846 /nfs/dbraw/zinc/82/58/46/628825846.db2.gz RPTGNIZQONESDX-CYBMUJFWSA-N 0 0 298.408 3.168 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCOCC(F)F ZINC000787276708 629007205 /nfs/dbraw/zinc/00/72/05/629007205.db2.gz ZYRJSALTYUAYJC-UHFFFAOYSA-N 0 0 285.334 3.120 20 10 CGCDRN CC[C@H](Nc1cn(C)nc1OC)c1cc(Cl)ccc1O ZINC000788985798 629093880 /nfs/dbraw/zinc/09/38/80/629093880.db2.gz SUSFPFNUNFLOGA-NSHDSACASA-N 0 0 295.770 3.351 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC2CCC3(CC3)CC2)c1 ZINC000875535253 634708818 /nfs/dbraw/zinc/70/88/18/634708818.db2.gz VIHDDEYBUNLXTM-UHFFFAOYSA-N 0 0 288.391 3.223 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(F)cc1[O-] ZINC000790499700 629214445 /nfs/dbraw/zinc/21/44/45/629214445.db2.gz ZAXZQQJDDRQJSB-BLLLJJGKSA-N 0 0 294.414 3.302 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cnc(C2CC2)o1 ZINC000862213025 629324061 /nfs/dbraw/zinc/32/40/61/629324061.db2.gz VCRVWTIRPTWMIF-UHFFFAOYSA-N 0 0 270.332 3.123 20 10 CGCDRN CO[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@H]1C ZINC000792180385 629345497 /nfs/dbraw/zinc/34/54/97/629345497.db2.gz QZTPCWAXEPSXOM-RNCFNFMXSA-N 0 0 287.762 3.042 20 10 CGCDRN C[C@@H](NC(=O)NCCC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000792179336 629345523 /nfs/dbraw/zinc/34/55/23/629345523.db2.gz OWKABCGWIBRKRI-CYBMUJFWSA-N 0 0 289.423 3.303 20 10 CGCDRN CC[C@H](C)n1ncc(NCc2cc(OC)ccc2O)c1C ZINC000792192524 629346895 /nfs/dbraw/zinc/34/68/95/629346895.db2.gz LMFQQWQYLMBJOI-NSHDSACASA-N 0 0 289.379 3.489 20 10 CGCDRN Cc1ccncc1NCc1cc(Br)ccc1O ZINC000118999806 629415318 /nfs/dbraw/zinc/41/53/18/629415318.db2.gz FRILVAOMTJIKPY-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](c2cccnc2)C(C)C)c1 ZINC000862756080 629429990 /nfs/dbraw/zinc/42/99/90/629429990.db2.gz PHUSCAIJYMFDKQ-QGZVFWFLSA-N 0 0 298.386 3.152 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000862755639 629429996 /nfs/dbraw/zinc/42/99/96/629429996.db2.gz JHDDCBGXMYXYMU-LLVKDONJSA-N 0 0 283.318 3.142 20 10 CGCDRN C/C=C(/C=C\C(=O)NCc1cc(C)ccc1O)CC ZINC000862758022 629430663 /nfs/dbraw/zinc/43/06/63/629430663.db2.gz MFNRTFNRGHTRHL-YPVRFXKISA-N 0 0 259.349 3.229 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(O)c1 ZINC000793389579 629453851 /nfs/dbraw/zinc/45/38/51/629453851.db2.gz JXIIVYXZKPPGSJ-UHFFFAOYSA-N 0 0 293.750 3.050 20 10 CGCDRN Oc1cc2c(cc1CN1CCO[C@@H]3C[C@@H]31)oc1ccccc12 ZINC000793611263 629490330 /nfs/dbraw/zinc/49/03/30/629490330.db2.gz DNXWCZXBEJCVID-KBXCAEBGSA-N 0 0 295.338 3.265 20 10 CGCDRN CN1C(=O)/C(=C/c2ccc3c(c2)CCCC3)SC1=S ZINC000794183987 629520307 /nfs/dbraw/zinc/52/03/07/629520307.db2.gz CUDHTQGSDBJGKE-LCYFTJDESA-N 0 0 289.425 3.396 20 10 CGCDRN CCn1ncc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000863314735 629531623 /nfs/dbraw/zinc/53/16/23/629531623.db2.gz VWCKNRGNBUEVCX-UHFFFAOYSA-N 0 0 282.438 3.344 20 10 CGCDRN CCCC[C@@H](CC)C(=O)NCc1ccc(OC)cc1O ZINC000794377968 629537754 /nfs/dbraw/zinc/53/77/54/629537754.db2.gz RQBQZUGJUCCDHD-GFCCVEGCSA-N 0 0 279.380 3.233 20 10 CGCDRN CCN(C)c1ccc(Cn2ccnc2C2CC2)cc1 ZINC000863385590 629555857 /nfs/dbraw/zinc/55/58/57/629555857.db2.gz GMJLJMNFCWYWJC-UHFFFAOYSA-N 0 0 255.365 3.265 20 10 CGCDRN CCCCCC[C@H](C)NC(=O)CN(C)c1ccc(N)cc1 ZINC000863556730 629605065 /nfs/dbraw/zinc/60/50/65/629605065.db2.gz DIPWBFGMZJZKRI-AWEZNQCLSA-N 0 0 291.439 3.180 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(Cc3ccccc3)o2)c1 ZINC000794960126 629606727 /nfs/dbraw/zinc/60/67/27/629606727.db2.gz LLJCXYRUTVPHSV-UHFFFAOYSA-N 0 0 295.342 3.287 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1CC(C)(C)C1 ZINC000796500953 629790950 /nfs/dbraw/zinc/79/09/50/629790950.db2.gz LCUJJAWDBBPGNO-UHFFFAOYSA-N 0 0 274.408 3.113 20 10 CGCDRN C[C@@H]1C[C@H]1Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000864370001 629820042 /nfs/dbraw/zinc/82/00/42/629820042.db2.gz PLGRAWGCXXNJES-VXNVDRBHSA-N 0 0 262.334 3.042 20 10 CGCDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796758238 629826940 /nfs/dbraw/zinc/82/69/40/629826940.db2.gz BTBAWGRSCYNBOC-PJODQICGSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(F)cc1[O-] ZINC000796764544 629829503 /nfs/dbraw/zinc/82/95/03/629829503.db2.gz VEMPKUJNUIMXLB-GDBMZVCRSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796782113 629832592 /nfs/dbraw/zinc/83/25/92/629832592.db2.gz OYHLNSAGEWTNMR-LNSITVRQSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(F)cc1[O-] ZINC000796798307 629835903 /nfs/dbraw/zinc/83/59/03/629835903.db2.gz KZUJMOZYZQUGLD-CXOJTPOUSA-N 0 0 281.371 3.266 20 10 CGCDRN CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1ccc(F)cc1[O-] ZINC000796827565 629842052 /nfs/dbraw/zinc/84/20/52/629842052.db2.gz OCOBJMSFSNOZBU-GXTWGEPZSA-N 0 0 269.360 3.123 20 10 CGCDRN CC/C=C(\F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864861707 629935695 /nfs/dbraw/zinc/93/56/95/629935695.db2.gz DTFWPCCUVZHYJV-WCSRMQSCSA-N 0 0 276.355 3.166 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2C2CC2)c(C)n1-c1ccccn1 ZINC000797692702 629976871 /nfs/dbraw/zinc/97/68/71/629976871.db2.gz FBGISGPVRSXQOA-JKSUJKDBSA-N 0 0 295.386 3.017 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCCCO1 ZINC000797720506 629979013 /nfs/dbraw/zinc/97/90/13/629979013.db2.gz JFTIELQCLPRTBN-HNNXBMFYSA-N 0 0 261.365 3.017 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)NCc2ccccc2O)[C@@H]1c1ccccc1 ZINC000797742641 629979876 /nfs/dbraw/zinc/97/98/76/629979876.db2.gz AKYYXOLEYXRGJM-AFAVFJNCSA-N 0 0 281.355 3.058 20 10 CGCDRN CCc1ccnc(CNC(=S)Nc2ccccc2C)c1 ZINC000797793480 629983415 /nfs/dbraw/zinc/98/34/15/629983415.db2.gz PECXKMKSUAIATL-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000120387015 630006035 /nfs/dbraw/zinc/00/60/35/630006035.db2.gz AMTXIWDBXHCTSU-VXGBXAGGSA-N 0 0 295.402 3.126 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)c(C)c2)cc1C ZINC000798085735 630020638 /nfs/dbraw/zinc/02/06/38/630020638.db2.gz XAOBDHUKFOQMJJ-UHFFFAOYSA-N 0 0 284.359 3.028 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000798090773 630021658 /nfs/dbraw/zinc/02/16/58/630021658.db2.gz KBYMBUVQCBCJTB-DGCLKSJQSA-N 0 0 251.757 3.324 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000798090775 630021950 /nfs/dbraw/zinc/02/19/50/630021950.db2.gz KBYMBUVQCBCJTB-YPMHNXCESA-N 0 0 251.757 3.324 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CCC[C@@H](C)C1 ZINC000836665240 634789473 /nfs/dbraw/zinc/78/94/73/634789473.db2.gz CCXFQTFEOJHSKO-HZSPNIEDSA-N 0 0 290.407 3.406 20 10 CGCDRN C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc(F)cc1[O-] ZINC000798936572 630126895 /nfs/dbraw/zinc/12/68/95/630126895.db2.gz BUPBKHFDDZMZGU-GXTWGEPZSA-N 0 0 295.398 3.371 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc([C@H](C)O)cn1 ZINC000865541979 630177261 /nfs/dbraw/zinc/17/72/61/630177261.db2.gz KYNOMOAJRFGSRE-ZDUSSCGKSA-N 0 0 285.391 3.121 20 10 CGCDRN C/C=C(\C)C(=O)N(CCCC)Cc1ccccc1O ZINC000801548433 630343144 /nfs/dbraw/zinc/34/31/44/630343144.db2.gz FWGBOMLOKDVKEW-WLRTZDKTSA-N 0 0 261.365 3.487 20 10 CGCDRN CSc1cnc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000804622048 630543788 /nfs/dbraw/zinc/54/37/88/630543788.db2.gz PYXPDXRKTMODDV-NSHDSACASA-N 0 0 288.420 3.438 20 10 CGCDRN CCCNC(=O)CC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806130553 630545918 /nfs/dbraw/zinc/54/59/18/630545918.db2.gz ALSVVEVXQLIXDJ-CYBMUJFWSA-N 0 0 298.814 3.003 20 10 CGCDRN CC[C@H]([NH2+]CCN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806171529 630553246 /nfs/dbraw/zinc/55/32/46/630553246.db2.gz NIQJEFLSWUWZPP-LBPRGKRZSA-N 0 0 291.222 3.301 20 10 CGCDRN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1O ZINC000807886461 630604539 /nfs/dbraw/zinc/60/45/39/630604539.db2.gz RRIZWVLGZLTNAT-NWDGAFQWSA-N 0 0 291.391 3.385 20 10 CGCDRN CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808422101 630643071 /nfs/dbraw/zinc/64/30/71/630643071.db2.gz XPLKGCLDHJSWSZ-NSHDSACASA-N 0 0 284.743 3.232 20 10 CGCDRN CN(C)c1ccc(CN[C@@H](C2CC2)C(F)(F)F)cc1F ZINC000808438319 630645391 /nfs/dbraw/zinc/64/53/91/630645391.db2.gz BWBNLZBPZSVGPA-ZDUSSCGKSA-N 0 0 290.304 3.322 20 10 CGCDRN CCC[C@H](CC1CCCCC1)C(=O)OCC(=O)C(C)=O ZINC000808517575 630653266 /nfs/dbraw/zinc/65/32/66/630653266.db2.gz HFYHUTXAGNGZLW-CQSZACIVSA-N 0 0 282.380 3.074 20 10 CGCDRN CN1CCCN(Cc2cc(F)ccc2O)c2ccccc21 ZINC000809785976 630808330 /nfs/dbraw/zinc/80/83/30/630808330.db2.gz JQQUBKKJROPMFL-UHFFFAOYSA-N 0 0 286.350 3.378 20 10 CGCDRN CCOc1ccc(O)c(CNc2cccc3c2COC3=O)c1 ZINC000809791563 630810760 /nfs/dbraw/zinc/81/07/60/630810760.db2.gz NXXJWBGMALRYRJ-UHFFFAOYSA-N 0 0 299.326 3.073 20 10 CGCDRN COc1ccccc1COc1ccc(N(C)C)cc1 ZINC000810001688 630826170 /nfs/dbraw/zinc/82/61/70/630826170.db2.gz JVHRXVTVTSWBAI-UHFFFAOYSA-N 0 0 257.333 3.340 20 10 CGCDRN CN(C)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000810001550 630826202 /nfs/dbraw/zinc/82/62/02/630826202.db2.gz HJCPXSMAUPFHNO-UHFFFAOYSA-N 0 0 272.304 3.240 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1c[nH]nc1C ZINC000811508114 631077380 /nfs/dbraw/zinc/07/73/80/631077380.db2.gz APZOBYWQSKZIJR-UHFFFAOYSA-N 0 0 271.364 3.070 20 10 CGCDRN Cc1ccc2c(c1)/C(=C\c1ccc(F)nc1C)C(=O)N2C ZINC000811697407 631111594 /nfs/dbraw/zinc/11/15/94/631111594.db2.gz CUIZOCYBPCPTOL-NTEUORMPSA-N 0 0 282.318 3.355 20 10 CGCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(C)(C)C ZINC000812794758 631313188 /nfs/dbraw/zinc/31/31/88/631313188.db2.gz FEXXEANKCNQYDF-UHFFFAOYSA-N 0 0 296.367 3.177 20 10 CGCDRN Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])o1 ZINC000876535348 634853188 /nfs/dbraw/zinc/85/31/88/634853188.db2.gz NLKYZVVDYYCVJV-UHFFFAOYSA-N 0 0 267.275 3.204 20 10 CGCDRN CN(C)c1ccc(Cn2c3ccccc3sc2=O)cc1 ZINC000814750985 631633252 /nfs/dbraw/zinc/63/32/52/631633252.db2.gz CMYGXJFWULUJIT-UHFFFAOYSA-N 0 0 284.384 3.177 20 10 CGCDRN C[C@]1(C(=O)NCCCSc2nccs2)C[C@H]2C[C@H]2C1 ZINC000815590863 631802270 /nfs/dbraw/zinc/80/22/70/631802270.db2.gz LREFUVMSLZCQCO-YABSGUDNSA-N 0 0 296.461 3.178 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000815604179 631804746 /nfs/dbraw/zinc/80/47/46/631804746.db2.gz GVNFFJVFASWKNE-RKDXNWHRSA-N 0 0 291.313 3.221 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)NCC(C)(F)F)cc1 ZINC000815643410 631811707 /nfs/dbraw/zinc/81/17/07/631811707.db2.gz BRWLWFUGRIMPHD-LLVKDONJSA-N 0 0 256.340 3.449 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)C(C)(F)F)c1ccc(N(C)C)cc1 ZINC000816180528 631895857 /nfs/dbraw/zinc/89/58/57/631895857.db2.gz RWHCEXLBDGFJEN-WDEREUQCSA-N 0 0 284.350 3.221 20 10 CGCDRN CC[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816519981 632003344 /nfs/dbraw/zinc/00/33/44/632003344.db2.gz BSJNTYZCTTVOTM-VIFPVBQESA-N 0 0 257.736 3.417 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816551015 632008263 /nfs/dbraw/zinc/00/82/63/632008263.db2.gz LLGHHCJAMOPPKR-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816551311 632008584 /nfs/dbraw/zinc/00/85/84/632008584.db2.gz XEFCGDWFYNJNGU-JTQLQIEISA-N 0 0 289.778 3.071 20 10 CGCDRN CC(C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816552063 632008881 /nfs/dbraw/zinc/00/88/81/632008881.db2.gz ZRPXOBAAHWJXQY-UHFFFAOYSA-N 0 0 257.736 3.463 20 10 CGCDRN CO[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1C ZINC000816586392 632017521 /nfs/dbraw/zinc/01/75/21/632017521.db2.gz GSKJYKONPLQZGD-OTYXRUKQSA-N 0 0 287.762 3.042 20 10 CGCDRN CC(C)C[C@H](CO)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612564 632022548 /nfs/dbraw/zinc/02/25/48/632022548.db2.gz SFWLHSSEDFTVAC-LLVKDONJSA-N 0 0 289.778 3.024 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)OC ZINC000816617105 632025468 /nfs/dbraw/zinc/02/54/68/632025468.db2.gz OZVDTJJZTCMUEC-SECBINFHSA-N 0 0 275.751 3.042 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667778 632042015 /nfs/dbraw/zinc/04/20/15/632042015.db2.gz WKFVDTFILQIWLD-AWEZNQCLSA-N 0 0 295.810 3.437 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](c2ccccc2)C1 ZINC000817106886 632082463 /nfs/dbraw/zinc/08/24/63/632082463.db2.gz NTDOLQLYQJPLCE-CQSZACIVSA-N 0 0 297.354 3.118 20 10 CGCDRN CC(C)n1cc(/C=C2\c3cccc4c3N(CCC4)C2=O)cn1 ZINC000817346614 632129605 /nfs/dbraw/zinc/12/96/05/632129605.db2.gz WLEPUVNVSQUABG-CXUHLZMHSA-N 0 0 293.370 3.297 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CC34CC4)cc2)CC1 ZINC000817531007 632180642 /nfs/dbraw/zinc/18/06/42/632180642.db2.gz BJUUPSXDNISPAP-QGZVFWFLSA-N 0 0 298.430 3.339 20 10 CGCDRN CC(C)(C)c1ccc(C(=O)NCc2ccccc2O)nc1 ZINC000817549589 632181915 /nfs/dbraw/zinc/18/19/15/632181915.db2.gz LQSOSFIAPDCDRC-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN C[C@H]([NH2+]CCCC1(O)CCC1)c1cc(F)cc(F)c1[O-] ZINC000817585718 632192035 /nfs/dbraw/zinc/19/20/35/632192035.db2.gz HDSMQTBTQWWNEG-JTQLQIEISA-N 0 0 285.334 3.016 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CN)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966397 632261138 /nfs/dbraw/zinc/26/11/38/632261138.db2.gz MUSFFHKDYWESGW-RDDDGLTNSA-N 0 0 277.195 3.087 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818229914 632300343 /nfs/dbraw/zinc/30/03/43/632300343.db2.gz HWXRURUZYQECLG-WCQYABFASA-N 0 0 296.208 3.433 20 10 CGCDRN Nc1ccc(NC(=O)c2coc(C3CCCC3)n2)cc1 ZINC000818556261 632334170 /nfs/dbraw/zinc/33/41/70/632334170.db2.gz GDBQFNLQRRYQOQ-UHFFFAOYSA-N 0 0 271.320 3.167 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc(C3CCC3)cn2)c(O)c1O ZINC000819036246 632369341 /nfs/dbraw/zinc/36/93/41/632369341.db2.gz BOCUEQXFALHQKN-UHFFFAOYSA-N 0 0 298.342 3.321 20 10 CGCDRN CCOc1ccccc1NC[C@@H](O)CCc1ccccc1 ZINC000819392756 632447816 /nfs/dbraw/zinc/44/78/16/632447816.db2.gz URWYZTXARVXZDU-INIZCTEOSA-N 0 0 285.387 3.491 20 10 CGCDRN Cc1ccc(C2(C(=O)NCc3ccccc3O)CCC2)cc1 ZINC000819397940 632449718 /nfs/dbraw/zinc/44/97/18/632449718.db2.gz HINLYOABUORAHV-UHFFFAOYSA-N 0 0 295.382 3.439 20 10 CGCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820478604 632635235 /nfs/dbraw/zinc/63/52/35/632635235.db2.gz JCTWDMQEJYBLCE-ZWNOBZJWSA-N 0 0 288.351 3.110 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CC=CCC2)cc1 ZINC000822265283 632891676 /nfs/dbraw/zinc/89/16/76/632891676.db2.gz MFHZEIIWFLRRRR-SFHVURJKSA-N 0 0 286.419 3.457 20 10 CGCDRN Oc1cccc2c1CN(c1nc(C(F)(F)F)cs1)C2 ZINC000866118066 633003635 /nfs/dbraw/zinc/00/36/35/633003635.db2.gz VZQBESUSOGLOIQ-UHFFFAOYSA-N 0 0 286.278 3.388 20 10 CGCDRN C[C@@H](CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823485219 633112626 /nfs/dbraw/zinc/11/26/26/633112626.db2.gz MLOHQTYFIHKONB-JTQLQIEISA-N 0 0 290.367 3.404 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000866487899 633156832 /nfs/dbraw/zinc/15/68/32/633156832.db2.gz HQDTYBWTJCNFIP-HGNGGELXSA-N 0 0 273.348 3.215 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000824234454 633215785 /nfs/dbraw/zinc/21/57/85/633215785.db2.gz KKJQQQPSJAASQI-ZSHCYNCHSA-N 0 0 286.419 3.147 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)C(F)F ZINC000824508581 633251384 /nfs/dbraw/zinc/25/13/84/633251384.db2.gz FODAQUFTZMDYQU-GZMMTYOYSA-N 0 0 259.296 3.095 20 10 CGCDRN CCOCc1cc(CN[C@H](CC)C(F)F)ccc1OC ZINC000824509285 633251628 /nfs/dbraw/zinc/25/16/28/633251628.db2.gz KPHDDUQOZSJYEB-CYBMUJFWSA-N 0 0 287.350 3.365 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)c2cccc(F)c2)cc1F ZINC000121731236 633257558 /nfs/dbraw/zinc/25/75/58/633257558.db2.gz YEAQWASYWBCDRX-HNNXBMFYSA-N 0 0 293.313 3.143 20 10 CGCDRN CCOCC[N@H+](CC)Cc1cc(Cl)c(C)cc1O ZINC000824632228 633266679 /nfs/dbraw/zinc/26/66/79/633266679.db2.gz AHOFXMCDQQVICV-UHFFFAOYSA-N 0 0 271.788 3.212 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000867968464 633282614 /nfs/dbraw/zinc/28/26/14/633282614.db2.gz DNMFVURYYLJMTH-MBNYWOFBSA-N 0 0 276.380 3.331 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CC1CSC1 ZINC000868108911 633296088 /nfs/dbraw/zinc/29/60/88/633296088.db2.gz AYOOLZQRCNQTLK-UHFFFAOYSA-N 0 0 293.432 3.274 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000868117784 633296736 /nfs/dbraw/zinc/29/67/36/633296736.db2.gz YSCZOVGIWJFEGK-JHJVBQTASA-N 0 0 276.380 3.331 20 10 CGCDRN CC[C@H]1CCC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868394315 633319684 /nfs/dbraw/zinc/31/96/84/633319684.db2.gz QYJVLANTKFCIEN-DYEKYZERSA-N 0 0 276.380 3.331 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868394319 633320056 /nfs/dbraw/zinc/32/00/56/633320056.db2.gz QYJVLANTKFCIEN-SCRDCRAPSA-N 0 0 276.380 3.331 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c2c1CCC2 ZINC000825481760 633356387 /nfs/dbraw/zinc/35/63/87/633356387.db2.gz UIZGWFPHHXUSDA-UHFFFAOYSA-N 0 0 295.382 3.462 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000825736669 633378375 /nfs/dbraw/zinc/37/83/75/633378375.db2.gz FXDLXVSDXXGZJA-OXIQGZBJSA-N 0 0 289.375 3.014 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2c[nH]cn2)cc1F ZINC000826769587 633431493 /nfs/dbraw/zinc/43/14/93/633431493.db2.gz NVPMVRTUQVYLHW-UHFFFAOYSA-N 0 0 290.386 3.027 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cscn1 ZINC000826973886 633446125 /nfs/dbraw/zinc/44/61/25/633446125.db2.gz XTWVRAQASFDAFP-ZETCQYMHSA-N 0 0 286.759 3.492 20 10 CGCDRN Oc1c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)ccc2ccccc21 ZINC000827153098 633465296 /nfs/dbraw/zinc/46/52/96/633465296.db2.gz YKDPZAGOCSGXJZ-IBGZPJMESA-N 0 0 297.398 3.282 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000827371152 633485971 /nfs/dbraw/zinc/48/59/71/633485971.db2.gz PWQIOKMJJOKZCO-ZJUUUORDSA-N 0 0 287.762 3.184 20 10 CGCDRN CCc1cccc(C[N@@H+]2CCOc3ccc(O)cc3C2)c1O ZINC000827655937 633508516 /nfs/dbraw/zinc/50/85/16/633508516.db2.gz FTIZMTOFOSFCGD-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN Cc1ccccc1NC1=NC(=O)C(=Cc2ccn(C)c2)S1 ZINC000208039481 633526459 /nfs/dbraw/zinc/52/64/59/633526459.db2.gz SBHULKFBIZXZLU-ZROIWOOFSA-N 0 0 297.383 3.416 20 10 CGCDRN CC[C@@H](Nc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827930840 633535939 /nfs/dbraw/zinc/53/59/39/633535939.db2.gz RZWANPLYKPQRIK-CZUORRHYSA-N 0 0 298.386 3.460 20 10 CGCDRN Cc1ccc(CC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827931111 633536092 /nfs/dbraw/zinc/53/60/92/633536092.db2.gz YJHIUSZGFZTTBY-LLVKDONJSA-N 0 0 275.373 3.182 20 10 CGCDRN C[C@@H](NC(=O)C[C@H]1CC[C@H](C)C1)c1ccccc1O ZINC000827937026 633536480 /nfs/dbraw/zinc/53/64/80/633536480.db2.gz INHGXKPETOKAGL-XQQFMLRXSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)C1(F)CCCCC1)c1ccccc1O ZINC000827946235 633537990 /nfs/dbraw/zinc/53/79/90/633537990.db2.gz BDFLDHMQRGFYGE-LLVKDONJSA-N 0 0 265.328 3.242 20 10 CGCDRN C[C@@H](NC(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000827946401 633538019 /nfs/dbraw/zinc/53/80/19/633538019.db2.gz GWAKYDJSOVKBNQ-GHMZBOCLSA-N 0 0 283.318 3.395 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000827952528 633539541 /nfs/dbraw/zinc/53/95/41/633539541.db2.gz WPBKZEYSLGRUFT-DWQUBVKVSA-N 0 0 299.345 3.454 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCc2ccccc2C1)c1ccccc1O ZINC000827952515 633539657 /nfs/dbraw/zinc/53/96/57/633539657.db2.gz WETMJGVQDULHAW-CJNGLKHVSA-N 0 0 295.382 3.375 20 10 CGCDRN C[C@@H](NC(=O)C1(C(F)F)CCC1)c1ccccc1O ZINC000827956348 633539834 /nfs/dbraw/zinc/53/98/34/633539834.db2.gz KQMHMIDLWAERKT-SECBINFHSA-N 0 0 269.291 3.005 20 10 CGCDRN CCCc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000827963836 633541405 /nfs/dbraw/zinc/54/14/05/633541405.db2.gz BQDSQLHKVZWFQG-JTQLQIEISA-N 0 0 288.347 3.132 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000827972881 633542668 /nfs/dbraw/zinc/54/26/68/633542668.db2.gz CAIBAFYORYQRLH-RWMBFGLXSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)C(F)=C1CCCC1)c1ccccc1O ZINC000827973013 633542791 /nfs/dbraw/zinc/54/27/91/633542791.db2.gz GLSLDDZBHNMLCN-JTQLQIEISA-N 0 0 263.312 3.367 20 10 CGCDRN CC(C)c1nc(C(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC000827978039 633543592 /nfs/dbraw/zinc/54/35/92/633543592.db2.gz HGPVZGUTSRTDBW-JTQLQIEISA-N 0 0 290.388 3.463 20 10 CGCDRN CC(C)[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000828067465 633555307 /nfs/dbraw/zinc/55/53/07/633555307.db2.gz BWIFPYUENOMLFY-LLVKDONJSA-N 0 0 253.367 3.104 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cn(C)nc2C)cc1 ZINC000828195035 633583879 /nfs/dbraw/zinc/58/38/79/633583879.db2.gz YYMXZVFOIUJBKT-UHFFFAOYSA-N 0 0 273.380 3.154 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1O ZINC000828535265 633625813 /nfs/dbraw/zinc/62/58/13/633625813.db2.gz QKYBZLCJBKADKU-YIYPIFLZSA-N 0 0 273.376 3.396 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200309 633722764 /nfs/dbraw/zinc/72/27/64/633722764.db2.gz ABHONYMSZYEJIY-QWHCGFSZSA-N 0 0 273.376 3.451 20 10 CGCDRN CC(C)c1ncc(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871202796 633723334 /nfs/dbraw/zinc/72/33/34/633723334.db2.gz GJHKEDYDQRPGAV-UHFFFAOYSA-N 0 0 288.372 3.128 20 10 CGCDRN O=C(c1sccc1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871200868 633723821 /nfs/dbraw/zinc/72/38/21/633723821.db2.gz LAPCHDHWZMCZEQ-UHFFFAOYSA-N 0 0 285.368 3.487 20 10 CGCDRN O=C([C@@H]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC000871204088 633724584 /nfs/dbraw/zinc/72/45/84/633724584.db2.gz BLUMTTNTEWVHDE-OAHLLOKOSA-N 0 0 293.366 3.040 20 10 CGCDRN CC/C(C)=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000829816562 633797862 /nfs/dbraw/zinc/79/78/62/633797862.db2.gz DDEFCBRWXZWYLV-YLSINNKHSA-N 0 0 260.381 3.286 20 10 CGCDRN O=C(NC1(Cc2ccccc2)CCC1)C1=CC(=O)CS1 ZINC000830193028 633837608 /nfs/dbraw/zinc/83/76/08/633837608.db2.gz VPUCHIDRQRQEEJ-UHFFFAOYSA-N 0 0 287.384 3.349 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000830558927 633871089 /nfs/dbraw/zinc/87/10/89/633871089.db2.gz DQORTAXNCIDCAZ-NUEKZKHPSA-N 0 0 299.414 3.323 20 10 CGCDRN CCCOc1ccc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)cc1C ZINC000871871086 633904511 /nfs/dbraw/zinc/90/45/11/633904511.db2.gz CEBKUASICXBRRS-HNNXBMFYSA-N 0 0 293.407 3.230 20 10 CGCDRN CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000831953194 634017859 /nfs/dbraw/zinc/01/78/59/634017859.db2.gz WITSKEQSOCRKEP-BBRMVZONSA-N 0 0 274.408 3.239 20 10 CGCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000846185429 636155701 /nfs/dbraw/zinc/15/57/01/636155701.db2.gz WMEGKPISQBWEBL-BHDSKKPTSA-N 0 0 287.350 3.118 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000846211441 636159513 /nfs/dbraw/zinc/15/95/13/636159513.db2.gz FVPHRHGDWIRFHS-JTQLQIEISA-N 0 0 276.311 3.246 20 10 CGCDRN CC(C)[C@@H]1N(C(=O)C2=CC(=O)CS2)CC12CCC2 ZINC000832484211 634064961 /nfs/dbraw/zinc/06/49/61/634064961.db2.gz QSALAVWTEIIFHO-LBPRGKRZSA-N 0 0 265.378 3.104 20 10 CGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@@H]1c1cccnc1 ZINC000832487900 634065029 /nfs/dbraw/zinc/06/50/29/634065029.db2.gz AZVIWKGDOBLAEE-CYBMUJFWSA-N 0 0 288.372 3.072 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](c2ccccc2)C1 ZINC000832826141 634101371 /nfs/dbraw/zinc/10/13/71/634101371.db2.gz CDAMMOLTWOUDGN-ZDUSSCGKSA-N 0 0 287.384 3.474 20 10 CGCDRN Cc1ccccc1CCN(C)C(=O)C1=CC(=O)CS1 ZINC000833443133 634121209 /nfs/dbraw/zinc/12/12/09/634121209.db2.gz NDJVSRPYCJUWKL-UHFFFAOYSA-N 0 0 275.373 3.077 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CC12CCC2)c1ccc(N(C)C)cc1 ZINC000872976635 634226364 /nfs/dbraw/zinc/22/63/64/634226364.db2.gz GVHIEVMKVQBXPT-IUODEOHRSA-N 0 0 287.407 3.055 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834892105 634269887 /nfs/dbraw/zinc/26/98/87/634269887.db2.gz AYOQTJYEMSCMKA-ZDMBXUJBSA-N 0 0 293.317 3.224 20 10 CGCDRN Cc1nccnc1[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000873186770 634274435 /nfs/dbraw/zinc/27/44/35/634274435.db2.gz FGWIBBKSPNURLB-VIFPVBQESA-N 0 0 295.745 3.134 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(Cl)c(Cl)cc1[O-] ZINC000834916438 634287282 /nfs/dbraw/zinc/28/72/82/634287282.db2.gz YQFCVUYPKHCJLI-NZXMKCKXSA-N 0 0 290.190 3.263 20 10 CGCDRN CN(C)c1ccc(/C=C/CN(CC(F)F)C2CC2)cc1 ZINC000835027500 634326059 /nfs/dbraw/zinc/32/60/59/634326059.db2.gz FJMBVXQSKGXZEN-ONEGZZNKSA-N 0 0 280.362 3.495 20 10 CGCDRN CCc1cc(NC/C=C\c2ccc(N(C)C)cc2)n(C)n1 ZINC000835044313 634331320 /nfs/dbraw/zinc/33/13/20/634331320.db2.gz JELVZMXJQJGYTM-SREVYHEPSA-N 0 0 284.407 3.174 20 10 CGCDRN CC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(F)F ZINC000835055347 634339356 /nfs/dbraw/zinc/33/93/56/634339356.db2.gz UXWGMTWUYACJIK-VBROQKIQSA-N 0 0 268.351 3.399 20 10 CGCDRN CC[N@H+](Cc1ccoc1)Cc1ccc(F)c(F)c1[O-] ZINC000876677589 634879590 /nfs/dbraw/zinc/87/95/90/634879590.db2.gz RXDWKENHQRQHQA-UHFFFAOYSA-N 0 0 267.275 3.286 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(N)cc1 ZINC000837303016 634881593 /nfs/dbraw/zinc/88/15/93/634881593.db2.gz QKGFISYMMXPZOQ-OCCSQVGLSA-N 0 0 260.381 3.101 20 10 CGCDRN CSCC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1O ZINC000876753939 634892720 /nfs/dbraw/zinc/89/27/20/634892720.db2.gz KTUDXHANFONCIU-GFCCVEGCSA-N 0 0 253.411 3.274 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877075787 634973926 /nfs/dbraw/zinc/97/39/26/634973926.db2.gz HLFFIGBIRLHPLZ-UONOGXRCSA-N 0 0 286.400 3.405 20 10 CGCDRN COc1cccc([C@H](C)CC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877077692 634975087 /nfs/dbraw/zinc/97/50/87/634975087.db2.gz RCSGXYUMDUMCJM-CYBMUJFWSA-N 0 0 298.386 3.434 20 10 CGCDRN C[C@@H]1CCC[C@H](CC(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078284 634975727 /nfs/dbraw/zinc/97/57/27/634975727.db2.gz KYZHZZOARDRDQG-OLZOCXBDSA-N 0 0 260.381 3.448 20 10 CGCDRN Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c(O)c1 ZINC000877194694 635011777 /nfs/dbraw/zinc/01/17/77/635011777.db2.gz CHXZKUFMOWCPMJ-INIZCTEOSA-N 0 0 282.387 3.160 20 10 CGCDRN CO[C@H]1Cc2ccc(NCc3c(C)cccc3O)cc2C1 ZINC000877307525 635022172 /nfs/dbraw/zinc/02/21/72/635022172.db2.gz IHNFKCWOFYJGAM-INIZCTEOSA-N 0 0 283.371 3.426 20 10 CGCDRN CN(C(=O)c1cccc(O)c1O)C1CCC(C)(C)CC1 ZINC000126483616 635031813 /nfs/dbraw/zinc/03/18/13/635031813.db2.gz STMBKCUMAJDOBA-UHFFFAOYSA-N 0 0 277.364 3.139 20 10 CGCDRN CCN(C)c1ccc([C@H](C)NCc2ccn(CC)n2)cc1 ZINC000840839834 635062195 /nfs/dbraw/zinc/06/21/95/635062195.db2.gz UYEVVOIFJOONLW-AWEZNQCLSA-N 0 0 286.423 3.210 20 10 CGCDRN Cc1csc(CNCc2c(O)cc(C)cc2Cl)n1 ZINC000840875619 635071088 /nfs/dbraw/zinc/07/10/88/635071088.db2.gz PMJLHUGFUUXNGP-UHFFFAOYSA-N 0 0 282.796 3.409 20 10 CGCDRN Cc1cc(O)c(CNCc2nccs2)c(Cl)c1 ZINC000840879276 635072196 /nfs/dbraw/zinc/07/21/96/635072196.db2.gz DGZLDSHGRSUICE-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN COC1([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000840883949 635072886 /nfs/dbraw/zinc/07/28/86/635072886.db2.gz HTTUDTWHPBXOQC-UWVGGRQHSA-N 0 0 285.334 3.279 20 10 CGCDRN [O-]c1c(C[N@H+](Cc2cccnc2)C2CC2)ccc(F)c1F ZINC000877529806 635073214 /nfs/dbraw/zinc/07/32/14/635073214.db2.gz ASGNQZOQSJSKAB-UHFFFAOYSA-N 0 0 290.313 3.230 20 10 CGCDRN CC[C@@H](N[C@H](C)c1csnn1)c1ccc(C)cc1O ZINC000840885307 635074343 /nfs/dbraw/zinc/07/43/43/635074343.db2.gz BKAZZOSAZSICCL-ZYHUDNBSSA-N 0 0 277.393 3.354 20 10 CGCDRN Cc1ccc(NCc2ccc(N(C)C)cc2C)cc1C(N)=O ZINC000840928232 635083986 /nfs/dbraw/zinc/08/39/86/635083986.db2.gz YWQQMIPRUAAADZ-UHFFFAOYSA-N 0 0 297.402 3.080 20 10 CGCDRN CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877565658 635094235 /nfs/dbraw/zinc/09/42/35/635094235.db2.gz MGGOFKUFWZGMBH-SMDDNHRTSA-N 0 0 299.361 3.211 20 10 CGCDRN CC(C)(C)C1=CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841299135 635149933 /nfs/dbraw/zinc/14/99/33/635149933.db2.gz VHGLMDSXXGHYHX-UHFFFAOYSA-N 0 0 273.380 3.479 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000841298650 635149942 /nfs/dbraw/zinc/14/99/42/635149942.db2.gz CJNLQBANMBLBOC-YWPYICTPSA-N 0 0 273.380 3.359 20 10 CGCDRN COCc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703019 635153957 /nfs/dbraw/zinc/15/39/57/635153957.db2.gz OTEZPLGIERWGAY-UHFFFAOYSA-N 0 0 269.344 3.054 20 10 CGCDRN Cc1cccc(CN2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC000877706009 635157314 /nfs/dbraw/zinc/15/73/14/635157314.db2.gz DFUNDBCBZUQJPM-CYBMUJFWSA-N 0 0 296.370 3.043 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000877778318 635200976 /nfs/dbraw/zinc/20/09/76/635200976.db2.gz MKVBPIMATQXHBP-GFCCVEGCSA-N 0 0 295.745 3.006 20 10 CGCDRN CC(C)(O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877796220 635206211 /nfs/dbraw/zinc/20/62/11/635206211.db2.gz ADBNDLGEXMFZMP-GFCCVEGCSA-N 0 0 283.799 3.029 20 10 CGCDRN Cc1noc(CCC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841747400 635223691 /nfs/dbraw/zinc/22/36/91/635223691.db2.gz FTLUARCDJAVWGY-VIFPVBQESA-N 0 0 295.770 3.020 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(Cl)cc1[O-] ZINC000841754838 635228342 /nfs/dbraw/zinc/22/83/42/635228342.db2.gz MAPKCBJSNPGNFX-GARJFASQSA-N 0 0 271.788 3.103 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841755490 635229993 /nfs/dbraw/zinc/22/99/93/635229993.db2.gz QFPYAVZWLLBHOP-GMXVVIOVSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccncc1)c1ccc(Cl)cc1[O-] ZINC000841757937 635231371 /nfs/dbraw/zinc/23/13/71/635231371.db2.gz IWOCJTFJUBKCBE-LLVKDONJSA-N 0 0 276.767 3.334 20 10 CGCDRN C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757135 635232220 /nfs/dbraw/zinc/23/22/20/635232220.db2.gz MLXGFDWDPGHTIC-GHMZBOCLSA-N 0 0 271.788 3.105 20 10 CGCDRN COc1ccc(C[NH2+][C@H](C)CCC[C@H](C)C(=O)[O-])cc1C ZINC000841794822 635236980 /nfs/dbraw/zinc/23/69/80/635236980.db2.gz JVDXHNSRUVJJEY-GXTWGEPZSA-N 0 0 293.407 3.373 20 10 CGCDRN CC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841911669 635251413 /nfs/dbraw/zinc/25/14/13/635251413.db2.gz CQLZZSNLMQDGQG-MRXNPFEDSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962455 635253135 /nfs/dbraw/zinc/25/31/35/635253135.db2.gz QABVYLOTAXXZHG-XJKSGUPXSA-N 0 0 289.423 3.031 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)nnn3C)c1 ZINC000842899456 635509752 /nfs/dbraw/zinc/50/97/52/635509752.db2.gz AZPSJVHANMYWHP-NSHDSACASA-N 0 0 282.347 3.155 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)nnn3C)c(O)c1C ZINC000842903274 635511003 /nfs/dbraw/zinc/51/10/03/635511003.db2.gz ZKZWOPKOLJOLAM-GFCCVEGCSA-N 0 0 296.374 3.464 20 10 CGCDRN CC[C@H](N[C@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000842925342 635512937 /nfs/dbraw/zinc/51/29/37/635512937.db2.gz ISWVRTRTJAAYRU-MFKMUULPSA-N 0 0 297.370 3.302 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(F)cc1[O-] ZINC000842930281 635514660 /nfs/dbraw/zinc/51/46/60/635514660.db2.gz TVZKOAKKOPGULP-XDTLVQLUSA-N 0 0 269.385 3.466 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]cc1C1CC1 ZINC000878864323 635645177 /nfs/dbraw/zinc/64/51/77/635645177.db2.gz YGFFQGOYKPBSAN-UHFFFAOYSA-N 0 0 297.402 3.197 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@H]2CCS[C@H]2C)c1O ZINC000843433779 635674435 /nfs/dbraw/zinc/67/44/35/635674435.db2.gz CWIRVESLJVTEQR-CABZTGNLSA-N 0 0 271.813 3.338 20 10 CGCDRN Cc1cc(C(=O)N(C)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000844094792 635820872 /nfs/dbraw/zinc/82/08/72/635820872.db2.gz ZCNHHNPIGXXFJS-UHFFFAOYSA-N 0 0 285.391 3.360 20 10 CGCDRN C[C@H](NC(=O)Nc1cc2c(cn1)CCC2)c1ccccc1O ZINC000879675453 635832988 /nfs/dbraw/zinc/83/29/88/635832988.db2.gz MSPSDAWENWKXFL-NSHDSACASA-N 0 0 297.358 3.159 20 10 CGCDRN COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cccnc1 ZINC000880366011 635981924 /nfs/dbraw/zinc/98/19/24/635981924.db2.gz WBLGBGAXJOMHNR-TWGQIWQCSA-N 0 0 294.354 3.083 20 10 CGCDRN COc1ccc(N(C)CC2(SC)CCC2)cc1 ZINC000845997710 636127838 /nfs/dbraw/zinc/12/78/38/636127838.db2.gz DJTLFXFLNZVHAI-UHFFFAOYSA-N 0 0 251.395 3.417 20 10 CGCDRN CC[C@@H]1C[C@H](CN(C)c2ccc(OC)cc2)CCO1 ZINC000845998791 636128453 /nfs/dbraw/zinc/12/84/53/636128453.db2.gz PWVVMSGIAOFJAD-UKRRQHHQSA-N 0 0 263.381 3.337 20 10 CGCDRN COc1cccc([C@H](C)Nc2cc(C)ccn2)c1O ZINC000846160194 636151150 /nfs/dbraw/zinc/15/11/50/636151150.db2.gz UKBJAJUTACFMNV-NSHDSACASA-N 0 0 258.321 3.277 20 10 CGCDRN CC/C(C)=C(\C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472639 636187148 /nfs/dbraw/zinc/18/71/48/636187148.db2.gz CVAVDPUEERMLBD-MDZDMXLPSA-N 0 0 267.756 3.408 20 10 CGCDRN CCC(C)(CC)C(=O)NCc1cc(Cl)ccc1O ZINC000846474011 636187864 /nfs/dbraw/zinc/18/78/64/636187864.db2.gz QEAPHDKJUGNEBE-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000846475740 636188110 /nfs/dbraw/zinc/18/81/10/636188110.db2.gz HWQPIAZUAWWOCH-IMRBUKKESA-N 0 0 279.767 3.098 20 10 CGCDRN CCC1(C(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846477880 636188919 /nfs/dbraw/zinc/18/89/19/636188919.db2.gz WJJFQXNKXWKQAM-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN c1csc(SCCCNc2cc(C3CC3)ncn2)n1 ZINC000881981620 636225587 /nfs/dbraw/zinc/22/55/87/636225587.db2.gz HVWSSOFCUKIMNV-UHFFFAOYSA-N 0 0 292.433 3.405 20 10 CGCDRN Cc1cc(O)c(CNc2cncc(OC(C)C)n2)cc1C ZINC000846776529 636236433 /nfs/dbraw/zinc/23/64/33/636236433.db2.gz FWCPNOCTUVGNSZ-UHFFFAOYSA-N 0 0 287.363 3.198 20 10 CGCDRN COc1ccc(CNC(=O)c2ccccc2C(C)C)c(O)c1 ZINC000846948852 636291875 /nfs/dbraw/zinc/29/18/75/636291875.db2.gz CQXTYHKHRMWWQP-UHFFFAOYSA-N 0 0 299.370 3.454 20 10 CGCDRN C[C@@H](O)CCN(C)c1ccc(-c2nccs2)cc1 ZINC000846995776 636303926 /nfs/dbraw/zinc/30/39/26/636303926.db2.gz PBQVHEVIPCWCMW-LLVKDONJSA-N 0 0 262.378 3.017 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCOC2(CCCC2)C1 ZINC000129712117 636347541 /nfs/dbraw/zinc/34/75/41/636347541.db2.gz LTVBJECESCSAEP-UHFFFAOYSA-N 0 0 281.783 3.191 20 10 CGCDRN CC(C)(C)c1nnc(NCc2cc(Cl)ccc2O)o1 ZINC000882528064 636349506 /nfs/dbraw/zinc/34/95/06/636349506.db2.gz OGSOUFPZCOLMDH-UHFFFAOYSA-N 0 0 281.743 3.338 20 10 CGCDRN C[C@H](C1CC1)n1nccc1NCc1cc(F)cc(F)c1O ZINC000882963005 636481510 /nfs/dbraw/zinc/48/15/10/636481510.db2.gz KOFFCGUCFPHRSA-SECBINFHSA-N 0 0 293.317 3.450 20 10 CGCDRN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882981082 636487155 /nfs/dbraw/zinc/48/71/55/636487155.db2.gz BKGCTWKWUQUOHN-SNVBAGLBSA-N 0 0 293.313 3.097 20 10 CGCDRN Cc1ccc(C(=O)Nc2ncsc2C(C)C)c(O)c1O ZINC000848094608 636528326 /nfs/dbraw/zinc/52/83/26/636528326.db2.gz GFRJPCGLNZYNKO-UHFFFAOYSA-N 0 0 292.360 3.238 20 10 CGCDRN COCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000883085578 636535841 /nfs/dbraw/zinc/53/58/41/636535841.db2.gz VIGKAWAIKYKENA-CYBMUJFWSA-N 0 0 297.301 3.131 20 10 CGCDRN C=C/C=C/CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000883268030 636639340 /nfs/dbraw/zinc/63/93/40/636639340.db2.gz APIVWGJNOFTLON-YEZKRMTDSA-N 0 0 253.292 3.453 20 10 CGCDRN CCc1ccc(NCc2ccc(N3CCOCC3)cc2)nc1 ZINC000883385443 636727984 /nfs/dbraw/zinc/72/79/84/636727984.db2.gz LSQHAXBYOANYTL-UHFFFAOYSA-N 0 0 297.402 3.093 20 10 CGCDRN C[C@@H]1CC(NC(=O)Nc2ccc(N)cc2)C[C@@H](C)C1 ZINC000084979111 636770116 /nfs/dbraw/zinc/77/01/16/636770116.db2.gz JVWWUGFYVLNSER-QWRGUYRKSA-N 0 0 261.369 3.215 20 10 CGCDRN COc1cccc(C[N@H+](C)[C@H](C)C(C)(C)C)c1O ZINC000132568482 636820406 /nfs/dbraw/zinc/82/04/06/636820406.db2.gz VSBJZPULEQAVDP-LLVKDONJSA-N 0 0 251.370 3.267 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N1CC[C@@H](C)C1 ZINC000800001763 636901488 /nfs/dbraw/zinc/90/14/88/636901488.db2.gz MNWLAYIPGVJTSG-CQSZACIVSA-N 0 0 289.423 3.036 20 10 CGCDRN CCN(CC)C(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999031 636923850 /nfs/dbraw/zinc/92/38/50/636923850.db2.gz MPKPEWYEJCSPQT-ZETCQYMHSA-N 0 0 278.830 3.146 20 10 CGCDRN Cc1nnc([C@H](C)Sc2ncc(Cl)s2)o1 ZINC000849999100 636924131 /nfs/dbraw/zinc/92/41/31/636924131.db2.gz NNZYVSZNDUVQNN-BYPYZUCNSA-N 0 0 261.759 3.341 20 10 CGCDRN CCCN1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000850556077 637119900 /nfs/dbraw/zinc/11/99/00/637119900.db2.gz QSQQZGBEWDOLOB-DZGCQCFKSA-N 0 0 280.387 3.056 20 10 CGCDRN CCCN1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000850556083 637120409 /nfs/dbraw/zinc/12/04/09/637120409.db2.gz QSQQZGBEWDOLOB-ZFWWWQNUSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)C1CCC(F)CC1 ZINC000850750602 637145276 /nfs/dbraw/zinc/14/52/76/637145276.db2.gz MDGNFTVGAKINFS-UNXYVOJBSA-N 0 0 279.359 3.307 20 10 CGCDRN FCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000136674203 637409320 /nfs/dbraw/zinc/40/93/20/637409320.db2.gz YPWQUGWJIPYMQU-UHFFFAOYSA-N 0 0 259.271 3.400 20 10 CGCDRN COc1ccc(N(C)Cc2ccsc2)c(OC)c1 ZINC000851864539 637526166 /nfs/dbraw/zinc/52/61/66/637526166.db2.gz DIAHXTIQXVTNKA-UHFFFAOYSA-N 0 0 263.362 3.402 20 10 CGCDRN C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886501755 637543899 /nfs/dbraw/zinc/54/38/99/637543899.db2.gz XKOAZJGFFAHHKI-CHWSQXEVSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1c([O-])cccc1F ZINC000886532399 637557486 /nfs/dbraw/zinc/55/74/86/637557486.db2.gz ILCXOLOSIBTRJV-TZCMFKBTSA-N 0 0 293.382 3.386 20 10 CGCDRN Cc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000851951182 637558003 /nfs/dbraw/zinc/55/80/03/637558003.db2.gz VSEHMYYNULSVHT-LLVKDONJSA-N 0 0 273.380 3.208 20 10 CGCDRN CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886542558 637567854 /nfs/dbraw/zinc/56/78/54/637567854.db2.gz BQYPAMGVMPUGLC-HUBLWGQQSA-N 0 0 281.371 3.386 20 10 CGCDRN Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886549117 637575970 /nfs/dbraw/zinc/57/59/70/637575970.db2.gz BTCMDXCWQWMSMN-ZYHUDNBSSA-N 0 0 295.379 3.285 20 10 CGCDRN CC(C)SCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886609260 637603860 /nfs/dbraw/zinc/60/38/60/637603860.db2.gz PPEZNDRYRYAXBN-JTQLQIEISA-N 0 0 257.374 3.324 20 10 CGCDRN C[C@@H](NCc1nnc(C2CC2)s1)c1c(O)cccc1F ZINC000886627196 637616375 /nfs/dbraw/zinc/61/63/75/637616375.db2.gz VUGXSTYASVJVHS-MRVPVSSYSA-N 0 0 293.367 3.111 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1c([O-])cccc1F ZINC000886638495 637623021 /nfs/dbraw/zinc/62/30/21/637623021.db2.gz WARDXTGCRQJDCW-PRHODGIISA-N 0 0 259.271 3.227 20 10 CGCDRN COCC(C)(C)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886649771 637629536 /nfs/dbraw/zinc/62/95/36/637629536.db2.gz IILDDTNEKCOSNW-NSHDSACASA-N 0 0 269.360 3.245 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ccnc(C(C)C)n2)c1 ZINC000110540759 637633282 /nfs/dbraw/zinc/63/32/82/637633282.db2.gz UNLIIWCTJRLWTK-NSHDSACASA-N 0 0 287.363 3.487 20 10 CGCDRN CCCc1nccnc1NCc1ccc(OCC)cc1O ZINC000853028486 637738601 /nfs/dbraw/zinc/73/86/01/637738601.db2.gz KYKSTVANHYCVHI-UHFFFAOYSA-N 0 0 287.363 3.146 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000111398333 637861327 /nfs/dbraw/zinc/86/13/27/637861327.db2.gz GKVMJNPBGWEZDG-CZUORRHYSA-N 0 0 298.342 3.194 20 10 CGCDRN c1ncc(COc2ccc(N3CCCC3)cc2)s1 ZINC000853674727 637889730 /nfs/dbraw/zinc/88/97/30/637889730.db2.gz HLLBYARDNUXPCM-UHFFFAOYSA-N 0 0 260.362 3.322 20 10 CGCDRN O=C(NC1CCC2(CC2(F)F)CC1)C1=CC(=O)CS1 ZINC000855961228 638284054 /nfs/dbraw/zinc/28/40/54/638284054.db2.gz DXVMCRYPMYHMRN-UHFFFAOYSA-N 0 0 287.331 3.152 20 10 CGCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1cn2c(n1)CCCC2 ZINC000924900707 638422300 /nfs/dbraw/zinc/42/23/00/638422300.db2.gz NXDAGDXMXRQOEK-CYBMUJFWSA-N 0 0 297.402 3.005 20 10 CGCDRN CCOc1cncc(CN(C)c2ccc(OC)cc2)c1 ZINC000857049026 638442008 /nfs/dbraw/zinc/44/20/08/638442008.db2.gz FLSWTEHCZYLBSQ-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccc(F)nn2)cc1 ZINC000857224835 638479018 /nfs/dbraw/zinc/47/90/18/638479018.db2.gz DDWTWNKXNNHLHS-UHFFFAOYSA-N 0 0 274.343 3.074 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1C=CCC1 ZINC000115282269 638515168 /nfs/dbraw/zinc/51/51/68/638515168.db2.gz UABXXTAZNVRRSU-AWEZNQCLSA-N 0 0 272.392 3.034 20 10 CGCDRN CCCC[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C ZINC000857714420 638558219 /nfs/dbraw/zinc/55/82/19/638558219.db2.gz OAHYXGRNJZVANJ-CYBMUJFWSA-N 0 0 279.380 3.176 20 10 CGCDRN CC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115855812 638627224 /nfs/dbraw/zinc/62/72/24/638627224.db2.gz OXALHFGEMKYUED-CYBMUJFWSA-N 0 0 277.412 3.001 20 10 CGCDRN Cc1ncsc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858129983 638639543 /nfs/dbraw/zinc/63/95/43/638639543.db2.gz TVNPKCOIMJXSEB-UHFFFAOYSA-N 0 0 297.374 3.086 20 10 CGCDRN Cc1c[nH]c(CNCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000858293904 638674241 /nfs/dbraw/zinc/67/42/41/638674241.db2.gz AEMZTHHFBLVOMT-UHFFFAOYSA-N 0 0 294.402 3.415 20 10 CGCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccns1 ZINC000858317760 638680285 /nfs/dbraw/zinc/68/02/85/638680285.db2.gz BFRWOSMCPGVVIW-VIFPVBQESA-N 0 0 297.374 3.338 20 10 CGCDRN CCN(CC)c1ccc(CNc2nccnc2F)cc1 ZINC000858352509 638690037 /nfs/dbraw/zinc/69/00/37/638690037.db2.gz AQEPIPPLYKYYMT-UHFFFAOYSA-N 0 0 274.343 3.074 20 10 CGCDRN CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000858485997 638737657 /nfs/dbraw/zinc/73/76/57/638737657.db2.gz RKRMBOUAOHQXGW-PWSUYJOCSA-N 0 0 287.350 3.118 20 10 CGCDRN O=C(CCCc1ccsc1)NCc1c(O)cccc1F ZINC000928707578 638889309 /nfs/dbraw/zinc/88/93/09/638889309.db2.gz FSSHMRWQMCLZCX-UHFFFAOYSA-N 0 0 293.363 3.232 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nn(C)cc2C)cc1 ZINC000929913744 638961534 /nfs/dbraw/zinc/96/15/34/638961534.db2.gz RUCLLSWLXWTFIY-UHFFFAOYSA-N 0 0 273.380 3.154 20 10 CGCDRN Cc1ccccc1COC(=O)NCc1ccc(N(C)C)cc1 ZINC000858882551 639035886 /nfs/dbraw/zinc/03/58/86/639035886.db2.gz GTFQDCMYFNMRQI-UHFFFAOYSA-N 0 0 298.386 3.487 20 10 CGCDRN CCN(Cc1ccncc1C)c1ccc(OC)cc1 ZINC000859176419 639100115 /nfs/dbraw/zinc/10/01/15/639100115.db2.gz VLMRXQVHLPTUAG-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)C34CC(C3)C4)cc2)CC1 ZINC000859283533 639123979 /nfs/dbraw/zinc/12/39/79/639123979.db2.gz ZDBBYOTWMACSNJ-UHFFFAOYSA-N 0 0 298.430 3.339 20 10 CGCDRN Cc1cc(CN[C@H](c2ncccn2)C2CC2)ccc1N(C)C ZINC000932355036 639320372 /nfs/dbraw/zinc/32/03/72/639320372.db2.gz ADVDMCYRXGQWMB-KRWDZBQOSA-N 0 0 296.418 3.092 20 10 CGCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862024524 639634765 /nfs/dbraw/zinc/63/47/65/639634765.db2.gz ABTBUCBLUFSZPZ-WFASDCNBSA-N 0 0 298.386 3.383 20 10 CGCDRN CCCC1(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862027231 639636115 /nfs/dbraw/zinc/63/61/15/639636115.db2.gz NONHSLNNPRXDPP-UHFFFAOYSA-N 0 0 284.359 3.137 20 10 CGCDRN COC1(C(=O)N(C)Cc2ccccc2O)CCCCCC1 ZINC000934705307 639662874 /nfs/dbraw/zinc/66/28/74/639662874.db2.gz VJWAXZVVGSLFLE-UHFFFAOYSA-N 0 0 291.391 3.090 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(C)cn1 ZINC000934706584 639663589 /nfs/dbraw/zinc/66/35/89/639663589.db2.gz OCGZJGJIYNGNCZ-UHFFFAOYSA-N 0 0 298.386 3.456 20 10 CGCDRN CCCc1ccccc1C(=O)NCc1ccc(OC)cc1O ZINC000935771444 639857080 /nfs/dbraw/zinc/85/70/80/639857080.db2.gz SQJDNQWKUSHEKU-UHFFFAOYSA-N 0 0 299.370 3.283 20 10 CGCDRN CN1C(=O)/C(=C\c2cnc(C3CCC3)s2)SC1=S ZINC000155369505 639932998 /nfs/dbraw/zinc/93/29/98/639932998.db2.gz FQCBEVAKPLQMLW-WEVVVXLNSA-N 0 0 296.442 3.242 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C=C2CCC(C)CC2)c1 ZINC000155994575 639961076 /nfs/dbraw/zinc/96/10/76/639961076.db2.gz NMMZYCKIYAQKOZ-UHFFFAOYSA-N 0 0 289.375 3.154 20 10 CGCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000075487763 640138946 /nfs/dbraw/zinc/13/89/46/640138946.db2.gz ZPOHTMDPGALJFS-KBPBESRZSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(C)C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000189467180 640194004 /nfs/dbraw/zinc/19/40/04/640194004.db2.gz CWPGTRFYKGITBX-UHFFFAOYSA-N 0 0 266.341 3.072 20 10 CGCDRN CC[C@H](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000189557826 640199328 /nfs/dbraw/zinc/19/93/28/640199328.db2.gz MUQCMBKMUHOCHN-LBPRGKRZSA-N 0 0 275.392 3.323 20 10 CGCDRN O=[N+]([O-])c1cnc(SCc2ccccc2)s1 ZINC000190300619 640239204 /nfs/dbraw/zinc/23/92/04/640239204.db2.gz HKBYQWBKSCQMGS-UHFFFAOYSA-N 0 0 252.320 3.344 20 10 CGCDRN CCc1cc(O)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000191071933 640287975 /nfs/dbraw/zinc/28/79/75/640287975.db2.gz UPDAEHHOFAGDSA-XBXARRHUSA-N 0 0 299.326 3.018 20 10 CGCDRN N#Cc1cccc(Sc2ncc([N+](=O)[O-])s2)c1 ZINC000192486987 640374515 /nfs/dbraw/zinc/37/45/15/640374515.db2.gz ABIRITDNIMHVHW-UHFFFAOYSA-N 0 0 263.303 3.074 20 10 CGCDRN Cc1cc(C(=O)NCCC2CC2)c(C)n1-c1ccccn1 ZINC000081005856 640514576 /nfs/dbraw/zinc/51/45/76/640514576.db2.gz QWOWMNAQBULROZ-UHFFFAOYSA-N 0 0 283.375 3.019 20 10 CGCDRN CC[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000194457598 640534080 /nfs/dbraw/zinc/53/40/80/640534080.db2.gz PCWJCZVBESAJME-ZIAGYGMSSA-N 0 0 291.439 3.329 20 10 CGCDRN CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000245841807 640642413 /nfs/dbraw/zinc/64/24/13/640642413.db2.gz ZRJGDZYTBQZKFE-SDDRHHMPSA-N 0 0 294.395 3.196 20 10 CGCDRN CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000248518206 640765309 /nfs/dbraw/zinc/76/53/09/640765309.db2.gz PTSKSGUZFRNUJB-CABCVRRESA-N 0 0 276.424 3.226 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC=CCC1 ZINC000115281946 641017763 /nfs/dbraw/zinc/01/77/63/641017763.db2.gz LGLWGYDTXYOXAT-CQSZACIVSA-N 0 0 272.392 3.034 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1c(O)cccc1F ZINC001156170126 805661532 /nfs/dbraw/zinc/66/15/32/805661532.db2.gz HMCNTCPITQGDES-NEPJUHHUSA-N 0 0 279.355 3.364 20 10 CGCDRN COc1cc(C)cnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156921049 805753078 /nfs/dbraw/zinc/75/30/78/805753078.db2.gz QUWUFZAXOBQZSP-UHFFFAOYSA-N 0 0 285.391 3.101 20 10 CGCDRN Cn1c(-c2cc(O)c(O)c(O)c2)nc2cccc(Cl)c21 ZINC001251248254 805872197 /nfs/dbraw/zinc/87/21/97/805872197.db2.gz HUGFZPMYIFXJDY-UHFFFAOYSA-N 0 0 290.706 3.011 20 10 CGCDRN CSc1ccc2[nH]c(-c3cc(O)c(O)cc3O)nc2c1 ZINC001251355444 805886089 /nfs/dbraw/zinc/88/60/89/805886089.db2.gz LMRQTLIEFJBDNR-UHFFFAOYSA-N 0 0 288.328 3.069 20 10 CGCDRN Cc1cc(Cl)c(C)c(NCc2ccc(O)c(O)c2)n1 ZINC001158995947 806028654 /nfs/dbraw/zinc/02/86/54/806028654.db2.gz SYEUSGAAXBQQAV-UHFFFAOYSA-N 0 0 278.739 3.375 20 10 CGCDRN COC(=O)[C@@H](O)CNc1ccc(/N=N/c2ccccc2)cc1 ZINC001252426140 806046650 /nfs/dbraw/zinc/04/66/50/806046650.db2.gz BKKSKIHURWHBBG-MJWGMMHASA-N 0 0 299.330 3.048 20 10 CGCDRN COc1ccc(Br)c(Nc2ccc(N)cc2)n1 ZINC001159253952 806066291 /nfs/dbraw/zinc/06/62/91/806066291.db2.gz MLYZSLPNWQUPTG-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN CCc1ccc(-c2nnc(-c3cc(O)c(O)c(O)c3)o2)cc1 ZINC001252953049 806140038 /nfs/dbraw/zinc/14/00/38/806140038.db2.gz DEGYJOOWEUQYKK-UHFFFAOYSA-N 0 0 298.298 3.083 20 10 CGCDRN Nc1nc2ccc(Nc3ccc(N)cc3)cc2s1 ZINC001159822357 806180130 /nfs/dbraw/zinc/18/01/30/806180130.db2.gz ZXNZNEYNTXEMCK-UHFFFAOYSA-N 0 0 256.334 3.204 20 10 CGCDRN O=C(NCCCC1CCC1)NCc1cccc(Cl)c1O ZINC001253214873 806183103 /nfs/dbraw/zinc/18/31/03/806183103.db2.gz QHNXUBJJEBFGPY-UHFFFAOYSA-N 0 0 296.798 3.425 20 10 CGCDRN COc1ccc(Nc2ccc3c(c2)CCCN3)c(N)c1 ZINC001159912025 806196675 /nfs/dbraw/zinc/19/66/75/806196675.db2.gz FPBQADQVRYDITA-UHFFFAOYSA-N 0 0 269.348 3.379 20 10 CGCDRN CCOC(=O)c1ccc(Nc2ccc(N)cc2)cc1F ZINC001160033372 806216575 /nfs/dbraw/zinc/21/65/75/806216575.db2.gz IEPNNNPOEUWVTM-UHFFFAOYSA-N 0 0 274.295 3.328 20 10 CGCDRN Cc1nc(NCc2cc3ccccc3cc2O)ncc1F ZINC001160206076 806235107 /nfs/dbraw/zinc/23/51/07/806235107.db2.gz FBNFFUHLXPBUNR-UHFFFAOYSA-N 0 0 283.306 3.395 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1c(F)ccc(O)c1O ZINC001160796069 806304680 /nfs/dbraw/zinc/30/46/80/806304680.db2.gz WHVGTGGFHXTRCI-GHMZBOCLSA-N 0 0 295.354 3.183 20 10 CGCDRN CC(C)Oc1cccc(NCc2ccc(N)cc2)n1 ZINC001162785354 806664997 /nfs/dbraw/zinc/66/49/97/806664997.db2.gz AUTTZDAILRVDNI-UHFFFAOYSA-N 0 0 257.337 3.063 20 10 CGCDRN COc1ccc2nc(NCc3ccc(N)cc3)c(C)nc2c1 ZINC001162787275 806665938 /nfs/dbraw/zinc/66/59/38/806665938.db2.gz HZKBTHKHNKHXHP-UHFFFAOYSA-N 0 0 294.358 3.141 20 10 CGCDRN Nc1ccc(CNc2nccc3c4c([nH]c32)CCC4)cc1 ZINC001162790660 806666752 /nfs/dbraw/zinc/66/67/52/806666752.db2.gz VGVDJRMXKCOMMX-UHFFFAOYSA-N 0 0 278.359 3.246 20 10 CGCDRN COc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000037185547 798862144 /nfs/dbraw/zinc/86/21/44/798862144.db2.gz LGGBQGPIGPHEFI-GFCCVEGCSA-N 0 0 271.364 3.329 20 10 CGCDRN CCC[C@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037328806 798865930 /nfs/dbraw/zinc/86/59/30/798865930.db2.gz DNNWEUMHDKGFAS-JTQLQIEISA-N 0 0 267.344 3.354 20 10 CGCDRN COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091862312 798954809 /nfs/dbraw/zinc/95/48/09/798954809.db2.gz OFASSZNOXWRUIA-LLVKDONJSA-N 0 0 290.190 3.310 20 10 CGCDRN Nc1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 ZINC000310636779 799222429 /nfs/dbraw/zinc/22/24/29/799222429.db2.gz ARDGRKYBGSMISJ-UHFFFAOYSA-N 0 0 253.227 3.426 20 10 CGCDRN CC[C@@H](NC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000382817181 799397906 /nfs/dbraw/zinc/39/79/06/799397906.db2.gz FPMDXQXUFAVBIH-CQSZACIVSA-N 0 0 261.369 3.359 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC000386357079 799435446 /nfs/dbraw/zinc/43/54/46/799435446.db2.gz LNENZYVNMJCMRM-GWCFXTLKSA-N 0 0 269.772 3.093 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC12CCCC2 ZINC000386988832 799441958 /nfs/dbraw/zinc/44/19/58/799441958.db2.gz JSTINQVFJNYUIW-LBPRGKRZSA-N 0 0 251.757 3.468 20 10 CGCDRN O=C(Cc1cccc2ccccc21)NCc1ccccc1O ZINC000388363081 799453125 /nfs/dbraw/zinc/45/31/25/799453125.db2.gz SJFLDENEEYUHCI-UHFFFAOYSA-N 0 0 291.350 3.404 20 10 CGCDRN Cc1csc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000393405917 799486651 /nfs/dbraw/zinc/48/66/51/799486651.db2.gz HMGNWPHAHIWSIN-UHFFFAOYSA-N 0 0 261.346 3.034 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)O1 ZINC000394965889 799501736 /nfs/dbraw/zinc/50/17/36/799501736.db2.gz PVGBZWVTRFURKQ-DNSOKLHBSA-N 0 0 290.190 3.355 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](CC)CO1 ZINC000403891380 799571892 /nfs/dbraw/zinc/57/18/92/799571892.db2.gz WZFOLKDVBCXFAO-CHWSQXEVSA-N 0 0 283.799 3.435 20 10 CGCDRN CCc1cccc(CN(CC(F)F)C(C)C)c1O ZINC000692110045 799791367 /nfs/dbraw/zinc/79/13/67/799791367.db2.gz RZCOGIOWFJDNRN-UHFFFAOYSA-N 0 0 257.324 3.430 20 10 CGCDRN CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000701660294 799890594 /nfs/dbraw/zinc/89/05/94/799890594.db2.gz BSBHUNLGPAEXPO-LLVKDONJSA-N 0 0 290.190 3.310 20 10 CGCDRN C[C@]1([NH2+]Cc2cc(F)cc(F)c2[O-])CC=CCC1 ZINC000708480398 799990045 /nfs/dbraw/zinc/99/00/45/799990045.db2.gz HVNXMLYTIZFZBK-AWEZNQCLSA-N 0 0 253.292 3.259 20 10 CGCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708516561 799990344 /nfs/dbraw/zinc/99/03/44/799990344.db2.gz JJHXRCBCFLGXGW-CYBMUJFWSA-N 0 0 255.308 3.195 20 10 CGCDRN C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708548454 799992128 /nfs/dbraw/zinc/99/21/28/799992128.db2.gz FUTLILOKGBVNJR-BXKDBHETSA-N 0 0 255.308 3.339 20 10 CGCDRN C[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708548459 799992175 /nfs/dbraw/zinc/99/21/75/799992175.db2.gz FUTLILOKGBVNJR-JOYOIKCWSA-N 0 0 255.308 3.339 20 10 CGCDRN CC(C)(C)[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000709000231 800000362 /nfs/dbraw/zinc/00/03/62/800000362.db2.gz LVCRJGBWXBDFDN-ZDUSSCGKSA-N 0 0 283.799 3.293 20 10 CGCDRN [O-]c1c(C[NH2+]CC[C@H]2CCCS2)ccc(F)c1F ZINC000715641983 800142099 /nfs/dbraw/zinc/14/20/99/800142099.db2.gz HQXZTBGOMMBVRS-SNVBAGLBSA-N 0 0 273.348 3.046 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000715721420 800144157 /nfs/dbraw/zinc/14/41/57/800144157.db2.gz VNPHQCBCIGQNMO-JQWIXIFHSA-N 0 0 269.385 3.468 20 10 CGCDRN CNc1ccccc1NCCc1ccc(OC)c(O)c1 ZINC001163732388 806810959 /nfs/dbraw/zinc/81/09/59/806810959.db2.gz XQWANLFBRIWACZ-UHFFFAOYSA-N 0 0 272.348 3.097 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@H]2CCC=CCCC2)cc1 ZINC000719012175 800228964 /nfs/dbraw/zinc/22/89/64/800228964.db2.gz IFTZORJIRLAEJL-HNNXBMFYSA-N 0 0 272.392 3.064 20 10 CGCDRN Cc1cncc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756782214 800380464 /nfs/dbraw/zinc/38/04/64/800380464.db2.gz AFHXQCQTWRPTJW-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)n1cccc1 ZINC001116348249 802333504 /nfs/dbraw/zinc/33/35/04/802333504.db2.gz SLKAWWRGFAIZSN-OAHLLOKOSA-N 0 0 299.418 3.164 20 10 CGCDRN CCCCCC(=O)Nc1c2nonc2ccc1Cl ZINC001116837323 802417972 /nfs/dbraw/zinc/41/79/72/802417972.db2.gz PCXMBKVZMGNOOC-UHFFFAOYSA-N 0 0 267.716 3.395 20 10 CGCDRN CN(C)c1ccc(CNc2nccnc2C(F)F)cc1 ZINC001117526393 802470083 /nfs/dbraw/zinc/47/00/83/802470083.db2.gz OENODLMRCXTHJH-UHFFFAOYSA-N 0 0 278.306 3.092 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](F)C1 ZINC001117820991 802504004 /nfs/dbraw/zinc/50/40/04/802504004.db2.gz KQPNZEMPMVIOOJ-GFCCVEGCSA-N 0 0 292.379 3.340 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC001118763876 802599652 /nfs/dbraw/zinc/59/96/52/802599652.db2.gz MWXRMYRKNOHNGV-NXEZZACHSA-N 0 0 253.367 3.010 20 10 CGCDRN C[C@@H](NC(=O)c1cnc(C2CC2)s1)c1ccccc1O ZINC001119329832 802650071 /nfs/dbraw/zinc/65/00/71/802650071.db2.gz CEVPNMJJIMYQIE-SECBINFHSA-N 0 0 288.372 3.217 20 10 CGCDRN C[C@H](NC(=O)c1ccc(Cl)[nH]1)c1ccc(N(C)C)cc1 ZINC001123692056 802964103 /nfs/dbraw/zinc/96/41/03/802964103.db2.gz NJRZHNOHGIOXAL-JTQLQIEISA-N 0 0 291.782 3.225 20 10 CGCDRN COCCN(C(=O)/C=C\c1cncc(C)c1)c1ccccc1 ZINC001129034025 803214129 /nfs/dbraw/zinc/21/41/29/803214129.db2.gz UXHUKLGUQZTXFT-HJWRWDBZSA-N 0 0 296.370 3.083 20 10 CGCDRN CCn1ccc(-c2cnc(OC(C)C)c(C)c2)cc1=O ZINC001244689926 803497199 /nfs/dbraw/zinc/49/71/99/803497199.db2.gz ZVCZYEIFGBHKMK-UHFFFAOYSA-N 0 0 272.348 3.026 20 10 CGCDRN Cc1cc(-c2nccn2C)c(-c2cccc(Cl)c2N)nn1 ZINC001245178991 803657776 /nfs/dbraw/zinc/65/77/76/803657776.db2.gz PCMULLNUONEJLK-UHFFFAOYSA-N 0 0 299.765 3.088 20 10 CGCDRN CC1(C)[C@H](C(=O)NCc2ccccc2O)[C@H]1c1ccccc1 ZINC001137471709 803735595 /nfs/dbraw/zinc/73/55/95/803735595.db2.gz XMADSPWCVBTUPN-SJORKVTESA-N 0 0 295.382 3.448 20 10 CGCDRN Cn1cc(-c2cc(=O)n(C)c3ccccc23)c2ccncc21 ZINC001245493044 803765383 /nfs/dbraw/zinc/76/53/83/803765383.db2.gz QLTROYINQDIVKV-UHFFFAOYSA-N 0 0 289.338 3.092 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001137837505 803779299 /nfs/dbraw/zinc/77/92/99/803779299.db2.gz JMOJICPYICSGDN-AWEZNQCLSA-N 0 0 287.334 3.185 20 10 CGCDRN CC1(C)CCC2(CC[NH+](Cc3c([O-])cccc3F)CC2)O1 ZINC001137839499 803781002 /nfs/dbraw/zinc/78/10/02/803781002.db2.gz AHTUDCOJDMNIMR-UHFFFAOYSA-N 0 0 293.382 3.455 20 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CCCCOC1CN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358167 803901954 /nfs/dbraw/zinc/90/19/54/803901954.db2.gz OVLKQSYCKROGBY-UHFFFAOYSA-N 0 0 288.435 3.070 20 10 CGCDRN CN(Cc1ccccc1O)Cc1cc(F)cnc1Cl ZINC001138895479 804065752 /nfs/dbraw/zinc/06/57/52/804065752.db2.gz IJGUWLCTTYMEQB-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001139127500 804134313 /nfs/dbraw/zinc/13/43/13/804134313.db2.gz XGENSXHENQCSOW-STQMWFEESA-N 0 0 299.370 3.039 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001139685554 804252339 /nfs/dbraw/zinc/25/23/39/804252339.db2.gz NUGLNACBPDTSBN-QWRGUYRKSA-N 0 0 267.319 3.292 20 10 CGCDRN C[C@@H]1c2cccn2CCN1Cc1c(F)ccc(F)c1[O-] ZINC001139685250 804252347 /nfs/dbraw/zinc/25/23/47/804252347.db2.gz CGAOZCILECGGPD-SNVBAGLBSA-N 0 0 278.302 3.049 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC2(CCCC2)C1 ZINC001139684442 804252391 /nfs/dbraw/zinc/25/23/91/804252391.db2.gz UQSYRSURYAJMGX-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(O)ccc1F ZINC001140051742 804359735 /nfs/dbraw/zinc/35/97/35/804359735.db2.gz RDAAWUJRGGZZQT-UHFFFAOYSA-N 0 0 275.323 3.259 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCC[C@@H]1c1ncccn1 ZINC001140342358 804420291 /nfs/dbraw/zinc/42/02/91/804420291.db2.gz GCWRGWRKWSXJES-CYBMUJFWSA-N 0 0 289.766 3.173 20 10 CGCDRN Oc1cc(Cl)ccc1C[NH+]1CCC(F)(F)CC1 ZINC001140461850 804441110 /nfs/dbraw/zinc/44/11/10/804441110.db2.gz VSKFEYSKGDBAAY-UHFFFAOYSA-N 0 0 261.699 3.277 20 10 CGCDRN O=C(COc1ccc(F)cc1)CSc1nccs1 ZINC001165561464 807010251 /nfs/dbraw/zinc/01/02/51/807010251.db2.gz AHYVZHSGXOHSPY-UHFFFAOYSA-N 0 0 283.349 3.022 20 10 CGCDRN Cc1cccc(S(=O)(=O)Nc2c(C)cc(O)cc2C)c1 ZINC001256945752 807014285 /nfs/dbraw/zinc/01/42/85/807014285.db2.gz DTAVZAVLLHNQLJ-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(Cl)c1 ZINC001140922621 804549150 /nfs/dbraw/zinc/54/91/50/804549150.db2.gz WSVPXTHWGJKILA-MRXNPFEDSA-N 0 0 294.826 3.161 20 10 CGCDRN CN(C)c1ccc(CN2CC(F)(C3CC3)C2)c(Cl)c1 ZINC001140921984 804549194 /nfs/dbraw/zinc/54/91/94/804549194.db2.gz YXHARJXBBNOJBA-UHFFFAOYSA-N 0 0 282.790 3.340 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2ccno2)c(Cl)c1 ZINC001140926930 804550739 /nfs/dbraw/zinc/55/07/39/804550739.db2.gz ZNDOWSGJGSAANI-UHFFFAOYSA-N 0 0 279.771 3.026 20 10 CGCDRN Cc1ccc(CN2Cc3cnc(Cl)cc3C2)c(O)c1 ZINC001140953760 804558001 /nfs/dbraw/zinc/55/80/01/804558001.db2.gz GJJXSXQHUDUNBZ-UHFFFAOYSA-N 0 0 274.751 3.265 20 10 CGCDRN CC(=O)[C@@H](C)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256969921 807020606 /nfs/dbraw/zinc/02/06/06/807020606.db2.gz GXTPHBBEOPYGRY-LBPRGKRZSA-N 0 0 295.342 3.295 20 10 CGCDRN CC[N@H+](Cc1ccn2ccnc2c1)Cc1ccccc1O ZINC001141046773 804578981 /nfs/dbraw/zinc/57/89/81/804578981.db2.gz OPLRNGMWCAWYDT-UHFFFAOYSA-N 0 0 281.359 3.062 20 10 CGCDRN CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])CC1CC1 ZINC001142501808 804726481 /nfs/dbraw/zinc/72/64/81/804726481.db2.gz AVTDJABFEQBRCU-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN C[C@]1(F)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509015 804727460 /nfs/dbraw/zinc/72/74/60/804727460.db2.gz TUQAYRKSFVMZPU-AWEZNQCLSA-N 0 0 273.298 3.385 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001142509167 804729266 /nfs/dbraw/zinc/72/92/66/804729266.db2.gz ZHMWGZNQLQVOMA-UHFFFAOYSA-N 0 0 277.261 3.292 20 10 CGCDRN COc1ccc(F)cc1-c1noc(Cc2ccc(N)cc2)n1 ZINC001248184481 804891710 /nfs/dbraw/zinc/89/17/10/804891710.db2.gz WLEKHOJJAFPASS-UHFFFAOYSA-N 0 0 299.305 3.057 20 10 CGCDRN CC1(C)C=Cc2c(O)c(CN3CCCCO3)ccc2O1 ZINC001249224314 805115249 /nfs/dbraw/zinc/11/52/49/805115249.db2.gz XJZSRHKVKXGIEY-UHFFFAOYSA-N 0 0 275.348 3.104 20 10 CGCDRN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)ns1 ZINC001249592040 805185380 /nfs/dbraw/zinc/18/53/80/805185380.db2.gz LGQOYPUSHSNRBK-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN CCOc1c(F)cccc1Nc1cccc(O)c1O ZINC001212537085 815055764 /nfs/dbraw/zinc/05/57/64/815055764.db2.gz WBQOSAAIRVNVKB-UHFFFAOYSA-N 0 0 263.268 3.379 20 10 CGCDRN C[C@@H](NC(=O)c1cccc2c1C(=O)CC2)c1ccccc1O ZINC001151885819 805318741 /nfs/dbraw/zinc/31/87/41/805318741.db2.gz JBSQYMRMZMFILQ-LLVKDONJSA-N 0 0 295.338 3.012 20 10 CGCDRN Cc1cc2cccnc2c(C(=O)NCc2ccccc2O)c1 ZINC001154202204 805438972 /nfs/dbraw/zinc/43/89/72/805438972.db2.gz MCFSIQQJJILWMX-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN CCN(Cc1ccccc1O)c1c(F)nc(F)nc1Cl ZINC001154888640 805505083 /nfs/dbraw/zinc/50/50/83/805505083.db2.gz FTSQIARKSYKFQY-UHFFFAOYSA-N 0 0 299.708 3.140 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(Cl)cc(OC)n1 ZINC001154889818 805505651 /nfs/dbraw/zinc/50/56/51/805505651.db2.gz IEZIGDPGVIMDRI-UHFFFAOYSA-N 0 0 292.766 3.476 20 10 CGCDRN CCN(Cc1ccccc1O)c1cccc(Cl)n1 ZINC001154889936 805505711 /nfs/dbraw/zinc/50/57/11/805505711.db2.gz MFGRBXBMJFOISB-UHFFFAOYSA-N 0 0 262.740 3.467 20 10 CGCDRN CCN(Cc1ccccc1O)c1c(Cl)nccc1OC ZINC001154890691 805506367 /nfs/dbraw/zinc/50/63/67/805506367.db2.gz JYLGABIGMWMZAM-UHFFFAOYSA-N 0 0 292.766 3.476 20 10 CGCDRN Cc1ccc(NCCc2cc(O)c(O)cc2O)c2[nH]ccc21 ZINC001168005213 807299293 /nfs/dbraw/zinc/29/92/93/807299293.db2.gz ALVPUYTUOCWFCA-UHFFFAOYSA-N 0 0 298.342 3.248 20 10 CGCDRN Cc1ccc(NCc2ccc(O)c(O)c2)c2cc[nH]c21 ZINC001169996979 807736598 /nfs/dbraw/zinc/73/65/98/807736598.db2.gz PFRPVFNXPQJJDF-UHFFFAOYSA-N 0 0 268.316 3.500 20 10 CGCDRN CNc1ccccc1NCCC(=O)c1ccccc1 ZINC001170018298 807740118 /nfs/dbraw/zinc/74/01/18/807740118.db2.gz OYTCVQLVDOCWRV-UHFFFAOYSA-N 0 0 254.333 3.413 20 10 CGCDRN CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC001263304243 807945484 /nfs/dbraw/zinc/94/54/84/807945484.db2.gz WPHJJJRYBVQQCP-INIZCTEOSA-N 0 0 282.387 3.154 20 10 CGCDRN C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1O ZINC001171723249 808125249 /nfs/dbraw/zinc/12/52/49/808125249.db2.gz PXGPYCWRDHDLCF-LLVKDONJSA-N 0 0 289.762 3.466 20 10 CGCDRN Cc1ccc(Nc2ccnc3ccccc32)c(O)c1 ZINC001174039207 808838557 /nfs/dbraw/zinc/83/85/57/808838557.db2.gz YVMDIIANKJWQAR-UHFFFAOYSA-N 0 0 250.301 3.414 20 10 CGCDRN Oc1cccc(Nc2ccc(C(F)(F)F)nc2)c1O ZINC001174312235 808948484 /nfs/dbraw/zinc/94/84/84/808948484.db2.gz ZYFGTYGSVKGKJB-UHFFFAOYSA-N 0 0 270.210 3.255 20 10 CGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccsc1 ZINC001278043908 809113133 /nfs/dbraw/zinc/11/31/33/809113133.db2.gz KRAWVLAWVYNMLR-UHFFFAOYSA-N 0 0 299.355 3.383 20 10 CGCDRN COc1cc(F)c(Nc2ccc(N)cc2)cc1F ZINC001174927049 809204100 /nfs/dbraw/zinc/20/41/00/809204100.db2.gz GGOMWAFTZGSODG-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN CCOc1cc(Nc2cccc(O)c2O)ccc1F ZINC001175055501 809255253 /nfs/dbraw/zinc/25/52/53/809255253.db2.gz WCPWWIJEZAODCF-UHFFFAOYSA-N 0 0 263.268 3.379 20 10 CGCDRN CSc1ccc(N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC001293289539 809445403 /nfs/dbraw/zinc/44/54/03/809445403.db2.gz DNKXBFIDBOGOPK-UHFFFAOYSA-N 0 0 279.386 3.452 20 10 CGCDRN C[C@@H](C1CCCCC1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001297399745 809517193 /nfs/dbraw/zinc/51/71/93/809517193.db2.gz BXPXMMMUIMPOSP-LBPRGKRZSA-N 0 0 291.391 3.068 20 10 CGCDRN Cc1ccc(C(=O)NCC2C[C@H](C)C[C@@H](C)C2)c(O)c1O ZINC001300539569 809569977 /nfs/dbraw/zinc/56/99/77/809569977.db2.gz AJQFOUAKEJOJOD-GHMZBOCLSA-N 0 0 291.391 3.208 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc3scnc3c2)cc1 ZINC001175913359 809570726 /nfs/dbraw/zinc/57/07/26/809570726.db2.gz ANBOPIZWXAVZTE-UHFFFAOYSA-N 0 0 285.372 3.009 20 10 CGCDRN COCc1ccc(C)c(N(C)c2ccc(N)cc2)c1 ZINC001213580629 815306172 /nfs/dbraw/zinc/30/61/72/815306172.db2.gz SIXBIMPWVWHJNQ-UHFFFAOYSA-N 0 0 256.349 3.492 20 10 CGCDRN CC(C)c1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001176755241 809758893 /nfs/dbraw/zinc/75/88/93/809758893.db2.gz NRXCEFFATXBBHL-UHFFFAOYSA-N 0 0 285.343 3.151 20 10 CGCDRN CC(C)CC1(C(=O)NCc2c(O)cccc2F)CCC1 ZINC001178413156 809864909 /nfs/dbraw/zinc/86/49/09/809864909.db2.gz NUDYLUDUOFRASR-UHFFFAOYSA-N 0 0 279.355 3.364 20 10 CGCDRN O=C(COC1CCCC1)NCc1c(O)ccc2ccccc21 ZINC001179030010 809901346 /nfs/dbraw/zinc/90/13/46/809901346.db2.gz WIQHEUOWONTYBJ-UHFFFAOYSA-N 0 0 299.370 3.121 20 10 CGCDRN Cc1cc(F)ncc1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180122678 809976168 /nfs/dbraw/zinc/97/61/68/809976168.db2.gz DIOZYHLVJCEMEH-RMKNXTFCSA-N 0 0 299.349 3.247 20 10 CGCDRN CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001180631961 810015190 /nfs/dbraw/zinc/01/51/90/810015190.db2.gz FOECTMSNFFKJLC-QWHCGFSZSA-N 0 0 299.361 3.352 20 10 CGCDRN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001181544686 810059291 /nfs/dbraw/zinc/05/92/91/810059291.db2.gz VWEDHCMPEZICOE-KOLCDFICSA-N 0 0 255.308 3.433 20 10 CGCDRN CC1(C)CCC(NC(=O)CCc2ccc(O)c(O)c2)CC1 ZINC001182157146 810096014 /nfs/dbraw/zinc/09/60/14/810096014.db2.gz IJTXJKPIZNAVLH-UHFFFAOYSA-N 0 0 291.391 3.115 20 10 CGCDRN Oc1cccc(Nc2ccc(CC(F)(F)F)nc2)c1O ZINC001213916425 815346782 /nfs/dbraw/zinc/34/67/82/815346782.db2.gz QKXRMEKHEFUDNQ-UHFFFAOYSA-N 0 0 284.237 3.341 20 10 CGCDRN Nc1ccc(Nc2ccc3cc[nH]c(=O)c3c2)cc1 ZINC001213964122 815352854 /nfs/dbraw/zinc/35/28/54/815352854.db2.gz ZBASPZOWYSKFHY-UHFFFAOYSA-N 0 0 251.289 3.266 20 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CC(C)Nc1ccc(Nc2ccc3c(c2)CNC(=O)C3)cc1 ZINC001201504825 811874009 /nfs/dbraw/zinc/87/40/09/811874009.db2.gz JMCSLWUBUUKBQY-UHFFFAOYSA-N 0 0 295.386 3.423 20 10 CGCDRN O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203561365 812392924 /nfs/dbraw/zinc/39/29/24/812392924.db2.gz SOVLWPBHSDPXJT-INIZCTEOSA-N 0 0 281.355 3.097 20 10 CGCDRN C[C@@H]1C[C@H](F)CN1Cc1cc(Br)ccc1O ZINC001203635645 812412849 /nfs/dbraw/zinc/41/28/49/812412849.db2.gz BZODYUCOLDSMFV-KCJUWKMLSA-N 0 0 288.160 3.087 20 10 CGCDRN C[C@@]1(F)CCN(Cc2cc(Cl)ccc2O)C[C@@H]1F ZINC001203650845 812415513 /nfs/dbraw/zinc/41/55/13/812415513.db2.gz FIQDQXRHQAQHRF-QWHCGFSZSA-N 0 0 275.726 3.318 20 10 CGCDRN C[C@]1(F)CCN(Cc2cc(Cl)ccc2O)C[C@@H]1F ZINC001203650871 812416325 /nfs/dbraw/zinc/41/63/25/812416325.db2.gz FIQDQXRHQAQHRF-STQMWFEESA-N 0 0 275.726 3.318 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCC[C@@H]1c1ncccn1 ZINC001203665653 812422548 /nfs/dbraw/zinc/42/25/48/812422548.db2.gz RQXHAURDEVBASI-CYBMUJFWSA-N 0 0 289.766 3.173 20 10 CGCDRN CN(C)c1ccc(CN2CCC[C@H](F)C(F)(F)C2)cc1 ZINC001203929535 812494404 /nfs/dbraw/zinc/49/44/04/812494404.db2.gz FUBYQIBNYPXTCV-AWEZNQCLSA-N 0 0 286.341 3.322 20 10 CGCDRN C[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204232690 812579975 /nfs/dbraw/zinc/57/99/75/812579975.db2.gz IOQISBRQYJSSLP-AWEZNQCLSA-N 0 0 296.414 3.317 20 10 CGCDRN Oc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c(O)c1 ZINC001204281563 812596801 /nfs/dbraw/zinc/59/68/01/812596801.db2.gz WEAWCUXCCFQJAQ-UHFFFAOYSA-N 0 0 279.355 3.202 20 10 CGCDRN Oc1c(F)cccc1CN[C@@H]1COc2cc(F)cc(F)c21 ZINC001205394564 812977782 /nfs/dbraw/zinc/97/77/82/812977782.db2.gz SOCUYUIKCQCQHF-GFCCVEGCSA-N 0 0 295.260 3.033 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1ncccc1F ZINC001207032714 813469718 /nfs/dbraw/zinc/46/97/18/813469718.db2.gz MMSBBPVNYRMOOO-UHFFFAOYSA-N 0 0 299.393 3.453 20 10 CGCDRN Cc1noc([C@H]([NH2+]Cc2cccc(Cl)c2[O-])C(C)C)n1 ZINC001207864788 813662629 /nfs/dbraw/zinc/66/26/29/813662629.db2.gz FKNFVBZTAIQAPW-GFCCVEGCSA-N 0 0 295.770 3.224 20 10 CGCDRN CN(C)c1ccc(CNC(=O)OC2CCCCC2)cc1F ZINC001208641444 813781228 /nfs/dbraw/zinc/78/12/28/813781228.db2.gz QRGJCMNHXIHENF-UHFFFAOYSA-N 0 0 294.370 3.451 20 10 CGCDRN COc1ccc(Nc2ccc3c(c2)OCCN3)c(F)c1 ZINC001209726808 814122290 /nfs/dbraw/zinc/12/22/90/814122290.db2.gz CLCDGLYSOMNEQV-UHFFFAOYSA-N 0 0 274.295 3.382 20 10 CGCDRN Cc1c(CO)cccc1Nc1ccc2c(c1)OCCN2 ZINC001209768216 814134769 /nfs/dbraw/zinc/13/47/69/814134769.db2.gz UWGYXXXYZFXRDL-UHFFFAOYSA-N 0 0 270.332 3.035 20 10 CGCDRN O=c1ccc2cc(Nc3ccc4c(c3)OCCN4)ccc2o1 ZINC001209792386 814141498 /nfs/dbraw/zinc/14/14/98/814141498.db2.gz NVXIHXVCZIPFIB-UHFFFAOYSA-N 0 0 294.310 3.341 20 10 CGCDRN COc1ccc(C(C)=O)cc1Nc1ccc(N)cc1 ZINC001210079746 814277641 /nfs/dbraw/zinc/27/76/41/814277641.db2.gz UXHDKLMKBRJLKK-UHFFFAOYSA-N 0 0 256.305 3.224 20 10 CGCDRN CC(=O)c1cc(Nc2cccc(C(F)(F)F)c2O)ccn1 ZINC001210594967 814547334 /nfs/dbraw/zinc/54/73/34/814547334.db2.gz MAKZCZWIUSMKRR-UHFFFAOYSA-N 0 0 296.248 3.174 20 10 CGCDRN 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CC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C1CCCCC1 ZINC001231559323 818124167 /nfs/dbraw/zinc/12/41/67/818124167.db2.gz ALWQEFFOGYBBQF-UHFFFAOYSA-N 0 0 277.364 3.245 20 10 CGCDRN O=C1CC[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1F ZINC001231587933 818129918 /nfs/dbraw/zinc/12/99/18/818129918.db2.gz JNTVPSRNGPXSEW-OAHLLOKOSA-N 0 0 287.334 3.048 20 10 CGCDRN Cc1cc(O)c(CN2CCO[C@@H](C(C)C)C2)cc1Cl ZINC001231869944 818193871 /nfs/dbraw/zinc/19/38/71/818193871.db2.gz BHGAXQVRVPUVLH-OAHLLOKOSA-N 0 0 283.799 3.211 20 10 CGCDRN Oc1c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)ccc2ccccc21 ZINC001231880319 818199856 /nfs/dbraw/zinc/19/98/56/818199856.db2.gz BSRNALFVSUPOKT-RHSMWYFYSA-N 0 0 283.371 3.156 20 10 CGCDRN O=C1CCN(Cc2cccc(Cl)c2[O-])[C@H]2CCCC[C@H]12 ZINC001231909837 818210359 /nfs/dbraw/zinc/21/03/59/818210359.db2.gz RHQMSTNVXUFKFF-JSGCOSHPSA-N 0 0 293.794 3.379 20 10 CGCDRN CCCOC1CN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454141 818623833 /nfs/dbraw/zinc/62/38/33/818623833.db2.gz IGCILTWUVZJVFQ-UHFFFAOYSA-N 0 0 289.297 3.022 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/nfs/dbraw/zinc/03/48/41/938034841.db2.gz VRAMQGRTKSURLV-CFYYFVFUSA-N 0 0 295.386 3.364 20 10 CGCDRN O=C(NC[C@@H]1C[C@H]1C1CCCC1)C1=CC(=O)CS1 ZINC001522616912 938037277 /nfs/dbraw/zinc/03/72/77/938037277.db2.gz MPLDOBHXPOXMII-JQWIXIFHSA-N 0 0 265.378 3.010 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCOc2cc(C)ccc21 ZINC001524241776 938043281 /nfs/dbraw/zinc/04/32/81/938043281.db2.gz ZENSYIMKHBGOPV-SDNWHVSQSA-N 0 0 294.354 3.219 20 10 CGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2cncc(C)c2)cc1 ZINC001533539960 938090826 /nfs/dbraw/zinc/09/08/26/938090826.db2.gz QZFJOORFWUUYMR-RUDMXATFSA-N 0 0 294.354 3.269 20 10 CGCDRN C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)C=CCC1 ZINC001545639268 938150256 /nfs/dbraw/zinc/15/02/56/938150256.db2.gz IPBIRCGIZRPFRZ-GOSISDBHSA-N 0 0 285.387 3.244 20 10 CGCDRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c(O)c1O ZINC001556417772 938203775 /nfs/dbraw/zinc/20/37/75/938203775.db2.gz CYLDRUHOZKQJQH-DRZSPHRISA-N 0 0 291.391 3.208 20 10 CGCDRN C/C(=C/c1ccco1)C(=O)N[C@H](C)c1ccccc1O ZINC001557966553 938212845 /nfs/dbraw/zinc/21/28/45/938212845.db2.gz HIBVGECMLRWQPE-NLYDNYMLSA-N 0 0 271.316 3.266 20 10 CGCDRN CCC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001557968080 938212913 /nfs/dbraw/zinc/21/29/13/938212913.db2.gz SEFQKZWTEAHLPO-LBPRGKRZSA-N 0 0 297.354 3.476 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 ZINC001558454464 938215443 /nfs/dbraw/zinc/21/54/43/938215443.db2.gz HFTQLPQNKVZTBQ-UHFFFAOYSA-N 0 0 287.334 3.089 20 10 CGCDRN COc1ccc(N(CCC(C)C)CCn2cccn2)cc1 ZINC001559809820 938236315 /nfs/dbraw/zinc/23/63/15/938236315.db2.gz OPFDZKCELBQRRO-UHFFFAOYSA-N 0 0 287.407 3.444 20 10 CGCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC001560291227 938251144 /nfs/dbraw/zinc/25/11/44/938251144.db2.gz HWUPVFFUXNFINM-MRVPVSSYSA-N 0 0 257.736 3.320 20 10 CGCDRN CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001560773513 938275029 /nfs/dbraw/zinc/27/50/29/938275029.db2.gz CTDQYKRXZLFGFA-OAHLLOKOSA-N 0 0 291.391 3.043 20 10 CGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1c[nH]cn1 ZINC001560895277 938282446 /nfs/dbraw/zinc/28/24/46/938282446.db2.gz KYEZDMDBRGKASL-CQSZACIVSA-N 0 0 285.391 3.253 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(CC3CCC3)c2)cc1 ZINC001560918491 938283821 /nfs/dbraw/zinc/28/38/21/938283821.db2.gz WKOWFBJYTSIMLZ-UHFFFAOYSA-N 0 0 285.391 3.328 20 10 CGCDRN COc1cc(C)ccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001562299075 938298772 /nfs/dbraw/zinc/29/87/72/938298772.db2.gz KOXNDYXZNJJNCY-UHFFFAOYSA-N 0 0 298.342 3.257 20 10 CGCDRN Cc1cc(O)c(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC001574343274 962305769 /nfs/dbraw/zinc/30/57/69/962305769.db2.gz MZCJOMMKWTXVCI-GFCCVEGCSA-N 0 0 299.798 3.191 20 10 CGCDRN CC1(C)COc2ccc(C(=O)Oc3ccc(N)cc3)cc21 ZINC001576484319 962464837 /nfs/dbraw/zinc/46/48/37/962464837.db2.gz SFQDFALMOPDKLW-UHFFFAOYSA-N 0 0 283.327 3.158 20 10 CGCDRN CCN1c2ccc(NCc3ccc(N)cc3)cc2CCC1=O ZINC001577756374 962566214 /nfs/dbraw/zinc/56/62/14/962566214.db2.gz WVJYUOWMUFEXEG-UHFFFAOYSA-N 0 0 295.386 3.180 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H]2CCCc3c(F)cccc32)cc1 ZINC001580443121 962722190 /nfs/dbraw/zinc/72/21/90/962722190.db2.gz RTOYZTRNAYXPCM-KRWDZBQOSA-N 0 0 298.361 3.144 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593222107 994331764 /nfs/dbraw/zinc/33/17/64/994331764.db2.gz HDPSMYRPPIONOL-MWLCHTKSSA-N 0 0 299.317 3.319 20 10 CGCDRN CC(C)C1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001593250104 994483308 /nfs/dbraw/zinc/48/33/08/994483308.db2.gz QOOFIQCYWZTDGX-NSHDSACASA-N 0 0 277.364 3.177 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593304825 994755203 /nfs/dbraw/zinc/75/52/03/994755203.db2.gz RDDDAKIMILYHOJ-SNVBAGLBSA-N 0 0 289.306 3.080 20 10 CGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001594186939 998722539 /nfs/dbraw/zinc/72/25/39/998722539.db2.gz ZBOGZEJHHKDUMX-GIPNMCIBSA-N 0 0 297.782 3.025 20 10 CGCDRN CSc1nc2ncnc(Sc3nccs3)c2s1 ZINC000092621800 345847769 /nfs/dbraw/zinc/84/77/69/345847769.db2.gz RZGRAXNCWKFQJK-UHFFFAOYSA-N 0 0 298.443 3.416 20 10 CGCDRN CC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000170677754 346197088 /nfs/dbraw/zinc/19/70/88/346197088.db2.gz DODADHSSUOPDNL-GOSISDBHSA-N 0 0 294.398 3.347 20 10 CGCDRN CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000172631365 346227951 /nfs/dbraw/zinc/22/79/51/346227951.db2.gz QQKMLTDMPLVIIS-UHFFFAOYSA-N 0 0 299.418 3.147 20 10 CGCDRN CCN(C(=O)/C=C\c1cncs1)c1ccc(F)c(F)c1 ZINC000493691636 244213550 /nfs/dbraw/zinc/21/35/50/244213550.db2.gz SYFQUZMMUKJCRI-XQRVVYSFSA-N 0 0 294.326 3.488 20 10 CGCDRN CN(C)c1ccc(CN2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092728315 370100436 /nfs/dbraw/zinc/10/04/36/370100436.db2.gz HSYKKFVSHNYCDW-INIZCTEOSA-N 0 0 284.407 3.203 20 10 CGCDRN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)c(F)c1[O-] ZINC000187733261 296166125 /nfs/dbraw/zinc/16/61/25/296166125.db2.gz XYQAHRZOSFDUBD-HLCOSHSZSA-N 0 0 297.345 3.135 20 10 CGCDRN COCCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134040855 371298621 /nfs/dbraw/zinc/29/86/21/371298621.db2.gz BPPUXXYPSWOIAN-UHFFFAOYSA-N 0 0 278.179 3.167 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000287557642 371673634 /nfs/dbraw/zinc/67/36/34/371673634.db2.gz PZRSJQJZPDOXDM-JMSVASOKSA-N 0 0 281.371 3.245 20 10 CGCDRN CCOCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287842698 371711179 /nfs/dbraw/zinc/71/11/79/371711179.db2.gz WHHLETZUKXNSKD-LBPRGKRZSA-N 0 0 257.761 3.123 20 10 CGCDRN COc1ccncc1COc1ccc(N2CCCC2)cc1 ZINC000288441810 371737189 /nfs/dbraw/zinc/73/71/89/371737189.db2.gz DZZPVHHYWJUFDL-UHFFFAOYSA-N 0 0 284.359 3.269 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCCO1 ZINC000293556837 372411876 /nfs/dbraw/zinc/41/18/76/372411876.db2.gz HQXAPLZKCSXXPE-YMTOWFKASA-N 0 0 287.762 3.232 20 10 CGCDRN Cc1ccoc1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000293803284 372487211 /nfs/dbraw/zinc/48/72/11/372487211.db2.gz VDRAEBWPNQHIAY-SECBINFHSA-N 0 0 267.275 3.423 20 10 CGCDRN CC(C)[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000294142268 372592935 /nfs/dbraw/zinc/59/29/35/372592935.db2.gz UYHBHIYGKXQAMW-CQSZACIVSA-N 0 0 283.799 3.293 20 10 CGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000295024076 372686425 /nfs/dbraw/zinc/68/64/25/372686425.db2.gz HPXBDZAJGNIJMA-OCCSQVGLSA-N 0 0 261.365 3.225 20 10 CGCDRN CCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCC1 ZINC000295133660 372694705 /nfs/dbraw/zinc/69/47/05/372694705.db2.gz YLPCIYJHYZLLMF-UHFFFAOYSA-N 0 0 294.351 3.121 20 10 CGCDRN COc1ccc(N(Cc2cnn(C)c2)[C@@H](C)C2CC2)cc1 ZINC000171937889 372860148 /nfs/dbraw/zinc/86/01/48/372860148.db2.gz JVWJYAABBKRWFM-ZDUSSCGKSA-N 0 0 285.391 3.234 20 10 CGCDRN CCc1ccc(C(C)(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000297304360 373264804 /nfs/dbraw/zinc/26/48/04/373264804.db2.gz VTWTXZPSKLIMTM-UHFFFAOYSA-N 0 0 296.414 3.425 20 10 CGCDRN CC(C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298754771 373399750 /nfs/dbraw/zinc/39/97/50/373399750.db2.gz XXRJYPBORTYLIX-UHFFFAOYSA-N 0 0 291.439 3.329 20 10 CGCDRN Cc1cc(C)nc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302373491 373858289 /nfs/dbraw/zinc/85/82/89/373858289.db2.gz GWEOQXCBKWYABE-CYBMUJFWSA-N 0 0 270.380 3.333 20 10 CGCDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000302403147 373863452 /nfs/dbraw/zinc/86/34/52/373863452.db2.gz LHQUJBSUSSIHCK-LLVKDONJSA-N 0 0 286.335 3.229 20 10 CGCDRN COc1ccc(O)c(CNc2ncnc3c(F)cccc23)c1 ZINC000302920927 374005535 /nfs/dbraw/zinc/00/55/35/374005535.db2.gz ZRQCMBYKCHIAFA-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN CC(C)[C@@H](C)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180704256 374037432 /nfs/dbraw/zinc/03/74/32/374037432.db2.gz DPUNQFPXQWTAFI-BIPYJSMBSA-N 0 0 289.375 3.147 20 10 CGCDRN CC(C)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180835061 374050555 /nfs/dbraw/zinc/05/05/55/374050555.db2.gz XPFITRHEZAYFBF-YVARQFDVSA-N 0 0 289.375 3.006 20 10 CGCDRN C[C@H]1CCC[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180917683 374058432 /nfs/dbraw/zinc/05/84/32/374058432.db2.gz CAMBFYICBKEZCY-GKUAPZSJSA-N 0 0 289.375 3.148 20 10 CGCDRN C[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000182659324 374305705 /nfs/dbraw/zinc/30/57/05/374305705.db2.gz KRXXVMMJZSWZLX-LLVKDONJSA-N 0 0 294.349 3.387 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000183471887 374417992 /nfs/dbraw/zinc/41/79/92/374417992.db2.gz WILWWJHWXMOGOE-ZDUSSCGKSA-N 0 0 299.370 3.076 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc[nH]2)cc1 ZINC000187238927 374990683 /nfs/dbraw/zinc/99/06/83/374990683.db2.gz QSNRJPYRQCTCOV-FMIVXFBMSA-N 0 0 297.402 3.191 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187745984 375085823 /nfs/dbraw/zinc/08/58/23/375085823.db2.gz RQSONLMPEMAUGV-NKFCBESUSA-N 0 0 299.361 3.262 20 10 CGCDRN CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000188104249 375158936 /nfs/dbraw/zinc/15/89/36/375158936.db2.gz DLPQNLNUNNWQQZ-YUMQZZPRSA-N 0 0 278.179 3.385 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191183304 375591410 /nfs/dbraw/zinc/59/14/10/375591410.db2.gz VAHSJLYLIGQAQM-QMTHXVAHSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000195601515 376114097 /nfs/dbraw/zinc/11/40/97/376114097.db2.gz BQLBIMHYSWUSRL-MXWKQRLJSA-N 0 0 284.450 3.128 20 10 CGCDRN Nc1ccc(NC(=O)CCCOCCc2ccccc2)cc1 ZINC000238135108 376770583 /nfs/dbraw/zinc/77/05/83/376770583.db2.gz JKHNQJRXWAOXPI-UHFFFAOYSA-N 0 0 298.386 3.247 20 10 CGCDRN CC(C)CC1(CNC(=O)NCc2ccccc2O)CC1 ZINC000268112243 378049142 /nfs/dbraw/zinc/04/91/42/378049142.db2.gz OZMVGNJCNFIALE-UHFFFAOYSA-N 0 0 276.380 3.018 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2)cc1F ZINC000268216912 378049727 /nfs/dbraw/zinc/04/97/27/378049727.db2.gz VJVYERRIVBEWQW-OAHLLOKOSA-N 0 0 293.313 3.143 20 10 CGCDRN CCOC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000343897354 378127939 /nfs/dbraw/zinc/12/79/39/378127939.db2.gz MUVXHPLOZPEGNU-UHFFFAOYSA-N 0 0 275.348 3.081 20 10 CGCDRN C[C@@H](NCc1nccn1C)c1ccc(N2CCCCC2)cc1 ZINC000268944597 378159182 /nfs/dbraw/zinc/15/91/82/378159182.db2.gz WDTVVJDYLUYCEN-OAHLLOKOSA-N 0 0 298.434 3.261 20 10 CGCDRN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cscn1 ZINC000271106761 378454819 /nfs/dbraw/zinc/45/48/19/378454819.db2.gz GIYSGRASNSNYRW-GFCCVEGCSA-N 0 0 287.432 3.376 20 10 CGCDRN Cc1nc(C)c(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000271608798 378499321 /nfs/dbraw/zinc/49/93/21/378499321.db2.gz AQRWSNYHJBLECT-VIFPVBQESA-N 0 0 262.378 3.316 20 10 CGCDRN C[N@H+](CCc1cccs1)Cc1cccc(F)c1[O-] ZINC000272230437 378591205 /nfs/dbraw/zinc/59/12/05/378591205.db2.gz DQLGREASXPJZDD-UHFFFAOYSA-N 0 0 265.353 3.267 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000272237537 378592946 /nfs/dbraw/zinc/59/29/46/378592946.db2.gz FTQCZMQBFYSFIZ-UHFFFAOYSA-N 0 0 279.355 3.066 20 10 CGCDRN CC(C)COCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365884 378742425 /nfs/dbraw/zinc/74/24/25/378742425.db2.gz FAOBXSIDWDGIFI-LBPRGKRZSA-N 0 0 296.367 3.014 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2cn3ccsc3n2)c(O)c1 ZINC000273386046 378743540 /nfs/dbraw/zinc/74/35/40/378743540.db2.gz JPNWUDFKMZYUTA-LLVKDONJSA-N 0 0 287.388 3.261 20 10 CGCDRN CCCCOCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273411775 378745188 /nfs/dbraw/zinc/74/51/88/378745188.db2.gz PUISFSJRGQBEJB-GFCCVEGCSA-N 0 0 296.367 3.158 20 10 CGCDRN C[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000273426471 378745618 /nfs/dbraw/zinc/74/56/18/378745618.db2.gz RZDUYXCMTKYWCR-NSHDSACASA-N 0 0 260.312 3.119 20 10 CGCDRN CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000273459233 378748886 /nfs/dbraw/zinc/74/88/86/378748886.db2.gz HSHYXEIULNGATC-NORZTCDRSA-N 0 0 281.371 3.386 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ccnc(C)n1 ZINC000373599629 379305878 /nfs/dbraw/zinc/30/58/78/379305878.db2.gz YWFNJWDTDWNWPO-UHFFFAOYSA-N 0 0 283.375 3.137 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cncs1 ZINC000282371843 379906261 /nfs/dbraw/zinc/90/62/61/379906261.db2.gz CEHFCDCEBKOZLK-UHFFFAOYSA-N 0 0 290.388 3.291 20 10 CGCDRN CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284297290 380138614 /nfs/dbraw/zinc/13/86/14/380138614.db2.gz YLYLPNBUVKZWOK-NJZAAPMLSA-N 0 0 265.397 3.067 20 10 CGCDRN CC[C@H]([NH2+]CCCCCCO)c1ccc(F)cc1[O-] ZINC000286327408 380197143 /nfs/dbraw/zinc/19/71/43/380197143.db2.gz YFZFWCLCKILPAQ-AWEZNQCLSA-N 0 0 269.360 3.125 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC2=CCCCC2)cc1 ZINC000106602523 392305514 /nfs/dbraw/zinc/30/55/14/392305514.db2.gz AZYSJKFRIZSKTE-UHFFFAOYSA-N 0 0 272.392 3.259 20 10 CGCDRN CC(C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108536267 392344356 /nfs/dbraw/zinc/34/43/56/392344356.db2.gz LARVBUGVLUEKSY-UHFFFAOYSA-N 0 0 289.423 3.131 20 10 CGCDRN C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(F)cc1O ZINC000287391790 392397700 /nfs/dbraw/zinc/39/77/00/392397700.db2.gz QERQEPAETAQTJT-RNFRBKRXSA-N 0 0 251.223 3.133 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)c(O)c1O ZINC000177668090 392665100 /nfs/dbraw/zinc/66/51/00/392665100.db2.gz RAOWZOIDRDBWCX-HNNXBMFYSA-N 0 0 297.354 3.166 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)CC(F)F 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ZINC000156829533 261133033 /nfs/dbraw/zinc/13/30/33/261133033.db2.gz UKOIOGSHQCYUIE-SFHVURJKSA-N 0 0 298.386 3.003 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000159110911 261178720 /nfs/dbraw/zinc/17/87/20/261178720.db2.gz SICVFDYMKGUFOL-UONOGXRCSA-N 0 0 282.387 3.120 20 10 CGCDRN COC(=O)CCSc1ncc(C(C)(C)C)s1 ZINC000164398786 261350604 /nfs/dbraw/zinc/35/06/04/261350604.db2.gz AFOKIQOFBYPWGY-UHFFFAOYSA-N 0 0 259.396 3.096 20 10 CGCDRN CSc1ccccc1C(=O)N1CCSC(C)(C)C1 ZINC000176464701 261655046 /nfs/dbraw/zinc/65/50/46/261655046.db2.gz KOJWIXMBMQCPDJ-UHFFFAOYSA-N 0 0 281.446 3.376 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1c[nH]nc1C1CC1 ZINC000184498305 262021224 /nfs/dbraw/zinc/02/12/24/262021224.db2.gz DGBCJCIGANXYPY-UHFFFAOYSA-N 0 0 299.374 3.045 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000184944945 262035047 /nfs/dbraw/zinc/03/50/47/262035047.db2.gz QNDNQUANFSXBBF-SJKOYZFVSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185346441 262051977 /nfs/dbraw/zinc/05/19/77/262051977.db2.gz LDTOEPFYCKRJQF-NWDGAFQWSA-N 0 0 291.370 3.023 20 10 CGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(F)cc1[O-] ZINC000185518671 262058113 /nfs/dbraw/zinc/05/81/13/262058113.db2.gz RAGURGDMYAZTQS-ZUZCIYMTSA-N 0 0 295.379 3.151 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1[O-] ZINC000185650747 262064386 /nfs/dbraw/zinc/06/43/86/262064386.db2.gz DCMNNAQYWWXELE-UBHSHLNASA-N 0 0 280.387 3.055 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185711419 262067963 /nfs/dbraw/zinc/06/79/63/262067963.db2.gz NUSKVSRBSUEPAB-DLBZAZTESA-N 0 0 286.419 3.195 20 10 CGCDRN C[C@@]1([NH2+]Cc2cccc(Cl)c2[O-])CCO[C@@H]1C1CC1 ZINC000273199534 263013856 /nfs/dbraw/zinc/01/38/56/263013856.db2.gz RFNGALPDCVUUDN-HUUCEWRRSA-N 0 0 281.783 3.093 20 10 CGCDRN CSc1cncc(NCCCSc2nccs2)n1 ZINC000132249723 264386607 /nfs/dbraw/zinc/38/66/07/264386607.db2.gz ZVOJFPVNSZLEIU-UHFFFAOYSA-N 0 0 298.462 3.249 20 10 CGCDRN CCC(C)(C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000362631148 267027058 /nfs/dbraw/zinc/02/70/58/267027058.db2.gz UDHNQXDRFXKFFV-UHFFFAOYSA-N 0 0 290.407 3.304 20 10 CGCDRN CC[C@H]([NH2+]CCC(=O)NC(C)C)c1cccc(Cl)c1[O-] ZINC000287893429 288038472 /nfs/dbraw/zinc/03/84/72/288038472.db2.gz ZDHBEWQNMAYDAS-ZDUSSCGKSA-N 0 0 298.814 3.001 20 10 CGCDRN CO[C@](C)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000293950563 294768841 /nfs/dbraw/zinc/76/88/41/294768841.db2.gz PBKPDCKWCCVOBL-CQSZACIVSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000529670356 328592908 /nfs/dbraw/zinc/59/29/08/328592908.db2.gz SNXMUORZNVURMB-VXFNFUGZSA-N 0 0 287.762 3.086 20 10 CGCDRN Cc1cccc(O[C@H](C)C(=O)N(C)Cc2ccccc2O)c1 ZINC000053914643 326993000 /nfs/dbraw/zinc/99/30/00/326993000.db2.gz IOLNZSRHOJDDRV-CQSZACIVSA-N 0 0 299.370 3.127 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(F)cc1[O-] ZINC000528004383 330300329 /nfs/dbraw/zinc/30/03/29/330300329.db2.gz FXXCSRZPUNJRHF-NHTBEBDUSA-N 0 0 281.371 3.384 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCC1CC1 ZINC000472233584 331532696 /nfs/dbraw/zinc/53/26/96/331532696.db2.gz MVWVVIGIKLZDIO-UHFFFAOYSA-N 0 0 299.418 3.428 20 10 CGCDRN CCN(C(=O)NCc1c(C)c2ccccc2n1C)C(C)C ZINC000472279755 331534614 /nfs/dbraw/zinc/53/46/14/331534614.db2.gz UDQHXLBMQOZYCK-UHFFFAOYSA-N 0 0 287.407 3.427 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ncccc1C ZINC000492588949 332404606 /nfs/dbraw/zinc/40/46/06/332404606.db2.gz DIEZITQQTRYXJC-MDZDMXLPSA-N 0 0 281.359 3.160 20 10 CGCDRN CCN(C(=O)/C=C/c1cncs1)c1cccc(OC)c1 ZINC000492995513 332421857 /nfs/dbraw/zinc/42/18/57/332421857.db2.gz UUDJTWBEELDZFO-BQYQJAHWSA-N 0 0 288.372 3.218 20 10 CGCDRN COc1cc(C)c(NCc2cc(F)ccc2O)cc1OC ZINC000226580358 333265327 /nfs/dbraw/zinc/26/53/27/333265327.db2.gz WODYDQHUQPVFNO-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000529637682 333502343 /nfs/dbraw/zinc/50/23/43/333502343.db2.gz VHSJAJZXMDZVTK-JTQLQIEISA-N 0 0 287.762 3.091 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000529636469 333502374 /nfs/dbraw/zinc/50/23/74/333502374.db2.gz CHAJYLHJXHXFLO-SNVBAGLBSA-N 0 0 287.762 3.091 20 10 CGCDRN Cc1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302428083 534404800 /nfs/dbraw/zinc/40/48/00/534404800.db2.gz PCIOQGRYNXNUMO-LBPRGKRZSA-N 0 0 256.353 3.024 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC1(F)F ZINC000294609974 519655154 /nfs/dbraw/zinc/65/51/54/519655154.db2.gz XBRJCAYBFGRVNE-AWEZNQCLSA-N 0 0 296.361 3.145 20 10 CGCDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)(C)O ZINC000276739571 519821503 /nfs/dbraw/zinc/82/15/03/519821503.db2.gz GHJQOQIGDLBCPN-OTYXRUKQSA-N 0 0 287.350 3.117 20 10 CGCDRN CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(N)cc1 ZINC000236837954 519882138 /nfs/dbraw/zinc/88/21/38/519882138.db2.gz DFSCZZCOJRSPQC-UHFFFAOYSA-N 0 0 292.770 3.031 20 10 CGCDRN CCN(C(=O)CSc1nccs1)C1CCCCC1 ZINC000071972017 519920753 /nfs/dbraw/zinc/92/07/53/519920753.db2.gz DXFHDTRNVUZUOA-UHFFFAOYSA-N 0 0 284.450 3.416 20 10 CGCDRN CCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000247986507 520218476 /nfs/dbraw/zinc/21/84/76/520218476.db2.gz KPQTWHZOXZSBSJ-UHFFFAOYSA-N 0 0 256.349 3.186 20 10 CGCDRN CCC(CC)CN(CC)C(=O)Cc1ccc(N)cc1 ZINC000036195625 521514988 /nfs/dbraw/zinc/51/49/88/521514988.db2.gz FUXYCEOSNMHWHC-UHFFFAOYSA-N 0 0 262.397 3.096 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(c2)CCO3)cc1 ZINC000037103623 522214093 /nfs/dbraw/zinc/21/40/93/522214093.db2.gz DEHGVLRDHVJWSF-UHFFFAOYSA-N 0 0 268.360 3.300 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CSC)c1ccc(F)cc1[O-] ZINC000286244551 522691704 /nfs/dbraw/zinc/69/17/04/522691704.db2.gz UDGJANDYXQSIEG-CABZTGNLSA-N 0 0 257.374 3.324 20 10 CGCDRN CCc1nocc1C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293520528 522931015 /nfs/dbraw/zinc/93/10/15/522931015.db2.gz AXYXOXLDXGVCMS-UHFFFAOYSA-N 0 0 298.745 3.367 20 10 CGCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000292886085 523950259 /nfs/dbraw/zinc/95/02/59/523950259.db2.gz CMFDOGKCNNKJKI-GFCCVEGCSA-N 0 0 290.190 3.214 20 10 CGCDRN Cc1ccc(CCC(=O)N(C)Cc2ccccc2O)s1 ZINC000289686361 524281744 /nfs/dbraw/zinc/28/17/44/524281744.db2.gz COSASDNCOAUQDR-UHFFFAOYSA-N 0 0 289.400 3.353 20 10 CGCDRN C[C@@H](CC1CCCC1)C(=O)NCc1ccccc1O ZINC000265120305 524433944 /nfs/dbraw/zinc/43/39/44/524433944.db2.gz FLMDUACQGUBDAF-LBPRGKRZSA-N 0 0 261.365 3.225 20 10 CGCDRN C[C@@H]1CC[C@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000131448492 524658303 /nfs/dbraw/zinc/65/83/03/524658303.db2.gz HVZUUICHILXSGT-OLZOCXBDSA-N 0 0 261.365 3.177 20 10 CGCDRN COc1ccc(NCc2cc(C)ccc2O)c(OC)c1 ZINC000071403728 524679611 /nfs/dbraw/zinc/67/96/11/524679611.db2.gz OQMIKPGKHNZHQQ-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(C)nc2C)c1 ZINC000094664875 524756417 /nfs/dbraw/zinc/75/64/17/524756417.db2.gz WNLIOXLHCCABNT-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1ccc(N)cc1 ZINC000262657571 524941547 /nfs/dbraw/zinc/94/15/47/524941547.db2.gz XPZGTGUIISZXJO-YOEHRIQHSA-N 0 0 294.398 3.216 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(CCO)cc2)c1 ZINC000040738626 525362887 /nfs/dbraw/zinc/36/28/87/525362887.db2.gz ASDOGZGSOAGRNU-CYBMUJFWSA-N 0 0 271.360 3.409 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccn1 ZINC000062745005 525660766 /nfs/dbraw/zinc/66/07/66/525660766.db2.gz NLMPAYNEDFIOKZ-GHMZBOCLSA-N 0 0 260.312 3.338 20 10 CGCDRN C[C@@H](Nc1ccc(CCO)cc1)c1cc(F)ccc1O ZINC000094617826 525703630 /nfs/dbraw/zinc/70/36/30/525703630.db2.gz DUEWDWKCVVLGOC-LLVKDONJSA-N 0 0 275.323 3.239 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(F)F ZINC000292882203 525936776 /nfs/dbraw/zinc/93/67/76/525936776.db2.gz VRQFTQQICUXYFP-LLVKDONJSA-N 0 0 284.350 3.002 20 10 CGCDRN COc1cccc(CNc2cccnc2OC(C)C)c1O ZINC000048761223 526043363 /nfs/dbraw/zinc/04/33/63/526043363.db2.gz CMMUDECMKAOASW-UHFFFAOYSA-N 0 0 288.347 3.195 20 10 CGCDRN Cc1nnc(CN(C)c2ccc(OC(C)C)cc2)s1 ZINC000277019643 526333486 /nfs/dbraw/zinc/33/34/86/526333486.db2.gz AHPGHCAHSBTQOB-UHFFFAOYSA-N 0 0 277.393 3.270 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC=CCC1 ZINC000075160148 526637013 /nfs/dbraw/zinc/63/70/13/526637013.db2.gz CWVPLMAJLNVTNB-AWEZNQCLSA-N 0 0 285.387 3.244 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CC3CCC2CC3)c1[O-] ZINC000378383575 527208856 /nfs/dbraw/zinc/20/88/56/527208856.db2.gz KGZBYHJVTCCPSX-UHFFFAOYSA-N 0 0 277.339 3.108 20 10 CGCDRN Cc1ncc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])s1 ZINC000293542484 527272384 /nfs/dbraw/zinc/27/23/84/527272384.db2.gz GDVTUMARMHZQGD-UHFFFAOYSA-N 0 0 286.759 3.239 20 10 CGCDRN Nc1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000050226130 527493426 /nfs/dbraw/zinc/49/34/26/527493426.db2.gz JHFZNLGQQMERBJ-UHFFFAOYSA-N 0 0 252.726 3.236 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccon1 ZINC000157631026 527696891 /nfs/dbraw/zinc/69/68/91/527696891.db2.gz YTPNLTLFFQBCGL-UHFFFAOYSA-N 0 0 280.274 3.229 20 10 CGCDRN CN(C(=O)/C=C/c1cncs1)c1ccc(F)c(F)c1 ZINC000493592151 535938979 /nfs/dbraw/zinc/93/89/79/535938979.db2.gz PNKWZSVXDLHXED-HWKANZROSA-N 0 0 280.299 3.098 20 10 CGCDRN CN(C(=O)/C=C\c1cncs1)c1ccc2cc[nH]c2c1 ZINC000493196099 535940251 /nfs/dbraw/zinc/94/02/51/535940251.db2.gz WNGSCYRJGBVOSB-PLNGDYQASA-N 0 0 283.356 3.301 20 10 CGCDRN CCC(=O)COC(=O)c1sccc1-n1c(C)ccc1C ZINC000727188844 571730850 /nfs/dbraw/zinc/73/08/50/571730850.db2.gz DNUMHVQURXDQIJ-UHFFFAOYSA-N 0 0 291.372 3.292 20 10 CGCDRN Cc1ccc(C(=O)O[C@@H](C)c2ccccc2)c(O)c1O ZINC000727004021 571699921 /nfs/dbraw/zinc/69/99/21/571699921.db2.gz KUNJEGUUUFGCGG-NSHDSACASA-N 0 0 272.300 3.324 20 10 CGCDRN CCCCSCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728978916 571851887 /nfs/dbraw/zinc/85/18/87/571851887.db2.gz WOAYJMPNQJVEEC-NSHDSACASA-N 0 0 297.420 3.111 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C)c2)c1 ZINC000728984158 571852304 /nfs/dbraw/zinc/85/23/04/571852304.db2.gz MJSJWNZHQMCIIJ-LBPRGKRZSA-N 0 0 285.343 3.200 20 10 CGCDRN Cc1cc(C(=O)OC[C@H]2C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000729088654 571872508 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/nfs/dbraw/zinc/81/57/12/617815712.db2.gz LXIXSFCVGRKXFF-LLVKDONJSA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760153 617815858 /nfs/dbraw/zinc/81/58/58/617815858.db2.gz JXJCOMQBMOOADB-ZJUUUORDSA-N 0 0 267.756 3.098 20 10 CGCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1cccc(Cl)c1O ZINC000890760972 617816814 /nfs/dbraw/zinc/81/68/14/617816814.db2.gz GXNYZVQTDJUKOW-ZETCQYMHSA-N 0 0 295.688 3.250 20 10 CGCDRN C[C@@]1(C(=O)NCc2cccc(Cl)c2O)C=CCC1 ZINC000890762777 617819245 /nfs/dbraw/zinc/81/92/45/617819245.db2.gz ILMRZOGMMHTYQF-CQSZACIVSA-N 0 0 265.740 3.018 20 10 CGCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cccc(Cl)c1O ZINC000890763342 617819756 /nfs/dbraw/zinc/81/97/56/617819756.db2.gz SRTGLUZWIZJUNV-RYUDHWBXSA-N 0 0 279.767 3.098 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806131131 617834855 /nfs/dbraw/zinc/83/48/55/617834855.db2.gz GQOKNKQGSNTTLZ-LSDHHAIUSA-N 0 0 296.842 3.427 20 10 CGCDRN CCN1C(=O)/C(=C\c2cc(F)ccc2F)SC1=S ZINC000042653556 617995799 /nfs/dbraw/zinc/99/57/99/617995799.db2.gz BOTJBYWHMIRMLU-UXBLZVDNSA-N 0 0 285.340 3.186 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(Cl)c[nH]2)cc1 ZINC000023745007 618050243 /nfs/dbraw/zinc/05/02/43/618050243.db2.gz QOPFLWZOSZPRBJ-UHFFFAOYSA-N 0 0 291.782 3.006 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088432867 618124149 /nfs/dbraw/zinc/12/41/49/618124149.db2.gz BSCMUTZPWOSBIF-VIFPVBQESA-N 0 0 287.285 3.075 20 10 CGCDRN Cc1cccc([C@H](C)CNC(=O)Cc2ccc(N)cc2)c1 ZINC000160732729 618138695 /nfs/dbraw/zinc/13/86/95/618138695.db2.gz DIPDAJLYVPHXHC-CQSZACIVSA-N 0 0 282.387 3.040 20 10 CGCDRN CCC[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000891460857 618227179 /nfs/dbraw/zinc/22/71/79/618227179.db2.gz TWKGYVXXJRWISP-SECBINFHSA-N 0 0 270.760 3.033 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@]23C[C@@H]2CCCC3)c1 ZINC000924373213 618285571 /nfs/dbraw/zinc/28/55/71/618285571.db2.gz RXNRHQMLVODEQN-WMLDXEAASA-N 0 0 288.391 3.080 20 10 CGCDRN C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(N)cc1 ZINC000308703917 618348674 /nfs/dbraw/zinc/34/86/74/618348674.db2.gz HPOYWJKLURNAOZ-IAQYHMDHSA-N 0 0 261.369 3.359 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176128123 618354918 /nfs/dbraw/zinc/35/49/18/618354918.db2.gz RQTOEZQCAZAOPJ-HUUCEWRRSA-N 0 0 273.376 3.177 20 10 CGCDRN CC[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000255426649 618450674 /nfs/dbraw/zinc/45/06/74/618450674.db2.gz GIHZWIBOWNOWDA-FJVVXJACSA-N 0 0 294.354 3.299 20 10 CGCDRN C[S@](=O)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000121834752 618650918 /nfs/dbraw/zinc/65/09/18/618650918.db2.gz AMDFAHADXHGQKT-LJQANCHMSA-N 0 0 295.791 3.395 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1(C)CC1 ZINC000309822336 618770381 /nfs/dbraw/zinc/77/03/81/618770381.db2.gz WOZNPJCJPXIXHL-VIFPVBQESA-N 0 0 284.197 3.433 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\C(C)(C)C)c1 ZINC000255713023 618779869 /nfs/dbraw/zinc/77/98/69/618779869.db2.gz SXDFENDLPMGSAB-TYBABMIJSA-N 0 0 277.364 3.180 20 10 CGCDRN CCN(CCc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC000179435473 618783755 /nfs/dbraw/zinc/78/37/55/618783755.db2.gz KKXDIFAKSWOIDX-UHFFFAOYSA-N 0 0 299.370 3.111 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)N(C)Cc1ccccc1O ZINC000177176426 618806731 /nfs/dbraw/zinc/80/67/31/618806731.db2.gz ZJJITAVQFLQMOD-CHWSQXEVSA-N 0 0 290.407 3.358 20 10 CGCDRN Cc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c(C)o1 ZINC000162497755 618880317 /nfs/dbraw/zinc/88/03/17/618880317.db2.gz OSJUWQBLGHBJGC-UKTHLTGXSA-N 0 0 290.388 3.353 20 10 CGCDRN C[C@@H]([NH2+]C1CCSCC1)c1ccc(F)cc1[O-] ZINC000168830994 618914201 /nfs/dbraw/zinc/91/42/01/618914201.db2.gz VAILQZKVDRZGMY-SECBINFHSA-N 0 0 255.358 3.078 20 10 CGCDRN CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000094330406 618916564 /nfs/dbraw/zinc/91/65/64/618916564.db2.gz YMFDQRWLYGWOCB-CYBMUJFWSA-N 0 0 261.369 3.359 20 10 CGCDRN C[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000892840562 618942784 /nfs/dbraw/zinc/94/27/84/618942784.db2.gz QCKRBROALNOFIN-BXKDBHETSA-N 0 0 282.771 3.033 20 10 CGCDRN CCOc1ccc(C#N)cc1NCc1ccccc1O ZINC000181416652 619025406 /nfs/dbraw/zinc/02/54/06/619025406.db2.gz IQCOLMPWTHCNKR-UHFFFAOYSA-N 0 0 268.316 3.275 20 10 CGCDRN CCN(Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000182111846 619032523 /nfs/dbraw/zinc/03/25/23/619032523.db2.gz UILGXWLEJUJKOZ-UHFFFAOYSA-N 0 0 287.359 3.436 20 10 CGCDRN COc1cccc(O)c1CNc1ccc2c(c1)COC2 ZINC000776252757 619117967 /nfs/dbraw/zinc/11/79/67/619117967.db2.gz XYNHMOYDSMMUSX-UHFFFAOYSA-N 0 0 271.316 3.043 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cncc(F)c1 ZINC000310258517 619676976 /nfs/dbraw/zinc/67/69/76/619676976.db2.gz BPLJLBKXEINPEC-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN CCOCc1nc(C)cc(N[C@@H](C)c2ccccc2O)n1 ZINC000895028537 619699045 /nfs/dbraw/zinc/69/90/45/619699045.db2.gz FASQYUYWBFQCKK-LBPRGKRZSA-N 0 0 287.363 3.200 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)s1 ZINC000049149329 619703606 /nfs/dbraw/zinc/70/36/06/619703606.db2.gz UGEVRFGHWCAQBY-NSHDSACASA-N 0 0 274.389 3.059 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000895075069 619713298 /nfs/dbraw/zinc/71/32/98/619713298.db2.gz HJYCOSHJVWZYAB-LBPRGKRZSA-N 0 0 290.313 3.055 20 10 CGCDRN CN(C)c1cc(F)c(CN(C)Cc2ccns2)cc1F ZINC000895451923 619832247 /nfs/dbraw/zinc/83/22/47/619832247.db2.gz FWVAPUGLALRLKG-UHFFFAOYSA-N 0 0 297.374 3.119 20 10 CGCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(N)cc1 ZINC000841299011 619836774 /nfs/dbraw/zinc/83/67/74/619836774.db2.gz FEIMLZRTFBVDHM-JMSVASOKSA-N 0 0 273.380 3.454 20 10 CGCDRN CCc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1O ZINC000895766189 619880506 /nfs/dbraw/zinc/88/05/06/619880506.db2.gz SOMLWJGVQFIMMI-UHFFFAOYSA-N 0 0 272.348 3.110 20 10 CGCDRN Cn1cc(CN2Cc3cccc(O)c3C2)c(C2CCCC2)n1 ZINC000895783724 619885053 /nfs/dbraw/zinc/88/50/53/619885053.db2.gz BGNANKOYYRBFEL-UHFFFAOYSA-N 0 0 297.402 3.299 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895843856 619892671 /nfs/dbraw/zinc/89/26/71/619892671.db2.gz DKJMDWFXVVMDIK-YGRLFVJLSA-N 0 0 299.773 3.186 20 10 CGCDRN CC(C)c1nccc(NCc2c(O)cccc2F)n1 ZINC000895832840 619894500 /nfs/dbraw/zinc/89/45/00/619894500.db2.gz NWRJZFIVMMJRRO-UHFFFAOYSA-N 0 0 261.300 3.057 20 10 CGCDRN C[C@H](Cc1ccsc1)[NH2+]Cc1c([O-])cccc1F ZINC000896636739 620041136 /nfs/dbraw/zinc/04/11/36/620041136.db2.gz GOQDDTKTDZZCDB-SNVBAGLBSA-N 0 0 265.353 3.314 20 10 CGCDRN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CS1 ZINC000896638641 620041723 /nfs/dbraw/zinc/04/17/23/620041723.db2.gz WZIRGFSRNBVHRT-YGRLFVJLSA-N 0 0 269.385 3.151 20 10 CGCDRN Cc1cc(C)cc(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896640639 620041805 /nfs/dbraw/zinc/04/18/05/620041805.db2.gz KNHNPTSBUAWRFE-UHFFFAOYSA-N 0 0 259.324 3.438 20 10 CGCDRN CCNC(=O)CNc1cc2oc3ccccc3c2cc1OC ZINC000072948573 625392324 /nfs/dbraw/zinc/39/23/24/625392324.db2.gz UAOXMICCQLHKTH-UHFFFAOYSA-N 0 0 298.342 3.143 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000896864004 620078929 /nfs/dbraw/zinc/07/89/29/620078929.db2.gz ANWGGEADXVNHDG-DTWKUNHWSA-N 0 0 279.689 3.334 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1ccc(F)cc1[O-] ZINC000796750471 620142886 /nfs/dbraw/zinc/14/28/86/620142886.db2.gz ZEEVZYAOMSSVBG-WFASDCNBSA-N 0 0 282.403 3.302 20 10 CGCDRN Cc1cccc(O)c1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000897233835 620167145 /nfs/dbraw/zinc/16/71/45/620167145.db2.gz GXMIFUHEWAEGSR-IBGZPJMESA-N 0 0 297.398 3.494 20 10 CGCDRN CCCCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000303309506 620190199 /nfs/dbraw/zinc/19/01/99/620190199.db2.gz FGRCXFLTFVSQFC-UHFFFAOYSA-N 0 0 295.402 3.271 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(Cl)cc1[O-] ZINC000841749032 620369391 /nfs/dbraw/zinc/36/93/91/620369391.db2.gz BFIDZRJNSALYPO-NQBHXWOUSA-N 0 0 283.799 3.247 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897961099 620456899 /nfs/dbraw/zinc/45/68/99/620456899.db2.gz JVCYKOPZLSPSHY-VHSXEESVSA-N 0 0 291.372 3.087 20 10 CGCDRN COC[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000927096380 620574462 /nfs/dbraw/zinc/57/44/62/620574462.db2.gz WQKZYPDARCKOAG-NWDGAFQWSA-N 0 0 269.360 3.101 20 10 CGCDRN CCNc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000902157200 621175132 /nfs/dbraw/zinc/17/51/32/621175132.db2.gz MZORMVBISRBACW-UHFFFAOYSA-N 0 0 282.387 3.343 20 10 CGCDRN C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000903258241 621644863 /nfs/dbraw/zinc/64/48/63/621644863.db2.gz TWBJFFYGVWSTCV-JTQLQIEISA-N 0 0 297.345 3.016 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1c([O-])cccc1F ZINC000903298843 621666421 /nfs/dbraw/zinc/66/64/21/621666421.db2.gz YEXYAYKELQHVQO-RISCZKNCSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H](N[C@@H](c1ncccn1)C1CC1)c1cc(F)ccc1O ZINC000903327752 621701540 /nfs/dbraw/zinc/70/15/40/621701540.db2.gz YFOGBQACXZWURW-ZUZCIYMTSA-N 0 0 287.338 3.123 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccc(F)cc1[O-] ZINC000903332974 621707032 /nfs/dbraw/zinc/70/70/32/621707032.db2.gz WRHGBNWULQXQSG-GXFFZTMASA-N 0 0 269.360 3.386 20 10 CGCDRN Cc1cccc(CNc2ccc(N(C)C)cc2)c1O ZINC000083416571 625517393 /nfs/dbraw/zinc/51/73/93/625517393.db2.gz KQINQSOAVUAUOL-UHFFFAOYSA-N 0 0 256.349 3.379 20 10 CGCDRN Nc1ccc(NC(=O)NCC[C@@H]2CCC(F)(F)C2)cc1 ZINC000904500708 621927396 /nfs/dbraw/zinc/92/73/96/621927396.db2.gz OWKFYKLHSRUSMU-JTQLQIEISA-N 0 0 283.322 3.216 20 10 CGCDRN C/C(=C\c1ccc(N2CCOCC2)c(F)c1)c1ncccn1 ZINC000905076922 622037555 /nfs/dbraw/zinc/03/75/55/622037555.db2.gz NXNGQVOENOFHCF-ACCUITESSA-N 0 0 299.349 3.013 20 10 CGCDRN CC(C)=CCC[C@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910943464 622511692 /nfs/dbraw/zinc/51/16/92/622511692.db2.gz DDQJPYUKJABGKJ-ZDUSSCGKSA-N 0 0 291.391 3.487 20 10 CGCDRN O=C(c1cccc2c1CCN2)N1CCCc2cc(F)ccc21 ZINC000912359172 622639177 /nfs/dbraw/zinc/63/91/77/622639177.db2.gz BVRMOFHMIBZEGW-UHFFFAOYSA-N 0 0 296.345 3.387 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)N2CC=CC23CCCC3)cc1 ZINC000913205837 622744972 /nfs/dbraw/zinc/74/49/72/622744972.db2.gz HTVILISKGWMXSC-UHFFFAOYSA-N 0 0 298.346 3.174 20 10 CGCDRN C[C@H]1OCCN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H]1C ZINC000164202160 622820006 /nfs/dbraw/zinc/82/00/06/622820006.db2.gz OPZQPTKVKAVYKD-VXGBXAGGSA-N 0 0 293.407 3.005 20 10 CGCDRN C[C@H]1CC[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000164481473 622837056 /nfs/dbraw/zinc/83/70/56/622837056.db2.gz BJYLFVALCOXIIP-DZGCQCFKSA-N 0 0 274.408 3.195 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccccc1O ZINC000156867352 622848836 /nfs/dbraw/zinc/84/88/36/622848836.db2.gz IVAAFRUBTUNMSV-UHFFFAOYSA-N 0 0 285.343 3.150 20 10 CGCDRN CN(Cc1nnc(-c2ccccc2)o1)Cc1ccccc1O ZINC000171926473 623199784 /nfs/dbraw/zinc/19/97/84/623199784.db2.gz VNYNVVWTSABNLJ-UHFFFAOYSA-N 0 0 295.342 3.074 20 10 CGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000758574065 623509954 /nfs/dbraw/zinc/50/99/54/623509954.db2.gz ZOJDDBNDUPIPBA-VIFPVBQESA-N 0 0 276.263 3.155 20 10 CGCDRN C[C@H](NC(=O)C(C)(C)Nc1ccccc1)c1ccccc1O ZINC000913763392 623576402 /nfs/dbraw/zinc/57/64/02/623576402.db2.gz FKHJGRJQSIJSJY-ZDUSSCGKSA-N 0 0 298.386 3.460 20 10 CGCDRN C[C@@H]([NH2+]CCOCC1CCCC1)c1ccc(F)cc1[O-] ZINC000313249266 623638168 /nfs/dbraw/zinc/63/81/68/623638168.db2.gz DVZQXGNTCCHBPK-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)O[C@@H]3CCOC3)cc12 ZINC000916458417 624162487 /nfs/dbraw/zinc/16/24/87/624162487.db2.gz ZKJDAVZYJTUNKY-CYBMUJFWSA-N 0 0 289.331 3.099 20 10 CGCDRN O=[N+]([O-])c1ncccc1NCc1ccc(N2CCCC2)cc1 ZINC000917062567 624230785 /nfs/dbraw/zinc/23/07/85/624230785.db2.gz BOMYTVAIAOGBDA-UHFFFAOYSA-N 0 0 298.346 3.202 20 10 CGCDRN CCN(CC)C(=O)OCSc1ncc(Cl)s1 ZINC000918095745 624333468 /nfs/dbraw/zinc/33/34/68/624333468.db2.gz NXCMWLXETVWLTE-UHFFFAOYSA-N 0 0 280.802 3.325 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC2(C)COC2)cc1 ZINC000920131199 624451893 /nfs/dbraw/zinc/45/18/93/624451893.db2.gz QTQGBDWOBHRDKB-UHFFFAOYSA-N 0 0 299.370 3.287 20 10 CGCDRN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000233828343 624648862 /nfs/dbraw/zinc/64/88/62/624648862.db2.gz IZHKQSULXZJRKE-CHWSQXEVSA-N 0 0 279.409 3.065 20 10 CGCDRN CCOc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180955353 624794647 /nfs/dbraw/zinc/79/46/47/624794647.db2.gz XJRHKEBRPJGJLO-VQHVLOKHSA-N 0 0 299.326 3.148 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(O)c2)cc1 ZINC000182128549 624943164 /nfs/dbraw/zinc/94/31/64/624943164.db2.gz GFQMIIXCFGOCMK-UHFFFAOYSA-N 0 0 298.386 3.168 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2C[C@H](C)S[C@@H](C)C2)c1O ZINC000070384276 625002383 /nfs/dbraw/zinc/00/23/83/625002383.db2.gz GTUWJBWVJLJQAT-UWVGGRQHSA-N 0 0 297.395 3.060 20 10 CGCDRN CCC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756340695 625875174 /nfs/dbraw/zinc/87/51/74/625875174.db2.gz LILBMFYLUVDCEL-QWRGUYRKSA-N 0 0 265.353 3.018 20 10 CGCDRN Cc1nnc([C@@H](C)NCc2ccc3c(c2)CCCO3)s1 ZINC000921996954 625955624 /nfs/dbraw/zinc/95/56/24/625955624.db2.gz LXZAMFZDMBHCRD-SNVBAGLBSA-N 0 0 289.404 3.022 20 10 CGCDRN COc1ccc(CN[C@@H](c2ncccn2)C2CC2)cc1C ZINC000922581804 626015855 /nfs/dbraw/zinc/01/58/55/626015855.db2.gz VYNCFCDVNJGYAJ-MRXNPFEDSA-N 0 0 283.375 3.035 20 10 CGCDRN CCOC(CN(C)c1ccc(OC)c(Cl)c1)OCC ZINC000124643227 634476725 /nfs/dbraw/zinc/47/67/25/634476725.db2.gz GBASTIWFWOOSDD-UHFFFAOYSA-N 0 0 287.787 3.184 20 10 CGCDRN O=C(NCc1ccccc1O)NC1CCC(C(F)F)CC1 ZINC000838059901 626188975 /nfs/dbraw/zinc/18/89/75/626188975.db2.gz DKVPNWPAXROBBG-UHFFFAOYSA-N 0 0 298.333 3.015 20 10 CGCDRN FC(F)OC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839142628 626323112 /nfs/dbraw/zinc/32/31/12/626323112.db2.gz BXXFKFFFDOHWML-UHFFFAOYSA-N 0 0 296.361 3.100 20 10 CGCDRN COc1cccc(CN2Cc3cccc(F)c3C2)c1O ZINC000839184540 626327063 /nfs/dbraw/zinc/32/70/63/626327063.db2.gz VAIZRWANARRJOK-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000839186246 626327578 /nfs/dbraw/zinc/32/75/78/626327578.db2.gz CMEVXWYGTWMCMX-ZHAHWJHGSA-N 0 0 296.754 3.232 20 10 CGCDRN C/C(=C/C(=O)N1CCCc2cccc(C)c21)c1cnccn1 ZINC000839228465 626330862 /nfs/dbraw/zinc/33/08/62/626330862.db2.gz PVKZSOYRZLIQNE-KAMYIIQDSA-N 0 0 293.370 3.168 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccc(O)cc1 ZINC000124744512 634496015 /nfs/dbraw/zinc/49/60/15/634496015.db2.gz XMQIMUZIDAMJEO-UHFFFAOYSA-N 0 0 277.751 3.084 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCS1)c1c([O-])cccc1F ZINC000886539324 626362129 /nfs/dbraw/zinc/36/21/29/626362129.db2.gz XYVRUSXEMUSNLU-NXEZZACHSA-N 0 0 255.358 3.078 20 10 CGCDRN C/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088842 626418454 /nfs/dbraw/zinc/41/84/54/626418454.db2.gz QPPXQBIRRASROA-QHHAFSJGSA-N 0 0 271.316 3.090 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)cn1 ZINC000752996690 626443520 /nfs/dbraw/zinc/44/35/20/626443520.db2.gz OFXWFVZSDNWPEN-UHFFFAOYSA-N 0 0 297.402 3.118 20 10 CGCDRN Cc1cc(Cl)cc(CN2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155419 626561266 /nfs/dbraw/zinc/56/12/66/626561266.db2.gz HGWOKYSFHIHTPM-NSHDSACASA-N 0 0 283.799 3.353 20 10 CGCDRN C[C@@H]([NH2+]CCOc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756370441 626697640 /nfs/dbraw/zinc/69/76/40/626697640.db2.gz IPEUNWAJGCLYBD-LLVKDONJSA-N 0 0 293.313 3.400 20 10 CGCDRN CC[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000756399737 626701375 /nfs/dbraw/zinc/70/13/75/626701375.db2.gz GDVIDSGJOGELBR-DGCLKSJQSA-N 0 0 298.377 3.195 20 10 CGCDRN COCCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756495792 626709887 /nfs/dbraw/zinc/70/98/87/626709887.db2.gz AWTQQXYIRKUOQF-SNVBAGLBSA-N 0 0 273.323 3.138 20 10 CGCDRN Cc1cnc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756606879 626720644 /nfs/dbraw/zinc/72/06/44/626720644.db2.gz FGDOXZZYRYUKGV-QMMMGPOBSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C ZINC000756626148 626721313 /nfs/dbraw/zinc/72/13/13/626721313.db2.gz AEDLRQXOUHWJSN-PSAVZBARSA-N 0 0 289.375 3.052 20 10 CGCDRN CO[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000756625691 626721501 /nfs/dbraw/zinc/72/15/01/626721501.db2.gz KPHUKIAZFRUUEN-TVQRCGJNSA-N 0 0 287.350 3.382 20 10 CGCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756635870 626722780 /nfs/dbraw/zinc/72/27/80/626722780.db2.gz HUQOXVXPHVRKMV-MLGOLLRUSA-N 0 0 289.350 3.224 20 10 CGCDRN COC1CCC(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000756640478 626723233 /nfs/dbraw/zinc/72/32/33/626723233.db2.gz BKHRSRITPUDXOD-DCBWTQNWSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCS1)c1cc(F)cc(F)c1[O-] ZINC000756651189 626724635 /nfs/dbraw/zinc/72/46/35/626724635.db2.gz VHXVOKNJCQQEGL-WCBMZHEXSA-N 0 0 273.348 3.217 20 10 CGCDRN C[C@@H]([NH2+]CC1(C)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756739434 626728523 /nfs/dbraw/zinc/72/85/23/626728523.db2.gz MXIAMILAOCNRDF-SNVBAGLBSA-N 0 0 264.325 3.141 20 10 CGCDRN C[C@@H]([NH2+]CC1(C)CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756747457 626729235 /nfs/dbraw/zinc/72/92/35/626729235.db2.gz OYCPGZLXIAGZLQ-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000756769561 626730638 /nfs/dbraw/zinc/73/06/38/626730638.db2.gz MQPJDYRLRVWMHS-HERUPUMHSA-N 0 0 285.334 3.279 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000756769806 626730716 /nfs/dbraw/zinc/73/07/16/626730716.db2.gz NRUZVUWJIBRUNM-QWRGUYRKSA-N 0 0 277.364 3.018 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756816244 626734426 /nfs/dbraw/zinc/73/44/26/626734426.db2.gz BNUORIGQHKIGDD-UWVGGRQHSA-N 0 0 264.325 3.140 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(C)cn1)CCC2 ZINC000839656806 626770750 /nfs/dbraw/zinc/77/07/50/626770750.db2.gz SXRHCWQFEMZOME-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN CC(C)CC1(CNC(=O)C2=CC(=O)CS2)CCC1 ZINC000757422820 626775792 /nfs/dbraw/zinc/77/57/92/626775792.db2.gz APWNVSJBIYKDNA-UHFFFAOYSA-N 0 0 267.394 3.400 20 10 CGCDRN COc1ccc(N(C)CCOCCC(C)C)cc1F ZINC000757853206 626810351 /nfs/dbraw/zinc/81/03/51/626810351.db2.gz WMWZAOJVGHGWHJ-UHFFFAOYSA-N 0 0 269.360 3.333 20 10 CGCDRN CCOc1ccc(CN(C)c2ccc(OC)c(F)c2)nc1 ZINC000757851580 626810362 /nfs/dbraw/zinc/81/03/62/626810362.db2.gz AQQJWCIJXYYNEF-UHFFFAOYSA-N 0 0 290.338 3.264 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629428945 /nfs/dbraw/zinc/42/89/45/629428945.db2.gz DGNBITPLAQGXGU-AULYBMBSSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C3CC3)nc2C)c1 ZINC000862754821 629429159 /nfs/dbraw/zinc/42/91/59/629429159.db2.gz KZKKXYIFYXXSFC-UHFFFAOYSA-N 0 0 296.370 3.211 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000862755397 629429993 /nfs/dbraw/zinc/42/99/93/629429993.db2.gz SALLXGIIFQCBCR-BFHYXJOUSA-N 0 0 275.392 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C=C(C2CC2)C2CC2)c1 ZINC000862758712 629430721 /nfs/dbraw/zinc/43/07/21/629430721.db2.gz IEKVGGSHPNYLSX-UHFFFAOYSA-N 0 0 271.360 3.063 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C=C2CCC(C)CC2)c1 ZINC000862760067 629431595 /nfs/dbraw/zinc/43/15/95/629431595.db2.gz KVGMGFXHTZVZCL-UHFFFAOYSA-N 0 0 273.376 3.453 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)COc2ccc(C)c(C)c2)c1 ZINC000862761579 629431873 /nfs/dbraw/zinc/43/18/73/629431873.db2.gz UBFPSEXJNUBCHW-UHFFFAOYSA-N 0 0 299.370 3.013 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000793610349 629490600 /nfs/dbraw/zinc/49/06/00/629490600.db2.gz UMKLOKOUFHFFDO-CYBMUJFWSA-N 0 0 283.799 3.173 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H](F)CC1CCCCC1 ZINC000793688245 629496083 /nfs/dbraw/zinc/49/60/83/629496083.db2.gz DHZOOJIZVPJEHJ-ZDUSSCGKSA-N 0 0 295.354 3.023 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CC=CCC1 ZINC000875846469 634741134 /nfs/dbraw/zinc/74/11/34/634741134.db2.gz HHRCOFCNIFRCAJ-AWEZNQCLSA-N 0 0 288.391 3.280 20 10 CGCDRN OCc1cc2cc(NCc3ccccc3O)ccc2o1 ZINC000864040547 629735937 /nfs/dbraw/zinc/73/59/37/629735937.db2.gz DDNXVOLHVVRFGU-UHFFFAOYSA-N 0 0 269.300 3.243 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000796696079 629816158 /nfs/dbraw/zinc/81/61/58/629816158.db2.gz RXKZHPIVPRFXDB-BBRMVZONSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000796792615 629835104 /nfs/dbraw/zinc/83/51/04/629835104.db2.gz JYQZVKAGZNXFSS-AAEUAGOBSA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(F)cc1[O-] ZINC000796952227 629864336 /nfs/dbraw/zinc/86/43/36/629864336.db2.gz XRQVKAQNIJPUFR-TZMCWYRMSA-N 0 0 265.328 3.265 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(F)cc1[O-] ZINC000796952220 629864377 /nfs/dbraw/zinc/86/43/77/629864377.db2.gz XRQVKAQNIJPUFR-GXTWGEPZSA-N 0 0 265.328 3.265 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(F)cc1[O-] ZINC000796952225 629864605 /nfs/dbraw/zinc/86/46/05/629864605.db2.gz XRQVKAQNIJPUFR-OCCSQVGLSA-N 0 0 265.328 3.265 20 10 CGCDRN CC[C@H]([NH2+]CCN(C)C(C)C)c1cccc(Cl)c1[O-] ZINC000806138169 629924992 /nfs/dbraw/zinc/92/49/92/629924992.db2.gz WUWLXKNAKOPNTN-AWEZNQCLSA-N 0 0 284.831 3.427 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864863993 629936063 /nfs/dbraw/zinc/93/60/63/629936063.db2.gz UQAVGUGVTNETKF-XFKAJCMBSA-N 0 0 298.430 3.195 20 10 CGCDRN COc1cncc(NCc2cc(C)c(C)cc2O)c1 ZINC000865295091 630057551 /nfs/dbraw/zinc/05/75/51/630057551.db2.gz ZNRJJKRYINLOEK-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN C[C@@H](O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000865442305 630125252 /nfs/dbraw/zinc/12/52/52/630125252.db2.gz GDOYPKRNONQFMI-CQSZACIVSA-N 0 0 297.402 3.347 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc(F)cc1[O-] ZINC000798936576 630127679 /nfs/dbraw/zinc/12/76/79/630127679.db2.gz BUPBKHFDDZMZGU-TZMCWYRMSA-N 0 0 295.398 3.371 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc([C@@H](C)O)cn1 ZINC000865541978 630177828 /nfs/dbraw/zinc/17/78/28/630177828.db2.gz KYNOMOAJRFGSRE-CYBMUJFWSA-N 0 0 285.391 3.121 20 10 CGCDRN Cc1cccc(CN2CCCC[C@@H]2C(F)F)c1O ZINC000800532906 630291866 /nfs/dbraw/zinc/29/18/66/630291866.db2.gz ADEXTWSTMYRZTK-GFCCVEGCSA-N 0 0 255.308 3.320 20 10 CGCDRN CC[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915472 630294828 /nfs/dbraw/zinc/29/48/28/630294828.db2.gz FLLNMJTVFXEFCI-OCCSQVGLSA-N 0 0 276.424 3.154 20 10 CGCDRN C[C@H]1CC=C(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000836763691 634798225 /nfs/dbraw/zinc/79/82/25/634798225.db2.gz ZVNURVCSSOOXSZ-LBPRGKRZSA-N 0 0 259.349 3.097 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CCC(C)(C)O ZINC000801546226 630342366 /nfs/dbraw/zinc/34/23/66/630342366.db2.gz JWMDQJKYEMOZNO-UHFFFAOYSA-N 0 0 293.407 3.072 20 10 CGCDRN C[C@@H](O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000865685229 630359901 /nfs/dbraw/zinc/35/99/01/630359901.db2.gz XEXZLXLARFVSDY-CHWSQXEVSA-N 0 0 285.391 3.374 20 10 CGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccsc1 ZINC000802384984 630396971 /nfs/dbraw/zinc/39/69/71/630396971.db2.gz KDQGOIIHMVYLKB-LLVKDONJSA-N 0 0 290.388 3.356 20 10 CGCDRN Cc1cc(O)c(CNc2cnn3c2CCCC3)cc1C ZINC000865709364 630399087 /nfs/dbraw/zinc/39/90/87/630399087.db2.gz HKDBCAQCWWHFSE-UHFFFAOYSA-N 0 0 271.364 3.154 20 10 CGCDRN CCc1nc(C)cc(N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000804430858 630526870 /nfs/dbraw/zinc/52/68/70/630526870.db2.gz GFLIFOKCTUMJDN-NSHDSACASA-N 0 0 287.363 3.235 20 10 CGCDRN CCOc1cccc(CN2CCc3cccc(F)c32)c1O ZINC000809767912 630803735 /nfs/dbraw/zinc/80/37/35/630803735.db2.gz XOYUPTAFWKZZMK-UHFFFAOYSA-N 0 0 287.334 3.493 20 10 CGCDRN CN(C)c1ccc(OCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000810000212 630826535 /nfs/dbraw/zinc/82/65/35/630826535.db2.gz FKIMKFWNBHPTEA-UHFFFAOYSA-N 0 0 286.331 3.282 20 10 CGCDRN CSCCCCCCC(=O)NCCc1ccc(N)cc1 ZINC000876528586 634852357 /nfs/dbraw/zinc/85/23/57/634852357.db2.gz ZHXLIPBOHQVYIW-UHFFFAOYSA-N 0 0 294.464 3.241 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000813888034 631478034 /nfs/dbraw/zinc/47/80/34/631478034.db2.gz ZOTDHNKEXOHNHO-QMMMGPOBSA-N 0 0 296.317 3.380 20 10 CGCDRN Cc1ncccc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000814185610 631541343 /nfs/dbraw/zinc/54/13/43/631541343.db2.gz LINPFOQMKKTWMP-WQLSENKSSA-N 0 0 290.413 3.144 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000814313379 631570802 /nfs/dbraw/zinc/57/08/02/631570802.db2.gz ZFWDJSZLMLODNB-MSOLQXFVSA-N 0 0 298.430 3.339 20 10 CGCDRN C[C@H](Nc1nnc(C(F)F)o1)c1ccc(N(C)C)cc1 ZINC000814367660 631575865 /nfs/dbraw/zinc/57/58/65/631575865.db2.gz URIOAIBSTQOCDZ-QMMMGPOBSA-N 0 0 282.294 3.246 20 10 CGCDRN CCO[C@@H](C)c1nccn1Cc1ccc(N(C)C)cc1 ZINC000814756461 631634864 /nfs/dbraw/zinc/63/48/64/631634864.db2.gz OVOVALHEASIJBH-ZDUSSCGKSA-N 0 0 273.380 3.095 20 10 CGCDRN CC1(C)CCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000815163564 631733940 /nfs/dbraw/zinc/73/39/40/631733940.db2.gz PNMGBTGGFALZIV-LBPRGKRZSA-N 0 0 278.352 3.216 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2sccc2F)c1 ZINC000815834941 631827645 /nfs/dbraw/zinc/82/76/45/631827645.db2.gz FZGAKYRMAQQWBI-MRVPVSSYSA-N 0 0 295.335 3.092 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000816516421 632002253 /nfs/dbraw/zinc/00/22/53/632002253.db2.gz FHGAGTGPJIIQAH-QWRGUYRKSA-N 0 0 299.773 3.043 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1(C)CC1 ZINC000816541374 632005810 /nfs/dbraw/zinc/00/58/10/632005810.db2.gz KZSSVYFPDDMTCU-QMMMGPOBSA-N 0 0 257.736 3.463 20 10 CGCDRN CSCC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552706 632009922 /nfs/dbraw/zinc/00/99/22/632009922.db2.gz TWVAGPXAIMEGAU-MRVPVSSYSA-N 0 0 277.792 3.416 20 10 CGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1(C)C ZINC000816555040 632010291 /nfs/dbraw/zinc/01/02/91/632010291.db2.gz RICDCMKENXDAGC-OLZOCXBDSA-N 0 0 287.762 3.088 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(C2CC2)CC1 ZINC000816556345 632011586 /nfs/dbraw/zinc/01/15/86/632011586.db2.gz GRDKIPMMAZUFCU-UHFFFAOYSA-N 0 0 255.720 3.217 20 10 CGCDRN CCc1nocc1CN1CCCc2cc(OC)ccc21 ZINC000816565570 632014157 /nfs/dbraw/zinc/01/41/57/632014157.db2.gz UCUKEUKNOGAHKX-UHFFFAOYSA-N 0 0 272.348 3.198 20 10 CGCDRN CC1(C)SC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816600583 632021042 /nfs/dbraw/zinc/02/10/42/632021042.db2.gz BYPSETJYCPYTAP-LLVKDONJSA-N 0 0 275.776 3.168 20 10 CGCDRN CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816616508 632024269 /nfs/dbraw/zinc/02/42/69/632024269.db2.gz YLCIFXIIXZLLNJ-SNVBAGLBSA-N 0 0 288.794 3.003 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cc[nH]c(=O)c1 ZINC000816639185 632029189 /nfs/dbraw/zinc/02/91/89/632029189.db2.gz KLYPUEALPKLVIO-QMMMGPOBSA-N 0 0 296.729 3.136 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648981 632034929 /nfs/dbraw/zinc/03/49/29/632034929.db2.gz RNQMJYYPQGHZLE-UWVGGRQHSA-N 0 0 284.197 3.303 20 10 CGCDRN C=C=CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000816700167 632044129 /nfs/dbraw/zinc/04/41/29/632044129.db2.gz RAUBICSFMUZRLD-UHFFFAOYSA-N 0 0 266.344 3.165 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC12CC2 ZINC000817515524 632180152 /nfs/dbraw/zinc/18/01/52/632180152.db2.gz LVDBVBWSXACMHA-QGZVFWFLSA-N 0 0 298.430 3.435 20 10 CGCDRN Cc1nn(C)cc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760480 632223619 /nfs/dbraw/zinc/22/36/19/632223619.db2.gz CEZGZGPCBNGHQJ-UHFFFAOYSA-N 0 0 297.358 3.056 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000817955547 632250249 /nfs/dbraw/zinc/25/02/49/632250249.db2.gz YMDUPGNNKUQHRB-JKSUJKDBSA-N 0 0 288.366 3.272 20 10 CGCDRN Cc1cc(F)c(CNCc2ccc3c(c2)CCO3)c(F)c1 ZINC000818191107 632294682 /nfs/dbraw/zinc/29/46/82/632294682.db2.gz QTWFIVNSBHBUBM-UHFFFAOYSA-N 0 0 289.325 3.498 20 10 CGCDRN CC1(CC(=O)NCCc2ccc(N)cc2)CCCCC1 ZINC000818544879 632331765 /nfs/dbraw/zinc/33/17/65/632331765.db2.gz VEEOMVIGAVADEZ-UHFFFAOYSA-N 0 0 274.408 3.288 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC000819998337 632556717 /nfs/dbraw/zinc/55/67/17/632556717.db2.gz DWCKNLFXNGFKLH-SNVBAGLBSA-N 0 0 288.351 3.158 20 10 CGCDRN CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820478601 632635374 /nfs/dbraw/zinc/63/53/74/632635374.db2.gz JCTWDMQEJYBLCE-GWCFXTLKSA-N 0 0 288.351 3.110 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2C=CCC2)C2CC2)cc1 ZINC000821093186 632726008 /nfs/dbraw/zinc/72/60/08/632726008.db2.gz VISUCZDCAOONOQ-HNNXBMFYSA-N 0 0 299.418 3.145 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2ccn(CCF)n2)cc1 ZINC000865835980 632907869 /nfs/dbraw/zinc/90/78/69/632907869.db2.gz MKXUPFDPDMISHU-ONEGZZNKSA-N 0 0 288.370 3.044 20 10 CGCDRN CC(C)(C)c1nnc(N2Cc3cccc(O)c3C2)s1 ZINC000866117048 633004075 /nfs/dbraw/zinc/00/40/75/633004075.db2.gz FIVYTKALPYDZTH-UHFFFAOYSA-N 0 0 275.377 3.061 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822863936 633032330 /nfs/dbraw/zinc/03/23/30/633032330.db2.gz UZTFYNHYOYSGOL-ZIAGYGMSSA-N 0 0 292.398 3.334 20 10 CGCDRN CC(C)c1cc(N[C@H](C)c2ccccc2O)n2ncnc2n1 ZINC000866236510 633038257 /nfs/dbraw/zinc/03/82/57/633038257.db2.gz BULPMWZRUURHPW-LLVKDONJSA-N 0 0 297.362 3.126 20 10 CGCDRN C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823475827 633111532 /nfs/dbraw/zinc/11/15/32/633111532.db2.gz UYROVKPQYJUFKK-SNVBAGLBSA-N 0 0 288.351 3.252 20 10 CGCDRN C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000866416227 633128464 /nfs/dbraw/zinc/12/84/64/633128464.db2.gz PSHBKZLOWFKBAS-HLTSFMKQSA-N 0 0 290.190 3.121 20 10 CGCDRN C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(F)cc1[O-] ZINC000866566056 633196472 /nfs/dbraw/zinc/19/64/72/633196472.db2.gz XEWAVJHSFLCOTE-MRVPVSSYSA-N 0 0 299.296 3.053 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)CC ZINC000824234571 633215615 /nfs/dbraw/zinc/21/56/15/633215615.db2.gz MXDOLRQOLFYZJW-UHFFFAOYSA-N 0 0 284.350 3.146 20 10 CGCDRN CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OC ZINC000824597564 633263228 /nfs/dbraw/zinc/26/32/28/633263228.db2.gz URGPYWJHRSBVQY-YMTOWFKASA-N 0 0 289.778 3.335 20 10 CGCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)CC(F)F ZINC000868734525 633356756 /nfs/dbraw/zinc/35/67/56/633356756.db2.gz VJXOCVRHHKEQFU-ZJUUUORDSA-N 0 0 286.322 3.044 20 10 CGCDRN CC[C@H](NCc1cc(Cl)c(C)cc1O)C(F)F ZINC000826029269 633399086 /nfs/dbraw/zinc/39/90/86/633399086.db2.gz BUUPLJQBKDXYJQ-JTQLQIEISA-N 0 0 263.715 3.487 20 10 CGCDRN CC[C@H](COCC1CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000826868322 633438738 /nfs/dbraw/zinc/43/87/38/633438738.db2.gz QOXUMPZOIAXIRU-CYBMUJFWSA-N 0 0 283.799 3.340 20 10 CGCDRN Cc1ccncc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000826926909 633444149 /nfs/dbraw/zinc/44/41/49/633444149.db2.gz QLPTZJCXISVVIJ-UHFFFAOYSA-N 0 0 276.767 3.081 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)=C2CCC2)c1 ZINC000827303803 633480650 /nfs/dbraw/zinc/48/06/50/633480650.db2.gz OKSNAARAUKPTTO-NSHDSACASA-N 0 0 275.348 3.078 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])nc1 ZINC000827783942 633517253 /nfs/dbraw/zinc/51/72/53/633517253.db2.gz UFWBXOVTLLDMPH-UHFFFAOYSA-N 0 0 287.319 3.112 20 10 CGCDRN CCOc1ccc(CN(C)c2cccc(O)c2)c(O)c1 ZINC000827909674 633533692 /nfs/dbraw/zinc/53/36/92/633533692.db2.gz WRQXDSXUILPRQN-UHFFFAOYSA-N 0 0 273.332 3.133 20 10 CGCDRN COc1ccc(C)cc1CC(=O)N[C@H](C)c1ccccc1O ZINC000827923434 633534619 /nfs/dbraw/zinc/53/46/19/633534619.db2.gz PQOASMLMJNYXHV-CYBMUJFWSA-N 0 0 299.370 3.129 20 10 CGCDRN CCO[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827930966 633535766 /nfs/dbraw/zinc/53/57/66/633535766.db2.gz XFDLRDJTPQPQIY-CXAGYDPISA-N 0 0 299.370 3.347 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)c1ccsc1)c1ccccc1O ZINC000827937314 633536695 /nfs/dbraw/zinc/53/66/95/633536695.db2.gz RMSUMPKORCZIEM-WDEREUQCSA-N 0 0 275.373 3.435 20 10 CGCDRN CC[C@@H](OC1CCCC1)C(=O)N[C@H](C)c1ccccc1O ZINC000827937256 633536722 /nfs/dbraw/zinc/53/67/22/633536722.db2.gz PYBRGIQKRSJZLT-MLGOLLRUSA-N 0 0 291.391 3.307 20 10 CGCDRN CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)c1cccnc1 ZINC000827946362 633538302 /nfs/dbraw/zinc/53/83/02/633538302.db2.gz FURDTFYYRXQDCH-DYVFJYSZSA-N 0 0 298.386 3.404 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1ccccc1O ZINC000827960246 633541442 /nfs/dbraw/zinc/54/14/42/633541442.db2.gz MHXVZHYRQUDKHR-KNXALSJPSA-N 0 0 297.354 3.079 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964043 633542005 /nfs/dbraw/zinc/54/20/05/633542005.db2.gz GIVDTWULZFNDKS-SGMGOOAPSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964236 633542185 /nfs/dbraw/zinc/54/21/85/633542185.db2.gz IMKPUZALGCQYCN-KGLIPLIRSA-N 0 0 283.371 3.448 20 10 CGCDRN CCO[C@H](CC(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000827973571 633543561 /nfs/dbraw/zinc/54/35/61/633543561.db2.gz SZXIPKSWZMHTTC-SWLSCSKDSA-N 0 0 279.380 3.021 20 10 CGCDRN CCn1c(C)cc(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000827981677 633544470 /nfs/dbraw/zinc/54/44/70/633544470.db2.gz DSJHBACFZRXAQT-LBPRGKRZSA-N 0 0 286.375 3.321 20 10 CGCDRN C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1O ZINC000827985732 633544867 /nfs/dbraw/zinc/54/48/67/633544867.db2.gz LQPRGWUUPNOFRU-ZDUSSCGKSA-N 0 0 295.382 3.301 20 10 CGCDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000828609252 633634159 /nfs/dbraw/zinc/63/41/59/633634159.db2.gz LOFUJXBRFIKCMS-ZBFHGGJFSA-N 0 0 274.408 3.286 20 10 CGCDRN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000871197973 633722563 /nfs/dbraw/zinc/72/25/63/633722563.db2.gz BYEFXAOFOMYPAN-HUUCEWRRSA-N 0 0 297.329 3.177 20 10 CGCDRN O=C(CCCc1cccs1)N1Cc2cccc(O)c2C1 ZINC000871198990 633722918 /nfs/dbraw/zinc/72/29/18/633722918.db2.gz MIIBEVRARPCBHF-UHFFFAOYSA-N 0 0 287.384 3.319 20 10 CGCDRN C[C@H]1CCC[C@@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205128 633725177 /nfs/dbraw/zinc/72/51/77/633725177.db2.gz OOIAKNPSAJGMIO-MEDUHNTESA-N 0 0 259.349 3.061 20 10 CGCDRN C[C@H]1CCC[C@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204922 633725281 /nfs/dbraw/zinc/72/52/81/633725281.db2.gz SNCULVUHYGJFHX-RYUDHWBXSA-N 0 0 259.349 3.061 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)C1CC2(C1)CCCCC2 ZINC000830558999 633870804 /nfs/dbraw/zinc/87/08/04/633870804.db2.gz GEACKUFSQSGHHM-UHFFFAOYSA-N 0 0 289.375 3.075 20 10 CGCDRN COc1ccc(N(CCC(C)(C)O)CC2CC2)cc1 ZINC000831588385 633980084 /nfs/dbraw/zinc/98/00/84/633980084.db2.gz ZDFXEOMWFWTLHM-UHFFFAOYSA-N 0 0 263.381 3.073 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(F)cc1[O-] ZINC000872108542 634031400 /nfs/dbraw/zinc/03/14/00/634031400.db2.gz AEHDCMICCYHNJX-NGOBNIPXSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)CCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000846209414 636159284 /nfs/dbraw/zinc/15/92/84/636159284.db2.gz RCWUXZRXUDMAQK-YUMQZZPRSA-N 0 0 296.169 3.070 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000846209412 636159453 /nfs/dbraw/zinc/15/94/53/636159453.db2.gz RCWUXZRXUDMAQK-JGVFFNPUSA-N 0 0 296.169 3.070 20 10 CGCDRN Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000872133837 634056095 /nfs/dbraw/zinc/05/60/95/634056095.db2.gz PCKIEXIEYZHDHO-KOLCDFICSA-N 0 0 275.327 3.042 20 10 CGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@H]1c1cccnc1 ZINC000832487901 634064677 /nfs/dbraw/zinc/06/46/77/634064677.db2.gz AZVIWKGDOBLAEE-ZDUSSCGKSA-N 0 0 288.372 3.072 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Cl)ccc1O ZINC000834903082 634279985 /nfs/dbraw/zinc/27/99/85/634279985.db2.gz IAFJPVPAFJWKMA-TVQRCGJNSA-N 0 0 269.772 3.121 20 10 CGCDRN COCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000834906318 634281897 /nfs/dbraw/zinc/28/18/97/634281897.db2.gz OYKBIGCMYDNRJM-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000834906319 634282340 /nfs/dbraw/zinc/28/23/40/634282340.db2.gz OYKBIGCMYDNRJM-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN CCn1cc(NC/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835041378 634329296 /nfs/dbraw/zinc/32/92/96/634329296.db2.gz KPNIPNXCEICCKW-WAYWQWQTSA-N 0 0 270.380 3.094 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)nc1 ZINC000835066436 634344723 /nfs/dbraw/zinc/34/47/23/634344723.db2.gz WNCHQHTUFKZDCP-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCCC3(CCOCC3)C2)ccc(F)c1F ZINC000876746457 634890168 /nfs/dbraw/zinc/89/01/68/634890168.db2.gz YEMLKXURVJZNRW-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN COc1ccc(NCc2c(C)cccc2O)c(OC)c1 ZINC000876817410 634904429 /nfs/dbraw/zinc/90/44/29/634904429.db2.gz GXKMVQGOTZYJEV-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN C[C@@]1(COC(=O)C2=CC(=O)CS2)CC1(Cl)Cl ZINC000837516116 634922979 /nfs/dbraw/zinc/92/29/79/634922979.db2.gz XKDPXHMTGYPGDD-VIFPVBQESA-N 0 0 281.160 3.194 20 10 CGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)C1CCCCC1 ZINC000837512940 634922970 /nfs/dbraw/zinc/92/29/70/634922970.db2.gz FITGDPUTQFACJF-VIFPVBQESA-N 0 0 282.361 3.148 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(N2CCCC2)cn1 ZINC000876954623 634936633 /nfs/dbraw/zinc/93/66/33/634936633.db2.gz NDRCYIFIUJECFM-UHFFFAOYSA-N 0 0 283.375 3.308 20 10 CGCDRN Cc1ccccc1CO[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074200 634972830 /nfs/dbraw/zinc/97/28/30/634972830.db2.gz BUGDGJBMBGTIDQ-CQSZACIVSA-N 0 0 298.386 3.145 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877075785 634973356 /nfs/dbraw/zinc/97/33/56/634973356.db2.gz HLFFIGBIRLHPLZ-KBPBESRZSA-N 0 0 286.400 3.405 20 10 CGCDRN CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877075872 634973973 /nfs/dbraw/zinc/97/39/73/634973973.db2.gz QWFPQSFUMQCGAQ-LRDDRELGSA-N 0 0 299.361 3.211 20 10 CGCDRN CN(C(=O)c1ccc(OCC2CC2)cc1)c1ccc(N)cc1 ZINC000877078607 634975350 /nfs/dbraw/zinc/97/53/50/634975350.db2.gz WQCBUXAMDZRZDY-UHFFFAOYSA-N 0 0 296.370 3.334 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877122885 634991569 /nfs/dbraw/zinc/99/15/69/634991569.db2.gz BYJFADHLFQBWQL-YPMHNXCESA-N 0 0 299.361 3.354 20 10 CGCDRN CC[C@@H]([NH2+]CCc1cn(C)cn1)c1cccc(Cl)c1[O-] ZINC000840763616 635049284 /nfs/dbraw/zinc/04/92/84/635049284.db2.gz KTRWZDAXOWMBQN-CQSZACIVSA-N 0 0 293.798 3.063 20 10 CGCDRN CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000840847732 635064188 /nfs/dbraw/zinc/06/41/88/635064188.db2.gz UTEJPUQTCPOLCT-NJAPINKUSA-N 0 0 283.371 3.355 20 10 CGCDRN CCOC1CC2(C1)CC[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC000877519878 635069678 /nfs/dbraw/zinc/06/96/78/635069678.db2.gz LMYDVXGUJPJDJJ-UHFFFAOYSA-N 0 0 297.345 3.061 20 10 CGCDRN Cc1noc([C@@H]2CCCCN2Cc2ccc(C)cc2O)n1 ZINC000877524611 635072145 /nfs/dbraw/zinc/07/21/45/635072145.db2.gz ZMBOYHNWJJHIAH-AWEZNQCLSA-N 0 0 287.363 3.119 20 10 CGCDRN Cc1cc(O)c(CN2CCc3ncsc3C2)c(Cl)c1 ZINC000840939108 635087429 /nfs/dbraw/zinc/08/74/29/635087429.db2.gz KSWZTIGCCMHNNW-UHFFFAOYSA-N 0 0 294.807 3.369 20 10 CGCDRN CC[C@H](NCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000840941704 635088196 /nfs/dbraw/zinc/08/81/96/635088196.db2.gz IMCGJZGLSZXQLS-ZDUSSCGKSA-N 0 0 274.330 3.492 20 10 CGCDRN Cc1cccnc1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877565326 635094512 /nfs/dbraw/zinc/09/45/12/635094512.db2.gz FQXWFUDQISAPKL-UHFFFAOYSA-N 0 0 292.329 3.096 20 10 CGCDRN [O-]c1c(C[NH+]2CC(CC(F)(F)F)C2)ccc(F)c1F ZINC000877579980 635100463 /nfs/dbraw/zinc/10/04/63/635100463.db2.gz BIHMCRDWWVSCTA-UHFFFAOYSA-N 0 0 281.224 3.055 20 10 CGCDRN Oc1cccc2c1C[N@H+](C[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000877702580 635154176 /nfs/dbraw/zinc/15/41/76/635154176.db2.gz CDZIJCRDUHCTQA-HNNXBMFYSA-N 0 0 294.398 3.234 20 10 CGCDRN Cc1ccc(CN2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000877703368 635155674 /nfs/dbraw/zinc/15/56/74/635155674.db2.gz DZIPHZCSNOATCN-UHFFFAOYSA-N 0 0 284.315 3.125 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)OCCCF)cc1 ZINC000841477878 635182313 /nfs/dbraw/zinc/18/23/13/635182313.db2.gz KQWAFNAQMZRHKA-UHFFFAOYSA-N 0 0 282.359 3.119 20 10 CGCDRN Nc1ccc(CCNC(=O)NC2CCCCCCC2)cc1 ZINC000841614422 635197490 /nfs/dbraw/zinc/19/74/90/635197490.db2.gz LEKTZPGSFPDNLQ-UHFFFAOYSA-N 0 0 289.423 3.223 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000841745582 635222298 /nfs/dbraw/zinc/22/22/98/635222298.db2.gz QIYVNXJWHTWCMA-CMPLNLGQSA-N 0 0 269.772 3.265 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743995 635222596 /nfs/dbraw/zinc/22/25/96/635222596.db2.gz DVAKCUPCJQZEGZ-YGRLFVJLSA-N 0 0 282.815 3.036 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751479 635225270 /nfs/dbraw/zinc/22/52/70/635225270.db2.gz NFLROJDDDDLEGW-NSHDSACASA-N 0 0 285.815 3.495 20 10 CGCDRN CO[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC(C)C ZINC000841755013 635228658 /nfs/dbraw/zinc/22/86/58/635228658.db2.gz FNCPLJJIVYHJRD-JQWIXIFHSA-N 0 0 287.350 3.382 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756846 635229727 /nfs/dbraw/zinc/22/97/27/635229727.db2.gz AOYBXRYZLHBTFU-YGRLFVJLSA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841761233 635233302 /nfs/dbraw/zinc/23/33/02/635233302.db2.gz XIRPUGZUTJGZJE-PGUXBMHVSA-N 0 0 294.826 3.179 20 10 CGCDRN CC[C@H](CC[NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000841820319 635239299 /nfs/dbraw/zinc/23/92/99/635239299.db2.gz PXQLPRGDPDHFGJ-OAHLLOKOSA-N 0 0 292.423 3.123 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cccc(Cl)c1O)N2 ZINC000877861074 635242767 /nfs/dbraw/zinc/24/27/67/635242767.db2.gz FMRPBOMMERBSJU-CQSZACIVSA-N 0 0 288.734 3.208 20 10 CGCDRN CC1(C)CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841834405 635242880 /nfs/dbraw/zinc/24/28/80/635242880.db2.gz IZFHEVZEJDYRBR-UHFFFAOYSA-N 0 0 289.423 3.079 20 10 CGCDRN CC[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841953758 635251766 /nfs/dbraw/zinc/25/17/66/635251766.db2.gz CGJCTFXFRCTIRV-CQSZACIVSA-N 0 0 289.423 3.033 20 10 CGCDRN C[C@H]1CCC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958278 635252963 /nfs/dbraw/zinc/25/29/63/635252963.db2.gz XUFQPPVDPJCXPJ-BBRMVZONSA-N 0 0 289.423 3.031 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000104616818 635272105 /nfs/dbraw/zinc/27/21/05/635272105.db2.gz BOKQRNMOFSCLDO-BLLLJJGKSA-N 0 0 297.402 3.408 20 10 CGCDRN CCOc1ccc(N(C)Cc2nc(C3CCC3)no2)cc1 ZINC000878125604 635367401 /nfs/dbraw/zinc/36/74/01/635367401.db2.gz PDGXBOAQDRBSCQ-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN CCN(Cc1nc(C2CCC2)no1)c1ccc(OC)cc1 ZINC000878219671 635419927 /nfs/dbraw/zinc/41/99/27/635419927.db2.gz OUUNGBSGYHYTQQ-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN CC[C@H](N[C@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000842926416 635513061 /nfs/dbraw/zinc/51/30/61/635513061.db2.gz XWOGPTRXMAPOPW-OCCSQVGLSA-N 0 0 293.407 3.472 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843047919 635549574 /nfs/dbraw/zinc/54/95/74/635549574.db2.gz BNINUFUVVSXUHN-HUUCEWRRSA-N 0 0 294.826 3.152 20 10 CGCDRN C/C(=C\c1nc(Cc2ccc(N)cc2)no1)C1CC1 ZINC000843159491 635588866 /nfs/dbraw/zinc/58/88/66/635588866.db2.gz RBGLJYQECZRISV-CSKARUKUSA-N 0 0 255.321 3.056 20 10 CGCDRN Cc1nc(C2CC2)oc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000843159946 635588926 /nfs/dbraw/zinc/58/89/26/635588926.db2.gz SWIPMJLKPDPODT-UHFFFAOYSA-N 0 0 296.330 3.083 20 10 CGCDRN CCC1(c2noc(Cc3ccc(N)cc3)n2)CCCC1 ZINC000843224456 635613999 /nfs/dbraw/zinc/61/39/99/635613999.db2.gz LYLIUGPTSAFNAS-UHFFFAOYSA-N 0 0 271.364 3.464 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000879539513 635807068 /nfs/dbraw/zinc/80/70/68/635807068.db2.gz XZARHLKWPWRHBA-PVUWLOKVSA-N 0 0 286.419 3.366 20 10 CGCDRN Oc1ccc2ccncc2c1CN1CCCC(F)(F)C1 ZINC000844713516 635956736 /nfs/dbraw/zinc/95/67/36/635956736.db2.gz GFPHXMLRBJJUKC-UHFFFAOYSA-N 0 0 278.302 3.172 20 10 CGCDRN COc1cccc(CNC(=O)C[C@H](C)CC(C)C)c1O ZINC000105650012 635976462 /nfs/dbraw/zinc/97/64/62/635976462.db2.gz IWPKDOZRSNIKBW-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NC1CC2(CCC2)C1 ZINC000845728874 636087190 /nfs/dbraw/zinc/08/71/90/636087190.db2.gz UZIWIELZPKLYHN-UHFFFAOYSA-N 0 0 294.782 3.178 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000845999277 636128491 /nfs/dbraw/zinc/12/84/91/636128491.db2.gz VZUQNSDUXQSYNG-UHFFFAOYSA-N 0 0 285.269 3.074 20 10 CGCDRN CCC1(CC)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000211677296 636132460 /nfs/dbraw/zinc/13/24/60/636132460.db2.gz OXNFLNNPZWKJJU-UHFFFAOYSA-N 0 0 263.381 3.413 20 10 CGCDRN C[C@@]1(CCNC(=O)Nc2ccc(N)cc2)C[C@@]1(F)Cl ZINC000846310930 636175165 /nfs/dbraw/zinc/17/51/65/636175165.db2.gz RTNFOIHRFPESBY-OLZOCXBDSA-N 0 0 285.750 3.095 20 10 CGCDRN CC(=O)C(C)(C)CCC(=O)NCc1cc(Cl)ccc1O ZINC000846477891 636188976 /nfs/dbraw/zinc/18/89/76/636188976.db2.gz WVPNSKWDFRMGJP-UHFFFAOYSA-N 0 0 297.782 3.057 20 10 CGCDRN Cc1oc(C)c(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846479604 636189842 /nfs/dbraw/zinc/18/98/42/636189842.db2.gz NEWICPWCEGEQPQ-UHFFFAOYSA-N 0 0 293.750 3.494 20 10 CGCDRN CC(C)(C)SCC(=O)NCc1cc(Cl)ccc1O ZINC000846478834 636189872 /nfs/dbraw/zinc/18/98/72/636189872.db2.gz FPDIEJLFAAASTK-UHFFFAOYSA-N 0 0 287.812 3.194 20 10 CGCDRN C[C@@H](NC(=O)NC1(C)CC=CC1)c1ccc(N(C)C)cc1 ZINC000847356452 636383147 /nfs/dbraw/zinc/38/31/47/636383147.db2.gz RXDXOHZOXWBHHF-CYBMUJFWSA-N 0 0 287.407 3.222 20 10 CGCDRN C[C@@H](C1CC1)n1nccc1NCc1cc(F)cc(F)c1O ZINC000882963006 636481313 /nfs/dbraw/zinc/48/13/13/636481313.db2.gz KOFFCGUCFPHRSA-VIFPVBQESA-N 0 0 293.317 3.450 20 10 CGCDRN CCOc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)cc1 ZINC000130658335 636491995 /nfs/dbraw/zinc/49/19/95/636491995.db2.gz FDYKXIKQSWBSAX-BJMVGYQFSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCCCC2)c(O)c1 ZINC000130799296 636513408 /nfs/dbraw/zinc/51/34/08/636513408.db2.gz XNPCCNJMJWAQQY-CQSZACIVSA-N 0 0 277.408 3.294 20 10 CGCDRN COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(N)cc1)CCC2 ZINC000848392856 636566852 /nfs/dbraw/zinc/56/68/52/636566852.db2.gz ILYYOELLGGGIBU-INIZCTEOSA-N 0 0 296.370 3.336 20 10 CGCDRN CC(C)(F)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883192938 636576681 /nfs/dbraw/zinc/57/66/81/636576681.db2.gz LIXDYIHMCKFUJI-UHFFFAOYSA-N 0 0 294.139 3.132 20 10 CGCDRN C[C@H](NC1(c2ncccn2)CCC1)c1ccc(N(C)C)cc1 ZINC000883314269 636664527 /nfs/dbraw/zinc/66/45/27/636664527.db2.gz ZUXAGECYIHOYFF-AWEZNQCLSA-N 0 0 296.418 3.273 20 10 CGCDRN COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000883319904 636670740 /nfs/dbraw/zinc/67/07/40/636670740.db2.gz UQJLXLWDXPAEBD-FOGDFJRCSA-N 0 0 269.772 3.121 20 10 CGCDRN CCc1cccc(CNc2cnc3c(c2)c(C)nn3C)c1O ZINC000848900809 636681933 /nfs/dbraw/zinc/68/19/33/636681933.db2.gz KFEQZLBESVZKCT-UHFFFAOYSA-N 0 0 296.374 3.157 20 10 CGCDRN CCc1cccc(CNc2ccc(OC3COC3)cc2)c1O ZINC000848905743 636683743 /nfs/dbraw/zinc/68/37/43/636683743.db2.gz NGHMFKRIAHIEOO-UHFFFAOYSA-N 0 0 299.370 3.344 20 10 CGCDRN CCc1cccc(CN[C@H](C(=O)OC(C)C)C(C)C)c1O ZINC000848916488 636689669 /nfs/dbraw/zinc/68/96/69/636689669.db2.gz VGUSZBPYMFKNJA-HNNXBMFYSA-N 0 0 293.407 3.020 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(C3CCC3)o2)cc1F ZINC000849163974 636757291 /nfs/dbraw/zinc/75/72/91/636757291.db2.gz DRDHKMJSFPJEHP-UHFFFAOYSA-N 0 0 290.342 3.154 20 10 CGCDRN COc1ccc(COc2ccc(N3CCCC3)cc2)cn1 ZINC000132036969 636774750 /nfs/dbraw/zinc/77/47/50/636774750.db2.gz YABJBHLIPPWQBI-UHFFFAOYSA-N 0 0 284.359 3.269 20 10 CGCDRN CC[C@@H](C)NC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849998334 636924191 /nfs/dbraw/zinc/92/41/91/636924191.db2.gz DPGIQSBFCSCVNW-RNFRBKRXSA-N 0 0 278.830 3.192 20 10 CGCDRN Clc1cnn(CCSc2ncc(Cl)s2)c1 ZINC000850001059 636924895 /nfs/dbraw/zinc/92/48/95/636924895.db2.gz AGJMUECGZSAEQU-UHFFFAOYSA-N 0 0 280.205 3.439 20 10 CGCDRN COCC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000850345354 637022024 /nfs/dbraw/zinc/02/20/24/637022024.db2.gz VVEOHJGUPXXPRL-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN C[C@@H]([NH2+]CC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000134912224 637050314 /nfs/dbraw/zinc/05/03/14/637050314.db2.gz CWKABGUECNTYOA-SSDOTTSWSA-N 0 0 288.160 3.354 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000850482268 637085962 /nfs/dbraw/zinc/08/59/62/637085962.db2.gz RBPAQMFVEUBUHF-ZFWWWQNUSA-N 0 0 294.414 3.445 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C1CC1 ZINC000850541329 637114769 /nfs/dbraw/zinc/11/47/69/637114769.db2.gz YREYIWXAMYGAMD-IINYFYTJSA-N 0 0 277.364 3.018 20 10 CGCDRN COc1ccc(N(C[C@H]2C[C@]23CCOC3)C(C)C)cc1F ZINC000886060252 637394111 /nfs/dbraw/zinc/39/41/11/637394111.db2.gz YFDLNORAVSHQPI-DYVFJYSZSA-N 0 0 293.382 3.476 20 10 CGCDRN CCc1nocc1CN(CC)c1ccc(OC)cc1 ZINC000851827058 637514796 /nfs/dbraw/zinc/51/47/96/637514796.db2.gz ABZGOSQOGZVTAZ-UHFFFAOYSA-N 0 0 260.337 3.272 20 10 CGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1c([O-])cccc1F ZINC000886531218 637556944 /nfs/dbraw/zinc/55/69/44/637556944.db2.gz YCWXPYROKYYEIF-BONVTDFDSA-N 0 0 295.379 3.151 20 10 CGCDRN CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886532665 637558150 /nfs/dbraw/zinc/55/81/50/637558150.db2.gz MPYBLEICHYNUSJ-GARJFASQSA-N 0 0 269.385 3.466 20 10 CGCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886535031 637559927 /nfs/dbraw/zinc/55/99/27/637559927.db2.gz TXFCTEFPOMCLKZ-SWLSCSKDSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1c([O-])cccc1F ZINC000886587560 637593523 /nfs/dbraw/zinc/59/35/23/637593523.db2.gz BCFCSHPTYSRRPO-MNOVXSKESA-N 0 0 269.385 3.468 20 10 CGCDRN Cc1cccc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886603459 637600336 /nfs/dbraw/zinc/60/03/36/637600336.db2.gz ORFCFWLPFPCHGH-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCSC1)c1c([O-])cccc1F ZINC000886611141 637602641 /nfs/dbraw/zinc/60/26/41/637602641.db2.gz UMOOTUOMJVBGNW-QWRGUYRKSA-N 0 0 269.385 3.325 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCSC1)c1c([O-])cccc1F ZINC000886611142 637605233 /nfs/dbraw/zinc/60/52/33/637605233.db2.gz UMOOTUOMJVBGNW-WDEREUQCSA-N 0 0 269.385 3.325 20 10 CGCDRN COC1([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886627053 637616212 /nfs/dbraw/zinc/61/62/12/637616212.db2.gz RPRLEVDQCJFSSC-GHMZBOCLSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1c([O-])cccc1F ZINC000886627004 637617043 /nfs/dbraw/zinc/61/70/43/637617043.db2.gz QISHBCTWANREKD-HOSYDEDBSA-N 0 0 255.308 3.463 20 10 CGCDRN Cc1ccncc1CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886636340 637621898 /nfs/dbraw/zinc/62/18/98/637621898.db2.gz LSHSFQSRLRKNHP-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN C[C@H](N[C@@H](C)c1c(O)cccc1F)c1cscn1 ZINC000886636906 637623053 /nfs/dbraw/zinc/62/30/53/637623053.db2.gz XQVZEOZARYXSGL-IUCAKERBSA-N 0 0 266.341 3.400 20 10 CGCDRN CCn1ncc(N[C@H](C)c2c(O)cccc2F)c1C ZINC000886650499 637629417 /nfs/dbraw/zinc/62/94/17/637629417.db2.gz XYSVBOVZQLDAGC-SECBINFHSA-N 0 0 263.316 3.229 20 10 CGCDRN CCN(C)c1ccc(CN[C@H](C)c2cscn2)cc1 ZINC000852416144 637649741 /nfs/dbraw/zinc/64/97/41/637649741.db2.gz DPXGVWOVZAYORX-GFCCVEGCSA-N 0 0 275.421 3.450 20 10 CGCDRN CC[C@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000852490927 637662125 /nfs/dbraw/zinc/66/21/25/637662125.db2.gz QQEXOYLIVVLVMY-RYUDHWBXSA-N 0 0 294.395 3.197 20 10 CGCDRN CC[C@H](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852492445 637663802 /nfs/dbraw/zinc/66/38/02/637663802.db2.gz QYQFDVINJRAXSU-AWEZNQCLSA-N 0 0 291.439 3.330 20 10 CGCDRN CCCC(=O)c1ncccc1NCc1ccccc1O ZINC000853244940 637792870 /nfs/dbraw/zinc/79/28/70/637792870.db2.gz RIGDPRGCXJHPTC-UHFFFAOYSA-N 0 0 270.332 3.382 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccnc1 ZINC000887571122 637858313 /nfs/dbraw/zinc/85/83/13/637858313.db2.gz YNXZUOXNYCVISC-UHFFFAOYSA-N 0 0 254.333 3.043 20 10 CGCDRN C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000853541296 637865751 /nfs/dbraw/zinc/86/57/51/637865751.db2.gz FUXVFZZDNYLHEN-CYBMUJFWSA-N 0 0 298.386 3.084 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(F)ncn1 ZINC000853692730 637894319 /nfs/dbraw/zinc/89/43/19/637894319.db2.gz YPSLUIIYHWHFGT-GFCCVEGCSA-N 0 0 288.370 3.033 20 10 CGCDRN COc1ccc(N2CC[C@@H](Nc3ncc(C)s3)C2)cc1 ZINC000853759100 637911376 /nfs/dbraw/zinc/91/13/76/637911376.db2.gz PDMRISGRAFHWJX-GFCCVEGCSA-N 0 0 289.404 3.151 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(F)cc1[O-] ZINC000854226108 638027346 /nfs/dbraw/zinc/02/73/46/638027346.db2.gz NXAOAAJYGKXNHG-MGPLVRAMSA-N 0 0 286.350 3.452 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(F)s2)cc1 ZINC000854324395 638043333 /nfs/dbraw/zinc/04/33/33/638043333.db2.gz JQSRTHRXHGTJBG-UHFFFAOYSA-N 0 0 292.379 3.225 20 10 CGCDRN CC(C)c1scnc1NC(=O)C1=CC(=O)CS1 ZINC000854493667 638060340 /nfs/dbraw/zinc/06/03/40/638060340.db2.gz GQYKJZSLCWOZLT-UHFFFAOYSA-N 0 0 268.363 3.286 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N2CCCC(C)(C)C2)cc1 ZINC000112712956 638110212 /nfs/dbraw/zinc/11/02/12/638110212.db2.gz YTNMHBXOWYBIBH-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN CN(C[C@H]1CCc2ccccc21)C(=O)C1=CC(=O)CS1 ZINC000856306313 638341733 /nfs/dbraw/zinc/34/17/33/638341733.db2.gz XYFCTIVZNVDKLJ-GFCCVEGCSA-N 0 0 287.384 3.256 20 10 CGCDRN CCCC[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000857159319 638464735 /nfs/dbraw/zinc/46/47/35/638464735.db2.gz NFQMHXQKNGUOHB-AWEZNQCLSA-N 0 0 293.407 3.219 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000115281600 638515645 /nfs/dbraw/zinc/51/56/45/638515645.db2.gz WQMVOQFMIBEOOE-UHFFFAOYSA-N 0 0 282.387 3.299 20 10 CGCDRN Cc1cc(F)ccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547879 638516184 /nfs/dbraw/zinc/51/61/84/638516184.db2.gz YLZHFFKMFROFER-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN COCCN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000857834538 638575268 /nfs/dbraw/zinc/57/52/68/638575268.db2.gz JPVYDXPGTZCHBD-UHFFFAOYSA-N 0 0 271.360 3.348 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)F)o2)cc1 ZINC000858161457 638646679 /nfs/dbraw/zinc/64/66/79/638646679.db2.gz QWRZMADSGQAXJG-UHFFFAOYSA-N 0 0 294.301 3.213 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)C(C)(C)C)c1 ZINC000858224118 638659635 /nfs/dbraw/zinc/65/96/35/638659635.db2.gz WFXFDPNGYGZFAL-GFCCVEGCSA-N 0 0 278.396 3.182 20 10 CGCDRN COc1cc(NCc2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000858231124 638660206 /nfs/dbraw/zinc/66/02/06/638660206.db2.gz NCWVGBQGGZRNMM-UHFFFAOYSA-N 0 0 286.379 3.021 20 10 CGCDRN CCC([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])(C1CC1)C1CC1 ZINC000858229791 638660297 /nfs/dbraw/zinc/66/02/97/638660297.db2.gz GQDHKRYMXNDVRJ-UHFFFAOYSA-N 0 0 290.363 3.359 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2cnn(CCF)c2)cc1 ZINC000858246260 638662451 /nfs/dbraw/zinc/66/24/51/638662451.db2.gz AAFHSWFWEQUWNF-ONEGZZNKSA-N 0 0 288.370 3.044 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2CC2)c1 ZINC000858269196 638669259 /nfs/dbraw/zinc/66/92/59/638669259.db2.gz DGFLNYNVQLHJMP-UHFFFAOYSA-N 0 0 296.370 3.046 20 10 CGCDRN CCC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])OCC ZINC000858451441 638722498 /nfs/dbraw/zinc/72/24/98/638722498.db2.gz SFALLEJRKJDOSD-AAEUAGOBSA-N 0 0 296.367 3.156 20 10 CGCDRN Cc1cc(C)c([C@@H](C)Nc2cnn(CCF)c2)c(O)c1 ZINC000858491802 638742312 /nfs/dbraw/zinc/74/23/12/638742312.db2.gz OEBSMWISMQNAIO-GFCCVEGCSA-N 0 0 277.343 3.348 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000927015299 638832019 /nfs/dbraw/zinc/83/20/19/638832019.db2.gz AOCOPCXETBAUMG-ZUZCIYMTSA-N 0 0 285.334 3.280 20 10 CGCDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cnn(C)c1 ZINC000927071408 638838369 /nfs/dbraw/zinc/83/83/69/638838369.db2.gz SIWDGWUHOJZEPT-BZNIZROVSA-N 0 0 291.370 3.313 20 10 CGCDRN C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1c([O-])cccc1F ZINC000927159362 638848673 /nfs/dbraw/zinc/84/86/73/638848673.db2.gz NNIDWWAARIFQBL-SMDDNHRTSA-N 0 0 279.355 3.284 20 10 CGCDRN O=C(Nc1cnn(C2CCCC2)c1)C1=CC(=O)CS1 ZINC000928792813 638892815 /nfs/dbraw/zinc/89/28/15/638892815.db2.gz LWSIMSNESVBDED-UHFFFAOYSA-N 0 0 277.349 3.018 20 10 CGCDRN CCc1ncc(CN(C)c2ccc(OC)c(F)c2)o1 ZINC000929827837 638955034 /nfs/dbraw/zinc/95/50/34/638955034.db2.gz VWCZIBZRZGJPFN-UHFFFAOYSA-N 0 0 264.300 3.021 20 10 CGCDRN CCN(C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000035407856 638968375 /nfs/dbraw/zinc/96/83/75/638968375.db2.gz JMGUCQXTTCUFPM-UHFFFAOYSA-N 0 0 261.369 3.455 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1cccc(Cl)c1[O-] ZINC000858584112 638998207 /nfs/dbraw/zinc/99/82/07/638998207.db2.gz MQFVWELFHNPULW-GIPNMCIBSA-N 0 0 269.772 3.264 20 10 CGCDRN Cc1ccccc1C[C@H](C)C(=O)NCc1ccc(N)cc1 ZINC000859594367 639170762 /nfs/dbraw/zinc/17/07/62/639170762.db2.gz XUHUZLOYEPTVPJ-AWEZNQCLSA-N 0 0 282.387 3.072 20 10 CGCDRN CC1(C)CC(CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026180 639634803 /nfs/dbraw/zinc/63/48/03/639634803.db2.gz HXOBMXXDODKNOL-UHFFFAOYSA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@H]1CC/C(=C\C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026861 639635331 /nfs/dbraw/zinc/63/53/31/639635331.db2.gz AZWZJOKBGDGXAV-CVCOIXHCSA-N 0 0 296.370 3.303 20 10 CGCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC000862027587 639636239 /nfs/dbraw/zinc/63/62/39/639636239.db2.gz XRNBTJCJFZMHEV-OCCSQVGLSA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000934704686 639662950 /nfs/dbraw/zinc/66/29/50/639662950.db2.gz FJKAMKDESABCFO-NMFUWQPSSA-N 0 0 273.376 3.033 20 10 CGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cccs1 ZINC000043290228 639924609 /nfs/dbraw/zinc/92/46/09/639924609.db2.gz CNVISNDPBMEGKR-NSHDSACASA-N 0 0 290.388 3.356 20 10 CGCDRN Cc1ccccc1CCNC(=O)N(C)Cc1ccccc1O ZINC000043478165 639929560 /nfs/dbraw/zinc/92/95/60/639929560.db2.gz DXROVWHVRINNNY-UHFFFAOYSA-N 0 0 298.386 3.085 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)ccn2C)cc1 ZINC000189058163 640164776 /nfs/dbraw/zinc/16/47/76/640164776.db2.gz PXHCSOHJLPHKFI-UHFFFAOYSA-N 0 0 299.418 3.110 20 10 CGCDRN OC1CCN(c2ccc(CNc3ccccc3)cc2)CC1 ZINC000076275505 640188979 /nfs/dbraw/zinc/18/89/79/640188979.db2.gz JLYCJOFFHLGFSR-UHFFFAOYSA-N 0 0 282.387 3.260 20 10 CGCDRN O=C(C[C@H]1C=CCCC1)NCCCSc1nccs1 ZINC000189478746 640195321 /nfs/dbraw/zinc/19/53/21/640195321.db2.gz KYGMIAYCRVSFRH-LBPRGKRZSA-N 0 0 296.461 3.488 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cocn1 ZINC000191976963 640342215 /nfs/dbraw/zinc/34/22/15/640342215.db2.gz JQTHYHRDWAGRCC-UHFFFAOYSA-N 0 0 280.274 3.229 20 10 CGCDRN C/C(=C\C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000195495731 640588152 /nfs/dbraw/zinc/58/81/52/640588152.db2.gz BOUPZAYNVJMVKM-WYMLVPIESA-N 0 0 281.355 3.454 20 10 CGCDRN Cc1cccc2sc(NC(=O)Cc3ccc(N)cc3)nc21 ZINC000082700066 640589607 /nfs/dbraw/zinc/58/96/07/640589607.db2.gz IMECVVWYUYIIIH-UHFFFAOYSA-N 0 0 297.383 3.368 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000092487143 640737779 /nfs/dbraw/zinc/73/77/79/640737779.db2.gz UPPGBMOENXYHHQ-GXFFZTMASA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093149629 640758689 /nfs/dbraw/zinc/75/86/89/640758689.db2.gz VFVKDMOGYZRVSM-LBPRGKRZSA-N 0 0 297.354 3.240 20 10 CGCDRN O=[N+]([O-])c1ccc(NCc2ccc3cccnc3c2O)cc1 ZINC000096327265 640827620 /nfs/dbraw/zinc/82/76/20/640827620.db2.gz NUIOHKDHIRMEAA-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN CCC(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281165 641015788 /nfs/dbraw/zinc/01/57/88/641015788.db2.gz CKYJCTHWOLWLMX-UHFFFAOYSA-N 0 0 262.397 3.113 20 10 CGCDRN CSc1ccc2[nH]c(-c3cc(O)c(O)c(O)c3)nc2c1 ZINC001251248298 805871999 /nfs/dbraw/zinc/87/19/99/805871999.db2.gz JXLQTWHCMBWJMX-UHFFFAOYSA-N 0 0 288.328 3.069 20 10 CGCDRN CC(C)(C)c1cc(Nc2ccc(N)cc2)c(C(N)=O)s1 ZINC001159220156 806059962 /nfs/dbraw/zinc/05/99/62/806059962.db2.gz LBTJVXABSIKKJC-UHFFFAOYSA-N 0 0 289.404 3.470 20 10 CGCDRN COc1cccc(CNc2nc3cccc(C)c3o2)c1O ZINC001162425639 806584141 /nfs/dbraw/zinc/58/41/41/806584141.db2.gz XNJNVKJHANQMEH-UHFFFAOYSA-N 0 0 284.315 3.463 20 10 CGCDRN Nc1ccc(CNc2nnc(Cl)c3c2CCCC3)cc1 ZINC001162786150 806666059 /nfs/dbraw/zinc/66/60/59/806666059.db2.gz QXGLIMALUGZQOU-UHFFFAOYSA-N 0 0 288.782 3.203 20 10 CGCDRN CON(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000106018259 798981712 /nfs/dbraw/zinc/98/17/12/798981712.db2.gz CKKQBJCIRWXGHC-UHFFFAOYSA-N 0 0 272.348 3.036 20 10 CGCDRN CC1([NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000160002200 799075541 /nfs/dbraw/zinc/07/55/41/799075541.db2.gz CVFJXDWOTHSPSQ-UHFFFAOYSA-N 0 0 270.170 3.187 20 10 CGCDRN CN(C(=O)[C@@H]1CCCc2sccc21)c1ccc(N)cc1 ZINC000168231022 799085667 /nfs/dbraw/zinc/08/56/67/799085667.db2.gz QILDWBNTEXVQOZ-CQSZACIVSA-N 0 0 286.400 3.413 20 10 CGCDRN CC[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1OC ZINC000315381220 799236373 /nfs/dbraw/zinc/23/63/73/799236373.db2.gz FVEWFQWLUHOTEQ-INIZCTEOSA-N 0 0 298.386 3.087 20 10 CGCDRN CC[C@@H]([NH2+]CCSC)c1cccc(Cl)c1[O-] ZINC000381371353 799378757 /nfs/dbraw/zinc/37/87/57/799378757.db2.gz IJUBPRPIVLZSCB-LLVKDONJSA-N 0 0 259.802 3.449 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC000386357084 799435334 /nfs/dbraw/zinc/43/53/34/799435334.db2.gz LNENZYVNMJCMRM-MFKMUULPSA-N 0 0 269.772 3.093 20 10 CGCDRN CCC1(NC(=O)Cc2ccc(N)cc2)CCCCC1 ZINC000389709732 799464889 /nfs/dbraw/zinc/46/48/89/799464889.db2.gz DSGADUDSHGHXSX-UHFFFAOYSA-N 0 0 260.381 3.040 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1O ZINC000397886623 799522874 /nfs/dbraw/zinc/52/28/74/799522874.db2.gz MYCJEHGQMYIJQD-WXHSDQCUSA-N 0 0 251.395 3.184 20 10 CGCDRN Oc1cccc2c1[C@@H](N[C@H]1CCCC1(F)F)CC2 ZINC000397970192 799524549 /nfs/dbraw/zinc/52/45/49/799524549.db2.gz SYFGPHYPLPHLRS-JQWIXIFHSA-N 0 0 253.292 3.157 20 10 CGCDRN Oc1cccc(Cl)c1CN[C@@H]1CCCC1(F)F ZINC000398154651 799526539 /nfs/dbraw/zinc/52/65/39/799526539.db2.gz QGXJLBWDJRJJDI-LLVKDONJSA-N 0 0 261.699 3.323 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[NH+]2C3CCC2CC3)c1[O-] ZINC000398871249 799533342 /nfs/dbraw/zinc/53/33/42/799533342.db2.gz CGPOYBIGMJATMK-UHFFFAOYSA-N 0 0 279.767 3.375 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000403842403 799572121 /nfs/dbraw/zinc/57/21/21/799572121.db2.gz SXYUNYLITCSPSW-ZYHUDNBSSA-N 0 0 269.772 3.045 20 10 CGCDRN Cc1cccc(-c2noc(-c3ccc(O)c(O)c3)n2)c1C ZINC000405086392 799581711 /nfs/dbraw/zinc/58/17/11/799581711.db2.gz PSHYZKCXHBJLBR-UHFFFAOYSA-N 0 0 282.299 3.432 20 10 CGCDRN Cc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000588403316 799688833 /nfs/dbraw/zinc/68/88/33/799688833.db2.gz GQPAKFAERHBLFA-CLFYSBASSA-N 0 0 283.327 3.367 20 10 CGCDRN COc1cc(C)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405765 799689329 /nfs/dbraw/zinc/68/93/29/799689329.db2.gz SYCUGSZQZSCLRU-YVMONPNESA-N 0 0 299.326 3.067 20 10 CGCDRN COc1cccc(NCc2cc(F)ccc2O)c1F ZINC000689949692 799771781 /nfs/dbraw/zinc/77/17/81/799771781.db2.gz AJMXULHGBDEREU-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN CN(C)c1ccc(CNc2cccc3c2CCO3)cc1 ZINC000690190331 799774635 /nfs/dbraw/zinc/77/46/35/799774635.db2.gz DIBOKMXLPQBRCE-UHFFFAOYSA-N 0 0 268.360 3.300 20 10 CGCDRN CCc1cccc(CNc2cccc(CO)c2)c1O ZINC000691506996 799785362 /nfs/dbraw/zinc/78/53/62/799785362.db2.gz CTSREQRTYPSCOY-UHFFFAOYSA-N 0 0 257.333 3.059 20 10 CGCDRN C[C@@H]([NH2+]CCC1SCCS1)c1ccc(F)cc1[O-] ZINC000693780763 799814772 /nfs/dbraw/zinc/81/47/72/799814772.db2.gz STBRQSJPTJRIRD-SECBINFHSA-N 0 0 287.425 3.378 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(C)s1 ZINC000701129893 799883857 /nfs/dbraw/zinc/88/38/57/799883857.db2.gz DSEYSTPJZZOCJD-UHFFFAOYSA-N 0 0 261.346 3.001 20 10 CGCDRN CSc1ccc(C)c(C(=O)NCc2ccccc2O)c1 ZINC000701180904 799885017 /nfs/dbraw/zinc/88/50/17/799885017.db2.gz RXRSCJOXECJTIP-UHFFFAOYSA-N 0 0 287.384 3.353 20 10 CGCDRN CC([NH2+]Cc1ccc(F)c(F)c1[O-])(C1CC1)C1CC1 ZINC000703341981 799923464 /nfs/dbraw/zinc/92/34/64/799923464.db2.gz SZBCHDXIZBTASN-UHFFFAOYSA-N 0 0 267.319 3.339 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000703394636 799924498 /nfs/dbraw/zinc/92/44/98/799924498.db2.gz LELNCZLQNQHYIE-SECBINFHSA-N 0 0 267.275 3.423 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000708467368 799988506 /nfs/dbraw/zinc/98/85/06/799988506.db2.gz ZSFAADZFMKZGPR-LLVKDONJSA-N 0 0 273.348 3.046 20 10 CGCDRN CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708516562 799990332 /nfs/dbraw/zinc/99/03/32/799990332.db2.gz JJHXRCBCFLGXGW-ZDUSSCGKSA-N 0 0 255.308 3.195 20 10 CGCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000708486980 799990918 /nfs/dbraw/zinc/99/09/18/799990918.db2.gz UKKLLKPGNIAEOG-ZETCQYMHSA-N 0 0 283.240 3.349 20 10 CGCDRN C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000708619990 799991968 /nfs/dbraw/zinc/99/19/68/799991968.db2.gz SJINOYXFQYXGBE-GFCCVEGCSA-N 0 0 295.251 3.445 20 10 CGCDRN CC(C)(C)[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000708999191 800000737 /nfs/dbraw/zinc/00/07/37/800000737.db2.gz GMMFCWIYCWGDJG-AWEZNQCLSA-N 0 0 283.799 3.293 20 10 CGCDRN CC(C)(C)[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000708999195 800001275 /nfs/dbraw/zinc/00/12/75/800001275.db2.gz GMMFCWIYCWGDJG-CQSZACIVSA-N 0 0 283.799 3.293 20 10 CGCDRN CC[C@H](CC(=O)NCc1ccccc1O)C(C)(C)C ZINC000711092981 800046867 /nfs/dbraw/zinc/04/68/67/800046867.db2.gz HWLFNZQZYIGIFG-CYBMUJFWSA-N 0 0 263.381 3.471 20 10 CGCDRN CC(C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715710933 800145051 /nfs/dbraw/zinc/14/50/51/800145051.db2.gz AGQVNPWHTCYUSK-UHFFFAOYSA-N 0 0 276.149 3.039 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccns1 ZINC000715997832 800158578 /nfs/dbraw/zinc/15/85/78/800158578.db2.gz LVOGWLNXQUFCFK-IUCAKERBSA-N 0 0 266.341 3.400 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccc(F)cc1[O-] ZINC000722337584 800315605 /nfs/dbraw/zinc/31/56/05/800315605.db2.gz NINYMTXAOXKBKC-OWRWGESLSA-N 0 0 279.355 3.140 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723651549 800335414 /nfs/dbraw/zinc/33/54/14/800335414.db2.gz UHLVZFSWMACFSS-IACUBPJLSA-N 0 0 295.810 3.340 20 10 CGCDRN CC1=C(C)C[C@@](C)(C(=O)NCc2ccc(N)cc2)CC1 ZINC000906627821 800599298 /nfs/dbraw/zinc/59/92/98/800599298.db2.gz OVBHPOLJEXMRIH-KRWDZBQOSA-N 0 0 272.392 3.412 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NC2(C)CC2)cc1F ZINC001116091994 802298869 /nfs/dbraw/zinc/29/88/69/802298869.db2.gz OTNREPCYYZNIOC-UHFFFAOYSA-N 0 0 293.386 3.024 20 10 CGCDRN COc1cccc(O)c1C[NH+]1CC(c2ccc(F)cc2)C1 ZINC001117867572 802508859 /nfs/dbraw/zinc/50/88/59/802508859.db2.gz FDLDXKNVIIRXMT-UHFFFAOYSA-N 0 0 287.334 3.139 20 10 CGCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CC=CCC1 ZINC001180310586 809991502 /nfs/dbraw/zinc/99/15/02/809991502.db2.gz LOZVRFKYDHUYEF-NSHDSACASA-N 0 0 267.319 3.459 20 10 CGCDRN CC[C@H](CC1CCCC1)C(=O)NCc1cccc(O)c1O ZINC001123889132 802978823 /nfs/dbraw/zinc/97/88/23/802978823.db2.gz MXRDTWPVWJABPA-CYBMUJFWSA-N 0 0 291.391 3.321 20 10 CGCDRN O=C(NCc1cccc(O)c1O)[C@@H](F)CC1CCCCC1 ZINC001123977699 802987048 /nfs/dbraw/zinc/98/70/48/802987048.db2.gz LTXHKGCESZFNQL-ZDUSSCGKSA-N 0 0 295.354 3.023 20 10 CGCDRN Oc1c(F)cccc1Nc1c(Cl)cncc1Cl ZINC001210196470 814332485 /nfs/dbraw/zinc/33/24/85/814332485.db2.gz UWDLVSSHBCPQRE-UHFFFAOYSA-N 0 0 273.094 3.399 20 10 CGCDRN CCn1ccc(-c2cc(C)cc(Cl)c2N)cc1=O ZINC001244586729 803455190 /nfs/dbraw/zinc/45/51/90/803455190.db2.gz SSKAAVJUMKRIDV-UHFFFAOYSA-N 0 0 262.740 3.079 20 10 CGCDRN CCC1CCC(N(C)C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001136111553 803631909 /nfs/dbraw/zinc/63/19/09/803631909.db2.gz SSQHDSYYKWTRSE-UHFFFAOYSA-N 0 0 291.391 3.068 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)Cc1ccccc1C(=O)OC ZINC001137790294 803772334 /nfs/dbraw/zinc/77/23/34/803772334.db2.gz 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QIFJWZXSHWYVSA-UHFFFAOYSA-N 0 0 298.434 3.211 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])[C@@H]1C ZINC001139682823 804251492 /nfs/dbraw/zinc/25/14/92/804251492.db2.gz DBVCMMRZNVEJME-NXEZZACHSA-N 0 0 255.308 3.291 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])[C@H]1C ZINC001139682826 804252857 /nfs/dbraw/zinc/25/28/57/804252857.db2.gz DBVCMMRZNVEJME-ZJUUUORDSA-N 0 0 255.308 3.291 20 10 CGCDRN Cc1cc2ccccc2nc1-c1noc(-c2csnn2)n1 ZINC001212364351 815010949 /nfs/dbraw/zinc/01/09/49/815010949.db2.gz MYYQGQLSIIWXOI-UHFFFAOYSA-N 0 0 295.327 3.112 20 10 CGCDRN C[N@H+](Cc1ccc(Cl)cc1O)C1CC(F)(F)C1 ZINC001140461342 804441567 /nfs/dbraw/zinc/44/15/67/804441567.db2.gz ISUREEKHYICTJU-UHFFFAOYSA-N 0 0 261.699 3.275 20 10 CGCDRN Cc1snnc1-c1nc(-c2cc(C)ccc2F)no1 ZINC001212403033 815019136 /nfs/dbraw/zinc/01/91/36/815019136.db2.gz KHZVBJDXFKCXTA-UHFFFAOYSA-N 0 0 276.296 3.011 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(F)c(C)c2)no1 ZINC001212402877 815019309 /nfs/dbraw/zinc/01/93/09/815019309.db2.gz 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/nfs/dbraw/zinc/97/09/87/804970987.db2.gz XSWDNGXEBMWUDB-UHFFFAOYSA-N 0 0 288.160 3.280 20 10 CGCDRN CN(Cc1ccccc1O)Cc1c(F)cc(O)cc1F ZINC001144559692 805007166 /nfs/dbraw/zinc/00/71/66/805007166.db2.gz QDSJZXZTNWYMMJ-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN COc1ccc2[nH]c(Nc3cccc(O)c3O)cc2c1 ZINC001249884879 805278567 /nfs/dbraw/zinc/27/85/67/805278567.db2.gz DRBYAIOERAMLGV-UHFFFAOYSA-N 0 0 270.288 3.331 20 10 CGCDRN Cc1nc(Br)ccc1Nc1cccc(O)c1O ZINC001212564965 815071745 /nfs/dbraw/zinc/07/17/45/815071745.db2.gz MFJWIKSGAFYAEW-UHFFFAOYSA-N 0 0 295.136 3.307 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc(C)cc1[N+](=O)[O-] ZINC001154889777 805505896 /nfs/dbraw/zinc/50/58/96/805505896.db2.gz HARDPMQTQGNMGI-UHFFFAOYSA-N 0 0 287.319 3.030 20 10 CGCDRN FC1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256935964 807013086 /nfs/dbraw/zinc/01/30/86/807013086.db2.gz WGYODMJXZAIOJQ-UHFFFAOYSA-N 0 0 269.279 3.486 20 10 CGCDRN Cn1ccccc1=NCc1cc(Cl)c2cccnc2c1O ZINC001168527803 807440435 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/nfs/dbraw/zinc/41/29/20/812412920.db2.gz DDIPLYQTETWSGC-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN CN(C)c1ccc(CN2CC(OCc3ccccc3)C2)cc1 ZINC001203934124 812496692 /nfs/dbraw/zinc/49/66/92/812496692.db2.gz NUHLFLKSIOHWIY-UHFFFAOYSA-N 0 0 296.414 3.154 20 10 CGCDRN COc1ccsc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001204002484 812515727 /nfs/dbraw/zinc/51/57/27/812515727.db2.gz OQRHVKBBIOXUKM-UHFFFAOYSA-N 0 0 283.780 3.406 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(F)c(O)cc1F ZINC001215576319 815539428 /nfs/dbraw/zinc/53/94/28/815539428.db2.gz VGVGTYLLNIXFLL-UHFFFAOYSA-N 0 0 250.248 3.021 20 10 CGCDRN FC1(F)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204320198 812611690 /nfs/dbraw/zinc/61/16/90/812611690.db2.gz OKDADBSZSLKHJB-UHFFFAOYSA-N 0 0 266.335 3.128 20 10 CGCDRN COc1cc(C[N@@H+]2CCCc3ccccc3C2)cc(O)c1O ZINC001204345472 812616724 /nfs/dbraw/zinc/61/67/24/812616724.db2.gz STUSCQPCRGQFLU-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN CCc1ccc(CN2CCCc3cc(O)c(O)cc3C2)o1 ZINC001204394283 812628088 /nfs/dbraw/zinc/62/80/88/812628088.db2.gz AETVPKDDBJOWFR-UHFFFAOYSA-N 0 0 287.359 3.202 20 10 CGCDRN OCc1c(Cl)ccc(Nc2cccc(O)c2O)c1F ZINC001215608612 815546751 /nfs/dbraw/zinc/54/67/51/815546751.db2.gz YKAPOGCSOKVWQL-UHFFFAOYSA-N 0 0 283.686 3.126 20 10 CGCDRN CCCCCOC1CN(Cc2ccc(N(C)C)cc2C)C1 ZINC001206175077 813225944 /nfs/dbraw/zinc/22/59/44/813225944.db2.gz YJZNWCJQUUVHIO-UHFFFAOYSA-N 0 0 290.451 3.452 20 10 CGCDRN CN(Cc1ccc(Cl)cc1O)c1cccc(O)c1 ZINC001206664089 813393914 /nfs/dbraw/zinc/39/39/14/813393914.db2.gz NIHPOVYQZRMNAD-UHFFFAOYSA-N 0 0 263.724 3.388 20 10 CGCDRN CC1(C)CCC[C@](CO)([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC001206696581 813400797 /nfs/dbraw/zinc/40/07/97/813400797.db2.gz ACXDKSYKLGSJAY-INIZCTEOSA-N 0 0 299.361 3.091 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1 ZINC001209517177 814070508 /nfs/dbraw/zinc/07/05/08/814070508.db2.gz ABTBEXULWLWTHG-ZWKOTPCHSA-N 0 0 282.387 3.067 20 10 CGCDRN Cc1ccc(Nc2ccc3c(c2)OCCN3)c(O)c1 ZINC001209728267 814122291 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933164701 /nfs/dbraw/zinc/16/47/01/933164701.db2.gz QYUAPXFMBHSEOB-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN C[C@H](NC(=O)NCC12CCC(CC1)C2)c1ccccc1O ZINC001312418988 933359076 /nfs/dbraw/zinc/35/90/76/933359076.db2.gz KTWQAJJRXIOYSE-POZPTJLLSA-N 0 0 288.391 3.333 20 10 CGCDRN CC[C@@H](C)CCNC(=O)NCc1cc(Cl)ccc1O ZINC001312974796 933415872 /nfs/dbraw/zinc/41/58/72/933415872.db2.gz CCEGAMOUPSBDCP-SNVBAGLBSA-N 0 0 284.787 3.281 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@]1(C)CC1(C)C)c1ccccc1O ZINC001313227407 933436589 /nfs/dbraw/zinc/43/65/89/933436589.db2.gz DRXHGKGLWMMGPR-BDJLRTHQSA-N 0 0 276.380 3.189 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)n2cccc2)cc1 ZINC001319602023 933899346 /nfs/dbraw/zinc/89/93/46/933899346.db2.gz ZAHULUQCVCYWMZ-OAHLLOKOSA-N 0 0 299.418 3.212 20 10 CGCDRN Cc1cc(N2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] ZINC001472859305 937787140 /nfs/dbraw/zinc/78/71/40/937787140.db2.gz FJHCUGYQHNANFK-UHFFFAOYSA-N 0 0 270.288 3.129 20 10 CGCDRN COC(=O)COc1ccc(N(C)C[C@@H](C)CC(C)C)cc1 ZINC001473373127 937803825 /nfs/dbraw/zinc/80/38/25/937803825.db2.gz ORBNWQPVQYAPCF-AWEZNQCLSA-N 0 0 293.407 3.357 20 10 CGCDRN COc1ccc(N(CC[C@H]2CCOC2)CC2CC2)cc1 ZINC001325203554 934894611 /nfs/dbraw/zinc/89/46/11/934894611.db2.gz INHVRFCXUOIVKT-HNNXBMFYSA-N 0 0 275.392 3.338 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[C@@H](F)C2)c1 ZINC001325893543 934938442 /nfs/dbraw/zinc/93/84/42/934938442.db2.gz ZPNPZXBAQIPUAA-SDDRHHMPSA-N 0 0 295.354 3.106 20 10 CGCDRN Cc1ccc(CNC(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC001328764788 935167586 /nfs/dbraw/zinc/16/75/86/935167586.db2.gz QHDANLNXYZQLLU-UHFFFAOYSA-N 0 0 298.386 3.317 20 10 CGCDRN CCOc1ccc(N(C)Cc2noc(C3CCC3)n2)cc1 ZINC001333040106 935506044 /nfs/dbraw/zinc/50/60/44/935506044.db2.gz QEHVSDBOPBTGSQ-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN O=C(C[C@@H]1C=CCC1)NCc1cccc(Cl)c1O ZINC001335364096 936141218 /nfs/dbraw/zinc/14/12/18/936141218.db2.gz UHEDLKGFNQJARG-SNVBAGLBSA-N 0 0 265.740 3.018 20 10 CGCDRN CCC[C@H](NC(=O)NCc1ccc(N)cc1)c1ccccn1 ZINC001336225048 936181868 /nfs/dbraw/zinc/18/18/68/936181868.db2.gz IQZIAUIVCPFWLI-INIZCTEOSA-N 0 0 298.390 3.004 20 10 CGCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc(N)cc1 ZINC001336975209 936231244 /nfs/dbraw/zinc/23/12/44/936231244.db2.gz JQIBBBSZNIHLBA-KRWDZBQOSA-N 0 0 295.386 3.064 20 10 CGCDRN Cc1ccccc1[C@@H](C)N(C)C(=O)NCc1ccc(N)cc1 ZINC001337018247 936232633 /nfs/dbraw/zinc/23/26/33/936232633.db2.gz IRXHJEHUHBCQDK-CQSZACIVSA-N 0 0 297.402 3.480 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001473922688 937830612 /nfs/dbraw/zinc/83/06/12/937830612.db2.gz FUMRWRLNZQFZIU-RISCZKNCSA-N 0 0 278.352 3.359 20 10 CGCDRN CCc1cccnc1NCc1ccc(N2CCOCC2)cc1 ZINC001474080427 937839532 /nfs/dbraw/zinc/83/95/32/937839532.db2.gz YDJOCMDGVBDDED-UHFFFAOYSA-N 0 0 297.402 3.093 20 10 CGCDRN CC[C@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)O1 ZINC001474382460 937856000 /nfs/dbraw/zinc/85/60/00/937856000.db2.gz KFLHATMBQKDNJN-RYUDHWBXSA-N 0 0 283.799 3.353 20 10 CGCDRN COc1ccc2c(c1)CCN2C[C@@H](Cc1ccccc1)OC ZINC001474386332 937856573 /nfs/dbraw/zinc/85/65/73/937856573.db2.gz BSHSASRJFAHGQV-GOSISDBHSA-N 0 0 297.398 3.315 20 10 CGCDRN CCC1(C)C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474570095 937867761 /nfs/dbraw/zinc/86/77/61/937867761.db2.gz XILAAFCJMBTSKD-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN CCOC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474574709 937868166 /nfs/dbraw/zinc/86/81/66/937868166.db2.gz LGBOXWSANKGWIT-GFCCVEGCSA-N 0 0 285.334 3.061 20 10 CGCDRN Cc1cc(O)c(CN2C[C@@H](C)OCC23CCC3)cc1Cl ZINC001474612713 937870187 /nfs/dbraw/zinc/87/01/87/937870187.db2.gz PLFXYMIURONESX-GFCCVEGCSA-N 0 0 295.810 3.497 20 10 CGCDRN CCc1cccc(CN(C)Cc2cc(OC)ns2)c1O ZINC001474723532 937877134 /nfs/dbraw/zinc/87/71/34/937877134.db2.gz HVLNEYVVHBFZSR-UHFFFAOYSA-N 0 0 292.404 3.052 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2cccc(C)c21 ZINC001515497423 938006273 /nfs/dbraw/zinc/00/62/73/938006273.db2.gz LSOXAMAXCQTDMV-SDNWHVSQSA-N 0 0 278.355 3.383 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1cccc(Cl)n1 ZINC001528248932 938066441 /nfs/dbraw/zinc/06/64/41/938066441.db2.gz JGYQIBSIPRYHRB-SREVYHEPSA-N 0 0 287.750 3.115 20 10 CGCDRN CC[C@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001538705209 938120177 /nfs/dbraw/zinc/12/01/77/938120177.db2.gz DIEXAQIGWNJREL-LBPRGKRZSA-N 0 0 298.386 3.435 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Cl)c(F)c1 ZINC001543039854 938137679 /nfs/dbraw/zinc/13/76/79/938137679.db2.gz UEVYVKNMNDJWAY-UHFFFAOYSA-N 0 0 295.697 3.072 20 10 CGCDRN C/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1ccccc1C ZINC001545639289 938150234 /nfs/dbraw/zinc/15/02/34/938150234.db2.gz JMEOVDITRNCQDK-UKTHLTGXSA-N 0 0 297.354 3.126 20 10 CGCDRN Cc1cccc(F)c1C(=O)N[C@H](C)c1ccccc1O ZINC001557966623 938212835 /nfs/dbraw/zinc/21/28/35/938212835.db2.gz KQDQZIZETWWIHM-LLVKDONJSA-N 0 0 273.307 3.331 20 10 CGCDRN COC(=O)c1cnc(SCC2CC(C)(C)C2)s1 ZINC001559416764 938226403 /nfs/dbraw/zinc/22/64/03/938226403.db2.gz XDGZMSFDWAHHFW-UHFFFAOYSA-N 0 0 271.407 3.458 20 10 CGCDRN CN(C)c1ccc(/C=C/CNCc2ncccc2F)cc1 ZINC001560461979 938259197 /nfs/dbraw/zinc/25/91/97/938259197.db2.gz ZRCFNJZRIMZDJB-HWKANZROSA-N 0 0 285.366 3.090 20 10 CGCDRN CC1(C2([NH2+]Cc3ccc(Cl)cc3[O-])CC2)CC1 ZINC001560831851 938278386 /nfs/dbraw/zinc/27/83/86/938278386.db2.gz VNXXECBAEBAEJB-UHFFFAOYSA-N 0 0 251.757 3.468 20 10 CGCDRN C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC001561015813 938289601 /nfs/dbraw/zinc/28/96/01/938289601.db2.gz HZAFWWVUSRQLCL-GYSYKLTISA-N 0 0 251.345 3.446 20 10 CGCDRN COc1cccc(C)c1NC(=O)C1=CC(=O)CS1 ZINC001568279383 961538665 /nfs/dbraw/zinc/53/86/65/961538665.db2.gz CMJUBAYNCGATGW-UHFFFAOYSA-N 0 0 263.318 3.023 20 10 CGCDRN Cc1cc(N(C)C)cc(C)c1CC(=O)Oc1ccc(N)cc1 ZINC001579616897 962646168 /nfs/dbraw/zinc/64/61/68/962646168.db2.gz IOTQOWOOOIIOGA-UHFFFAOYSA-N 0 0 298.386 3.100 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2c1cccc2F ZINC001584486491 962931957 /nfs/dbraw/zinc/93/19/57/962931957.db2.gz ZDTICTQMBOQEGL-BENRWUELSA-N 0 0 282.318 3.213 20 10 CGCDRN CC1(C)CCC[C@H]1CCNC(=O)C1=CC(=O)CS1 ZINC001585392346 963010050 /nfs/dbraw/zinc/01/00/50/963010050.db2.gz UJCUBVZITPKBGL-JTQLQIEISA-N 0 0 267.394 3.400 20 10 CGCDRN Cc1ccccc1N(C)C(=O)/C=C\c1cccnc1 ZINC001586841555 963145962 /nfs/dbraw/zinc/14/59/62/963145962.db2.gz FPJJITJYUQCWIB-KTKRTIGZSA-N 0 0 252.317 3.066 20 10 CGCDRN O=C(c1c(F)cccc1Cl)N1Cc2cccc(O)c2C1 ZINC001587927773 963235545 /nfs/dbraw/zinc/23/55/45/963235545.db2.gz AGQCHRYXVXMWRY-UHFFFAOYSA-N 0 0 291.709 3.341 20 10 CGCDRN CC[C@](C)(C(=O)[O-])[N@@H+](Cc1cccc(C)c1O)CC1CC1 ZINC001594787972 981831973 /nfs/dbraw/zinc/83/19/73/981831973.db2.gz QXJDGPLLJUREFA-QGZVFWFLSA-N 0 0 291.391 3.166 20 10 CGCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595891615 982927690 /nfs/dbraw/zinc/92/76/90/982927690.db2.gz WJUQXVCCMIGEER-WFASDCNBSA-N 0 0 279.380 3.104 20 10 CGCDRN C[C@H]([NH2+]Cc1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593304824 994755375 /nfs/dbraw/zinc/75/53/75/994755375.db2.gz RDDDAKIMILYHOJ-JTQLQIEISA-N 0 0 289.306 3.080 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cc(C(=O)[O-])ccc1O ZINC001593353623 994981587 /nfs/dbraw/zinc/98/15/87/994981587.db2.gz CBDVETORZBVKHW-OASPWFOLSA-N 0 0 281.327 3.022 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594352551 999334780 /nfs/dbraw/zinc/33/47/80/999334780.db2.gz IQPXTYKNBSZHQM-NQBHXWOUSA-N 0 0 277.364 3.320 20 10 CGCDRN CCc1nc(CN(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000042627384 344985796 /nfs/dbraw/zinc/98/57/96/344985796.db2.gz YPSWUIHZWKWGGS-UHFFFAOYSA-N 0 0 289.448 3.404 20 10 CGCDRN Cc1nn(C)c(Cl)c1/C=C\C(=O)N(C)c1ccccc1 ZINC000054672125 345138138 /nfs/dbraw/zinc/13/81/38/345138138.db2.gz HCUPWZXMRUENTE-KTKRTIGZSA-N 0 0 289.766 3.058 20 10 CGCDRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nccs1 ZINC000064660701 345263789 /nfs/dbraw/zinc/26/37/89/345263789.db2.gz UPYJJKMDJSFVPK-UWVGGRQHSA-N 0 0 270.423 3.025 20 10 CGCDRN C[C@H](CCOc1ccccc1)C(=O)NCc1ccccc1O ZINC000072910411 345420797 /nfs/dbraw/zinc/42/07/97/345420797.db2.gz HJYTWGZOUYNSPW-CQSZACIVSA-N 0 0 299.370 3.114 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCC1 ZINC000079774550 345653910 /nfs/dbraw/zinc/65/39/10/345653910.db2.gz JEGQAVSUSLCKRB-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2nc(C3CC3)ns2)c1 ZINC000092650047 345848817 /nfs/dbraw/zinc/84/88/17/345848817.db2.gz IDOJDQLVWUNBRY-QMMMGPOBSA-N 0 0 291.376 3.303 20 10 CGCDRN C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(F)c(F)c1[O-] ZINC000276898261 299279309 /nfs/dbraw/zinc/27/93/09/299279309.db2.gz IOHKYJJCWNGEFX-NSHDSACASA-N 0 0 299.361 3.264 20 10 CGCDRN C[C@@H]([NH2+]CCCC(C)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297441230 296121239 /nfs/dbraw/zinc/12/12/39/296121239.db2.gz WDZONEVEQUGBTR-SECBINFHSA-N 0 0 288.294 3.386 20 10 CGCDRN C[C@@H]([NH2+]CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000280913420 296124470 /nfs/dbraw/zinc/12/44/70/296124470.db2.gz DDRQAAJZLKHLOL-ZCFIWIBFSA-N 0 0 252.116 3.319 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000124604171 370926212 /nfs/dbraw/zinc/92/62/12/370926212.db2.gz GATSCORGFUYDSN-PHIMTYICSA-N 0 0 251.757 3.278 20 10 CGCDRN CC(C)CCOCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124747579 370926805 /nfs/dbraw/zinc/92/68/05/370926805.db2.gz QQNISHUIKWHPRP-UHFFFAOYSA-N 0 0 271.788 3.198 20 10 CGCDRN COc1ccc(N(C)CCc2csc(C)n2)cc1F ZINC000125267093 370934158 /nfs/dbraw/zinc/93/41/58/370934158.db2.gz CFIXSNWOFMWACN-UHFFFAOYSA-N 0 0 280.368 3.278 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CC2(CC2)c2ccccc21 ZINC000493551776 244185882 /nfs/dbraw/zinc/18/58/82/244185882.db2.gz KFEMPVPQTUVJMM-WAYWQWQTSA-N 0 0 282.368 3.235 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187760993 296144831 /nfs/dbraw/zinc/14/48/31/296144831.db2.gz WUHNHZJELWNIHR-VHSXEESVSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191199926 296146638 /nfs/dbraw/zinc/14/66/38/296146638.db2.gz CCTFPOPDNFETLO-NWDGAFQWSA-N 0 0 298.377 3.195 20 10 CGCDRN COc1cc(C)sc1C(=O)N(C)Cc1ccccc1O ZINC000113983529 370488695 /nfs/dbraw/zinc/48/86/95/370488695.db2.gz JYZZXECJJIMKGA-UHFFFAOYSA-N 0 0 291.372 3.043 20 10 CGCDRN CN(C)c1ccc(CNC(C)(C)c2nccs2)cc1F ZINC000116380429 370558618 /nfs/dbraw/zinc/55/86/18/370558618.db2.gz DYZFKZHIEUSMQX-UHFFFAOYSA-N 0 0 293.411 3.373 20 10 CGCDRN COc1ccc(C)nc1NCc1cc(C)ccc1O ZINC000150987607 371554734 /nfs/dbraw/zinc/55/47/34/371554734.db2.gz AKRMADOPJDEMBM-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN CC[C@H]([NH2+]Cc1cnn(C)c1C)c1cccc(Cl)c1[O-] ZINC000287271641 371632142 /nfs/dbraw/zinc/63/21/42/371632142.db2.gz AYQGJLRXFVMXLD-AWEZNQCLSA-N 0 0 293.798 3.328 20 10 CGCDRN CCOc1ccc(O)c(C[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000288494804 371739005 /nfs/dbraw/zinc/73/90/05/371739005.db2.gz HOPNIPFHYKCNQF-CQSZACIVSA-N 0 0 299.370 3.057 20 10 CGCDRN FC(F)(F)[C@@H](NCc1ccc2c(c1)CCO2)C1CC1 ZINC000288406763 371737050 /nfs/dbraw/zinc/73/70/50/371737050.db2.gz INLJECIFSCXAIA-ZDUSSCGKSA-N 0 0 271.282 3.052 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ccnc(C2CC2)n1 ZINC000154409707 371845060 /nfs/dbraw/zinc/84/50/60/371845060.db2.gz QCWLHNGATGHING-UHFFFAOYSA-N 0 0 283.375 3.476 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000159932284 372194029 /nfs/dbraw/zinc/19/40/29/372194029.db2.gz RVFNMFSVTNVUEV-ZYHUDNBSSA-N 0 0 267.344 3.140 20 10 CGCDRN CS[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293628685 372429517 /nfs/dbraw/zinc/42/95/17/372429517.db2.gz NAJBLOMEMNNKEP-SSDOTTSWSA-N 0 0 263.765 3.026 20 10 CGCDRN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000293785110 372481442 /nfs/dbraw/zinc/48/14/42/372481442.db2.gz UBRLYCAHJPMZRD-MRVPVSSYSA-N 0 0 259.271 3.227 20 10 CGCDRN CC(C)[C@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000293911232 372521727 /nfs/dbraw/zinc/52/17/27/372521727.db2.gz FYPNZODEXJVJKC-MRXNPFEDSA-N 0 0 297.826 3.276 20 10 CGCDRN CC1(C)CCC(=CC(=O)NCc2ccc(N)cc2)CC1 ZINC000296824468 373251374 /nfs/dbraw/zinc/25/13/74/373251374.db2.gz AUAUJELBHVWKTP-UHFFFAOYSA-N 0 0 272.392 3.412 20 10 CGCDRN CC(C)=CCC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000297084485 373257234 /nfs/dbraw/zinc/25/72/34/373257234.db2.gz YTNKZUDJHSBORR-AORWBKJGSA-N 0 0 289.375 3.362 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCC(C)(C)C1CC1 ZINC000297289390 373262948 /nfs/dbraw/zinc/26/29/48/373262948.db2.gz GWERDCIRPLKZHU-UHFFFAOYSA-N 0 0 290.407 3.360 20 10 CGCDRN COc1ccc(N(C)Cc2ccn(C(C)C)n2)cc1F ZINC000177068322 373654165 /nfs/dbraw/zinc/65/41/65/373654165.db2.gz XCBAADWBPXQPIQ-UHFFFAOYSA-N 0 0 277.343 3.248 20 10 CGCDRN COc1cc(N(C)Cc2ccc(C)o2)cc(OC)c1OC ZINC000180758070 374043327 /nfs/dbraw/zinc/04/33/27/374043327.db2.gz YGAGTRXQJZXXKO-UHFFFAOYSA-N 0 0 291.347 3.250 20 10 CGCDRN Cc1ccc(C(=O)N(C)CC2CCCCC2)c(O)c1O ZINC000181849517 374181713 /nfs/dbraw/zinc/18/17/13/374181713.db2.gz UTIJFGIGQSOPCV-UHFFFAOYSA-N 0 0 277.364 3.059 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(CCC(C)C)o2)c1 ZINC000181783767 374171906 /nfs/dbraw/zinc/17/19/06/374171906.db2.gz QKDMAEDZFAFOTB-UHFFFAOYSA-N 0 0 275.352 3.284 20 10 CGCDRN Cc1cc(C)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183471596 374418976 /nfs/dbraw/zinc/41/89/76/374418976.db2.gz YFXQKAJPJAAAKT-ZDUSSCGKSA-N 0 0 299.370 3.076 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H](C)C1CC1 ZINC000518510147 375829864 /nfs/dbraw/zinc/82/98/64/375829864.db2.gz LISLRLMQSZRGIS-ZDUSSCGKSA-N 0 0 299.418 3.427 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000223914472 376266029 /nfs/dbraw/zinc/26/60/29/376266029.db2.gz ZCAJPSVCVYJQHE-WBMJQRKESA-N 0 0 290.432 3.198 20 10 CGCDRN Cc1cnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000266508583 378023148 /nfs/dbraw/zinc/02/31/48/378023148.db2.gz CWPHQDDZJADBHG-UHFFFAOYSA-N 0 0 285.391 3.214 20 10 CGCDRN CN(Cc1ccn(C2CCCC2)n1)Cc1ccccc1O ZINC000268695989 378090804 /nfs/dbraw/zinc/09/08/04/378090804.db2.gz SZXLMHQAPQELQS-UHFFFAOYSA-N 0 0 285.391 3.336 20 10 CGCDRN Cc1cccc(OCCC(=O)NCc2ccccc2O)c1C ZINC000269141411 378191958 /nfs/dbraw/zinc/19/19/58/378191958.db2.gz MGFADOPPIMNICB-UHFFFAOYSA-N 0 0 299.370 3.094 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2cccc(C)c2)c1O ZINC000271039766 378435565 /nfs/dbraw/zinc/43/55/65/378435565.db2.gz HZKXVFRFKDESEA-UHFFFAOYSA-N 0 0 271.360 3.341 20 10 CGCDRN C[C@@H](C[N@H+](C)Cc1cccc(F)c1[O-])c1nccs1 ZINC000273168726 378737990 /nfs/dbraw/zinc/73/79/90/378737990.db2.gz MAIYRGCQNTUDEH-JTQLQIEISA-N 0 0 280.368 3.223 20 10 CGCDRN C[C@@H](CCC(C)(C)C)C(=O)NCc1ccccc1O ZINC000273286895 378740181 /nfs/dbraw/zinc/74/01/81/378740181.db2.gz BLSBAHWMSSZFAQ-LBPRGKRZSA-N 0 0 263.381 3.471 20 10 CGCDRN CC(C)COCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365882 378741779 /nfs/dbraw/zinc/74/17/79/378741779.db2.gz FAOBXSIDWDGIFI-GFCCVEGCSA-N 0 0 296.367 3.014 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1cccnc1 ZINC000282591010 379949851 /nfs/dbraw/zinc/94/98/51/379949851.db2.gz WYDPPPZKKCZDMP-UHFFFAOYSA-N 0 0 298.386 3.159 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000286165549 380169269 /nfs/dbraw/zinc/16/92/69/380169269.db2.gz QBQZIUOASHKOAQ-IINYFYTJSA-N 0 0 277.343 3.067 20 10 CGCDRN CC[C@H]([NH2+]CC1(CCOC)CC1)c1ccc(F)cc1[O-] ZINC000286172449 380170695 /nfs/dbraw/zinc/17/06/95/380170695.db2.gz PXCDWPJFLRTNBH-AWEZNQCLSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccnc1)c1ccc(F)cc1[O-] ZINC000285816001 380152474 /nfs/dbraw/zinc/15/24/74/380152474.db2.gz WCTXSZPBACCMNU-AWEZNQCLSA-N 0 0 260.312 3.167 20 10 CGCDRN CCCCc1noc([C@@H](C)N(C)Cc2ccccc2O)n1 ZINC000109773271 392373199 /nfs/dbraw/zinc/37/31/99/392373199.db2.gz IEVKWSKLKWATGG-GFCCVEGCSA-N 0 0 289.379 3.311 20 10 CGCDRN CCCCc1noc(CN(C)c2ccc(OC)c(F)c2)n1 ZINC000121727569 392415980 /nfs/dbraw/zinc/41/59/80/392415980.db2.gz FBCUKBWGRBSYSA-UHFFFAOYSA-N 0 0 293.342 3.196 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC3(CCC3)C2)c1[O-] ZINC000123576198 392429666 /nfs/dbraw/zinc/42/96/66/392429666.db2.gz KSEUPZFOIDBSPG-UHFFFAOYSA-N 0 0 277.339 3.110 20 10 CGCDRN CCc1noc(C)c1CN(C)c1ccc(OC)cc1OC ZINC000131703314 392458265 /nfs/dbraw/zinc/45/82/65/392458265.db2.gz NAHVFHSAPGHYRW-UHFFFAOYSA-N 0 0 290.363 3.199 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000132951556 392461267 /nfs/dbraw/zinc/46/12/67/392461267.db2.gz QNYMPHAQWHPVLG-NSHDSACASA-N 0 0 290.190 3.310 20 10 CGCDRN COC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132672379 392461363 /nfs/dbraw/zinc/46/13/63/392461363.db2.gz NSKSHSJYMPYUKP-QMMMGPOBSA-N 0 0 278.179 3.166 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287807597 392402917 /nfs/dbraw/zinc/40/29/17/392402917.db2.gz UNNBYENNFATZTM-RDDDGLTNSA-N 0 0 278.179 3.121 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287730147 392402997 /nfs/dbraw/zinc/40/29/97/392402997.db2.gz PDHRGZPTAJTSCA-NXEZZACHSA-N 0 0 297.704 3.010 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc(Cl)cn2)cn1 ZINC000492502443 393745945 /nfs/dbraw/zinc/74/59/45/393745945.db2.gz LXKMLDWDACVHHD-YVMONPNESA-N 0 0 287.750 3.115 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H](O)c2cccnc2)cc1 ZINC000295629838 397672658 /nfs/dbraw/zinc/67/26/58/397672658.db2.gz BXUCNJGZRWMQFO-QGZVFWFLSA-N 0 0 286.375 3.040 20 10 CGCDRN CCN(Cc1ccccc1)C(=S)NCc1ccco1 ZINC000007571869 170290868 /nfs/dbraw/zinc/29/08/68/170290868.db2.gz ZPMIDJNCEMQMRB-UHFFFAOYSA-N 0 0 274.389 3.176 20 10 CGCDRN Nc1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000020430990 171195607 /nfs/dbraw/zinc/19/56/07/171195607.db2.gz FOFFKTDXZZKKCS-UHFFFAOYSA-N 0 0 254.333 3.230 20 10 CGCDRN COc1ccc(-n2c(C)cc(C(=O)NC(C)C)c2C)cc1 ZINC000022006038 171348837 /nfs/dbraw/zinc/34/88/37/171348837.db2.gz HBRTUIFWRZMBFO-UHFFFAOYSA-N 0 0 286.375 3.241 20 10 CGCDRN CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 ZINC000030542625 171617899 /nfs/dbraw/zinc/61/78/99/171617899.db2.gz OIUGUMIGSUXRSU-KRWDZBQOSA-N 0 0 295.386 3.339 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccsc1 ZINC000348665120 226506235 /nfs/dbraw/zinc/50/62/35/226506235.db2.gz YXJYWVIIJAGOLW-UHFFFAOYSA-N 0 0 284.384 3.478 20 10 CGCDRN CCN(Cc1cccc(C)n1)c1ccc(OC)cc1 ZINC000745983685 572846939 /nfs/dbraw/zinc/84/69/39/572846939.db2.gz DJKVEXMKYIMFCT-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCCc3cncn3C)cc12 ZINC000664098010 419825804 /nfs/dbraw/zinc/82/58/04/419825804.db2.gz IVMFHEJKQNUUBZ-UHFFFAOYSA-N 0 0 283.375 3.150 20 10 CGCDRN Nc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000160343353 261211480 /nfs/dbraw/zinc/21/14/80/261211480.db2.gz YQMKRWRBXIWDRF-LSDHHAIUSA-N 0 0 258.365 3.424 20 10 CGCDRN CC[C@H](C)NC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000177126684 261687574 /nfs/dbraw/zinc/68/75/74/261687574.db2.gz MYPYHOWPOQRLDD-VIFPVBQESA-N 0 0 286.466 3.447 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000184944926 262034918 /nfs/dbraw/zinc/03/49/18/262034918.db2.gz QNDNQUANFSXBBF-SJCJKPOMSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185098928 262041114 /nfs/dbraw/zinc/04/11/14/262041114.db2.gz NMGPCTIGCZBYHU-PXAZEXFGSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185644068 262063404 /nfs/dbraw/zinc/06/34/04/262063404.db2.gz QXHACFHGKZDFBT-UVBJJODRSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC12CC2 ZINC000416723533 263748215 /nfs/dbraw/zinc/74/82/15/263748215.db2.gz VYAAXPNTHQTXBJ-CYBMUJFWSA-N 0 0 297.402 3.086 20 10 CGCDRN C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000368141840 267148536 /nfs/dbraw/zinc/14/85/36/267148536.db2.gz HAOAXZBIOIWCFP-BONVTDFDSA-N 0 0 273.307 3.143 20 10 CGCDRN CC(=O)N1Cc2ccc(N[C@H](C)c3ccccc3O)cc2C1 ZINC000368483246 267176145 /nfs/dbraw/zinc/17/61/45/267176145.db2.gz RHMUBCMFFLAOCK-GFCCVEGCSA-N 0 0 296.370 3.427 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368735261 267200711 /nfs/dbraw/zinc/20/07/11/267200711.db2.gz ZBUMBGQGDQKPFM-AWEZNQCLSA-N 0 0 295.810 3.437 20 10 CGCDRN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000191201104 301003880 /nfs/dbraw/zinc/00/38/80/301003880.db2.gz HFDMQROSBACTPX-IUCAKERBSA-N 0 0 295.333 3.124 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000180633473 327806411 /nfs/dbraw/zinc/80/64/11/327806411.db2.gz GEKPPGSASXIKCS-PKNBQFBNSA-N 0 0 289.375 3.292 20 10 CGCDRN Nc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000269118614 328189852 /nfs/dbraw/zinc/18/98/52/328189852.db2.gz IOQPONMETKQKKU-CYBMUJFWSA-N 0 0 280.371 3.403 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1[O-] ZINC000276939661 328220525 /nfs/dbraw/zinc/22/05/25/328220525.db2.gz PITJATPSTCYGOB-UFBFGSQYSA-N 0 0 293.317 3.122 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(F)cc1[O-] ZINC000285508076 328247894 /nfs/dbraw/zinc/24/78/94/328247894.db2.gz AMCSMORKNJVGIX-UXIGCNINSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3cnc(C)nc3)cc12 ZINC000421199087 329807395 /nfs/dbraw/zinc/80/73/95/329807395.db2.gz MDTGSGBQHUQTTG-UHFFFAOYSA-N 0 0 281.359 3.473 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@]1(C)CC1(F)F ZINC000421540332 329838436 /nfs/dbraw/zinc/83/84/36/329838436.db2.gz SOKWZZIXNCZNES-HNNXBMFYSA-N 0 0 292.329 3.148 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1[C@H](C)C[C@@H]1C ZINC000527457496 330245634 /nfs/dbraw/zinc/24/56/34/330245634.db2.gz QCOYASDURYURKM-TXEJJXNPSA-N 0 0 285.391 3.179 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC1CC1 ZINC000472222983 331532081 /nfs/dbraw/zinc/53/20/81/331532081.db2.gz ROZZSDBDLYDURQ-UHFFFAOYSA-N 0 0 285.391 3.038 20 10 CGCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccccc1OC ZINC000490792554 332115821 /nfs/dbraw/zinc/11/58/21/332115821.db2.gz WPLPWPXYIBSVPZ-KHPPLWFESA-N 0 0 282.343 3.157 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](C)c1ccc(F)cc1O ZINC000230671442 333320639 /nfs/dbraw/zinc/32/06/39/333320639.db2.gz SCLOPQXYVFLOKV-VIFPVBQESA-N 0 0 263.316 3.000 20 10 CGCDRN Cc1cnc([C@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000134907570 334107728 /nfs/dbraw/zinc/10/77/28/334107728.db2.gz KAOXUBTVNFAQOY-LBPRGKRZSA-N 0 0 275.421 3.368 20 10 CGCDRN CC(C)CC1(C(=O)NCCc2ccc(N)cc2)CCC1 ZINC000236664692 519621227 /nfs/dbraw/zinc/62/12/27/519621227.db2.gz ITVOINUJDVFTBI-UHFFFAOYSA-N 0 0 274.408 3.144 20 10 CGCDRN CC(C)OCc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000153463646 519776021 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617826655 /nfs/dbraw/zinc/82/66/55/617826655.db2.gz CHVWJJFOIOKUKN-WTKPLQERSA-N 0 0 298.180 3.127 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cccc2ncccc21 ZINC000080133583 617982984 /nfs/dbraw/zinc/98/29/84/617982984.db2.gz BRSUMLMOGVJTLQ-UHFFFAOYSA-N 0 0 292.338 3.213 20 10 CGCDRN CCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000049740424 618063350 /nfs/dbraw/zinc/06/33/50/618063350.db2.gz TXHUXVAEQKQUFM-UHFFFAOYSA-N 0 0 260.381 3.093 20 10 CGCDRN COC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000307790897 618079282 /nfs/dbraw/zinc/07/92/82/618079282.db2.gz VMUCQAOSWRVMGL-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN CN(Cc1c(Cl)n[nH]c1C1CC1)Cc1ccccc1O ZINC000891714069 618254940 /nfs/dbraw/zinc/25/49/40/618254940.db2.gz QWJRSSASTGGCPR-UHFFFAOYSA-N 0 0 291.782 3.278 20 10 CGCDRN C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000308708474 618350959 /nfs/dbraw/zinc/35/09/59/618350959.db2.gz KZKKQLMKZCXYID-BDJLRTHQSA-N 0 0 277.364 3.179 20 10 CGCDRN C[C@@H](CN(C)C(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000892038724 618499932 /nfs/dbraw/zinc/49/99/32/618499932.db2.gz IKJYKZRHSVXILS-ZDUSSCGKSA-N 0 0 291.439 3.135 20 10 CGCDRN COc1ccc(CNc2ccc(C)c(F)c2)c(O)c1OC ZINC000892258787 618619395 /nfs/dbraw/zinc/61/93/95/618619395.db2.gz IREKONOMKRHWII-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396815 618714491 /nfs/dbraw/zinc/71/44/91/618714491.db2.gz HAAVTEAWNTZQER-RHSMWYFYSA-N 0 0 286.419 3.291 20 10 CGCDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(O)c1O ZINC000188097043 618720096 /nfs/dbraw/zinc/72/00/96/618720096.db2.gz ILOGQEGHUXAUDC-SNVBAGLBSA-N 0 0 289.306 3.070 20 10 CGCDRN Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000053009435 618873370 /nfs/dbraw/zinc/87/33/70/618873370.db2.gz SXZREEBQQRUPHI-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN Fc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000020089944 618975456 /nfs/dbraw/zinc/97/54/56/618975456.db2.gz KEDVFRDACAPADB-UHFFFAOYSA-N 0 0 286.350 3.274 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(-c3ccco3)o2)cc1 ZINC000181482278 619025748 /nfs/dbraw/zinc/02/57/48/619025748.db2.gz SZFOZOVRZRSIKW-UHFFFAOYSA-N 0 0 284.319 3.008 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC000776229818 619118012 /nfs/dbraw/zinc/11/80/12/619118012.db2.gz DJRFKYWSWHDKRE-RYUDHWBXSA-N 0 0 287.762 3.088 20 10 CGCDRN O=[N+]([O-])c1cnc(SCc2ccc([N+](=O)[O-])cc2)s1 ZINC000192508924 619119066 /nfs/dbraw/zinc/11/90/66/619119066.db2.gz YVTXARYJXQJACS-UHFFFAOYSA-N 0 0 297.317 3.252 20 10 CGCDRN COc1ccc(N(C)Cc2c(Cl)c(C)nn2C)cc1F ZINC000893463367 619183671 /nfs/dbraw/zinc/18/36/71/619183671.db2.gz DWONKWOXWBDAGS-UHFFFAOYSA-N 0 0 297.761 3.166 20 10 CGCDRN CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(OC)c1O ZINC000228566259 619235327 /nfs/dbraw/zinc/23/53/27/619235327.db2.gz SVTUIZLGUQYUCZ-GWCFXTLKSA-N 0 0 299.798 3.054 20 10 CGCDRN CCc1nnc(CNCc2c(O)cc(C)cc2Cl)s1 ZINC000840947105 619248610 /nfs/dbraw/zinc/24/86/10/619248610.db2.gz CSLZHTZGNQBHKM-UHFFFAOYSA-N 0 0 297.811 3.058 20 10 CGCDRN CC(C)N(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000054110936 619264407 /nfs/dbraw/zinc/26/44/07/619264407.db2.gz ZQQYFBZGTYDNRC-UHFFFAOYSA-N 0 0 291.222 3.129 20 10 CGCDRN Cc1c(C[NH2+]Cc2ccc3c(c2)CCO3)cccc1[N+](=O)[O-] ZINC000318587638 619265661 /nfs/dbraw/zinc/26/56/61/619265661.db2.gz OCBVXSVKHIUFRX-UHFFFAOYSA-N 0 0 298.342 3.128 20 10 CGCDRN Cc1cc(Cl)cc(CN[C@@H](C)c2csnn2)c1O ZINC000840970830 619297262 /nfs/dbraw/zinc/29/72/62/619297262.db2.gz XFDRYIFWFZTRLD-QMMMGPOBSA-N 0 0 283.784 3.056 20 10 CGCDRN CC(C)COC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893969542 619342000 /nfs/dbraw/zinc/34/20/00/619342000.db2.gz VDMXPDWAEOXHRX-UHFFFAOYSA-N 0 0 299.361 3.307 20 10 CGCDRN Cc1ccc(C)c(NC(=O)CSc2nccs2)c1 ZINC000047238431 619384791 /nfs/dbraw/zinc/38/47/91/619384791.db2.gz PKUPVSBWRAJYJM-UHFFFAOYSA-N 0 0 278.402 3.491 20 10 CGCDRN COc1cc(C)cc(CNc2ccc(C)cn2)c1O ZINC000894196841 619410317 /nfs/dbraw/zinc/41/03/17/619410317.db2.gz FRXWJJFWTXIYDN-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000894493833 619555338 /nfs/dbraw/zinc/55/53/38/619555338.db2.gz DZVVYKHWWJQYQA-CQSZACIVSA-N 0 0 297.345 3.061 20 10 CGCDRN C[C@H]1CC2(C[N@@H+]1Cc1cc(F)cc(F)c1[O-])CCOCC2 ZINC000895084848 619721505 /nfs/dbraw/zinc/72/15/05/619721505.db2.gz JPDWTTRHEBKIDU-NSHDSACASA-N 0 0 297.345 3.061 20 10 CGCDRN CO[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])CC(C)C ZINC000841888200 619814752 /nfs/dbraw/zinc/81/47/52/619814752.db2.gz FUFMDHYWTUINOT-LBPRGKRZSA-N 0 0 271.788 3.196 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2c([O-])cccc2F)c(C)c1 ZINC000896642469 620039665 /nfs/dbraw/zinc/03/96/65/620039665.db2.gz XJXDBYJZRMWGCN-UHFFFAOYSA-N 0 0 259.324 3.438 20 10 CGCDRN COc1ccc(C[NH2+]Cc2c([O-])cccc2F)c(C)c1 ZINC000896639616 620041522 /nfs/dbraw/zinc/04/15/22/620041522.db2.gz MLFYVNFLBCFILD-UHFFFAOYSA-N 0 0 275.323 3.138 20 10 CGCDRN C[C@H]1Cc2cc(C[NH2+]Cc3c([O-])cccc3F)ccc2O1 ZINC000896641824 620042317 /nfs/dbraw/zinc/04/23/17/620042317.db2.gz WBFWYEMHRSEEGH-NSHDSACASA-N 0 0 287.334 3.145 20 10 CGCDRN CCC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896865784 620080132 /nfs/dbraw/zinc/08/01/32/620080132.db2.gz FWGQHBKZPWJSRL-UHFFFAOYSA-N 0 0 291.372 3.233 20 10 CGCDRN CSCC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000896933829 620106069 /nfs/dbraw/zinc/10/60/69/620106069.db2.gz CDTSBTBHBYAPFT-UHFFFAOYSA-N 0 0 287.375 3.245 20 10 CGCDRN Cc1cc(O)c(CN2CCn3nc(C4CC4)cc3C2)cc1C ZINC000896940320 620108846 /nfs/dbraw/zinc/10/88/46/620108846.db2.gz YGNKDHASEBUFRV-UHFFFAOYSA-N 0 0 297.402 3.099 20 10 CGCDRN C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758776 620405762 /nfs/dbraw/zinc/40/57/62/620405762.db2.gz VGYLYXQBIRTONT-MNOVXSKESA-N 0 0 271.788 3.247 20 10 CGCDRN CC[C@@H](C)CONC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897828840 620437167 /nfs/dbraw/zinc/43/71/67/620437167.db2.gz ZDSJGHFJRWZCGL-MRVPVSSYSA-N 0 0 295.360 3.020 20 10 CGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cncs1 ZINC000897933545 620448399 /nfs/dbraw/zinc/44/83/99/620448399.db2.gz ZNHPMQQCNOSAHO-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000898215321 620488673 /nfs/dbraw/zinc/48/86/73/620488673.db2.gz LGJOTNPHWSCKAN-LBPRGKRZSA-N 0 0 282.815 3.008 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1Cl ZINC000042117534 620611534 /nfs/dbraw/zinc/61/15/34/620611534.db2.gz ZWARJVBVSIJZRF-UHFFFAOYSA-N 0 0 275.735 3.318 20 10 CGCDRN C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000903297555 621665509 /nfs/dbraw/zinc/66/55/09/621665509.db2.gz QGVHZQQRAVHARS-BONVTDFDSA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1c([O-])cccc1F ZINC000903386992 621727276 /nfs/dbraw/zinc/72/72/76/621727276.db2.gz FEUFYLJYTKKLST-BXUZGUMPSA-N 0 0 279.355 3.284 20 10 CGCDRN C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ncccn1 ZINC000905076923 622037697 /nfs/dbraw/zinc/03/76/97/622037697.db2.gz NXNGQVOENOFHCF-QBFSEMIESA-N 0 0 299.349 3.013 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(C2CC2)CCC1 ZINC000906113181 622152526 /nfs/dbraw/zinc/15/25/26/622152526.db2.gz RZNADNZCXSWUAM-UHFFFAOYSA-N 0 0 298.430 3.483 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)Nc1ccccc1 ZINC000906992703 622276740 /nfs/dbraw/zinc/27/67/40/622276740.db2.gz XWZZIEHEONCEQT-UHFFFAOYSA-N 0 0 298.386 3.241 20 10 CGCDRN O=C(CCCC1CCCC1)NCc1ccc(O)cc1O ZINC000910951822 622509766 /nfs/dbraw/zinc/50/97/66/622509766.db2.gz VQOXMAORHUDRKM-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN O=C(CCCCc1ccccc1)NCc1ccc(O)cc1O ZINC000910955838 622509849 /nfs/dbraw/zinc/50/98/49/622509849.db2.gz GQVFYNOLOORJEJ-UHFFFAOYSA-N 0 0 299.370 3.127 20 10 CGCDRN CCCC[C@H](CC)CC(=O)NCc1ccc(O)cc1O ZINC000910950806 622510301 /nfs/dbraw/zinc/51/03/01/622510301.db2.gz JKZCZNKBJUEVHS-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000150733599 622658443 /nfs/dbraw/zinc/65/84/43/622658443.db2.gz LIKXPCQOFIQYQB-QGZVFWFLSA-N 0 0 289.350 3.394 20 10 CGCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000150877919 622690319 /nfs/dbraw/zinc/69/03/19/622690319.db2.gz VWDHRXBMHBGOEL-GDBMZVCRSA-N 0 0 289.423 3.131 20 10 CGCDRN CN1CCCc2cc(CNC(=O)Nc3ccccc3)ccc21 ZINC000058483265 622930368 /nfs/dbraw/zinc/93/03/68/622930368.db2.gz CUESXHACCXXIPO-UHFFFAOYSA-N 0 0 295.386 3.391 20 10 CGCDRN Oc1ccc(F)cc1C[N@@H+]1CCCc2ccccc2C1 ZINC000226564510 622981705 /nfs/dbraw/zinc/98/17/05/622981705.db2.gz MBMWDILJDYQPMW-UHFFFAOYSA-N 0 0 271.335 3.480 20 10 CGCDRN CC(=O)Nc1cc(NCc2cc(F)ccc2O)ccc1F ZINC000226580986 622983731 /nfs/dbraw/zinc/98/37/31/622983731.db2.gz ZSXHYDVWBCLULN-UHFFFAOYSA-N 0 0 292.285 3.241 20 10 CGCDRN C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817936431 625621087 /nfs/dbraw/zinc/62/10/87/625621087.db2.gz OMUFVYUVYFRQAS-QMMMGPOBSA-N 0 0 289.206 3.102 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)C(C)C)c1 ZINC000172505642 623252857 /nfs/dbraw/zinc/25/28/57/623252857.db2.gz OAICAIANUNRLDM-VXGBXAGGSA-N 0 0 294.395 3.053 20 10 CGCDRN C[C@@H]1CSCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000172516318 623254289 /nfs/dbraw/zinc/25/42/89/623254289.db2.gz HMNOSZVSOCRLQH-LLVKDONJSA-N 0 0 295.448 3.333 20 10 CGCDRN Cc1cc(C(=O)Nc2cc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000063496987 623331101 /nfs/dbraw/zinc/33/11/01/623331101.db2.gz WIPBVLKCWDAXRR-UHFFFAOYSA-N 0 0 294.358 3.378 20 10 CGCDRN C[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000231901455 623349403 /nfs/dbraw/zinc/34/94/03/623349403.db2.gz YVPABRPZPLINOL-ZETCQYMHSA-N 0 0 267.678 3.476 20 10 CGCDRN CONC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000063727102 623350812 /nfs/dbraw/zinc/35/08/12/623350812.db2.gz JVKVTHYZWDOQDY-UHFFFAOYSA-N 0 0 278.739 3.039 20 10 CGCDRN CC(C)(C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174522119 623400792 /nfs/dbraw/zinc/40/07/92/623400792.db2.gz USMZAAJRBIXENF-UHFFFAOYSA-N 0 0 275.392 3.323 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000311453420 623444564 /nfs/dbraw/zinc/44/45/64/623444564.db2.gz MGGNLYSPVSHZNR-UHFFFAOYSA-N 0 0 259.353 3.067 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506584 623464568 /nfs/dbraw/zinc/46/45/68/623464568.db2.gz JJBZYXSICDGSGW-RKDXNWHRSA-N 0 0 255.720 3.027 20 10 CGCDRN CC(C)C[C@@H](NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000152080459 623615326 /nfs/dbraw/zinc/61/53/26/623615326.db2.gz SWPJJAHRHWVWGZ-CQSZACIVSA-N 0 0 293.407 3.238 20 10 CGCDRN C[C@H]1CCC[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000153311708 623847602 /nfs/dbraw/zinc/84/76/02/623847602.db2.gz CSEWGXOAYLHNKC-QWRGUYRKSA-N 0 0 299.465 3.113 20 10 CGCDRN Cc1nc(Cc2nnc(Sc3nccs3)o2)cs1 ZINC000914863028 623870159 /nfs/dbraw/zinc/87/01/59/623870159.db2.gz TXUXOLHTVONSDB-UHFFFAOYSA-N 0 0 296.402 3.033 20 10 CGCDRN Fc1ccccc1-c1nc(Sc2nccs2)n[nH]1 ZINC000914862937 623870661 /nfs/dbraw/zinc/87/06/61/623870661.db2.gz XEOQTFXWYOTFOJ-UHFFFAOYSA-N 0 0 278.337 3.219 20 10 CGCDRN Cn1nc(C(F)(F)F)cc1CSc1nccs1 ZINC000916759236 624212286 /nfs/dbraw/zinc/21/22/86/624212286.db2.gz HBZOMDFZIBQLCE-UHFFFAOYSA-N 0 0 279.312 3.188 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NCCC(C)C)cc1 ZINC000918148049 624336713 /nfs/dbraw/zinc/33/67/13/624336713.db2.gz PTRMGASYHUDRAI-UHFFFAOYSA-N 0 0 291.439 3.378 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c(O)c1O ZINC000179516295 624662389 /nfs/dbraw/zinc/66/23/89/624662389.db2.gz LPAAKSCOYFLXOS-PWSUYJOCSA-N 0 0 277.364 3.057 20 10 CGCDRN C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180618225 624761078 /nfs/dbraw/zinc/76/10/78/624761078.db2.gz PABTUOILSICKNC-CRALRDPISA-N 0 0 295.338 3.089 20 10 CGCDRN CCOc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180618481 624761189 /nfs/dbraw/zinc/76/11/89/624761189.db2.gz NVJSJQOJQJBLEN-CSKARUKUSA-N 0 0 299.326 3.148 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000181160070 624816634 /nfs/dbraw/zinc/81/66/34/624816634.db2.gz CQYYYSMHXFUIGB-SOFGYWHQSA-N 0 0 295.338 3.009 20 10 CGCDRN CCC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184695897 625263609 /nfs/dbraw/zinc/26/36/09/625263609.db2.gz KDLJWYUVAIOIPV-ZDUSSCGKSA-N 0 0 299.798 3.055 20 10 CGCDRN C[C@H]([NH2+]Cc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756355586 625899171 /nfs/dbraw/zinc/89/91/71/625899171.db2.gz SSYFHILCRJGSEF-JTQLQIEISA-N 0 0 290.294 3.290 20 10 CGCDRN Cc1cnc([C@@H](C)NCc2ccc3c(c2)CCCO3)o1 ZINC000922101091 625969888 /nfs/dbraw/zinc/96/98/88/625969888.db2.gz MLKCXDRUHLIBLM-GFCCVEGCSA-N 0 0 272.348 3.159 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000074788790 626126946 /nfs/dbraw/zinc/12/69/46/626126946.db2.gz VXCUDGMQIBTEFW-RYUDHWBXSA-N 0 0 294.395 3.025 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])nc1C ZINC000839166297 626324081 /nfs/dbraw/zinc/32/40/81/626324081.db2.gz YKGFBMMWBLDQOZ-UHFFFAOYSA-N 0 0 294.757 3.486 20 10 CGCDRN CCSc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000839453596 626354080 /nfs/dbraw/zinc/35/40/80/626354080.db2.gz WHIQIRKXPDDWCY-QWRGUYRKSA-N 0 0 279.430 3.129 20 10 CGCDRN O=C(CC1CC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751302810 626384602 /nfs/dbraw/zinc/38/46/02/626384602.db2.gz REQYGMFZZARRBQ-UHFFFAOYSA-N 0 0 292.342 3.135 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2CC(C)(C)C)c(O)c1O ZINC000751536224 626395116 /nfs/dbraw/zinc/39/51/16/626395116.db2.gz XFMSDHUZRLSULE-GFCCVEGCSA-N 0 0 291.391 3.447 20 10 CGCDRN CS/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000751565914 626396316 /nfs/dbraw/zinc/39/63/16/626396316.db2.gz KGEQIQBTXJCTDW-ZHACJKMWSA-N 0 0 292.448 3.366 20 10 CGCDRN CC(=O)c1c(C)oc2ncnc(NCc3ccccc3O)c21 ZINC000752631322 626434060 /nfs/dbraw/zinc/43/40/60/626434060.db2.gz GNEFTWTWSPUISW-UHFFFAOYSA-N 0 0 297.314 3.052 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)[C@H]1C ZINC000752973234 626442810 /nfs/dbraw/zinc/44/28/10/626442810.db2.gz GTDDDNFHMRNALG-TZMCWYRMSA-N 0 0 289.423 3.001 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000753024319 626444013 /nfs/dbraw/zinc/44/40/13/626444013.db2.gz BQJJMNDWBNSWRU-SMYYYNMVSA-N 0 0 289.375 3.006 20 10 CGCDRN CN(C)c1ccc(C[NH2+]CCC(C)(C)CCC(=O)[O-])cc1 ZINC000756311968 626691272 /nfs/dbraw/zinc/69/12/72/626691272.db2.gz YILVCRDUNYBNOH-UHFFFAOYSA-N 0 0 292.423 3.123 20 10 CGCDRN C[C@H]([NH2+]CCN1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756417085 626703886 /nfs/dbraw/zinc/70/38/86/626703886.db2.gz 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626770657 /nfs/dbraw/zinc/77/06/57/626770657.db2.gz NWDCZSFUYICIIA-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCCCCCC1 ZINC000839786767 626788630 /nfs/dbraw/zinc/78/86/30/626788630.db2.gz ZNSOBLOPXFQYOD-UHFFFAOYSA-N 0 0 253.367 3.250 20 10 CGCDRN CC[C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874179682 634523451 /nfs/dbraw/zinc/52/34/51/634523451.db2.gz CRYYGRGWDCPQMD-ZJUUUORDSA-N 0 0 276.340 3.013 20 10 CGCDRN Cc1nnc(CN[C@H](C)c2cc(Cl)ccc2O)s1 ZINC000757638557 626796370 /nfs/dbraw/zinc/79/63/70/626796370.db2.gz LZZCVLYVTPHGOM-SSDOTTSWSA-N 0 0 283.784 3.056 20 10 CGCDRN CC(=O)c1ccccc1OCCOc1ccc(N(C)C)cc1 ZINC000757704769 626802350 /nfs/dbraw/zinc/80/23/50/626802350.db2.gz PGHYNXIQUCUHIT-UHFFFAOYSA-N 0 0 299.370 3.413 20 10 CGCDRN COC(=O)c1ccccc1COc1ccc(N(C)C)cc1 ZINC000757718872 626804034 /nfs/dbraw/zinc/80/40/34/626804034.db2.gz ZSYNUDPJFQNCGY-UHFFFAOYSA-N 0 0 285.343 3.118 20 10 CGCDRN COc1ccc(N(C)Cc2cn3cccc(C)c3n2)cc1F ZINC000757852197 626810113 /nfs/dbraw/zinc/81/01/13/626810113.db2.gz ZIZRELZJEMFJCS-UHFFFAOYSA-N 0 0 299.349 3.427 20 10 CGCDRN COc1cccc(CN(C)c2ccc(OC)c(Cl)c2)n1 ZINC000757858019 626810852 /nfs/dbraw/zinc/81/08/52/626810852.db2.gz VUUJLCXKYWYNRM-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](C2CCCCC2)C1 ZINC000758062998 626824627 /nfs/dbraw/zinc/82/46/27/626824627.db2.gz QDINVBFSXXAVJO-QGZVFWFLSA-N 0 0 293.382 3.312 20 10 CGCDRN CN(C)c1ccc(-c2nc3ccc(F)cc3n2C)cc1 ZINC000758465725 626844959 /nfs/dbraw/zinc/84/49/59/626844959.db2.gz HRSKPMHCZCKNEM-UHFFFAOYSA-N 0 0 269.323 3.445 20 10 CGCDRN C[C@@H]1CCC[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000759589827 626908158 /nfs/dbraw/zinc/90/81/58/626908158.db2.gz UOBUCNBTONDTKI-JDQXGDOCSA-N 0 0 290.359 3.481 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCC[C@@H](C)O)cc1 ZINC000759933591 626931743 /nfs/dbraw/zinc/93/17/43/626931743.db2.gz NPQGAJZOCSJNNG-CYBMUJFWSA-N 0 0 251.370 3.071 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CCC2 ZINC000760123342 626940560 /nfs/dbraw/zinc/94/05/60/626940560.db2.gz WYAUKPQAWAUSIL-CQSZACIVSA-N 0 0 273.376 3.321 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC12CCC2 ZINC000760125263 626940630 /nfs/dbraw/zinc/94/06/30/626940630.db2.gz NVLXUQSKXZJULH-HNNXBMFYSA-N 0 0 285.387 3.077 20 10 CGCDRN CCCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000760475425 626973170 /nfs/dbraw/zinc/97/31/70/626973170.db2.gz UNFFDJNCANCJLP-UHFFFAOYSA-N 0 0 278.371 3.088 20 10 CGCDRN Cc1cccc(N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000761217586 627026210 /nfs/dbraw/zinc/02/62/10/627026210.db2.gz WJQNJKCATJVHQU-UHFFFAOYSA-N 0 0 296.414 3.468 20 10 CGCDRN Cc1cncc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000762800516 627124823 /nfs/dbraw/zinc/12/48/23/627124823.db2.gz SDYXTSJPUUXRPV-UHFFFAOYSA-N 0 0 286.766 3.127 20 10 CGCDRN Cc1cc(CN2CCOc3cc(N(C)C)ccc32)c(C)o1 ZINC000765656141 627265781 /nfs/dbraw/zinc/26/57/81/627265781.db2.gz QJQSWVGYQMQFER-UHFFFAOYSA-N 0 0 286.375 3.361 20 10 CGCDRN CCOC(=O)CCCN1CCCCc2cc(OC)ccc21 ZINC000766269039 627309256 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/nfs/dbraw/zinc/51/54/40/627515440.db2.gz AMQNWESZVZUSRT-UHFFFAOYSA-N 0 0 294.414 3.283 20 10 CGCDRN C[N@H+](Cc1ccoc1)Cc1cccc(Br)c1[O-] ZINC000769006310 627516282 /nfs/dbraw/zinc/51/62/82/627516282.db2.gz RKNIGPIEIIQDEH-UHFFFAOYSA-N 0 0 296.164 3.380 20 10 CGCDRN O=C(C/C=C/c1cccc(F)c1)NCc1ccccc1O ZINC000769366185 627545385 /nfs/dbraw/zinc/54/53/85/627545385.db2.gz VELRDPUGSVYWGX-GQCTYLIASA-N 0 0 285.318 3.251 20 10 CGCDRN CCN(CC)c1ccc(CN2CCO[C@H](C)[C@H]2C)cc1F ZINC000769422499 627551307 /nfs/dbraw/zinc/55/13/07/627551307.db2.gz JRAXDFIIJDPNAS-ZIAGYGMSSA-N 0 0 294.414 3.281 20 10 CGCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N(C)C)cc1 ZINC000771706643 627728384 /nfs/dbraw/zinc/72/83/84/627728384.db2.gz QKFWNGQAFZMWHS-UKRRQHHQSA-N 0 0 289.423 3.225 20 10 CGCDRN CC(C)[C@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc21 ZINC000772918260 627833214 /nfs/dbraw/zinc/83/32/14/627833214.db2.gz NQXYAFKZECWFOV-ROJDOSBLSA-N 0 0 295.386 3.220 20 10 CGCDRN CC[C@H](SC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773007753 627841476 /nfs/dbraw/zinc/84/14/76/627841476.db2.gz JEBHOXNIMGNYJA-FZMZJTMJSA-N 0 0 280.437 3.071 20 10 CGCDRN CCC(CC)(CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773761265 627912291 /nfs/dbraw/zinc/91/22/91/627912291.db2.gz PPIVHHKKOHVRPC-LBPRGKRZSA-N 0 0 293.407 3.361 20 10 CGCDRN CCN(C)c1ccc(CN2CCc3ncsc3C2)cc1 ZINC000773888694 627925270 /nfs/dbraw/zinc/92/52/70/627925270.db2.gz MBMMFRYMLGOOIO-UHFFFAOYSA-N 0 0 287.432 3.158 20 10 CGCDRN CCC(C)(C)NC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000774173334 627955740 /nfs/dbraw/zinc/95/57/40/627955740.db2.gz LBUDSTCNIOWPFD-UHFFFAOYSA-N 0 0 297.443 3.044 20 10 CGCDRN C[C@H](NC(=S)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000774258206 627969814 /nfs/dbraw/zinc/96/98/14/627969814.db2.gz TUERMEXCHGBZCD-NSHDSACASA-N 0 0 279.453 3.076 20 10 CGCDRN C[C@@H](NC(=S)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000774258201 627969842 /nfs/dbraw/zinc/96/98/42/627969842.db2.gz TUERMEXCHGBZCD-LLVKDONJSA-N 0 0 279.453 3.076 20 10 CGCDRN Cc1c(NC(=O)C2=CC(=O)CS2)cnn1C1CCCC1 ZINC000774344158 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628130467 /nfs/dbraw/zinc/13/04/67/628130467.db2.gz BEHAVODNQWTEOA-UHFFFAOYSA-N 0 0 268.719 3.145 20 10 CGCDRN C[S@@](=O)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000775755152 628133561 /nfs/dbraw/zinc/13/35/61/628133561.db2.gz GJGUXOMVLUZIEG-LJQANCHMSA-N 0 0 295.791 3.395 20 10 CGCDRN O=C(CCc1ccc2[nH]ccc2c1)NCc1ccccc1O ZINC000775779522 628135950 /nfs/dbraw/zinc/13/59/50/628135950.db2.gz AJSIJCICLWNOCL-UHFFFAOYSA-N 0 0 294.354 3.123 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000776017822 628158366 /nfs/dbraw/zinc/15/83/66/628158366.db2.gz SRGFPBSARJJRDN-UHFFFAOYSA-N 0 0 295.810 3.438 20 10 CGCDRN CCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776243507 628183626 /nfs/dbraw/zinc/18/36/26/628183626.db2.gz COWXUILYHXXOIL-LBPRGKRZSA-N 0 0 277.412 3.301 20 10 CGCDRN C[C@@H](NC(=O)N1CCC=C(F)C1)c1ccc(N(C)C)cc1 ZINC000776239101 628183863 /nfs/dbraw/zinc/18/38/63/628183863.db2.gz RBKBOTIJEMGCST-GFCCVEGCSA-N 0 0 291.370 3.082 20 10 CGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC000776280429 628188465 /nfs/dbraw/zinc/18/84/65/628188465.db2.gz QIKAUCUTQWXELW-QMMMGPOBSA-N 0 0 294.253 3.294 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000776476847 628212932 /nfs/dbraw/zinc/21/29/32/628212932.db2.gz PDSRCFPIVMUPLM-MNOVXSKESA-N 0 0 284.450 3.178 20 10 CGCDRN Oc1ccccc1CNc1cncc(-c2ccccc2)n1 ZINC000776804486 628233461 /nfs/dbraw/zinc/23/34/61/628233461.db2.gz GSHVRDBJLGIXFV-UHFFFAOYSA-N 0 0 277.327 3.461 20 10 CGCDRN CN(Cc1ccc2c(c1)COC2)c1ccc2c(c1)OCO2 ZINC000778227197 628335773 /nfs/dbraw/zinc/33/57/73/628335773.db2.gz JEDRKCVSIFDNKU-UHFFFAOYSA-N 0 0 283.327 3.082 20 10 CGCDRN CCc1nc(CN(C)Cc2cc(F)ccc2O)cs1 ZINC000779003167 628382782 /nfs/dbraw/zinc/38/27/82/628382782.db2.gz SFLVVMOSCLGBEF-UHFFFAOYSA-N 0 0 280.368 3.182 20 10 CGCDRN CC(C)C[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779511308 628415920 /nfs/dbraw/zinc/41/59/20/628415920.db2.gz UJGDZJSJWFHIEW-IQCBXXCUSA-N 0 0 289.375 3.148 20 10 CGCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000779914655 628441788 /nfs/dbraw/zinc/44/17/88/628441788.db2.gz DGSZXRKULWFJNP-GXTWGEPZSA-N 0 0 276.424 3.359 20 10 CGCDRN Cc1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000780769200 628515827 /nfs/dbraw/zinc/51/58/27/628515827.db2.gz NLOBDUAOZAKMEV-UHFFFAOYSA-N 0 0 296.414 3.468 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCO[C@@H](C)C1 ZINC000780767670 628515937 /nfs/dbraw/zinc/51/59/37/628515937.db2.gz UQRUSLVVLHOXSK-KBPBESRZSA-N 0 0 275.392 3.263 20 10 CGCDRN CN(C[C@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 ZINC000780778679 628516109 /nfs/dbraw/zinc/51/61/09/628516109.db2.gz NRLFXHMFCFCOFS-CYBMUJFWSA-N 0 0 297.354 3.418 20 10 CGCDRN COc1cc(N(C)Cc2occc2C)cc(OC)c1OC ZINC000780775773 628516202 /nfs/dbraw/zinc/51/62/02/628516202.db2.gz YESBAOCXQSSHNH-UHFFFAOYSA-N 0 0 291.347 3.250 20 10 CGCDRN COc1ccc(N(C)Cc2n[nH]c3ccccc32)cc1F ZINC000780779718 628516554 /nfs/dbraw/zinc/51/65/54/628516554.db2.gz WFLVALVZCCDRTM-UHFFFAOYSA-N 0 0 285.322 3.347 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000780889629 628522029 /nfs/dbraw/zinc/52/20/29/628522029.db2.gz RDLJQMRQIAIRSZ-YPMHNXCESA-N 0 0 277.364 3.105 20 10 CGCDRN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(O)c1O ZINC000780928660 628524738 /nfs/dbraw/zinc/52/47/38/628524738.db2.gz QAEZSWMSNBTGKV-AWEZNQCLSA-N 0 0 299.370 3.157 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc3ccncc32)c(O)c1O ZINC000780971817 628527140 /nfs/dbraw/zinc/52/71/40/628527140.db2.gz XSWWDYCGRAVUJR-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781531478 628568840 /nfs/dbraw/zinc/56/88/40/628568840.db2.gz DNJQGZLWNKTGLT-JTQLQIEISA-N 0 0 291.725 3.249 20 10 CGCDRN Cc1cc(NCc2cc(C)cc(Br)c2O)no1 ZINC000781560210 628572218 /nfs/dbraw/zinc/57/22/18/628572218.db2.gz UGZVRBQWOMNKBJ-UHFFFAOYSA-N 0 0 297.152 3.372 20 10 CGCDRN Cc1cc(C)c([N+](=O)[O-])c(Sc2nccs2)n1 ZINC000781657301 628582379 /nfs/dbraw/zinc/58/23/79/628582379.db2.gz JGTKEXSUSQWRSD-UHFFFAOYSA-N 0 0 267.335 3.214 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCCc1ccsc1 ZINC000783590999 628729781 /nfs/dbraw/zinc/72/97/81/628729781.db2.gz SUEMFDXWYJPWGY-UHFFFAOYSA-N 0 0 289.400 3.435 20 10 CGCDRN O=C(NCCCSc1nccs1)C1=CCCCC1 ZINC000783626688 628732888 /nfs/dbraw/zinc/73/28/88/628732888.db2.gz PCIXWEIYEYFHDW-UHFFFAOYSA-N 0 0 282.434 3.242 20 10 CGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000783710921 628742244 /nfs/dbraw/zinc/74/22/44/628742244.db2.gz ZELJEXOHJBFSBU-LDYMZIIASA-N 0 0 257.736 3.463 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C\c1cnccc1C ZINC000783917457 628757530 /nfs/dbraw/zinc/75/75/30/628757530.db2.gz XHYZMRQFEITRJY-HJWRWDBZSA-N 0 0 282.343 3.075 20 10 CGCDRN CCc1nnc(CN(CC)c2ccc(OC)cc2)s1 ZINC000784176598 628791417 /nfs/dbraw/zinc/79/14/17/628791417.db2.gz NSENOTWYOAJFOV-UHFFFAOYSA-N 0 0 277.393 3.136 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCc2ccccc21 ZINC000784288573 628801645 /nfs/dbraw/zinc/80/16/45/628801645.db2.gz YVTWKVDOJKTSEZ-DKISHCGFSA-N 0 0 296.322 3.342 20 10 CGCDRN COc1cccc([C@H](C)OC(=O)c2cccc(O)c2O)c1 ZINC000784786626 628832900 /nfs/dbraw/zinc/83/29/00/628832900.db2.gz DVQGEMRSFWNIOD-JTQLQIEISA-N 0 0 288.299 3.024 20 10 CGCDRN C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000785987200 628905571 /nfs/dbraw/zinc/90/55/71/628905571.db2.gz GCTGUIMZSWSXML-UHIISALHSA-N 0 0 283.799 3.027 20 10 CGCDRN CC[C@H]([NH2+]CCc1cnccn1)c1cccc(Cl)c1[O-] ZINC000806150257 628944029 /nfs/dbraw/zinc/94/40/29/628944029.db2.gz OIMOGGICSZIDQL-AWEZNQCLSA-N 0 0 291.782 3.119 20 10 CGCDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC000788007813 629039178 /nfs/dbraw/zinc/03/91/78/629039178.db2.gz HZDAQKCRGJAVAH-VIFPVBQESA-N 0 0 293.310 3.257 20 10 CGCDRN C[C@H](O)CCCN1CCCc2cc(OC(F)F)ccc21 ZINC000789337697 629124675 /nfs/dbraw/zinc/12/46/75/629124675.db2.gz XZVBPJCJPZCUKR-NSHDSACASA-N 0 0 285.334 3.202 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC(C)C)cc1 ZINC000789851224 629170408 /nfs/dbraw/zinc/17/04/08/629170408.db2.gz WSDUKMGKRWKKLK-UHFFFAOYSA-N 0 0 291.439 3.330 20 10 CGCDRN CC(C)(CNC(=O)c1cccc(O)c1O)C1CCCC1 ZINC000790903518 629240108 /nfs/dbraw/zinc/24/01/08/629240108.db2.gz IXDMRZJBZXSUKK-UHFFFAOYSA-N 0 0 277.364 3.044 20 10 CGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1(C)CC1 ZINC000790962500 629243059 /nfs/dbraw/zinc/24/30/59/629243059.db2.gz NLDMUIOTPKPNDH-QMMMGPOBSA-N 0 0 257.736 3.463 20 10 CGCDRN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCOC1 ZINC000792163015 629342516 /nfs/dbraw/zinc/34/25/16/629342516.db2.gz UZELSNYJGFDJCP-SNVBAGLBSA-N 0 0 287.762 3.043 20 10 CGCDRN CC[C@H](C)n1ncc(NC(=O)C2=CC(=O)CS2)c1C ZINC000792515469 629363426 /nfs/dbraw/zinc/36/34/26/629363426.db2.gz IKAWELYQYDCSLA-QMMMGPOBSA-N 0 0 279.365 3.182 20 10 CGCDRN CCOc1ccc(O)c(CN2Cc3cccc(OC)c3C2)c1 ZINC000862528791 629391061 /nfs/dbraw/zinc/39/10/61/629391061.db2.gz CJCWBJJSDQGECT-UHFFFAOYSA-N 0 0 299.370 3.315 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(C)CCc3ccccc32)c1 ZINC000862754974 629429125 /nfs/dbraw/zinc/42/91/25/629429125.db2.gz MNAGOEUAPZSCKL-IBGZPJMESA-N 0 0 295.382 3.221 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2(c3ccccc3F)CC2)c1 ZINC000862759493 629430843 /nfs/dbraw/zinc/43/08/43/629430843.db2.gz DYDCKDGQDUINPC-UHFFFAOYSA-N 0 0 299.345 3.188 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)COc2cc(C)cc(C)c2)c1 ZINC000862761408 629431756 /nfs/dbraw/zinc/43/17/56/629431756.db2.gz QCVYZXULGCNSCY-UHFFFAOYSA-N 0 0 299.370 3.013 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793227275 629431817 /nfs/dbraw/zinc/43/18/17/629431817.db2.gz AXVFAKPPAITRJT-AOOOYVTPSA-N 0 0 284.197 3.446 20 10 CGCDRN CN(C)c1ccc(CNc2cccc3c2CCO3)cc1F ZINC000793326656 629443476 /nfs/dbraw/zinc/44/34/76/629443476.db2.gz VLQHGDLBKJEJBZ-UHFFFAOYSA-N 0 0 286.350 3.439 20 10 CGCDRN COc1ccc(CNC(=O)CC2(C)CCCCC2)c(O)c1 ZINC000794372794 629537697 /nfs/dbraw/zinc/53/76/97/629537697.db2.gz DNCUFIVQPIJLIW-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN COc1ccc(CNC(=O)C[C@H](C)c2ccccc2)c(O)c1 ZINC000794382293 629538638 /nfs/dbraw/zinc/53/86/38/629538638.db2.gz UQHFRDWRJHVKNZ-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN COc1ccc(CNC(=O)c2cc(C)c(C)s2)c(O)c1 ZINC000794382661 629538761 /nfs/dbraw/zinc/53/87/61/629538761.db2.gz FKIAKZNUSAWBHO-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN CC[C@H](Nc1cnn(C)c1C)c1ccc(C)cc1O ZINC000794812232 629580069 /nfs/dbraw/zinc/58/00/69/629580069.db2.gz KXTOOXHADYWJEC-ZDUSSCGKSA-N 0 0 259.353 3.306 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc(C(F)F)cc2)SC1=S ZINC000794858987 629590073 /nfs/dbraw/zinc/59/00/73/629590073.db2.gz DACGZVSLWYDMCH-RMKNXTFCSA-N 0 0 285.340 3.455 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CC[C@H](C)NC1)c1cccc(Cl)c1[O-] ZINC000863544806 629603289 /nfs/dbraw/zinc/60/32/89/629603289.db2.gz BQRJYRHBCVYKNF-MJVIPROJSA-N 0 0 282.815 3.227 20 10 CGCDRN CN(C)c1ccc(OCc2cccc3c2CCOC3)cc1 ZINC000864047058 629737898 /nfs/dbraw/zinc/73/78/98/629737898.db2.gz PFLABXMHBIVRPL-UHFFFAOYSA-N 0 0 283.371 3.404 20 10 CGCDRN [O-]c1c(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)ccc(F)c1F ZINC000864052315 629746286 /nfs/dbraw/zinc/74/62/86/629746286.db2.gz HUONSUYKIOWNGH-DZGCQCFKSA-N 0 0 297.345 3.108 20 10 CGCDRN CC1(C)CCC(O)(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864053730 629749234 /nfs/dbraw/zinc/74/92/34/629749234.db2.gz YRQLHDCWNBAVMH-UHFFFAOYSA-N 0 0 299.361 3.091 20 10 CGCDRN COc1cc(N(C)CCC(C)C)cc(OC)c1OC ZINC000125690365 634762696 /nfs/dbraw/zinc/76/26/96/634762696.db2.gz ODGYXKMBLIQJHD-UHFFFAOYSA-N 0 0 267.369 3.195 20 10 CGCDRN Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(O)c1O ZINC000798023166 630016904 /nfs/dbraw/zinc/01/69/04/630016904.db2.gz ILZPSWRKFONIBS-HDJSIYSDSA-N 0 0 297.354 3.082 20 10 CGCDRN Cc1cc(C(=O)NCCF)c(C)n1-c1cccc(Cl)c1 ZINC000798060053 630018487 /nfs/dbraw/zinc/01/84/87/630018487.db2.gz UVPOBHKZXVYQNP-UHFFFAOYSA-N 0 0 294.757 3.447 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179640 630030788 /nfs/dbraw/zinc/03/07/88/630030788.db2.gz IJTNSHFGUTXJHY-ZJUUUORDSA-N 0 0 289.297 3.241 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCn1cccn1 ZINC000798235686 630038268 /nfs/dbraw/zinc/03/82/68/630038268.db2.gz FUDLFUYDHVZZJN-UHFFFAOYSA-N 0 0 270.361 3.033 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CCC[C@H](C)C1 ZINC000836665241 634789062 /nfs/dbraw/zinc/78/90/62/634789062.db2.gz CCXFQTFEOJHSKO-IHRRRGAJSA-N 0 0 290.407 3.406 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000798959848 630128379 /nfs/dbraw/zinc/12/83/79/630128379.db2.gz GGLKDCAYUUGKIJ-ZDUSSCGKSA-N 0 0 297.826 3.324 20 10 CGCDRN CSCCC[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000798965323 630131985 /nfs/dbraw/zinc/13/19/85/630131985.db2.gz ZBIFGEKTYUFUAT-UHFFFAOYSA-N 0 0 277.792 3.370 20 10 CGCDRN C[C@H](O)c1ccc(NCCCSc2nccs2)nc1 ZINC000865537054 630174836 /nfs/dbraw/zinc/17/48/36/630174836.db2.gz WWWHMXLFQKBFRW-JTQLQIEISA-N 0 0 295.433 3.186 20 10 CGCDRN CCSCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000800284042 630261794 /nfs/dbraw/zinc/26/17/94/630261794.db2.gz YYSNHQADPHQFHM-UHFFFAOYSA-N 0 0 277.792 3.418 20 10 CGCDRN COc1cccc(CN2CCCC[C@H]2C(F)F)c1O ZINC000800532968 630290952 /nfs/dbraw/zinc/29/09/52/630290952.db2.gz BJESQTSEOODFGN-NSHDSACASA-N 0 0 271.307 3.020 20 10 CGCDRN CCCC[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000800519139 630290968 /nfs/dbraw/zinc/29/09/68/630290968.db2.gz MEGGJYPOIRNQMG-VXGBXAGGSA-N 0 0 279.380 3.404 20 10 CGCDRN CC[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915470 630295112 /nfs/dbraw/zinc/29/51/12/630295112.db2.gz FLLNMJTVFXEFCI-JSGCOSHPSA-N 0 0 276.424 3.154 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CC=CC1 ZINC000839920031 630296603 /nfs/dbraw/zinc/29/66/03/630296603.db2.gz ZUPWCEZWWFYTAZ-CQSZACIVSA-N 0 0 286.419 3.074 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(C)CCC1 ZINC000839920518 630296651 /nfs/dbraw/zinc/29/66/51/630296651.db2.gz QIZNWPUZFXDRKL-AWEZNQCLSA-N 0 0 288.435 3.298 20 10 CGCDRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C1(C)C ZINC000839928086 630322562 /nfs/dbraw/zinc/32/25/62/630322562.db2.gz LGHXJQXZMLNJMR-NWDGAFQWSA-N 0 0 297.420 3.166 20 10 CGCDRN Cc1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)c(C)n1-c1ccccn1 ZINC000804298354 630517346 /nfs/dbraw/zinc/51/73/46/630517346.db2.gz MNESTSSOLQMPCB-ZBFHGGJFSA-N 0 0 295.386 3.114 20 10 CGCDRN CSc1cnc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000804622047 630543486 /nfs/dbraw/zinc/54/34/86/630543486.db2.gz PYXPDXRKTMODDV-LLVKDONJSA-N 0 0 288.420 3.438 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C2CC2)c1 ZINC000806794394 630576425 /nfs/dbraw/zinc/57/64/25/630576425.db2.gz YVXVPOGZVXQJLD-SNVBAGLBSA-N 0 0 277.364 3.014 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C1CC1 ZINC000806870740 630578199 /nfs/dbraw/zinc/57/81/99/630578199.db2.gz TXEOEKKEWLPVMX-UHFFFAOYSA-N 0 0 274.408 3.113 20 10 CGCDRN Cc1noc([C@H]2CCCN2Cc2cc(Cl)ccc2O)n1 ZINC000809721300 630791736 /nfs/dbraw/zinc/79/17/36/630791736.db2.gz PGZQEDDXXNXTNQ-GFCCVEGCSA-N 0 0 293.754 3.074 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000809787309 630809010 /nfs/dbraw/zinc/80/90/10/630809010.db2.gz YPHNTUXCZUGDBF-XHDPSFHLSA-N 0 0 291.778 3.257 20 10 CGCDRN COc1ccc(O)c(CNC2(C(F)F)CCCC2)c1 ZINC000809789765 630810859 /nfs/dbraw/zinc/81/08/59/630810859.db2.gz DNNWPZGMNKUNNY-UHFFFAOYSA-N 0 0 271.307 3.068 20 10 CGCDRN C[C@H](NC(=O)C1(CCF)CC1)c1ccc(N(C)C)cc1 ZINC000810686844 630927772 /nfs/dbraw/zinc/92/77/72/630927772.db2.gz BUFSCRUTDKLIIS-LBPRGKRZSA-N 0 0 278.371 3.070 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cc(F)cc(F)c1[O-] ZINC000842892410 635505418 /nfs/dbraw/zinc/50/54/18/635505418.db2.gz CSXJBMXJTKSKLP-SNVBAGLBSA-N 0 0 293.313 3.014 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cn(C)nc1C ZINC000811508377 631078475 /nfs/dbraw/zinc/07/84/75/631078475.db2.gz NTSBLPUGGAGEBN-UHFFFAOYSA-N 0 0 285.391 3.080 20 10 CGCDRN Oc1ccc2c(c1CNc1ccncc1Cl)CCCC2 ZINC000811808852 631121740 /nfs/dbraw/zinc/12/17/40/631121740.db2.gz RIOAVTWPBSKIOH-UHFFFAOYSA-N 0 0 288.778 3.353 20 10 CGCDRN CN(C)c1ccc(CNc2ncc3c(n2)CCCC3)cc1 ZINC000840239660 631133047 /nfs/dbraw/zinc/13/30/47/631133047.db2.gz SVJWBVMSGJKVAP-UHFFFAOYSA-N 0 0 282.391 3.034 20 10 CGCDRN O=C(CCCC1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000812467943 631264445 /nfs/dbraw/zinc/26/44/45/631264445.db2.gz XXMGEPDTVQCTKH-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN CO[C@](C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000812772725 631305581 /nfs/dbraw/zinc/30/55/81/631305581.db2.gz OGSCAHSKTFKGEY-CQSZACIVSA-N 0 0 287.762 3.089 20 10 CGCDRN CC(C)n1cc(NCc2c(O)cccc2Cl)cn1 ZINC000127327179 635628276 /nfs/dbraw/zinc/62/82/76/635628276.db2.gz JAYUYSLVSKQJSL-UHFFFAOYSA-N 0 0 265.744 3.435 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2sccc2F)c1 ZINC000815834942 631827475 /nfs/dbraw/zinc/82/74/75/631827475.db2.gz FZGAKYRMAQQWBI-QMMMGPOBSA-N 0 0 295.335 3.092 20 10 CGCDRN CC[N@H+](CCOC)Cc1ccc2ccccc2c1O ZINC000816484802 631989281 /nfs/dbraw/zinc/98/92/81/631989281.db2.gz PBAGPAQDYFOGSU-UHFFFAOYSA-N 0 0 259.349 3.014 20 10 CGCDRN Oc1c(CN2CCC[C@H]2c2ncon2)ccc2ccccc21 ZINC000816499637 631993719 /nfs/dbraw/zinc/99/37/19/631993719.db2.gz VVSOJOKGXQDWNN-HNNXBMFYSA-N 0 0 295.342 3.266 20 10 CGCDRN CCCC[N@H+](CCOC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816508066 631997297 /nfs/dbraw/zinc/99/72/97/631997297.db2.gz BBOMUYWEFQKBGT-UHFFFAOYSA-N 0 0 289.778 3.433 20 10 CGCDRN CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816528253 632003705 /nfs/dbraw/zinc/00/37/05/632003705.db2.gz SYXNRBZIWTVLJI-GFCCVEGCSA-N 0 0 257.736 3.415 20 10 CGCDRN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549106 632008976 /nfs/dbraw/zinc/00/89/76/632008976.db2.gz DKVIELYNZMKFAH-YMTOWFKASA-N 0 0 289.778 3.071 20 10 CGCDRN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554367 632009937 /nfs/dbraw/zinc/00/99/37/632009937.db2.gz WTZIALRYADSWIQ-KOLCDFICSA-N 0 0 289.778 3.071 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOCC1CCC1 ZINC000816570206 632016628 /nfs/dbraw/zinc/01/66/28/632016628.db2.gz MOCKMQMOBOTZRR-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN CC[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000817415662 632146374 /nfs/dbraw/zinc/14/63/74/632146374.db2.gz WIBITRNOMNFKPP-ZJUUUORDSA-N 0 0 287.762 3.232 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC23CC3)cc1 ZINC000817423922 632149850 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ZINC000822967052 633044398 /nfs/dbraw/zinc/04/43/98/633044398.db2.gz LHRGBKANRVJJMO-UHFFFAOYSA-N 0 0 297.305 3.431 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000866403109 633124226 /nfs/dbraw/zinc/12/42/26/633124226.db2.gz QRXAXDMIIWJZSJ-ZJUUUORDSA-N 0 0 287.375 3.464 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC000824245935 633216977 /nfs/dbraw/zinc/21/69/77/633216977.db2.gz FBUKPNMORKZOPY-SECBINFHSA-N 0 0 276.340 3.013 20 10 CGCDRN COc1ccc(N(C)Cc2cn3cc(C)ccc3n2)cc1F ZINC000121755391 633258225 /nfs/dbraw/zinc/25/82/25/633258225.db2.gz HKBAEVUYYHUJPD-UHFFFAOYSA-N 0 0 299.349 3.427 20 10 CGCDRN COc1ccc(N(C)Cc2noc3c2CCCC3)cc1F ZINC000121794629 633263043 /nfs/dbraw/zinc/26/30/43/633263043.db2.gz HJCDVESWAMSABG-UHFFFAOYSA-N 0 0 290.338 3.338 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCc2ccccc21)c1ccccc1O ZINC000868019816 633289627 /nfs/dbraw/zinc/28/96/27/633289627.db2.gz XREUFVVNRQRKPC-MLGOLLRUSA-N 0 0 296.370 3.440 20 10 CGCDRN CC[C@H](N[C@H](C(=O)OC(C)C)C(C)C)c1ccccc1O ZINC000824846416 633300586 /nfs/dbraw/zinc/30/05/86/633300586.db2.gz RQSSVCHHYZEGEB-HOCLYGCPSA-N 0 0 293.407 3.409 20 10 CGCDRN CCC[C@H](CC)NC(=O)N[C@H](C)c1ccccc1O ZINC000868168794 633300968 /nfs/dbraw/zinc/30/09/68/633300968.db2.gz XZRLBVAOWQKHLH-NEPJUHHUSA-N 0 0 264.369 3.331 20 10 CGCDRN CS[C@H]1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868321041 633314301 /nfs/dbraw/zinc/31/43/01/633314301.db2.gz NPMNMMMTTIGOOQ-WOPDTQHZSA-N 0 0 294.420 3.037 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])c2nccn21 ZINC000825017703 633318316 /nfs/dbraw/zinc/31/83/16/633318316.db2.gz XOQVEXOETHSHIR-UFBFGSQYSA-N 0 0 295.745 3.177 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000825098870 633328886 /nfs/dbraw/zinc/32/88/86/633328886.db2.gz PNIITNYIZSJEAV-UHFFFAOYSA-N 0 0 279.355 3.066 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133534 633331678 /nfs/dbraw/zinc/33/16/78/633331678.db2.gz JJBFBGSXVICWSV-HNNXBMFYSA-N 0 0 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283.784 3.056 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cscn1 ZINC000826972709 633446073 /nfs/dbraw/zinc/44/60/73/633446073.db2.gz LFTQIUJAZBACBO-ZETCQYMHSA-N 0 0 286.759 3.492 20 10 CGCDRN COCC1(C2CCC2)C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000827011566 633448290 /nfs/dbraw/zinc/44/82/90/633448290.db2.gz KZQVRQOKQGYNNW-UHFFFAOYSA-N 0 0 288.435 3.001 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827507287 633495324 /nfs/dbraw/zinc/49/53/24/633495324.db2.gz WZEPENOFYJPLDE-GHMZBOCLSA-N 0 0 296.208 3.305 20 10 CGCDRN CCOc1ccc(NCc2cc(OC)ccc2O)nc1C ZINC000827728972 633513301 /nfs/dbraw/zinc/51/33/01/633513301.db2.gz QHUWILSEGABVHJ-UHFFFAOYSA-N 0 0 288.347 3.115 20 10 CGCDRN Cc1noc(C(C)C)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827923237 633534873 /nfs/dbraw/zinc/53/48/73/633534873.db2.gz MLORBCXTKPAPBT-SNVBAGLBSA-N 0 0 288.347 3.303 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccccc1O ZINC000827937335 633536774 /nfs/dbraw/zinc/53/67/74/633536774.db2.gz 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/nfs/dbraw/zinc/72/43/01/633724301.db2.gz RGCSAODYMYTTAD-LLVKDONJSA-N 0 0 261.365 3.307 20 10 CGCDRN CCCC(C)(C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203755 633724752 /nfs/dbraw/zinc/72/47/52/633724752.db2.gz GBPYLJFSUPZVLL-UHFFFAOYSA-N 0 0 261.365 3.451 20 10 CGCDRN CC(C)c1ncsc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205834 633725551 /nfs/dbraw/zinc/72/55/51/633725551.db2.gz ZVHAVQYAVGUNID-UHFFFAOYSA-N 0 0 288.372 3.128 20 10 CGCDRN C[C@@H]1CCC[C@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205127 633725762 /nfs/dbraw/zinc/72/57/62/633725762.db2.gz OOIAKNPSAJGMIO-BZNIZROVSA-N 0 0 259.349 3.061 20 10 CGCDRN COC(=O)c1cnc(SC[C@H](C)C(F)(F)F)s1 ZINC000829680834 633766342 /nfs/dbraw/zinc/76/63/42/633766342.db2.gz FRLBGUJJOCWMFR-YFKPBYRVSA-N 0 0 285.312 3.220 20 10 CGCDRN COC(=O)c1cnc(SC2CC(CF)(CF)C2)s1 ZINC000871673355 633820033 /nfs/dbraw/zinc/82/00/33/633820033.db2.gz ICNGYEPBFNRSIW-UHFFFAOYSA-N 0 0 293.360 3.110 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCc3c2cccc3C)c1 ZINC000123781523 633860589 /nfs/dbraw/zinc/86/05/89/633860589.db2.gz WWQRVEWWGCEILH-VOTSOKGWSA-N 0 0 278.355 3.301 20 10 CGCDRN Cc1nnc(CNc2ccccc2NC(C)C)s1 ZINC000871846279 633891592 /nfs/dbraw/zinc/89/15/92/633891592.db2.gz MGCOWFDOKIZLGU-UHFFFAOYSA-N 0 0 262.382 3.279 20 10 CGCDRN COC(=O)c1cccc(CNc2ccccc2NC(C)C)n1 ZINC000871846300 633892370 /nfs/dbraw/zinc/89/23/70/633892370.db2.gz WELNHQYUORUUFF-UHFFFAOYSA-N 0 0 299.374 3.301 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H](CC2CC2)C(=O)[O-])cc1C ZINC000871874575 633906140 /nfs/dbraw/zinc/90/61/40/633906140.db2.gz SBPJGUFWSRTMQF-OAHLLOKOSA-N 0 0 291.391 3.127 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118741 636147631 /nfs/dbraw/zinc/14/76/31/636147631.db2.gz YUDCYWRNWJQBLO-GFCCVEGCSA-N 0 0 291.700 3.416 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cc(F)cc(F)c1[O-] ZINC000872110134 634035855 /nfs/dbraw/zinc/03/58/55/634035855.db2.gz VWCRPZZVKSUUHN-NPZRNVLXSA-N 0 0 297.345 3.279 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000846211483 636159610 /nfs/dbraw/zinc/15/96/10/636159610.db2.gz FXOXACRWEAGBHD-JTQLQIEISA-N 0 0 276.311 3.246 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000846209411 636159624 /nfs/dbraw/zinc/15/96/24/636159624.db2.gz RCWUXZRXUDMAQK-HTQZYQBOSA-N 0 0 296.169 3.070 20 10 CGCDRN CCn1ncc(N[C@@H](C)c2ccc(C)cc2O)c1C ZINC000872136782 634060281 /nfs/dbraw/zinc/06/02/81/634060281.db2.gz HOJALPQMMCNKMF-NSHDSACASA-N 0 0 259.353 3.399 20 10 CGCDRN CCCCOc1ccccc1NC[C@H](O)COC(C)C ZINC000872210606 634084048 /nfs/dbraw/zinc/08/40/48/634084048.db2.gz FYLGPHJKTJLYTJ-AWEZNQCLSA-N 0 0 281.396 3.063 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N1CCCCc2cccnc21 ZINC000872293515 634104228 /nfs/dbraw/zinc/10/42/28/634104228.db2.gz XJLRWRUIBZQJSE-KTKRTIGZSA-N 0 0 293.370 3.168 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cscn1 ZINC000101596432 634203174 /nfs/dbraw/zinc/20/31/74/634203174.db2.gz OJFLQBCVBUGRKJ-UHFFFAOYSA-N 0 0 289.187 3.445 20 10 CGCDRN C[C@@H](NC(=O)NCCC[C@@H]1C=CCC1)c1ccccc1O ZINC000873137838 634256243 /nfs/dbraw/zinc/25/62/43/634256243.db2.gz ISSQDMRPYIHBIG-ZIAGYGMSSA-N 0 0 288.391 3.499 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)c1ccc(F)cc1[O-] ZINC000834903987 634281019 /nfs/dbraw/zinc/28/10/19/634281019.db2.gz MQPNFCBXFUUUDQ-JMPLFQLZSA-N 0 0 281.371 3.386 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)C1CCC1 ZINC000837424764 634906431 /nfs/dbraw/zinc/90/64/31/634906431.db2.gz WGEBORLKBPCUNA-CYBMUJFWSA-N 0 0 274.408 3.113 20 10 CGCDRN CSc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000126198486 634911195 /nfs/dbraw/zinc/91/11/95/634911195.db2.gz LQRGUCBDCHMOFL-UHFFFAOYSA-N 0 0 275.329 3.072 20 10 CGCDRN COc1cc(F)c(NCc2c(C)cccc2O)cc1OC ZINC000876835098 634912303 /nfs/dbraw/zinc/91/23/03/634912303.db2.gz SAJWSTLNMHNGGK-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(O)c1O ZINC000126207236 634920235 /nfs/dbraw/zinc/92/02/35/634920235.db2.gz VCSRFAXGTMTPME-UHFFFAOYSA-N 0 0 297.232 3.369 20 10 CGCDRN CN(C)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876905593 634926395 /nfs/dbraw/zinc/92/63/95/634926395.db2.gz JOIVDVJSYYUFFM-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN CCOc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876967141 634939526 /nfs/dbraw/zinc/93/95/26/634939526.db2.gz CGDNRBNXQZFWHQ-UHFFFAOYSA-N 0 0 293.313 3.359 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccncc1 ZINC000877059559 634966582 /nfs/dbraw/zinc/96/65/82/634966582.db2.gz YTPZJPVPNVDLNL-ZDUSSCGKSA-N 0 0 278.302 3.306 20 10 CGCDRN CN(C(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccc(N)cc1 ZINC000877077320 634974179 /nfs/dbraw/zinc/97/41/79/634974179.db2.gz CQCDBKHXLHVGEJ-IEBWSBKVSA-N 0 0 292.382 3.136 20 10 CGCDRN CC(C)Oc1cccc(CC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877078050 634975222 /nfs/dbraw/zinc/97/52/22/634975222.db2.gz AWFUNKGKWZUWCV-UHFFFAOYSA-N 0 0 298.386 3.262 20 10 CGCDRN Cc1c(NCc2c(C)cccc2O)cnn1CC(C)C ZINC000877133854 634996512 /nfs/dbraw/zinc/99/65/12/634996512.db2.gz ISNUTNMSENNZDE-UHFFFAOYSA-N 0 0 273.380 3.474 20 10 CGCDRN Cc1ccc(CN[C@@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000877315684 635024302 /nfs/dbraw/zinc/02/43/02/635024302.db2.gz POITXIMTEWGLIS-CYBMUJFWSA-N 0 0 291.297 3.202 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc2c1OCC[C@H]2O ZINC000877377275 635032264 /nfs/dbraw/zinc/03/22/64/635032264.db2.gz FXLWTSXHCAMDIR-MRXNPFEDSA-N 0 0 285.343 3.129 20 10 CGCDRN C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877517593 635068486 /nfs/dbraw/zinc/06/84/86/635068486.db2.gz OPDZICAURYXURI-DGCLKSJQSA-N 0 0 299.361 3.186 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H](O)C(C)C ZINC000840882210 635073494 /nfs/dbraw/zinc/07/34/94/635073494.db2.gz NIMJLBSNFAXCOU-HERUPUMHSA-N 0 0 287.350 3.117 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN1C[C@H](CO)c2ccccc21 ZINC000840949211 635090527 /nfs/dbraw/zinc/09/05/27/635090527.db2.gz REYPYPMPZCUSBC-MRXNPFEDSA-N 0 0 296.414 3.157 20 10 CGCDRN Cc1ccc(O)c(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000840998382 635102151 /nfs/dbraw/zinc/10/21/51/635102151.db2.gz BCFLMEKIBZNFFM-CYBMUJFWSA-N 0 0 279.380 3.070 20 10 CGCDRN Cc1cccc(O)c1C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000877607854 635109562 /nfs/dbraw/zinc/10/95/62/635109562.db2.gz MSTYHUQDJPQATI-AWEZNQCLSA-N 0 0 275.392 3.092 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(N)cc2)[C@H]1C ZINC000841297205 635148896 /nfs/dbraw/zinc/14/88/96/635148896.db2.gz NIWSAVATXSGJBN-AGIUHOORSA-N 0 0 275.396 3.463 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@]3(CCSC3)C2)cc1 ZINC000841298225 635149878 /nfs/dbraw/zinc/14/98/78/635149878.db2.gz OGDNZYHFHWIRKI-HNNXBMFYSA-N 0 0 291.420 3.020 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300376 635150028 /nfs/dbraw/zinc/15/00/28/635150028.db2.gz WDQUYFUMZNPKRY-VXGBXAGGSA-N 0 0 261.369 3.217 20 10 CGCDRN Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(N)cc2)o1 ZINC000841301067 635150698 /nfs/dbraw/zinc/15/06/98/635150698.db2.gz YTQFDDIUMLVDKX-LLVKDONJSA-N 0 0 287.363 3.313 20 10 CGCDRN Oc1cccc2c1C[N@H+](CC1Cc3ccccc3C1)C2 ZINC000877702537 635153930 /nfs/dbraw/zinc/15/39/30/635153930.db2.gz AMOPWYUJTJJAON-UHFFFAOYSA-N 0 0 265.356 3.123 20 10 CGCDRN COC(C)(C)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877707641 635158315 /nfs/dbraw/zinc/15/83/15/635158315.db2.gz ASNLFEISOSJMBT-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN [O-]c1c(C[NH2+]C2([C@H]3CCCCO3)CCC2)ccc(F)c1F ZINC000877771369 635198716 /nfs/dbraw/zinc/19/87/16/635198716.db2.gz OUWKCECJWIVDPT-CYBMUJFWSA-N 0 0 297.345 3.252 20 10 CGCDRN CCN1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841743164 635220902 /nfs/dbraw/zinc/22/09/02/635220902.db2.gz DRGHEQLWWBINDS-NSHDSACASA-N 0 0 282.815 3.181 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841752726 635226710 /nfs/dbraw/zinc/22/67/10/635226710.db2.gz GOFOLYLSWSNWFW-WDEREUQCSA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(Cl)cc1[O-] ZINC000841753259 635227020 /nfs/dbraw/zinc/22/70/20/635227020.db2.gz YGFVNVGBMHFMAU-WDEREUQCSA-N 0 0 271.788 3.105 20 10 CGCDRN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755407 635228906 /nfs/dbraw/zinc/22/89/06/635228906.db2.gz PENOAKFDSMLSCQ-GWCFXTLKSA-N 0 0 271.788 3.103 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(Cl)cc1[O-] ZINC000841757145 635231957 /nfs/dbraw/zinc/23/19/57/635231957.db2.gz MLXGFDWDPGHTIC-WDEREUQCSA-N 0 0 271.788 3.105 20 10 CGCDRN Cc1cc(N(C)C)ccc1[C@@H]1Nc2cc(F)ccc2C(=O)N1 ZINC000877847516 635239804 /nfs/dbraw/zinc/23/98/04/635239804.db2.gz AQZLTIGKBNCEKH-MRXNPFEDSA-N 0 0 299.349 3.054 20 10 CGCDRN CCC(CC)(CC)NC(=O)NCCc1ccc(N)cc1 ZINC000841953870 635251323 /nfs/dbraw/zinc/25/13/23/635251323.db2.gz FESMQVPBGRUWRH-UHFFFAOYSA-N 0 0 277.412 3.079 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC3(CCC3)CO2)cc1OC ZINC000877995458 635310487 /nfs/dbraw/zinc/31/04/87/635310487.db2.gz HLHYKGNNMIBSJW-CQSZACIVSA-N 0 0 291.391 3.099 20 10 CGCDRN CCC(CC)CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000104802495 635396936 /nfs/dbraw/zinc/39/69/36/635396936.db2.gz OOODFIYHXOCBOT-LLVKDONJSA-N 0 0 294.395 3.197 20 10 CGCDRN COc1ccc(N(C)Cc2scnc2Cl)c(OC)c1 ZINC000878294190 635447162 /nfs/dbraw/zinc/44/71/62/635447162.db2.gz CIMIEDWGXDDLEP-UHFFFAOYSA-N 0 0 298.795 3.450 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000842775879 635468652 /nfs/dbraw/zinc/46/86/52/635468652.db2.gz HADYCTXJQHHFJT-HOTUBEGUSA-N 0 0 296.754 3.232 20 10 CGCDRN C[C@H](Nc1ccc2c(c1)nnn2C)c1ccc(N(C)C)cc1 ZINC000842904233 635510433 /nfs/dbraw/zinc/51/04/33/635510433.db2.gz SKTRJVRECSCJIJ-LBPRGKRZSA-N 0 0 295.390 3.207 20 10 CGCDRN Nc1ccc(Cc2noc(-c3scnc3C3CC3)n2)cc1 ZINC000843158727 635589025 /nfs/dbraw/zinc/58/90/25/635589025.db2.gz IMCILCXSGMEVAL-UHFFFAOYSA-N 0 0 298.371 3.244 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCC(C)=C(C)C2)c1 ZINC000843832247 635786870 /nfs/dbraw/zinc/78/68/70/635786870.db2.gz VGTOOERUQFVBNF-CYBMUJFWSA-N 0 0 289.375 3.154 20 10 CGCDRN CCOC(=O)[C@@H](N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000879648489 635825963 /nfs/dbraw/zinc/82/59/63/635825963.db2.gz REIBSSGFHOIMIH-DYVFJYSZSA-N 0 0 299.370 3.347 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000844201576 635830939 /nfs/dbraw/zinc/83/09/39/635830939.db2.gz BRWJPOJMTUDAJX-GOSISDBHSA-N 0 0 284.403 3.160 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CC(C)(C)CC(F)F)c1 ZINC000880838200 636053465 /nfs/dbraw/zinc/05/34/65/636053465.db2.gz YIHVVSHHNQYWMG-UHFFFAOYSA-N 0 0 285.334 3.388 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1ncnc2c1CCCC2 ZINC000845709317 636084593 /nfs/dbraw/zinc/08/45/93/636084593.db2.gz QYJOPZAJZYYMMR-UHFFFAOYSA-N 0 0 289.766 3.327 20 10 CGCDRN CCCc1nsc(NCc2cc(Cl)ccc2O)n1 ZINC000845709222 636084634 /nfs/dbraw/zinc/08/46/34/636084634.db2.gz OJZGUWHGAIAHSW-UHFFFAOYSA-N 0 0 283.784 3.462 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2(C3CCC3)CC2)c1[O-] ZINC000846055812 636139943 /nfs/dbraw/zinc/13/99/43/636139943.db2.gz OFKUDICNWCGFGS-UHFFFAOYSA-N 0 0 296.754 3.376 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000846208621 636158553 /nfs/dbraw/zinc/15/85/53/636158553.db2.gz JXTDEDBAIDYCHQ-JGVFFNPUSA-N 0 0 296.169 3.070 20 10 CGCDRN CC1(C(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000846471902 636187308 /nfs/dbraw/zinc/18/73/08/636187308.db2.gz CVGXRZBRMJYCEF-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN CCC[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475661 636188021 /nfs/dbraw/zinc/18/80/21/636188021.db2.gz DYECJWUCXRUDDF-BXKDBHETSA-N 0 0 267.756 3.098 20 10 CGCDRN C[C@@H]1CCC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474935 636188134 /nfs/dbraw/zinc/18/81/34/636188134.db2.gz CYJJJMIAWMRSEY-MNOVXSKESA-N 0 0 281.783 3.488 20 10 CGCDRN CCCC[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846477139 636188940 /nfs/dbraw/zinc/18/89/40/636188940.db2.gz QBXDOSBNDIRXOJ-SNVBAGLBSA-N 0 0 269.772 3.488 20 10 CGCDRN c1csc(SC[C@H]2CCC3(CCOCC3)CO2)n1 ZINC000882110765 636257065 /nfs/dbraw/zinc/25/70/65/636257065.db2.gz UACZQSQQOGSJMZ-LLVKDONJSA-N 0 0 285.434 3.211 20 10 CGCDRN CC(C)[C@H](O)CCOc1ccc(N2CCCC2)cc1 ZINC000882981085 636487312 /nfs/dbraw/zinc/48/73/12/636487312.db2.gz BSLRXRBNOOMQDY-MRXNPFEDSA-N 0 0 263.381 3.073 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2ccc3[nH]ccc3c2)cc1 ZINC000107538887 636563042 /nfs/dbraw/zinc/56/30/42/636563042.db2.gz LJVUWLIWBJDZJY-UHFFFAOYSA-N 0 0 293.370 3.164 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1[O-] ZINC000848569243 636611333 /nfs/dbraw/zinc/61/13/33/636611333.db2.gz YBFKZICRLXPMPG-MAZHCROVSA-N 0 0 292.398 3.199 20 10 CGCDRN CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)ccc1O ZINC000131482744 636666880 /nfs/dbraw/zinc/66/68/80/636666880.db2.gz MEBLWDZYHGNHGP-GWCFXTLKSA-N 0 0 269.772 3.045 20 10 CGCDRN Oc1ccc(Cl)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000883324686 636675397 /nfs/dbraw/zinc/67/53/97/636675397.db2.gz AGZYGLOMCOZGJT-UHFFFAOYSA-N 0 0 289.762 3.270 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cnc(Cl)n2C)cc1 ZINC000848907013 636685427 /nfs/dbraw/zinc/68/54/27/636685427.db2.gz ZPTFLIMPWOMBML-UHFFFAOYSA-N 0 0 293.798 3.497 20 10 CGCDRN CCc1cccc(CNc2cccc(N3CCC3=O)c2)c1O ZINC000848908552 636685465 /nfs/dbraw/zinc/68/54/65/636685465.db2.gz XFZNXOSKRKIWJB-UHFFFAOYSA-N 0 0 296.370 3.303 20 10 CGCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)cnc1C ZINC000883342280 636690532 /nfs/dbraw/zinc/69/05/32/636690532.db2.gz RCVXCIAKPQFTSC-UHFFFAOYSA-N 0 0 297.402 3.147 20 10 CGCDRN CCC(CC)SCC(=O)NCc1ccc(N(C)C)cc1 ZINC000131810785 636754725 /nfs/dbraw/zinc/75/47/25/636754725.db2.gz MZYDQHRSOSTLII-UHFFFAOYSA-N 0 0 294.464 3.291 20 10 CGCDRN COC(=O)/C(C)=C\CSc1ncc(Cl)s1 ZINC000850000003 636925137 /nfs/dbraw/zinc/92/51/37/636925137.db2.gz GJFRLAXSIRFNCY-UTCJRWHESA-N 0 0 263.771 3.008 20 10 CGCDRN CC[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(F)cc1[O-] ZINC000850550850 637117443 /nfs/dbraw/zinc/11/74/43/637117443.db2.gz CXCWQXXHFJQXHS-HGMXIMQMSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000136403252 637335506 /nfs/dbraw/zinc/33/55/06/637335506.db2.gz NUBRNKXMRSGOSE-VIFPVBQESA-N 0 0 284.197 3.290 20 10 CGCDRN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)co1 ZINC000851731677 637480463 /nfs/dbraw/zinc/48/04/63/637480463.db2.gz AKABNNBVNJFSQX-UHFFFAOYSA-N 0 0 287.407 3.460 20 10 CGCDRN COc1cc(N(C)C[C@@H]2C[C@H]3C[C@H]3C2)cc(OC)c1OC ZINC000851782777 637500846 /nfs/dbraw/zinc/50/08/46/637500846.db2.gz DHKKFPAVDWSPFZ-CLLJXQQHSA-N 0 0 291.391 3.195 20 10 CGCDRN CCc1nocc1CN(CC)c1ccc(OC)c(OC)c1 ZINC000851827662 637515099 /nfs/dbraw/zinc/51/50/99/637515099.db2.gz HVDKIKAQPBGNRW-UHFFFAOYSA-N 0 0 290.363 3.281 20 10 CGCDRN Cc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886508988 637545145 /nfs/dbraw/zinc/54/51/45/637545145.db2.gz WDWMZPPTYDVRLO-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886505371 637545726 /nfs/dbraw/zinc/54/57/26/637545726.db2.gz YDTJBWHLBZIAIA-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1c([O-])cccc1F ZINC000886532398 637557020 /nfs/dbraw/zinc/55/70/20/637557020.db2.gz ILCXOLOSIBTRJV-QMMBQJITSA-N 0 0 293.382 3.386 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886535246 637559975 /nfs/dbraw/zinc/55/99/75/637559975.db2.gz XBQKNKMAWSUTAY-FZMZJTMJSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1c([O-])cccc1F ZINC000886536651 637562065 /nfs/dbraw/zinc/56/20/65/637562065.db2.gz MKXVZVBIIOWVLH-PJODQICGSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H]([NH2+]C1CCSCC1)c1c([O-])cccc1F ZINC000886545503 637571695 /nfs/dbraw/zinc/57/16/95/637571695.db2.gz MYCRCHXYYNCVLP-VIFPVBQESA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1c([O-])cccc1F ZINC000886550063 637576094 /nfs/dbraw/zinc/57/60/94/637576094.db2.gz RUZFGMSOZXSZNC-RISCZKNCSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H](Nc1cnn(C)c1C1CC1)c1c(O)cccc1F ZINC000886592412 637596881 /nfs/dbraw/zinc/59/68/81/637596881.db2.gz SGXKACOTYBIOAL-VIFPVBQESA-N 0 0 275.327 3.315 20 10 CGCDRN C[C@@H](N[C@H]1CCCC1(F)F)c1c(O)cccc1F ZINC000886610935 637605791 /nfs/dbraw/zinc/60/57/91/637605791.db2.gz NYDRWHNXIUXMGI-KCJUWKMLSA-N 0 0 259.271 3.370 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)CCO1 ZINC000886628297 637618077 /nfs/dbraw/zinc/61/80/77/637618077.db2.gz MAVQIRJSRKVSJV-IJLUTSLNSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1c([O-])cccc1F ZINC000886635021 637620955 /nfs/dbraw/zinc/62/09/55/637620955.db2.gz STHXXQNVDDRUSP-RYUDHWBXSA-N 0 0 280.387 3.055 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1c([O-])cccc1F ZINC000886651686 637632043 /nfs/dbraw/zinc/63/20/43/637632043.db2.gz OSVHBZPWCNEHHT-RYUDHWBXSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O ZINC000886801714 637697790 /nfs/dbraw/zinc/69/77/90/637697790.db2.gz RGIPFOMBGDXVOE-WRWORJQWSA-N 0 0 297.704 3.010 20 10 CGCDRN C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000853542369 637865090 /nfs/dbraw/zinc/86/50/90/637865090.db2.gz OZPBXYFVXYKCMI-ZDUSSCGKSA-N 0 0 287.403 3.024 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccc(N)c1)c1ccc(F)cc1[O-] ZINC000854215317 638024921 /nfs/dbraw/zinc/02/49/21/638024921.db2.gz FTCAXODXGYWOQE-OAHLLOKOSA-N 0 0 274.339 3.354 20 10 CGCDRN CC(C)C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)CC(=O)[O-] ZINC000854243891 638031945 /nfs/dbraw/zinc/03/19/45/638031945.db2.gz GTOFUVOHTPVUAT-NSHDSACASA-N 0 0 299.798 3.272 20 10 CGCDRN Cc1cc(CC(=O)N[C@@H]2CC23CC3)c(C)n1-c1ccccc1 ZINC000854984133 638130255 /nfs/dbraw/zinc/13/02/55/638130255.db2.gz CYBQBIVMOIPXFU-QGZVFWFLSA-N 0 0 294.398 3.305 20 10 CGCDRN COc1ccc2c(c1)N(C(=O)C1=CC(=O)CS1)CCC2 ZINC000856078211 638295422 /nfs/dbraw/zinc/29/54/22/638295422.db2.gz MLVKQQXCXYAQBF-UHFFFAOYSA-N 0 0 289.356 3.055 20 10 CGCDRN CC[C@@H]1CCC[C@H](C)N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856272167 638332294 /nfs/dbraw/zinc/33/22/94/638332294.db2.gz BKEGOXRMVRQAMX-QNCVSOFMSA-N 0 0 289.375 3.291 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000114544310 638375883 /nfs/dbraw/zinc/37/58/83/638375883.db2.gz KEIAGKPXTCKJBD-LBPRGKRZSA-N 0 0 291.391 3.233 20 10 CGCDRN CCCC[C@@H](C(=O)NCCc1ccc(N)cc1)C(C)C ZINC000856997783 638425169 /nfs/dbraw/zinc/42/51/69/638425169.db2.gz DXGYTETUKMJYED-MRXNPFEDSA-N 0 0 276.424 3.390 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000857080120 638453968 /nfs/dbraw/zinc/45/39/68/638453968.db2.gz DIPNHLFUYLVNKK-HTQZYQBOSA-N 0 0 277.261 3.366 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccc(F)nn2)cc1F ZINC000857225768 638479236 /nfs/dbraw/zinc/47/92/36/638479236.db2.gz YJCLPVVZNUSSEP-UHFFFAOYSA-N 0 0 292.333 3.213 20 10 CGCDRN C/C(=C/C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000115281281 638515453 /nfs/dbraw/zinc/51/54/53/638515453.db2.gz CBAYUYCXUTVYNK-RAXLEYEMSA-N 0 0 272.392 3.034 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000857546727 638516249 /nfs/dbraw/zinc/51/62/49/638516249.db2.gz GMXPVDYBEJOXNF-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccn1 ZINC000858086150 638623554 /nfs/dbraw/zinc/62/35/54/638623554.db2.gz CALNVRQKJZTGGC-LLVKDONJSA-N 0 0 291.345 3.277 20 10 CGCDRN Cc1cccc(CCNC(=O)NCc2cc(C)ccc2O)c1 ZINC000858168777 638648505 /nfs/dbraw/zinc/64/85/05/638648505.db2.gz ORGHUBRSNYTFLT-UHFFFAOYSA-N 0 0 298.386 3.051 20 10 CGCDRN C/C=C\C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000858290957 638673124 /nfs/dbraw/zinc/67/31/24/638673124.db2.gz KPVAXERXXNMNAO-ARJAWSKDSA-N 0 0 270.170 3.129 20 10 CGCDRN COCc1ccc(NCc2ccccc2O)cc1OC ZINC000858309519 638676447 /nfs/dbraw/zinc/67/64/47/638676447.db2.gz CQCONKQUJHAZFG-UHFFFAOYSA-N 0 0 273.332 3.159 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)C23CC(C2)C3)C2CC2)cc1 ZINC000858341976 638686482 /nfs/dbraw/zinc/68/64/82/638686482.db2.gz PATLUIUXVXJKPR-UHFFFAOYSA-N 0 0 284.403 3.044 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CCC2CC2)c1 ZINC000858366000 638694800 /nfs/dbraw/zinc/69/48/00/638694800.db2.gz VIXKSQRFHANOMW-GFCCVEGCSA-N 0 0 276.380 3.079 20 10 CGCDRN Cc1cocc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452883 638723520 /nfs/dbraw/zinc/72/35/20/638723520.db2.gz OVXORPFIRQUGHO-UHFFFAOYSA-N 0 0 284.359 3.118 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000927032767 638833977 /nfs/dbraw/zinc/83/39/77/638833977.db2.gz PIOQBIQRXSEHGK-CKYFFXLPSA-N 0 0 269.385 3.466 20 10 CGCDRN COc1ccc(N(C)Cc2c(F)cncc2F)cc1OC ZINC000929349035 638920317 /nfs/dbraw/zinc/92/03/17/638920317.db2.gz YRTNLJKCXUXUBD-UHFFFAOYSA-N 0 0 294.301 3.013 20 10 CGCDRN COCCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000117874329 639473634 /nfs/dbraw/zinc/47/36/34/639473634.db2.gz CKKZONBDQQXIFR-UHFFFAOYSA-N 0 0 285.334 3.467 20 10 CGCDRN CC(C)(CC(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000862025969 639634499 /nfs/dbraw/zinc/63/44/99/639634499.db2.gz CZHSCAVNUHXSRQ-UHFFFAOYSA-N 0 0 298.386 3.383 20 10 CGCDRN CCC(CC)CC(=O)NCc1ccc2cccnc2c1O ZINC000862026875 639635216 /nfs/dbraw/zinc/63/52/16/639635216.db2.gz BEYQAZPGMYLDBR-UHFFFAOYSA-N 0 0 286.375 3.383 20 10 CGCDRN CCCCC1(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000934704972 639663508 /nfs/dbraw/zinc/66/35/08/639663508.db2.gz NUPZAUPTIQCMIL-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1(C)CCCCC1 ZINC000156067698 639962462 /nfs/dbraw/zinc/96/24/62/639962462.db2.gz NFHZWFQHJFFFPW-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000047655128 640022487 /nfs/dbraw/zinc/02/24/87/640022487.db2.gz UONWCEVKGCAUEA-UHFFFAOYSA-N 0 0 256.349 3.152 20 10 CGCDRN Cc1ccc(CCCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159088741 640028732 /nfs/dbraw/zinc/02/87/32/640028732.db2.gz MBMJGPZJYBMUKP-UHFFFAOYSA-N 0 0 299.370 3.045 20 10 CGCDRN Cc1ccc(O)c(CNc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000189242486 640178686 /nfs/dbraw/zinc/17/86/86/640178686.db2.gz GKINGRSCVONKSQ-LBPRGKRZSA-N 0 0 271.364 3.480 20 10 CGCDRN O=C(C[C@@H]1C=CCCC1)NCCCSc1nccs1 ZINC000189478766 640196054 /nfs/dbraw/zinc/19/60/54/640196054.db2.gz KYGMIAYCRVSFRH-GFCCVEGCSA-N 0 0 296.461 3.488 20 10 CGCDRN CC(C)C[C@@H](C)N(C)C(=O)CSc1nccs1 ZINC000077591439 640248721 /nfs/dbraw/zinc/24/87/21/640248721.db2.gz GZPYZTVZIZCIQD-SNVBAGLBSA-N 0 0 272.439 3.128 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000191600003 640322089 /nfs/dbraw/zinc/32/20/89/640322089.db2.gz UCYYRRABMCXRPX-UHFFFAOYSA-N 0 0 298.386 3.209 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCO[C@H]2CCCCO2)cc1 ZINC000193131813 640434605 /nfs/dbraw/zinc/43/46/05/640434605.db2.gz JXPDCEDJCVNWIR-KRWDZBQOSA-N 0 0 293.407 3.453 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(Cl)nc2C)c1 ZINC000193478977 640464198 /nfs/dbraw/zinc/46/41/98/640464198.db2.gz AOHUFCXETHKEGO-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000194559735 640540659 /nfs/dbraw/zinc/54/06/59/640540659.db2.gz NFKSRSNEEBWCQZ-AWEZNQCLSA-N 0 0 289.423 3.084 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccc(O)c1 ZINC000195025016 640562160 /nfs/dbraw/zinc/56/21/60/640562160.db2.gz HMMSJPJGXUMPRD-JTQLQIEISA-N 0 0 261.296 3.088 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncccc2C)cc1C ZINC000244060848 640613003 /nfs/dbraw/zinc/61/30/03/640613003.db2.gz TYQLEPDJMKWIMG-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000251709530 640831667 /nfs/dbraw/zinc/83/16/67/640831667.db2.gz IBSBOPGQXXNBGL-GYSYKLTISA-N 0 0 261.369 3.215 20 10 CGCDRN CC[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000119962790 641044482 /nfs/dbraw/zinc/04/44/82/641044482.db2.gz BCRLDALSWDJFCI-QWRGUYRKSA-N 0 0 269.772 3.045 20 10 CGCDRN CN(C)c1ccc(Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001250431013 805610996 /nfs/dbraw/zinc/61/09/96/805610996.db2.gz DVOLRHVZFAEILX-UHFFFAOYSA-N 0 0 296.414 3.180 20 10 CGCDRN CSc1ccc2[nH]c(-c3ccc(O)c(O)c3)nc2c1 ZINC001250465081 805633998 /nfs/dbraw/zinc/63/39/98/805633998.db2.gz XISLLWQWGQAXKR-UHFFFAOYSA-N 0 0 272.329 3.363 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccc3c(n2)CCC3)cc1 ZINC001156923808 805753141 /nfs/dbraw/zinc/75/31/41/805753141.db2.gz GOJIOWWBSYISRU-UHFFFAOYSA-N 0 0 281.403 3.273 20 10 CGCDRN Oc1cc(-c2nc3c(ccc(F)c3Cl)[nH]2)cc(O)c1O ZINC001251248284 805872307 /nfs/dbraw/zinc/87/23/07/805872307.db2.gz JIYIRZJWIMDNRP-UHFFFAOYSA-N 0 0 294.669 3.139 20 10 CGCDRN CCCC[C@@H](O)CNc1ccccc1OCC1CC1 ZINC001252104937 805998323 /nfs/dbraw/zinc/99/83/23/805998323.db2.gz LQUBCNVINICQGF-CQSZACIVSA-N 0 0 263.381 3.438 20 10 CGCDRN Oc1ccc(CNc2nccc3ccc(F)cc32)cc1O ZINC001158995973 806028886 /nfs/dbraw/zinc/02/88/86/806028886.db2.gz VCZYJJZVEPGUTK-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN COC(=O)c1cccc2nc(Nc3ccc(N)cc3)sc21 ZINC001159115016 806045033 /nfs/dbraw/zinc/04/50/33/806045033.db2.gz FHWMACGZALCNQI-UHFFFAOYSA-N 0 0 299.355 3.409 20 10 CGCDRN COc1nc(Br)ccc1Nc1ccc(N)cc1 ZINC001159131271 806045765 /nfs/dbraw/zinc/04/57/65/806045765.db2.gz JDIWOMXHDZTKQP-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN Nc1ccc(Nc2cnccc2OC(F)(F)F)cc1 ZINC001159363978 806087529 /nfs/dbraw/zinc/08/75/29/806087529.db2.gz GWOUSXIQSWUPDS-UHFFFAOYSA-N 0 0 269.226 3.306 20 10 CGCDRN CCC[C@@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001252793236 806118845 /nfs/dbraw/zinc/11/88/45/806118845.db2.gz IQCGCDNAZBNKLC-GFCCVEGCSA-N 0 0 281.355 3.471 20 10 CGCDRN CCc1ccc(-c2nnc(Cc3ccc(O)c(O)c3)o2)cc1 ZINC001252972986 806143754 /nfs/dbraw/zinc/14/37/54/806143754.db2.gz QQJDGDMMDCVWFX-UHFFFAOYSA-N 0 0 296.326 3.301 20 10 CGCDRN COC(=O)c1c(C)cccc1Nc1ccc(N)cc1 ZINC001159851258 806186526 /nfs/dbraw/zinc/18/65/26/806186526.db2.gz XIRDBUMAVJYAMF-UHFFFAOYSA-N 0 0 256.305 3.107 20 10 CGCDRN COC(=O)c1cc(C)c(C)cc1Nc1ccc(N)cc1 ZINC001160006081 806212567 /nfs/dbraw/zinc/21/25/67/806212567.db2.gz OYWYGAGMYHZFGU-UHFFFAOYSA-N 0 0 270.332 3.416 20 10 CGCDRN COC(=O)c1ccc(O)cc1Nc1ccc2c(c1)CCCN2 ZINC001160250020 806240799 /nfs/dbraw/zinc/24/07/99/806240799.db2.gz MNKYEGNZQKNHOF-UHFFFAOYSA-N 0 0 298.342 3.281 20 10 CGCDRN Cc1cc(Cl)nc(NCc2cccc(C)c2O)n1 ZINC001160765059 806300064 /nfs/dbraw/zinc/30/00/64/806300064.db2.gz QTPPWHYIFYCEPD-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN CSc1cc(NCc2c(C)cc(C)cc2O)ncn1 ZINC001160808067 806303957 /nfs/dbraw/zinc/30/39/57/806303957.db2.gz IFKLUZXVTVQVOV-UHFFFAOYSA-N 0 0 275.377 3.133 20 10 CGCDRN Cc1cc(C)c(CNc2nccc(F)c2C)c(O)c1 ZINC001160809941 806306469 /nfs/dbraw/zinc/30/64/69/806306469.db2.gz FLDLPXGINFLMSB-UHFFFAOYSA-N 0 0 260.312 3.464 20 10 CGCDRN CNc1ccccc1NCc1nc2ccccc2o1 ZINC001161972031 806494624 /nfs/dbraw/zinc/49/46/24/806494624.db2.gz HWBBAJJXFMHXBO-UHFFFAOYSA-N 0 0 253.305 3.482 20 10 CGCDRN Nc1ccc(CNc2cnc3cc(Cl)ccc3n2)cc1 ZINC001162784141 806664567 /nfs/dbraw/zinc/66/45/67/806664567.db2.gz GFCHLLGSXCFKBX-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN CCCCc1cc(NCc2ccc(N)cc2)ncn1 ZINC001162787157 806665663 /nfs/dbraw/zinc/66/56/63/806665663.db2.gz GUMQCGXCYUSENG-UHFFFAOYSA-N 0 0 256.353 3.014 20 10 CGCDRN Nc1ccc(CNc2ccc(-c3cccs3)nn2)cc1 ZINC001162786444 806666163 /nfs/dbraw/zinc/66/61/63/806666163.db2.gz WAMGNZIDEDAJTP-UHFFFAOYSA-N 0 0 282.372 3.399 20 10 CGCDRN Nc1ccc(CNC(F)(F)Oc2ccnc(Cl)c2)cc1 ZINC001162790019 806666639 /nfs/dbraw/zinc/66/66/39/806666639.db2.gz PSXDPTTXRQPVGB-UHFFFAOYSA-N 0 0 299.708 3.036 20 10 CGCDRN O=C1CCCN1c1ccc(NCc2ccccc2O)cc1 ZINC000036943697 798852611 /nfs/dbraw/zinc/85/26/11/798852611.db2.gz KUIBDPKGKLZYPZ-UHFFFAOYSA-N 0 0 282.343 3.131 20 10 CGCDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1O ZINC000036966995 798854388 /nfs/dbraw/zinc/85/43/88/798854388.db2.gz QJOUSNXJNLXSJH-UHFFFAOYSA-N 0 0 262.240 3.052 20 10 CGCDRN CC[C@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323316 798866308 /nfs/dbraw/zinc/86/63/08/798866308.db2.gz NYFGUEVZYAJURX-JTQLQIEISA-N 0 0 267.344 3.212 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2ccccc2[nH]1 ZINC000037842149 798875922 /nfs/dbraw/zinc/87/59/22/798875922.db2.gz ABFDTAUZOPAJTH-UHFFFAOYSA-N 0 0 280.327 3.146 20 10 CGCDRN Oc1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000076275404 798924041 /nfs/dbraw/zinc/92/40/41/798924041.db2.gz ROPGGNIXGRHYPU-UHFFFAOYSA-N 0 0 294.148 3.472 20 10 CGCDRN OCCCc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000315617474 799237304 /nfs/dbraw/zinc/23/73/04/799237304.db2.gz VICVGFPNMFVDJA-INIZCTEOSA-N 0 0 283.371 3.417 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000380004411 799355916 /nfs/dbraw/zinc/35/59/16/799355916.db2.gz BCCIYGMMEZHFQX-NSHDSACASA-N 0 0 288.174 3.481 20 10 CGCDRN Oc1ccccc1CNc1cc(Br)ccn1 ZINC000381537247 799381793 /nfs/dbraw/zinc/38/17/93/799381793.db2.gz GCRLFVIFQOJZMF-UHFFFAOYSA-N 0 0 279.137 3.162 20 10 CGCDRN C[C@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000381715219 799385875 /nfs/dbraw/zinc/38/58/75/799385875.db2.gz JAHFUDKICJVFMA-QPUJVOFHSA-N 0 0 289.206 3.011 20 10 CGCDRN C[N@@H+](Cc1cccc(F)c1[O-])CC1CC(F)(F)C1 ZINC000383488158 799402862 /nfs/dbraw/zinc/40/28/62/799402862.db2.gz FRMVOTPBLRCFEK-UHFFFAOYSA-N 0 0 259.271 3.008 20 10 CGCDRN CC(C)(C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000393965277 799492153 /nfs/dbraw/zinc/49/21/53/799492153.db2.gz NHZYMYZPPOQUON-NSHDSACASA-N 0 0 292.206 3.196 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000395239765 799504251 /nfs/dbraw/zinc/50/42/51/799504251.db2.gz YHUZLWUXORTJGA-XHDPSFHLSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H](c1ccccc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403376 799689360 /nfs/dbraw/zinc/68/93/60/799689360.db2.gz FTVQRKPZXAXIHL-PRWOLLLXSA-N 0 0 297.354 3.331 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588554452 799710219 /nfs/dbraw/zinc/71/02/19/799710219.db2.gz DTJAZHOGHGNDKO-YRVUAQOOSA-N 0 0 289.375 3.196 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1ccc[nH]1 ZINC000588549343 799710502 /nfs/dbraw/zinc/71/05/02/799710502.db2.gz XIMPWIBLLKWVJF-KTKRTIGZSA-N 0 0 284.359 3.172 20 10 CGCDRN Nc1ccc(NC(=O)N[C@H]2CCCC3(CC3)C2)cc1 ZINC000695659154 799831387 /nfs/dbraw/zinc/83/13/87/799831387.db2.gz NERUPHPRYJHEPV-ZDUSSCGKSA-N 0 0 259.353 3.113 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)ccc(F)c1F ZINC000703532677 799926289 /nfs/dbraw/zinc/92/62/89/799926289.db2.gz UTCYTCHTHUZAHU-VIFPVBQESA-N 0 0 295.251 3.445 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@H]2C)c1O ZINC000706808762 799967161 /nfs/dbraw/zinc/96/71/61/799967161.db2.gz VGSYVRAFYLFFLY-DTWKUNHWSA-N 0 0 267.756 3.088 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCC(F)(F)F ZINC000708453199 799988118 /nfs/dbraw/zinc/98/81/18/799988118.db2.gz FMSOEXQOPZBPHP-UHFFFAOYSA-N 0 0 269.213 3.103 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOC1CCCCC1 ZINC000708394258 799988218 /nfs/dbraw/zinc/98/82/18/799988218.db2.gz UDZMSXITCYJPDY-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000708420277 799989235 /nfs/dbraw/zinc/98/92/35/799989235.db2.gz HUVAFDJDDHVNQO-LLVKDONJSA-N 0 0 275.298 3.100 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000708465511 799989414 /nfs/dbraw/zinc/98/94/14/799989414.db2.gz JEXTWIINTUTUIV-CYBMUJFWSA-N 0 0 279.286 3.431 20 10 CGCDRN C[C@H](CC1CCC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000710258798 800031388 /nfs/dbraw/zinc/03/13/88/800031388.db2.gz DTYCSZKZNYGNIP-SECBINFHSA-N 0 0 255.308 3.339 20 10 CGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1C=CCC1 ZINC000715817816 800147688 /nfs/dbraw/zinc/14/76/88/800147688.db2.gz JSVDQXROXOCKCN-SNVBAGLBSA-N 0 0 286.144 3.102 20 10 CGCDRN CNc1ccccc1NC[C@H]1Cc2ccccc2O1 ZINC001163867376 806840420 /nfs/dbraw/zinc/84/04/20/806840420.db2.gz VKTYXUZVDUTGKE-CYBMUJFWSA-N 0 0 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804690269 /nfs/dbraw/zinc/69/02/69/804690269.db2.gz HLYOYYPOFHZIGE-AATRIKPKSA-N 0 0 296.370 3.470 20 10 CGCDRN O=C1CCN(Cc2cc(F)c(F)cc2O)[C@@H]2CCCC[C@H]12 ZINC001142508889 804727861 /nfs/dbraw/zinc/72/78/61/804727861.db2.gz OXHQIQBEYVOLRH-SMDDNHRTSA-N 0 0 295.329 3.004 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001142508526 804728158 /nfs/dbraw/zinc/72/81/58/804728158.db2.gz BXGXNMQCFPYBJI-VIFPVBQESA-N 0 0 295.251 3.097 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001142513074 804729234 /nfs/dbraw/zinc/72/92/34/804729234.db2.gz VZXABMQNVKHLTQ-WDEREUQCSA-N 0 0 267.319 3.292 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001142524655 804731755 /nfs/dbraw/zinc/73/17/55/804731755.db2.gz FXZGDOLURCAZHR-GFCCVEGCSA-N 0 0 290.313 3.055 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1[O-] ZINC001142527053 804732850 /nfs/dbraw/zinc/73/28/50/804732850.db2.gz IOXGPNGFIMXYPO-UHFFFAOYSA-N 0 0 293.313 3.398 20 10 CGCDRN C[N@H+](Cc1ccc(Cl)nc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527421 804734222 /nfs/dbraw/zinc/73/42/22/804734222.db2.gz UIRLWHOUFYCMBO-UHFFFAOYSA-N 0 0 298.720 3.351 20 10 CGCDRN Cc1cccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1C ZINC001247959202 804856314 /nfs/dbraw/zinc/85/63/14/804856314.db2.gz LYRFOBCPSRFLQL-UHFFFAOYSA-N 0 0 296.326 3.355 20 10 CGCDRN COc1cc(-c2noc(Cc3ccc(N)cc3)n2)ccc1C ZINC001248183090 804891696 /nfs/dbraw/zinc/89/16/96/804891696.db2.gz CUDSMUQJFDWESA-UHFFFAOYSA-N 0 0 295.342 3.227 20 10 CGCDRN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])CC1CC1 ZINC001144298282 804969724 /nfs/dbraw/zinc/96/97/24/804969724.db2.gz ATDFXIGHGXZWHD-UHFFFAOYSA-N 0 0 288.160 3.136 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc3n2CCC3)cc1 ZINC001248825334 805009153 /nfs/dbraw/zinc/00/91/53/805009153.db2.gz ZPNDDELSQYQPDP-UHFFFAOYSA-N 0 0 283.419 3.132 20 10 CGCDRN CCCC[C@H](CCC)NC(=O)c1ccc(C)c(O)c1O ZINC001148998372 805217434 /nfs/dbraw/zinc/21/74/34/805217434.db2.gz WKAACJVMMUKVKA-LBPRGKRZSA-N 0 0 279.380 3.495 20 10 CGCDRN 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20 10 CGCDRN Oc1cc(Cl)c(F)cc1CN1CC2(C1)CC(F)(F)C2 ZINC001237940283 819886755 /nfs/dbraw/zinc/88/67/55/819886755.db2.gz COMNCMABDLORID-UHFFFAOYSA-N 0 0 291.700 3.416 20 10 CGCDRN Oc1cc(Cl)c(F)cc1CN1CCC[C@@H](F)C1 ZINC001237937956 819888125 /nfs/dbraw/zinc/88/81/25/819888125.db2.gz VUTKCNPSXCHXOP-SECBINFHSA-N 0 0 261.699 3.119 20 10 CGCDRN Oc1cc(Cl)c(F)cc1CN1Cc2ncsc2C1 ZINC001237940457 819889703 /nfs/dbraw/zinc/88/97/03/819889703.db2.gz LLBOFGDNHAKFKO-UHFFFAOYSA-N 0 0 284.743 3.157 20 10 CGCDRN Cc1cc(CN2CCc3cccc(O)c3C2)ncc1Cl ZINC001238421017 819990267 /nfs/dbraw/zinc/99/02/67/819990267.db2.gz DRKMJSCSGFVQQR-UHFFFAOYSA-N 0 0 288.778 3.307 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2conc2C)cn1 ZINC001243677358 823482547 /nfs/dbraw/zinc/48/25/47/823482547.db2.gz BAXIJYLDWGVOMW-UHFFFAOYSA-N 0 0 253.305 3.453 20 10 CGCDRN Cn1c(=O)cnc2ccc(-c3cncc4ccccc43)cc21 ZINC001239946258 820727933 /nfs/dbraw/zinc/72/79/33/820727933.db2.gz SQWOUFQUWIYSEU-UHFFFAOYSA-N 0 0 287.322 3.149 20 10 CGCDRN Cn1ccc2ccc(-c3ncnc4c3ncn4C3CC3)cc21 ZINC001240572743 821158771 /nfs/dbraw/zinc/15/87/71/821158771.db2.gz UZENROKJNSVEDY-UHFFFAOYSA-N 0 0 289.342 3.320 20 10 CGCDRN COCCOc1cncc(-c2ccc3ccn(C)c3c2)c1 ZINC001240576458 821162475 /nfs/dbraw/zinc/16/24/75/821162475.db2.gz IEALSBKNNUDDLF-UHFFFAOYSA-N 0 0 282.343 3.266 20 10 CGCDRN c1ccc(N2CC=C(c3cncc4nccnc43)CC2)cc1 ZINC001241354417 821756177 /nfs/dbraw/zinc/75/61/77/821756177.db2.gz CHPSVIYETHHGOM-UHFFFAOYSA-N 0 0 288.354 3.319 20 10 CGCDRN CCc1ncncc1C1=CCN(c2ccccc2)CC1 ZINC001241355832 821756920 /nfs/dbraw/zinc/75/69/20/821756920.db2.gz SCELFQYCTXMHCJ-UHFFFAOYSA-N 0 0 265.360 3.333 20 10 CGCDRN COc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)s1 ZINC001241415200 821811011 /nfs/dbraw/zinc/81/10/11/821811011.db2.gz RGQKTHIGKOLAGI-UHFFFAOYSA-N 0 0 298.367 3.029 20 10 CGCDRN Cn1ccc2c1nccc2-c1cccc2cnn(C)c21 ZINC001241458338 821858055 /nfs/dbraw/zinc/85/80/55/821858055.db2.gz SFSAZXLCBGTZSB-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN CN(C)c1ccccc1-c1cc(=O)n(C)c2ccccc12 ZINC001242194100 822906050 /nfs/dbraw/zinc/90/60/50/822906050.db2.gz HPMTXRYORAMDQN-UHFFFAOYSA-N 0 0 278.355 3.272 20 10 CGCDRN Cn1ccc2c1ncnc2-c1cccnc1C(F)(F)F ZINC001242372105 822971742 /nfs/dbraw/zinc/97/17/42/822971742.db2.gz AHZFCRFFRTZCLV-UHFFFAOYSA-N 0 0 278.237 3.049 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)C(F)(F)F)c1ccccc1O ZINC001347962695 936903960 /nfs/dbraw/zinc/90/39/60/936903960.db2.gz DRSUDQPVLMJFJM-MRVPVSSYSA-N 0 0 275.270 3.158 20 10 CGCDRN COC(=O)c1cnc(SCCC=C(C)C)s1 ZINC001350120704 936979489 /nfs/dbraw/zinc/97/94/89/936979489.db2.gz WQNDUZRPOACBCR-UHFFFAOYSA-N 0 0 257.380 3.378 20 10 CGCDRN C[C@H](Nc1nccnc1Cl)c1ccc(N(C)C)cc1 ZINC001352012837 937032194 /nfs/dbraw/zinc/03/21/94/937032194.db2.gz ZMVRLWYODMBPNO-JTQLQIEISA-N 0 0 276.771 3.369 20 10 CGCDRN Cc1ccccc1OCCC(=O)N1Cc2cccc(O)c2C1 ZINC001352061895 937034222 /nfs/dbraw/zinc/03/42/22/937034222.db2.gz MDYFSCGDOVRRTN-UHFFFAOYSA-N 0 0 297.354 3.012 20 10 CGCDRN CCN(c1nnc(C2SC=CC2=O)n1C)C1CCCC1 ZINC001355344914 937137546 /nfs/dbraw/zinc/13/75/46/937137546.db2.gz QBWGYUCGZVGGKS-UHFFFAOYSA-N 0 0 292.408 3.018 20 10 CGCDRN C[N@H+](Cc1cccs1)Cc1cc(F)cc(F)c1[O-] ZINC001474315681 937204552 /nfs/dbraw/zinc/20/45/52/937204552.db2.gz SYLGGXQKNOTMPL-UHFFFAOYSA-N 0 0 269.316 3.364 20 10 CGCDRN C(=C/c1ccncn1)\c1ccc(N2CCCC2)cc1 ZINC000217619217 928158126 /nfs/dbraw/zinc/15/81/26/928158126.db2.gz NIIXJNWUAFBIGN-ZZXKWVIFSA-N 0 0 251.333 3.247 20 10 CGCDRN COc1ccc(OC)c(N(C)c2ccc(N)cc2)c1 ZINC000259348663 928229783 /nfs/dbraw/zinc/22/97/83/928229783.db2.gz SYKJICDNQROLGU-UHFFFAOYSA-N 0 0 258.321 3.054 20 10 CGCDRN C/C(=C/C(=O)N(C)c1ccc(C)c(C)c1)c1cnccn1 ZINC001434944918 937250624 /nfs/dbraw/zinc/25/06/24/937250624.db2.gz YPGPRDGOSJMYOM-UVTDQMKNSA-N 0 0 281.359 3.160 20 10 CGCDRN CCCCCC[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC001440872676 937334524 /nfs/dbraw/zinc/33/45/24/937334524.db2.gz HUWLGGQNTWSSFX-GFCCVEGCSA-N 0 0 279.380 3.495 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc(F)c(C)cc2F)c1 ZINC001453653597 937404002 /nfs/dbraw/zinc/40/40/02/937404002.db2.gz VXRHOTLJKRJFOU-UHFFFAOYSA-N 0 0 291.297 3.217 20 10 CGCDRN CC(=O)c1csc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001454808893 937412689 /nfs/dbraw/zinc/41/26/89/937412689.db2.gz YRMSELGZGUYHFA-SECBINFHSA-N 0 0 289.356 3.147 20 10 CGCDRN COC(=O)c1cnc(SCC[C@@H]2C[C@H]2C2CC2)s1 ZINC001459106255 937480404 /nfs/dbraw/zinc/48/04/04/937480404.db2.gz RCDWATZDPCVDKY-ZJUUUORDSA-N 0 0 283.418 3.458 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C\c1cccnc1C ZINC001459814176 937501733 /nfs/dbraw/zinc/50/17/33/937501733.db2.gz MJNUVPMCILKENI-VURMDHGXSA-N 0 0 278.355 3.301 20 10 CGCDRN Cc1cccc2c1CC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001461178100 937568230 /nfs/dbraw/zinc/56/82/30/937568230.db2.gz NXNCWDPDSATBRX-MRXNPFEDSA-N 0 0 298.342 3.386 20 10 CGCDRN Cc1ccc2cc(C(=O)NCc3c(O)cccc3F)[nH]c2c1 ZINC001303879334 932836960 /nfs/dbraw/zinc/83/69/60/932836960.db2.gz YKTZRYRYESBKMR-UHFFFAOYSA-N 0 0 298.317 3.251 20 10 CGCDRN CCCc1ccc(C(=O)NCc2c(O)cccc2O)s1 ZINC001304053956 932841351 /nfs/dbraw/zinc/84/13/51/932841351.db2.gz XNBFBJSWQGHQSM-UHFFFAOYSA-N 0 0 291.372 3.042 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC2(CCCC2)O1 ZINC001462408362 937638548 /nfs/dbraw/zinc/63/85/48/937638548.db2.gz VVTJPWJGMYORLE-NSHDSACASA-N 0 0 297.345 3.204 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H](C)O1 ZINC001462433543 937640645 /nfs/dbraw/zinc/64/06/45/937640645.db2.gz BVYVJVSDEFADSO-MNOVXSKESA-N 0 0 269.772 3.045 20 10 CGCDRN COC/C(C)=C/CN1CCCc2cc(OC)cc(OC)c21 ZINC001307840333 933006763 /nfs/dbraw/zinc/00/67/63/933006763.db2.gz AZVCQXSTQOKLHQ-NTUHNPAUSA-N 0 0 291.391 3.049 20 10 CGCDRN CCn1ncc(NCc2ccc(Cl)cc2O)c1C ZINC001462553995 937649942 /nfs/dbraw/zinc/64/99/42/937649942.db2.gz ANMGFCQZYSBELZ-UHFFFAOYSA-N 0 0 265.744 3.183 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462575421 937651378 /nfs/dbraw/zinc/65/13/78/937651378.db2.gz CGCLWELCIAGTNI-PKZYVASSSA-N 0 0 267.319 3.052 20 10 CGCDRN CCCC[N@H+](Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001308588693 933138198 /nfs/dbraw/zinc/13/81/98/933138198.db2.gz ACIZBCVIKAMHSY-UHFFFAOYSA-N 0 0 255.308 3.435 20 10 CGCDRN CCCn1cncc1CN(C)c1ccc(OC)c(F)c1 ZINC001308678095 933155949 /nfs/dbraw/zinc/15/59/49/933155949.db2.gz VESMPIPIGCOPJJ-UHFFFAOYSA-N 0 0 277.343 3.077 20 10 CGCDRN CC(C)c1nnc(CNCc2cc(C(C)C)ccc2O)[nH]1 ZINC001308781813 933175185 /nfs/dbraw/zinc/17/51/85/933175185.db2.gz HHLCDYLWYKXISO-UHFFFAOYSA-N 0 0 288.395 3.047 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001308944321 933210043 /nfs/dbraw/zinc/21/00/43/933210043.db2.gz QMGSJKBZLABEMT-LLVKDONJSA-N 0 0 299.773 3.234 20 10 CGCDRN O=C(c1ccccc1-c1cn[nH]c1)N1CCc2ccccc21 ZINC001463620748 937678047 /nfs/dbraw/zinc/67/80/47/937678047.db2.gz HPXCAQZWCJBUFD-UHFFFAOYSA-N 0 0 289.338 3.280 20 10 CGCDRN O=C(NCc1ccccc1O)c1sccc1C(F)F ZINC001465990687 937705645 /nfs/dbraw/zinc/70/56/45/937705645.db2.gz ORXDKVPSAMGJKC-UHFFFAOYSA-N 0 0 283.299 3.321 20 10 CGCDRN C=C/C=C\CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001467259088 937716650 /nfs/dbraw/zinc/71/66/50/937716650.db2.gz CAOZTJVRWUAKTP-FMFIFOJESA-N 0 0 258.365 3.062 20 10 CGCDRN COc1ccc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2n1 ZINC001319617811 933902194 /nfs/dbraw/zinc/90/21/94/933902194.db2.gz LSMZZBGUGAVRGC-UHFFFAOYSA-N 0 0 294.358 3.234 20 10 CGCDRN CCN1CCN(Cc2cccc(OC)c2O)c2ccccc21 ZINC001319947536 933962635 /nfs/dbraw/zinc/96/26/35/933962635.db2.gz VGAFTBSCXRCRFF-UHFFFAOYSA-N 0 0 298.386 3.247 20 10 CGCDRN O=C(c1ccc(C(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC001471355504 937764839 /nfs/dbraw/zinc/76/48/39/937764839.db2.gz JIBSGBPZIJGFHU-UHFFFAOYSA-N 0 0 289.281 3.486 20 10 CGCDRN CC(C)[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001472084907 937772309 /nfs/dbraw/zinc/77/23/09/937772309.db2.gz GZFHFWMXDYRGDX-GFCCVEGCSA-N 0 0 271.360 3.454 20 10 CGCDRN CC(C)=CCC[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC001324494469 934514958 /nfs/dbraw/zinc/51/49/58/934514958.db2.gz HZJXTRQSDZHMGT-JTQLQIEISA-N 0 0 281.327 3.102 20 10 CGCDRN CC1(CNC(=O)c2c(F)ccc(O)c2O)CCCCCC1 ZINC001472537791 937777107 /nfs/dbraw/zinc/77/71/07/937777107.db2.gz HWORJEPUIAVOLW-UHFFFAOYSA-N 0 0 295.354 3.327 20 10 CGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC001472507402 937777259 /nfs/dbraw/zinc/77/72/59/937777259.db2.gz AEMSSIDOPZYOHI-MNOVXSKESA-N 0 0 295.354 3.182 20 10 CGCDRN COc1cccc(CNc2nc3ccc(F)cc3o2)c1O ZINC001472684137 937780446 /nfs/dbraw/zinc/78/04/46/937780446.db2.gz DEOSIEIGPNHTMX-UHFFFAOYSA-N 0 0 288.278 3.293 20 10 CGCDRN Cc1ccc(N2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC001472860215 937787143 /nfs/dbraw/zinc/78/71/43/937787143.db2.gz WZMDYXNSTZZLTF-UHFFFAOYSA-N 0 0 270.288 3.129 20 10 CGCDRN COc1ccc(O)c(C[NH+]2CC(c3ccc(F)cc3)C2)c1 ZINC001326786321 935006606 /nfs/dbraw/zinc/00/66/06/935006606.db2.gz IMGDYOZWMZEJKW-UHFFFAOYSA-N 0 0 287.334 3.139 20 10 CGCDRN Cc1coc(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC001329881174 935251498 /nfs/dbraw/zinc/25/14/98/935251498.db2.gz ITRIKEYXZJSWMH-NSHDSACASA-N 0 0 259.305 3.093 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCC[C@@H](F)C1)c1ccccc1O ZINC001330583077 935298752 /nfs/dbraw/zinc/29/87/52/935298752.db2.gz ZJVKYRCXTRSGGK-IJLUTSLNSA-N 0 0 280.343 3.033 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCC[C@@H](F)C1)c1ccccc1O ZINC001330583078 935299307 /nfs/dbraw/zinc/29/93/07/935299307.db2.gz ZJVKYRCXTRSGGK-UTUOFQBUSA-N 0 0 280.343 3.033 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1c([O-])cccc1F ZINC001332365916 935463458 /nfs/dbraw/zinc/46/34/58/935463458.db2.gz SEJHMWAMZYCLRO-DCAQKATOSA-N 0 0 255.308 3.463 20 10 CGCDRN Oc1cc(Br)ccc1C[NH2+]CCCC(F)F ZINC001333796026 936067423 /nfs/dbraw/zinc/06/74/23/936067423.db2.gz LOIIFXBXFXBSND-UHFFFAOYSA-N 0 0 294.139 3.290 20 10 CGCDRN COc1ccc2c(c1)CCN2CCCC(F)(F)F ZINC001334872069 936119699 /nfs/dbraw/zinc/11/96/99/936119699.db2.gz GAOVELSWHRCBRZ-UHFFFAOYSA-N 0 0 259.271 3.400 20 10 CGCDRN Cc1ccc(O)c(CNc2nc(C(C)(C)C)ns2)c1 ZINC001334939383 936123536 /nfs/dbraw/zinc/12/35/36/936123536.db2.gz MQTSENLXUUSEPH-UHFFFAOYSA-N 0 0 277.393 3.462 20 10 CGCDRN CC(C)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001336290903 936186889 /nfs/dbraw/zinc/18/68/89/936186889.db2.gz WMXWVUKEQQIQMK-HNNXBMFYSA-N 0 0 289.423 3.237 20 10 CGCDRN CC(C)CC[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1 ZINC001336289877 936186985 /nfs/dbraw/zinc/18/69/85/936186985.db2.gz BRJCZXYEQICCPR-INIZCTEOSA-N 0 0 289.423 3.379 20 10 CGCDRN Cc1cc([C@H](C)NC(=O)NCc2ccc(N)cc2)c(C)o1 ZINC001336770652 936216128 /nfs/dbraw/zinc/21/61/28/936216128.db2.gz KKWRESUNBFOPKB-NSHDSACASA-N 0 0 287.363 3.039 20 10 CGCDRN CC(C)C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337069807 936235506 /nfs/dbraw/zinc/23/55/06/936235506.db2.gz CCMMFWGFXAKYNA-HNNXBMFYSA-N 0 0 289.423 3.237 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H](c2ccsc2)O1 ZINC001337837580 936293518 /nfs/dbraw/zinc/29/35/18/936293518.db2.gz CSSWODQYULUJKH-WBMJQRKESA-N 0 0 288.416 3.292 20 10 CGCDRN CC[C@H](NCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC001474117056 937841082 /nfs/dbraw/zinc/84/10/82/937841082.db2.gz NFCZBMJIWFNORT-ZDUSSCGKSA-N 0 0 273.298 3.442 20 10 CGCDRN CC1(C)CO[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001474257013 937846954 /nfs/dbraw/zinc/84/69/54/937846954.db2.gz DGKFCHWXOCFFRI-LLVKDONJSA-N 0 0 287.762 3.089 20 10 CGCDRN CC[C@@H](NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC001474306451 937849656 /nfs/dbraw/zinc/84/96/56/937849656.db2.gz MBEPCWWYOFYWQP-GFCCVEGCSA-N 0 0 259.271 3.052 20 10 CGCDRN CCN(Cc1cn(C2CC2)cn1)Cc1ccc(N(C)C)cc1 ZINC001474409129 937858127 /nfs/dbraw/zinc/85/81/27/937858127.db2.gz PQBVHJISDIVLAG-UHFFFAOYSA-N 0 0 298.434 3.306 20 10 CGCDRN Cc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC001477376547 937895176 /nfs/dbraw/zinc/89/51/76/937895176.db2.gz DRJAZRPBBYQKBY-UHFFFAOYSA-N 0 0 284.359 3.008 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1ccc(F)cc1 ZINC001516966916 938010484 /nfs/dbraw/zinc/01/04/84/938010484.db2.gz RFCGEGDJBXJANK-YHYXMXQVSA-N 0 0 270.307 3.205 20 10 CGCDRN CCCCC[C@@H](C)CC(=O)NCc1cccc(O)c1O ZINC001520508929 938026074 /nfs/dbraw/zinc/02/60/74/938026074.db2.gz PGGCYJJOUKSTEO-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN O=C(NC[C@H]1C[C@H]1C1CCCC1)C1=CC(=O)CS1 ZINC001522616914 938037214 /nfs/dbraw/zinc/03/72/14/938037214.db2.gz MPLDOBHXPOXMII-PWSUYJOCSA-N 0 0 265.378 3.010 20 10 CGCDRN CCc1cccc(N(C)C(=O)/C=C/c2cccnc2)c1 ZINC001528153033 938065852 /nfs/dbraw/zinc/06/58/52/938065852.db2.gz HFGPELUZRZXGQY-MDZDMXLPSA-N 0 0 266.344 3.320 20 10 CGCDRN C=C/C=C/CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001542370915 938135759 /nfs/dbraw/zinc/13/57/59/938135759.db2.gz JSSYFRFANWQHIB-BQYQJAHWSA-N 0 0 272.392 3.233 20 10 CGCDRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c(O)c1O ZINC001556417774 938203792 /nfs/dbraw/zinc/20/37/92/938203792.db2.gz CYLDRUHOZKQJQH-UHTWSYAYSA-N 0 0 291.391 3.208 20 10 CGCDRN CCCCC[C@@H](C)CC(=O)NCc1cc(O)ccc1O ZINC001558174054 938213932 /nfs/dbraw/zinc/21/39/32/938213932.db2.gz CSFCGLKKKAALPE-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN CCC1(C(=O)NCc2cc(O)ccc2O)CCCCC1 ZINC001558175184 938213989 /nfs/dbraw/zinc/21/39/89/938213989.db2.gz HBTVXFXPAVEZDL-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN Cc1ccc(C(=O)Nc2cncc(C(C)C)c2)c(O)c1O ZINC001558647611 938216820 /nfs/dbraw/zinc/21/68/20/938216820.db2.gz NWPYFRUNOVGVTN-UHFFFAOYSA-N 0 0 286.331 3.177 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)c1cccc(F)c1 ZINC001558756824 938217496 /nfs/dbraw/zinc/21/74/96/938217496.db2.gz CUJCRDGRFSNJAT-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001560524901 938261694 /nfs/dbraw/zinc/26/16/94/938261694.db2.gz FLULZFHXXQJKIH-GXFFZTMASA-N 0 0 278.352 3.215 20 10 CGCDRN COc1cccc(NC/C=C\c2ccc(N(C)C)cc2)n1 ZINC001560530360 938261934 /nfs/dbraw/zinc/26/19/34/938261934.db2.gz HTPQTQHREYAZAM-WAYWQWQTSA-N 0 0 283.375 3.282 20 10 CGCDRN COc1cc(C)cc(CNc2ccc(Cl)nc2)c1O ZINC001560723042 938272465 /nfs/dbraw/zinc/27/24/65/938272465.db2.gz GQXVFYNHNWXWAB-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560778508 938275538 /nfs/dbraw/zinc/27/55/38/938275538.db2.gz DCJDIJWKMOTHBR-GDBMZVCRSA-N 0 0 299.361 3.354 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCCO1 ZINC001561030450 938290439 /nfs/dbraw/zinc/29/04/39/938290439.db2.gz NYRFAEMYJVCRSB-CQSZACIVSA-N 0 0 287.762 3.234 20 10 CGCDRN Cc1cc(C[NH2+]C2CC(C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC001594304373 957950798 /nfs/dbraw/zinc/95/07/98/957950798.db2.gz IXRVGLMIQHRQIG-UHFFFAOYSA-N 0 0 298.386 3.047 20 10 CGCDRN C[C@@H](NC(=O)NCC12CCC(CC1)C2)c1ccccc1O ZINC001564481412 960651180 /nfs/dbraw/zinc/65/11/80/960651180.db2.gz KTWQAJJRXIOYSE-SFYCDEOASA-N 0 0 288.391 3.333 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc(Cl)n1 ZINC001584506686 962933725 /nfs/dbraw/zinc/93/37/25/962933725.db2.gz LONKZJOIJRBMNY-VOTSOKGWSA-N 0 0 293.779 3.176 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc(O)c(C)c2)c1 ZINC001587082116 963167640 /nfs/dbraw/zinc/16/76/40/963167640.db2.gz FBCQBTKYNDAEJE-DAXSKMNVSA-N 0 0 282.343 3.080 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2ccn(C)c2c1)c1ccccc1O ZINC001587447565 963194845 /nfs/dbraw/zinc/19/48/45/963194845.db2.gz WVVOIVNHIJCQQE-GFCCVEGCSA-N 0 0 294.354 3.375 20 10 CGCDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)c1ccc(N(C)C)cc1 ZINC000315545118 963913719 /nfs/dbraw/zinc/91/37/19/963913719.db2.gz CIGNDUFGGBZKFU-GUYCJALGSA-N 0 0 298.386 3.229 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C(=O)[O-] ZINC001603462023 973311182 /nfs/dbraw/zinc/31/11/82/973311182.db2.gz XCLOWIKCIKMXDR-SWLSCSKDSA-N 0 0 299.370 3.088 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1ccc(Cl)cc1O)C(=O)[O-] ZINC001595079730 979365099 /nfs/dbraw/zinc/36/50/99/979365099.db2.gz WWXQZRHETMGAMB-UHFFFAOYSA-N 0 0 285.771 3.026 20 10 CGCDRN CCCC[N@H+](CCCCC(=O)[O-])Cc1ccccc1O ZINC001595744246 982407315 /nfs/dbraw/zinc/40/73/15/982407315.db2.gz BCKGWYBLQWBJPC-UHFFFAOYSA-N 0 0 279.380 3.249 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593240702 994430414 /nfs/dbraw/zinc/43/04/14/994430414.db2.gz RNXUWHTVKRBSDK-MNOVXSKESA-N 0 0 279.380 3.423 20 10 CGCDRN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000007366205 344868038 /nfs/dbraw/zinc/86/80/38/344868038.db2.gz MHCYVGQJMGZZEG-UHFFFAOYSA-N 0 0 296.330 3.145 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000053915149 345126297 /nfs/dbraw/zinc/12/62/97/345126297.db2.gz DPQWQTPDEQXCIA-HZPDHXFCSA-N 0 0 299.345 3.293 20 10 CGCDRN CN(C)c1ccc(CNc2cccc(F)n2)cc1F ZINC000058545388 345196999 /nfs/dbraw/zinc/19/69/99/345196999.db2.gz XFFDBUDWSPLDMC-UHFFFAOYSA-N 0 0 263.291 3.038 20 10 CGCDRN CC(C)N(C(=O)[C@H](C)Sc1nccs1)C(C)C ZINC000064661279 345263741 /nfs/dbraw/zinc/26/37/41/345263741.db2.gz LOWSSWVVUCSVDV-JTQLQIEISA-N 0 0 272.439 3.269 20 10 CGCDRN Fc1cccnc1NCc1ccc(N2CCCC2)cc1 ZINC000084483929 345735046 /nfs/dbraw/zinc/73/50/46/345735046.db2.gz FWKDCGNEBIRKNE-UHFFFAOYSA-N 0 0 271.339 3.433 20 10 CGCDRN CCCN(Cc1ccccc1O)c1nc(CC)ns1 ZINC000092686151 345852448 /nfs/dbraw/zinc/85/24/48/345852448.db2.gz BSGIVJDTCLEVAH-UHFFFAOYSA-N 0 0 277.393 3.223 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCOC1 ZINC000093840020 260332034 /nfs/dbraw/zinc/33/20/34/260332034.db2.gz LRAIZSVCEYKJTK-SECBINFHSA-N 0 0 290.190 3.167 20 10 CGCDRN COc1cccc(CNc2cc(C)ccc2OC)c1O ZINC000019914391 368781472 /nfs/dbraw/zinc/78/14/72/368781472.db2.gz ANCXWQUUMRQMRM-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019963020 368790177 /nfs/dbraw/zinc/79/01/77/368790177.db2.gz FTUIQVJNTDZHCI-UHFFFAOYSA-N 0 0 278.179 3.215 20 10 CGCDRN CCN(C(=O)/C=C\c1cncs1)c1ccc(OC)cc1 ZINC000493596886 244195514 /nfs/dbraw/zinc/19/55/14/244195514.db2.gz LMLAEQNLSPNMNQ-HJWRWDBZSA-N 0 0 288.372 3.218 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCc2cc(F)c(F)cc21 ZINC000493699078 244214870 /nfs/dbraw/zinc/21/48/70/244214870.db2.gz VLCGOJMVZIMIAN-OWOJBTEDSA-N 0 0 292.310 3.024 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)nc1 ZINC000493866425 244247084 /nfs/dbraw/zinc/24/70/84/244247084.db2.gz ADCQMURAURWJJM-VMPITWQZSA-N 0 0 287.750 3.115 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287119407 371605860 /nfs/dbraw/zinc/60/58/60/371605860.db2.gz RCAGDMIJUHLBGQ-GHMZBOCLSA-N 0 0 296.392 3.094 20 10 CGCDRN C[C@H](NCc1cc(Br)ccc1O)C(F)(F)F ZINC000288525640 371739405 /nfs/dbraw/zinc/73/94/05/371739405.db2.gz VDXLPTOUAPHJSP-LURJTMIESA-N 0 0 298.102 3.195 20 10 CGCDRN CS[C@@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293628686 372429782 /nfs/dbraw/zinc/42/97/82/372429782.db2.gz NAJBLOMEMNNKEP-ZETCQYMHSA-N 0 0 263.765 3.026 20 10 CGCDRN CCc1cc(NCc2cc(Cl)c(F)cc2O)n(C)n1 ZINC000293642187 372434558 /nfs/dbraw/zinc/43/45/58/372434558.db2.gz OBQHTYKPDWUTLX-UHFFFAOYSA-N 0 0 283.734 3.093 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294071224 372572715 /nfs/dbraw/zinc/57/27/15/372572715.db2.gz QMBCDIWGSUAFPU-JKSUJKDBSA-N 0 0 293.794 3.189 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168863394 372620962 /nfs/dbraw/zinc/62/09/62/372620962.db2.gz UQVSOAPQGXMROY-MNOVXSKESA-N 0 0 269.410 3.193 20 10 CGCDRN COc1cc(C)cc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296278834 373077924 /nfs/dbraw/zinc/07/79/24/373077924.db2.gz CDNXXTRPFWRFRI-INIZCTEOSA-N 0 0 283.371 3.486 20 10 CGCDRN Cc1cc(C)cc([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296261792 373072360 /nfs/dbraw/zinc/07/23/60/373072360.db2.gz BSIOMTNYKCYBKS-WMZOPIPTSA-N 0 0 297.398 3.320 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NOCC1CC1 ZINC000297172991 373258586 /nfs/dbraw/zinc/25/85/86/373258586.db2.gz BDJVXSZTOOULKU-UHFFFAOYSA-N 0 0 292.379 3.046 20 10 CGCDRN CCc1noc(C)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297175195 373259079 /nfs/dbraw/zinc/25/90/79/373259079.db2.gz DQOZNFYLTOADBW-CQSZACIVSA-N 0 0 272.348 3.028 20 10 CGCDRN CC1(C)CCC[C@H](C(=O)NCc2ccc(N)cc2)C1 ZINC000297178991 373259107 /nfs/dbraw/zinc/25/91/07/373259107.db2.gz KXVASAPAYSXRFU-ZDUSSCGKSA-N 0 0 260.381 3.101 20 10 CGCDRN Nc1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000297231928 373260658 /nfs/dbraw/zinc/26/06/58/373260658.db2.gz OYQFKPSSSNYGRA-UHFFFAOYSA-N 0 0 294.398 3.397 20 10 CGCDRN CC[C@@H](C(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000297237605 373261319 /nfs/dbraw/zinc/26/13/19/373261319.db2.gz PLAMDARJPYCRTN-QGZVFWFLSA-N 0 0 298.386 3.087 20 10 CGCDRN Clc1cncc(NCCCSc2nccs2)n1 ZINC000301796138 373805329 /nfs/dbraw/zinc/80/53/29/373805329.db2.gz SZDYHEXYAUDDLB-UHFFFAOYSA-N 0 0 286.813 3.181 20 10 CGCDRN CCOC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180258260 373985509 /nfs/dbraw/zinc/98/55/09/373985509.db2.gz CWWXIJJAGTZCNN-LBPRGKRZSA-N 0 0 283.799 3.294 20 10 CGCDRN CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000182904039 374340936 /nfs/dbraw/zinc/34/09/36/374340936.db2.gz IBRLUJANFIDXRZ-UONOGXRCSA-N 0 0 276.424 3.393 20 10 CGCDRN CCC[C@@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000185766805 374731592 /nfs/dbraw/zinc/73/15/92/374731592.db2.gz REGHNXFTNFNHDF-INIZCTEOSA-N 0 0 277.364 3.140 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]1C ZINC000472230535 375011606 /nfs/dbraw/zinc/01/16/06/375011606.db2.gz PCLCCJUBKFGYTC-GFCCVEGCSA-N 0 0 285.391 3.181 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000187695132 375075767 /nfs/dbraw/zinc/07/57/67/375075767.db2.gz GVINZQNZUVNTOJ-QMTHXVAHSA-N 0 0 299.361 3.262 20 10 CGCDRN CCOC1CC(CC[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000187978508 375129775 /nfs/dbraw/zinc/12/97/75/375129775.db2.gz UMSKANZQQXWRCH-UHFFFAOYSA-N 0 0 283.799 3.340 20 10 CGCDRN CCOC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000188002963 375136603 /nfs/dbraw/zinc/13/66/03/375136603.db2.gz YWXHPOJJFMTKCX-ZDUSSCGKSA-N 0 0 271.788 3.196 20 10 CGCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000189907001 375459016 /nfs/dbraw/zinc/45/90/16/375459016.db2.gz VMNMZJOCUCEPCT-TZMCWYRMSA-N 0 0 297.354 3.116 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C/C1CC1 ZINC000492683098 375449784 /nfs/dbraw/zinc/44/97/84/375449784.db2.gz VHZAHXVFGKMLFC-MDZDMXLPSA-N 0 0 268.360 3.069 20 10 CGCDRN C[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192866873 375795570 /nfs/dbraw/zinc/79/55/70/375795570.db2.gz SDIXGEGARDYZAY-YUMQZZPRSA-N 0 0 278.179 3.121 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528855286 375912173 /nfs/dbraw/zinc/91/21/73/375912173.db2.gz QNSQDPROTGKZFP-HOTGVXAUSA-N 0 0 299.345 3.341 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCC12CC2 ZINC000529511408 375927029 /nfs/dbraw/zinc/92/70/29/375927029.db2.gz IVWLLFDFMUYFNG-GFCCVEGCSA-N 0 0 279.767 3.242 20 10 CGCDRN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000529667864 375933452 /nfs/dbraw/zinc/93/34/52/375933452.db2.gz BGGSPDSSQONQKG-OCCSQVGLSA-N 0 0 269.772 3.091 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cccs1 ZINC000338928654 376580304 /nfs/dbraw/zinc/58/03/04/376580304.db2.gz XMFBEYZBLXOOKR-UHFFFAOYSA-N 0 0 298.411 3.407 20 10 CGCDRN CCCO[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000272246353 378594557 /nfs/dbraw/zinc/59/45/57/378594557.db2.gz HMDPSHDUWCOOAV-CQSZACIVSA-N 0 0 281.371 3.312 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)cc2)c1 ZINC000273364909 378742226 /nfs/dbraw/zinc/74/22/26/378742226.db2.gz DXSQUZWOTHSVKQ-ZDUSSCGKSA-N 0 0 299.370 3.338 20 10 CGCDRN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000273459231 378748666 /nfs/dbraw/zinc/74/86/66/378748666.db2.gz HSHYXEIULNGATC-GHJWDPDVSA-N 0 0 281.371 3.386 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375300733 379489555 /nfs/dbraw/zinc/48/95/55/379489555.db2.gz CJCMBSHIEFUAQD-HNNXBMFYSA-N 0 0 299.773 3.187 20 10 CGCDRN C[C@@]1(c2ccccc2)CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000376194487 379528644 /nfs/dbraw/zinc/52/86/44/379528644.db2.gz IQOVJUGWYSZBBC-LJQANCHMSA-N 0 0 294.398 3.002 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCO1 ZINC000282524360 379937820 /nfs/dbraw/zinc/93/78/20/379937820.db2.gz PUHNJVPSMJWFNK-OAHLLOKOSA-N 0 0 291.391 3.090 20 10 CGCDRN CCCCN(Cc1csnn1)Cc1ccccc1O ZINC000283090575 380032645 /nfs/dbraw/zinc/03/26/45/380032645.db2.gz SCDYXWWHMBAHAW-UHFFFAOYSA-N 0 0 277.393 3.046 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@H]1CCCC(F)(F)C1 ZINC000283414829 380061306 /nfs/dbraw/zinc/06/13/06/380061306.db2.gz GFZBXHLPFLZGBK-NSHDSACASA-N 0 0 298.333 3.017 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000286182042 380171256 /nfs/dbraw/zinc/17/12/56/380171256.db2.gz QJYNHKBLCWXHOF-QPUJVOFHSA-N 0 0 295.383 3.493 20 10 CGCDRN CC[C@H]([NH2+]Cc1nccs1)c1ccc(F)cc1[O-] ZINC000285982861 380154349 /nfs/dbraw/zinc/15/43/49/380154349.db2.gz HTCBWRVQOACLFG-NSHDSACASA-N 0 0 266.341 3.229 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000286045098 380158301 /nfs/dbraw/zinc/15/83/01/380158301.db2.gz JYYRYGCHYAAPEB-PWSUYJOCSA-N 0 0 255.358 3.078 20 10 CGCDRN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1O ZINC000282175431 392284535 /nfs/dbraw/zinc/28/45/35/392284535.db2.gz FFZHHQXVAQGNLZ-GXFFZTMASA-N 0 0 299.798 3.054 20 10 CGCDRN COc1cc(Cl)cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1O ZINC000282175430 392284596 /nfs/dbraw/zinc/28/45/96/392284596.db2.gz FFZHHQXVAQGNLZ-GWCFXTLKSA-N 0 0 299.798 3.054 20 10 CGCDRN CC(C)(C)c1ncc(C[NH2+]Cc2ccccc2O)s1 ZINC000134235596 392466675 /nfs/dbraw/zinc/46/66/75/392466675.db2.gz JVKOTUBDIGFKGM-UHFFFAOYSA-N 0 0 276.405 3.436 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287587645 392401519 /nfs/dbraw/zinc/40/15/19/392401519.db2.gz HTIFYUZCYDODEN-ZWNOBZJWSA-N 0 0 269.772 3.123 20 10 CGCDRN CN(C)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158087308 392554825 /nfs/dbraw/zinc/55/48/25/392554825.db2.gz ILPGFOABYDBKOT-UHFFFAOYSA-N 0 0 290.794 3.401 20 10 CGCDRN CCN(CC)c1ccc(CNc2nnc(C)s2)cc1F ZINC000301336169 392587198 /nfs/dbraw/zinc/58/71/98/392587198.db2.gz DEAZOPYHAYFSHF-UHFFFAOYSA-N 0 0 294.399 3.444 20 10 CGCDRN CC[C@@H](SC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178511423 392680241 /nfs/dbraw/zinc/68/02/41/392680241.db2.gz YKTMYCPFLXAEHA-OAHLLOKOSA-N 0 0 292.448 3.045 20 10 CGCDRN CCC(CC)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172690880 392621473 /nfs/dbraw/zinc/62/14/73/392621473.db2.gz NZNGCAOWJDBGEA-UHFFFAOYSA-N 0 0 287.407 3.051 20 10 CGCDRN CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000179482797 392701913 /nfs/dbraw/zinc/70/19/13/392701913.db2.gz WVFAZRJKNNHKBS-CMPLNLGQSA-N 0 0 291.391 3.445 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@@H]1C ZINC000346277051 393081999 /nfs/dbraw/zinc/08/19/99/393081999.db2.gz UXVGYNXTAPVENN-SMDDNHRTSA-N 0 0 285.391 3.084 20 10 CGCDRN CN(C)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1 ZINC000248094445 393083557 /nfs/dbraw/zinc/08/35/57/393083557.db2.gz GHBVOLZOIOBHOC-UHFFFAOYSA-N 0 0 296.296 3.174 20 10 CGCDRN CS[C@@H](C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000348672230 393127732 /nfs/dbraw/zinc/12/77/32/393127732.db2.gz ZVQCSULNVSTEKB-NSHDSACASA-N 0 0 290.432 3.245 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000734510504 572662169 /nfs/dbraw/zinc/66/21/69/572662169.db2.gz QMEIDPSPHAOKSU-JTQLQIEISA-N 0 0 266.341 3.072 20 10 CGCDRN CC(C)C[C@H](C)OCCC(=O)Nc1ccc(N)cc1 ZINC000019396067 170783045 /nfs/dbraw/zinc/78/30/45/170783045.db2.gz BENMOBXXFFJZBW-LBPRGKRZSA-N 0 0 264.369 3.049 20 10 CGCDRN CCC[NH+](CCC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037322710 173123533 /nfs/dbraw/zinc/12/35/33/173123533.db2.gz ZRUWUCSMXJXXTH-UHFFFAOYSA-N 0 0 267.344 3.356 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000037328732 173129443 /nfs/dbraw/zinc/12/94/43/173129443.db2.gz IDYBBAFYRDOUHI-VIFPVBQESA-N 0 0 281.783 3.479 20 10 CGCDRN CCCNc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000041863542 260185302 /nfs/dbraw/zinc/18/53/02/260185302.db2.gz IDHMQFLRMSCEHB-UHFFFAOYSA-N 0 0 250.323 3.043 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1CCC(F)(F)CC1 ZINC000129609824 260389116 /nfs/dbraw/zinc/38/91/16/260389116.db2.gz GLYVFYCZDLGSOD-UHFFFAOYSA-N 0 0 283.318 3.176 20 10 CGCDRN COC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164098409 261340065 /nfs/dbraw/zinc/34/00/65/261340065.db2.gz XMLKEHPDGVLBOE-SSDOTTSWSA-N 0 0 259.396 3.094 20 10 CGCDRN Cc1noc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000164091709 261340389 /nfs/dbraw/zinc/34/03/89/261340389.db2.gz DSFWKIBVYKPMSG-UHFFFAOYSA-N 0 0 269.395 3.424 20 10 CGCDRN CC(C)(C)c1cnc(SCC[C@@H]2CCOC2=O)s1 ZINC000164124138 261340728 /nfs/dbraw/zinc/34/07/28/261340728.db2.gz QMLAYHAZSRSQOQ-VIFPVBQESA-N 0 0 285.434 3.486 20 10 CGCDRN CCONC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000166575269 261391676 /nfs/dbraw/zinc/39/16/76/261391676.db2.gz AKBWYCQPNBOSEL-UHFFFAOYSA-N 0 0 292.379 3.188 20 10 CGCDRN CC(C)C[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000185049137 262039181 /nfs/dbraw/zinc/03/91/81/262039181.db2.gz WXCWPHKTWIZHKD-ZDUSSCGKSA-N 0 0 262.397 3.051 20 10 CGCDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1O ZINC000185300706 262049035 /nfs/dbraw/zinc/04/90/35/262049035.db2.gz ZRBQUPVVQZAOMQ-SNVBAGLBSA-N 0 0 291.322 3.096 20 10 CGCDRN C[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185500541 262056729 /nfs/dbraw/zinc/05/67/29/262056729.db2.gz RZXGLAQKDVRDPB-SFYZADRCSA-N 0 0 278.179 3.121 20 10 CGCDRN CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185620831 262062957 /nfs/dbraw/zinc/06/29/57/262062957.db2.gz FJYJMEFRTBJSQY-GFCCVEGCSA-N 0 0 283.387 3.371 20 10 CGCDRN COCCc1ccccc1NCc1cccc(OC)c1O ZINC000188955003 264259499 /nfs/dbraw/zinc/25/94/99/264259499.db2.gz QDCVXQXYGKFSPN-UHFFFAOYSA-N 0 0 287.359 3.202 20 10 CGCDRN CCOC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000189353686 264293089 /nfs/dbraw/zinc/29/30/89/264293089.db2.gz QZCPACVRAQYNMZ-FZMZJTMJSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@H]([NH2+]CCc1cn[nH]c1)c1cccc(Cl)c1[O-] ZINC000289585620 288042639 /nfs/dbraw/zinc/04/26/39/288042639.db2.gz BSXJVJMYARZJLO-ZDUSSCGKSA-N 0 0 279.771 3.052 20 10 CGCDRN Nc1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000269136603 279698818 /nfs/dbraw/zinc/69/88/18/279698818.db2.gz RMEHNEYQDNIMSF-SJLPKXTDSA-N 0 0 278.355 3.111 20 10 CGCDRN C[C@H]([NH2+]CCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273593407 289949995 /nfs/dbraw/zinc/94/99/95/289949995.db2.gz PWIXTVTZEFFFLC-QMMMGPOBSA-N 0 0 292.257 3.294 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185414014 327839784 /nfs/dbraw/zinc/83/97/84/327839784.db2.gz MCRNOCNFWQBLFL-ZETCQYMHSA-N 0 0 278.179 3.121 20 10 CGCDRN CSc1cccc(N(C)C(=O)/C=C/c2cccnc2)c1 ZINC000101834162 328378604 /nfs/dbraw/zinc/37/86/04/328378604.db2.gz ALPNIXCDMMUWMA-CMDGGOBGSA-N 0 0 284.384 3.480 20 10 CGCDRN C[C@H]1CN(Cc2ccccc2O)c2ccccc2N(C)C1=O ZINC000377889923 329033768 /nfs/dbraw/zinc/03/37/68/329033768.db2.gz QYFJBWRBQAMMQS-ZDUSSCGKSA-N 0 0 296.370 3.011 20 10 CGCDRN C[C@H]1c2cccn2CCN1Cc1cccc(Cl)c1[O-] ZINC000183512641 329248202 /nfs/dbraw/zinc/24/82/02/329248202.db2.gz DJFPOXGGTYNKEU-NSHDSACASA-N 0 0 276.767 3.424 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)C ZINC000471227283 331504182 /nfs/dbraw/zinc/50/41/82/331504182.db2.gz QIJGIWUWPYRLBZ-UHFFFAOYSA-N 0 0 258.365 3.149 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000529667833 333504871 /nfs/dbraw/zinc/50/48/71/333504871.db2.gz ABWKBRYYQHGIJG-FJBRNLEUSA-N 0 0 287.762 3.086 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccccc2F)c1 ZINC000263635310 334673171 /nfs/dbraw/zinc/67/31/71/334673171.db2.gz QILHDGGCPCLKES-FPLPWBNLSA-N 0 0 270.307 3.205 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3ccon3)cc12 ZINC000421194279 500949651 /nfs/dbraw/zinc/94/96/51/500949651.db2.gz GUKOTYRWEVTUTF-UHFFFAOYSA-N 0 0 256.305 3.362 20 10 CGCDRN COC(=O)c1cnc(S[C@H]2C=CCCC2)s1 ZINC000295400381 534307892 /nfs/dbraw/zinc/30/78/92/534307892.db2.gz WCQLCEAWLXEPCI-QMMMGPOBSA-N 0 0 255.364 3.131 20 10 CGCDRN CCOCc1cc(CN[C@@H](C)C(F)(F)F)ccc1OC ZINC000288565146 520185380 /nfs/dbraw/zinc/18/53/80/520185380.db2.gz ZFCVGMIFFGVBDG-JTQLQIEISA-N 0 0 291.313 3.272 20 10 CGCDRN CCCCN(CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000078321564 520466615 /nfs/dbraw/zinc/46/66/15/520466615.db2.gz AQWYUVRBVAZFID-UHFFFAOYSA-N 0 0 277.412 3.084 20 10 CGCDRN CCCC[C@@H](CC)C(=O)NCCc1ccc(N)cc1 ZINC000040675677 521017827 /nfs/dbraw/zinc/01/78/27/521017827.db2.gz LOIFFOATSHWWOD-CQSZACIVSA-N 0 0 262.397 3.144 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nnc(CC)o2)cc1 ZINC000264152811 521027643 /nfs/dbraw/zinc/02/76/43/521027643.db2.gz DEXQETMUPZGHQR-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)c3cc[nH]c3)cc2)CC1 ZINC000068447588 521041010 /nfs/dbraw/zinc/04/10/10/521041010.db2.gz ULWNCEYFZLYCTL-UHFFFAOYSA-N 0 0 297.402 3.181 20 10 CGCDRN CCOc1ccc(NCc2cc(C)ccc2O)cc1CO ZINC000071408175 521125575 /nfs/dbraw/zinc/12/55/75/521125575.db2.gz VNKODYUIDFAXFF-UHFFFAOYSA-N 0 0 287.359 3.204 20 10 CGCDRN CCOc1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000042879107 521125856 /nfs/dbraw/zinc/12/58/56/521125856.db2.gz JVGFOYFYLAGYEZ-UHFFFAOYSA-N 0 0 287.315 3.132 20 10 CGCDRN CCCC[C@H](NC(=O)Cc1ccc(N)cc1)C1CCC1 ZINC000236871965 521220877 /nfs/dbraw/zinc/22/08/77/521220877.db2.gz BKLGSOMBDLCUJY-INIZCTEOSA-N 0 0 274.408 3.286 20 10 CGCDRN CCCc1nc(C)c(C(=O)Nc2ccc(N)cc2)s1 ZINC000236937960 521490675 /nfs/dbraw/zinc/49/06/75/521490675.db2.gz NOTKFDNEQUAZIN-UHFFFAOYSA-N 0 0 275.377 3.239 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCS1 ZINC000266510572 521689285 /nfs/dbraw/zinc/68/92/85/521689285.db2.gz HGGJJYXBFKXUIU-AWEZNQCLSA-N 0 0 279.405 3.026 20 10 CGCDRN CCc1noc(C)c1COc1ccc(N(C)C)cc1 ZINC000289362385 522850694 /nfs/dbraw/zinc/85/06/94/522850694.db2.gz IYBKLOKUXZWHMI-UHFFFAOYSA-N 0 0 260.337 3.190 20 10 CGCDRN CC[C@@H](Nc1cnn(CC)c1)c1ccc(C)cc1O ZINC000280193682 522966326 /nfs/dbraw/zinc/96/63/26/522966326.db2.gz SKCQHGUMQDKANU-CQSZACIVSA-N 0 0 259.353 3.480 20 10 CGCDRN COCc1cccc(NCc2cccc(OC)c2O)c1 ZINC000036918206 523076841 /nfs/dbraw/zinc/07/68/41/523076841.db2.gz PHPXSZIGQWHUSN-UHFFFAOYSA-N 0 0 273.332 3.159 20 10 CGCDRN COc1ccc(N(C)CCCOC(C)C)cc1F ZINC000121766508 524350565 /nfs/dbraw/zinc/35/05/65/524350565.db2.gz FEMCZKWOHDTBKI-UHFFFAOYSA-N 0 0 255.333 3.086 20 10 CGCDRN Fc1cccnc1NCCCSc1nccs1 ZINC000301789873 526419462 /nfs/dbraw/zinc/41/94/62/526419462.db2.gz QHIPLVMDTJFLGR-UHFFFAOYSA-N 0 0 269.370 3.272 20 10 CGCDRN Cn1nc(NCc2c(O)cccc2Cl)cc1C1CC1 ZINC000289972700 527556660 /nfs/dbraw/zinc/55/66/60/527556660.db2.gz WFEZFWIPSQEKSM-UHFFFAOYSA-N 0 0 277.755 3.269 20 10 CGCDRN CN(C(=O)/C=C/c1cncs1)c1c(F)cccc1F ZINC000493578069 535938599 /nfs/dbraw/zinc/93/85/99/535938599.db2.gz ADXXYPGVADGKNW-AATRIKPKSA-N 0 0 280.299 3.098 20 10 CGCDRN Cc1ccc(C(=O)OCc2cc(F)ccc2F)c(O)c1O ZINC000727003863 571700815 /nfs/dbraw/zinc/70/08/15/571700815.db2.gz DHSFGPDKQNGTJQ-UHFFFAOYSA-N 0 0 294.253 3.041 20 10 CGCDRN CN(C)c1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1F ZINC000727657947 571760837 /nfs/dbraw/zinc/76/08/37/571760837.db2.gz CPFXFPFHXDULKV-XFXZXTDPSA-N 0 0 290.338 3.234 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CSC(C)C ZINC000727167922 571729298 /nfs/dbraw/zinc/72/92/98/571729298.db2.gz CLSLGNYURHAODE-UHFFFAOYSA-N 0 0 281.421 3.272 20 10 CGCDRN CN(C)c1ccc(/C=C2/N=C(C(C)(C)C)OC2=O)cc1F ZINC000727657946 571760970 /nfs/dbraw/zinc/76/09/70/571760970.db2.gz CPFXFPFHXDULKV-FMIVXFBMSA-N 0 0 290.338 3.234 20 10 CGCDRN CCCCOCCN(C)c1ccc(OCC)cc1 ZINC000740423847 571793148 /nfs/dbraw/zinc/79/31/48/571793148.db2.gz VJAVWQZKPMEFLO-UHFFFAOYSA-N 0 0 251.370 3.338 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000728219986 571795604 /nfs/dbraw/zinc/79/56/04/571795604.db2.gz VEGUXRGLDYHDTQ-XJKSGUPXSA-N 0 0 274.408 3.147 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000729302905 571895647 /nfs/dbraw/zinc/89/56/47/571895647.db2.gz BLONAXWIPQVDIY-HNNXBMFYSA-N 0 0 276.424 3.441 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCC1 ZINC000730555068 572362779 /nfs/dbraw/zinc/36/27/79/572362779.db2.gz QQPVKSYJJUYLTK-UHFFFAOYSA-N 0 0 274.389 3.438 20 10 CGCDRN Cc1cccc([C@@H](C)CNC(=O)NCc2ccccc2O)c1 ZINC000741276157 572375412 /nfs/dbraw/zinc/37/54/12/572375412.db2.gz JYRLPXSRWGKFRK-AWEZNQCLSA-N 0 0 298.386 3.304 20 10 CGCDRN O=C([O-])CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000738575981 572380216 /nfs/dbraw/zinc/38/02/16/572380216.db2.gz PLMPWQWFTAMFSK-UHFFFAOYSA-N 0 0 277.364 3.002 20 10 CGCDRN CCN(CC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000731149578 572396423 /nfs/dbraw/zinc/39/64/23/572396423.db2.gz URHLHRGUYDGHTN-UHFFFAOYSA-N 0 0 291.439 3.425 20 10 CGCDRN c1ccn(-c2ccc(-c3nc(C[C@H]4CCCO4)no3)cc2)c1 ZINC000731796104 572427576 /nfs/dbraw/zinc/42/75/76/572427576.db2.gz RDCYLIYSCXRXBM-OAHLLOKOSA-N 0 0 295.342 3.249 20 10 CGCDRN O=C(Nc1ccc(Br)cc1)C1=CC(=O)CS1 ZINC000731867528 572433558 /nfs/dbraw/zinc/43/35/58/572433558.db2.gz LUOGTDZTLXZHKD-UHFFFAOYSA-N 0 0 298.161 3.469 20 10 CGCDRN CCOc1ccc(N(C)C[C@H]2COc3ccccc3O2)cc1 ZINC000740423790 572441719 /nfs/dbraw/zinc/44/17/19/572441719.db2.gz QVPWFLSENAUCOQ-INIZCTEOSA-N 0 0 299.370 3.362 20 10 CGCDRN C[C@@H](c1ccccc1F)N(C)C(=O)C1=CC(=O)CS1 ZINC000732268022 572455553 /nfs/dbraw/zinc/45/55/53/572455553.db2.gz CHJDTCZVUJARGJ-VIFPVBQESA-N 0 0 279.336 3.426 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCC(F)(F)F ZINC000740873586 572463659 /nfs/dbraw/zinc/46/36/59/572463659.db2.gz NFNJNNVLFQMBRA-UHFFFAOYSA-N 0 0 259.271 3.400 20 10 CGCDRN CCOCCN(CC(C)C)c1ccc(OC)cc1 ZINC000741245911 572489874 /nfs/dbraw/zinc/48/98/74/572489874.db2.gz UBHFIWCDNOATJN-UHFFFAOYSA-N 0 0 251.370 3.194 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccccn1 ZINC000741775383 572525969 /nfs/dbraw/zinc/52/59/69/572525969.db2.gz RGDDMAFLGWHZTR-UHFFFAOYSA-N 0 0 254.333 3.043 20 10 CGCDRN CN(C(=O)/C=C\c1cccnc1)c1ccc2ccccc2n1 ZINC000741931682 572542923 /nfs/dbraw/zinc/54/29/23/572542923.db2.gz MOTZZIOVCBHFPL-FLIBITNWSA-N 0 0 289.338 3.306 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)cc1Cl ZINC000733223789 572544377 /nfs/dbraw/zinc/54/43/77/572544377.db2.gz FZOJNRFBPFEGGX-ALCCZGGFSA-N 0 0 289.766 3.058 20 10 CGCDRN Cn1cc(/C=C\C(=O)N2CCCCCc3ccccc32)cn1 ZINC000742009239 572549654 /nfs/dbraw/zinc/54/96/54/572549654.db2.gz BUGNARDDSPEJMV-KHPPLWFESA-N 0 0 295.386 3.193 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2CCCCCC2)cc1F ZINC000726146854 572564837 /nfs/dbraw/zinc/56/48/37/572564837.db2.gz OJDMGDKTJYGHFG-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCc2ccccc2C1 ZINC000734016099 572624649 /nfs/dbraw/zinc/62/46/49/572624649.db2.gz JYNATTIXAPAMGB-ZDUSSCGKSA-N 0 0 287.384 3.083 20 10 CGCDRN CC(C)(CC(=O)[O-])[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000736311198 572780438 /nfs/dbraw/zinc/78/04/38/572780438.db2.gz LWSSBUACDZLUIB-UHFFFAOYSA-N 0 0 299.370 3.402 20 10 CGCDRN CCCCn1ncc(NC(=O)C2=CC(=O)CS2)c1C ZINC000746301326 572865584 /nfs/dbraw/zinc/86/55/84/572865584.db2.gz LLIBIUOSRNUKTG-UHFFFAOYSA-N 0 0 279.365 3.011 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC23CCCC3)cc1 ZINC000747350277 572926448 /nfs/dbraw/zinc/92/64/48/572926448.db2.gz PFAWUZXQRCDTBV-INIZCTEOSA-N 0 0 286.419 3.291 20 10 CGCDRN CCN(Cc1cnccc1C)c1ccc(OC)c(OC)c1 ZINC000747681740 572940713 /nfs/dbraw/zinc/94/07/13/572940713.db2.gz QJFPXTGOHBMUTA-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN CC(C)(O)CCN1CCCc2cc(OC(F)F)ccc21 ZINC000749836751 573044591 /nfs/dbraw/zinc/04/45/91/573044591.db2.gz QGTABZSDUWFKLM-UHFFFAOYSA-N 0 0 285.334 3.202 20 10 CGCDRN Cc1ccc2c(c1)/C(=C/c1cnn(C3CCC3)c1)C(=O)N2C ZINC000899378966 620688131 /nfs/dbraw/zinc/68/81/31/620688131.db2.gz VWCBTXPNKUYSPT-SXGWCWSVSA-N 0 0 293.370 3.434 20 10 CGCDRN CCCCSCC(=O)NCc1cccc(Cl)c1O ZINC000890758014 617814456 /nfs/dbraw/zinc/81/44/56/617814456.db2.gz PRTWXNATZXAOFR-UHFFFAOYSA-N 0 0 287.812 3.195 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)NC2CCC=CCC2)cc1 ZINC000899805147 620728334 /nfs/dbraw/zinc/72/83/34/620728334.db2.gz PYPQXJRRYJVEPG-UHFFFAOYSA-N 0 0 286.335 3.078 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890759860 617816340 /nfs/dbraw/zinc/81/63/40/617816340.db2.gz SPTHFGWEEAQLNE-IAQYHMDHSA-N 0 0 281.783 3.344 20 10 CGCDRN CC(C)CCCC(=O)NCc1cccc(Cl)c1O ZINC000890761686 617817652 /nfs/dbraw/zinc/81/76/52/617817652.db2.gz VRHOCRJGNNAAEK-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN C/C(=C(\F)C(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000890763688 617820714 /nfs/dbraw/zinc/82/07/14/617820714.db2.gz ZZRVAKJFZNMHNL-XYOKQWHBSA-N 0 0 283.730 3.315 20 10 CGCDRN CCCCc1noc(CSc2nccs2)n1 ZINC000064661838 618142540 /nfs/dbraw/zinc/14/25/40/618142540.db2.gz ZPPWIQZKEOIWSC-UHFFFAOYSA-N 0 0 255.368 3.161 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1(C)C ZINC000779432076 618155504 /nfs/dbraw/zinc/15/55/04/618155504.db2.gz JRYFSVAKFLWTQF-OWYVNGRQSA-N 0 0 283.799 3.195 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121322085 618172133 /nfs/dbraw/zinc/17/21/33/618172133.db2.gz IWIZZIOXGAIRKL-CYBMUJFWSA-N 0 0 294.826 3.106 20 10 CGCDRN CCC[C@H](C(=O)NCc1cc(OC)ccc1O)C(C)C ZINC000158442859 618635887 /nfs/dbraw/zinc/63/58/87/618635887.db2.gz BFOZYRXROCTJCY-AWEZNQCLSA-N 0 0 279.380 3.089 20 10 CGCDRN COc1ccc(N(CCSC)C(C)C)cc1F ZINC000178699122 618674755 /nfs/dbraw/zinc/67/47/55/618674755.db2.gz ADFOLDCMBKYWLX-UHFFFAOYSA-N 0 0 257.374 3.412 20 10 CGCDRN Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000168735718 618735145 /nfs/dbraw/zinc/73/51/45/618735145.db2.gz PRLOCLCRZCNPQM-CYBMUJFWSA-N 0 0 291.370 3.086 20 10 CGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CC=CCC1 ZINC000177830850 618844937 /nfs/dbraw/zinc/84/49/37/618844937.db2.gz FCUXNVGMXGLTIY-LLVKDONJSA-N 0 0 297.449 3.033 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1c(F)cc(F)cc1F ZINC000176772196 618886971 /nfs/dbraw/zinc/88/69/71/618886971.db2.gz VWTLCZNFQUKPFU-UHFFFAOYSA-N 0 0 295.260 3.082 20 10 CGCDRN CCCc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000186853353 619073388 /nfs/dbraw/zinc/07/33/88/619073388.db2.gz JGNOMMVJQXOTBA-FLIBITNWSA-N 0 0 263.387 3.128 20 10 CGCDRN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776257501 619118625 /nfs/dbraw/zinc/11/86/25/619118625.db2.gz YBQWUWNPNCAKJW-RNCFNFMXSA-N 0 0 287.762 3.089 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(F)cc2C)cc1F ZINC000893463318 619183610 /nfs/dbraw/zinc/18/36/10/619183610.db2.gz DSOZLZCSKVWAID-UHFFFAOYSA-N 0 0 278.302 3.313 20 10 CGCDRN CCN(CC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066902837 619195329 /nfs/dbraw/zinc/19/53/29/619195329.db2.gz HLYFNZJOKTVSKQ-UHFFFAOYSA-N 0 0 295.402 3.223 20 10 CGCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000045929098 619253885 /nfs/dbraw/zinc/25/38/85/619253885.db2.gz BPGKEMAVLXGYHX-UHFFFAOYSA-N 0 0 291.372 3.064 20 10 CGCDRN C[C@@H](c1ccco1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893932215 619335341 /nfs/dbraw/zinc/33/53/41/619335341.db2.gz ZGCNLFJQQKOFOB-VIFPVBQESA-N 0 0 267.275 3.456 20 10 CGCDRN CN(Cc1cccnc1Cl)c1ccc2c(c1)OCO2 ZINC000178878276 619425530 /nfs/dbraw/zinc/42/55/30/619425530.db2.gz TYDDKZOOABQHHM-UHFFFAOYSA-N 0 0 276.723 3.100 20 10 CGCDRN O=C1/C(=C/c2ccc(F)c(F)c2)SC(=S)N1C1CC1 ZINC000048402607 619490639 /nfs/dbraw/zinc/49/06/39/619490639.db2.gz QJGDTFUQQKEUBV-WDZFZDKYSA-N 0 0 297.351 3.328 20 10 CGCDRN COc1cc(C)cc(CNc2ccc(SC)cn2)c1O ZINC000894344732 619498668 /nfs/dbraw/zinc/49/86/68/619498668.db2.gz ADQRMJSYQCDPDV-UHFFFAOYSA-N 0 0 290.388 3.438 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000894942103 619685152 /nfs/dbraw/zinc/68/51/52/619685152.db2.gz PHCKTBGKYVWRGQ-HNNXBMFYSA-N 0 0 299.386 3.390 20 10 CGCDRN C[C@H](C1CC1)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895605382 619859563 /nfs/dbraw/zinc/85/95/63/619859563.db2.gz RJFVIAKAKANCCI-MRVPVSSYSA-N 0 0 291.372 3.183 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000895677488 619867731 /nfs/dbraw/zinc/86/77/31/619867731.db2.gz MMLITLGYZLBELX-LLVKDONJSA-N 0 0 299.773 3.376 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](c1ncccn1)C1CC1 ZINC000896598208 620035223 /nfs/dbraw/zinc/03/52/23/620035223.db2.gz FKWPJMDUERBQIY-QGZVFWFLSA-N 0 0 296.418 3.092 20 10 CGCDRN O=C(NCCC1CC=CC1)NCc1cccc(Cl)c1O ZINC000896677808 620046094 /nfs/dbraw/zinc/04/60/94/620046094.db2.gz FBIYNBGPWMLJAV-UHFFFAOYSA-N 0 0 294.782 3.201 20 10 CGCDRN CC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000796680550 620129609 /nfs/dbraw/zinc/12/96/09/620129609.db2.gz AANOLCMMKIQZJE-OCCSQVGLSA-N 0 0 267.344 3.141 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(C)c1C ZINC000192525974 620144004 /nfs/dbraw/zinc/14/40/04/620144004.db2.gz ZSFKNVSSFBWNLA-UHFFFAOYSA-N 0 0 286.375 3.092 20 10 CGCDRN Cc1cccc(O)c1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000897233836 620167204 /nfs/dbraw/zinc/16/72/04/620167204.db2.gz GXMIFUHEWAEGSR-LJQANCHMSA-N 0 0 297.398 3.494 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000797064650 620174435 /nfs/dbraw/zinc/17/44/35/620174435.db2.gz HRVSOGNGQPPUCW-XDTLVQLUSA-N 0 0 269.385 3.324 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897536993 620380249 /nfs/dbraw/zinc/38/02/49/620380249.db2.gz ZZJQAYTUNOGKFS-BXUZGUMPSA-N 0 0 283.799 3.076 20 10 CGCDRN CCC[C@@H](NC(=O)NCc1ccccc1O)c1ccccn1 ZINC000729607460 620402708 /nfs/dbraw/zinc/40/27/08/620402708.db2.gz ZSFYNMFUVXNZCH-OAHLLOKOSA-N 0 0 299.374 3.128 20 10 CGCDRN Cc1cccc(CNc2ccc([C@@H](C)CC(N)=O)cc2)c1O ZINC000897836676 620437815 /nfs/dbraw/zinc/43/78/15/620437815.db2.gz GAZKAXZDYYLRNQ-ZDUSSCGKSA-N 0 0 298.386 3.292 20 10 CGCDRN CC1(C)CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])O1 ZINC000898046256 620463458 /nfs/dbraw/zinc/46/34/58/620463458.db2.gz DBILCQQYWYKLJZ-LLVKDONJSA-N 0 0 285.334 3.108 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1c([O-])cccc1F ZINC000927068642 620569785 /nfs/dbraw/zinc/56/97/85/620569785.db2.gz TZBPFPUYWYMAQR-PLQHRBFRSA-N 0 0 293.382 3.387 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC/C=C\Cl ZINC000899042661 620616959 /nfs/dbraw/zinc/61/69/59/620616959.db2.gz KVRJQCIIHPEFEJ-TWGQIWQCSA-N 0 0 296.798 3.456 20 10 CGCDRN Cc1cc(C(=O)NCC(F)F)c(C)n1-c1ccc(F)cc1 ZINC000073148651 625463329 /nfs/dbraw/zinc/46/33/29/625463329.db2.gz ZPGSUVHJNZCYHK-UHFFFAOYSA-N 0 0 296.292 3.228 20 10 CGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185835921 625463565 /nfs/dbraw/zinc/46/35/65/625463565.db2.gz VJKNOLVADFGLAO-JRPNMDOOSA-N 0 0 293.338 3.287 20 10 CGCDRN C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1cc(F)ccc1O ZINC000903327751 621701811 /nfs/dbraw/zinc/70/18/11/621701811.db2.gz YFOGBQACXZWURW-MEBBXXQBSA-N 0 0 287.338 3.123 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cn(C)cn1)c1cccc(Cl)c1[O-] ZINC000903351997 621709330 /nfs/dbraw/zinc/70/93/30/621709330.db2.gz PUUWDYYDLCCWRJ-CYBMUJFWSA-N 0 0 279.771 3.020 20 10 CGCDRN Oc1cccc(Cl)c1CNc1nnc(C2CCC2)o1 ZINC000905428976 622074558 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COc1cccc(CNc2ncc(Cl)s2)c1O ZINC000765032842 627237396 /nfs/dbraw/zinc/23/73/96/627237396.db2.gz MMBKDQVGEBSFGN-UHFFFAOYSA-N 0 0 270.741 3.123 20 10 CGCDRN Cc1ccc2c(c1)OCCN2Cc1cccc(C)c1O ZINC000765657250 627265963 /nfs/dbraw/zinc/26/59/63/627265963.db2.gz XOJCSVIEDVNXMY-UHFFFAOYSA-N 0 0 269.344 3.408 20 10 CGCDRN O=C(/C=C\c1ccc2[nH]ccc2c1)NCc1ccccc1O ZINC000765866763 627276027 /nfs/dbraw/zinc/27/60/27/627276027.db2.gz HIRHOQBSEBYFGL-VURMDHGXSA-N 0 0 292.338 3.203 20 10 CGCDRN C[C@@H](CN(C)C(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000874591205 634567909 /nfs/dbraw/zinc/56/79/09/634567909.db2.gz FULRYQOEIDLQNO-UPZNUWHASA-N 0 0 291.391 3.252 20 10 CGCDRN C[C@H](CN(C)C(=O)C1=CC(=O)CS1)C(C)(C)C ZINC000874590982 634567924 /nfs/dbraw/zinc/56/79/24/634567924.db2.gz CEFAXATZOWYKAZ-SECBINFHSA-N 0 0 255.383 3.208 20 10 CGCDRN CCOc1ccc(C[N@H+](C)C[C@@H](C)CC)c(O)c1 ZINC000768766346 627497122 /nfs/dbraw/zinc/49/71/22/627497122.db2.gz JLPYNNURNBFPSU-LBPRGKRZSA-N 0 0 251.370 3.269 20 10 CGCDRN Cc1ncc(CN(C)Cc2ccc(N(C)C)c(F)c2)s1 ZINC000768913736 627508625 /nfs/dbraw/zinc/50/86/25/627508625.db2.gz RMGJJRCUTASTFE-UHFFFAOYSA-N 0 0 293.411 3.289 20 10 CGCDRN COc1cccc(O)c1CN(C)Cc1cc(Cl)cn1C ZINC000770303412 627612510 /nfs/dbraw/zinc/61/25/10/627612510.db2.gz GSZMHUOFURBNEP-UHFFFAOYSA-N 0 0 294.782 3.025 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncnc2c1CCC2 ZINC000770467675 627620447 /nfs/dbraw/zinc/62/04/47/627620447.db2.gz FVBUORWANHAEBB-UHFFFAOYSA-N 0 0 283.375 3.088 20 10 CGCDRN CN(Cc1ncc(Cl)s1)Cc1ccccc1O ZINC000770634979 627634157 /nfs/dbraw/zinc/63/41/57/627634157.db2.gz QCPMVGFSUAGBKO-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN C[C@H](NC(=O)CCC1CC1)c1ccc(N(C)C)cc1 ZINC000773002115 627840080 /nfs/dbraw/zinc/84/00/80/627840080.db2.gz XYFNTIFBKSRUMY-LBPRGKRZSA-N 0 0 260.381 3.120 20 10 CGCDRN CCc1cccnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773016434 627842611 /nfs/dbraw/zinc/84/26/11/627842611.db2.gz DAOLCLOEKHRSNL-CYBMUJFWSA-N 0 0 297.402 3.201 20 10 CGCDRN CC/C=C(/C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773012331 627842613 /nfs/dbraw/zinc/84/26/13/627842613.db2.gz UVGXIYNRMBVBNJ-OTAKNEKHSA-N 0 0 260.381 3.286 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H](C)CC(C)(C)C)c1O ZINC000773406834 627881107 /nfs/dbraw/zinc/88/11/07/627881107.db2.gz IQDPZRUUCIQGEN-NSHDSACASA-N 0 0 279.380 3.089 20 10 CGCDRN C[C@H](NC(=O)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773611692 627899801 /nfs/dbraw/zinc/89/98/01/627899801.db2.gz JCVAJJMZUKBHJY-KGLIPLIRSA-N 0 0 289.423 3.255 20 10 CGCDRN CCc1noc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000774483171 627997290 /nfs/dbraw/zinc/99/72/90/627997290.db2.gz NEKITTWIRNJVAE-NWDGAFQWSA-N 0 0 288.395 3.110 20 10 CGCDRN C[C@@H](C1CCCCC1)N(C)C(=O)C1=CC(=O)CS1 ZINC000775093643 628064769 /nfs/dbraw/zinc/06/47/69/628064769.db2.gz IPJLATTVBLENMD-JTQLQIEISA-N 0 0 267.394 3.495 20 10 CGCDRN COc1cccc(O)c1CN(C)Cc1cc(C)ccc1F ZINC000775168213 628069014 /nfs/dbraw/zinc/06/90/14/628069014.db2.gz NKPQSZWJWXGAMM-UHFFFAOYSA-N 0 0 289.350 3.480 20 10 CGCDRN Cc1ccc(O)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775402200 628091815 /nfs/dbraw/zinc/09/18/15/628091815.db2.gz AHUOTHXOYJVVIY-ZDUSSCGKSA-N 0 0 298.386 3.258 20 10 CGCDRN C[C@@H](NC(=O)Nc1nccs1)c1ccc(N(C)C)cc1 ZINC000775420328 628093284 /nfs/dbraw/zinc/09/32/84/628093284.db2.gz LRNAHZZUVIAGOY-SNVBAGLBSA-N 0 0 290.392 3.092 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H](C)O1 ZINC000775661201 628121141 /nfs/dbraw/zinc/12/11/41/628121141.db2.gz KORPMWPBXGMIHP-BXUZGUMPSA-N 0 0 283.799 3.353 20 10 CGCDRN COc1ccc(CN2CCCc3cc(OC)ccc32)nc1 ZINC000775936769 628151299 /nfs/dbraw/zinc/15/12/99/628151299.db2.gz YLGBMTBSJRNCQU-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN C[C@@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776240518 628183785 /nfs/dbraw/zinc/18/37/85/628183785.db2.gz YXLNVQXYMPROCS-HZSPNIEDSA-N 0 0 289.423 3.396 20 10 CGCDRN Cc1ccc([C@@H](NC(=O)c2cccc(O)c2O)C2CC2)cc1 ZINC000776328228 628194211 /nfs/dbraw/zinc/19/42/11/628194211.db2.gz ZYEKYJAYBNUUSW-MRXNPFEDSA-N 0 0 297.354 3.287 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000776473202 628212627 /nfs/dbraw/zinc/21/26/27/628212627.db2.gz HCPYPINDCYAHAZ-SDDRHHMPSA-N 0 0 277.364 3.014 20 10 CGCDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000776646550 628224344 /nfs/dbraw/zinc/22/43/44/628224344.db2.gz YLRXROZNNSFQRR-YPMHNXCESA-N 0 0 277.364 3.187 20 10 CGCDRN CCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1F ZINC000778248371 628337619 /nfs/dbraw/zinc/33/76/19/628337619.db2.gz OGSHSWZWSFUYFZ-YRNVUSSQSA-N 0 0 297.376 3.055 20 10 CGCDRN CCC(CC)[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CCO1 ZINC000778513445 628353523 /nfs/dbraw/zinc/35/35/23/628353523.db2.gz BJWYMBCTCIRJNP-DGCLKSJQSA-N 0 0 297.420 3.167 20 10 CGCDRN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1F ZINC000779147674 628390200 /nfs/dbraw/zinc/39/02/00/628390200.db2.gz AYSOVHJRSGAGNU-BXUZGUMPSA-N 0 0 268.351 3.072 20 10 CGCDRN COC(=O)c1cc(NCc2cccc(C)c2O)ccc1C ZINC000779159067 628391573 /nfs/dbraw/zinc/39/15/73/628391573.db2.gz WFPDLEKBHZEPJN-UHFFFAOYSA-N 0 0 285.343 3.408 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCCOc3ccccc32)c1 ZINC000779450860 628413739 /nfs/dbraw/zinc/41/37/39/628413739.db2.gz FKXMYRFARYSZAZ-FPLPWBNLSA-N 0 0 294.354 3.219 20 10 CGCDRN CCOc1ccc(CNc2cnc3onc(C)c3c2)c(O)c1 ZINC000780395511 628486799 /nfs/dbraw/zinc/48/67/99/628486799.db2.gz NJVITJSFMMDVCR-UHFFFAOYSA-N 0 0 299.330 3.248 20 10 CGCDRN COc1ccc(O)c(CN2CCc3ccc(C)cc32)c1 ZINC000780773304 628516091 /nfs/dbraw/zinc/51/60/91/628516091.db2.gz QZXJHSQGUFMJOF-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN Oc1ccccc1CN1CCCc2ccc(F)cc21 ZINC000780770112 628516281 /nfs/dbraw/zinc/51/62/81/628516281.db2.gz FLNGDGSFHOWSMW-UHFFFAOYSA-N 0 0 257.308 3.484 20 10 CGCDRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000780946709 628525610 /nfs/dbraw/zinc/52/56/10/628525610.db2.gz FMPLANXWZDRJDV-RISCZKNCSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1ccccc1[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874974674 634666174 /nfs/dbraw/zinc/66/61/74/634666174.db2.gz FWRWMQUOFZKXFE-CYBMUJFWSA-N 0 0 296.370 3.487 20 10 CGCDRN COc1cccc(CNc2cnc3c(c2)CCCC3)c1O ZINC000782384582 628643582 /nfs/dbraw/zinc/64/35/82/628643582.db2.gz CABMZMSKFJZBGL-UHFFFAOYSA-N 0 0 284.359 3.287 20 10 CGCDRN O=C(CCCc1ccsc1)NCc1ccccc1O ZINC000783587087 628729867 /nfs/dbraw/zinc/72/98/67/628729867.db2.gz BAIXOEIPKKRDJP-UHFFFAOYSA-N 0 0 275.373 3.093 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1c(Cl)cnn1C ZINC000783665559 628737077 /nfs/dbraw/zinc/73/70/77/628737077.db2.gz XNVPNVZSJWQCNY-UHFFFAOYSA-N 0 0 291.782 3.035 20 10 CGCDRN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000783710920 628742072 /nfs/dbraw/zinc/74/20/72/628742072.db2.gz ZELJEXOHJBFSBU-KWQFWETISA-N 0 0 257.736 3.463 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCC2(CCCC2)C1 ZINC000783935755 628758221 /nfs/dbraw/zinc/75/82/21/628758221.db2.gz UHVFKOVFTVGLBK-UHFFFAOYSA-N 0 0 265.378 3.250 20 10 CGCDRN CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1C ZINC000784666963 628828183 /nfs/dbraw/zinc/82/81/83/628828183.db2.gz CNEXOBMWKOKPHT-TVQRCGJNSA-N 0 0 287.762 3.042 20 10 CGCDRN C[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000785555331 628870834 /nfs/dbraw/zinc/87/08/34/628870834.db2.gz WTHDPDODOQWEIT-DGCLKSJQSA-N 0 0 278.352 3.359 20 10 CGCDRN Cc1nc(N(C)Cc2ccccc2O)cc(C(F)(F)F)n1 ZINC000786796184 628963968 /nfs/dbraw/zinc/96/39/68/628963968.db2.gz AQPKBLYJNFIXQK-UHFFFAOYSA-N 0 0 297.280 3.146 20 10 CGCDRN C[C@@H](Nc1ncncc1Cl)c1ccc(N(C)C)cc1 ZINC000786796898 628964168 /nfs/dbraw/zinc/96/41/68/628964168.db2.gz LZRHUHKPCAMQTR-SNVBAGLBSA-N 0 0 276.771 3.369 20 10 CGCDRN C=C/C(C)=C/CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000788655245 629070576 /nfs/dbraw/zinc/07/05/76/629070576.db2.gz ZBKZFUAASDAQRP-VGOFMYFVSA-N 0 0 284.403 3.208 20 10 CGCDRN CN(C)c1ccc(C[NH2+][C@H](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000789904238 629173292 /nfs/dbraw/zinc/17/32/92/629173292.db2.gz SRGZQUPURLWGCB-CQSZACIVSA-N 0 0 292.423 3.122 20 10 CGCDRN CCCC[C@H](CC)CNC(=O)c1c(F)ccc(O)c1O ZINC000789955151 629176513 /nfs/dbraw/zinc/17/65/13/629176513.db2.gz QTRHBFFCJBFRAO-JTQLQIEISA-N 0 0 283.343 3.183 20 10 CGCDRN O=C(Cc1cccc(C(F)F)c1)NCc1ccccc1O ZINC000790604035 629220039 /nfs/dbraw/zinc/22/00/39/629220039.db2.gz RQFURNQZCKTELB-UHFFFAOYSA-N 0 0 291.297 3.189 20 10 CGCDRN O=C(Cc1ccc(Cl)c(F)c1)NCc1ccccc1O ZINC000790604833 629220482 /nfs/dbraw/zinc/22/04/82/629220482.db2.gz XPQKBUXHRPMEDS-UHFFFAOYSA-N 0 0 293.725 3.044 20 10 CGCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]2CCCC[C@@H]12 ZINC000790861893 629238127 /nfs/dbraw/zinc/23/81/27/629238127.db2.gz NOOMNADBZKEVLR-DYEKYZERSA-N 0 0 289.375 3.139 20 10 CGCDRN Cc1cccc(CNc2cccc(N3CCC3=O)c2)c1O ZINC000790942648 629242390 /nfs/dbraw/zinc/24/23/90/629242390.db2.gz ARQXYMDBYKXXSI-UHFFFAOYSA-N 0 0 282.343 3.049 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000790977719 629245244 /nfs/dbraw/zinc/24/52/44/629245244.db2.gz QXFVNTPXKDAHHT-SNVBAGLBSA-N 0 0 299.773 3.376 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(F)c2C)cc1F ZINC000862307194 629343275 /nfs/dbraw/zinc/34/32/75/629343275.db2.gz UTIFIKMDEUYJAW-UHFFFAOYSA-N 0 0 278.302 3.313 20 10 CGCDRN CC(C)[C@H]1CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792173490 629344568 /nfs/dbraw/zinc/34/45/68/629344568.db2.gz ZUUOMSLNUGQMEW-LLVKDONJSA-N 0 0 257.736 3.415 20 10 CGCDRN CC(C)(C)C(F)(F)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875752432 634728223 /nfs/dbraw/zinc/72/82/23/634728223.db2.gz NHGRYIBNPMDJRD-UHFFFAOYSA-N 0 0 298.333 3.099 20 10 CGCDRN CCCN(Cc1cc(F)ccc1O)[C@H](CC)C(=O)OCC ZINC000792189219 629346827 /nfs/dbraw/zinc/34/68/27/629346827.db2.gz RNKYCTHPQOSXJH-CQSZACIVSA-N 0 0 297.370 3.085 20 10 CGCDRN COc1cccc(CN2CCCc3cccc(OC)c32)c1O ZINC000862431234 629370795 /nfs/dbraw/zinc/37/07/95/629370795.db2.gz LAQAYNLHGXEXSG-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN CN(C)c1ccc(CN2Cc3ccc(O)cc3C2)cc1F ZINC000862449514 629380552 /nfs/dbraw/zinc/38/05/52/629380552.db2.gz HLKHOLKNNDVZHP-UHFFFAOYSA-N 0 0 286.350 3.113 20 10 CGCDRN COc1cccc(NCc2c(O)cccc2OC)c1C ZINC000862480949 629384737 /nfs/dbraw/zinc/38/47/37/629384737.db2.gz PPXQYKBTENYOQK-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCc2c(O)cccc2C1 ZINC000862528915 629391529 /nfs/dbraw/zinc/39/15/29/629391529.db2.gz FBHDITBZNVKZGN-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN CN(C)c1ccc(CNCc2cocn2)c(C(F)(F)F)c1 ZINC000792988556 629399999 /nfs/dbraw/zinc/39/99/99/629399999.db2.gz FFXHAGVCAMFXDV-UHFFFAOYSA-N 0 0 299.296 3.049 20 10 CGCDRN Cc1ccc(C(=O)N2CC(C)(C)CCC2(C)C)c(O)c1O ZINC000862587328 629414729 /nfs/dbraw/zinc/41/47/29/629414729.db2.gz MPWFUQVWBUXSGN-UHFFFAOYSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCCC(=O)C(C)(C)C)c1 ZINC000862755489 629429772 /nfs/dbraw/zinc/42/97/72/629429772.db2.gz UAVCMDJKLCKFDO-UHFFFAOYSA-N 0 0 291.391 3.102 20 10 CGCDRN C/C(=C/C(C)(C)C)C(=O)NCc1cc(C)ccc1O ZINC000862757584 629429866 /nfs/dbraw/zinc/42/98/66/629429866.db2.gz ZFMBNSZSCSOUIE-XFXZXTDPSA-N 0 0 261.365 3.309 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(C3CCC3)CCC2)cc1 ZINC000836238204 634736803 /nfs/dbraw/zinc/73/68/03/634736803.db2.gz BHTOUOHPMCSLFE-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN COc1cc(C)sc1C(=O)NCc1cc(C)ccc1O ZINC000862759813 629430568 /nfs/dbraw/zinc/43/05/68/629430568.db2.gz JANDONXGUOOFRN-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)F)cc1 ZINC000836242424 634737810 /nfs/dbraw/zinc/73/78/10/634737810.db2.gz NDBOFMYYJOJDIV-CYBMUJFWSA-N 0 0 295.402 3.080 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H](F)CC1CCCCC1 ZINC000793681903 629495510 /nfs/dbraw/zinc/49/55/10/629495510.db2.gz QKCBUUCWUBGGHX-CQSZACIVSA-N 0 0 279.355 3.317 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H](C)CC(C)(C)C)c(O)c1 ZINC000794378995 629538754 /nfs/dbraw/zinc/53/87/54/629538754.db2.gz ICOZVSZDXCJAMX-NSHDSACASA-N 0 0 279.380 3.089 20 10 CGCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794382055 629538757 /nfs/dbraw/zinc/53/87/57/629538757.db2.gz WSFCKDFJNVOXQC-LLVKDONJSA-N 0 0 279.380 3.089 20 10 CGCDRN Clc1cnc(SCCOC2CCOCC2)s1 ZINC000863348511 629541998 /nfs/dbraw/zinc/54/19/98/629541998.db2.gz YVCFYLGPNNQILP-UHFFFAOYSA-N 0 0 279.814 3.084 20 10 CGCDRN CCOc1ccc(O)c(CNc2ccc(NC)cc2)c1 ZINC000863482361 629588154 /nfs/dbraw/zinc/58/81/54/629588154.db2.gz ZJFSZSXBFXJLMB-UHFFFAOYSA-N 0 0 272.348 3.445 20 10 CGCDRN Cc1cncc(NCc2cc(Br)ccc2O)c1 ZINC000119552543 629616455 /nfs/dbraw/zinc/61/64/55/629616455.db2.gz RZCRONQEVCIRRN-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000795080402 629630098 /nfs/dbraw/zinc/63/00/98/629630098.db2.gz JOLSJKBIKLNGAF-ZJUUUORDSA-N 0 0 299.317 3.013 20 10 CGCDRN COc1ccc(CNc2ncnc3c2CCCCC3)c(O)c1 ZINC000795284073 629656077 /nfs/dbraw/zinc/65/60/77/629656077.db2.gz HOGNNDITQOCCGJ-UHFFFAOYSA-N 0 0 299.374 3.072 20 10 CGCDRN CCC(C)(C)CCNC(=O)NCc1cccc(OC)c1O ZINC000875979895 634760200 /nfs/dbraw/zinc/76/02/00/634760200.db2.gz CKSOOMPOYOCDIJ-UHFFFAOYSA-N 0 0 294.395 3.026 20 10 CGCDRN CC[C@@H](C)N(C)CC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796745960 629824183 /nfs/dbraw/zinc/82/41/83/629824183.db2.gz UJEGUIHKGXAGIN-IUODEOHRSA-N 0 0 282.403 3.302 20 10 CGCDRN CC[C@H]([NH2+]CCN(CC)C1CC1)c1ccc(F)cc1[O-] ZINC000796748330 629824968 /nfs/dbraw/zinc/82/49/68/629824968.db2.gz WOSABIDJUKTZIB-HNNXBMFYSA-N 0 0 280.387 3.056 20 10 CGCDRN CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796758305 629827941 /nfs/dbraw/zinc/82/79/41/629827941.db2.gz FSMAEPZHHRXGMC-GDBMZVCRSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796777414 629831821 /nfs/dbraw/zinc/83/18/21/629831821.db2.gz GCXVNZTUXVXQHU-ZDUSSCGKSA-N 0 0 297.370 3.304 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000120277975 629935611 /nfs/dbraw/zinc/93/56/11/629935611.db2.gz GITSKXIVANLEBS-UHFFFAOYSA-N 0 0 299.157 3.299 20 10 CGCDRN CCc1ccnc(CNC(=S)Nc2ccccc2F)c1 ZINC000797792909 629983865 /nfs/dbraw/zinc/98/38/65/629983865.db2.gz JZGKXTFVXGCZTL-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN C[C@H](NC(=S)NC1CCCCC1)c1ccccc1O ZINC000865269580 630041252 /nfs/dbraw/zinc/04/12/52/630041252.db2.gz RUFWTOVFRWNGCK-NSHDSACASA-N 0 0 278.421 3.250 20 10 CGCDRN CC[C@H](NC(=O)NCc1ccccc1O)C1CCCC1 ZINC000836639796 634787734 /nfs/dbraw/zinc/78/77/34/634787734.db2.gz CQGKLUCIIPFOHN-AWEZNQCLSA-N 0 0 276.380 3.160 20 10 CGCDRN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000839890714 630232944 /nfs/dbraw/zinc/23/29/44/630232944.db2.gz LNEUFDSHCRFANI-MNOVXSKESA-N 0 0 267.394 3.398 20 10 CGCDRN CSCC(C)(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000799989732 630251871 /nfs/dbraw/zinc/25/18/71/630251871.db2.gz VHMNJYRJCKTBQC-GFCCVEGCSA-N 0 0 294.464 3.319 20 10 CGCDRN CCCC[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000800519137 630290884 /nfs/dbraw/zinc/29/08/84/630290884.db2.gz MEGGJYPOIRNQMG-NWDGAFQWSA-N 0 0 279.380 3.404 20 10 CGCDRN CCCC[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000800519136 630291100 /nfs/dbraw/zinc/29/11/00/630291100.db2.gz MEGGJYPOIRNQMG-NEPJUHHUSA-N 0 0 279.380 3.404 20 10 CGCDRN Cc1ccc(O)c(CN2CCCC[C@H]2C(F)F)c1 ZINC000800534319 630291653 /nfs/dbraw/zinc/29/16/53/630291653.db2.gz ZRPMKJOXMZRBPQ-LBPRGKRZSA-N 0 0 255.308 3.320 20 10 CGCDRN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000808710169 630296809 /nfs/dbraw/zinc/29/68/09/630296809.db2.gz ZDQBZYSBMSXTOS-ZJUUUORDSA-N 0 0 271.788 3.164 20 10 CGCDRN C/C=C(\CC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920622 630296821 /nfs/dbraw/zinc/29/68/21/630296821.db2.gz CHJLCIHAOAXJGX-UUINEXAVSA-N 0 0 288.435 3.465 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1(C2CCC2)CCC1 ZINC000836762986 634798561 /nfs/dbraw/zinc/79/85/61/634798561.db2.gz SMTJYEPISZBVIV-UHFFFAOYSA-N 0 0 273.376 3.321 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000801083757 630323790 /nfs/dbraw/zinc/32/37/90/630323790.db2.gz OGUIRLGHNPFVDN-KBPBESRZSA-N 0 0 296.361 3.002 20 10 CGCDRN Cc1cccc(CN2CCc3cc(F)ccc32)c1O ZINC000802657432 630403389 /nfs/dbraw/zinc/40/33/89/630403389.db2.gz DJBIOBDVYZHQNZ-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN Cc1ccc(C(=O)N(C)C(C)(C)c2ccccc2)c(O)c1O ZINC000803619164 630489688 /nfs/dbraw/zinc/48/96/88/630489688.db2.gz RVORXJVSCMPHQF-UHFFFAOYSA-N 0 0 299.370 3.414 20 10 CGCDRN CC[C@H]([NH2+]C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000806131373 630545853 /nfs/dbraw/zinc/54/58/53/630545853.db2.gz JXCOWTFVZMNQIC-ZDUSSCGKSA-N 0 0 269.772 3.265 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000806138517 630547061 /nfs/dbraw/zinc/54/70/61/630547061.db2.gz WUYGAWKRWNCEDR-IAQYHMDHSA-N 0 0 294.826 3.323 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(Cl)c1[O-] ZINC000806147414 630548801 /nfs/dbraw/zinc/54/88/01/630548801.db2.gz XCCOTCHJINDHJO-KBPBESRZSA-N 0 0 283.799 3.247 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000806169593 630553176 /nfs/dbraw/zinc/55/31/76/630553176.db2.gz NXGDOGSGQYIOIS-YGRLFVJLSA-N 0 0 277.364 3.018 20 10 CGCDRN CCc1cc(NC(=O)C2=CC(=O)CS2)ccc1F ZINC000807670618 630596940 /nfs/dbraw/zinc/59/69/40/630596940.db2.gz GTBUUWCODLGTLX-UHFFFAOYSA-N 0 0 265.309 3.408 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCSC1 ZINC000810305861 630868148 /nfs/dbraw/zinc/86/81/48/630868148.db2.gz WAGZGFYCLPRAMC-CQSZACIVSA-N 0 0 293.432 3.274 20 10 CGCDRN CCn1nncc1CSc1ncc(C(C)(C)C)s1 ZINC000840200516 630871281 /nfs/dbraw/zinc/87/12/81/630871281.db2.gz OCCBRFIWARWAIK-UHFFFAOYSA-N 0 0 282.438 3.344 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NOC2CCC2)cc1 ZINC000812787985 631308281 /nfs/dbraw/zinc/30/82/81/631308281.db2.gz LZVONKLIGKNGIE-UHFFFAOYSA-N 0 0 284.359 3.308 20 10 CGCDRN Cc1ccoc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000813790892 631460854 /nfs/dbraw/zinc/46/08/54/631460854.db2.gz IEWCQNDIOBCSAG-UHFFFAOYSA-N 0 0 269.703 3.376 20 10 CGCDRN Cc1ncccc1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000814185611 631541712 /nfs/dbraw/zinc/54/17/12/631541712.db2.gz LINPFOQMKKTWMP-XYOKQWHBSA-N 0 0 290.413 3.144 20 10 CGCDRN Cc1ccsc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000814285309 631566999 /nfs/dbraw/zinc/56/69/99/631566999.db2.gz RKAXHWVATKNPNN-UXBLZVDNSA-N 0 0 281.427 3.420 20 10 CGCDRN Cc1cc(Cn2sc3ccccc3c2=O)ccc1N(C)C ZINC000814752849 631633173 /nfs/dbraw/zinc/63/31/73/631633173.db2.gz GVHUDVABRQVTAG-UHFFFAOYSA-N 0 0 298.411 3.486 20 10 CGCDRN CCC1(CC)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000814904579 631673546 /nfs/dbraw/zinc/67/35/46/631673546.db2.gz PRYCSQGYONRPBA-UHFFFAOYSA-N 0 0 294.351 3.238 20 10 CGCDRN COc1cccc(O)c1CNc1cccc(C2CC2)n1 ZINC000815143822 631728339 /nfs/dbraw/zinc/72/83/39/631728339.db2.gz ODWHEKCUNCJOBO-UHFFFAOYSA-N 0 0 270.332 3.285 20 10 CGCDRN CSCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553821 631793931 /nfs/dbraw/zinc/79/39/31/631793931.db2.gz KWPXBTXHIXPULL-MRVPVSSYSA-N 0 0 279.327 3.425 20 10 CGCDRN COC(C)(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815589284 631802697 /nfs/dbraw/zinc/80/26/97/631802697.db2.gz NXCLIGNHYQAOQR-VIFPVBQESA-N 0 0 291.313 3.487 20 10 CGCDRN COCC1([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815608038 631805649 /nfs/dbraw/zinc/80/56/49/631805649.db2.gz PAFWZUVXMJQYNI-VIFPVBQESA-N 0 0 289.297 3.241 20 10 CGCDRN C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccccc1O ZINC000815632266 631809578 /nfs/dbraw/zinc/80/95/78/631809578.db2.gz IONPAHKMTIIDJK-VIFPVBQESA-N 0 0 289.310 3.195 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2CC(C)(C)C2)c1 ZINC000815835186 631827262 /nfs/dbraw/zinc/82/72/62/631827262.db2.gz MHPWDOYEFILETF-NSHDSACASA-N 0 0 291.391 3.404 20 10 CGCDRN CC(F)(F)c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000815833772 631827637 /nfs/dbraw/zinc/82/76/37/631827637.db2.gz CYKFDRKDDVMCQS-UHFFFAOYSA-N 0 0 291.297 3.434 20 10 CGCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514679 632001166 /nfs/dbraw/zinc/00/11/66/632001166.db2.gz FJGZLCLVDUSYRG-DTWKUNHWSA-N 0 0 257.736 3.415 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000816520689 632002919 /nfs/dbraw/zinc/00/29/19/632002919.db2.gz VPSSOJIKSDLCGT-YGRLFVJLSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccoc1 ZINC000816537651 632005990 /nfs/dbraw/zinc/00/59/90/632005990.db2.gz MGEAZXJHLLNHOF-UHFFFAOYSA-N 0 0 255.676 3.068 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532811 632006172 /nfs/dbraw/zinc/00/61/72/632006172.db2.gz WFYSKOLHXBGIIC-SECBINFHSA-N 0 0 283.730 3.499 20 10 CGCDRN CC[C@H]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000817216908 632095163 /nfs/dbraw/zinc/09/51/63/632095163.db2.gz YRNYHEBPUMRRHQ-DHARYEGOSA-N 0 0 289.375 3.196 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NOCC1CC1 ZINC000817367550 632133161 /nfs/dbraw/zinc/13/31/61/632133161.db2.gz FDAHKCWVGYDVAR-UHFFFAOYSA-N 0 0 290.388 3.227 20 10 CGCDRN CC[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945212 632242280 /nfs/dbraw/zinc/24/22/80/632242280.db2.gz XGGXQGKPIQQCHE-KCJUWKMLSA-N 0 0 289.206 3.102 20 10 CGCDRN CC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945214 632243422 /nfs/dbraw/zinc/24/34/22/632243422.db2.gz XGGXQGKPIQQCHE-LDYMZIIASA-N 0 0 289.206 3.102 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cccc(Cl)c1[O-] ZINC000817950752 632246940 /nfs/dbraw/zinc/24/69/40/632246940.db2.gz YOHOHSJNAUWSER-SMDDNHRTSA-N 0 0 282.815 3.228 20 10 CGCDRN Cc1cc(N)cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000817980133 632270054 /nfs/dbraw/zinc/27/00/54/632270054.db2.gz JBWQOBYKVZRLRV-SNVBAGLBSA-N 0 0 292.329 3.412 20 10 CGCDRN Cc1cc(C)cc(CCC(=O)NCCc2ccc(N)cc2)c1 ZINC000818544885 632332321 /nfs/dbraw/zinc/33/23/21/632332321.db2.gz VZRFRXXJLANXSA-UHFFFAOYSA-N 0 0 296.414 3.177 20 10 CGCDRN CCCOc1ccccc1NC[C@@H](O)CCOC(C)C ZINC000819398739 632451062 /nfs/dbraw/zinc/45/10/62/632451062.db2.gz PQDBRSJRKRQZNF-AWEZNQCLSA-N 0 0 281.396 3.063 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@]2(C)CC=CCC2)cc1 ZINC000822265282 632892135 /nfs/dbraw/zinc/89/21/35/632892135.db2.gz MFHZEIIWFLRRRR-GOSISDBHSA-N 0 0 286.419 3.457 20 10 CGCDRN Oc1ccccc1CNc1cccc2c1OCCCO2 ZINC000865852311 632916271 /nfs/dbraw/zinc/91/62/71/632916271.db2.gz KHSHGCFWBKRULX-UHFFFAOYSA-N 0 0 271.316 3.166 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000822608182 632983296 /nfs/dbraw/zinc/98/32/96/632983296.db2.gz SITJGHVBENXNMI-ZSHCYNCHSA-N 0 0 286.419 3.195 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)SC)cc1 ZINC000822607650 632983851 /nfs/dbraw/zinc/98/38/51/632983851.db2.gz LEWASXZPAYQECB-UHFFFAOYSA-N 0 0 294.464 3.291 20 10 CGCDRN C[C@H]1CC(C)(C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823599069 633125550 /nfs/dbraw/zinc/12/55/50/633125550.db2.gz ABXDMFCRQAODDU-JTQLQIEISA-N 0 0 288.351 3.110 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCC23CC3)c1 ZINC000866411122 633126922 /nfs/dbraw/zinc/12/69/22/633126922.db2.gz CWOCLKKBKVRYKG-ABAIWWIYSA-N 0 0 289.375 3.162 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000867503159 633249005 /nfs/dbraw/zinc/24/90/05/633249005.db2.gz GULHGSFDVBGJAN-SPCAWNFKSA-N 0 0 286.419 3.222 20 10 CGCDRN CC/C=C(/F)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000867503586 633249254 /nfs/dbraw/zinc/24/92/54/633249254.db2.gz MRZWBOJQLFQCHH-REPOHMLUSA-N 0 0 264.344 3.193 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000121790793 633263330 /nfs/dbraw/zinc/26/33/30/633263330.db2.gz CJWJZCRYCLLVKX-UHFFFAOYSA-N 0 0 290.294 3.379 20 10 CGCDRN COc1ccc(C2CC2)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000868045925 633292188 /nfs/dbraw/zinc/29/21/88/633292188.db2.gz MZRQHDLIJNMDSQ-UHFFFAOYSA-N 0 0 296.370 3.336 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000868117786 633297348 /nfs/dbraw/zinc/29/73/48/633297348.db2.gz YSCZOVGIWJFEGK-XQQFMLRXSA-N 0 0 276.380 3.331 20 10 CGCDRN Cc1cccc(CCNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868184582 633302850 /nfs/dbraw/zinc/30/28/50/633302850.db2.gz AYDFUKAARRCABO-AWEZNQCLSA-N 0 0 298.386 3.304 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2CCC=CCC2)c1 ZINC000824904600 633303749 /nfs/dbraw/zinc/30/37/49/633303749.db2.gz SLLNAERZLPFRJK-UHFFFAOYSA-N 0 0 259.349 3.063 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccccc1O ZINC000868396801 633320349 /nfs/dbraw/zinc/32/03/49/633320349.db2.gz OCEKHAABUIIFTG-IAQYHMDHSA-N 0 0 294.420 3.038 20 10 CGCDRN C[C@@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1O ZINC000868430133 633322943 /nfs/dbraw/zinc/32/29/43/633322943.db2.gz CEJBPFBFDPUPAH-GFCCVEGCSA-N 0 0 288.391 3.333 20 10 CGCDRN CN(C)c1ccc(CNCc2cnc(C3CC3)o2)cc1F ZINC000825171930 633333694 /nfs/dbraw/zinc/33/36/94/633333694.db2.gz AMDJSHPXECYOMZ-UHFFFAOYSA-N 0 0 289.354 3.047 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CC12CCCC2)c1ccccc1O ZINC000868540544 633333864 /nfs/dbraw/zinc/33/38/64/633333864.db2.gz JLVKYOJZSLORLR-FZMZJTMJSA-N 0 0 274.364 3.085 20 10 CGCDRN COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000825293963 633342223 /nfs/dbraw/zinc/34/22/23/633342223.db2.gz FXCJSAKZBUDGBR-NSHDSACASA-N 0 0 287.762 3.186 20 10 CGCDRN Cc1cc(O)c(CNc2cccc(CCO)c2)cc1C ZINC000825284372 633342709 /nfs/dbraw/zinc/34/27/09/633342709.db2.gz MDQYPATZRCCAGI-UHFFFAOYSA-N 0 0 271.360 3.156 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]2COC[C@@H]21 ZINC000825331509 633347072 /nfs/dbraw/zinc/34/70/72/633347072.db2.gz IBHJSNBARMBGKP-WCQYABFASA-N 0 0 299.773 3.042 20 10 CGCDRN C[C@H](NC(=O)NC[C@H]1CCCC1(F)F)c1ccccc1O ZINC000868672347 633351010 /nfs/dbraw/zinc/35/10/10/633351010.db2.gz IKZOPURQDRCTMV-WDEREUQCSA-N 0 0 298.333 3.188 20 10 CGCDRN Cc1cc(O)c(CN2CCC=C(F)C2)cc1Cl ZINC000825461844 633356011 /nfs/dbraw/zinc/35/60/11/633356011.db2.gz PTAMMRLCQXQINH-UHFFFAOYSA-N 0 0 255.720 3.413 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CCCC12CC2)c1ccccc1O ZINC000868819762 633366755 /nfs/dbraw/zinc/36/67/55/633366755.db2.gz ZSNLYSSCGYZMIC-OLZOCXBDSA-N 0 0 288.391 3.333 20 10 CGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(OC)ccc1O ZINC000825838678 633383312 /nfs/dbraw/zinc/38/33/12/633383312.db2.gz FFCDERONHFMQHA-DOMZBBRYSA-N 0 0 291.391 3.233 20 10 CGCDRN CC1(C)[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1(F)F ZINC000827516046 633496154 /nfs/dbraw/zinc/49/61/54/633496154.db2.gz UIEBHYJGTRCEBN-SNVBAGLBSA-N 0 0 275.726 3.427 20 10 CGCDRN CC1(C)[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1(F)F ZINC000827516045 633496240 /nfs/dbraw/zinc/49/62/40/633496240.db2.gz UIEBHYJGTRCEBN-JTQLQIEISA-N 0 0 275.726 3.427 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000845383477 636031161 /nfs/dbraw/zinc/03/11/61/636031161.db2.gz XAHPIFOVDXUUDT-UONOGXRCSA-N 0 0 290.407 3.358 20 10 CGCDRN C[C@@H](NC(=O)CCC(C)(F)F)c1ccccc1O ZINC000827930389 633535235 /nfs/dbraw/zinc/53/52/35/633535235.db2.gz IWQWAAVHUJBBEJ-SECBINFHSA-N 0 0 257.280 3.005 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)c1ccsc1)c1ccccc1O ZINC000827937313 633536651 /nfs/dbraw/zinc/53/66/51/633536651.db2.gz RMSUMPKORCZIEM-GHMZBOCLSA-N 0 0 275.373 3.435 20 10 CGCDRN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O ZINC000827960668 633541349 /nfs/dbraw/zinc/54/13/49/633541349.db2.gz USUWANQPNOHLHY-MAZHCROVSA-N 0 0 281.355 3.373 20 10 CGCDRN C[C@@H](CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960156 633541396 /nfs/dbraw/zinc/54/13/96/633541396.db2.gz KHXPNOHBSUEGKW-IUCAKERBSA-N 0 0 275.270 3.158 20 10 CGCDRN CSCCCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827973002 633542746 /nfs/dbraw/zinc/54/27/46/633542746.db2.gz GBLBVEQOZPWPMR-NSHDSACASA-N 0 0 267.394 3.103 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1O ZINC000827969497 633542813 /nfs/dbraw/zinc/54/28/13/633542813.db2.gz NNMFLEJBKGCKJC-QWHCGFSZSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1O ZINC000827973798 633543683 /nfs/dbraw/zinc/54/36/83/633543683.db2.gz YLQDOXBGQNVEPG-JTQLQIEISA-N 0 0 283.318 3.395 20 10 CGCDRN CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827973749 633543728 /nfs/dbraw/zinc/54/37/28/633543728.db2.gz XNNAZPYBZCSSGH-STQMWFEESA-N 0 0 291.391 3.355 20 10 CGCDRN COCCN(CC1=CCCC1)c1ccc(OC)c(OC)c1 ZINC000828071907 633556862 /nfs/dbraw/zinc/55/68/62/633556862.db2.gz YRJFNGBLMNWMGY-UHFFFAOYSA-N 0 0 291.391 3.267 20 10 CGCDRN COc1ccc(CC(=O)N[C@H](C)c2ccccc2O)c(C)c1 ZINC000828540030 633626714 /nfs/dbraw/zinc/62/67/14/633626714.db2.gz YIWSWLMFTVSODK-CYBMUJFWSA-N 0 0 299.370 3.129 20 10 CGCDRN CCc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000828861360 633662788 /nfs/dbraw/zinc/66/27/88/633662788.db2.gz OLOIKWOMIMJCDW-ZDUSSCGKSA-N 0 0 297.402 3.201 20 10 CGCDRN CC(C)(C)[C@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000828948418 633671627 /nfs/dbraw/zinc/67/16/27/633671627.db2.gz FVRRPOCVJIZESX-VIFPVBQESA-N 0 0 281.299 3.161 20 10 CGCDRN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1cccs1 ZINC000871203073 633723403 /nfs/dbraw/zinc/72/34/03/633723403.db2.gz RJBXSUMKWLCDES-SNVBAGLBSA-N 0 0 273.357 3.100 20 10 CGCDRN C[C@H](CC1CCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202735 633723617 /nfs/dbraw/zinc/72/36/17/633723617.db2.gz NABLHEMLJUUCKD-GFCCVEGCSA-N 0 0 273.376 3.451 20 10 CGCDRN O=C(N1Cc2cccc(O)c2C1)C1(Cc2ccccc2)CC1 ZINC000871203016 633723780 /nfs/dbraw/zinc/72/37/80/633723780.db2.gz JZICIFCWMPKOPB-UHFFFAOYSA-N 0 0 293.366 3.257 20 10 CGCDRN CCC[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000871204524 633724350 /nfs/dbraw/zinc/72/43/50/633724350.db2.gz FHHCEVFPGKUPQT-CQSZACIVSA-N 0 0 296.370 3.213 20 10 CGCDRN C[C@H]1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204138 633724452 /nfs/dbraw/zinc/72/44/52/633724452.db2.gz DFOQRGTUELHWQL-AAEUAGOBSA-N 0 0 259.349 3.061 20 10 CGCDRN CCC[C@H]1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205208 633725645 /nfs/dbraw/zinc/72/56/45/633725645.db2.gz ROHRNQGNOAGJOS-GXTWGEPZSA-N 0 0 273.376 3.451 20 10 CGCDRN O=C([C@@H]1C[C@H]1c1ccsc1)N1Cc2cccc(O)c2C1 ZINC000871208008 633726333 /nfs/dbraw/zinc/72/63/33/633726333.db2.gz XDLSWCKKUMTEIP-QWHCGFSZSA-N 0 0 285.368 3.100 20 10 CGCDRN COc1cccc(CNC(=O)c2cccc(C(C)C)c2)c1O ZINC000830540161 633869935 /nfs/dbraw/zinc/86/99/35/633869935.db2.gz FYJFEJFSYHYENG-UHFFFAOYSA-N 0 0 299.370 3.454 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])cc1C ZINC000871877180 633907381 /nfs/dbraw/zinc/90/73/81/633907381.db2.gz ABPRZXAYUPXQFI-HNNXBMFYSA-N 0 0 293.407 3.373 20 10 CGCDRN Nc1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000019279367 633920498 /nfs/dbraw/zinc/92/04/98/633920498.db2.gz LBJZYTSYKUKNOG-UHFFFAOYSA-N 0 0 260.724 3.103 20 10 CGCDRN COc1ccc(N(Cc2cnoc2C)CC2CC2)cc1 ZINC000831587848 633980112 /nfs/dbraw/zinc/98/01/12/633980112.db2.gz NNLSRWHRFBCNTE-UHFFFAOYSA-N 0 0 272.348 3.408 20 10 CGCDRN COc1ccc(N(Cc2cn(C)nc2C)CC2CC2)cc1 ZINC000831594580 633981339 /nfs/dbraw/zinc/98/13/39/633981339.db2.gz WEGTXWWQJXEQDY-UHFFFAOYSA-N 0 0 285.391 3.154 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(F)cc1[O-] ZINC000872108538 634031355 /nfs/dbraw/zinc/03/13/55/634031355.db2.gz AEHDCMICCYHNJX-DZJQYVJYSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(F)cc1[O-] ZINC000872108543 634031837 /nfs/dbraw/zinc/03/18/37/634031837.db2.gz AEHDCMICCYHNJX-XALPAYFRSA-N 0 0 279.355 3.140 20 10 CGCDRN CCn1ncc(N[C@@H](C)c2cccc(OC)c2O)c1C ZINC000872139806 634063202 /nfs/dbraw/zinc/06/32/02/634063202.db2.gz QKCSXMVFTQPVDM-JTQLQIEISA-N 0 0 275.352 3.099 20 10 CGCDRN O=C(NC[C@H]1CCCCC1(F)F)C1=CC(=O)CS1 ZINC000833379384 634119411 /nfs/dbraw/zinc/11/94/11/634119411.db2.gz NZNSEDCIDLMMPA-MRVPVSSYSA-N 0 0 275.320 3.009 20 10 CGCDRN CCC(C)(C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000834554631 634182057 /nfs/dbraw/zinc/18/20/57/634182057.db2.gz DTIVLLMWHOOVSV-JTQLQIEISA-N 0 0 266.341 3.215 20 10 CGCDRN CC(C)(C)n1cc(N[C@@H]2CCc3cccc(O)c32)cn1 ZINC000834733450 634231979 /nfs/dbraw/zinc/23/19/79/634231979.db2.gz IZEIGLYAVIPWNA-CYBMUJFWSA-N 0 0 271.364 3.443 20 10 CGCDRN Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000124374615 634241025 /nfs/dbraw/zinc/24/10/25/634241025.db2.gz PNEBKRZOVASSIK-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN CCc1ncc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])o1 ZINC000834899643 634277058 /nfs/dbraw/zinc/27/70/58/634277058.db2.gz LGFJBWXVQJHKOQ-ZDUSSCGKSA-N 0 0 278.327 3.323 20 10 CGCDRN CCc1ncc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000834901342 634277751 /nfs/dbraw/zinc/27/77/51/634277751.db2.gz ZZPGDYVUINZNTK-MRVPVSSYSA-N 0 0 282.290 3.072 20 10 CGCDRN C[C@H]([NH2+][C@H]1COCC1(C)C)c1cc(Cl)ccc1O ZINC000834903084 634280378 /nfs/dbraw/zinc/28/03/78/634280378.db2.gz IAFJPVPAFJWKMA-ZANVPECISA-N 0 0 269.772 3.121 20 10 CGCDRN C[C@@H](Nc1cccc(CCO)c1)c1cc(F)cc(F)c1O ZINC000834910526 634284163 /nfs/dbraw/zinc/28/41/63/634284163.db2.gz DYPBWIWSMPIXIH-SNVBAGLBSA-N 0 0 293.313 3.378 20 10 CGCDRN Cc1ccc2c(n1)N(C(=O)/C=C\c1cccnc1C)CCC2 ZINC000876487816 634844532 /nfs/dbraw/zinc/84/45/32/634844532.db2.gz XXFWRWHIITVYSV-KTKRTIGZSA-N 0 0 293.370 3.086 20 10 CGCDRN C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(N)cc1 ZINC000837303209 634882216 /nfs/dbraw/zinc/88/22/16/634882216.db2.gz ZFQXOMAIOBHEAO-ZDUSSCGKSA-N 0 0 290.407 3.013 20 10 CGCDRN CSCC[C@@H](C)[N@H+](C)Cc1c(C)cccc1O ZINC000876755204 634893182 /nfs/dbraw/zinc/89/31/82/634893182.db2.gz SYPHWNMFKMUNCN-GFCCVEGCSA-N 0 0 253.411 3.274 20 10 CGCDRN C[C@H](C(=O)NCCCSc1nccs1)C1CCC1 ZINC000837414973 634905807 /nfs/dbraw/zinc/90/58/07/634905807.db2.gz UKBZWSPESGXMBP-JTQLQIEISA-N 0 0 284.450 3.178 20 10 CGCDRN Cc1cccc(O)c1CNc1ccccc1O[C@H]1CCOC1 ZINC000876829479 634910910 /nfs/dbraw/zinc/91/09/10/634910910.db2.gz JUJHEZFKBFEGLY-AWEZNQCLSA-N 0 0 299.370 3.480 20 10 CGCDRN Cc1ccc(CNc2ccccc2O[C@H]2CCOC2)c(O)c1 ZINC000876829719 634911095 /nfs/dbraw/zinc/91/10/95/634911095.db2.gz QDRVWCBGNBIBLZ-HNNXBMFYSA-N 0 0 299.370 3.480 20 10 CGCDRN COc1ccc(O)c(CNC(=O)CCCCC(C)C)c1 ZINC000837483571 634917749 /nfs/dbraw/zinc/91/77/49/634917749.db2.gz CEBGFBIREZHKJG-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN COc1ccc(C)cc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876911059 634926917 /nfs/dbraw/zinc/92/69/17/634926917.db2.gz TYWGGBXETFCGIK-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN Cc1ccc(C[NH2+]CCCOC2CCCC2)c(O)c1 ZINC000876991229 634945680 /nfs/dbraw/zinc/94/56/80/634945680.db2.gz VICUBXZZRAZSNU-UHFFFAOYSA-N 0 0 263.381 3.140 20 10 CGCDRN C[C@H](CCc1cccn1C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877042679 634961620 /nfs/dbraw/zinc/96/16/20/634961620.db2.gz ULODYNOROISJMF-LLVKDONJSA-N 0 0 294.345 3.120 20 10 CGCDRN CN(C(=O)c1ccc2c(c1O)CCCC2)c1ccc(N)cc1 ZINC000877076086 634974011 /nfs/dbraw/zinc/97/40/11/634974011.db2.gz LZYIOMQCPIOWCT-UHFFFAOYSA-N 0 0 296.370 3.130 20 10 CGCDRN Cc1ccccc1OCCCC(=O)N(C)c1ccc(N)cc1 ZINC000877081341 634977182 /nfs/dbraw/zinc/97/71/82/634977182.db2.gz YYNBFPOGXBVPJZ-UHFFFAOYSA-N 0 0 298.386 3.399 20 10 CGCDRN CCO[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC000877083443 634977669 /nfs/dbraw/zinc/97/76/69/634977669.db2.gz NWKYPQVJGUTSRD-ZDUSSCGKSA-N 0 0 287.350 3.211 20 10 CGCDRN Cc1ccc(CNc2ccn(CC(F)(F)F)n2)c(O)c1 ZINC000877165248 635005075 /nfs/dbraw/zinc/00/50/75/635005075.db2.gz ZCQRMOGRPATYAV-UHFFFAOYSA-N 0 0 285.269 3.072 20 10 CGCDRN [O-]c1c(C[NH2+]C23CCC(CC2)C3)ccc(F)c1F ZINC000877308056 635022189 /nfs/dbraw/zinc/02/21/89/635022189.db2.gz CMMMHMHVDDTMIQ-UHFFFAOYSA-N 0 0 253.292 3.093 20 10 CGCDRN CC/C(C)=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840556591 635022771 /nfs/dbraw/zinc/02/27/71/635022771.db2.gz WDARVBBAIFFGEC-NRMKIYEFSA-N 0 0 288.435 3.465 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840822171 635058709 /nfs/dbraw/zinc/05/87/09/635058709.db2.gz UCXRLDMPRUKEQH-GIFSMMMISA-N 0 0 276.336 3.140 20 10 CGCDRN Cc1cccc(O)c1C[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000877519167 635068439 /nfs/dbraw/zinc/06/84/39/635068439.db2.gz XGGURLGFMNBOCQ-CABCVRRESA-N 0 0 277.408 3.216 20 10 CGCDRN COCC1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000840879319 635071793 /nfs/dbraw/zinc/07/17/93/635071793.db2.gz DSIAYRXOAKXHAM-DCBWTQNWSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1csnn1 ZINC000840886188 635073884 /nfs/dbraw/zinc/07/38/84/635073884.db2.gz QYBGWSXPLUKTMB-WEDXCCLWSA-N 0 0 293.367 3.282 20 10 CGCDRN CC[C@H](NCc1ccc(N(C)C)cc1C)C(F)F ZINC000840948566 635089908 /nfs/dbraw/zinc/08/99/08/635089908.db2.gz DZYUXQCMKBIOMO-ZDUSSCGKSA-N 0 0 256.340 3.194 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)ccc(F)c1F ZINC000877564696 635093277 /nfs/dbraw/zinc/09/32/77/635093277.db2.gz JECWAPYWGSNIAU-NSHDSACASA-N 0 0 297.345 3.109 20 10 CGCDRN COC1([C@@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000840969820 635096755 /nfs/dbraw/zinc/09/67/55/635096755.db2.gz LLUPDHUGVRLHPM-SECBINFHSA-N 0 0 287.762 3.232 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CC23CCSCC3)ccc(F)c1F ZINC000877595167 635105682 /nfs/dbraw/zinc/10/56/82/635105682.db2.gz UGWLDGUOZVECTL-LLVKDONJSA-N 0 0 299.386 3.293 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC23CCCC3)ccc(F)c1F ZINC000877609594 635110462 /nfs/dbraw/zinc/11/04/62/635110462.db2.gz MERCMFHDCVUWND-UHFFFAOYSA-N 0 0 253.292 3.189 20 10 CGCDRN COc1cccc(CN2CCCNc3ccccc32)c1O ZINC000841089232 635120076 /nfs/dbraw/zinc/12/00/76/635120076.db2.gz JIBQCPHKZYZAKW-UHFFFAOYSA-N 0 0 284.359 3.223 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(F)cc1 ZINC000104235403 635139436 /nfs/dbraw/zinc/13/94/36/635139436.db2.gz MCFKRFQWUMIDDH-FPYGCLRLSA-N 0 0 288.297 3.426 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000877680830 635142216 /nfs/dbraw/zinc/14/22/16/635142216.db2.gz ANSAXKYNGLVWEM-OUJBWJOFSA-N 0 0 269.772 3.010 20 10 CGCDRN CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000877683666 635144882 /nfs/dbraw/zinc/14/48/82/635144882.db2.gz GZNFCAUHBULKDV-CHWSQXEVSA-N 0 0 283.799 3.075 20 10 CGCDRN C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(N)cc3)C2)C1 ZINC000841296172 635148647 /nfs/dbraw/zinc/14/86/47/635148647.db2.gz POTUWEPUBLKBLC-WBMJQRKESA-N 0 0 273.380 3.313 20 10 CGCDRN Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccc(N)cc1)CC2 ZINC000841295626 635148922 /nfs/dbraw/zinc/14/89/22/635148922.db2.gz CWWILRPTLLTGDF-UHFFFAOYSA-N 0 0 295.386 3.476 20 10 CGCDRN CC[C@@H](NC(=O)Nc1ccc(N)cc1)c1c(C)noc1C ZINC000841298908 635149424 /nfs/dbraw/zinc/14/94/24/635149424.db2.gz UGIPKVQHOXRVCG-CYBMUJFWSA-N 0 0 288.351 3.146 20 10 CGCDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC000877702381 635154022 /nfs/dbraw/zinc/15/40/22/635154022.db2.gz QZMKSKOPPKDMKY-ZDUSSCGKSA-N 0 0 283.799 3.483 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(F)c1)CC2 ZINC000104342354 635179446 /nfs/dbraw/zinc/17/94/46/635179446.db2.gz SBEULVRBPDFQFE-HWKANZROSA-N 0 0 282.318 3.132 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc(C3CC3)cc2)SC1=S ZINC000841495438 635187681 /nfs/dbraw/zinc/18/76/81/635187681.db2.gz IVKVYJKBEVOSHG-XYOKQWHBSA-N 0 0 275.398 3.395 20 10 CGCDRN C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(Cl)cc1[O-] ZINC000841753981 635227208 /nfs/dbraw/zinc/22/72/08/635227208.db2.gz GXZMQBPKEMTGEC-LLVKDONJSA-N 0 0 285.815 3.495 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755789 635230240 /nfs/dbraw/zinc/23/02/40/635230240.db2.gz RXYXUTBAHCUWLE-VXGBXAGGSA-N 0 0 285.815 3.495 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841757323 635231308 /nfs/dbraw/zinc/23/13/08/635231308.db2.gz NHFYAXAGDPEZHM-UHIISALHSA-N 0 0 283.799 3.247 20 10 CGCDRN COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)cc1C ZINC000841793309 635236119 /nfs/dbraw/zinc/23/61/19/635236119.db2.gz CVSNONXHDXZQJZ-HNNXBMFYSA-N 0 0 293.407 3.230 20 10 CGCDRN COc1ccc(C[NH2+]CCc2ccccc2C(=O)[O-])cc1C ZINC000841795155 635236839 /nfs/dbraw/zinc/23/68/39/635236839.db2.gz MGVNLHCNESJCBN-UHFFFAOYSA-N 0 0 299.370 3.034 20 10 CGCDRN C[C@@H]1CCC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958279 635252698 /nfs/dbraw/zinc/25/26/98/635252698.db2.gz XUFQPPVDPJCXPJ-CJNGLKHVSA-N 0 0 289.423 3.031 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000878277579 635442249 /nfs/dbraw/zinc/44/22/49/635442249.db2.gz ULSRACFGSWBHPK-QFBILLFUSA-N 0 0 295.382 3.328 20 10 CGCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000842913588 635511207 /nfs/dbraw/zinc/51/12/07/635511207.db2.gz CHEYGFJCRQWUAB-NHCYSSNCSA-N 0 0 287.350 3.118 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)cc1 ZINC000843159796 635588809 /nfs/dbraw/zinc/58/88/09/635588809.db2.gz ATBOIKPNEDRNJK-JHJVBQTASA-N 0 0 269.348 3.146 20 10 CGCDRN CCc1oc(-c2nc(Cc3ccc(N)cc3)no2)cc1C ZINC000843159260 635588920 /nfs/dbraw/zinc/58/89/20/635588920.db2.gz NWGHVBWDHDPEJA-UHFFFAOYSA-N 0 0 283.331 3.373 20 10 CGCDRN CCC[C@@H](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843158996 635589247 /nfs/dbraw/zinc/58/92/47/635589247.db2.gz KIAWHBBWSXZNTP-LLVKDONJSA-N 0 0 259.353 3.221 20 10 CGCDRN CCN(C)c1ccc(CN2CCC[C@@H]2c2ncccn2)cc1 ZINC000878975332 635668727 /nfs/dbraw/zinc/66/87/27/635668727.db2.gz BFBYTGZBHQVSOC-QGZVFWFLSA-N 0 0 296.418 3.270 20 10 CGCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843434929 635674191 /nfs/dbraw/zinc/67/41/91/635674191.db2.gz OJGLSAODHRPJQL-HQJQHLMTSA-N 0 0 275.776 3.168 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C\C2CCCC2)cc1 ZINC000843520135 635686972 /nfs/dbraw/zinc/68/69/72/635686972.db2.gz UCCURPOXZCOCNA-XFXZXTDPSA-N 0 0 272.392 3.115 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/C1CCCC1 ZINC000843552133 635700447 /nfs/dbraw/zinc/70/04/47/635700447.db2.gz XXDHVHVCZIPKPD-DHZHZOJOSA-N 0 0 286.419 3.424 20 10 CGCDRN CC1=C(C)C[C@H](C(=O)N(C)Cc2ccccc2O)CC1 ZINC000843820347 635784487 /nfs/dbraw/zinc/78/44/87/635784487.db2.gz SEANFMFLZMMPAD-CQSZACIVSA-N 0 0 273.376 3.487 20 10 CGCDRN CCN(Cc1cc2n(n1)CCCC2)c1ccc(OC)cc1 ZINC000844306818 635865276 /nfs/dbraw/zinc/86/52/76/635865276.db2.gz XTMHAYMLNKMASN-UHFFFAOYSA-N 0 0 285.391 3.255 20 10 CGCDRN Nc1ccc(Cc2noc(/C=C\C3CCCC3)n2)cc1 ZINC000844905881 635981325 /nfs/dbraw/zinc/98/13/25/635981325.db2.gz IKUWDAKZCAQZTF-YFHOEESVSA-N 0 0 269.348 3.446 20 10 CGCDRN C[C@@H](NC(=O)C[C@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000881440889 636109638 /nfs/dbraw/zinc/10/96/38/636109638.db2.gz PTMRYJUDQUIVKP-CHWSQXEVSA-N 0 0 291.391 3.165 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(F)nc2C)cc1 ZINC000845997655 636127884 /nfs/dbraw/zinc/12/78/84/636127884.db2.gz BBVCWGJRQSAMAF-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000845998780 636128432 /nfs/dbraw/zinc/12/84/32/636128432.db2.gz PSHRLXSGXRAATN-UHFFFAOYSA-N 0 0 273.380 3.283 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC000846106402 636143939 /nfs/dbraw/zinc/14/39/39/636143939.db2.gz AXSWOWJIJQVTGV-OAHLLOKOSA-N 0 0 297.345 3.412 20 10 CGCDRN COc1cccc([C@H](C)Nc2cnn(CC(F)F)c2)c1O ZINC000846161322 636151141 /nfs/dbraw/zinc/15/11/41/636151141.db2.gz XTUAIRMACVYILH-VIFPVBQESA-N 0 0 297.305 3.036 20 10 CGCDRN COc1cccc([C@H](C)N[C@H]2CCCC2(F)F)c1O ZINC000846172668 636153628 /nfs/dbraw/zinc/15/36/28/636153628.db2.gz OEQHPHXVNKAJPO-CABZTGNLSA-N 0 0 271.307 3.239 20 10 CGCDRN CC[C@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472611 636186976 /nfs/dbraw/zinc/18/69/76/636186976.db2.gz BRTGHTQMSKAXKB-VIFPVBQESA-N 0 0 255.745 3.098 20 10 CGCDRN CC1(C)CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474041 636188082 /nfs/dbraw/zinc/18/80/82/636188082.db2.gz RJERNPFKOUMZIS-JTQLQIEISA-N 0 0 281.783 3.488 20 10 CGCDRN CCC(CC)C(=O)NCc1cc(Cl)ccc1O ZINC000846474052 636188129 /nfs/dbraw/zinc/18/81/29/636188129.db2.gz WWHJWKJLGLAYBW-UHFFFAOYSA-N 0 0 255.745 3.098 20 10 CGCDRN COc1ccc(CNC(=O)[C@@]2(C)CC=C(C)CC2)c(O)c1 ZINC000846948828 636291854 /nfs/dbraw/zinc/29/18/54/636291854.db2.gz CERONBLUKHXQML-KRWDZBQOSA-N 0 0 289.375 3.154 20 10 CGCDRN CCn1nncc1CN(C)c1ccc(-c2nccs2)cc1 ZINC000846990894 636301650 /nfs/dbraw/zinc/30/16/50/636301650.db2.gz CVOCTABOHDRCHF-UHFFFAOYSA-N 0 0 299.403 3.058 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2cccs2)cc1 ZINC000212381439 636349550 /nfs/dbraw/zinc/34/95/50/636349550.db2.gz GWLADNOHEHWNHG-KTKRTIGZSA-N 0 0 286.400 3.144 20 10 CGCDRN COc1ccc(C)cc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882883107 636447501 /nfs/dbraw/zinc/44/75/01/636447501.db2.gz NOFCDEMHKONMDB-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN CC(C)c1c[nH]c(CNCc2ccc3c(c2)CCCN3C)n1 ZINC000882943467 636470134 /nfs/dbraw/zinc/47/01/34/636470134.db2.gz USWZJYUVHABYKO-UHFFFAOYSA-N 0 0 298.434 3.205 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccccc2)cc1 ZINC000213608438 636478791 /nfs/dbraw/zinc/47/87/91/636478791.db2.gz QPBSJEDOQNPJHE-RAXLEYEMSA-N 0 0 280.371 3.082 20 10 CGCDRN COc1ccc(CNC(=O)CCC[Si](C)(C)C)c(O)c1 ZINC000848023993 636522753 /nfs/dbraw/zinc/52/27/53/636522753.db2.gz SHIVLXWKSCDAIL-UHFFFAOYSA-N 0 0 295.455 3.135 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)C(C)C ZINC000848100361 636529029 /nfs/dbraw/zinc/52/90/29/636529029.db2.gz NJIHGWOCCRDRNZ-CRALRDPISA-N 0 0 277.364 3.004 20 10 CGCDRN CC(C)c1c[nH]c(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000883092185 636538437 /nfs/dbraw/zinc/53/84/37/636538437.db2.gz IBRAEJAOVCJAMP-ZDUSSCGKSA-N 0 0 286.423 3.450 20 10 CGCDRN Oc1c(F)cc(F)cc1CNc1cc2c(c[nH+]1)CCC2 ZINC000883131864 636550114 /nfs/dbraw/zinc/55/01/14/636550114.db2.gz WLRIYACKNCPPGL-UHFFFAOYSA-N 0 0 276.286 3.166 20 10 CGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC2(CCCCC2)O1 ZINC000848392404 636566260 /nfs/dbraw/zinc/56/62/60/636566260.db2.gz PNXLOFMWHOHZFY-LLVKDONJSA-N 0 0 295.404 3.018 20 10 CGCDRN Cc1noc(C)c1CN(C)Cc1c(O)cccc1Cl ZINC000131413371 636652654 /nfs/dbraw/zinc/65/26/54/636652654.db2.gz HHIMPLXZOYXVKD-UHFFFAOYSA-N 0 0 280.755 3.282 20 10 CGCDRN Cc1noc([C@@H](C)N(C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000848925758 636696733 /nfs/dbraw/zinc/69/67/33/636696733.db2.gz JMLYUNRDFYHVAI-SECBINFHSA-N 0 0 295.770 3.238 20 10 CGCDRN COc1cc(CNc2nnc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000849345844 636816784 /nfs/dbraw/zinc/81/67/84/636816784.db2.gz LDBLJYPGLJILPI-UHFFFAOYSA-N 0 0 291.351 3.002 20 10 CGCDRN C[C@@H](NCc1cscn1)c1ccc(N(C)C)cc1 ZINC000108941553 636893553 /nfs/dbraw/zinc/89/35/53/636893553.db2.gz YHLIGCVUUPBBAM-LLVKDONJSA-N 0 0 261.394 3.060 20 10 CGCDRN CC(C)Cn1ncnc1CSc1ncc(Cl)s1 ZINC000850000172 636924853 /nfs/dbraw/zinc/92/48/53/636924853.db2.gz LPFBSYAKPBANBF-UHFFFAOYSA-N 0 0 288.829 3.336 20 10 CGCDRN CN(C)c1ccc(CNC(=S)NC2CCCCC2)cc1 ZINC000007371533 637020358 /nfs/dbraw/zinc/02/03/58/637020358.db2.gz KHNIHSNYHBVXGK-UHFFFAOYSA-N 0 0 291.464 3.049 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000850382130 637040660 /nfs/dbraw/zinc/04/06/60/637040660.db2.gz NWTDUJHDMIIUHM-LLVKDONJSA-N 0 0 284.743 3.232 20 10 CGCDRN CCOc1ccc(NCc2cccc(OC)c2O)nc1C ZINC000850411160 637052386 /nfs/dbraw/zinc/05/23/86/637052386.db2.gz PJGBIRXEPKVERO-UHFFFAOYSA-N 0 0 288.347 3.115 20 10 CGCDRN Nc1ccc(NC(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000851633380 637462751 /nfs/dbraw/zinc/46/27/51/637462751.db2.gz IMXDRLOKMMZEOG-QMMMGPOBSA-N 0 0 273.163 3.181 20 10 CGCDRN CCN(Cc1cc(C)nc(C)n1)c1ccc(OC)cc1 ZINC000851828232 637516701 /nfs/dbraw/zinc/51/67/01/637516701.db2.gz ONFDZSKTUDDOGM-UHFFFAOYSA-N 0 0 271.364 3.129 20 10 CGCDRN O=C(NCC1=CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000851986520 637564971 /nfs/dbraw/zinc/56/49/71/637564971.db2.gz BYORGFSZYGRKTG-UHFFFAOYSA-N 0 0 299.418 3.196 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1c([O-])cccc1F ZINC000886550061 637576058 /nfs/dbraw/zinc/57/60/58/637576058.db2.gz RUZFGMSOZXSZNC-BXUZGUMPSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886587747 637593708 /nfs/dbraw/zinc/59/37/08/637593708.db2.gz DYSFFVSWAZUJDC-JHJVBQTASA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1c([O-])cccc1F ZINC000886590381 637596291 /nfs/dbraw/zinc/59/62/91/637596291.db2.gz UIBUXPKHMLCREN-VHSXEESVSA-N 0 0 280.368 3.442 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)nc1 ZINC000886624137 637614060 /nfs/dbraw/zinc/61/40/60/637614060.db2.gz YFPJLHLMMGDGSU-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN Cc1ccc(CCNC(=O)NCc2ccccc2O)cc1C ZINC000852538365 637675810 /nfs/dbraw/zinc/67/58/10/637675810.db2.gz ZZSSTFNKMRRKGV-UHFFFAOYSA-N 0 0 298.386 3.051 20 10 CGCDRN C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000853238207 637790220 /nfs/dbraw/zinc/79/02/20/637790220.db2.gz CESYEVQSXWIAJG-CSJGVYOVSA-N 0 0 299.361 3.262 20 10 CGCDRN CCOC(=O)c1cnc(SCCC(F)(F)F)s1 ZINC000853564406 637867891 /nfs/dbraw/zinc/86/78/91/637867891.db2.gz QILNFMRIOHZSLA-UHFFFAOYSA-N 0 0 285.312 3.364 20 10 CGCDRN Cc1ccc(N[C@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000853691806 637893339 /nfs/dbraw/zinc/89/33/39/637893339.db2.gz FJUONXNQYWAPBA-CQSZACIVSA-N 0 0 284.407 3.203 20 10 CGCDRN C/C(=C/C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000854324476 638042987 /nfs/dbraw/zinc/04/29/87/638042987.db2.gz LLGFZLORMIHUHT-OWBHPGMISA-N 0 0 298.386 3.408 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2cc(C)sc2C)c1 ZINC000114542207 638375861 /nfs/dbraw/zinc/37/58/61/638375861.db2.gz XTCDUHJDDZHRDJ-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN COc1ccc(N(C)Cc2cncc(Cl)c2)cc1OC ZINC000856722105 638376618 /nfs/dbraw/zinc/37/66/18/638376618.db2.gz NLTVYZOIWXMMKF-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN CCOc1cncc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000857038207 638437879 /nfs/dbraw/zinc/43/78/79/638437879.db2.gz LJXMVRYYIWZCHL-UHFFFAOYSA-N 0 0 290.338 3.264 20 10 CGCDRN CCCC[C@H](C(=O)NCc1cc(OC)ccc1O)C(C)C ZINC000857126022 638458650 /nfs/dbraw/zinc/45/86/50/638458650.db2.gz QGRXOOZXWIWUNX-HNNXBMFYSA-N 0 0 293.407 3.479 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C)C1 ZINC000115853931 638626814 /nfs/dbraw/zinc/62/68/14/638626814.db2.gz IJVRYZYZSMCWJA-CYBMUJFWSA-N 0 0 289.423 3.003 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C)C1 ZINC000115853929 638627087 /nfs/dbraw/zinc/62/70/87/638627087.db2.gz IJVRYZYZSMCWJA-ZDUSSCGKSA-N 0 0 289.423 3.003 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cccs2)c1 ZINC000858123168 638636709 /nfs/dbraw/zinc/63/67/09/638636709.db2.gz YEMYZRHSHLGDAF-LLVKDONJSA-N 0 0 290.388 3.323 20 10 CGCDRN Cc1ncc(CNCc2cc(F)c(N(C)C)cc2F)s1 ZINC000858127581 638637884 /nfs/dbraw/zinc/63/78/84/638637884.db2.gz JFKXXOOFUORKSA-UHFFFAOYSA-N 0 0 297.374 3.086 20 10 CGCDRN Cc1cc(O)c(CNc2cnn(CCF)c2)c(Cl)c1 ZINC000858246321 638662836 /nfs/dbraw/zinc/66/28/36/638662836.db2.gz CQHPRIQXMKHWOC-UHFFFAOYSA-N 0 0 283.734 3.132 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC2(C3CC3)CCC2)c1 ZINC000858313991 638678110 /nfs/dbraw/zinc/67/81/10/638678110.db2.gz UONJMAHSGPHLDW-UHFFFAOYSA-N 0 0 288.391 3.080 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccsc2)c1 ZINC000858430452 638715373 /nfs/dbraw/zinc/71/53/73/638715373.db2.gz WIJNKRPLANWKIJ-NSHDSACASA-N 0 0 290.388 3.323 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000858445370 638722038 /nfs/dbraw/zinc/72/20/38/638722038.db2.gz HKNCMJXBGHOZHZ-WDEREUQCSA-N 0 0 285.334 3.138 20 10 CGCDRN C[C@@H]([NH2+]CC1CC=CC1)c1cc(F)cc(F)c1[O-] ZINC000858463159 638725780 /nfs/dbraw/zinc/72/57/80/638725780.db2.gz KUIRQPQUDUNAEZ-SECBINFHSA-N 0 0 253.292 3.287 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)CCC(C)C)c1ccc(F)cc1[O-] ZINC000858485964 638737365 /nfs/dbraw/zinc/73/73/65/638737365.db2.gz QWDKLCVGNYBMBS-UKRRQHHQSA-N 0 0 283.387 3.369 20 10 CGCDRN CC(C)CC[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000858485998 638737888 /nfs/dbraw/zinc/73/78/88/638737888.db2.gz RKRMBOUAOHQXGW-ZYHUDNBSSA-N 0 0 287.350 3.118 20 10 CGCDRN Cc1ncccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000858519250 638753139 /nfs/dbraw/zinc/75/31/39/638753139.db2.gz XLKWLIZUTPROQX-JTQLQIEISA-N 0 0 278.302 3.225 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CC(C)(C)C)c1 ZINC000858529127 638756134 /nfs/dbraw/zinc/75/61/34/638756134.db2.gz ISJDKHJGXKMARA-GFCCVEGCSA-N 0 0 278.396 3.325 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927032754 638833844 /nfs/dbraw/zinc/83/38/44/638833844.db2.gz OZZZRJOHANZBHD-MXWKQRLJSA-N 0 0 296.392 3.235 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927032755 638833989 /nfs/dbraw/zinc/83/39/89/638833989.db2.gz OZZZRJOHANZBHD-OUAUKWLOSA-N 0 0 296.392 3.235 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C1(c2ccccc2)CCC1 ZINC000928709561 638889463 /nfs/dbraw/zinc/88/94/63/638889463.db2.gz JNUZCFVQVRGRLA-UHFFFAOYSA-N 0 0 299.345 3.269 20 10 CGCDRN CCCC[C@@](C)(F)C(=O)NCc1c(O)cccc1F ZINC000928710078 638889563 /nfs/dbraw/zinc/88/95/63/638889563.db2.gz GRZSPKUQLANCMW-CQSZACIVSA-N 0 0 271.307 3.066 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1cccc(Cl)c1[O-] ZINC000858584114 638997818 /nfs/dbraw/zinc/99/78/18/638997818.db2.gz MQFVWELFHNPULW-KWBADKCTSA-N 0 0 269.772 3.264 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)C=CCC1 ZINC000930905680 639085471 /nfs/dbraw/zinc/08/54/71/639085471.db2.gz KKYWGZKHJFXVRE-GOSISDBHSA-N 0 0 286.419 3.457 20 10 CGCDRN Nc1ccc(CNC(=O)CC(C2CCC2)C2CCC2)cc1 ZINC000859594431 639170579 /nfs/dbraw/zinc/17/05/79/639170579.db2.gz ZXBNMXVNPDJJCA-UHFFFAOYSA-N 0 0 286.419 3.492 20 10 CGCDRN C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000859698393 639193388 /nfs/dbraw/zinc/19/33/88/639193388.db2.gz VXIXTRKKGHEMLS-IBUXWKBASA-N 0 0 273.380 3.479 20 10 CGCDRN Cc1noc(C(C)C)c1NC(=O)NCc1ccccc1O ZINC000932868002 639389337 /nfs/dbraw/zinc/38/93/37/639389337.db2.gz KLEMOEJKCMWUHA-UHFFFAOYSA-N 0 0 289.335 3.134 20 10 CGCDRN Cc1cocc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000860950063 639473590 /nfs/dbraw/zinc/47/35/90/639473590.db2.gz HGIALWVHTNHWDK-GFCCVEGCSA-N 0 0 272.348 3.145 20 10 CGCDRN C[C@@H]1CCC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862028071 639636122 /nfs/dbraw/zinc/63/61/22/639636122.db2.gz OPKXPYVRLNVLBZ-TZMCWYRMSA-N 0 0 298.386 3.383 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CC=CCC2)c1 ZINC000934940506 639720535 /nfs/dbraw/zinc/72/05/35/639720535.db2.gz NTJBGBNFCAPEAU-STQMWFEESA-N 0 0 289.375 3.324 20 10 CGCDRN CCCCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000935311983 639785494 /nfs/dbraw/zinc/78/54/94/639785494.db2.gz UFFZBAPENXSJHE-LBPRGKRZSA-N 0 0 291.391 3.115 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCOC1 ZINC000042153443 639912147 /nfs/dbraw/zinc/91/21/47/639912147.db2.gz XMAGQMYAGCNXPE-GFCCVEGCSA-N 0 0 274.389 3.216 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccccc1 ZINC000160063223 640087640 /nfs/dbraw/zinc/08/76/40/640087640.db2.gz ULXANYRIPMPWIN-MDZDMXLPSA-N 0 0 266.344 3.456 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000187699310 640094998 /nfs/dbraw/zinc/09/49/98/640094998.db2.gz SZUFXZNNXUGROI-FRRDWIJNSA-N 0 0 291.391 3.404 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1csc(Cl)c1 ZINC000188358078 640131683 /nfs/dbraw/zinc/13/16/83/640131683.db2.gz IQCCDXIQZPYSRI-UHFFFAOYSA-N 0 0 281.764 3.379 20 10 CGCDRN CCC[C@@H](C)C(=O)NCCCSc1nccs1 ZINC000078725923 640336248 /nfs/dbraw/zinc/33/62/48/640336248.db2.gz UKCKIUJDPDPLRV-SNVBAGLBSA-N 0 0 272.439 3.178 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2occc2C)cc1 ZINC000079390292 640398629 /nfs/dbraw/zinc/39/86/29/640398629.db2.gz XAIDWWUPDQMQRO-UHFFFAOYSA-N 0 0 286.375 3.364 20 10 CGCDRN Cc1cc(NCc2ccc(N3CCCC3)cc2)nc(C)n1 ZINC000192809215 640407887 /nfs/dbraw/zinc/40/78/87/640407887.db2.gz MEBFXIHWMQWUSM-UHFFFAOYSA-N 0 0 282.391 3.306 20 10 CGCDRN CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000245841799 640642543 /nfs/dbraw/zinc/64/25/43/640642543.db2.gz ZRJGDZYTBQZKFE-QJPTWQEYSA-N 0 0 294.395 3.196 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(c2)COC3)cc1 ZINC000092855144 640747761 /nfs/dbraw/zinc/74/77/61/640747761.db2.gz BMHKKXHWJOIILQ-UHFFFAOYSA-N 0 0 268.360 3.395 20 10 CGCDRN C[C@@H](Nc1ccc2c(c1)OCO2)c1cc(F)ccc1O ZINC000094616788 640798949 /nfs/dbraw/zinc/79/89/49/640798949.db2.gz BREIHFABFYUZDS-SECBINFHSA-N 0 0 275.279 3.433 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000252217456 640841262 /nfs/dbraw/zinc/84/12/62/640841262.db2.gz YBXDPTQLBWFODJ-VWYCJHECSA-N 0 0 284.450 3.319 20 10 CGCDRN O=C(/C=C\c1ccccc1F)NCc1c(O)cccc1F ZINC001156177224 805663109 /nfs/dbraw/zinc/66/31/09/805663109.db2.gz BOCXZCAXIOLCIT-HJWRWDBZSA-N 0 0 289.281 3.000 20 10 CGCDRN Cn1c(-c2cc(O)c(O)cc2O)nc2cccc(Cl)c21 ZINC001251355469 805887107 /nfs/dbraw/zinc/88/71/07/805887107.db2.gz NBHTTYIRSFIWJH-UHFFFAOYSA-N 0 0 290.706 3.011 20 10 CGCDRN O=C(NC[C@@H]1CCC=CCCC1)C1=CC(=O)CS1 ZINC001158912750 806019513 /nfs/dbraw/zinc/01/95/13/806019513.db2.gz HZRNSLSJYAQPAU-LLVKDONJSA-N 0 0 265.378 3.320 20 10 CGCDRN Oc1ccc(CNc2cc(-c3cccs3)ncn2)cc1O ZINC001158997246 806028703 /nfs/dbraw/zinc/02/87/03/806028703.db2.gz ALHUNMBNHPWPNR-UHFFFAOYSA-N 0 0 299.355 3.228 20 10 CGCDRN CC(C)n1ccc2c1ncnc2NCc1ccc(O)c(O)c1 ZINC001158997899 806029187 /nfs/dbraw/zinc/02/91/87/806029187.db2.gz SYLBOXABMNQICW-UHFFFAOYSA-N 0 0 298.346 3.036 20 10 CGCDRN Cc1ccc(-c2nnc(-c3ccc(O)c(O)c3)o2)cc1 ZINC001252608438 806085850 /nfs/dbraw/zinc/08/58/50/806085850.db2.gz VKQFVIVOVVTZBP-UHFFFAOYSA-N 0 0 268.272 3.123 20 10 CGCDRN COc1ncc(F)c(NCc2cc3ccccc3cc2O)n1 ZINC001160206029 806235165 /nfs/dbraw/zinc/23/51/65/806235165.db2.gz DFVDSMMAPWGVBL-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN Cc1cc(C)c(CNc2nc(Cl)ncc2F)c(O)c1 ZINC001160808119 806304200 /nfs/dbraw/zinc/30/42/00/806304200.db2.gz KVECGOCABFEGSA-UHFFFAOYSA-N 0 0 281.718 3.204 20 10 CGCDRN Cc1cc(C)c(CNc2ccc(F)c(C)n2)c(O)c1 ZINC001160808616 806306001 /nfs/dbraw/zinc/30/60/01/806306001.db2.gz VDTNNPOKVKURGB-UHFFFAOYSA-N 0 0 260.312 3.464 20 10 CGCDRN Cc1cc(C)c(CNc2ncnc3c2CCCC3)c(O)c1 ZINC001160810168 806306419 /nfs/dbraw/zinc/30/64/19/806306419.db2.gz LGBBFGALBNJNIQ-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN CCOc1cccc(CNc2ccc3n[nH]cc3c2)c1O ZINC000036989565 798854538 /nfs/dbraw/zinc/85/45/38/798854538.db2.gz UPMFWRBXYHJDLJ-UHFFFAOYSA-N 0 0 283.331 3.279 20 10 CGCDRN CCOc1ncccc1NCc1ccc(N(C)C)cc1 ZINC000037025933 798856572 /nfs/dbraw/zinc/85/65/72/798856572.db2.gz ROWONGCOSVMCKD-UHFFFAOYSA-N 0 0 271.364 3.158 20 10 CGCDRN CC(=O)c1cc(F)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000037322462 798866160 /nfs/dbraw/zinc/86/61/60/798866160.db2.gz GQLIHQRCBJGGJZ-QWRGUYRKSA-N 0 0 279.355 3.212 20 10 CGCDRN CSc1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000042879150 798889027 /nfs/dbraw/zinc/88/90/27/798889027.db2.gz SUAQAXRFYCQEHM-UHFFFAOYSA-N 0 0 289.356 3.455 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])o1 ZINC000053037019 798897334 /nfs/dbraw/zinc/89/73/34/798897334.db2.gz NDPQXZVNMFGSRI-UHFFFAOYSA-N 0 0 296.164 3.346 20 10 CGCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000125463291 799001589 /nfs/dbraw/zinc/00/15/89/799001589.db2.gz IXGGCPVGWWMTHU-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN O=C(NCCCSc1nccs1)N[C@@H]1C=CCCC1 ZINC000154522276 799061456 /nfs/dbraw/zinc/06/14/56/799061456.db2.gz YYPBIYPSFUYLFE-LLVKDONJSA-N 0 0 297.449 3.033 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180977784 799112075 /nfs/dbraw/zinc/11/20/75/799112075.db2.gz BQQNKMMYIJWWGN-GKUAPZSJSA-N 0 0 289.375 3.054 20 10 CGCDRN CCc1nn(C)cc1NCc1ccc(N2CCCC2)cc1 ZINC000222943535 799136348 /nfs/dbraw/zinc/13/63/48/799136348.db2.gz ACJWMZJMXADMSN-UHFFFAOYSA-N 0 0 284.407 3.195 20 10 CGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C\c1cncc(C)c1 ZINC000255314683 799170700 /nfs/dbraw/zinc/17/07/00/799170700.db2.gz LDEJOFAWYIPZNC-XQRVVYSFSA-N 0 0 294.354 3.137 20 10 CGCDRN CC(=O)c1nc(-c2ccc(N(C)C)cc2)sc1C ZINC000384153850 799412977 /nfs/dbraw/zinc/41/29/77/799412977.db2.gz PYSNDRSKEYEVIX-UHFFFAOYSA-N 0 0 260.362 3.387 20 10 CGCDRN CC(C)c1ccccc1OCC(=O)N(C)c1ccc(N)cc1 ZINC000386979182 799442132 /nfs/dbraw/zinc/44/21/32/799442132.db2.gz ZGBNCMGEAWQODP-UHFFFAOYSA-N 0 0 298.386 3.434 20 10 CGCDRN CCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])COC1 ZINC000393994581 799492444 /nfs/dbraw/zinc/49/24/44/799492444.db2.gz XYYBDQYMMVHXON-UHFFFAOYSA-N 0 0 290.190 3.215 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)C(C)(F)F ZINC000405973497 799588072 /nfs/dbraw/zinc/58/80/72/799588072.db2.gz KRSXGHQSUBLGGX-UHFFFAOYSA-N 0 0 271.307 3.032 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cc(N)ncn1 ZINC001163486162 806770157 /nfs/dbraw/zinc/77/01/57/806770157.db2.gz FBKULYAXKVOGJE-MRXNPFEDSA-N 0 0 298.390 3.117 20 10 CGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)cc2)cs1 ZINC000689081847 799759438 /nfs/dbraw/zinc/75/94/38/799759438.db2.gz XPZOZJQBGMTLIP-UHFFFAOYSA-N 0 0 291.372 3.180 20 10 CGCDRN CCSC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000691799920 799786975 /nfs/dbraw/zinc/78/69/75/799786975.db2.gz IGVQMQBQLYADEP-JTQLQIEISA-N 0 0 269.385 3.468 20 10 CGCDRN COCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000691868761 799789880 /nfs/dbraw/zinc/78/98/80/799789880.db2.gz WPHMEBPNBWAYEX-UHFFFAOYSA-N 0 0 290.190 3.215 20 10 CGCDRN O=C(/C=C/c1ccccc1Cl)NCc1ccccc1O ZINC000701176417 799885064 /nfs/dbraw/zinc/88/50/64/799885064.db2.gz LBJLIYWNTRTNFI-MDZDMXLPSA-N 0 0 287.746 3.375 20 10 CGCDRN CC1(C)C[C@@]1(C)[NH2+]Cc1ccc(Br)cc1O ZINC000702031140 799902691 /nfs/dbraw/zinc/90/26/91/799902691.db2.gz VPROHLIHUVFPPN-CYBMUJFWSA-N 0 0 284.197 3.433 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCc3ccccc32)ccc(F)c1F ZINC000703228510 799919874 /nfs/dbraw/zinc/91/98/74/799919874.db2.gz AZIOLNAXIARANB-CQSZACIVSA-N 0 0 275.298 3.448 20 10 CGCDRN C[C@H](NC(=O)NC/C=C/c1ccccc1)c1ccccc1O ZINC001255936831 806788903 /nfs/dbraw/zinc/78/89/03/806788903.db2.gz AFXBHXWLMRCHOY-RNVIBTMRSA-N 0 0 296.370 3.466 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccns1 ZINC000715997830 800158201 /nfs/dbraw/zinc/15/82/01/800158201.db2.gz LVOGWLNXQUFCFK-DTWKUNHWSA-N 0 0 266.341 3.400 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CCC=CCCC2)cc1 ZINC000718999979 800229053 /nfs/dbraw/zinc/22/90/53/800229053.db2.gz ZUKMVVCWFRQGNX-CQSZACIVSA-N 0 0 258.365 3.022 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1CCC=CCCC1 ZINC000719075783 800231334 /nfs/dbraw/zinc/23/13/34/800231334.db2.gz ZCBNJWBJGVYRGD-ZDUSSCGKSA-N 0 0 259.349 3.145 20 10 CGCDRN COc1ccc(CNCc2ncc(Cl)s2)cc1C ZINC000719399582 800237903 /nfs/dbraw/zinc/23/79/03/800237903.db2.gz DTJKRYPUCPBFIX-UHFFFAOYSA-N 0 0 282.796 3.403 20 10 CGCDRN Cc1nc(C[NH2+]Cc2cccc(Cl)c2[O-])sc1C ZINC000719528853 800240770 /nfs/dbraw/zinc/24/07/70/800240770.db2.gz XUQCYIHUGYRDRC-UHFFFAOYSA-N 0 0 282.796 3.409 20 10 CGCDRN Cc1cc2c(cc1C)N(C(=O)/C=C\c1cccnc1)CC2 ZINC000804319770 800397045 /nfs/dbraw/zinc/39/70/45/800397045.db2.gz FRERVRMBIHTQDT-WAYWQWQTSA-N 0 0 278.355 3.301 20 10 CGCDRN CN(C)c1ccc(CN(C)C2(C(F)(F)F)CC2)cc1 ZINC000932301188 800656008 /nfs/dbraw/zinc/65/60/08/800656008.db2.gz OUGXWHWWTVUQTL-UHFFFAOYSA-N 0 0 272.314 3.279 20 10 CGCDRN Cc1cc2c(ncnc2N2Cc3cccc(O)c3C2)s1 ZINC001163968577 806864425 /nfs/dbraw/zinc/86/44/25/806864425.db2.gz QNWMEMAENXMNKH-UHFFFAOYSA-N 0 0 283.356 3.226 20 10 CGCDRN CCc1nocc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001117759836 802488990 /nfs/dbraw/zinc/48/89/90/802488990.db2.gz DIKJQCLREFIAOR-UHFFFAOYSA-N 0 0 299.418 3.469 20 10 CGCDRN C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc(F)cc1[O-] ZINC001118493760 802576737 /nfs/dbraw/zinc/57/67/37/802576737.db2.gz VOWDHNJFSLVIDY-NCZMNARYSA-N 0 0 271.282 3.370 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCCC34CC4)ccc21 ZINC001118869779 802612627 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ZINC001302532424 809597278 /nfs/dbraw/zinc/59/72/78/809597278.db2.gz BUBAWPAYNPRJKW-SECBINFHSA-N 0 0 289.356 3.147 20 10 CGCDRN Cc1c(F)cccc1C(=O)N[C@H](C)c1ccccc1O ZINC001302532893 809597295 /nfs/dbraw/zinc/59/72/95/809597295.db2.gz SZUDBMWVUOLKHN-LLVKDONJSA-N 0 0 273.307 3.331 20 10 CGCDRN CC(C)(CC(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001303223419 809605973 /nfs/dbraw/zinc/60/59/73/809605973.db2.gz OVSLYVMUIKOPSH-UHFFFAOYSA-N 0 0 299.370 3.082 20 10 CGCDRN Cc1ccc2oc(C(=O)NCc3cc(O)ccc3O)cc2c1 ZINC001303223379 809606226 /nfs/dbraw/zinc/60/62/26/809606226.db2.gz NCASWRNMNHEVGJ-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN Nc1ccc(N(CCO)c2cccc(OCC3CC3)c2)cc1 ZINC001176492366 809706874 /nfs/dbraw/zinc/70/68/74/809706874.db2.gz ZHZBOMBIYRYEPR-UHFFFAOYSA-N 0 0 298.386 3.188 20 10 CGCDRN Cn1cc(Nc2cccc(O)c2O)c(-c2ccccc2)n1 ZINC001176569299 809719789 /nfs/dbraw/zinc/71/97/89/809719789.db2.gz KHTCYFXKRWWWEW-UHFFFAOYSA-N 0 0 281.315 3.242 20 10 CGCDRN CCC1(C(=O)NCc2c(C)cc(C)cc2O)CCC1 ZINC001179026888 809900593 /nfs/dbraw/zinc/90/05/93/809900593.db2.gz NVHPVASSJISIJD-UHFFFAOYSA-N 0 0 261.365 3.206 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)c1cncc(F)c1 ZINC001179033183 809901246 /nfs/dbraw/zinc/90/12/46/809901246.db2.gz UUJLZOLKOQUJGR-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN CN(C)c1ccc(C=CC(=O)Nc2ccc[nH]c2=S)cc1 ZINC001180123070 809976227 /nfs/dbraw/zinc/97/62/27/809976227.db2.gz MQPQMPRYUCBYIB-JXMROGBWSA-N 0 0 299.399 3.088 20 10 CGCDRN CN(C)c1ccc(/C=C/C(=O)NC(C)(C)C2CC2)cc1 ZINC001180128856 809977554 /nfs/dbraw/zinc/97/75/54/809977554.db2.gz WRBAMPCDNIRYIK-KPKJPENVSA-N 0 0 272.392 3.071 20 10 CGCDRN COc1cc(C)c(CN2CCN(C)c3ccccc32)c(O)c1 ZINC001180723243 810020031 /nfs/dbraw/zinc/02/00/31/810020031.db2.gz FASPNKHLIWETBL-UHFFFAOYSA-N 0 0 298.386 3.166 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)N1CCc2cccc(O)c2C1 ZINC001181822037 810074116 /nfs/dbraw/zinc/07/41/16/810074116.db2.gz NLUSKQFXJOVJML-CYBMUJFWSA-N 0 0 275.392 3.349 20 10 CGCDRN C[C@H]1CC2(C[N@@H+]1Cc1cc(F)c(F)cc1[O-])CCOCC2 ZINC001182542890 810114020 /nfs/dbraw/zinc/11/40/20/810114020.db2.gz HRHICXSEEAIFQL-NSHDSACASA-N 0 0 297.345 3.061 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001182865270 810128257 /nfs/dbraw/zinc/12/82/57/810128257.db2.gz WKFSTXGFFSLACN-OUAUKWLOSA-N 0 0 271.282 3.055 20 10 CGCDRN CCN(Cc1ccccc1O)C(=O)Nc1c(C)noc1C ZINC001185172135 810240494 /nfs/dbraw/zinc/24/04/94/810240494.db2.gz WQWGELRLEUEOGF-UHFFFAOYSA-N 0 0 289.335 3.051 20 10 CGCDRN Cc1ccc(CNC(=O)NCc2cccc(C)c2O)cc1 ZINC001185423358 810263049 /nfs/dbraw/zinc/26/30/49/810263049.db2.gz WANASGVPJYYATB-UHFFFAOYSA-N 0 0 284.359 3.008 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1ccc[nH]1 ZINC001188582481 810490821 /nfs/dbraw/zinc/49/08/21/810490821.db2.gz VWQFPKXSIOZHCL-MRXNPFEDSA-N 0 0 298.386 3.391 20 10 CGCDRN CCCOc1ccccc1C(=O)NCc1ccccc1O ZINC001191003527 810663158 /nfs/dbraw/zinc/66/31/58/810663158.db2.gz IUPNJNJXFQLNHO-UHFFFAOYSA-N 0 0 285.343 3.111 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193237066 810866367 /nfs/dbraw/zinc/86/63/67/810866367.db2.gz VROKJVHXXDDKCU-IUCAKERBSA-N 0 0 285.771 3.306 20 10 CGCDRN Cc1ccc(OC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001194485926 811082173 /nfs/dbraw/zinc/08/21/73/811082173.db2.gz VKVCEQJBFYPNEH-UHFFFAOYSA-N 0 0 284.359 3.350 20 10 CGCDRN O=C(NCc1ccccc1O)c1nccc(Cl)c1Cl ZINC001195458935 811256332 /nfs/dbraw/zinc/25/63/32/811256332.db2.gz JQOBQAFLLQQTCE-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN Fc1ccc(NC(=S)NCc2cccc(Cl)n2)cc1 ZINC001196955670 811386775 /nfs/dbraw/zinc/38/67/75/811386775.db2.gz DFKBVOCXWFIALS-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN Cc1ccc(F)c(CNC(=S)Nc2cccc(F)c2)n1 ZINC001197659095 811442091 /nfs/dbraw/zinc/44/20/91/811442091.db2.gz QBHAIIGUKHUWEE-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CCN(Cc1ccccc1F)C(=S)NCc1ccco1 ZINC001200558751 811711693 /nfs/dbraw/zinc/71/16/93/811711693.db2.gz GDOMNYJQGPJCGU-UHFFFAOYSA-N 0 0 292.379 3.315 20 10 CGCDRN CC(C)Nc1ccc(Nc2ccc(F)cc2C(N)=O)cc1 ZINC001201496855 811867598 /nfs/dbraw/zinc/86/75/98/811867598.db2.gz AKIPDCZTLWXOGF-UHFFFAOYSA-N 0 0 287.338 3.489 20 10 CGCDRN Cc1ccsc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001201684532 811937022 /nfs/dbraw/zinc/93/70/22/811937022.db2.gz JMGKFGBKZOMBNZ-UHFFFAOYSA-N 0 0 292.360 3.003 20 10 CGCDRN Cc1cccc(-c2noc(-c3cccc(O)c3O)n2)c1F ZINC001215143660 815489147 /nfs/dbraw/zinc/48/91/47/815489147.db2.gz IVNRDDVSPPCOQF-UHFFFAOYSA-N 0 0 286.262 3.262 20 10 CGCDRN CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202101244 812015192 /nfs/dbraw/zinc/01/51/92/812015192.db2.gz GDNQLVCLSSHSKM-LSDHHAIUSA-N 0 0 299.361 3.354 20 10 CGCDRN C[C@H](NC(=O)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001202505132 812109772 /nfs/dbraw/zinc/10/97/72/812109772.db2.gz YMCGEXJQOCXRGG-ZDUSSCGKSA-N 0 0 296.370 3.221 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1O ZINC001203536536 812387176 /nfs/dbraw/zinc/38/71/76/812387176.db2.gz XVDIFABFDFLCAN-SECBINFHSA-N 0 0 279.286 3.227 20 10 CGCDRN CO[C@@H](C)C1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203584526 812400524 /nfs/dbraw/zinc/40/05/24/812400524.db2.gz BNBCFMJCGYHDNI-QMMMGPOBSA-N 0 0 290.190 3.166 20 10 CGCDRN CCOc1cccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001203602106 812405458 /nfs/dbraw/zinc/40/54/58/812405458.db2.gz AAJSNIOXOSFBMP-DZGCQCFKSA-N 0 0 285.334 3.063 20 10 CGCDRN CCOc1cccc(CN2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001203602108 812405689 /nfs/dbraw/zinc/40/56/89/812405689.db2.gz AAJSNIOXOSFBMP-UKRRQHHQSA-N 0 0 285.334 3.063 20 10 CGCDRN O=C1CCN(Cc2cc(Cl)ccc2O)[C@@H]2CCCC[C@H]12 ZINC001203648146 812414913 /nfs/dbraw/zinc/41/49/13/812414913.db2.gz FCLWVJSRWISUNA-UONOGXRCSA-N 0 0 293.794 3.379 20 10 CGCDRN CN(C)c1ccc(CN2CC(F)(F)C[C@@]2(C)CF)cc1 ZINC001203931006 812494994 /nfs/dbraw/zinc/49/49/94/812494994.db2.gz KOYGDKGEJWXQQY-AWEZNQCLSA-N 0 0 286.341 3.322 20 10 CGCDRN CCN(CC)c1ccc(CN2CC(F)(C3CC3)C2)cc1 ZINC001203937345 812497109 /nfs/dbraw/zinc/49/71/09/812497109.db2.gz VSNPIOXEHWLNKE-UHFFFAOYSA-N 0 0 276.399 3.467 20 10 CGCDRN Oc1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001204281553 812596893 /nfs/dbraw/zinc/59/68/93/812596893.db2.gz VMFPGMUHNHCATN-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN COc1cc(Nc2cccc(O)c2O)cc(C)c1F ZINC001215702663 815560950 /nfs/dbraw/zinc/56/09/50/815560950.db2.gz LHQYGDWJRMSAIQ-UHFFFAOYSA-N 0 0 263.268 3.298 20 10 CGCDRN COc1cc(N(C)c2ccc(N)cc2)cc(C)c1F ZINC001215704341 815562217 /nfs/dbraw/zinc/56/22/17/815562217.db2.gz AAFXEEUVWKDISV-UHFFFAOYSA-N 0 0 260.312 3.493 20 10 CGCDRN CCN(c1ccccc1)c1cc(-c2cnc(C)nc2)ncn1 ZINC001205839226 813104204 /nfs/dbraw/zinc/10/42/04/813104204.db2.gz GNBAULZNLJMNLZ-UHFFFAOYSA-N 0 0 291.358 3.400 20 10 CGCDRN [NH3+][C@@H]1CCCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001205931292 813139150 /nfs/dbraw/zinc/13/91/50/813139150.db2.gz IMKGLUWBDOZJAO-LLVKDONJSA-N 0 0 289.206 3.012 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2c(F)cncc2F)cc1 ZINC001206859846 813455015 /nfs/dbraw/zinc/45/50/15/813455015.db2.gz KTNMNJXBWNUBSN-UHFFFAOYSA-N 0 0 291.345 3.058 20 10 CGCDRN CCn1ccnc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001207145934 813495864 /nfs/dbraw/zinc/49/58/64/813495864.db2.gz XCYMAZWLUCBVGN-UHFFFAOYSA-N 0 0 298.434 3.135 20 10 CGCDRN Oc1ccc(Nc2ccc3c(c2)OCCN3)c(F)c1F ZINC001209728957 814122558 /nfs/dbraw/zinc/12/25/58/814122558.db2.gz XIDNXCXDGUXUDM-UHFFFAOYSA-N 0 0 278.258 3.218 20 10 CGCDRN CC(=O)c1cc(Nc2ccc3c(c2)OCCN3)ccc1O ZINC001209766736 814134740 /nfs/dbraw/zinc/13/47/40/814134740.db2.gz DWFFVTFCEXTFFB-UHFFFAOYSA-N 0 0 284.315 3.143 20 10 CGCDRN CCOc1cc(C)ccc1N(CCO)c1ccc(N)cc1 ZINC001215874693 815620659 /nfs/dbraw/zinc/62/06/59/815620659.db2.gz GIJPYWWYRKLFDR-UHFFFAOYSA-N 0 0 286.375 3.106 20 10 CGCDRN Nc1ccc(CC(=O)Nc2cccc3cccc(N)c32)cc1 ZINC001218921596 816257289 /nfs/dbraw/zinc/25/72/89/816257289.db2.gz MYORPQJPYULMAA-UHFFFAOYSA-N 0 0 291.354 3.185 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cnccc1Br ZINC001243053992 823229443 /nfs/dbraw/zinc/22/94/43/823229443.db2.gz JBDNZWLCLCGDGY-UHFFFAOYSA-N 0 0 288.148 3.398 20 10 CGCDRN CCOc1ccc(-c2nccc3c2ccn3C)c(OCC)n1 ZINC001243150635 823265664 /nfs/dbraw/zinc/26/56/64/823265664.db2.gz QTAFMSAIOGADAN-UHFFFAOYSA-N 0 0 297.358 3.433 20 10 CGCDRN C[C@@H](Oc1ccc(N(C)C)cc1)c1ccncc1F ZINC001227938957 817758932 /nfs/dbraw/zinc/75/89/32/817758932.db2.gz HNWHYJHUNSBSLE-LLVKDONJSA-N 0 0 260.312 3.427 20 10 CGCDRN O=C1CN(Cc2ccc3ccccc3c2O)CCC[C@H]1F ZINC001231879683 818199117 /nfs/dbraw/zinc/19/91/17/818199117.db2.gz NOHNEIJFKNRSSE-OAHLLOKOSA-N 0 0 287.334 3.048 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001231909795 818208685 /nfs/dbraw/zinc/20/86/85/818208685.db2.gz IZOBADUOQSICKT-SMDDNHRTSA-N 0 0 281.783 3.047 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001231912238 818209727 /nfs/dbraw/zinc/20/97/27/818209727.db2.gz AITWATGFUVPOBF-LBPRGKRZSA-N 0 0 299.773 3.139 20 10 CGCDRN O=C1CCN(Cc2cccc(Cl)c2[O-])[C@@H]2CCCC[C@H]12 ZINC001231909836 818209772 /nfs/dbraw/zinc/20/97/72/818209772.db2.gz RHQMSTNVXUFKFF-GXTWGEPZSA-N 0 0 293.794 3.379 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C2(CC2)C1 ZINC001231912936 818212512 /nfs/dbraw/zinc/21/25/12/818212512.db2.gz DXUROVUKDGQPTJ-SNVBAGLBSA-N 0 0 251.757 3.420 20 10 CGCDRN C[C@@]1(F)CCN(Cc2cc(Cl)c(O)cc2O)C[C@H]1F ZINC001232258925 818295263 /nfs/dbraw/zinc/29/52/63/818295263.db2.gz DOQZNXUGUZKMJN-CHWSQXEVSA-N 0 0 291.725 3.023 20 10 CGCDRN C[N@H+](Cc1cc([O-])c(F)c(F)c1)Cc1ccccc1O ZINC001232975168 818490460 /nfs/dbraw/zinc/49/04/60/818490460.db2.gz FKIDRWQJBVDXOH-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCCCC23CC3)ccc(F)c1F ZINC001233078128 818520023 /nfs/dbraw/zinc/52/00/23/818520023.db2.gz GYWHNKWMEUVYCW-UHFFFAOYSA-N 0 0 253.292 3.189 20 10 CGCDRN Oc1ccc(F)c(F)c1CN1Cc2ccccc2C1 ZINC001233331651 818583228 /nfs/dbraw/zinc/58/32/28/818583228.db2.gz FLHBJEUBEJABFY-UHFFFAOYSA-N 0 0 261.271 3.186 20 10 CGCDRN Oc1ccc(F)c(F)c1CN1CCc2ccc(F)cc2C1 ZINC001233335356 818583713 /nfs/dbraw/zinc/58/37/13/818583713.db2.gz RNSRMXDIMKPWQK-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN Oc1ccc(F)c(F)c1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001233332683 818584674 /nfs/dbraw/zinc/58/46/74/818584674.db2.gz UMOSBKSUGAVNPS-LLVKDONJSA-N 0 0 295.251 3.240 20 10 CGCDRN C[C@@H]1CCCCC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233334815 818584692 /nfs/dbraw/zinc/58/46/92/818584692.db2.gz UTEVNGXYOKJWMQ-SNVBAGLBSA-N 0 0 255.308 3.435 20 10 CGCDRN C[C@@]1(CF)CC(F)(F)CN1Cc1c(O)ccc(F)c1F ZINC001233332808 818586607 /nfs/dbraw/zinc/58/66/07/818586607.db2.gz YDILBBHQQRGJKE-LBPRGKRZSA-N 0 0 295.251 3.240 20 10 CGCDRN C[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)C[C@H](C)O1 ZINC001233415634 818613071 /nfs/dbraw/zinc/61/30/71/818613071.db2.gz DBADLGAFZFXNSZ-UWVGGRQHSA-N 0 0 289.297 3.020 20 10 CGCDRN CCC[N@H+](CCOC)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416157 818614612 /nfs/dbraw/zinc/61/46/12/818614612.db2.gz YEYAOBYWFMOYTA-UHFFFAOYSA-N 0 0 291.313 3.269 20 10 CGCDRN CCCC(=O)[C@@H](CCC)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473053 818863060 /nfs/dbraw/zinc/86/30/60/818863060.db2.gz AOYKAOSGENWOAL-OAHLLOKOSA-N 0 0 294.347 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CC(C)[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230690287 346321418 /nfs/dbraw/zinc/32/14/18/346321418.db2.gz RVTFWDCISAZFNY-GFCCVEGCSA-N 0 0 292.206 3.196 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)c(F)c1[O-] ZINC000187733209 299401531 /nfs/dbraw/zinc/40/15/31/299401531.db2.gz XYQAHRZOSFDUBD-SAQUARJESA-N 0 0 297.345 3.135 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273513171 299422647 /nfs/dbraw/zinc/42/26/47/299422647.db2.gz SEABKXICHDGVCR-NRUUGDAUSA-N 0 0 264.325 3.140 20 10 CGCDRN CN(C)c1ccc(CNc2nccnc2C(F)F)cc1F ZINC000288222007 371733804 /nfs/dbraw/zinc/73/38/04/371733804.db2.gz VNYQUZRRPXIJIG-UHFFFAOYSA-N 0 0 296.296 3.231 20 10 CGCDRN COCCc1ccnc(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000287643683 371687732 /nfs/dbraw/zinc/68/77/32/371687732.db2.gz URQDZUTWOZZTOA-NSHDSACASA-N 0 0 290.338 3.288 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cccc(Cl)c1[O-] ZINC000287697743 371694687 /nfs/dbraw/zinc/69/46/87/371694687.db2.gz 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WKLGICJLBSAZBQ-QWRGUYRKSA-N 0 0 281.446 3.375 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000176268216 373574484 /nfs/dbraw/zinc/57/44/84/373574484.db2.gz NUWATVYFWVCQGF-UHFFFAOYSA-N 0 0 290.338 3.032 20 10 CGCDRN Cc1nc(C)c(C)c(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000301675852 373797770 /nfs/dbraw/zinc/79/77/70/373797770.db2.gz HIYJOCPLOQEPFU-UHFFFAOYSA-N 0 0 294.402 3.390 20 10 CGCDRN COc1ccc(O)c(CNc2nc(CC(C)C)ns2)c1 ZINC000302265973 373846017 /nfs/dbraw/zinc/84/60/17/373846017.db2.gz FWSWMHGHBJBANZ-UHFFFAOYSA-N 0 0 293.392 3.063 20 10 CGCDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000302342065 373855269 /nfs/dbraw/zinc/85/52/69/373855269.db2.gz BYITYCDFKURWDB-LLVKDONJSA-N 0 0 286.335 3.229 20 10 CGCDRN C[C@H](Nc1cncc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000302428100 373865949 /nfs/dbraw/zinc/86/59/49/373865949.db2.gz PDCUBFPOLVAQQQ-JTQLQIEISA-N 0 0 276.771 3.369 20 10 CGCDRN Cc1ccc(-c2noc(N(C)Cc3ccccc3O)n2)cc1 ZINC000302665196 373920077 /nfs/dbraw/zinc/92/00/77/373920077.db2.gz PVHKMZYNFYYIMY-UHFFFAOYSA-N 0 0 295.342 3.387 20 10 CGCDRN CC(C)(C)SCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000182541860 374288103 /nfs/dbraw/zinc/28/81/03/374288103.db2.gz OZWCAUNHHJHBSF-UHFFFAOYSA-N 0 0 297.420 3.026 20 10 CGCDRN CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000182904059 374341278 /nfs/dbraw/zinc/34/12/78/374341278.db2.gz IBRLUJANFIDXRZ-KGLIPLIRSA-N 0 0 276.424 3.393 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000183471748 374418082 /nfs/dbraw/zinc/41/80/82/374418082.db2.gz FAZZYUVHRQWNLO-ZDUSSCGKSA-N 0 0 299.370 3.076 20 10 CGCDRN CSC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187727049 375081438 /nfs/dbraw/zinc/08/14/38/375081438.db2.gz UFVSSCDMTZHQNE-HTQZYQBOSA-N 0 0 261.337 3.073 20 10 CGCDRN CCC[N@H+](CC[C@@H]1CCCO1)Cc1ccccc1O ZINC000189480750 375396270 /nfs/dbraw/zinc/39/62/70/375396270.db2.gz QECYSSMENPDCOZ-HNNXBMFYSA-N 0 0 263.381 3.173 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc(Cl)cn1 ZINC000492644084 375449039 /nfs/dbraw/zinc/44/90/39/375449039.db2.gz DEDZAOQDPWUUBU-XQRVVYSFSA-N 0 0 293.779 3.176 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000191579747 375642137 /nfs/dbraw/zinc/64/21/37/375642137.db2.gz FROWQEZJLFPBGN-UHFFFAOYSA-N 0 0 298.386 3.209 20 10 CGCDRN CCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192687479 375778980 /nfs/dbraw/zinc/77/89/80/375778980.db2.gz LPHKDNAMNZRDOI-QMMMGPOBSA-N 0 0 278.179 3.386 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000529641349 375931601 /nfs/dbraw/zinc/93/16/01/375931601.db2.gz QQLMDYKLMTZGAF-OAHLLOKOSA-N 0 0 292.398 3.028 20 10 CGCDRN Cc1ccoc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000266349645 378019097 /nfs/dbraw/zinc/01/90/97/378019097.db2.gz XAJIQHNSAJORHO-XFXZXTDPSA-N 0 0 276.361 3.044 20 10 CGCDRN Cc1cc(C(=O)N2C[C@H](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000267782112 378044366 /nfs/dbraw/zinc/04/43/66/378044366.db2.gz QKQWJIQBOFNWGG-BETUJISGSA-N 0 0 297.402 3.217 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC1 ZINC000266674005 378024741 /nfs/dbraw/zinc/02/47/41/378024741.db2.gz OQIFGRJYLJJNEW-UHFFFAOYSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000269639753 378247340 /nfs/dbraw/zinc/24/73/40/378247340.db2.gz XCFJGAOVEAPZPL-CHWSQXEVSA-N 0 0 287.384 3.182 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C2CC2)no1 ZINC000270898814 378412704 /nfs/dbraw/zinc/41/27/04/378412704.db2.gz QPNRXPMNUQFBDV-UHFFFAOYSA-N 0 0 299.374 3.299 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(CCO)CCCC1 ZINC000271836136 378509629 /nfs/dbraw/zinc/50/96/29/378509629.db2.gz PWICHTYMSUBEKZ-UHFFFAOYSA-N 0 0 283.799 3.078 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000272335027 378615107 /nfs/dbraw/zinc/61/51/07/378615107.db2.gz XHZRWWLDNXHMAE-CQSZACIVSA-N 0 0 260.312 3.197 20 10 CGCDRN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(F)ccc1O ZINC000273359575 378742540 /nfs/dbraw/zinc/74/25/40/378742540.db2.gz AFIGNDRMYYJCTE-LBPRGKRZSA-N 0 0 292.398 3.199 20 10 CGCDRN Cc1cc([C@@H]2CCCN2Cc2cccc(F)c2O)no1 ZINC000371532833 379168352 /nfs/dbraw/zinc/16/83/52/379168352.db2.gz BGCMTMQNECAGLH-AWEZNQCLSA-N 0 0 276.311 3.165 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cc(F)ccc1O ZINC000371871062 379181355 /nfs/dbraw/zinc/18/13/55/379181355.db2.gz WWTOWVLTZGIPHQ-PBXWNFIWSA-N 0 0 293.382 3.386 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCO[C@@H]1C1CC1 ZINC000373372166 379267850 /nfs/dbraw/zinc/26/78/50/379267850.db2.gz ZURJHXUSPNDFJA-CVEARBPZSA-N 0 0 295.810 3.340 20 10 CGCDRN C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000375322814 379493446 /nfs/dbraw/zinc/49/34/46/379493446.db2.gz VPFPRSJFPHXQQC-CQSZACIVSA-N 0 0 298.434 3.136 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CC2(CC2)c2ccccc21 ZINC000281653885 379840791 /nfs/dbraw/zinc/84/07/91/379840791.db2.gz KFEMPVPQTUVJMM-AATRIKPKSA-N 0 0 282.368 3.235 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CO[C@@H](C)CC ZINC000282581905 379948851 /nfs/dbraw/zinc/94/88/51/379948851.db2.gz WCBRPDLCSHHJSY-AWEZNQCLSA-N 0 0 293.407 3.336 20 10 CGCDRN CCCN(CCC)c1ccc(CNc2nnco2)cc1 ZINC000285029478 380143298 /nfs/dbraw/zinc/14/32/98/380143298.db2.gz FYNAHVKAKQMMBW-UHFFFAOYSA-N 0 0 274.368 3.308 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(F)cc1[O-] ZINC000286153157 380168056 /nfs/dbraw/zinc/16/80/56/380168056.db2.gz PNFWABLJFXZUDB-HIFRSBDPSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1[O-] ZINC000286281959 380188191 /nfs/dbraw/zinc/18/81/91/380188191.db2.gz WAONSWMZJWTKSG-KBPBESRZSA-N 0 0 289.354 3.373 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc[nH]c1CC ZINC000285544522 380150937 /nfs/dbraw/zinc/15/09/37/380150937.db2.gz DLZCKVOGVZBMAL-UHFFFAOYSA-N 0 0 286.375 3.335 20 10 CGCDRN CC[C@@H]([NH2+]CCc1ccncc1)c1ccc(F)cc1[O-] ZINC000285904231 380153094 /nfs/dbraw/zinc/15/30/94/380153094.db2.gz CVXYAFDIASCYGR-OAHLLOKOSA-N 0 0 274.339 3.210 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000286022141 380158668 /nfs/dbraw/zinc/15/86/68/380158668.db2.gz IRWOXDAHJROAGO-UKRRQHHQSA-N 0 0 283.387 3.369 20 10 CGCDRN CCOc1cc(NCc2c(C)c3ccccc3n2C)ncn1 ZINC000359850385 381372738 /nfs/dbraw/zinc/37/27/38/381372738.db2.gz UPXMLZHFTFVFKO-UHFFFAOYSA-N 0 0 296.374 3.288 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000368651632 382380141 /nfs/dbraw/zinc/38/01/41/382380141.db2.gz HUBGKBFDXGVISS-YMRXKLBXSA-N 0 0 293.382 3.387 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)c3ccoc3)cc2)CC1 ZINC000108294959 392340321 /nfs/dbraw/zinc/34/03/21/392340321.db2.gz OYSCGJYZSQDSKT-UHFFFAOYSA-N 0 0 298.386 3.446 20 10 CGCDRN COc1cccc(CNc2ncnc3oc(C)c(C)c32)c1O ZINC000119295456 392394955 /nfs/dbraw/zinc/39/49/55/392394955.db2.gz DUFCXAWQIYGROX-UHFFFAOYSA-N 0 0 299.330 3.166 20 10 CGCDRN CCN(CC)c1ccc(CNc2nc(C)ns2)cc1 ZINC000301341617 392587302 /nfs/dbraw/zinc/58/73/02/392587302.db2.gz FSYXBPGYSYIKDG-UHFFFAOYSA-N 0 0 276.409 3.305 20 10 CGCDRN CC(C)CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180723337 392711386 /nfs/dbraw/zinc/71/13/86/392711386.db2.gz YTHKORSOMFNMOP-ZDUSSCGKSA-N 0 0 283.799 3.293 20 10 CGCDRN CC[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000237014025 393034311 /nfs/dbraw/zinc/03/43/11/393034311.db2.gz GCZHGVUFJRJJRI-KRWDZBQOSA-N 0 0 298.386 3.087 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1C=CCC1 ZINC000348701687 393126945 /nfs/dbraw/zinc/12/69/45/393126945.db2.gz RJPFYFZCBXIDRG-AWEZNQCLSA-N 0 0 282.387 3.459 20 10 CGCDRN C[C@@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc2S1 ZINC000493127785 296497507 /nfs/dbraw/zinc/49/75/07/296497507.db2.gz ZVWDGKDHPNRUNN-NNNHXZLVSA-N 0 0 299.399 3.340 20 10 CGCDRN CCOc1cccc(CN(CC(F)F)C2CC2)c1O ZINC000093276542 397641954 /nfs/dbraw/zinc/64/19/54/397641954.db2.gz SZVJBAVYKYDFLZ-UHFFFAOYSA-N 0 0 271.307 3.020 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287797697 286911452 /nfs/dbraw/zinc/91/14/52/286911452.db2.gz TXVXDLVPYLQTTJ-QPUJVOFHSA-N 0 0 292.206 3.368 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cccc(Cl)c1[O-] ZINC000287626927 286909378 /nfs/dbraw/zinc/90/93/78/286909378.db2.gz KCSQVDTYGQPLFS-ZWNOBZJWSA-N 0 0 270.804 3.036 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000287013036 286913017 /nfs/dbraw/zinc/91/30/17/286913017.db2.gz QMPDQGWDYWZYPF-ZWNOBZJWSA-N 0 0 269.772 3.265 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000287872324 286925900 /nfs/dbraw/zinc/92/59/00/286925900.db2.gz XZLRWTXHILAMCZ-ZWNOBZJWSA-N 0 0 269.772 3.265 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(C)n1 ZINC000152403794 261064027 /nfs/dbraw/zinc/06/40/27/261064027.db2.gz MLKJSOBKKBHKHP-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000152489748 261064720 /nfs/dbraw/zinc/06/47/20/261064720.db2.gz FXJXBAUBQUBKOD-IAGOWNOFSA-N 0 0 286.419 3.144 20 10 CGCDRN CC[C@H]1CN(C(=O)c2ccccc2SC)CCS1 ZINC000174760882 261582139 /nfs/dbraw/zinc/58/21/39/261582139.db2.gz SUFKITQXPCPFDZ-NSHDSACASA-N 0 0 281.446 3.376 20 10 CGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCCC1 ZINC000180624481 261867969 /nfs/dbraw/zinc/86/79/69/261867969.db2.gz ADMVTXTXLFUALO-PKNBQFBNSA-N 0 0 289.375 3.292 20 10 CGCDRN C/C(=C\C(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000184312625 262016886 /nfs/dbraw/zinc/01/68/86/262016886.db2.gz FAWUTWZZXZZENA-ZRDIBKRKSA-N 0 0 261.365 3.343 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000185162430 262044302 /nfs/dbraw/zinc/04/43/02/262044302.db2.gz ZSMRMEPXKCLCTK-QLJPJBMISA-N 0 0 293.313 3.055 20 10 CGCDRN Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185346460 262051569 /nfs/dbraw/zinc/05/15/69/262051569.db2.gz LDTOEPFYCKRJQF-VXGBXAGGSA-N 0 0 291.370 3.023 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185644083 262063551 /nfs/dbraw/zinc/06/35/51/262063551.db2.gz QXHACFHGKZDFBT-RLCCDNCMSA-N 0 0 281.371 3.123 20 10 CGCDRN CCC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C ZINC000186407477 262091815 /nfs/dbraw/zinc/09/18/15/262091815.db2.gz VRKIANNVWIAHLL-TZMCWYRMSA-N 0 0 293.407 3.217 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)n[nH]c2C)cc1Cl ZINC000272536190 263005897 /nfs/dbraw/zinc/00/58/97/263005897.db2.gz OBUNMHRTMXZLRY-UHFFFAOYSA-N 0 0 279.771 3.325 20 10 CGCDRN CCOC1CC2(C1)CC[N@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000285146003 263090475 /nfs/dbraw/zinc/09/04/75/263090475.db2.gz OIPMLZTUYVXXSS-UHFFFAOYSA-N 0 0 289.419 3.400 20 10 CGCDRN CSc1cncc(NCc2ccc(N(C)C)cc2C)n1 ZINC000132290607 264387063 /nfs/dbraw/zinc/38/70/63/264387063.db2.gz DGFWPJJNXRCDEQ-UHFFFAOYSA-N 0 0 288.420 3.185 20 10 CGCDRN CC(C)C1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000293703744 264973587 /nfs/dbraw/zinc/97/35/87/264973587.db2.gz MHYMFBHVGKGHIA-JTQLQIEISA-N 0 0 264.325 3.140 20 10 CGCDRN CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000290169368 279372087 /nfs/dbraw/zinc/37/20/87/279372087.db2.gz MNMXGUQCJBJZQJ-MNOVXSKESA-N 0 0 286.366 3.050 20 10 CGCDRN Cc1cc(O)c(CN(CC(F)F)C2CC2)cc1C ZINC000106857301 301369315 /nfs/dbraw/zinc/36/93/15/301369315.db2.gz ZUXSNMBCHUWQDD-UHFFFAOYSA-N 0 0 255.308 3.239 20 10 CGCDRN Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000273607264 327924257 /nfs/dbraw/zinc/92/42/57/327924257.db2.gz UNSVGEIBSSBCQI-QMMMGPOBSA-N 0 0 280.368 3.455 20 10 CGCDRN COc1ccc(N(C)Cc2conc2C)cc1Cl ZINC000293755936 328277507 /nfs/dbraw/zinc/27/75/07/328277507.db2.gz YNKZBFSPMIXHOZ-UHFFFAOYSA-N 0 0 266.728 3.281 20 10 CGCDRN CN(C(=O)/C=C\c1cccnc1)c1cc(F)ccc1F ZINC000255634464 327001130 /nfs/dbraw/zinc/00/11/30/327001130.db2.gz DLUBKTSVFULRDC-DAXSKMNVSA-N 0 0 274.270 3.036 20 10 CGCDRN CCn1nnc(C)c1COc1ccc2c(c1)c(C)c(C)n2C ZINC000421205786 329805648 /nfs/dbraw/zinc/80/56/48/329805648.db2.gz UGQJKNDNRSQXDA-UHFFFAOYSA-N 0 0 298.390 3.294 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3ccn(C)n3)cc12 ZINC000421200366 329807681 /nfs/dbraw/zinc/80/76/81/329807681.db2.gz NRTLHRFIINZGLJ-UHFFFAOYSA-N 0 0 269.348 3.108 20 10 CGCDRN CC(C)c1cccc(N(C)C(=O)/C=C\c2cnccn2)c1 ZINC000491235415 332171599 /nfs/dbraw/zinc/17/15/99/332171599.db2.gz AKWOQQRKCDYTKL-FPLPWBNLSA-N 0 0 281.359 3.276 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000491732052 332313495 /nfs/dbraw/zinc/31/34/95/332313495.db2.gz GOQKIXRARNQAOB-ZHRWSRJISA-N 0 0 298.317 3.048 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1ncccc1C ZINC000492591898 332404813 /nfs/dbraw/zinc/40/48/13/332404813.db2.gz HVFAUXRNDQWKSP-FPLPWBNLSA-N 0 0 281.359 3.160 20 10 CGCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccco1 ZINC000529511705 333492057 /nfs/dbraw/zinc/49/20/57/333492057.db2.gz KJGCMTSJXYLUTP-JTQLQIEISA-N 0 0 293.750 3.449 20 10 CGCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccccc1C ZINC000255011294 334499885 /nfs/dbraw/zinc/49/98/85/334499885.db2.gz GABTVFVHOVCVQQ-KHPPLWFESA-N 0 0 283.375 3.103 20 10 CGCDRN CC(C)[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000263899298 519810818 /nfs/dbraw/zinc/81/08/18/519810818.db2.gz VHIMKRRKBJQHBB-CYBMUJFWSA-N 0 0 262.397 3.051 20 10 CGCDRN COC(=O)c1cnc(SCCOCCC(C)C)s1 ZINC000295392990 522341332 /nfs/dbraw/zinc/34/13/32/522341332.db2.gz VGMCBUYKUSEIMW-UHFFFAOYSA-N 0 0 289.422 3.085 20 10 CGCDRN Cc1ccnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000301297831 534394585 /nfs/dbraw/zinc/39/45/85/534394585.db2.gz YQCHTEBNROWEFZ-UHFFFAOYSA-N 0 0 296.418 3.412 20 10 CGCDRN CC(C)COCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745206 519754064 /nfs/dbraw/zinc/75/40/64/519754064.db2.gz PBPWQDIMOGTRBY-LBPRGKRZSA-N 0 0 269.360 3.245 20 10 CGCDRN CC(C)[C@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276927386 519828940 /nfs/dbraw/zinc/82/89/40/519828940.db2.gz NNHMUKLCRAJMSF-XMZIXOGTSA-N 0 0 299.361 3.382 20 10 CGCDRN CCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000248253850 519905883 /nfs/dbraw/zinc/90/58/83/519905883.db2.gz TXYSBGFAVDPKHI-HNNXBMFYSA-N 0 0 291.391 3.090 20 10 CGCDRN CCCCC[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000073433844 520304784 /nfs/dbraw/zinc/30/47/84/520304784.db2.gz MFPWUAPJUDHNHQ-LBPRGKRZSA-N 0 0 294.395 3.169 20 10 CGCDRN CCC[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000078926149 520601800 /nfs/dbraw/zinc/60/18/00/520601800.db2.gz DJXDHDIHDBAPRT-CYBMUJFWSA-N 0 0 262.397 3.147 20 10 CGCDRN CCC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000236884932 520710817 /nfs/dbraw/zinc/71/08/17/520710817.db2.gz UICBBUSTDVYSHE-SFHVURJKSA-N 0 0 296.414 3.339 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC=CCC2)cc1 ZINC000077642785 522166390 /nfs/dbraw/zinc/16/63/90/522166390.db2.gz MBGRGAFVQRXOAG-HNNXBMFYSA-N 0 0 287.407 3.003 20 10 CGCDRN COC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000211400423 522844563 /nfs/dbraw/zinc/84/45/63/522844563.db2.gz STCDLIXLURNDHX-VIFPVBQESA-N 0 0 290.190 3.167 20 10 CGCDRN COCc1ccccc1NCc1cc(C)ccc1O ZINC000071407229 523125745 /nfs/dbraw/zinc/12/57/45/523125745.db2.gz MHLFGSIXHOIECJ-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(OC)c1O ZINC000280042621 523184087 /nfs/dbraw/zinc/18/40/87/523184087.db2.gz VPLNHSLWYHKVHY-OCCSQVGLSA-N 0 0 291.391 3.233 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C=C(C1CC1)C1CC1 ZINC000268594830 523379323 /nfs/dbraw/zinc/37/93/23/523379323.db2.gz QHKCIXWTQLLJEN-UHFFFAOYSA-N 0 0 271.360 3.097 20 10 CGCDRN CN(c1ccc(CNCc2ncc[nH]2)cc1)C1CCCCC1 ZINC000067695117 523636573 /nfs/dbraw/zinc/63/65/73/523636573.db2.gz DCLKOOWIIRSLOV-UHFFFAOYSA-N 0 0 298.434 3.468 20 10 CGCDRN CN(C)C(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000192731309 524025131 /nfs/dbraw/zinc/02/51/31/524025131.db2.gz IOPMRNPPEASYDC-UHFFFAOYSA-N 0 0 297.402 3.067 20 10 CGCDRN COc1ccc(N(C)CC2CCC(=O)CC2)cc1F ZINC000258928372 524350586 /nfs/dbraw/zinc/35/05/86/524350586.db2.gz ODDSGECUWGCDKA-UHFFFAOYSA-N 0 0 265.328 3.030 20 10 CGCDRN Cc1cccc(CN[C@@H](C2CC2)C(F)(F)F)c1O ZINC000290279808 524435980 /nfs/dbraw/zinc/43/59/80/524435980.db2.gz YZQWIYJNUQVXGA-LBPRGKRZSA-N 0 0 259.271 3.131 20 10 CGCDRN C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000278836799 525317376 /nfs/dbraw/zinc/31/73/76/525317376.db2.gz PGXPAXOFMGMDOS-LBPRGKRZSA-N 0 0 293.382 3.125 20 10 CGCDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(Cl)c1[O-] ZINC000289866975 525419483 /nfs/dbraw/zinc/41/94/83/525419483.db2.gz VQWGWIJFCKPPHK-OCCSQVGLSA-N 0 0 294.826 3.104 20 10 CGCDRN C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000187800204 525444304 /nfs/dbraw/zinc/44/43/04/525444304.db2.gz IXFHLEXCOLQLTO-LLVKDONJSA-N 0 0 292.329 3.349 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000293505720 526332426 /nfs/dbraw/zinc/33/24/26/526332426.db2.gz BUAMRPRRXMUUDE-NSHDSACASA-N 0 0 299.773 3.376 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC=CCC1 ZINC000075160149 526637028 /nfs/dbraw/zinc/63/70/28/526637028.db2.gz CWVPLMAJLNVTNB-CQSZACIVSA-N 0 0 285.387 3.244 20 10 CGCDRN Cc1oc(C(C)C)nc1C(=O)N(C)Cc1ccccc1O ZINC000285843369 526764542 /nfs/dbraw/zinc/76/45/42/526764542.db2.gz YOZHMHWHUOYDNU-UHFFFAOYSA-N 0 0 288.347 3.084 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2C2CCCCC2)cc1 ZINC000037816669 527475758 /nfs/dbraw/zinc/47/57/58/527475758.db2.gz GYLDMBQIVIIPCI-KRWDZBQOSA-N 0 0 286.419 3.383 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000237882982 527475886 /nfs/dbraw/zinc/47/58/86/527475886.db2.gz YUKRWWYDUGLPFU-QGZVFWFLSA-N 0 0 298.361 3.314 20 10 CGCDRN CC(C)CCC[C@H](C)NC(=O)NCc1ccccc1O ZINC000748462692 572977924 /nfs/dbraw/zinc/97/79/24/572977924.db2.gz GTHQTTOXWPQRPX-ZDUSSCGKSA-N 0 0 278.396 3.406 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCC(C)C)c1 ZINC000728977760 571851941 /nfs/dbraw/zinc/85/19/41/571851941.db2.gz CKMIDSOXIGEUGP-NSHDSACASA-N 0 0 265.353 3.014 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)C2CC2)c1 ZINC000728981789 571852362 /nfs/dbraw/zinc/85/23/62/571852362.db2.gz DHOJNPNWKAUXMM-QWRGUYRKSA-N 0 0 277.364 3.014 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(F)c2)c1 ZINC000728984138 571852405 /nfs/dbraw/zinc/85/24/05/571852405.db2.gz LZKJYSCUQXIEOT-SNVBAGLBSA-N 0 0 289.306 3.031 20 10 CGCDRN COc1ccc(N(CCn2cc(C)cn2)CC(C)C)cc1 ZINC000730086068 571947963 /nfs/dbraw/zinc/94/79/63/571947963.db2.gz OAULTPMTVSZJHW-UHFFFAOYSA-N 0 0 287.407 3.363 20 10 CGCDRN COc1ccc2ccc(O)c(CN(C)Cc3ccon3)c2c1 ZINC000739884595 572425719 /nfs/dbraw/zinc/42/57/19/572425719.db2.gz IPWYBEQCCNSITQ-UHFFFAOYSA-N 0 0 298.342 3.174 20 10 CGCDRN CN(Cc1ccc(F)cc1F)C(=O)C1=CC(=O)CS1 ZINC000731867076 572433388 /nfs/dbraw/zinc/43/33/88/572433388.db2.gz DMTCKMOAOSUOOD-UHFFFAOYSA-N 0 0 283.299 3.004 20 10 CGCDRN CC1(C)Oc2ccc(NC(=O)C3=CC(=O)CS3)cc2O1 ZINC000731869250 572433996 /nfs/dbraw/zinc/43/39/96/572433996.db2.gz DNONMOLZMFIHPG-UHFFFAOYSA-N 0 0 291.328 3.213 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2Cc3ccccc32)cc1 ZINC000740740110 572454664 /nfs/dbraw/zinc/45/46/64/572454664.db2.gz OGHCFZJSSKNJIY-SFHVURJKSA-N 0 0 294.398 3.051 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732278199 572458084 /nfs/dbraw/zinc/45/80/84/572458084.db2.gz WSJPNVWGBZDLLJ-VHSXEESVSA-N 0 0 253.367 3.010 20 10 CGCDRN Cc1cc(C)nc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000740871835 572462782 /nfs/dbraw/zinc/46/27/82/572462782.db2.gz OSSGIIDKMHNSDU-UHFFFAOYSA-N 0 0 280.375 3.082 20 10 CGCDRN C[C@@H]1C[C@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000740918470 572468282 /nfs/dbraw/zinc/46/82/82/572468282.db2.gz FTHYEVPBFOMINH-CABCVRRESA-N 0 0 299.418 3.003 20 10 CGCDRN C[C@H](C(=O)NCCCSc1nccs1)c1ccco1 ZINC000741693427 572519577 /nfs/dbraw/zinc/51/95/77/572519577.db2.gz QQDDDDINKVMOMQ-JTQLQIEISA-N 0 0 296.417 3.138 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCCC[C@H]2C)c1 ZINC000734016847 572624395 /nfs/dbraw/zinc/62/43/95/572624395.db2.gz JGOKKHILLSJVEP-OLZOCXBDSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CCNC(=O)C1=CC(=O)CS1 ZINC000734017721 572624676 /nfs/dbraw/zinc/62/46/76/572624676.db2.gz PFQPBEBEIOHSEO-WDEREUQCSA-N 0 0 267.394 3.400 20 10 CGCDRN C[C@@]1(C(=O)NCc2ccccc2O)CCc2ccccc2C1 ZINC000743329614 572647657 /nfs/dbraw/zinc/64/76/57/572647657.db2.gz ZFYRTPJJAIYKJN-LJQANCHMSA-N 0 0 295.382 3.204 20 10 CGCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C1=CC(=O)CS1 ZINC000734554432 572665470 /nfs/dbraw/zinc/66/54/70/572665470.db2.gz BSANUERZVHRPSG-AAEUAGOBSA-N 0 0 287.384 3.472 20 10 CGCDRN C[C@H]1CCC[C@H](CCNC(=O)C2=CC(=O)CS2)C1 ZINC000734558397 572666083 /nfs/dbraw/zinc/66/60/83/572666083.db2.gz SJIHIDQRGKHHDS-WDEREUQCSA-N 0 0 267.394 3.400 20 10 CGCDRN CCN1C(=O)/C(=C/c2cc(C)ccc2F)SC1=S ZINC000734979486 572694566 /nfs/dbraw/zinc/69/45/66/572694566.db2.gz QKUMNUJLTYIISC-XFFZJAGNSA-N 0 0 281.377 3.355 20 10 CGCDRN Cc1ccc(C(=O)OC[C@@H](C)c2ccccc2)c(O)c1O ZINC000735136458 572701725 /nfs/dbraw/zinc/70/17/25/572701725.db2.gz ASBZTRCANJUDBK-GFCCVEGCSA-N 0 0 286.327 3.367 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000745789052 572837351 /nfs/dbraw/zinc/83/73/51/572837351.db2.gz AFVFZXCEFDHIRP-KCQAQPDRSA-N 0 0 288.391 3.160 20 10 CGCDRN COc1ccc(N(Cc2nnc(C)o2)CC(C)C)cc1 ZINC000746170751 572858803 /nfs/dbraw/zinc/85/88/03/572858803.db2.gz CAHMEJUDYFYJIF-UHFFFAOYSA-N 0 0 275.352 3.049 20 10 CGCDRN COc1ccc(N(Cc2cnc(C)nc2)CC(C)C)cc1 ZINC000746171169 572859505 /nfs/dbraw/zinc/85/95/05/572859505.db2.gz SIPYSUMVFUAMMK-UHFFFAOYSA-N 0 0 285.391 3.456 20 10 CGCDRN Cc1nc(C(C)C)sc1C(=O)Nc1ccc(N)cc1 ZINC000746478657 572873168 /nfs/dbraw/zinc/87/31/68/572873168.db2.gz JTRSUIODWBOAQO-UHFFFAOYSA-N 0 0 275.377 3.409 20 10 CGCDRN Fc1cnc(NCc2ccc(N3CCCCC3)cc2)nc1 ZINC000746690926 572892356 /nfs/dbraw/zinc/89/23/56/572892356.db2.gz POUFFUIWTTZFAV-UHFFFAOYSA-N 0 0 286.354 3.218 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000749392132 572996719 /nfs/dbraw/zinc/99/67/19/572996719.db2.gz RMEJLZSGFCIEJA-UHFFFAOYSA-N 0 0 286.375 3.201 20 10 CGCDRN CC[C@H](C)Oc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000750238377 573103751 /nfs/dbraw/zinc/10/37/51/573103751.db2.gz GDSZYRLRHJKOLY-ZDUSSCGKSA-N 0 0 299.370 3.500 20 10 CGCDRN O=C([O-])c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000819676064 597137629 /nfs/dbraw/zinc/13/76/29/597137629.db2.gz GXUJFCMBDDWJAI-UHFFFAOYSA-N 0 0 291.734 3.034 20 10 CGCDRN CC[C@H](Nc1cn(C)nc1OC)c1cccc(Cl)c1O ZINC000806162423 617737415 /nfs/dbraw/zinc/73/74/15/617737415.db2.gz WSPAGIFNIGXYQZ-NSHDSACASA-N 0 0 295.770 3.351 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)COC)c1cccc(Cl)c1[O-] ZINC000806125739 617787901 /nfs/dbraw/zinc/78/79/01/617787901.db2.gz FHGOOFDJZNCOLG-JOYOIKCWSA-N 0 0 257.761 3.121 20 10 CGCDRN C[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759373 617815237 /nfs/dbraw/zinc/81/52/37/617815237.db2.gz AHZBJZCTJZXKLS-GHMZBOCLSA-N 0 0 281.783 3.488 20 10 CGCDRN CC/C(C)=C(\C)C(=O)NCc1cccc(Cl)c1O ZINC000890759836 617816415 /nfs/dbraw/zinc/81/64/15/617816415.db2.gz RTICGDPMRUCRSZ-MDZDMXLPSA-N 0 0 267.756 3.408 20 10 CGCDRN CCN(CC)c1ccc(CNc2nc(C3CC3)no2)cc1 ZINC000076684032 618005523 /nfs/dbraw/zinc/00/55/23/618005523.db2.gz URVYJCYBBIUOPW-UHFFFAOYSA-N 0 0 286.379 3.405 20 10 CGCDRN CCC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000083469795 618066134 /nfs/dbraw/zinc/06/61/34/618066134.db2.gz CBRCIJIYMJSTJU-CYBMUJFWSA-N 0 0 292.206 3.340 20 10 CGCDRN C[C@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(N)cc1 ZINC000308703923 618349397 /nfs/dbraw/zinc/34/93/97/618349397.db2.gz HPOYWJKLURNAOZ-NHYWBVRUSA-N 0 0 261.369 3.359 20 10 CGCDRN COc1ccc(O)c(CNc2cccnc2OC(C)C)c1 ZINC000048761277 618627021 /nfs/dbraw/zinc/62/70/21/618627021.db2.gz URPWPQQWEDKDFY-UHFFFAOYSA-N 0 0 288.347 3.195 20 10 CGCDRN COc1ccc(CNc2cccc(F)c2C)c(O)c1OC ZINC000892325146 618686902 /nfs/dbraw/zinc/68/69/02/618686902.db2.gz GJKROAWNMMPTFJ-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN COc1ccc(O)c(CNc2cc(C)nc(C3CCC3)n2)c1 ZINC000892532190 618850159 /nfs/dbraw/zinc/85/01/59/618850159.db2.gz KCOXHRLKHALYLG-UHFFFAOYSA-N 0 0 299.374 3.379 20 10 CGCDRN C[C@H]([NH2+]C1CCSCC1)c1ccc(F)cc1[O-] ZINC000168830896 618914138 /nfs/dbraw/zinc/91/41/38/618914138.db2.gz VAILQZKVDRZGMY-VIFPVBQESA-N 0 0 255.358 3.078 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccccc2F)cc1 ZINC000008171482 618943489 /nfs/dbraw/zinc/94/34/89/618943489.db2.gz VANVMJXLUJQZNA-FMIVXFBMSA-N 0 0 298.361 3.221 20 10 CGCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC000180582600 619017387 /nfs/dbraw/zinc/01/73/87/619017387.db2.gz SWEGWVFCNNBPBC-VMPITWQZSA-N 0 0 283.327 3.367 20 10 CGCDRN Cc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180593927 619017393 /nfs/dbraw/zinc/01/73/93/619017393.db2.gz BEMPUIFUMRZAOV-CSKARUKUSA-N 0 0 297.354 3.078 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000103855352 619096566 /nfs/dbraw/zinc/09/65/66/619096566.db2.gz QVFIVYJESHNSGN-LLVKDONJSA-N 0 0 298.342 3.032 20 10 CGCDRN Cc1cc(O)c(C[N@H+](C)CCOCC2CC2)c(Cl)c1 ZINC000840917658 619135206 /nfs/dbraw/zinc/13/52/06/619135206.db2.gz WCRMFQQENMBNHO-UHFFFAOYSA-N 0 0 283.799 3.212 20 10 CGCDRN COc1ccccc1Sc1ncc([N+](=O)[O-])s1 ZINC000195511298 619149926 /nfs/dbraw/zinc/14/99/26/619149926.db2.gz VNUFJDJLGRRBAN-UHFFFAOYSA-N 0 0 268.319 3.211 20 10 CGCDRN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCCc2ccccc21 ZINC000314128067 619216353 /nfs/dbraw/zinc/21/63/53/619216353.db2.gz QJVXHYDOFZRFBG-SFHVURJKSA-N 0 0 294.398 3.347 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCS1 ZINC000162870735 619220920 /nfs/dbraw/zinc/22/09/20/619220920.db2.gz SMYNSHIEZIZJMS-SNVBAGLBSA-N 0 0 257.786 3.031 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(Cl)s2)cc1 ZINC000094194856 619239233 /nfs/dbraw/zinc/23/92/33/619239233.db2.gz LHHBHYYSCWUSAD-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN Cc1ccc(F)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000029704464 619245651 /nfs/dbraw/zinc/24/56/51/619245651.db2.gz HATOLNIJRUEMRR-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN CSCC[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894038751 619355827 /nfs/dbraw/zinc/35/58/27/619355827.db2.gz FOXMFOUQQCAMHP-SECBINFHSA-N 0 0 275.364 3.244 20 10 CGCDRN CC[N@H+](CCc1nccs1)Cc1cc(F)cc(F)c1[O-] ZINC000894072551 619367450 /nfs/dbraw/zinc/36/74/50/619367450.db2.gz KQODJGRJMBCZKK-UHFFFAOYSA-N 0 0 298.358 3.192 20 10 CGCDRN CN(C(=O)c1cc2c(s1)CCCC2)c1ccc(N)cc1 ZINC000020373766 619808364 /nfs/dbraw/zinc/80/83/64/619808364.db2.gz BTGOSNVVSPVNOJ-UHFFFAOYSA-N 0 0 286.400 3.486 20 10 CGCDRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(N)cc1 ZINC000841299016 619836738 /nfs/dbraw/zinc/83/67/38/619836738.db2.gz FEIMLZRTFBVDHM-LALPHHSUSA-N 0 0 273.380 3.454 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCC2(COC2)CC1 ZINC000895695125 619869883 /nfs/dbraw/zinc/86/98/83/619869883.db2.gz RAWGORCHWNHOCK-UHFFFAOYSA-N 0 0 299.773 3.234 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000895790699 619886144 /nfs/dbraw/zinc/88/61/44/619886144.db2.gz KJSOPVSYBFGYSP-LBPRGKRZSA-N 0 0 299.773 3.234 20 10 CGCDRN CC(C)(C)c1nnc(NCc2c(O)cccc2F)s1 ZINC000895833162 619894427 /nfs/dbraw/zinc/89/44/27/619894427.db2.gz VJLHLUPTCVPNAH-UHFFFAOYSA-N 0 0 281.356 3.292 20 10 CGCDRN CC(C)[C@H](NC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000895858997 619898394 /nfs/dbraw/zinc/89/83/94/619898394.db2.gz YWWRHUGCKKTONC-ZDUSSCGKSA-N 0 0 296.798 3.279 20 10 CGCDRN C[C@@H]1CCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896187465 619964018 /nfs/dbraw/zinc/96/40/18/619964018.db2.gz PBUSPCMLVHFYGY-PSASIEDQSA-N 0 0 291.372 3.231 20 10 CGCDRN CC[C@H](C)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896290642 619989529 /nfs/dbraw/zinc/98/95/29/619989529.db2.gz NVUXJXNEXXFJPA-VIFPVBQESA-N 0 0 293.388 3.431 20 10 CGCDRN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCC1 ZINC000896507965 620019863 /nfs/dbraw/zinc/01/98/63/620019863.db2.gz ICRWFOXUYHAUJS-UHFFFAOYSA-N 0 0 291.372 3.327 20 10 CGCDRN CCOc1cccc(F)c1CNCc1c(O)cccc1F ZINC000896643293 620039947 /nfs/dbraw/zinc/03/99/47/620039947.db2.gz UPGHGODEQDYSGQ-UHFFFAOYSA-N 0 0 293.313 3.359 20 10 CGCDRN CC(C)(/C=C\Cl)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000896748701 620055684 /nfs/dbraw/zinc/05/56/84/620055684.db2.gz XSIKTOYYJXARCX-WAYWQWQTSA-N 0 0 261.699 3.291 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897037389 620124224 /nfs/dbraw/zinc/12/42/24/620124224.db2.gz YMVSCUPKGKHKOH-UHFFFAOYSA-N 0 0 295.810 3.173 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000310537310 620140758 /nfs/dbraw/zinc/14/07/58/620140758.db2.gz BCKZQZJCBZLIOQ-VIFPVBQESA-N 0 0 261.699 3.323 20 10 CGCDRN O=C(NCc1c(O)cccc1F)[C@@H](c1ccccc1)C1CC1 ZINC000928706493 620207872 /nfs/dbraw/zinc/20/78/72/620207872.db2.gz URMBXSRSUFJMTR-KRWDZBQOSA-N 0 0 299.345 3.341 20 10 CGCDRN CCCc1occc1C(=O)NCc1c(O)cccc1F ZINC000928708684 620208344 /nfs/dbraw/zinc/20/83/44/620208344.db2.gz QAWXQWZQGKAEKO-UHFFFAOYSA-N 0 0 277.295 3.007 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(Cl)cc1[O-] ZINC000841758788 620405684 /nfs/dbraw/zinc/40/56/84/620405684.db2.gz VGYLYXQBIRTONT-WDEREUQCSA-N 0 0 271.788 3.247 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC2(CC2)C1 ZINC000897790602 620431633 /nfs/dbraw/zinc/43/16/33/620431633.db2.gz SOKFOVNABUZDII-CQSZACIVSA-N 0 0 288.391 3.256 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000898112455 620479320 /nfs/dbraw/zinc/47/93/20/620479320.db2.gz RPJWYJLRLDKNMF-ZDUSSCGKSA-N 0 0 281.783 3.237 20 10 CGCDRN CCO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000898215572 620488747 /nfs/dbraw/zinc/48/87/47/620488747.db2.gz NYXBTGYXXZUKFJ-OLZOCXBDSA-N 0 0 283.799 3.483 20 10 CGCDRN Cc1ncccc1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000898253825 620498079 /nfs/dbraw/zinc/49/80/79/620498079.db2.gz WBMJVVLIGZCTAS-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000898222257 620498452 /nfs/dbraw/zinc/49/84/52/620498452.db2.gz DTRHWWGFYWDOND-NOZJJQNGSA-N 0 0 253.292 3.115 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000898260524 620500258 /nfs/dbraw/zinc/50/02/58/620500258.db2.gz GNJNXLDYJSAQRT-TVYUQYBPSA-N 0 0 294.782 3.033 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866499146 620536270 /nfs/dbraw/zinc/53/62/70/620536270.db2.gz FXMDVPLNCLBPIO-WQGWLQIFSA-N 0 0 263.234 3.133 20 10 CGCDRN COC[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000927096381 620574681 /nfs/dbraw/zinc/57/46/81/620574681.db2.gz WQKZYPDARCKOAG-RYUDHWBXSA-N 0 0 269.360 3.101 20 10 CGCDRN CC1CC(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899042570 620617135 /nfs/dbraw/zinc/61/71/35/620617135.db2.gz PKKZBACFCVZSSA-UHFFFAOYSA-N 0 0 291.372 3.088 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(F)=C(\C)C2CC2)c1 ZINC000901127844 620834911 /nfs/dbraw/zinc/83/49/11/620834911.db2.gz NFUHYARUGLGQRO-XBDQXEDDSA-N 0 0 293.338 3.232 20 10 CGCDRN CCOC(=O)[C@@H]1C[C@H]1CSc1ncc(Cl)s1 ZINC000901582899 620946986 /nfs/dbraw/zinc/94/69/86/620946986.db2.gz NUHACNOWPQILMR-NKWVEPMBSA-N 0 0 277.798 3.088 20 10 CGCDRN CN(C)c1ccc(CNc2cncnc2)c(C(F)(F)F)c1 ZINC000902155809 621175105 /nfs/dbraw/zinc/17/51/05/621175105.db2.gz BGKSZPWPUDSRGN-UHFFFAOYSA-N 0 0 296.296 3.174 20 10 CGCDRN CC[C@H]([NH2+]Cc1csc(N)n1)c1cccc(Cl)c1[O-] ZINC000902498699 621345324 /nfs/dbraw/zinc/34/53/24/621345324.db2.gz IPQCIGGQUOONEV-NSHDSACASA-N 0 0 297.811 3.325 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000903265052 621649435 /nfs/dbraw/zinc/64/94/35/621649435.db2.gz OVDOLPAVCVYFBT-HUBLWGQQSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1c([O-])cccc1F ZINC000903298842 621666639 /nfs/dbraw/zinc/66/66/39/621666639.db2.gz YEXYAYKELQHVQO-FZMZJTMJSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(F)cc1[O-] ZINC000903446709 621758445 /nfs/dbraw/zinc/75/84/45/621758445.db2.gz RHNZJDNDHJAKEA-LLVKDONJSA-N 0 0 299.411 3.094 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@](C)(O)C(F)F ZINC000905892458 622122176 /nfs/dbraw/zinc/12/21/76/622122176.db2.gz XBZCXBROPJJIKS-CQSZACIVSA-N 0 0 298.358 3.195 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C3CC3)CCC2)c1 ZINC000907061208 622280206 /nfs/dbraw/zinc/28/02/06/622280206.db2.gz SSSRFARTXOBXOX-NSHDSACASA-N 0 0 289.375 3.158 20 10 CGCDRN CCCCC[C@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910951845 622509989 /nfs/dbraw/zinc/50/99/89/622509989.db2.gz WIZOWZROBYFCHP-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN CCC[C@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910953421 622510387 /nfs/dbraw/zinc/51/03/87/622510387.db2.gz AYLMHWDIILIRAH-INIZCTEOSA-N 0 0 299.370 3.298 20 10 CGCDRN CC(C)Cc1ncc(C(=O)Nc2ccc(N)cc2)s1 ZINC000911659508 622541166 /nfs/dbraw/zinc/54/11/66/622541166.db2.gz AOOWZAKISGQUCM-UHFFFAOYSA-N 0 0 275.377 3.176 20 10 CGCDRN CCOc1cccc(NCc2cccc(OCC)c2O)n1 ZINC000150993539 622714085 /nfs/dbraw/zinc/71/40/85/622714085.db2.gz PDKMAWHJCYKWBB-UHFFFAOYSA-N 0 0 288.347 3.197 20 10 CGCDRN Cc1cc(C)c(O)c(CN(C)Cc2cscn2)c1 ZINC000164204984 622819893 /nfs/dbraw/zinc/81/98/93/622819893.db2.gz IAKKNNWXFIVVLW-UHFFFAOYSA-N 0 0 262.378 3.098 20 10 CGCDRN NC(=O)Nc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000158057056 622994227 /nfs/dbraw/zinc/99/42/27/622994227.db2.gz AKKHRSLJESQSIX-UHFFFAOYSA-N 0 0 291.738 3.148 20 10 CGCDRN COCCc1ccccc1NCc1cccc(F)c1O ZINC000228075265 623039395 /nfs/dbraw/zinc/03/93/95/623039395.db2.gz MYWCVEVGRVKMLK-UHFFFAOYSA-N 0 0 275.323 3.332 20 10 CGCDRN CC1(C)CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000087658733 623138084 /nfs/dbraw/zinc/13/80/84/623138084.db2.gz XIJAZHIKACRANT-UHFFFAOYSA-N 0 0 261.369 3.313 20 10 CGCDRN C[C@@H](NCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000229595915 623147381 /nfs/dbraw/zinc/14/73/81/623147381.db2.gz ZGNRGSQFBAZCMD-SECBINFHSA-N 0 0 278.293 3.304 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000088432868 623447618 /nfs/dbraw/zinc/44/76/18/623447618.db2.gz BSCMUTZPWOSBIF-SECBINFHSA-N 0 0 287.285 3.075 20 10 CGCDRN C/C(=C(\F)C(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000913763372 623576051 /nfs/dbraw/zinc/57/60/51/623576051.db2.gz DTHVXPSLOSRNJS-RSYJBZMQSA-N 0 0 263.312 3.223 20 10 CGCDRN CN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1O ZINC000193499331 623959887 /nfs/dbraw/zinc/95/98/87/623959887.db2.gz VKCBQGWDHGGENG-CQSZACIVSA-N 0 0 288.734 3.242 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)OCCC(F)(F)F ZINC000867463063 624003814 /nfs/dbraw/zinc/00/38/14/624003814.db2.gz DLXXZVJKRMTCLR-UHFFFAOYSA-N 0 0 297.660 3.224 20 10 CGCDRN FC(F)(F)[C@H]1CC[C@@H](CSc2nccs2)O1 ZINC000916758897 624212278 /nfs/dbraw/zinc/21/22/78/624212278.db2.gz BAEPUYDFVWDSHY-NKWVEPMBSA-N 0 0 269.313 3.345 20 10 CGCDRN CCCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000917384123 624266090 /nfs/dbraw/zinc/26/60/90/624266090.db2.gz SXPSUBJJWAPARV-UHFFFAOYSA-N 0 0 292.448 3.046 20 10 CGCDRN CCN(CC)c1ccc(C=Cc2n[nH]cc2C=O)cc1 ZINC000920070437 624444911 /nfs/dbraw/zinc/44/49/11/624444911.db2.gz SYBNARKKRZFSSG-JXMROGBWSA-N 0 0 269.348 3.239 20 10 CGCDRN CCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000175607256 624650962 /nfs/dbraw/zinc/65/09/62/624650962.db2.gz BAZCPVTWFAOJCD-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN Cc1cc(C(=O)NC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000068049752 624675317 /nfs/dbraw/zinc/67/53/17/624675317.db2.gz BAFLQVWDMOUPIZ-UHFFFAOYSA-N 0 0 274.339 3.371 20 10 CGCDRN COc1ccc(N(C)Cc2c[nH]nc2C(C)(C)C)cc1F ZINC000180774051 624770997 /nfs/dbraw/zinc/77/09/97/624770997.db2.gz VGXAQTXIOZIWKM-UHFFFAOYSA-N 0 0 291.370 3.491 20 10 CGCDRN CC(C)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180910899 624780867 /nfs/dbraw/zinc/78/08/67/624780867.db2.gz ZEUDUSOYDPUUFQ-XBXARRHUSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1ccnc(NCc2ccc(N3CC=CC3)cc2)c1C#N ZINC000181918588 624912731 /nfs/dbraw/zinc/91/27/31/624912731.db2.gz WMHVMMCAQXDXOL-UHFFFAOYSA-N 0 0 290.370 3.250 20 10 CGCDRN CCN(Cc1cc(Br)ccc1O)CC(F)F ZINC000076118554 625052864 /nfs/dbraw/zinc/05/28/64/625052864.db2.gz DDQQRQUKRNANKT-UHFFFAOYSA-N 0 0 294.139 3.242 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(-n3ccnc3)c2)c1 ZINC000071407242 625086225 /nfs/dbraw/zinc/08/62/25/625086225.db2.gz CPZSZIAXYCRJAK-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN CC(C)c1cc(CNCc2ccc3c(c2)CCCO3)on1 ZINC000921740384 625858234 /nfs/dbraw/zinc/85/82/34/625858234.db2.gz JILGPMWJKLDVJE-UHFFFAOYSA-N 0 0 286.375 3.413 20 10 CGCDRN Cc1nnc(NC/C=C\c2ccc(N(C)C)cc2)n1C1CC1 ZINC000922663014 626027554 /nfs/dbraw/zinc/02/75/54/626027554.db2.gz BTMGUSYEKFUTJW-PLNGDYQASA-N 0 0 297.406 3.113 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000922833531 626052570 /nfs/dbraw/zinc/05/25/70/626052570.db2.gz IYRAXVCJCVSURD-LDYMZIIASA-N 0 0 273.348 3.044 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H](C)F ZINC000838620338 626239363 /nfs/dbraw/zinc/23/93/63/626239363.db2.gz WSSYLDFGXXKZAQ-GFCCVEGCSA-N 0 0 282.359 3.062 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000839191985 626328786 /nfs/dbraw/zinc/32/87/86/626328786.db2.gz RISSKIAQTBNHFQ-DFAYQTQMSA-N 0 0 269.747 3.463 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806139078 626362546 /nfs/dbraw/zinc/36/25/46/626362546.db2.gz IFOJXJSCBCFQOX-UKRRQHHQSA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@H](N(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC000873961173 634498749 /nfs/dbraw/zinc/49/87/49/634498749.db2.gz JLASCPKQRREATL-JTQLQIEISA-N 0 0 290.367 3.356 20 10 CGCDRN CS/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000751565912 626396361 /nfs/dbraw/zinc/39/63/61/626396361.db2.gz KGEQIQBTXJCTDW-KHPPLWFESA-N 0 0 292.448 3.366 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CC2(C)C)C2CC2)cc1 ZINC000751590319 626397886 /nfs/dbraw/zinc/39/78/86/626397886.db2.gz UFBIAYFFSQNWJY-INIZCTEOSA-N 0 0 286.419 3.290 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C23CCC(CC2)C3)c1 ZINC000752595213 626433493 /nfs/dbraw/zinc/43/34/93/626433493.db2.gz CKIGZLATLUQTIY-DLGFLZQMSA-N 0 0 289.375 3.158 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C12CCC(CC1)C2 ZINC000752600195 626433752 /nfs/dbraw/zinc/43/37/52/626433752.db2.gz LESYPLLEQBAIDR-UHFFFAOYSA-N 0 0 299.414 3.468 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc[nH]2)cc1 ZINC000752760287 626438078 /nfs/dbraw/zinc/43/80/78/626438078.db2.gz RGIYXFVVRSNAGN-UHFFFAOYSA-N 0 0 285.391 3.133 20 10 CGCDRN CCOc1ccc(N(C)CC[C@H]2CCCCO2)cc1 ZINC000754042133 626472878 /nfs/dbraw/zinc/47/28/78/626472878.db2.gz GROBUFWUAFKQSX-OAHLLOKOSA-N 0 0 263.381 3.481 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(F)cc(F)c1[O-] ZINC000756355650 626694925 /nfs/dbraw/zinc/69/49/25/626694925.db2.gz QFIJFJGBLIUYOA-VHSXEESVSA-N 0 0 278.302 3.477 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756408156 626702224 /nfs/dbraw/zinc/70/22/24/626702224.db2.gz KLNACEIJOZCPBQ-SNVBAGLBSA-N 0 0 281.302 3.465 20 10 CGCDRN C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000756465645 626707571 /nfs/dbraw/zinc/70/75/71/626707571.db2.gz KGVHGYZXRPOXBL-LLVKDONJSA-N 0 0 293.313 3.400 20 10 CGCDRN Cc1occc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756483660 626708937 /nfs/dbraw/zinc/70/89/37/626708937.db2.gz UHKTYXKYWITZST-VIFPVBQESA-N 0 0 276.292 3.053 20 10 CGCDRN CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1C ZINC000756533552 626713266 /nfs/dbraw/zinc/71/32/66/626713266.db2.gz DWUMAVGOQKYLLA-JTQLQIEISA-N 0 0 291.370 3.215 20 10 CGCDRN C[C@H]([NH2+]CC1(CO)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756637034 626722817 /nfs/dbraw/zinc/72/28/17/626722817.db2.gz LEOBYPXWDMDJPS-QMMMGPOBSA-N 0 0 290.190 3.122 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CCCO)c1cc(F)cc(F)c1[O-] ZINC000756664718 626725971 /nfs/dbraw/zinc/72/59/71/626725971.db2.gz PBUWBGAIFMPVKS-SNVBAGLBSA-N 0 0 287.350 3.120 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000756737760 626728536 /nfs/dbraw/zinc/72/85/36/626728536.db2.gz AYPNWGLBKONBRH-LLVKDONJSA-N 0 0 277.364 3.020 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC2CC2)c1 ZINC000756734638 626728594 /nfs/dbraw/zinc/72/85/94/626728594.db2.gz ZFJONXSCGDLYGM-LLVKDONJSA-N 0 0 277.364 3.020 20 10 CGCDRN C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756738379 626728664 /nfs/dbraw/zinc/72/86/64/626728664.db2.gz GPNAYEUFGOEFKR-LLVKDONJSA-N 0 0 299.361 3.264 20 10 CGCDRN CCc1nn(C)cc1N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756856703 626737759 /nfs/dbraw/zinc/73/77/59/626737759.db2.gz HNEMSSMVQPIPDP-BXKDBHETSA-N 0 0 289.354 3.488 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000756851255 626737986 /nfs/dbraw/zinc/73/79/86/626737986.db2.gz QXWHIPBREFWSOY-ONGXEEELSA-N 0 0 299.317 3.017 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cc(OC)cc(C)n1 ZINC000757087107 626753621 /nfs/dbraw/zinc/75/36/21/626753621.db2.gz LVMKVWWNELRHFQ-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCC(C)C)c1 ZINC000103508832 626763891 /nfs/dbraw/zinc/76/38/91/626763891.db2.gz YDUMAKWZSRKHND-LBPRGKRZSA-N 0 0 294.395 3.197 20 10 CGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CC[C@@H](C)O1)CCC2 ZINC000839656757 626770847 /nfs/dbraw/zinc/77/08/47/626770847.db2.gz RXNWPSAPCAVNEJ-TZMCWYRMSA-N 0 0 291.391 3.024 20 10 CGCDRN CC1(C)CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000757664810 626798864 /nfs/dbraw/zinc/79/88/64/626798864.db2.gz KPMXIOWICXKAHY-CQSZACIVSA-N 0 0 276.380 3.160 20 10 CGCDRN CCC(C)(C)C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000758482348 626845917 /nfs/dbraw/zinc/84/59/17/626845917.db2.gz QYRHPUAJDFOURC-UHFFFAOYSA-N 0 0 286.759 3.480 20 10 CGCDRN CC1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874294091 634532959 /nfs/dbraw/zinc/53/29/59/634532959.db2.gz CGMCHBSDFRXWCI-UHFFFAOYSA-N 0 0 288.351 3.111 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760042163 626937942 /nfs/dbraw/zinc/93/79/42/626937942.db2.gz TYZARXRSEOHBIC-HZMBPMFUSA-N 0 0 276.336 3.284 20 10 CGCDRN O=C(Nc1n[nH]c2c1cccc2Cl)C1=CC(=O)CS1 ZINC000760786265 626992550 /nfs/dbraw/zinc/99/25/50/626992550.db2.gz SXWBIMMLTSZCOE-UHFFFAOYSA-N 0 0 293.735 3.236 20 10 CGCDRN COc1ccc(N(Cc2ncc(C)cn2)CC(C)C)cc1 ZINC000760855032 626996781 /nfs/dbraw/zinc/99/67/81/626996781.db2.gz IRLQIODDVSHYFF-UHFFFAOYSA-N 0 0 285.391 3.456 20 10 CGCDRN O=C1NC(=S)S/C1=C/c1ccc(C(F)(F)F)s1 ZINC000761375305 627036795 /nfs/dbraw/zinc/03/67/95/627036795.db2.gz HKRMZNBPAYJJJV-HWKANZROSA-N 0 0 295.332 3.256 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C\c1ccsc1 ZINC000761746662 627059215 /nfs/dbraw/zinc/05/92/15/627059215.db2.gz XULNGWQQFBFUMS-SREVYHEPSA-N 0 0 273.357 3.126 20 10 CGCDRN Cc1ccc(O)c(CN2C[C@H](C)Oc3ccccc32)c1 ZINC000765649362 627265154 /nfs/dbraw/zinc/26/51/54/627265154.db2.gz HXOSUGBFFNDTSE-ZDUSSCGKSA-N 0 0 269.344 3.488 20 10 CGCDRN CCc1cc(C)nc(N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000766076453 627292566 /nfs/dbraw/zinc/29/25/66/627292566.db2.gz IGVIRQVUZFYETL-LLVKDONJSA-N 0 0 287.363 3.235 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCSC ZINC000766269430 627306972 /nfs/dbraw/zinc/30/69/72/627306972.db2.gz KIGCHYGPZVBWKI-UHFFFAOYSA-N 0 0 251.395 3.201 20 10 CGCDRN C[C@H]1c2cccn2CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000768163117 627465182 /nfs/dbraw/zinc/46/51/82/627465182.db2.gz UISRVMLOINKSPV-ZDUSSCGKSA-N 0 0 287.382 3.270 20 10 CGCDRN CC(C)[C@@H](C)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768270372 627471422 /nfs/dbraw/zinc/47/14/22/627471422.db2.gz ZECZPHFCTSUWKM-SECBINFHSA-N 0 0 286.759 3.430 20 10 CGCDRN C[C@H](CCC1CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000768967172 627512691 /nfs/dbraw/zinc/51/26/91/627512691.db2.gz KPEKERDJIXQBMG-CYBMUJFWSA-N 0 0 289.423 3.131 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C(C)C ZINC000771892877 627742057 /nfs/dbraw/zinc/74/20/57/627742057.db2.gz HHWAKMZNKDJEJD-DLBZAZTESA-N 0 0 288.435 3.393 20 10 CGCDRN C[C@@H](Nc1ncc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000772299742 627783152 /nfs/dbraw/zinc/78/31/52/627783152.db2.gz GUEDCNKTNPMCHM-SNVBAGLBSA-N 0 0 276.771 3.369 20 10 CGCDRN COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773009801 627841502 /nfs/dbraw/zinc/84/15/02/627841502.db2.gz RDPPSFQXCWCIRK-CYBMUJFWSA-N 0 0 298.386 3.252 20 10 CGCDRN C[C@@H](NC(=O)CCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000773013263 627842709 /nfs/dbraw/zinc/84/27/09/627842709.db2.gz WFQOVTUMZPGSCO-LLVKDONJSA-N 0 0 284.350 3.365 20 10 CGCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000773373157 627875669 /nfs/dbraw/zinc/87/56/69/627875669.db2.gz ZICAWZFEQZDEJK-STQMWFEESA-N 0 0 289.423 3.159 20 10 CGCDRN C[C@@H](NC(=O)NCCC1CCC1)c1ccc(N(C)C)cc1 ZINC000773375782 627876685 /nfs/dbraw/zinc/87/66/85/627876685.db2.gz LXKVGDFCJZSYQM-CYBMUJFWSA-N 0 0 289.423 3.303 20 10 CGCDRN C[C@@H](NC(=O)N(C)CCC1CC1)c1ccc(N(C)C)cc1 ZINC000773627476 627901417 /nfs/dbraw/zinc/90/14/17/627901417.db2.gz XZIAQQWHKGVGOX-CYBMUJFWSA-N 0 0 289.423 3.255 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160741 627954021 /nfs/dbraw/zinc/95/40/21/627954021.db2.gz APFBDNADLXHAMH-RKDXNWHRSA-N 0 0 289.206 3.054 20 10 CGCDRN CCC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)OCC ZINC000774480063 627996299 /nfs/dbraw/zinc/99/62/99/627996299.db2.gz ZYCOFXHUYDNLRV-XJKSGUPXSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775638572 628118429 /nfs/dbraw/zinc/11/84/29/628118429.db2.gz LKVGXPCMNROPQB-VIFPVBQESA-N 0 0 257.736 3.417 20 10 CGCDRN CCOC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775654157 628119987 /nfs/dbraw/zinc/11/99/87/628119987.db2.gz UADVHJKPXOVNPL-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@@H]1C[NH+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775706797 628127641 /nfs/dbraw/zinc/12/76/41/628127641.db2.gz DMOVULRLISRBEP-RKDXNWHRSA-N 0 0 257.736 3.273 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000775736029 628131352 /nfs/dbraw/zinc/13/13/52/628131352.db2.gz JLWVDBCWHHHCCS-GXTWGEPZSA-N 0 0 281.783 3.047 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000776174854 628176171 /nfs/dbraw/zinc/17/61/71/628176171.db2.gz HXFUWQFXALCKBM-AWEZNQCLSA-N 0 0 295.741 3.008 20 10 CGCDRN C[C@@H](NC(=O)NC1(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000776239291 628183880 /nfs/dbraw/zinc/18/38/80/628183880.db2.gz OSGNBRSDLKFDDU-GFCCVEGCSA-N 0 0 287.407 3.055 20 10 CGCDRN CCCN(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776250062 628184745 /nfs/dbraw/zinc/18/47/45/628184745.db2.gz RWKGVJYLDHOUKV-CYBMUJFWSA-N 0 0 277.412 3.255 20 10 CGCDRN Oc1cc2c(cc1CN1CCC(F)(F)C1)CCCC2 ZINC000776293753 628190128 /nfs/dbraw/zinc/19/01/28/628190128.db2.gz UDECGRSOCQOSKF-UHFFFAOYSA-N 0 0 267.319 3.112 20 10 CGCDRN Cc1ccc(C[C@@H](C)NC(=O)c2cccc(O)c2O)c(C)c1 ZINC000776649157 628224441 /nfs/dbraw/zinc/22/44/41/628224441.db2.gz BMTCQUUYJPMPCY-CYBMUJFWSA-N 0 0 299.370 3.076 20 10 CGCDRN CC1(C)CCC[C@@H](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000778915938 628378340 /nfs/dbraw/zinc/37/83/40/628378340.db2.gz YOQGYYCWLMKVJG-LBPRGKRZSA-N 0 0 291.391 3.321 20 10 CGCDRN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1F ZINC000779147675 628390355 /nfs/dbraw/zinc/39/03/55/628390355.db2.gz AYSOVHJRSGAGNU-FZMZJTMJSA-N 0 0 268.351 3.072 20 10 CGCDRN CC(C)CN(C(=O)/C=C/c1cncc(O)c1)c1ccccc1 ZINC000779661738 628419455 /nfs/dbraw/zinc/41/94/55/628419455.db2.gz ZSJPZIJHGXLGGD-CMDGGOBGSA-N 0 0 296.370 3.490 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1cccc(C)c1 ZINC000779653771 628419546 /nfs/dbraw/zinc/41/95/46/628419546.db2.gz XPIGJUONVIOTBI-BQYQJAHWSA-N 0 0 282.343 3.162 20 10 CGCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000779883080 628439661 /nfs/dbraw/zinc/43/96/61/628439661.db2.gz BNCFNRQSKOFYCC-KGLIPLIRSA-N 0 0 288.435 3.367 20 10 CGCDRN COc1cccc(CN2CCCc3ccc(F)cc32)c1O ZINC000780770168 628516218 /nfs/dbraw/zinc/51/62/18/628516218.db2.gz INYUBRWBZMVIEA-UHFFFAOYSA-N 0 0 287.334 3.493 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCO[C@H](C)C2)cc1F ZINC000780779615 628516563 /nfs/dbraw/zinc/51/65/63/628516563.db2.gz PICVDYDJYGFLNW-VXGBXAGGSA-N 0 0 267.344 3.086 20 10 CGCDRN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C1=CC(=O)CS1 ZINC000780813874 628519679 /nfs/dbraw/zinc/51/96/79/628519679.db2.gz NNBBLVDEFVDHOU-SFYZADRCSA-N 0 0 293.310 3.257 20 10 CGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(O)c1 ZINC000780901433 628522500 /nfs/dbraw/zinc/52/25/00/628522500.db2.gz HMBMHLNDHVWATN-UHFFFAOYSA-N 0 0 282.343 3.245 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H]2CC(C)C)c(O)c1O ZINC000780917292 628523905 /nfs/dbraw/zinc/52/39/05/628523905.db2.gz QFEDXNUTOJVXFE-LBPRGKRZSA-N 0 0 277.364 3.057 20 10 CGCDRN CC[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000780950639 628526186 /nfs/dbraw/zinc/52/61/86/628526186.db2.gz SXOBVTFYGWDNKU-NEPJUHHUSA-N 0 0 277.364 3.105 20 10 CGCDRN Cc1ccc(C(=O)N[C@H]2CCCCC2(C)C)c(O)c1O ZINC000780966238 628527011 /nfs/dbraw/zinc/52/70/11/628527011.db2.gz CEDSDJLPOQSVQX-LBPRGKRZSA-N 0 0 277.364 3.105 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccco2)c1 ZINC000781623336 628580903 /nfs/dbraw/zinc/58/09/03/628580903.db2.gz BUBURCSUWOGMRM-UHFFFAOYSA-N 0 0 296.164 3.346 20 10 CGCDRN C[C@H](NC(=O)NCC1CCCCC1)c1ccccc1O ZINC000874980338 634667457 /nfs/dbraw/zinc/66/74/57/634667457.db2.gz DUZGDFBQGXMDQB-LBPRGKRZSA-N 0 0 276.380 3.333 20 10 CGCDRN CC(C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000781793615 628594220 /nfs/dbraw/zinc/59/42/20/628594220.db2.gz AWRPRRDFEMTAAX-IQCBXXCUSA-N 0 0 289.375 3.006 20 10 CGCDRN CC(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000781793616 628594311 /nfs/dbraw/zinc/59/43/11/628594311.db2.gz AWRPRRDFEMTAAX-IZPAUZPXSA-N 0 0 289.375 3.006 20 10 CGCDRN Cc1cc2cc[nH]c2cc1NC(=O)C1=CC(=O)CS1 ZINC000782044824 628612769 /nfs/dbraw/zinc/61/27/69/628612769.db2.gz DSKFLSVGXWMGIO-UHFFFAOYSA-N 0 0 272.329 3.496 20 10 CGCDRN CCN(Cc1cnoc1C)c1ccc(OC)c(OC)c1 ZINC000782511808 628651309 /nfs/dbraw/zinc/65/13/09/628651309.db2.gz CEHQYOCMMRTYSZ-UHFFFAOYSA-N 0 0 276.336 3.027 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](F)C(C)C)cc1F ZINC000784150683 628788221 /nfs/dbraw/zinc/78/82/21/628788221.db2.gz YNWKNXSPFCWXLK-OAHLLOKOSA-N 0 0 298.377 3.282 20 10 CGCDRN C[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000785555332 628870891 /nfs/dbraw/zinc/87/08/91/628870891.db2.gz WTHDPDODOQWEIT-WCQYABFASA-N 0 0 278.352 3.359 20 10 CGCDRN CC1(C)CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000785635727 628876493 /nfs/dbraw/zinc/87/64/93/628876493.db2.gz XRNYMBAEIUSKLP-FWPCIQOSSA-N 0 0 289.375 3.196 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc(Cl)c1[O-] ZINC000806149917 628913778 /nfs/dbraw/zinc/91/37/78/628913778.db2.gz ZHNDCPCMMPPBBZ-SMDDNHRTSA-N 0 0 283.799 3.247 20 10 CGCDRN CC(C)[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788662902 629070785 /nfs/dbraw/zinc/07/07/85/629070785.db2.gz DZWGOENGLBYNND-SKDRFNHKSA-N 0 0 291.313 3.079 20 10 CGCDRN CCN(C[C@@H]1CC[C@H](C)O1)c1ccc(OC)c(OC)c1 ZINC000789343015 629125367 /nfs/dbraw/zinc/12/53/67/629125367.db2.gz OVFZXHFZWRBJSN-JSGCOSHPSA-N 0 0 279.380 3.098 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc(-c2cc[nH]n2)o1 ZINC000789723487 629164861 /nfs/dbraw/zinc/16/48/61/629164861.db2.gz QMNDNLNQXDLMSU-UHFFFAOYSA-N 0 0 295.342 3.241 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(Cl)nc1C ZINC000789776457 629166925 /nfs/dbraw/zinc/16/69/25/629166925.db2.gz FNIMXBQWKVHUJU-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976846 629245527 /nfs/dbraw/zinc/24/55/27/629245527.db2.gz MYAOVKWAADHXFR-UWVGGRQHSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@@H](NC(=O)NCC1CCC(F)CC1)c1ccccc1O ZINC000875690176 634722349 /nfs/dbraw/zinc/72/23/49/634722349.db2.gz GIEVRZMZFZBRQC-PNESKVBLSA-N 0 0 294.370 3.281 20 10 CGCDRN Cc1c[nH]c(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000862346867 629346342 /nfs/dbraw/zinc/34/63/42/629346342.db2.gz DKBZBQZGAFBHAE-UHFFFAOYSA-N 0 0 259.353 3.142 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792777040 629381032 /nfs/dbraw/zinc/38/10/32/629381032.db2.gz LMOFTIXZXISHSH-GFCCVEGCSA-N 0 0 294.395 3.169 20 10 CGCDRN CC(C)CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000862480769 629384912 /nfs/dbraw/zinc/38/49/12/629384912.db2.gz JQGFJWLUNOJEAL-LBPRGKRZSA-N 0 0 289.778 3.071 20 10 CGCDRN COCc1ccc(NCc2cc(F)ccc2O)cc1OC ZINC000862536187 629395080 /nfs/dbraw/zinc/39/50/80/629395080.db2.gz FSOPBSSNTNCIAC-UHFFFAOYSA-N 0 0 291.322 3.298 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Cc2cccc(C3CC3)c2)c1 ZINC000862754325 629429096 /nfs/dbraw/zinc/42/90/96/629429096.db2.gz 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CO[C@@](C)(C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000812734699 631299334 /nfs/dbraw/zinc/29/93/34/631299334.db2.gz QZDMQFBZYXTOIK-PSLIRLAXSA-N 0 0 285.334 3.136 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC000876532004 634851709 /nfs/dbraw/zinc/85/17/09/634851709.db2.gz AKBCKNJPYNZDQT-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN COC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000813603119 631442972 /nfs/dbraw/zinc/44/29/72/631442972.db2.gz RCPXZMMKZYTNKY-GFCCVEGCSA-N 0 0 299.374 3.107 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000813793258 631461940 /nfs/dbraw/zinc/46/19/40/631461940.db2.gz MTASTRPBUYKJQO-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000814177798 631537979 /nfs/dbraw/zinc/53/79/79/631537979.db2.gz OZRAGHACXHBWNG-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cc[nH]c(=O)c1 ZINC000815147882 631730527 /nfs/dbraw/zinc/73/05/27/631730527.db2.gz HLEOGFHXHZESSJ-QMMMGPOBSA-N 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633088304 /nfs/dbraw/zinc/08/83/04/633088304.db2.gz OWQRHVZTZAFYDL-SDDRHHMPSA-N 0 0 296.461 3.178 20 10 CGCDRN CCC[C@H](CCO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000866415496 633128047 /nfs/dbraw/zinc/12/80/47/633128047.db2.gz WOWXMMPLHSDAAF-OCCSQVGLSA-N 0 0 269.360 3.123 20 10 CGCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000866478571 633150513 /nfs/dbraw/zinc/15/05/13/633150513.db2.gz JTTWQSDETWGSHH-SNVBAGLBSA-N 0 0 276.292 3.053 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000866512655 633169033 /nfs/dbraw/zinc/16/90/33/633169033.db2.gz NNARIOKURKFHSW-PPHDSNJXSA-N 0 0 293.382 3.387 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccncc1C ZINC000824131445 633200638 /nfs/dbraw/zinc/20/06/38/633200638.db2.gz UEITVFVEBSAPJA-UHFFFAOYSA-N 0 0 268.360 3.351 20 10 CGCDRN CCC(F)(F)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000824261766 633219804 /nfs/dbraw/zinc/21/98/04/633219804.db2.gz LNNUDTGMKDCWLE-UHFFFAOYSA-N 0 0 296.361 3.338 20 10 CGCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000866634678 633223243 /nfs/dbraw/zinc/22/32/43/633223243.db2.gz SQVLIAIMCPVRQW-JFGNBEQYSA-N 0 0 271.788 3.246 20 10 CGCDRN CCC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000824544427 633258541 /nfs/dbraw/zinc/25/85/41/633258541.db2.gz XPOQEGUTNQNAIW-LLVKDONJSA-N 0 0 275.751 3.089 20 10 CGCDRN COC[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824583282 633261581 /nfs/dbraw/zinc/26/15/81/633261581.db2.gz KRDCLJVXTXHPMG-AWEZNQCLSA-N 0 0 287.762 3.043 20 10 CGCDRN COC[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824583284 633262183 /nfs/dbraw/zinc/26/21/83/633262183.db2.gz KRDCLJVXTXHPMG-CQSZACIVSA-N 0 0 287.762 3.043 20 10 CGCDRN CCc1nc(CN(C)c2ccc(OC)c(F)c2)cs1 ZINC000121779651 633263193 /nfs/dbraw/zinc/26/31/93/633263193.db2.gz YSZSAHGCPJWQJF-UHFFFAOYSA-N 0 0 280.368 3.490 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000824596764 633263599 /nfs/dbraw/zinc/26/35/99/633263599.db2.gz LEIMVSPGXUEHJB-TVQRCGJNSA-N 0 0 289.778 3.335 20 10 CGCDRN CC[C@@H](C)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868139792 633298436 /nfs/dbraw/zinc/29/84/36/633298436.db2.gz FNEJIRQPPBXWMD-IJLUTSLNSA-N 0 0 264.369 3.187 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1Cl ZINC000824920611 633305826 /nfs/dbraw/zinc/30/58/26/633305826.db2.gz SLYUOZGXGAZDGW-IUODEOHRSA-N 0 0 295.810 3.355 20 10 CGCDRN C[C@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccccc1O ZINC000868396803 633320848 /nfs/dbraw/zinc/32/08/48/633320848.db2.gz OCEKHAABUIIFTG-XHDPSFHLSA-N 0 0 294.420 3.038 20 10 CGCDRN CC1(C2([NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000825124371 633330691 /nfs/dbraw/zinc/33/06/91/633330691.db2.gz OKKMEEXMULJAIY-UHFFFAOYSA-N 0 0 296.754 3.376 20 10 CGCDRN C[C@H](NC(=O)NCC1CC(C)(C)C1)c1ccccc1O ZINC000868525640 633332649 /nfs/dbraw/zinc/33/26/49/633332649.db2.gz BCANDVVYEHAHAT-NSHDSACASA-N 0 0 276.380 3.189 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000825290448 633342620 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C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C2 ZINC000827017654 633448689 /nfs/dbraw/zinc/44/86/89/633448689.db2.gz HNMAEUGHTMKWGB-GASCZTMLSA-N 0 0 299.773 3.043 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000827167014 633466430 /nfs/dbraw/zinc/46/64/30/633466430.db2.gz MSVJCQHRPBQATR-AEGPPILISA-N 0 0 273.376 3.143 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCc1ccco1 ZINC000827674587 633509558 /nfs/dbraw/zinc/50/95/58/633509558.db2.gz SRGQKVGRQKZFAC-UHFFFAOYSA-N 0 0 265.740 3.361 20 10 CGCDRN CC(C)(C)C(F)(F)CNCc1cc(F)ccc1O ZINC000827722522 633512370 /nfs/dbraw/zinc/51/23/70/633512370.db2.gz LNAKCPVPINZTFC-UHFFFAOYSA-N 0 0 261.287 3.302 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1O ZINC000827923443 633534615 /nfs/dbraw/zinc/53/46/15/633534615.db2.gz QFNNFIQAVJYBDQ-GFCCVEGCSA-N 0 0 281.355 3.372 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1ccccc1O ZINC000827940360 633537429 /nfs/dbraw/zinc/53/74/29/633537429.db2.gz BYIWVELCIDWLMJ-DGCLKSJQSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1ccccc1O ZINC000827952279 633539050 /nfs/dbraw/zinc/53/90/50/633539050.db2.gz MHXVZHYRQUDKHR-XFBWCDHKSA-N 0 0 297.354 3.079 20 10 CGCDRN C[C@H](NC(=O)[C@]1(C)CCc2ccccc21)c1ccccc1O ZINC000827959669 633540352 /nfs/dbraw/zinc/54/03/52/633540352.db2.gz DROCNTPBSPWWEL-ORAYPTAESA-N 0 0 295.382 3.474 20 10 CGCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)c1ccncc1 ZINC000827957341 633540514 /nfs/dbraw/zinc/54/05/14/633540514.db2.gz ULNFCLJPNCDKEV-STQMWFEESA-N 0 0 284.359 3.158 20 10 CGCDRN C[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1O ZINC000827964029 633541893 /nfs/dbraw/zinc/54/18/93/633541893.db2.gz GEFWFDKVAHGXGX-NSHDSACASA-N 0 0 284.359 3.090 20 10 CGCDRN C[C@H](NC(=O)[C@H](C)OCc1ccccc1)c1ccccc1O ZINC000827970123 633542759 /nfs/dbraw/zinc/54/27/59/633542759.db2.gz WWGHHYGPFGATNQ-KBPBESRZSA-N 0 0 299.370 3.175 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000827972879 633542816 /nfs/dbraw/zinc/54/28/16/633542816.db2.gz CAIBAFYORYQRLH-AVGNSLFASA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)c1scnc1C1CC1)c1ccccc1O ZINC000827972994 633543023 /nfs/dbraw/zinc/54/30/23/633543023.db2.gz FLFCCZGNZRTPHQ-VIFPVBQESA-N 0 0 288.372 3.217 20 10 CGCDRN CCN(CCC[C@H]1CCOC1)c1ccc(OC)c(OC)c1 ZINC000828031415 633551302 /nfs/dbraw/zinc/55/13/02/633551302.db2.gz SKNBGHYHNIEEJR-AWEZNQCLSA-N 0 0 293.407 3.347 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000828885042 633665186 /nfs/dbraw/zinc/66/51/86/633665186.db2.gz RUJCUSWWWJPHEU-TZMCWYRMSA-N 0 0 293.407 3.217 20 10 CGCDRN C/C(=C/C(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204679 633724589 /nfs/dbraw/zinc/72/45/89/633724589.db2.gz OWBYUEHSSVBZLP-FLIBITNWSA-N 0 0 259.349 3.227 20 10 CGCDRN C[C@H]1CC(C(=O)N2Cc3cccc(O)c3C2)C[C@H](C)C1 ZINC000871205067 633725113 /nfs/dbraw/zinc/72/51/13/633725113.db2.gz VECKWTQAKCFBDJ-VXGBXAGGSA-N 0 0 273.376 3.307 20 10 CGCDRN O=C(N1Cc2cccc(O)c2C1)C1(C(F)(F)F)CCCC1 ZINC000871206294 633726297 /nfs/dbraw/zinc/72/62/97/633726297.db2.gz YVCDPLIWGROGAP-UHFFFAOYSA-N 0 0 299.292 3.357 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871206165 633726545 /nfs/dbraw/zinc/72/65/45/633726545.db2.gz UMKOSLGEMRZIPT-QWHCGFSZSA-N 0 0 273.376 3.307 20 10 CGCDRN CC/C(C)=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000829816559 633797007 /nfs/dbraw/zinc/79/70/07/633797007.db2.gz DDEFCBRWXZWYLV-HHQWOOOKSA-N 0 0 260.381 3.286 20 10 CGCDRN CC(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)=C1CCC1 ZINC000829818553 633797710 /nfs/dbraw/zinc/79/77/10/633797710.db2.gz YGTNRXXJIYJEOV-CYBMUJFWSA-N 0 0 272.392 3.430 20 10 CGCDRN CSc1cc(C)c(C(=O)N(C)Cc2ccccc2O)o1 ZINC000830141218 633831866 /nfs/dbraw/zinc/83/18/66/633831866.db2.gz OWIHCZGUMIIIAL-UHFFFAOYSA-N 0 0 291.372 3.288 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CC2(CC2)C1 ZINC000830559640 633870757 /nfs/dbraw/zinc/87/07/57/633870757.db2.gz QRRJJMAQYPDEFA-UHFFFAOYSA-N 0 0 285.387 3.077 20 10 CGCDRN CC(C)Nc1ccccc1NCc1nsc(N(C)C)n1 ZINC000871846384 633891531 /nfs/dbraw/zinc/89/15/31/633891531.db2.gz YWZMSLRRJPFDHG-UHFFFAOYSA-N 0 0 291.424 3.037 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@@H]2CC=C(C(=O)[O-])C2)cc1C ZINC000871874460 633905826 /nfs/dbraw/zinc/90/58/26/633905826.db2.gz OZDCSLZDLBMITF-OAHLLOKOSA-N 0 0 289.375 3.047 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@@H](CC2CC2)C(=O)[O-])cc1C ZINC000871874574 633905870 /nfs/dbraw/zinc/90/58/70/633905870.db2.gz SBPJGUFWSRTMQF-HNNXBMFYSA-N 0 0 291.391 3.127 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(O)c1 ZINC000831032485 633911889 /nfs/dbraw/zinc/91/18/89/633911889.db2.gz DVQNBCIZGCUSSZ-FRRDWIJNSA-N 0 0 291.391 3.089 20 10 CGCDRN Cc1ccc(C)c(CN(C)C(=O)Cc2ccc(N)cc2)c1 ZINC000832078581 634028215 /nfs/dbraw/zinc/02/82/15/634028215.db2.gz WQVLORSCGNDPKK-UHFFFAOYSA-N 0 0 282.387 3.087 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cc(F)cc(F)c1[O-] ZINC000872110133 634035972 /nfs/dbraw/zinc/03/59/72/634035972.db2.gz VWCRPZZVKSUUHN-HOZXKAFVSA-N 0 0 297.345 3.279 20 10 CGCDRN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000872133839 634056018 /nfs/dbraw/zinc/05/60/18/634056018.db2.gz PCKIEXIEYZHDHO-ONGXEEELSA-N 0 0 275.327 3.042 20 10 CGCDRN Cc1ccc(OCCN(C)c2ccc(N)cc2)cc1 ZINC000019727597 634219215 /nfs/dbraw/zinc/21/92/15/634219215.db2.gz FTUSTFNDELMCDL-UHFFFAOYSA-N 0 0 256.349 3.092 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(Cl)c1[O-] ZINC000834830830 634252086 /nfs/dbraw/zinc/25/20/86/634252086.db2.gz GWGLXXDCTNWARW-STQMWFEESA-N 0 0 291.782 3.428 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834855803 634258517 /nfs/dbraw/zinc/25/85/17/634258517.db2.gz GSBZSCZPNRIPLN-PKFCDNJMSA-N 0 0 287.350 3.382 20 10 CGCDRN CCOc1ccc(O)c(CNCc2ncc(Cl)s2)c1 ZINC000873164865 634267899 /nfs/dbraw/zinc/26/78/99/634267899.db2.gz FVKMRWZFVUCTJN-UHFFFAOYSA-N 0 0 298.795 3.191 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834892102 634269923 /nfs/dbraw/zinc/26/99/23/634269923.db2.gz AYOQTJYEMSCMKA-MWODSPESSA-N 0 0 293.317 3.224 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834892103 634270242 /nfs/dbraw/zinc/27/02/42/634270242.db2.gz AYOQTJYEMSCMKA-RVBZMBCESA-N 0 0 293.317 3.224 20 10 CGCDRN CSCC[C@H](C)[N@H+](C)Cc1ccc(C)cc1O ZINC000876753940 634892530 /nfs/dbraw/zinc/89/25/30/634892530.db2.gz KTUDXHANFONCIU-LBPRGKRZSA-N 0 0 253.411 3.274 20 10 CGCDRN CC(C)[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000876758106 634893919 /nfs/dbraw/zinc/89/39/19/634893919.db2.gz IMBPODMPVGSITL-UHFFFAOYSA-N 0 0 255.308 3.433 20 10 CGCDRN C[C@H]([N@H+](C)Cc1ccc(F)c(F)c1[O-])C1(C)CC1 ZINC000876805915 634901684 /nfs/dbraw/zinc/90/16/84/634901684.db2.gz IGZYROLCYLNXGR-VIFPVBQESA-N 0 0 255.308 3.291 20 10 CGCDRN COCc1ccccc1NCc1ccc(C)cc1O ZINC000876842394 634914020 /nfs/dbraw/zinc/91/40/20/634914020.db2.gz BHWRSWRVRDWPAS-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN C[C@H](COc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876975977 634942144 /nfs/dbraw/zinc/94/21/44/634942144.db2.gz KMMJHVCBVVOLSQ-LLVKDONJSA-N 0 0 293.313 3.228 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCC(F)(F)C1 ZINC000837589463 634943843 /nfs/dbraw/zinc/94/38/43/634943843.db2.gz ZRRAYWYBIBDUEQ-JRBALWBOSA-N 0 0 298.285 3.090 20 10 CGCDRN CN(Cc1ccc(Cl)s1)C(=O)c1cccc(O)c1O ZINC000126288409 634952557 /nfs/dbraw/zinc/95/25/57/634952557.db2.gz WLPCHSWYEDVBMW-UHFFFAOYSA-N 0 0 297.763 3.085 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccncc1 ZINC000877059558 634966768 /nfs/dbraw/zinc/96/67/68/634966768.db2.gz YTPZJPVPNVDLNL-CYBMUJFWSA-N 0 0 278.302 3.306 20 10 CGCDRN CN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc(N)cc1 ZINC000877078573 634975332 /nfs/dbraw/zinc/97/53/32/634975332.db2.gz VFOWZWHQNCJLBV-ZDUSSCGKSA-N 0 0 296.370 3.188 20 10 CGCDRN C[C@H]1CCC[C@H](CC(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078286 634975537 /nfs/dbraw/zinc/97/55/37/634975537.db2.gz KYZHZZOARDRDQG-STQMWFEESA-N 0 0 260.381 3.448 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCOC3(CCCC3)C2)ccc(F)c1F ZINC000877086957 634980659 /nfs/dbraw/zinc/98/06/59/634980659.db2.gz CQYFRPLUSQNSRB-LBPRGKRZSA-N 0 0 297.345 3.252 20 10 CGCDRN CCOCCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000877110266 634986027 /nfs/dbraw/zinc/98/60/27/634986027.db2.gz OJYWHPXEBWUHIJ-UHFFFAOYSA-N 0 0 299.361 3.357 20 10 CGCDRN C/C=C/C=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840558484 635022776 /nfs/dbraw/zinc/02/27/76/635022776.db2.gz YRDCFQQIVAODBA-ADQPNCNWSA-N 0 0 286.419 3.241 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(OC2COC2)cc1 ZINC000877460577 635045245 /nfs/dbraw/zinc/04/52/45/635045245.db2.gz VMTVUOBARVEFJK-UHFFFAOYSA-N 0 0 285.343 3.090 20 10 CGCDRN Cc1cccc2c1C(=O)N[C@@H](c1ccc(N(C)C)cc1C)N2 ZINC000840788084 635053372 /nfs/dbraw/zinc/05/33/72/635053372.db2.gz LXTJZFXFLHDBBC-KRWDZBQOSA-N 0 0 295.386 3.224 20 10 CGCDRN CCCc1nnc(NCc2ccc(N(C)C)cc2C)o1 ZINC000840878185 635071352 /nfs/dbraw/zinc/07/13/52/635071352.db2.gz AVGHUCMIHHKSQY-UHFFFAOYSA-N 0 0 274.368 3.009 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ncn(C(C)(C)C)n1 ZINC000840882409 635073134 /nfs/dbraw/zinc/07/31/34/635073134.db2.gz NVATVPOOBJYKSJ-UHFFFAOYSA-N 0 0 287.411 3.020 20 10 CGCDRN COC1([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000840970881 635097051 /nfs/dbraw/zinc/09/70/51/635097051.db2.gz ZCJOHDJAGZBDOA-SECBINFHSA-N 0 0 287.762 3.232 20 10 CGCDRN CC(C)OCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000840973302 635097811 /nfs/dbraw/zinc/09/78/11/635097811.db2.gz IGOKONALJJNKLX-UHFFFAOYSA-N 0 0 289.778 3.478 20 10 CGCDRN CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299875 635149538 /nfs/dbraw/zinc/14/95/38/635149538.db2.gz JIMZDPSMZLAPHN-HNNXBMFYSA-N 0 0 284.363 3.279 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000877778319 635200225 /nfs/dbraw/zinc/20/02/25/635200225.db2.gz MKVBPIMATQXHBP-LBPRGKRZSA-N 0 0 295.745 3.006 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877806895 635211122 /nfs/dbraw/zinc/21/11/22/635211122.db2.gz SCFROMBWOSMSSZ-OSMZGAPFSA-N 0 0 281.783 3.093 20 10 CGCDRN C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841748336 635223820 /nfs/dbraw/zinc/22/38/20/635223820.db2.gz KSXRHXDYPPIVFJ-JTQLQIEISA-N 0 0 298.814 3.001 20 10 CGCDRN CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747919 635224036 /nfs/dbraw/zinc/22/40/36/635224036.db2.gz UWWKUTZTHZLUJE-UWVGGRQHSA-N 0 0 257.761 3.121 20 10 CGCDRN C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755566 635229587 /nfs/dbraw/zinc/22/95/87/635229587.db2.gz JHRAPQRTCKCWRW-QWRGUYRKSA-N 0 0 271.788 3.105 20 10 CGCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CC(C)C ZINC000841755614 635230024 /nfs/dbraw/zinc/23/00/24/635230024.db2.gz KJLUZBBLHHKSHV-AAEUAGOBSA-N 0 0 269.360 3.243 20 10 CGCDRN CCc1nnc(CN[C@H](C)c2ccc(Cl)cc2O)s1 ZINC000841758330 635232140 /nfs/dbraw/zinc/23/21/40/635232140.db2.gz SHIBIHYECCABLD-MRVPVSSYSA-N 0 0 297.811 3.310 20 10 CGCDRN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000841822682 635239308 /nfs/dbraw/zinc/23/93/08/635239308.db2.gz PUDSKXHYNBVFBE-UHFFFAOYSA-N 0 0 299.370 3.300 20 10 CGCDRN C[C@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841886073 635246169 /nfs/dbraw/zinc/24/61/69/635246169.db2.gz XNZIKUIIZNFFQM-BBRMVZONSA-N 0 0 289.423 3.079 20 10 CGCDRN CC[C@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841905997 635251771 /nfs/dbraw/zinc/25/17/71/635251771.db2.gz BEKCOXXBZKVMEF-SAZUREKKSA-N 0 0 289.423 3.079 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(F)cc1[O-] ZINC000842930278 635514992 /nfs/dbraw/zinc/51/49/92/635514992.db2.gz TVZKOAKKOPGULP-TVYUQYBPSA-N 0 0 269.385 3.466 20 10 CGCDRN Nc1ccc(Cc2noc(COC3CCCCC3)n2)cc1 ZINC000843159452 635589329 /nfs/dbraw/zinc/58/93/29/635589329.db2.gz PRXORFXARYWQGA-UHFFFAOYSA-N 0 0 287.363 3.092 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@H]2C[C@@H](OC)C2)cc1 ZINC000878674584 635601101 /nfs/dbraw/zinc/60/11/01/635601101.db2.gz CEXFPBVQUUCOQO-KDYLLFBJSA-N 0 0 275.392 3.337 20 10 CGCDRN Cc1ccc(C2(C(=O)NCc3ccc(N)cc3)CCC2)cc1 ZINC000843256119 635627658 /nfs/dbraw/zinc/62/76/58/635627658.db2.gz DLAKUDYUXYDQNK-UHFFFAOYSA-N 0 0 294.398 3.315 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419644 635664986 /nfs/dbraw/zinc/66/49/86/635664986.db2.gz NEBXIMJOTVWMSC-ZDUSSCGKSA-N 0 0 288.778 3.430 20 10 CGCDRN CCOc1ccc(N(Cc2noc(C)n2)CC2CC2)cc1 ZINC000879118717 635707322 /nfs/dbraw/zinc/70/73/22/635707322.db2.gz JHVINNITIYUORS-UHFFFAOYSA-N 0 0 287.363 3.193 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CO[C@@H](C)C2)cc1 ZINC000843733439 635766822 /nfs/dbraw/zinc/76/68/22/635766822.db2.gz SRQFAJCRMLPSBX-HOCLYGCPSA-N 0 0 298.386 3.001 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000843833038 635786445 /nfs/dbraw/zinc/78/64/45/635786445.db2.gz ONGYXIYZCOFFLQ-QWHCGFSZSA-N 0 0 261.365 3.081 20 10 CGCDRN O=C(NCc1ccccc1O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000843833860 635786455 /nfs/dbraw/zinc/78/64/55/635786455.db2.gz XXOMJYHMGIVQMV-LSDHHAIUSA-N 0 0 273.376 3.225 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/C2CCCC2)c1 ZINC000843830137 635787116 /nfs/dbraw/zinc/78/71/16/635787116.db2.gz CUKNJKMAJULSFE-PMDBQALLSA-N 0 0 289.375 3.324 20 10 CGCDRN CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647911 635825115 /nfs/dbraw/zinc/82/51/15/635825115.db2.gz QMXPSJYQRCIQHO-UONOGXRCSA-N 0 0 292.423 3.128 20 10 CGCDRN CCOC(=O)[C@H](N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000879650821 635827846 /nfs/dbraw/zinc/82/78/46/635827846.db2.gz REIBSSGFHOIMIH-SUMWQHHRSA-N 0 0 299.370 3.347 20 10 CGCDRN CN1C(=O)/C(=C\c2cccc3c2CCC3)SC1=S ZINC000844267970 635850770 /nfs/dbraw/zinc/85/07/70/635850770.db2.gz MNNLYZTUTWFFMY-XYOKQWHBSA-N 0 0 275.398 3.006 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C1CCC1 ZINC000845191085 636013486 /nfs/dbraw/zinc/01/34/86/636013486.db2.gz FDAWECHTOZPJJT-ZWKOTPCHSA-N 0 0 298.430 3.339 20 10 CGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000128477154 636013601 /nfs/dbraw/zinc/01/36/01/636013601.db2.gz VIXOWMMVFQVJPC-MWLCHTKSSA-N 0 0 284.197 3.433 20 10 CGCDRN COC/C(C)=C/C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000845605077 636055401 /nfs/dbraw/zinc/05/54/01/636055401.db2.gz KFFNLGSJPKUDBW-DHZHZOJOSA-N 0 0 287.359 3.293 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846116473 636147017 /nfs/dbraw/zinc/14/70/17/636147017.db2.gz IEFCKOIXVXWWSH-GFCCVEGCSA-N 0 0 273.710 3.277 20 10 CGCDRN COCc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000846214217 636160173 /nfs/dbraw/zinc/16/01/73/636160173.db2.gz YHJZCMONSONHFG-CYBMUJFWSA-N 0 0 285.391 3.467 20 10 CGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473506 636186895 /nfs/dbraw/zinc/18/68/95/636186895.db2.gz MNJWTTVIKBRMIP-WFASDCNBSA-N 0 0 281.783 3.344 20 10 CGCDRN CC(F)(F)CCC(=O)NCc1cc(Cl)ccc1O ZINC000846473720 636187062 /nfs/dbraw/zinc/18/70/62/636187062.db2.gz VYJMOTAJNOFKFX-UHFFFAOYSA-N 0 0 277.698 3.097 20 10 CGCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000846474807 636187985 /nfs/dbraw/zinc/18/79/85/636187985.db2.gz BXLLAEXDGTZCEC-SECBINFHSA-N 0 0 269.772 3.344 20 10 CGCDRN C[C@@H]1CCC[C@@]1(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475313 636188025 /nfs/dbraw/zinc/18/80/25/636188025.db2.gz BYWGYGYJYWLJQZ-MEBBXXQBSA-N 0 0 281.783 3.488 20 10 CGCDRN CC[C@@H](CC(F)F)C(=O)NCc1cc(Cl)ccc1O ZINC000846475720 636188215 /nfs/dbraw/zinc/18/82/15/636188215.db2.gz GQNUQOUXCLRWDK-QMMMGPOBSA-N 0 0 291.725 3.343 20 10 CGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846476001 636189008 /nfs/dbraw/zinc/18/90/08/636189008.db2.gz HTDPDHPVVUFYST-UHFFFAOYSA-N 0 0 267.756 3.098 20 10 CGCDRN CSCCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846476276 636189106 /nfs/dbraw/zinc/18/91/06/636189106.db2.gz MRYSLLDQKUXYSL-UHFFFAOYSA-N 0 0 287.812 3.195 20 10 CGCDRN COc1cc(F)c(NCc2cc(C)ccc2O)cc1OC ZINC000129404557 636243759 /nfs/dbraw/zinc/24/37/59/636243759.db2.gz WOYBLYFKKNUVBQ-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cnc(Cl)c(F)c1 ZINC000846821639 636252249 /nfs/dbraw/zinc/25/22/49/636252249.db2.gz UBZGTVGFRZICQV-UHFFFAOYSA-N 0 0 292.741 3.445 20 10 CGCDRN CCn1ncnc1CN(C)c1ccc(-c2nccs2)cc1 ZINC000846992698 636302767 /nfs/dbraw/zinc/30/27/67/636302767.db2.gz LUBUEOMHHSISDA-UHFFFAOYSA-N 0 0 299.403 3.058 20 10 CGCDRN Cc1cc(NS(=O)(=O)CCC2CCCC2)ccc1O ZINC000882709661 636392541 /nfs/dbraw/zinc/39/25/41/636392541.db2.gz OLHQMBKQFBOSAB-UHFFFAOYSA-N 0 0 283.393 3.023 20 10 CGCDRN CC(C)n1cc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000882994285 636496301 /nfs/dbraw/zinc/49/63/01/636496301.db2.gz YYPHQUUHTYMIFR-JTQLQIEISA-N 0 0 295.333 3.299 20 10 CGCDRN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883078717 636531560 /nfs/dbraw/zinc/53/15/60/636531560.db2.gz AVFFDNUOOWGJAL-GXTWGEPZSA-N 0 0 299.361 3.354 20 10 CGCDRN Cc1ccc(C(C)(C)[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000883087844 636537278 /nfs/dbraw/zinc/53/72/78/636537278.db2.gz KPIWAVTVBSXNBD-UHFFFAOYSA-N 0 0 292.329 3.399 20 10 CGCDRN Cc1cccc(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883117113 636545426 /nfs/dbraw/zinc/54/54/26/636545426.db2.gz QUYUTABPLFWWBF-UHFFFAOYSA-N 0 0 292.329 3.096 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1cccnc1 ZINC000883146237 636554700 /nfs/dbraw/zinc/55/47/00/636554700.db2.gz FZMHWGLHFYXNNH-UHFFFAOYSA-N 0 0 292.329 3.133 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000883147264 636556247 /nfs/dbraw/zinc/55/62/47/636556247.db2.gz QDGNXZKZTKMDIT-NSHDSACASA-N 0 0 299.386 3.293 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)NC2(c3ncccn3)CCC2)c1 ZINC000883312303 636661871 /nfs/dbraw/zinc/66/18/71/636661871.db2.gz ZKYDYPOUYQZQQN-CYBMUJFWSA-N 0 0 283.375 3.221 20 10 CGCDRN CCc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000131585983 636691361 /nfs/dbraw/zinc/69/13/61/636691361.db2.gz MTOJHDKYQSCXRM-UHFFFAOYSA-N 0 0 296.414 3.174 20 10 CGCDRN CCc1cccc(CN[C@H](CC(C)(C)C)C(=O)OC)c1O ZINC000848919039 636691845 /nfs/dbraw/zinc/69/18/45/636691845.db2.gz DLRVUSZTUGJLKH-CQSZACIVSA-N 0 0 293.407 3.022 20 10 CGCDRN CCC[N@H+](Cc1ccc(OCC)cc1O)C(C)C ZINC000848924024 636696192 /nfs/dbraw/zinc/69/61/92/636696192.db2.gz UYLYURVDCPHFMJ-UHFFFAOYSA-N 0 0 251.370 3.411 20 10 CGCDRN CCN(CC)C(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028173 636722366 /nfs/dbraw/zinc/72/23/66/636722366.db2.gz DKSFZXNRDOLHAV-UHFFFAOYSA-N 0 0 290.194 3.065 20 10 CGCDRN CC[C@H](N[C@@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000883399306 636740087 /nfs/dbraw/zinc/74/00/87/636740087.db2.gz JEXRCIBHVQNZHM-GWCFXTLKSA-N 0 0 256.340 3.447 20 10 CGCDRN Cc1cc(Br)c(O)c(CN[C@@H](C)C(F)F)c1 ZINC000883407314 636746425 /nfs/dbraw/zinc/74/64/25/636746425.db2.gz RELSOVSPOGSSLA-ZETCQYMHSA-N 0 0 294.139 3.206 20 10 CGCDRN Nc1ccc(-n2cc(C3CCCCCC3)nn2)cc1 ZINC000849134785 636748707 /nfs/dbraw/zinc/74/87/07/636748707.db2.gz PCMBAMSMWRMIQJ-UHFFFAOYSA-N 0 0 256.353 3.287 20 10 CGCDRN COC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000086683268 636783042 /nfs/dbraw/zinc/78/30/42/636783042.db2.gz WVKQUFHKKOCUAT-GFCCVEGCSA-N 0 0 292.206 3.460 20 10 CGCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)CC(F)F ZINC000883570142 636792674 /nfs/dbraw/zinc/79/26/74/636792674.db2.gz UQZDNKKGIMNVAZ-UHFFFAOYSA-N 0 0 271.311 3.072 20 10 CGCDRN Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Cl)c1[O-] ZINC000849352115 636817904 /nfs/dbraw/zinc/81/79/04/636817904.db2.gz IQMRBSBRCJXIJL-OAHLLOKOSA-N 0 0 288.778 3.405 20 10 CGCDRN CCC(CC)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000849745509 636862587 /nfs/dbraw/zinc/86/25/87/636862587.db2.gz TXSABTDSRFKVQR-VURMDHGXSA-N 0 0 264.321 3.090 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2C=CCCC2)cc1F ZINC000187273689 636902350 /nfs/dbraw/zinc/90/23/50/636902350.db2.gz JLJYHNBLSTVHPQ-ZDUSSCGKSA-N 0 0 290.382 3.254 20 10 CGCDRN CCc1nc(CSc2ncc(Cl)s2)no1 ZINC000849999079 636923890 /nfs/dbraw/zinc/92/38/90/636923890.db2.gz NAZAZKDYUXZPFK-UHFFFAOYSA-N 0 0 261.759 3.034 20 10 CGCDRN CC1CCN(C(=O)CSc2ncc(Cl)s2)CC1 ZINC000849998352 636924137 /nfs/dbraw/zinc/92/41/37/636924137.db2.gz NPYCOJZRBFIYEI-UHFFFAOYSA-N 0 0 290.841 3.147 20 10 CGCDRN Cc1cc(CSc2ncc(Cl)s2)nc(C)n1 ZINC000850001058 636925107 /nfs/dbraw/zinc/92/51/07/636925107.db2.gz AFNMOFPYOJPDIG-UHFFFAOYSA-N 0 0 271.798 3.496 20 10 CGCDRN CC(C)N1CCC[C@H](Sc2ncc(Cl)s2)C1=O ZINC000850000079 636925096 /nfs/dbraw/zinc/92/50/96/636925096.db2.gz ILZKQGPDSUIXHS-QMMMGPOBSA-N 0 0 290.841 3.288 20 10 CGCDRN Oc1cc2c(cc1CNc1cncc3c1CCCC3)OCO2 ZINC000850343656 637021998 /nfs/dbraw/zinc/02/19/98/637021998.db2.gz XUJOTXACWYSEEU-UHFFFAOYSA-N 0 0 298.342 3.007 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1=CCCC1 ZINC000850396365 637048027 /nfs/dbraw/zinc/04/80/27/637048027.db2.gz UTVSNULBSGGDKY-UHFFFAOYSA-N 0 0 255.720 3.385 20 10 CGCDRN CC(C)(C)C(F)(F)CNCc1ccc2c(c1)CCO2 ZINC000850409977 637053030 /nfs/dbraw/zinc/05/30/30/637053030.db2.gz KIVCPBCCVQLJGQ-UHFFFAOYSA-N 0 0 269.335 3.393 20 10 CGCDRN CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000850482627 637085525 /nfs/dbraw/zinc/08/55/25/637085525.db2.gz QFKOEFGGSNHSLN-YPMHNXCESA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850494581 637090208 /nfs/dbraw/zinc/09/02/08/637090208.db2.gz QMDGWOUYWQXGLL-SMDDNHRTSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(F)cc1[O-] ZINC000850526062 637105638 /nfs/dbraw/zinc/10/56/38/637105638.db2.gz AAAOBMUNSCPRGZ-UDTVLSCZSA-N 0 0 287.334 3.360 20 10 CGCDRN C[C@@H]([NH2+]CC1=CCCC1)c1cc(F)cc(F)c1[O-] ZINC000850558175 637122798 /nfs/dbraw/zinc/12/27/98/637122798.db2.gz UYKKWHGQHZKPKD-SECBINFHSA-N 0 0 253.292 3.431 20 10 CGCDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000850583228 637133095 /nfs/dbraw/zinc/13/30/95/637133095.db2.gz JQCQDAARIGMSLZ-XWCIJXRUSA-N 0 0 289.350 3.304 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2CCS[C@H](C)[C@H]2C)c1O ZINC000135834701 637190610 /nfs/dbraw/zinc/19/06/10/637190610.db2.gz NVWHNTOZZWVDEJ-MWLCHTKSSA-N 0 0 297.395 3.060 20 10 CGCDRN Cc1cc(F)c(C(=O)N(C)Cc2ccccc2O)cc1F ZINC000136263752 637301925 /nfs/dbraw/zinc/30/19/25/637301925.db2.gz ZFNOZDFUISFAJG-UHFFFAOYSA-N 0 0 291.297 3.251 20 10 CGCDRN CCN(Cc1cccnc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000886054622 637390188 /nfs/dbraw/zinc/39/01/88/637390188.db2.gz IPYLQEHGIRTHOS-UHFFFAOYSA-N 0 0 287.319 3.025 20 10 CGCDRN Nc1ccc(CC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000851643586 637464090 /nfs/dbraw/zinc/46/40/90/637464090.db2.gz AZFPHCIDEDDDNH-MRXNPFEDSA-N 0 0 286.419 3.240 20 10 CGCDRN COc1ccc(N(C)C[C@@H](OC)C2CCCC2)cc1OC ZINC000851734594 637483890 /nfs/dbraw/zinc/48/38/90/637483890.db2.gz INXDPQXSJYTEHE-QGZVFWFLSA-N 0 0 293.407 3.345 20 10 CGCDRN COc1ccc(N(C)CCO[C@H]2CC2(F)F)cc1Cl ZINC000851809632 637510786 /nfs/dbraw/zinc/51/07/86/637510786.db2.gz WIUCLKLSQGNNLC-LBPRGKRZSA-N 0 0 291.725 3.209 20 10 CGCDRN CCn1cc(Cl)c(NCc2cc(F)cc(F)c2O)n1 ZINC000886369756 637518982 /nfs/dbraw/zinc/51/89/82/637518982.db2.gz OYIWWNWSDBDYNP-UHFFFAOYSA-N 0 0 287.697 3.152 20 10 CGCDRN COc1cc(CN2CCCCc3cc(OC)ccc32)on1 ZINC000851884928 637530642 /nfs/dbraw/zinc/53/06/42/637530642.db2.gz VVHFIKNZWLAWMG-UHFFFAOYSA-N 0 0 288.347 3.035 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccccc1O)c1c([O-])cccc1F ZINC000886521365 637550689 /nfs/dbraw/zinc/55/06/89/637550689.db2.gz ZKERKCPTVYPZRR-LLVKDONJSA-N 0 0 275.323 3.130 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886526724 637552901 /nfs/dbraw/zinc/55/29/01/637552901.db2.gz RGWWSEYOFYBHMG-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN C[C@H]([NH2+]CC1(CO)CCCCC1)c1c([O-])cccc1F ZINC000886550123 637576039 /nfs/dbraw/zinc/57/60/39/637576039.db2.gz SMHQWHZIRYHQMK-LBPRGKRZSA-N 0 0 281.371 3.125 20 10 CGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886554838 637578413 /nfs/dbraw/zinc/57/84/13/637578413.db2.gz DPBPKTIWMNMBHL-IAQYHMDHSA-N 0 0 283.387 3.225 20 10 CGCDRN C[C@H](Nc1ccc(CCO)cc1)c1c(O)cccc1F ZINC000886576534 637586371 /nfs/dbraw/zinc/58/63/71/637586371.db2.gz IPXVHCUZXQGOJD-NSHDSACASA-N 0 0 275.323 3.239 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000886576998 637588397 /nfs/dbraw/zinc/58/83/97/637588397.db2.gz UZYVHVVAJIIXEM-DTWKUNHWSA-N 0 0 259.271 3.370 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCCS1)c1c([O-])cccc1F ZINC000886587561 637593847 /nfs/dbraw/zinc/59/38/47/637593847.db2.gz BCFCSHPTYSRRPO-QWRGUYRKSA-N 0 0 269.385 3.468 20 10 CGCDRN Cc1nnc([C@@H](C)N[C@H](C)c2c(O)cccc2F)s1 ZINC000886589850 637595510 /nfs/dbraw/zinc/59/55/10/637595510.db2.gz HRFYQZYTEAUILE-HTQZYQBOSA-N 0 0 281.356 3.103 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886607413 637601804 /nfs/dbraw/zinc/60/18/04/637601804.db2.gz RBLQNKYBUAZDOJ-JKOKRWQUSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)ccn1 ZINC000886617544 637608907 /nfs/dbraw/zinc/60/89/07/637608907.db2.gz RDRPTBPPJZHHOY-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886621998 637612920 /nfs/dbraw/zinc/61/29/20/637612920.db2.gz HVDQPUOTWXDBHK-MPKXVKKWSA-N 0 0 267.344 3.140 20 10 CGCDRN CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886625622 637616272 /nfs/dbraw/zinc/61/62/72/637616272.db2.gz WAUAGUGRDJCGSQ-UVWXRNBGSA-N 0 0 281.371 3.386 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886628299 637617431 /nfs/dbraw/zinc/61/74/31/637617431.db2.gz MAVQIRJSRKVSJV-SDDRHHMPSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CC(F)F ZINC000886629654 637617575 /nfs/dbraw/zinc/61/75/75/637617575.db2.gz KSZUAROZKUJAMH-BDAKNGLRSA-N 0 0 261.287 3.473 20 10 CGCDRN C[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(Cl)cc1O ZINC000886803149 637699135 /nfs/dbraw/zinc/69/91/35/637699135.db2.gz DSUWXGICSLXILB-WRWORJQWSA-N 0 0 297.704 3.010 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000852900568 637723056 /nfs/dbraw/zinc/72/30/56/637723056.db2.gz YZSSVVXBZWYDFO-QGZVFWFLSA-N 0 0 294.398 3.218 20 10 CGCDRN COc1cccc(CNc2cc(C(C)(C)C)ncn2)c1O ZINC000853258787 637797052 /nfs/dbraw/zinc/79/70/52/637797052.db2.gz DFSLCGYWTXANGS-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN CCN(CC)c1ccc(CNc2cnc(F)cn2)cc1F ZINC000853303426 637804982 /nfs/dbraw/zinc/80/49/82/637804982.db2.gz NBEBGGQMOAHVRY-UHFFFAOYSA-N 0 0 292.333 3.213 20 10 CGCDRN Cc1nnc(CN(C)Cc2c(O)ccc3ccccc32)s1 ZINC000853617688 637873971 /nfs/dbraw/zinc/87/39/71/637873971.db2.gz JUMRJFBGWNAZQP-UHFFFAOYSA-N 0 0 299.399 3.337 20 10 CGCDRN CC[C@H](C)N(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000853749417 637908521 /nfs/dbraw/zinc/90/85/21/637908521.db2.gz RSCAEMCJZNQPAH-AWEZNQCLSA-N 0 0 291.439 3.391 20 10 CGCDRN CC1(C)C[C@@]1(C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853775809 637919368 /nfs/dbraw/zinc/91/93/68/637919368.db2.gz CNBJNRMJHAWOMG-GOSISDBHSA-N 0 0 299.418 3.051 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2CC2)cc1 ZINC000890080854 638160327 /nfs/dbraw/zinc/16/03/27/638160327.db2.gz MNOVCGJCWSCTGP-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1Cl ZINC000033923489 638317126 /nfs/dbraw/zinc/31/71/26/638317126.db2.gz CUQXEXZQIVPFGR-UHFFFAOYSA-N 0 0 297.763 3.155 20 10 CGCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000856227645 638325881 /nfs/dbraw/zinc/32/58/81/638325881.db2.gz UHLRBVHKWSRWKA-SNVBAGLBSA-N 0 0 267.394 3.400 20 10 CGCDRN O=C(Cc1ccsc1)NCCCSc1nccs1 ZINC000114375219 638372731 /nfs/dbraw/zinc/37/27/31/638372731.db2.gz UKKSTGSMDYPZPK-UHFFFAOYSA-N 0 0 298.458 3.046 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2coc3ccccc23)c1 ZINC000114540824 638374242 /nfs/dbraw/zinc/37/42/42/638374242.db2.gz IUNKQYSZUFDDEG-UHFFFAOYSA-N 0 0 297.310 3.077 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCC[C@H](C)C2)c1 ZINC000114544384 638375935 /nfs/dbraw/zinc/37/59/35/638375935.db2.gz ISIZHNLGHWRFNJ-QWHCGFSZSA-N 0 0 291.391 3.233 20 10 CGCDRN O=C(CCCc1ccc(F)cc1)NCc1ccccc1O ZINC000857471984 638508719 /nfs/dbraw/zinc/50/87/19/638508719.db2.gz OAVGEMMLRDLEJQ-UHFFFAOYSA-N 0 0 287.334 3.170 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CCCCC1 ZINC000115780478 638616730 /nfs/dbraw/zinc/61/67/30/638616730.db2.gz BRVDWOOYXGPHEI-UHFFFAOYSA-N 0 0 289.423 3.193 20 10 CGCDRN CCN(CC1CC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115855257 638627169 /nfs/dbraw/zinc/62/71/69/638627169.db2.gz STZRXWILKJWGEZ-UHFFFAOYSA-N 0 0 289.423 3.003 20 10 CGCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1cscn1 ZINC000858189733 638654643 /nfs/dbraw/zinc/65/46/43/638654643.db2.gz WEZJTFOPONLIFE-SECBINFHSA-N 0 0 297.374 3.338 20 10 CGCDRN CC(C)(C)OC[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000926143910 638720833 /nfs/dbraw/zinc/72/08/33/638720833.db2.gz QTEKZOBJCXRJBE-AWEZNQCLSA-N 0 0 291.395 3.080 20 10 CGCDRN C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(F)cc1[O-] ZINC000926916261 638824922 /nfs/dbraw/zinc/82/49/22/638824922.db2.gz OEECJVAAOUBCCP-HFBAOOFYSA-N 0 0 279.355 3.141 20 10 CGCDRN CSCCCCCCC(=O)NCc1c(O)cccc1F ZINC000928709850 638889716 /nfs/dbraw/zinc/88/97/16/638889716.db2.gz MKYHOAOWEDSRKE-UHFFFAOYSA-N 0 0 299.411 3.461 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)C=CCC2)cc1 ZINC000929527240 638931045 /nfs/dbraw/zinc/93/10/45/638931045.db2.gz IWWQITHFABOYPC-KRWDZBQOSA-N 0 0 272.392 3.067 20 10 CGCDRN COc1ccc(CNC(=O)OCC2CCCCC2)c(O)c1 ZINC000859143895 639089747 /nfs/dbraw/zinc/08/97/47/639089747.db2.gz IWLMSMUAUHGCSQ-UHFFFAOYSA-N 0 0 293.363 3.207 20 10 CGCDRN Nc1ccc(CNC(=O)C2CCc3ccccc3CC2)cc1 ZINC000859594224 639170603 /nfs/dbraw/zinc/17/06/03/639170603.db2.gz UALARUFWGXMVEO-UHFFFAOYSA-N 0 0 294.398 3.080 20 10 CGCDRN O=C(C[C@H]1C=CCCC1)NCc1ccc2cccnc2c1O ZINC000862027114 639634641 /nfs/dbraw/zinc/63/46/41/639634641.db2.gz JOYZTUOFUMXEDE-ZDUSSCGKSA-N 0 0 296.370 3.303 20 10 CGCDRN CC(C)C[C@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027048 639634774 /nfs/dbraw/zinc/63/47/74/639634774.db2.gz HUEFQRAZBAOMQN-LBPRGKRZSA-N 0 0 286.375 3.239 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccccc1Cl ZINC000048606725 640061965 /nfs/dbraw/zinc/06/19/65/640061965.db2.gz PTOWEDZWTLVSKH-UHFFFAOYSA-N 0 0 289.762 3.247 20 10 CGCDRN COc1ccc(C=O)cc1CSc1nccs1 ZINC000048701952 640066677 /nfs/dbraw/zinc/06/66/77/640066677.db2.gz DIXJSFXAVHWKSX-UHFFFAOYSA-N 0 0 265.359 3.257 20 10 CGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cccc(C)c1 ZINC000189428030 640192230 /nfs/dbraw/zinc/19/22/30/640192230.db2.gz LYQNTLODWBGJNK-UHFFFAOYSA-N 0 0 291.372 3.064 20 10 CGCDRN C[C@@H](C1CC1)N(C(=O)CSc1nccs1)C1CC1 ZINC000077620090 640248603 /nfs/dbraw/zinc/24/86/03/640248603.db2.gz CTLIZZUMCWVGDR-VIFPVBQESA-N 0 0 282.434 3.025 20 10 CGCDRN COc1cccc(C[N@H+](C)C(C2CC2)C2CC2)c1O ZINC000092704076 640742755 /nfs/dbraw/zinc/74/27/55/640742755.db2.gz IUKJICRGOOLFEJ-UHFFFAOYSA-N 0 0 261.365 3.021 20 10 CGCDRN CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000248518208 640765452 /nfs/dbraw/zinc/76/54/52/640765452.db2.gz PTSKSGUZFRNUJB-HUUCEWRRSA-N 0 0 276.424 3.226 20 10 CGCDRN CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000248528118 640766715 /nfs/dbraw/zinc/76/67/15/640766715.db2.gz VYULYWOTYBZQCU-TZMCWYRMSA-N 0 0 280.387 3.056 20 10 CGCDRN COc1ccc(N[C@H](C)c2cc(F)ccc2O)cn1 ZINC000094616544 640798776 /nfs/dbraw/zinc/79/87/76/640798776.db2.gz XEOKCDLFEJGFRA-SECBINFHSA-N 0 0 262.284 3.108 20 10 CGCDRN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(O)c1O ZINC000114428822 640996608 /nfs/dbraw/zinc/99/66/08/640996608.db2.gz XTNGMKYCGHEZCK-MEDUHNTESA-N 0 0 297.354 3.151 20 10 CGCDRN CN(C)c1ccc(-c2nc3cc(N(C)C)ccc3[nH]2)cc1 ZINC001250468954 805636068 /nfs/dbraw/zinc/63/60/68/805636068.db2.gz VNNNZGIKVNZAMC-UHFFFAOYSA-N 0 0 280.375 3.362 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cc(C3CCC3)ncn2)cc1 ZINC001156926693 805754657 /nfs/dbraw/zinc/75/46/57/805754657.db2.gz AGCFAHQLDQPAQZ-UHFFFAOYSA-N 0 0 296.418 3.447 20 10 CGCDRN Oc1cc(O)c(CCNc2ccc3ccccc3n2)cc1O ZINC001157239867 805794027 /nfs/dbraw/zinc/79/40/27/805794027.db2.gz LHBDNGYZJUNUIC-UHFFFAOYSA-N 0 0 296.326 3.006 20 10 CGCDRN Cn1c2cc(Cl)ccc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248235 805872314 /nfs/dbraw/zinc/87/23/14/805872314.db2.gz HBOBRUDGDSQRHB-UHFFFAOYSA-N 0 0 290.706 3.011 20 10 CGCDRN O=C(NC[C@H]1CCC=CCCC1)C1=CC(=O)CS1 ZINC001158912752 806020127 /nfs/dbraw/zinc/02/01/27/806020127.db2.gz HZRNSLSJYAQPAU-NSHDSACASA-N 0 0 265.378 3.320 20 10 CGCDRN Cc1nc2cc(F)ccc2c(NCc2ccc(O)c(O)c2)n1 ZINC001158994835 806028533 /nfs/dbraw/zinc/02/85/33/806028533.db2.gz YJEHOLLZUBQSMZ-UHFFFAOYSA-N 0 0 299.305 3.101 20 10 CGCDRN Oc1ccc(CNc2cnc(-c3ccccc3)cn2)cc1O ZINC001158997239 806029055 /nfs/dbraw/zinc/02/90/55/806029055.db2.gz AKLGMZMPWWOHOC-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN COc1ccc(-c2ccccn2)nc1Nc1ccc(N)cc1 ZINC001159124184 806045722 /nfs/dbraw/zinc/04/57/22/806045722.db2.gz UOZGOKXHKPPOCK-UHFFFAOYSA-N 0 0 292.342 3.478 20 10 CGCDRN COC(=O)c1c(C)csc1Nc1ccc(N)cc1 ZINC001159222851 806059896 /nfs/dbraw/zinc/05/98/96/806059896.db2.gz LIRMNJLZSXZVCI-UHFFFAOYSA-N 0 0 262.334 3.169 20 10 CGCDRN Cc1c[nH]c(=O)cc1Nc1ccc2c(c1)CCCN2 ZINC001159254318 806066733 /nfs/dbraw/zinc/06/67/33/806066733.db2.gz MHDXAHSVKLUFBE-UHFFFAOYSA-N 0 0 255.321 3.197 20 10 CGCDRN Oc1cc2cc(-c3nnc(-c4ccccc4)o3)[nH]c2cc1O ZINC001253060596 806158345 /nfs/dbraw/zinc/15/83/45/806158345.db2.gz PUOXXYLVQBKJIA-UHFFFAOYSA-N 0 0 293.282 3.296 20 10 CGCDRN Oc1ccc(Br)cc1CNc1cc(F)ccn1 ZINC001160013136 806213203 /nfs/dbraw/zinc/21/32/03/806213203.db2.gz YXXPCAFTAWQHHM-UHFFFAOYSA-N 0 0 297.127 3.301 20 10 CGCDRN Nc1cccnc1NCc1cc2ccccc2cc1O ZINC001160206934 806234917 /nfs/dbraw/zinc/23/49/17/806234917.db2.gz ONBDHHPPWHBMRA-UHFFFAOYSA-N 0 0 265.316 3.135 20 10 CGCDRN CSc1cnc(NCc2c(C)cc(C)cc2O)nc1 ZINC001160810005 806305260 /nfs/dbraw/zinc/30/52/60/806305260.db2.gz HMRHXLPBTGYIBO-UHFFFAOYSA-N 0 0 275.377 3.133 20 10 CGCDRN Cc1cc(C)c(CNc2cc(-c3ncc[nH]3)ccn2)c(O)c1 ZINC001160810939 806305620 /nfs/dbraw/zinc/30/56/20/806305620.db2.gz XDQDNOQCLWZWKS-UHFFFAOYSA-N 0 0 294.358 3.406 20 10 CGCDRN COCc1ccnc(NCc2c(C)cc(C)cc2O)c1 ZINC001160808622 806305895 /nfs/dbraw/zinc/30/58/95/806305895.db2.gz VJOCEORSEJQFSG-UHFFFAOYSA-N 0 0 272.348 3.163 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(Cl)nc2C)c(O)c1 ZINC001160810577 806305985 /nfs/dbraw/zinc/30/59/85/806305985.db2.gz SSYSCTGDPFAWAN-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN Cc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cc1C ZINC001161096504 806348757 /nfs/dbraw/zinc/34/87/57/806348757.db2.gz HCYQQGQINLGHLC-UHFFFAOYSA-N 0 0 282.387 3.087 20 10 CGCDRN CNc1ccccc1NCCCCCCC(=O)OC ZINC001162434447 806584763 /nfs/dbraw/zinc/58/47/63/806584763.db2.gz RZOLHLBFFNXZHW-UHFFFAOYSA-N 0 0 264.369 3.264 20 10 CGCDRN CNc1ccccc1N[C@@H]1c2cc(C)ccc2NC1=O ZINC001162576379 806622037 /nfs/dbraw/zinc/62/20/37/806622037.db2.gz UVLXUYFLEGZPOB-OAHLLOKOSA-N 0 0 267.332 3.142 20 10 CGCDRN Nc1ccc(CNc2nccnc2Oc2ccccc2)cc1 ZINC001162787567 806666290 /nfs/dbraw/zinc/66/62/90/806666290.db2.gz NJDIYNHZVVSEGK-UHFFFAOYSA-N 0 0 292.342 3.463 20 10 CGCDRN Nc1ccc(CNc2ncnc3sc4c(c32)CCC4)cc1 ZINC001162787349 806666323 /nfs/dbraw/zinc/66/63/23/806666323.db2.gz JGGRBEPEALAOFP-UHFFFAOYSA-N 0 0 296.399 3.374 20 10 CGCDRN Cc1cc([C@@H](C)NC(=O)Cc2ccc(N)cc2)c(C)s1 ZINC000037002120 798854882 /nfs/dbraw/zinc/85/48/82/798854882.db2.gz WPCHUSTUQWQXIT-LLVKDONJSA-N 0 0 288.416 3.367 20 10 CGCDRN Fc1cccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000132720792 799032852 /nfs/dbraw/zinc/03/28/52/799032852.db2.gz YYFLGNAZMFDNIL-UHFFFAOYSA-N 0 0 271.339 3.433 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)c2ccccc2F)cc1 ZINC000234965782 799144480 /nfs/dbraw/zinc/14/44/80/799144480.db2.gz PFXWKNOPLOGRQK-MRXNPFEDSA-N 0 0 275.323 3.004 20 10 CGCDRN CCOc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000315519935 799237278 /nfs/dbraw/zinc/23/72/78/799237278.db2.gz JWLCUHFFYNZJQK-ZDUSSCGKSA-N 0 0 298.386 3.087 20 10 CGCDRN C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000379818997 799352611 /nfs/dbraw/zinc/35/26/11/799352611.db2.gz SQFFXLMLNSADMF-KCJUWKMLSA-N 0 0 270.170 3.043 20 10 CGCDRN CCOc1cccc(-c2noc(Cc3ccc(N)cc3)n2)c1 ZINC000386926016 799442041 /nfs/dbraw/zinc/44/20/41/799442041.db2.gz MHEDOJPOJWQBEH-UHFFFAOYSA-N 0 0 295.342 3.308 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1=CCOCC1 ZINC000397898966 799523520 /nfs/dbraw/zinc/52/35/20/799523520.db2.gz WTEBKZWYROEYNP-UHFFFAOYSA-N 0 0 288.174 3.135 20 10 CGCDRN Oc1cccc(Cl)c1CN[C@H]1CCCC1(F)F ZINC000398154652 799526989 /nfs/dbraw/zinc/52/69/89/799526989.db2.gz QGXJLBWDJRJJDI-NSHDSACASA-N 0 0 261.699 3.323 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000588406479 799688731 /nfs/dbraw/zinc/68/87/31/799688731.db2.gz FJZABFPEWUBPHR-BPFSLKFUSA-N 0 0 289.375 3.052 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCC1CCCC1 ZINC000588403424 799689067 /nfs/dbraw/zinc/68/90/67/799689067.db2.gz MZVXYEFGBFPHMP-NTMALXAHSA-N 0 0 289.375 3.198 20 10 CGCDRN C[C@@H]1CCC[C@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588407089 799689261 /nfs/dbraw/zinc/68/92/61/799689261.db2.gz VZJMCKKJOHIGFF-HYOAPIGFSA-N 0 0 289.375 3.148 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000689225085 799762743 /nfs/dbraw/zinc/76/27/43/799762743.db2.gz NBDMCFFXUGOEST-QPUJVOFHSA-N 0 0 259.271 3.227 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000689803911 799768772 /nfs/dbraw/zinc/76/87/72/799768772.db2.gz AYYQUWLLMBCJRZ-NSHDSACASA-N 0 0 263.312 3.326 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000699813994 799866324 /nfs/dbraw/zinc/86/63/24/799866324.db2.gz VXXQWRDFTHDPSV-CHWSQXEVSA-N 0 0 261.365 3.033 20 10 CGCDRN CCOC1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000703792589 799929856 /nfs/dbraw/zinc/92/98/56/799929856.db2.gz ZZWSMCWURGNIDK-UHFFFAOYSA-N 0 0 283.799 3.483 20 10 CGCDRN C[C@@H](CF)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708204230 799983245 /nfs/dbraw/zinc/98/32/45/799983245.db2.gz LEEMUWAYAWQORS-LURJTMIESA-N 0 0 296.567 3.256 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000708388079 799987218 /nfs/dbraw/zinc/98/72/18/799987218.db2.gz GSZUNTNLZNADEZ-SNVBAGLBSA-N 0 0 277.261 3.338 20 10 CGCDRN C[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000714438047 800121561 /nfs/dbraw/zinc/12/15/61/800121561.db2.gz LCBOVVXYQVLZHW-JSGCOSHPSA-N 0 0 261.365 3.177 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CCCS1 ZINC000715671186 800143588 /nfs/dbraw/zinc/14/35/88/800143588.db2.gz XVMTVZPZFNSJLA-LLVKDONJSA-N 0 0 271.813 3.421 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000715721423 800144249 /nfs/dbraw/zinc/14/42/49/800144249.db2.gz VNPHQCBCIGQNMO-PWSUYJOCSA-N 0 0 269.385 3.468 20 10 CGCDRN [O-]c1c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)ccc(F)c1F ZINC000716021217 800160526 /nfs/dbraw/zinc/16/05/26/800160526.db2.gz HULBELDLKPBRPA-CLYYMRHHSA-N 0 0 299.386 3.434 20 10 CGCDRN C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000725086475 800371856 /nfs/dbraw/zinc/37/18/56/800371856.db2.gz SEPYGQQOYMBZLE-NHYWBVRUSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1nc([C@H](C)Sc2ncc(Cl)s2)no1 ZINC000850000549 800515086 /nfs/dbraw/zinc/51/50/86/800515086.db2.gz YUYVZQQDDNXXRD-BYPYZUCNSA-N 0 0 261.759 3.341 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@]23C[C@H]2CCCC3)c1 ZINC000924373210 800624650 /nfs/dbraw/zinc/62/46/50/800624650.db2.gz RXNRHQMLVODEQN-PBHICJAKSA-N 0 0 288.391 3.080 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NCC(=O)N2CCCC2)cc1 ZINC001164580501 806959211 /nfs/dbraw/zinc/95/92/11/806959211.db2.gz RBMCVDLAIIAJCE-UHFFFAOYSA-N 0 0 297.402 3.128 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc(F)cc1[O-] ZINC001117113490 802434288 /nfs/dbraw/zinc/43/42/88/802434288.db2.gz VUOCKUBHICHKDB-ARFHVFGLSA-N 0 0 294.414 3.445 20 10 CGCDRN COc1cccc(CNC(=O)C2(C)CCC(C)CC2)c1O ZINC001120709899 802765510 /nfs/dbraw/zinc/76/55/10/802765510.db2.gz ZTMAQKPMXQKLAB-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2cc(C3CC3)cnc2F)n1 ZINC001243847512 803046371 /nfs/dbraw/zinc/04/63/71/803046371.db2.gz MAVRAGHFHVKEOG-UHFFFAOYSA-N 0 0 282.322 3.355 20 10 CGCDRN CSc1ccc(N(C)C(=O)/C=C(/C)c2cnccn2)cc1 ZINC001126092420 803083012 /nfs/dbraw/zinc/08/30/12/803083012.db2.gz ZOTNWFCGHHRZBJ-BENRWUELSA-N 0 0 299.399 3.265 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)C#N)c1 ZINC001128270704 803183617 /nfs/dbraw/zinc/18/36/17/803183617.db2.gz YXBHWTLDZJTSNT-UHFFFAOYSA-N 0 0 287.750 3.301 20 10 CGCDRN COC(=O)c1cnc(-c2cnc(C)cc2C)c2ccn(C)c21 ZINC001244145618 803207617 /nfs/dbraw/zinc/20/76/17/803207617.db2.gz WWJZTXFZTCHVNA-UHFFFAOYSA-N 0 0 295.342 3.039 20 10 CGCDRN Cc1cc(C)c(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001244149609 803211221 /nfs/dbraw/zinc/21/12/21/803211221.db2.gz DPGBFTMSUGSREL-UHFFFAOYSA-N 0 0 264.328 3.217 20 10 CGCDRN Cc1cncc(-c2ccn(CC(F)(F)F)c(=O)c2)c1C ZINC001244153383 803213931 /nfs/dbraw/zinc/21/39/31/803213931.db2.gz URFLMKISSWQGGY-UHFFFAOYSA-N 0 0 282.265 3.089 20 10 CGCDRN Cc1cc(-c2nccn2C)c(-c2cnccc2C2CC2)nn1 ZINC001244279133 803275810 /nfs/dbraw/zinc/27/58/10/803275810.db2.gz FUAJGCHGGZUWQD-UHFFFAOYSA-N 0 0 291.358 3.125 20 10 CGCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1ccc(F)c(C)c1 ZINC001133440699 803477163 /nfs/dbraw/zinc/47/71/63/803477163.db2.gz VIJDNCHPWFEUCI-RAXLEYEMSA-N 0 0 299.349 3.381 20 10 CGCDRN CCCOc1ccc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001245233888 803672314 /nfs/dbraw/zinc/67/23/14/803672314.db2.gz KEIAJOUPOBJYMX-UHFFFAOYSA-N 0 0 294.354 3.389 20 10 CGCDRN Cn1c(=O)cc(-c2c[nH]c3cnccc32)c2ccccc21 ZINC001245399304 803727661 /nfs/dbraw/zinc/72/76/61/803727661.db2.gz GZVLBVOOPRWBCC-UHFFFAOYSA-N 0 0 275.311 3.082 20 10 CGCDRN Cc1cc([C@H]2CCCN2Cc2c(O)cccc2F)no1 ZINC001137831981 803777952 /nfs/dbraw/zinc/77/79/52/803777952.db2.gz VNUZTRSBFMCPFB-CQSZACIVSA-N 0 0 276.311 3.165 20 10 CGCDRN C[C@H]1C[N@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137831910 803778675 /nfs/dbraw/zinc/77/86/75/803778675.db2.gz RWJDBKWYFGXNIW-VIFPVBQESA-N 0 0 259.271 3.008 20 10 CGCDRN C[C@]1(CF)CC(F)(F)CN1Cc1cccc(F)c1O ZINC001138123603 803862657 /nfs/dbraw/zinc/86/26/57/803862657.db2.gz BPPYMQKQYNOHAB-GFCCVEGCSA-N 0 0 277.261 3.101 20 10 CGCDRN CC(C)[N@H+](Cc1c(F)ccc(F)c1[O-])C1CCOCC1 ZINC001139690082 804254914 /nfs/dbraw/zinc/25/49/14/804254914.db2.gz OCOFWBGLSRVNFK-UHFFFAOYSA-N 0 0 285.334 3.060 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCC[C@@]1(C)O ZINC001140462510 804441510 /nfs/dbraw/zinc/44/15/10/804441510.db2.gz HULZVEWXJYNIDI-XHDPSFHLSA-N 0 0 283.799 3.029 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140583490 804466090 /nfs/dbraw/zinc/46/60/90/804466090.db2.gz IWBIRWKFDWNNBF-QMTHXVAHSA-N 0 0 267.319 3.435 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140580699 804466909 /nfs/dbraw/zinc/46/69/09/804466909.db2.gz CXLPTGSMIDSNLY-QWRGUYRKSA-N 0 0 267.319 3.292 20 10 CGCDRN COc1ccc(C[N@H+](C)Cc2c([O-])cc(F)cc2F)cc1 ZINC001140581521 804467136 /nfs/dbraw/zinc/46/71/36/804467136.db2.gz UDUDEQIKPNJTSN-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001140583665 804467977 /nfs/dbraw/zinc/46/79/77/804467977.db2.gz QGRLUNQYXILPNY-MRVPVSSYSA-N 0 0 277.261 3.148 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccnc3ccccc32)no1 ZINC001212405556 815020840 /nfs/dbraw/zinc/02/08/40/815020840.db2.gz VRRLWWKXHBBQOA-UHFFFAOYSA-N 0 0 295.327 3.112 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(C)c(F)c2)no1 ZINC001212404936 815020937 /nfs/dbraw/zinc/02/09/37/815020937.db2.gz CACQASPOKBYUDV-UHFFFAOYSA-N 0 0 276.296 3.011 20 10 CGCDRN COC(C)(C)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935739 807013914 /nfs/dbraw/zinc/01/39/14/807013914.db2.gz RHNZUFLKOWQNGS-UHFFFAOYSA-N 0 0 283.331 3.409 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001142509082 804729155 /nfs/dbraw/zinc/72/91/55/804729155.db2.gz WKVFDKMEIAUUFY-LBPRGKRZSA-N 0 0 295.251 3.240 20 10 CGCDRN C[N@H+](Cc1cccc(O)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142509141 804729187 /nfs/dbraw/zinc/72/91/87/804729187.db2.gz YJGPSENVHXLZHF-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])Cc1ccccc1F ZINC001142520998 804732017 /nfs/dbraw/zinc/73/20/17/804732017.db2.gz UDGDJEKENWBCMO-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C(F)F)cc1 ZINC001142789005 804772085 /nfs/dbraw/zinc/77/20/85/804772085.db2.gz WKFOHNAPAGZWLE-UHFFFAOYSA-N 0 0 276.286 3.067 20 10 CGCDRN CC(C)(C)c1cccc(CN2CC(C)(F)C2)c1O ZINC001143103371 804801175 /nfs/dbraw/zinc/80/11/75/804801175.db2.gz AVMDZBUZCLFFPN-UHFFFAOYSA-N 0 0 251.345 3.234 20 10 CGCDRN COc1ccc(-c2noc(Cc3ccc(N)cc3)n2)cc1F ZINC001248188420 804891799 /nfs/dbraw/zinc/89/17/99/804891799.db2.gz WHLWLHVWLZRKGY-UHFFFAOYSA-N 0 0 299.305 3.057 20 10 CGCDRN CCOC(=O)Cc1cccc(N(C)c2ccc(N)cc2)c1 ZINC001212526902 815051180 /nfs/dbraw/zinc/05/11/80/815051180.db2.gz BFPNKOBRBAXBHG-UHFFFAOYSA-N 0 0 284.359 3.142 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C\C=C(Cl)Cl)c1 ZINC001147962460 805157511 /nfs/dbraw/zinc/15/75/11/805157511.db2.gz UPQYMWQLXGZGLC-RQOWECAXSA-N 0 0 286.158 3.192 20 10 CGCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cccc(O)c1O ZINC001148484860 805187695 /nfs/dbraw/zinc/18/76/95/805187695.db2.gz FASWNYQVHWYKEB-HOCLYGCPSA-N 0 0 297.354 3.020 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cc(C)c(O)c(C)c2)c(O)c1 ZINC001148561683 805196173 /nfs/dbraw/zinc/19/61/73/805196173.db2.gz HLADOTUQTVZNRE-UHFFFAOYSA-N 0 0 299.370 3.261 20 10 CGCDRN O=C(c1cc(F)cc(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001152574034 805354268 /nfs/dbraw/zinc/35/42/68/805354268.db2.gz QBAHZFOXPBCWKH-UHFFFAOYSA-N 0 0 291.709 3.341 20 10 CGCDRN Cc1coc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256981422 807022051 /nfs/dbraw/zinc/02/20/51/807022051.db2.gz MWXJVNSOQQXRSG-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN CCO[C@@H](CN(CC)c1ccc(OC)cc1)C1CC1 ZINC001167835055 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/nfs/dbraw/zinc/99/51/53/807995153.db2.gz NXRKMTWQEDFSNX-UHFFFAOYSA-N 0 0 297.402 3.038 20 10 CGCDRN Oc1cccc(Nc2cc(F)nc(C(F)(F)F)c2)c1O ZINC001213009122 815198472 /nfs/dbraw/zinc/19/84/72/815198472.db2.gz VDIDAXOPBJZLNC-UHFFFAOYSA-N 0 0 288.200 3.394 20 10 CGCDRN CC(C)(C)OC(=O)N1CC=C(Nc2ccc(N)cc2)CC1 ZINC001174440467 809017546 /nfs/dbraw/zinc/01/75/46/809017546.db2.gz GVAJUBJBBXBNRH-UHFFFAOYSA-N 0 0 289.379 3.205 20 10 CGCDRN O=C(N1Cc2cccc(O)c2C1)C(F)(F)c1ccccc1 ZINC001175029268 809246511 /nfs/dbraw/zinc/24/65/11/809246511.db2.gz ACFFELJXAPRXLP-UHFFFAOYSA-N 0 0 289.281 3.026 20 10 CGCDRN O=C(c1ccc2ncccc2c1)N1Cc2cccc(O)c2C1 ZINC001175032106 809247365 /nfs/dbraw/zinc/24/73/65/809247365.db2.gz XHSAVGYFDXNOFO-UHFFFAOYSA-N 0 0 290.322 3.096 20 10 CGCDRN CCCCN(C(=O)/C=C/c1cncc(F)c1)c1ccccn1 ZINC001287446986 809340438 /nfs/dbraw/zinc/34/04/38/809340438.db2.gz KPGMRVJWKKIFLI-BQYQJAHWSA-N 0 0 299.349 3.462 20 10 CGCDRN Nc1ccc(Nc2ccc(-n3cccn3)cc2)cc1 ZINC001175370991 809381903 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812415738 /nfs/dbraw/zinc/41/57/38/812415738.db2.gz JWQLKODGVPOSES-UHFFFAOYSA-N 0 0 290.269 3.101 20 10 CGCDRN F[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCC1(F)F ZINC001204326527 812614175 /nfs/dbraw/zinc/61/41/75/812614175.db2.gz YVNVMKKYLYTYSA-OAHLLOKOSA-N 0 0 298.352 3.466 20 10 CGCDRN CC(C)[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001204974779 812805004 /nfs/dbraw/zinc/80/50/04/812805004.db2.gz BOEKOQPGYWUPLV-DUMMIQTOSA-N 0 0 288.435 3.123 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]C/C=C/c1ccccc1 ZINC001204984571 812809715 /nfs/dbraw/zinc/80/97/15/812809715.db2.gz LDFLDKGSXWDSBR-VMPITWQZSA-N 0 0 257.308 3.334 20 10 CGCDRN CCc1cccc(CN2CCOc3ccc(OC)cc32)c1O ZINC001205252915 812917387 /nfs/dbraw/zinc/91/73/87/812917387.db2.gz BGCZWOGPGAQEAV-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cn(C2CC2)cn1 ZINC001205327655 812957582 /nfs/dbraw/zinc/95/75/82/812957582.db2.gz PPXABXCXGBSEIU-UHFFFAOYSA-N 0 0 283.375 3.179 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC2(CCC2)C1 ZINC001206186586 813232633 /nfs/dbraw/zinc/23/26/33/813232633.db2.gz OAEPJIKSJPPZHX-UHFFFAOYSA-N 0 0 255.720 3.171 20 10 CGCDRN CCN(Cc1ncc2ccccn21)Cc1ccccc1O ZINC001207057692 813474465 /nfs/dbraw/zinc/47/44/65/813474465.db2.gz QKWLBOQLKFGSHW-UHFFFAOYSA-N 0 0 281.359 3.062 20 10 CGCDRN Cc1cc2c(cccc2-c2c[nH]c(=O)c(F)c2)n1C ZINC001242617503 823064365 /nfs/dbraw/zinc/06/43/65/823064365.db2.gz UCWGYRKEBKYMHE-UHFFFAOYSA-N 0 0 256.280 3.393 20 10 CGCDRN CCCOC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001208453497 813761789 /nfs/dbraw/zinc/76/17/89/813761789.db2.gz SCIODTRDIVYWJW-UHFFFAOYSA-N 0 0 276.380 3.264 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(CN2CCC(=O)CC2)cc1 ZINC001209516974 814070574 /nfs/dbraw/zinc/07/05/74/814070574.db2.gz VIZWQJTXLMSQAE-UHFFFAOYSA-N 0 0 282.387 3.259 20 10 CGCDRN Cn1ncc2cccc(Nc3ccc4c(c3)OCCN4)c21 ZINC001209766827 814134522 /nfs/dbraw/zinc/13/45/22/814134522.db2.gz XFBMXXXSDILLDR-UHFFFAOYSA-N 0 0 280.331 3.121 20 10 CGCDRN c1cc(C2=NCCO2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209767132 814134915 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ZINC001303879172 932836201 /nfs/dbraw/zinc/83/62/01/932836201.db2.gz UMUVYCRZDRENMV-UHFFFAOYSA-N 0 0 295.260 3.399 20 10 CGCDRN O=C(Nc1cccc(-c2ccon2)c1)c1cccc(O)c1O ZINC001304006062 932838761 /nfs/dbraw/zinc/83/87/61/932838761.db2.gz UTNPPTUGAQWCNG-UHFFFAOYSA-N 0 0 296.282 3.005 20 10 CGCDRN Cc1ccccc1CC(=O)NCc1cccc(Cl)c1O ZINC001305070049 932860625 /nfs/dbraw/zinc/86/06/25/932860625.db2.gz XHWSOWXKZWLWKH-UHFFFAOYSA-N 0 0 289.762 3.213 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCOCC23CCCCC3)cc1 ZINC001307770444 932998681 /nfs/dbraw/zinc/99/86/81/932998681.db2.gz DCNKLCADCGRFLI-UHFFFAOYSA-N 0 0 288.435 3.288 20 10 CGCDRN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1CCC1 ZINC001308715412 933164319 /nfs/dbraw/zinc/16/43/19/933164319.db2.gz OBBGOCCMNJOUFC-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308716141 933164693 /nfs/dbraw/zinc/16/46/93/933164693.db2.gz QFLHFXTUIOUVNE-NXEZZACHSA-N 0 0 255.308 3.196 20 10 CGCDRN 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20 10 CGCDRN CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001324425488 934500723 /nfs/dbraw/zinc/50/07/23/934500723.db2.gz SYIZJNMQDMOQLW-OAHLLOKOSA-N 0 0 289.375 3.148 20 10 CGCDRN NC(=O)[C@@H](Sc1ncc(Cl)s1)c1ccccc1 ZINC001473067328 937791619 /nfs/dbraw/zinc/79/16/19/937791619.db2.gz ZXVNBPZDMKKBTG-VIFPVBQESA-N 0 0 284.793 3.115 20 10 CGCDRN CN(C[C@@H]1CCC2(CCC2)CO1)c1ccc2c(c1)OCO2 ZINC001473283910 937800271 /nfs/dbraw/zinc/80/02/71/937800271.db2.gz FHQZXBYSSKGNLQ-AWEZNQCLSA-N 0 0 289.375 3.201 20 10 CGCDRN CCCCCCN(C)c1ccc(OCC(=O)OC)cc1 ZINC001473372907 937803998 /nfs/dbraw/zinc/80/39/98/937803998.db2.gz JMSJBIKXZWVVFF-UHFFFAOYSA-N 0 0 279.380 3.255 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1C=CCCC1 ZINC001326327559 934970358 /nfs/dbraw/zinc/97/03/58/934970358.db2.gz UZBHJWQYEAMBAI-JTQLQIEISA-N 0 0 255.720 3.383 20 10 CGCDRN CCOc1cncc(NCc2c(O)ccc3c2CCCC3)n1 ZINC001327595887 935072556 /nfs/dbraw/zinc/07/25/56/935072556.db2.gz MGQARUWSVJBHKQ-UHFFFAOYSA-N 0 0 299.374 3.072 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCC[C@H](F)C1)c1ccccc1O ZINC001330583076 935299465 /nfs/dbraw/zinc/29/94/65/935299465.db2.gz ZJVKYRCXTRSGGK-GRYCIOLGSA-N 0 0 280.343 3.033 20 10 CGCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccncc1 ZINC001330710993 935315466 /nfs/dbraw/zinc/31/54/66/935315466.db2.gz GGYGVCISQRMEQO-SWLSCSKDSA-N 0 0 299.374 3.299 20 10 CGCDRN CN(C)c1cc(F)c(CN[C@@H]2CCCC2(F)F)cc1F ZINC001331297872 935366459 /nfs/dbraw/zinc/36/64/59/935366459.db2.gz RTXUFWGLTYOYBY-CYBMUJFWSA-N 0 0 290.304 3.308 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC001331314684 935368801 /nfs/dbraw/zinc/36/88/01/935368801.db2.gz IFXRPIHLUTYWOX-AEGPPILISA-N 0 0 288.391 3.079 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2(C)CC2)c1 ZINC001335059317 936127544 /nfs/dbraw/zinc/12/75/44/936127544.db2.gz RQOANYHYRUDRIJ-UHFFFAOYSA-N 0 0 296.370 3.189 20 10 CGCDRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001335730558 936157176 /nfs/dbraw/zinc/15/71/76/936157176.db2.gz MRHQMIUWIYBQAS-CJNGLKHVSA-N 0 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DYEURYPJWIFGRJ-UHFFFAOYSA-N 0 0 292.338 3.213 20 10 CGCDRN O=C(/C=C\c1cccs1)N1Cc2cccc(O)c2C1 ZINC001558036153 938213318 /nfs/dbraw/zinc/21/33/18/938213318.db2.gz UZHMLLWDRIFMRA-SREVYHEPSA-N 0 0 271.341 3.009 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cc(F)c(F)cc1O ZINC001560703103 938271290 /nfs/dbraw/zinc/27/12/90/938271290.db2.gz AYXOPXYBQGPISD-UHFFFAOYSA-N 0 0 291.297 3.242 20 10 CGCDRN CC1=CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001560790365 938275652 /nfs/dbraw/zinc/27/56/52/938275652.db2.gz AORCZFNVQKBHSN-UHFFFAOYSA-N 0 0 266.335 3.183 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)C12CCCC2 ZINC001561016025 938289663 /nfs/dbraw/zinc/28/96/63/938289663.db2.gz MVWATKNKCBLCIV-HZPDHXFCSA-N 0 0 293.382 3.359 20 10 CGCDRN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCC(=O)[O-])c1O ZINC001594307103 957977749 /nfs/dbraw/zinc/97/77/49/957977749.db2.gz DTRNURDIHMTECU-JTQLQIEISA-N 0 0 285.771 3.260 20 10 CGCDRN CC[C@@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CC1(C)C ZINC001564951655 960713962 /nfs/dbraw/zinc/71/39/62/960713962.db2.gz BAUGJXSOIUEXBN-DGCLKSJQSA-N 0 0 294.370 3.155 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1Cl ZINC001574343140 962299881 /nfs/dbraw/zinc/29/98/81/962299881.db2.gz FKIHLSSOZNUCHQ-XPTSAGLGSA-N 0 0 297.782 3.039 20 10 CGCDRN CCCN(C(=O)/C=C(\C)c1cnccn1)c1ccccc1F ZINC001586322729 963095275 /nfs/dbraw/zinc/09/52/75/963095275.db2.gz NFWWPOYWWPCYPR-ACCUITESSA-N 0 0 299.349 3.462 20 10 CGCDRN Cc1cc(F)ccc1C(=O)N[C@H](C)c1ccccc1O ZINC001587447112 963193103 /nfs/dbraw/zinc/19/31/03/963193103.db2.gz JKKZTEZHMZKIRC-LLVKDONJSA-N 0 0 273.307 3.331 20 10 CGCDRN COc1cc(C)ccc1C(=O)N[C@H](C)c1ccccc1O ZINC001587447533 963194628 /nfs/dbraw/zinc/19/46/28/963194628.db2.gz VXMZAWBSICPBTE-GFCCVEGCSA-N 0 0 285.343 3.200 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)c1ccc(N(C)C)cc1 ZINC000315545116 963913586 /nfs/dbraw/zinc/91/35/86/963913586.db2.gz CIGNDUFGGBZKFU-CXAGYDPISA-N 0 0 298.386 3.229 20 10 CGCDRN C[C@@H]([NH2+]CC1(C)CCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593248643 994472287 /nfs/dbraw/zinc/47/22/87/994472287.db2.gz KMMFHZXQLADGTK-LLVKDONJSA-N 0 0 277.364 3.321 20 10 CGCDRN C[C@H]([NH2+]CCCC(C)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593265723 994575026 /nfs/dbraw/zinc/57/50/26/994575026.db2.gz VYTYLAICVQGIJG-VIFPVBQESA-N 0 0 287.306 3.176 20 10 CGCDRN Cc1nnc(-c2ccccc2NCc2ccccc2O)o1 ZINC000036932314 344945924 /nfs/dbraw/zinc/94/59/24/344945924.db2.gz MXPNZTCJMKVYOE-UHFFFAOYSA-N 0 0 281.315 3.363 20 10 CGCDRN CC(C)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000062487339 345239474 /nfs/dbraw/zinc/23/94/74/345239474.db2.gz CZVHLBVCEKQEPO-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN CC[C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000058557729 345197343 /nfs/dbraw/zinc/19/73/43/345197343.db2.gz DDXRURHNWLPAKA-CYBMUJFWSA-N 0 0 262.397 3.147 20 10 CGCDRN O=[N+]([O-])c1ccc(Sc2nccs2)c(F)c1 ZINC000064915991 345266735 /nfs/dbraw/zinc/26/67/35/345266735.db2.gz ZZZQUDMIPRAJQP-UHFFFAOYSA-N 0 0 256.283 3.342 20 10 CGCDRN CN(C)c1ccc(CNc2ncnc3ccc(F)cc32)cc1 ZINC000077292731 345566469 /nfs/dbraw/zinc/56/64/69/345566469.db2.gz GLKGHJACKXMWAP-UHFFFAOYSA-N 0 0 296.349 3.447 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000122573599 370906563 /nfs/dbraw/zinc/90/65/63/370906563.db2.gz GVCQXODECBZLJL-UHFFFAOYSA-N 0 0 295.386 3.249 20 10 CGCDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC000032128489 368926490 /nfs/dbraw/zinc/92/64/90/368926490.db2.gz GGCKGIBCZNJOCD-UHFFFAOYSA-N 0 0 282.387 3.496 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cnccn1 ZINC000092590864 370098022 /nfs/dbraw/zinc/09/80/22/370098022.db2.gz MECFYZCCVXOSPE-UHFFFAOYSA-N 0 0 296.418 3.099 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000134144187 371307137 /nfs/dbraw/zinc/30/71/37/371307137.db2.gz RTLCQJJZJYOQEB-VIFPVBQESA-N 0 0 290.190 3.310 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCSC2)c1 ZINC000287128006 371608639 /nfs/dbraw/zinc/60/86/39/371608639.db2.gz RMMIMONTLWMOCP-QWHCGFSZSA-N 0 0 265.422 3.494 20 10 CGCDRN CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000287392600 371649091 /nfs/dbraw/zinc/64/90/91/371649091.db2.gz ITQPWZUKANETSW-LLVKDONJSA-N 0 0 259.271 3.370 20 10 CGCDRN COc1ccc(O)c([C@@H](C)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000287437274 371656533 /nfs/dbraw/zinc/65/65/33/371656533.db2.gz UEPKLMCUYIQSDR-AMIZOPFISA-N 0 0 289.297 3.392 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1cccc(Cl)c1[O-] ZINC000287874038 371713898 /nfs/dbraw/zinc/71/38/98/371713898.db2.gz YBDIKCNXEKAFHL-BXUZGUMPSA-N 0 0 293.798 3.372 20 10 CGCDRN CC(C)[C@@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC000294004514 372552119 /nfs/dbraw/zinc/55/21/19/372552119.db2.gz SENXAPGFTOAQIA-BVBGJJFLSA-N 0 0 289.375 3.004 20 10 CGCDRN CC1(C)C[C@@H](O)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000294699450 372667377 /nfs/dbraw/zinc/66/73/77/372667377.db2.gz AROMFXZSGUJQKO-NSHDSACASA-N 0 0 283.799 3.029 20 10 CGCDRN Cc1cccnc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000295051342 372688151 /nfs/dbraw/zinc/68/81/51/372688151.db2.gz POTWIXAMRAXVQY-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN COC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295415647 372772559 /nfs/dbraw/zinc/77/25/59/372772559.db2.gz RWOCHSZNWGMPOJ-JTQLQIEISA-N 0 0 287.762 3.043 20 10 CGCDRN CCOC(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1O ZINC000171937100 372860104 /nfs/dbraw/zinc/86/01/04/372860104.db2.gz UUBMSOLLRSBGBP-QGZVFWFLSA-N 0 0 299.370 3.128 20 10 CGCDRN Cn1cnc2cc(NCc3ccc(C(C)(C)O)cc3)ccc21 ZINC000295653025 372861547 /nfs/dbraw/zinc/86/15/47/372861547.db2.gz HNIIKNBIDMQCTG-UHFFFAOYSA-N 0 0 295.386 3.413 20 10 CGCDRN CCc1sc(C(=O)NCc2ccc(N)cc2)cc1C ZINC000297251904 373263806 /nfs/dbraw/zinc/26/38/06/373263806.db2.gz QUBNXPYWBMJSIK-UHFFFAOYSA-N 0 0 274.389 3.131 20 10 CGCDRN COCCC1(C)C[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000297421180 373270450 /nfs/dbraw/zinc/27/04/50/373270450.db2.gz NLULXXPLFCZLLC-UHFFFAOYSA-N 0 0 283.799 3.212 20 10 CGCDRN CCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298401004 373316189 /nfs/dbraw/zinc/31/61/89/373316189.db2.gz VYVHIJPZRVLYCP-UHFFFAOYSA-N 0 0 262.397 3.290 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1(c2ccccc2)CCC1 ZINC000177077854 373652717 /nfs/dbraw/zinc/65/27/17/373652717.db2.gz ITYPZRZJGPAOMI-UHFFFAOYSA-N 0 0 295.382 3.473 20 10 CGCDRN Cn1cc(CSc2ncc(C(C)(C)C)s2)cn1 ZINC000177119912 373656593 /nfs/dbraw/zinc/65/65/93/373656593.db2.gz MLNZREYAHUYZBO-UHFFFAOYSA-N 0 0 267.423 3.466 20 10 CGCDRN CC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCC1 ZINC000176647152 373620224 /nfs/dbraw/zinc/62/02/24/373620224.db2.gz LVBOIWOCKQUJKT-UHFFFAOYSA-N 0 0 299.418 3.052 20 10 CGCDRN COc1ccc(O)c(CNc2ncnc3sccc32)c1 ZINC000301246734 373710180 /nfs/dbraw/zinc/71/01/80/373710180.db2.gz BPRCFYBCZOJFDV-UHFFFAOYSA-N 0 0 287.344 3.018 20 10 CGCDRN CCCc1nnc(NCc2ccc(N(C)C)cc2)s1 ZINC000301666131 373795701 /nfs/dbraw/zinc/79/57/01/373795701.db2.gz MEMATDJDKYAXGP-UHFFFAOYSA-N 0 0 276.409 3.169 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000179678691 373903078 /nfs/dbraw/zinc/90/30/78/373903078.db2.gz BEMUXKKITSMPIT-LLVKDONJSA-N 0 0 281.783 3.047 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000179780416 373918337 /nfs/dbraw/zinc/91/83/37/373918337.db2.gz NKHZDRNHHNACIW-LLVKDONJSA-N 0 0 291.782 3.148 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]3CCCC[C@@H]32)c(O)c1O ZINC000180528801 374018118 /nfs/dbraw/zinc/01/81/18/374018118.db2.gz WYJRNCDRQZXPKF-DYEKYZERSA-N 0 0 289.375 3.057 20 10 CGCDRN CC(C)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000181003622 374067908 /nfs/dbraw/zinc/06/79/08/374067908.db2.gz UEIRDPHOKFCFMM-SOFGYWHQSA-N 0 0 277.364 3.004 20 10 CGCDRN CCc1nnc(NCc2cc(C)c(C)cc2O)s1 ZINC000181477578 374128194 /nfs/dbraw/zinc/12/81/94/374128194.db2.gz DDFOSQBYRVBNIK-UHFFFAOYSA-N 0 0 263.366 3.035 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182478397 374278499 /nfs/dbraw/zinc/27/84/99/374278499.db2.gz OQJKJIJTFGOUAM-JTQLQIEISA-N 0 0 271.788 3.339 20 10 CGCDRN CCCC(=CC(=O)NCc1ccc(O)c(O)c1)CCC ZINC000182510782 374283443 /nfs/dbraw/zinc/28/34/43/374283443.db2.gz JXWXQKDQTSWKIE-UHFFFAOYSA-N 0 0 277.364 3.241 20 10 CGCDRN CC1(C)CCCC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000182516237 374285688 /nfs/dbraw/zinc/28/56/88/374285688.db2.gz FNTOUYQBKPFTPO-CYBMUJFWSA-N 0 0 291.391 3.321 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000472221175 375010853 /nfs/dbraw/zinc/01/08/53/375010853.db2.gz MOWOPSXBUKVBGH-HALDLXJZSA-N 0 0 297.402 3.084 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000187695099 375075183 /nfs/dbraw/zinc/07/51/83/375075183.db2.gz GVINZQNZUVNTOJ-YGRLFVJLSA-N 0 0 299.361 3.262 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187919009 375117440 /nfs/dbraw/zinc/11/74/40/375117440.db2.gz CIRNBAHGLRGSMC-JTQLQIEISA-N 0 0 287.350 3.384 20 10 CGCDRN Cc1ccncc1N(C)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000492620290 375448394 /nfs/dbraw/zinc/44/83/94/375448394.db2.gz SFVDBRUCEKXDNR-XQRVVYSFSA-N 0 0 287.750 3.115 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCCCCO)cc1 ZINC000191592970 375642427 /nfs/dbraw/zinc/64/24/27/375642427.db2.gz ATYRYBJSLURXAX-UHFFFAOYSA-N 0 0 251.370 3.073 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2nc(C3CC3)no2)cc1 ZINC000191584911 375642851 /nfs/dbraw/zinc/64/28/51/375642851.db2.gz UESNHIFDAMSSCG-UHFFFAOYSA-N 0 0 287.363 3.371 20 10 CGCDRN Cc1cc(O)c(CNc2cccc(CO)c2)cc1C ZINC000191944310 375682285 /nfs/dbraw/zinc/68/22/85/375682285.db2.gz JLVUTZCYBCJDPK-UHFFFAOYSA-N 0 0 257.333 3.113 20 10 CGCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000528822537 375911151 /nfs/dbraw/zinc/91/11/51/375911151.db2.gz BCAMOYRLTGAIRY-GFCCVEGCSA-N 0 0 273.332 3.137 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@H]2CCOCO2)s1 ZINC000268355549 378054615 /nfs/dbraw/zinc/05/46/15/378054615.db2.gz VUVHNJJCALKWCW-SECBINFHSA-N 0 0 273.423 3.296 20 10 CGCDRN CC(C)(C)SCCCC(=O)NCc1ccccc1O ZINC000269887521 378278391 /nfs/dbraw/zinc/27/83/91/378278391.db2.gz BPLHVJWQAZHMGO-UHFFFAOYSA-N 0 0 281.421 3.320 20 10 CGCDRN CCN(Cc1ccncc1)c1ccc(OC)c(OC)c1 ZINC000269640379 378247597 /nfs/dbraw/zinc/24/75/97/378247597.db2.gz SDADHKFCYWGNBS-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN OCC[N@H+](Cc1ccccc1O)[C@@H]1CCCc2ccccc21 ZINC000271453979 378493857 /nfs/dbraw/zinc/49/38/57/378493857.db2.gz VKHKPVBAISRZHM-GOSISDBHSA-N 0 0 297.398 3.264 20 10 CGCDRN CCCc1nnc(NCc2cc(C)ccc2O)s1 ZINC000272005931 378543779 /nfs/dbraw/zinc/54/37/79/378543779.db2.gz XWMRSRKAGAPLQA-UHFFFAOYSA-N 0 0 263.366 3.117 20 10 CGCDRN CCCCc1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000271979154 378536143 /nfs/dbraw/zinc/53/61/43/378536143.db2.gz LXZCWLIDOFWPPU-UHFFFAOYSA-N 0 0 292.358 3.229 20 10 CGCDRN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CCO1 ZINC000272674246 378686268 /nfs/dbraw/zinc/68/62/68/378686268.db2.gz UIGRJJKNFBBFEQ-KBPBESRZSA-N 0 0 281.371 3.215 20 10 CGCDRN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)[nH]n1 ZINC000273354492 378742712 /nfs/dbraw/zinc/74/27/12/378742712.db2.gz CJILGRNWOCHUDT-RISCZKNCSA-N 0 0 287.407 3.322 20 10 CGCDRN CCOCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273391212 378744052 /nfs/dbraw/zinc/74/40/52/378744052.db2.gz KUBVAKRRPIJUNL-AWEZNQCLSA-N 0 0 265.397 3.476 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000273463114 378748870 /nfs/dbraw/zinc/74/88/70/378748870.db2.gz IKQOENHTAIAGPM-LLVKDONJSA-N 0 0 289.375 3.020 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(N)cc2)cc1 ZINC000272773822 378702193 /nfs/dbraw/zinc/70/21/93/378702193.db2.gz XXMWBALTXNYNTC-UHFFFAOYSA-N 0 0 297.402 3.045 20 10 CGCDRN Cc1nnc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)s1 ZINC000274173268 378787760 /nfs/dbraw/zinc/78/77/60/378787760.db2.gz HXRXISPLXUHJLI-UWVGGRQHSA-N 0 0 277.393 3.272 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000276981523 379036947 /nfs/dbraw/zinc/03/69/47/379036947.db2.gz VZNLSFJSAQNQHH-QWRGUYRKSA-N 0 0 297.345 3.423 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCC[C@H]2C2CC2)c1O ZINC000371419507 379162547 /nfs/dbraw/zinc/16/25/47/379162547.db2.gz MWIVWSHNEVCCFF-AWEZNQCLSA-N 0 0 261.365 3.165 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(F)cc1[O-] ZINC000278447608 379389092 /nfs/dbraw/zinc/38/90/92/379389092.db2.gz LDZCGPPVSLPZDR-DOMZBBRYSA-N 0 0 292.398 3.199 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCCO1 ZINC000282463202 379924905 /nfs/dbraw/zinc/92/49/05/379924905.db2.gz JZLJUMUCJUEPJH-MRXNPFEDSA-N 0 0 291.391 3.090 20 10 CGCDRN C[C@@H]1CC=CC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284217452 380137478 /nfs/dbraw/zinc/13/74/78/380137478.db2.gz JATKMUAURVAJTF-RHSMWYFYSA-N 0 0 286.419 3.313 20 10 CGCDRN CC[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(F)cc1[O-] ZINC000286121937 380162797 /nfs/dbraw/zinc/16/27/97/380162797.db2.gz NSDGOQLPHSXTGD-CQSZACIVSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]([NH2+]CCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000286152998 380167658 /nfs/dbraw/zinc/16/76/58/380167658.db2.gz PLMRFQGZKFYJRR-AWEZNQCLSA-N 0 0 289.354 3.079 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000286265267 380186060 /nfs/dbraw/zinc/18/60/60/380186060.db2.gz VCJFDSSZVWWRJD-ZFWWWQNUSA-N 0 0 295.379 3.367 20 10 CGCDRN Oc1c(F)cccc1CN1CCOCc2ccccc21 ZINC000291005204 285380594 /nfs/dbraw/zinc/38/05/94/285380594.db2.gz BFMGYBGBELTULE-UHFFFAOYSA-N 0 0 273.307 3.068 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C)o2)cc1Cl ZINC000121934177 392417474 /nfs/dbraw/zinc/41/74/74/392417474.db2.gz NIJWYBZGUVSFGT-UHFFFAOYSA-N 0 0 266.728 3.281 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc(Cl)c1[O-] ZINC000287626922 392402949 /nfs/dbraw/zinc/40/29/49/392402949.db2.gz KCSQVDTYGQPLFS-GXFFZTMASA-N 0 0 270.804 3.036 20 10 CGCDRN CC(C)(C)c1nsc(Sc2nccs2)n1 ZINC000158625690 392571875 /nfs/dbraw/zinc/57/18/75/392571875.db2.gz WUVDZVRLMWZCNA-UHFFFAOYSA-N 0 0 257.409 3.443 20 10 CGCDRN Nc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000238076802 393035564 /nfs/dbraw/zinc/03/55/64/393035564.db2.gz JYQATGQSNDLMFZ-UHFFFAOYSA-N 0 0 298.430 3.144 20 10 CGCDRN C[C@H]1CCC[C@@H](CCNC(=O)C2=CC(=O)CS2)C1 ZINC000734558396 572666369 /nfs/dbraw/zinc/66/63/69/572666369.db2.gz SJIHIDQRGKHHDS-QWRGUYRKSA-N 0 0 267.394 3.400 20 10 CGCDRN CN(C)C(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020125858 171009423 /nfs/dbraw/zinc/00/94/23/171009423.db2.gz YBEOGDURRKHBNR-UHFFFAOYSA-N 0 0 291.222 3.129 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H]1CCCO1 ZINC000038095643 174109730 /nfs/dbraw/zinc/10/97/30/174109730.db2.gz WLBBNYIBKTUOGE-LLVKDONJSA-N 0 0 290.190 3.358 20 10 CGCDRN CC[N@H+](CCC(=O)[O-])Cc1cc(C(C)C)c(C)cc1O ZINC000737097401 572860387 /nfs/dbraw/zinc/86/03/87/572860387.db2.gz ZFPACTUELBXMCJ-UHFFFAOYSA-N 0 0 279.380 3.121 20 10 CGCDRN Nc1ccc(CC(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000155293390 261100768 /nfs/dbraw/zinc/10/07/68/261100768.db2.gz AJIYCXZNIKBYDS-UHFFFAOYSA-N 0 0 286.419 3.383 20 10 CGCDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000161418092 261246801 /nfs/dbraw/zinc/24/68/01/261246801.db2.gz ZOEHMRCCQZPLBW-KBXCAEBGSA-N 0 0 294.398 3.216 20 10 CGCDRN Cc1nnc(CSc2ncc(C(C)(C)C)s2)o1 ZINC000164300993 261346844 /nfs/dbraw/zinc/34/68/44/261346844.db2.gz ASHYNVGBKCFFMH-UHFFFAOYSA-N 0 0 269.395 3.424 20 10 CGCDRN CSc1cncc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000131962664 264377524 /nfs/dbraw/zinc/37/75/24/264377524.db2.gz ZONHRDBWGHKTPR-UHFFFAOYSA-N 0 0 292.383 3.016 20 10 CGCDRN CC[C@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000349102020 265168219 /nfs/dbraw/zinc/16/82/19/265168219.db2.gz HTMFZGMBCSQIDY-NSHDSACASA-N 0 0 273.380 3.084 20 10 CGCDRN CC[C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000349102019 265168415 /nfs/dbraw/zinc/16/84/15/265168415.db2.gz HTMFZGMBCSQIDY-LLVKDONJSA-N 0 0 273.380 3.084 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)c3ccc[nH]3)cc2)CC1 ZINC000108294702 278551759 /nfs/dbraw/zinc/55/17/59/278551759.db2.gz PPEKLBNVQBKCLW-UHFFFAOYSA-N 0 0 297.402 3.181 20 10 CGCDRN CC[C@@H]1CCCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000301868919 280279002 /nfs/dbraw/zinc/27/90/02/280279002.db2.gz CHKNQZIEUYIVCV-LLVKDONJSA-N 0 0 294.351 3.238 20 10 CGCDRN Cc1ccc2c(c1C)N(C(=O)/C=C/c1cnccn1)CCC2 ZINC000493491249 281132053 /nfs/dbraw/zinc/13/20/53/281132053.db2.gz PXQIOQGSMBZRJB-BQYQJAHWSA-N 0 0 293.370 3.086 20 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CGCDRN CCc1nn(C)cc1N[C@@H](C)c1cc(C)ccc1O ZINC000230671434 333320553 /nfs/dbraw/zinc/32/05/53/333320553.db2.gz XSUKWMSKKRBSQA-NSHDSACASA-N 0 0 259.353 3.170 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1cc(C)ccc1O ZINC000230671438 333320562 /nfs/dbraw/zinc/32/05/62/333320562.db2.gz XSUKWMSKKRBSQA-LLVKDONJSA-N 0 0 259.353 3.170 20 10 CGCDRN CC(C)(C)c1cnc(SCC(=O)c2cnccn2)s1 ZINC000283773559 519076673 /nfs/dbraw/zinc/07/66/73/519076673.db2.gz CGFIWIYWPCDYTE-UHFFFAOYSA-N 0 0 293.417 3.206 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccoc1 ZINC000298329808 519655002 /nfs/dbraw/zinc/65/50/02/519655002.db2.gz HDJRERNEYOTRKF-UHFFFAOYSA-N 0 0 286.375 3.396 20 10 CGCDRN CC(C)n1ccc(NCc2c(O)cccc2Cl)n1 ZINC000280417609 520010995 /nfs/dbraw/zinc/01/09/95/520010995.db2.gz YZXAAWPQXIJKDU-UHFFFAOYSA-N 0 0 265.744 3.435 20 10 CGCDRN CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C ZINC000299031533 520064199 /nfs/dbraw/zinc/06/41/99/520064199.db2.gz WRDOIJDIONEXGD-UHFFFAOYSA-N 0 0 285.391 3.360 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CC(C)(F)F)cc1 ZINC000277171348 520896023 /nfs/dbraw/zinc/89/60/23/520896023.db2.gz FXERGQXDDBIHHV-UHFFFAOYSA-N 0 0 284.350 3.194 20 10 CGCDRN CCCC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236867435 521113442 /nfs/dbraw/zinc/11/34/42/521113442.db2.gz CVJYYXNRHNDDQF-GDBMZVCRSA-N 0 0 274.408 3.286 20 10 CGCDRN CCN(C[C@@H]1CCCCO1)c1ccc(OC)c(OC)c1 ZINC000299291924 521219800 /nfs/dbraw/zinc/21/98/00/521219800.db2.gz UJPNJVGPLUEOES-AWEZNQCLSA-N 0 0 279.380 3.099 20 10 CGCDRN COCCSCCCOc1ccc(N2CCCC2)cc1 ZINC000278226419 521775906 /nfs/dbraw/zinc/77/59/06/521775906.db2.gz JBAMQPRXKPLXPR-UHFFFAOYSA-N 0 0 295.448 3.435 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)C2(C)CCC2)C2CC2)cc1 ZINC000267548330 522158844 /nfs/dbraw/zinc/15/88/44/522158844.db2.gz XHCFBZIKACMJTP-UHFFFAOYSA-N 0 0 286.419 3.434 20 10 CGCDRN CCc1nc(CN(C)c2ccc(OC)cc2OC)cs1 ZINC000131663692 522291052 /nfs/dbraw/zinc/29/10/52/522291052.db2.gz CYEFKQUYOGABPP-UHFFFAOYSA-N 0 0 292.404 3.359 20 10 CGCDRN COc1cc(NCc2ccccc2O)cc(OC)c1C ZINC000292763688 522748325 /nfs/dbraw/zinc/74/83/25/522748325.db2.gz SCOQWHCDCSSMLO-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CN(Cc1cc(C(C)(C)C)on1)Cc1ccccc1O ZINC000278511139 523168811 /nfs/dbraw/zinc/16/88/11/523168811.db2.gz BJHINRGORLMXNI-UHFFFAOYSA-N 0 0 274.364 3.310 20 10 CGCDRN Cc1cc(NCc2ccc(N3CC=CC3)cc2)nc(C)n1 ZINC000265810875 525279174 /nfs/dbraw/zinc/27/91/74/525279174.db2.gz FMFKFPUDMDDWRW-UHFFFAOYSA-N 0 0 280.375 3.082 20 10 CGCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000278587254 525780642 /nfs/dbraw/zinc/78/06/42/525780642.db2.gz DRAPJZIPRDREKS-HNNXBMFYSA-N 0 0 291.778 3.177 20 10 CGCDRN C[C@@]1(CCCO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000290300232 525826463 /nfs/dbraw/zinc/82/64/63/525826463.db2.gz BGLYFGRIVSCRAZ-HNNXBMFYSA-N 0 0 283.799 3.173 20 10 CGCDRN COc1cccc(CNC(=O)c2ccoc2C(C)C)c1O ZINC000280791296 526006463 /nfs/dbraw/zinc/00/64/63/526006463.db2.gz UQIXTDZZRSGVBS-UHFFFAOYSA-N 0 0 289.331 3.047 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C12CCC(CC1)C2 ZINC000366684276 526327723 /nfs/dbraw/zinc/32/77/23/526327723.db2.gz WFVFXUZGZQPQMN-UHFFFAOYSA-N 0 0 251.757 3.468 20 10 CGCDRN Oc1cc2c(cc1CNc1ccc3c(c1)CCC3)OCO2 ZINC000042879194 526336286 /nfs/dbraw/zinc/33/62/86/526336286.db2.gz QSBJOOMUSQDPSA-UHFFFAOYSA-N 0 0 283.327 3.222 20 10 CGCDRN O=C(C[C@@H]1CCc2ccccc2C1)NCc1ccccc1O ZINC000264825755 527130392 /nfs/dbraw/zinc/13/03/92/527130392.db2.gz HDAKKRJLNMKDOK-CQSZACIVSA-N 0 0 295.382 3.204 20 10 CGCDRN O=C(C[C@H]1CCc2ccccc2C1)NCc1ccccc1O ZINC000264825754 527174823 /nfs/dbraw/zinc/17/48/23/527174823.db2.gz HDAKKRJLNMKDOK-AWEZNQCLSA-N 0 0 295.382 3.204 20 10 CGCDRN Cc1nccn1CCN(C)c1ccc(OC(C)C)cc1 ZINC000277016191 527425352 /nfs/dbraw/zinc/42/53/52/527425352.db2.gz AADHWZUIHBINLX-UHFFFAOYSA-N 0 0 273.380 3.115 20 10 CGCDRN CC(C)c1ccccc1N(C)C(=O)C=Cc1c[nH]cn1 ZINC000493013048 535376299 /nfs/dbraw/zinc/37/62/99/535376299.db2.gz FOISEPZOPMHUEJ-HJWRWDBZSA-N 0 0 269.348 3.209 20 10 CGCDRN CCN(C(=O)/C=C/c1cncs1)c1cccc(F)c1 ZINC000493323972 535655459 /nfs/dbraw/zinc/65/54/59/535655459.db2.gz PPGMIONSOXNETR-VOTSOKGWSA-N 0 0 276.336 3.349 20 10 CGCDRN CCc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728985337 571852252 /nfs/dbraw/zinc/85/22/52/571852252.db2.gz WNEUPOCBUMQDAS-LBPRGKRZSA-N 0 0 299.370 3.454 20 10 CGCDRN COc1ccc(-n2c(C)cc(C(=O)NC3CCC3)c2C)cc1 ZINC000730554764 572363008 /nfs/dbraw/zinc/36/30/08/572363008.db2.gz JUORPLZDPBZZDS-UHFFFAOYSA-N 0 0 298.386 3.385 20 10 CGCDRN Cc1cccc(NC(=S)NCc2cccn2C)c1C ZINC000743062328 572393729 /nfs/dbraw/zinc/39/37/29/572393729.db2.gz XQHSURXEXOFSHX-UHFFFAOYSA-N 0 0 273.405 3.129 20 10 CGCDRN O=C(NC1(c2cccc(F)c2)CC1)C1=CC(=O)CS1 ZINC000740142155 572434118 /nfs/dbraw/zinc/43/41/18/572434118.db2.gz JQRRUWUTPACJKO-UHFFFAOYSA-N 0 0 277.320 3.012 20 10 CGCDRN Cc1occc1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000725848663 572440813 /nfs/dbraw/zinc/44/08/13/572440813.db2.gz AYWCCTLFYMXHRI-UHFFFAOYSA-N 0 0 296.710 3.145 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H]1c1ccccc1 ZINC000732269578 572456078 /nfs/dbraw/zinc/45/60/78/572456078.db2.gz FXKNWQDTUYDKBW-LBPRGKRZSA-N 0 0 259.330 3.041 20 10 CGCDRN C[C@H]1C[C@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000740918471 572468530 /nfs/dbraw/zinc/46/85/30/572468530.db2.gz FTHYEVPBFOMINH-GJZGRUSLSA-N 0 0 299.418 3.003 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCCOC(C)C ZINC000741775359 572525956 /nfs/dbraw/zinc/52/59/56/572525956.db2.gz QHDOQISPNQWBNV-UHFFFAOYSA-N 0 0 263.381 3.263 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnccc1C ZINC000742057211 572551850 /nfs/dbraw/zinc/55/18/50/572551850.db2.gz LJIZWULRFTWQGV-UHFFFAOYSA-N 0 0 297.402 3.118 20 10 CGCDRN CC1CCN(c2ccc(CNc3cccnn3)cc2)CC1 ZINC000742405397 572577241 /nfs/dbraw/zinc/57/72/41/572577241.db2.gz HKMMEKHWXKRTFK-UHFFFAOYSA-N 0 0 282.391 3.325 20 10 CGCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)c1cccs1 ZINC000734020559 572624739 /nfs/dbraw/zinc/62/47/39/572624739.db2.gz TZYFVDIDXUHQFB-UHFFFAOYSA-N 0 0 281.402 3.223 20 10 CGCDRN 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Cc1cc(O)c(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000833746861 604646423 /nfs/dbraw/zinc/64/64/23/604646423.db2.gz KNRXGPIIEKBRFS-KRWDZBQOSA-N 0 0 299.370 3.267 20 10 CGCDRN CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cn1 ZINC000160174365 617610408 /nfs/dbraw/zinc/61/04/08/617610408.db2.gz FWISUADDCRUETP-UHFFFAOYSA-N 0 0 297.402 3.201 20 10 CGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000042846430 617661249 /nfs/dbraw/zinc/66/12/49/617661249.db2.gz VAPMDJWSXIZWTE-ZDUSSCGKSA-N 0 0 284.359 3.295 20 10 CGCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccccc1 ZINC000007667143 617669287 /nfs/dbraw/zinc/66/92/87/617669287.db2.gz DYXQZINBHKOEJK-UHFFFAOYSA-N 0 0 292.294 3.470 20 10 CGCDRN CCC(CC)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000019679280 617792046 /nfs/dbraw/zinc/79/20/46/617792046.db2.gz CVCMYSXBXHOIDC-UHFFFAOYSA-N 0 0 285.347 3.169 20 10 CGCDRN CC(=O)CCC(C)(C)C(=O)NCc1cccc(Cl)c1O ZINC000890759616 617815390 /nfs/dbraw/zinc/81/53/90/617815390.db2.gz FBNGFAHVJIJAFI-UHFFFAOYSA-N 0 0 297.782 3.057 20 10 CGCDRN C[C@@H](Cc1ccco1)C(=O)NCc1cccc(Cl)c1O ZINC000890761376 617817050 /nfs/dbraw/zinc/81/70/50/617817050.db2.gz PWHWBTQMUFHQDC-JTQLQIEISA-N 0 0 293.750 3.134 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(F)cc(F)c1[O-] ZINC000806177923 617818244 /nfs/dbraw/zinc/81/82/44/617818244.db2.gz ABEHEKYLEWRQJV-ZJUUUORDSA-N 0 0 287.375 3.464 20 10 CGCDRN CCOC(=O)CCCCCSc1nccs1 ZINC000070596974 617957099 /nfs/dbraw/zinc/95/70/99/617957099.db2.gz UHHHEYSSEBSDEY-UHFFFAOYSA-N 0 0 259.396 3.359 20 10 CGCDRN CCOc1ccccc1NC(=O)CSc1nccs1 ZINC000047241411 618042558 /nfs/dbraw/zinc/04/25/58/618042558.db2.gz XPHNATCKWRTNAJ-UHFFFAOYSA-N 0 0 294.401 3.273 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000087778555 618087522 /nfs/dbraw/zinc/08/75/22/618087522.db2.gz ZHBIACJEBRXKSN-BXUZGUMPSA-N 0 0 259.353 3.065 20 10 CGCDRN Cc1cccc([C@@H](C)CNC(=O)Cc2ccc(N)cc2)c1 ZINC000160732588 618138224 /nfs/dbraw/zinc/13/82/24/618138224.db2.gz DIPDAJLYVPHXHC-AWEZNQCLSA-N 0 0 282.387 3.040 20 10 CGCDRN O=C1NC(=S)S/C1=C/c1cccc(-c2cccnc2)c1 ZINC000255380739 618244906 /nfs/dbraw/zinc/24/49/06/618244906.db2.gz QIPNDCMVTLRCKQ-MDWZMJQESA-N 0 0 298.392 3.237 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)cc1 ZINC000255392417 618267237 /nfs/dbraw/zinc/26/72/37/618267237.db2.gz RIXPMUAOQOQSGV-TWGQIWQCSA-N 0 0 266.344 3.375 20 10 CGCDRN COc1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)c(O)c1 ZINC000043571999 618610317 /nfs/dbraw/zinc/61/03/17/618610317.db2.gz UKOYHXWMTTUEDU-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCc3c2cccc3C)c1 ZINC000255516201 618640771 /nfs/dbraw/zinc/64/07/71/618640771.db2.gz WWQRVEWWGCEILH-SREVYHEPSA-N 0 0 278.355 3.301 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc3ncccc32)c(O)c1O ZINC000179388069 618780417 /nfs/dbraw/zinc/78/04/17/618780417.db2.gz STLVWLOZDPKOOW-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN CN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)c1ccon1 ZINC000892451235 618788704 /nfs/dbraw/zinc/78/87/04/618788704.db2.gz SHQRUYVTGQLQLR-WAYWQWQTSA-N 0 0 291.376 3.105 20 10 CGCDRN O=[N+]([O-])c1ccc(NCc2ccccc2O)c2ncccc12 ZINC000318305852 618790493 /nfs/dbraw/zinc/79/04/93/618790493.db2.gz OJIIYVAZUMYNJJ-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN CC[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)OC ZINC000177129457 618802760 /nfs/dbraw/zinc/80/27/60/618802760.db2.gz NNOKJPRWPZBJDS-QMMMGPOBSA-N 0 0 273.423 3.484 20 10 CGCDRN CC[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000013214071 618831593 /nfs/dbraw/zinc/83/15/93/618831593.db2.gz XDMUQPNLTXRFKP-VIFPVBQESA-N 0 0 278.377 3.451 20 10 CGCDRN CCC(CC)NC(=O)NCCCSc1nccs1 ZINC000177717712 618837272 /nfs/dbraw/zinc/83/72/72/618837272.db2.gz WCJXYNANPQIJLQ-UHFFFAOYSA-N 0 0 287.454 3.113 20 10 CGCDRN C[C@H](NC(=O)NCCC1CC=CC1)c1ccccc1O ZINC000926727904 618845338 /nfs/dbraw/zinc/84/53/38/618845338.db2.gz PEQGWUWFBWPVSC-LBPRGKRZSA-N 0 0 274.364 3.109 20 10 CGCDRN Cn1ncc([N+](=O)[O-])c1Sc1ncc(C(C)(C)C)s1 ZINC000892917016 618953845 /nfs/dbraw/zinc/95/38/45/618953845.db2.gz OIHWGTGTNPQGQV-UHFFFAOYSA-N 0 0 298.393 3.234 20 10 CGCDRN COc1ccc(CNCc2csc(C)n2)cc1C ZINC000040443885 618964393 /nfs/dbraw/zinc/96/43/93/618964393.db2.gz OBEMAHZCCXWOGQ-UHFFFAOYSA-N 0 0 262.378 3.058 20 10 CGCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1nccs1 ZINC000893019544 618978834 /nfs/dbraw/zinc/97/88/34/618978834.db2.gz VKOXMWHSJYOEOO-ZDUSSCGKSA-N 0 0 290.388 3.034 20 10 CGCDRN Cc1ccc(F)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180588048 619017337 /nfs/dbraw/zinc/01/73/37/619017337.db2.gz XBNTZSZFVYVETI-QPJJXVBHSA-N 0 0 287.290 3.197 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(-c3ccco3)o2)cc1C ZINC000181489726 619026220 /nfs/dbraw/zinc/02/62/20/619026220.db2.gz BDNSHLNSGNSEDU-UHFFFAOYSA-N 0 0 285.303 3.264 20 10 CGCDRN C[C@H](NC(=O)c1cccc(O)c1O)[C@@H](C)c1ccccc1 ZINC000185789691 619065077 /nfs/dbraw/zinc/06/50/77/619065077.db2.gz FIUVVVBEPHDBLC-NEPJUHHUSA-N 0 0 285.343 3.020 20 10 CGCDRN CCc1nn(C)cc1CN(C)c1ccc(OC(C)C)cc1 ZINC000192036988 619115200 /nfs/dbraw/zinc/11/52/00/619115200.db2.gz NBLUVVBWLKABQV-UHFFFAOYSA-N 0 0 287.407 3.406 20 10 CGCDRN C[C@H](Nc1cccc(CCO)c1)c1cc(F)ccc1O ZINC000313148618 619163942 /nfs/dbraw/zinc/16/39/42/619163942.db2.gz XJVVMSLQJKSYQU-NSHDSACASA-N 0 0 275.323 3.239 20 10 CGCDRN COc1ccc(CN(C)c2cccc(C)c2)c(O)c1OC ZINC000893452185 619179087 /nfs/dbraw/zinc/17/90/87/619179087.db2.gz UJVGDOMYBYEVJL-UHFFFAOYSA-N 0 0 287.359 3.354 20 10 CGCDRN COc1cc(C)cc(CN2CCn3cccc3[C@@H]2C)c1O ZINC000893879738 619326510 /nfs/dbraw/zinc/32/65/10/619326510.db2.gz IMQSAJGDOXKMCH-ZDUSSCGKSA-N 0 0 286.375 3.088 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000893948012 619338811 /nfs/dbraw/zinc/33/88/11/619338811.db2.gz PODMFKRUEZLMLL-OAHLLOKOSA-N 0 0 290.313 3.403 20 10 CGCDRN CSCC[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894038752 619356071 /nfs/dbraw/zinc/35/60/71/619356071.db2.gz FOXMFOUQQCAMHP-VIFPVBQESA-N 0 0 275.364 3.244 20 10 CGCDRN CN(Cc1ccnc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000178879068 619426363 /nfs/dbraw/zinc/42/63/63/619426363.db2.gz HOVSXDPTVMJBID-UHFFFAOYSA-N 0 0 276.723 3.100 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)Nc1ccccc1 ZINC000048874687 619649188 /nfs/dbraw/zinc/64/91/88/619649188.db2.gz VFOUIRSBPJXJMY-VIFPVBQESA-N 0 0 264.375 3.262 20 10 CGCDRN Cn1ccc2c1cccc2NC(=O)NCc1ccccc1O ZINC000727031092 619737209 /nfs/dbraw/zinc/73/72/09/619737209.db2.gz DSHUOEGHTRFKKC-UHFFFAOYSA-N 0 0 295.342 3.206 20 10 CGCDRN CCO[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C1(CC)CC ZINC000749545728 619737768 /nfs/dbraw/zinc/73/77/68/619737768.db2.gz WBMJXXPFMFSNBM-STQMWFEESA-N 0 0 297.420 3.167 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(CCF)CC1 ZINC000895440273 619830025 /nfs/dbraw/zinc/83/00/25/619830025.db2.gz SHMYZQIPWBDHRH-UHFFFAOYSA-N 0 0 273.298 3.242 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000895841218 619892025 /nfs/dbraw/zinc/89/20/25/619892025.db2.gz ADPDYUMAKLBNLK-LRDDRELGSA-N 0 0 295.810 3.355 20 10 CGCDRN COc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1C ZINC000896642539 620039997 /nfs/dbraw/zinc/03/99/97/620039997.db2.gz ZQESMNKKJDSLPP-UHFFFAOYSA-N 0 0 275.323 3.138 20 10 CGCDRN C[C@@H](CCC(F)(F)F)[NH2+]Cc1c([O-])cccc1F ZINC000896638591 620041332 /nfs/dbraw/zinc/04/13/32/620041332.db2.gz VZZIEOBQLPZMCF-QMMMGPOBSA-N 0 0 265.250 3.352 20 10 CGCDRN CS[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896640057 620041516 /nfs/dbraw/zinc/04/15/16/620041516.db2.gz OQHCHSXGHVXNPT-MNOVXSKESA-N 0 0 269.385 3.295 20 10 CGCDRN CC[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796960378 620170501 /nfs/dbraw/zinc/17/05/01/620170501.db2.gz GCTFDLIIWGYWJD-SNVBAGLBSA-N 0 0 281.249 3.108 20 10 CGCDRN CC(C)c1cncc(NCc2cc3c(cc2O)OCO3)c1 ZINC000897707289 620420234 /nfs/dbraw/zinc/42/02/34/620420234.db2.gz KNYFRNQQQICLNJ-UHFFFAOYSA-N 0 0 286.331 3.251 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(C2CC2)cn1 ZINC000897712786 620422347 /nfs/dbraw/zinc/42/23/47/620422347.db2.gz UKDVGZIWBMTVEZ-UHFFFAOYSA-N 0 0 258.296 3.416 20 10 CGCDRN CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c(O)c1 ZINC000897952694 620453930 /nfs/dbraw/zinc/45/39/30/620453930.db2.gz IWCLGMBJCBXYHJ-KCPJHIHWSA-N 0 0 261.365 3.069 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898112454 620479432 /nfs/dbraw/zinc/47/94/32/620479432.db2.gz RPJWYJLRLDKNMF-CYBMUJFWSA-N 0 0 281.783 3.237 20 10 CGCDRN CCc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000898219074 620489556 /nfs/dbraw/zinc/48/95/56/620489556.db2.gz UGZISGJYVBISHZ-UHFFFAOYSA-N 0 0 265.740 3.491 20 10 CGCDRN COc1ccc(NCc2ccc(N(C)C)cc2C)cc1N ZINC000841040058 620518029 /nfs/dbraw/zinc/51/80/29/620518029.db2.gz HLZTYZKEOYHRPX-UHFFFAOYSA-N 0 0 285.391 3.264 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CC=CC[C@H]1C)c1ccccc1O ZINC000898879616 620605947 /nfs/dbraw/zinc/60/59/47/620605947.db2.gz GZUUMGYRZHQAON-YRGRVCCFSA-N 0 0 274.364 3.107 20 10 CGCDRN Cc1ccc(C[C@@H](C)NC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000237510197 620865638 /nfs/dbraw/zinc/86/56/38/620865638.db2.gz XZGRPBZNRPVIMB-OAHLLOKOSA-N 0 0 296.414 3.176 20 10 CGCDRN COC(=O)[C@H]1CCCC[C@@H]1CSc1nccs1 ZINC000901479106 620891581 /nfs/dbraw/zinc/89/15/81/620891581.db2.gz ZUONYVIHHYAXTG-ZJUUUORDSA-N 0 0 271.407 3.215 20 10 CGCDRN Cc1ccc2c(c1)/C(=C/c1cncn1C(C)C)C(=O)N2C ZINC000901511484 620902726 /nfs/dbraw/zinc/90/27/26/620902726.db2.gz VYXMZXOZVXBGHT-NVNXTCNLSA-N 0 0 281.359 3.289 20 10 CGCDRN CC(C)(C)c1cnc(SCCNC(=O)C2CC2)s1 ZINC000901508811 620906547 /nfs/dbraw/zinc/90/65/47/620906547.db2.gz IUMBYFLVYLCIJO-UHFFFAOYSA-N 0 0 284.450 3.059 20 10 CGCDRN CC(C)Nc1ccccc1NC[C@H]1C[C@]12CCOC2 ZINC000902104287 621136747 /nfs/dbraw/zinc/13/67/47/621136747.db2.gz AJSJCGXNECKLDM-CJNGLKHVSA-N 0 0 260.381 3.345 20 10 CGCDRN COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000903330095 621704106 /nfs/dbraw/zinc/70/41/06/621704106.db2.gz HRMVESRCHRCLEN-BDAKNGLRSA-N 0 0 273.323 3.135 20 10 CGCDRN Cc1nc(C)c(/C=C2\c3cc(C)ccc3N(C)C2=O)o1 ZINC000905077651 622032815 /nfs/dbraw/zinc/03/28/15/622032815.db2.gz ZWUZJCRMRUCCDH-MDWZMJQESA-N 0 0 268.316 3.117 20 10 CGCDRN CCCc1nccnc1NCc1cc(F)cc(F)c1O ZINC000905416200 622070825 /nfs/dbraw/zinc/07/08/25/622070825.db2.gz BFGBSCBUFUVAHA-UHFFFAOYSA-N 0 0 279.290 3.025 20 10 CGCDRN CC(C)(C)OC(=O)NCc1cccc(Cl)c1O ZINC000908328201 622344553 /nfs/dbraw/zinc/34/45/53/622344553.db2.gz IRSOMZBCQCVAJF-UHFFFAOYSA-N 0 0 257.717 3.070 20 10 CGCDRN C/C=C\C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000912905158 622711581 /nfs/dbraw/zinc/71/15/81/622711581.db2.gz DBHDUORWTHIHCB-YVMONPNESA-N 0 0 260.381 3.067 20 10 CGCDRN CC1(C[NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000165478005 622864282 /nfs/dbraw/zinc/86/42/82/622864282.db2.gz FLKXKHWRFMUBIT-UHFFFAOYSA-N 0 0 284.197 3.435 20 10 CGCDRN COc1cccc(CNc2ccccc2N(C)C)c1O ZINC000057716621 622882930 /nfs/dbraw/zinc/88/29/30/622882930.db2.gz YUKPYPICLUBGFA-UHFFFAOYSA-N 0 0 272.348 3.079 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(Cl)nc1 ZINC000226664389 622993820 /nfs/dbraw/zinc/99/38/20/622993820.db2.gz YISHMVXQNNDHRQ-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN CCOCCSc1ncc(-c2ccccc2)n1C ZINC000060733101 623062750 /nfs/dbraw/zinc/06/27/50/623062750.db2.gz QTDAILQMUFWFFX-UHFFFAOYSA-N 0 0 262.378 3.216 20 10 CGCDRN CCCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000170994466 623123195 /nfs/dbraw/zinc/12/31/95/623123195.db2.gz UCBAZVAQQCPGSN-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN CC1(C)CCN(C(=O)Nc2ccc(N)cc2)CCS1 ZINC000231053420 623297132 /nfs/dbraw/zinc/29/71/32/623297132.db2.gz FOHGVZDGIHSWJF-UHFFFAOYSA-N 0 0 279.409 3.018 20 10 CGCDRN Oc1ccc(-c2csc(NCC3CCC3)n2)cc1O ZINC000063630348 623343471 /nfs/dbraw/zinc/34/34/71/623343471.db2.gz XKKWREDXXFMDPO-UHFFFAOYSA-N 0 0 276.361 3.433 20 10 CGCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(C)cc1C ZINC000914514772 623818526 /nfs/dbraw/zinc/81/85/26/623818526.db2.gz QFTYVQVDDRSWKX-CLFYSBASSA-N 0 0 283.375 3.103 20 10 CGCDRN Fc1ccc(CNC(=S)Nc2cccc(Cl)c2)nc1 ZINC000763164683 623866063 /nfs/dbraw/zinc/86/60/63/623866063.db2.gz FGNLBVTULLQISM-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN Oc1cc2c(cc1CNc1cnc3ccccc3c1)OCO2 ZINC000238142236 624000458 /nfs/dbraw/zinc/00/04/58/624000458.db2.gz XSDSKLFGDKEKIZ-UHFFFAOYSA-N 0 0 294.310 3.281 20 10 CGCDRN CC1=NO[C@@H](CSc2ncc(-c3ccccc3)n2C)C1 ZINC000916202945 624122038 /nfs/dbraw/zinc/12/20/38/624122038.db2.gz IDRVJODBUFVHOR-CYBMUJFWSA-N 0 0 287.388 3.344 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)n2C)cc1 ZINC000916502653 624168061 /nfs/dbraw/zinc/16/80/61/624168061.db2.gz SAWTXPZIQZJZEY-UHFFFAOYSA-N 0 0 299.418 3.110 20 10 CGCDRN CCCN(CC(F)(F)F)C(=O)CSc1nccs1 ZINC000917668544 624303837 /nfs/dbraw/zinc/30/38/37/624303837.db2.gz AWSXYDNWWUSWJZ-UHFFFAOYSA-N 0 0 298.355 3.036 20 10 CGCDRN COC(=O)/C=C(/C)CSc1ncc(Cl)s1 ZINC000918094787 624333534 /nfs/dbraw/zinc/33/35/34/624333534.db2.gz BYGKWOMXVASJFN-UTCJRWHESA-N 0 0 263.771 3.008 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cscc2C)c1 ZINC000175263590 624624152 /nfs/dbraw/zinc/62/41/52/624624152.db2.gz BUUNEOUMEWNKLI-JTQLQIEISA-N 0 0 291.372 3.262 20 10 CGCDRN CN(Cc1cc(F)ccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000179933422 624697785 /nfs/dbraw/zinc/69/77/85/624697785.db2.gz KJKVDZCDSSXFOI-UHFFFAOYSA-N 0 0 290.294 3.072 20 10 CGCDRN CC(C)CCC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180624143 624761005 /nfs/dbraw/zinc/76/10/05/624761005.db2.gz PURIOZFTCJGQCE-FROQITRMSA-N 0 0 291.391 3.442 20 10 CGCDRN COc1cc(O)c(CN(C)c2ccc(C)cc2)cc1OC ZINC000180665376 624766654 /nfs/dbraw/zinc/76/66/54/624766654.db2.gz TYBVUJYKSYWESW-UHFFFAOYSA-N 0 0 287.359 3.354 20 10 CGCDRN Cc1ccc(C(=O)N2CCC(C(C)(C)C)CC2)c(O)c1O ZINC000182458030 625003794 /nfs/dbraw/zinc/00/37/94/625003794.db2.gz GMEDDQSHYZDREL-UHFFFAOYSA-N 0 0 291.391 3.305 20 10 CGCDRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182830095 625032736 /nfs/dbraw/zinc/03/27/36/625032736.db2.gz IDWPIJHXVRQENA-RISCZKNCSA-N 0 0 291.391 3.447 20 10 CGCDRN C[C@@H](Nc1cnn(Cc2ccncc2)c1)c1ccccc1O ZINC000183672682 625103994 /nfs/dbraw/zinc/10/39/94/625103994.db2.gz PYHKPQZLKPNEGA-CYBMUJFWSA-N 0 0 294.358 3.205 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756355991 625898697 /nfs/dbraw/zinc/89/86/97/625898697.db2.gz YFONVNXGYWQIIW-MEBBXXQBSA-N 0 0 293.313 3.055 20 10 CGCDRN CN(C(=O)C1CC1)c1ccc(NCc2ccccc2O)cc1 ZINC000922567488 626013909 /nfs/dbraw/zinc/01/39/09/626013909.db2.gz JRLRPZFQRWHWLD-UHFFFAOYSA-N 0 0 296.370 3.377 20 10 CGCDRN COc1cccc(CNc2ccc3c(c2)C[C@@H](C)O3)c1O ZINC000922906841 626099723 /nfs/dbraw/zinc/09/97/23/626099723.db2.gz BAKICHIOIDMARK-LLVKDONJSA-N 0 0 285.343 3.336 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000840818951 626329898 /nfs/dbraw/zinc/32/98/98/626329898.db2.gz DPGXIFSFBMCOAS-IDTSFGKNSA-N 0 0 289.375 3.018 20 10 CGCDRN CN1CCc2cc(/C=C3\C(=O)Nc4ccccc43)ccc21 ZINC000751526693 626394111 /nfs/dbraw/zinc/39/41/11/626394111.db2.gz OCOLLCUIXSKPJV-PTNGSMBKSA-N 0 0 276.339 3.172 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC2(C)C)cc1F ZINC000751941724 626412593 /nfs/dbraw/zinc/41/25/93/626412593.db2.gz YEZRXJODHHSHLZ-CYBMUJFWSA-N 0 0 292.398 3.334 20 10 CGCDRN CCN(CC[C@H]1CCCCO1)c1ccc(OC)c(OC)c1 ZINC000754058094 626473787 /nfs/dbraw/zinc/47/37/87/626473787.db2.gz DGXFFOPTWFRQOV-OAHLLOKOSA-N 0 0 293.407 3.489 20 10 CGCDRN COc1ccc(N(C)CC[C@@H]2CCCCO2)c(OC)c1 ZINC000754069445 626474378 /nfs/dbraw/zinc/47/43/78/626474378.db2.gz FUXNXERNQHNNOI-ZDUSSCGKSA-N 0 0 279.380 3.099 20 10 CGCDRN Cc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC000754086001 626474846 /nfs/dbraw/zinc/47/48/46/626474846.db2.gz UMCRLUDORBETNN-UHFFFAOYSA-N 0 0 299.370 3.031 20 10 CGCDRN CCC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756341675 626693293 /nfs/dbraw/zinc/69/32/93/626693293.db2.gz RDNZLNZYHGRXLH-VHSXEESVSA-N 0 0 252.314 3.140 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000756409054 626702628 /nfs/dbraw/zinc/70/26/28/626702628.db2.gz XBGMXZAFESHKHO-NSHDSACASA-N 0 0 290.319 3.095 20 10 CGCDRN C[C@H]([NH2+]CCc1ccc(O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756453821 626707107 /nfs/dbraw/zinc/70/71/07/626707107.db2.gz ABNFWXVVJLRVND-JTQLQIEISA-N 0 0 293.313 3.269 20 10 CGCDRN CCCCOCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756503424 626710558 /nfs/dbraw/zinc/71/05/58/626710558.db2.gz LJEQJRMZJRKDQJ-JTQLQIEISA-N 0 0 273.323 3.138 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000756595913 626719286 /nfs/dbraw/zinc/71/92/86/626719286.db2.gz ZYFDTRIAPSBGAB-ISVAXAHUSA-N 0 0 299.342 3.116 20 10 CGCDRN Cc1cnc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756606878 626720431 /nfs/dbraw/zinc/72/04/31/626720431.db2.gz FGDOXZZYRYUKGV-MRVPVSSYSA-N 0 0 284.331 3.286 20 10 CGCDRN CN(Cc1cc(F)ccc1F)c1ccc2c(c1)OCO2 ZINC000756654669 626724779 /nfs/dbraw/zinc/72/47/79/626724779.db2.gz LEVXUHCLKOZJHU-UHFFFAOYSA-N 0 0 277.270 3.330 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756678751 626726757 /nfs/dbraw/zinc/72/67/57/626726757.db2.gz YFYKOLBZGCRCEX-VWYCJHECSA-N 0 0 285.334 3.136 20 10 CGCDRN Cc1nnc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000757637205 626796311 /nfs/dbraw/zinc/79/63/11/626796311.db2.gz GJDFLDVKBSJNEQ-GMSGAONNSA-N 0 0 293.367 3.029 20 10 CGCDRN CCC[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000759537573 626904895 /nfs/dbraw/zinc/90/48/95/626904895.db2.gz APXZUMUWFSXQSZ-SNVBAGLBSA-N 0 0 287.454 3.113 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC23CCC3)cc1 ZINC000759719963 626917654 /nfs/dbraw/zinc/91/76/54/626917654.db2.gz QYNCJQLVGUQYBY-MRXNPFEDSA-N 0 0 286.419 3.339 20 10 CGCDRN COC(=O)/C(C)=C/CN(C)c1ccc(OC(C)C)cc1 ZINC000759913449 626930647 /nfs/dbraw/zinc/93/06/47/626930647.db2.gz CDLJCXZLFGSNOT-JLHYYAGUSA-N 0 0 277.364 3.029 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CCC2 ZINC000760123340 626940407 /nfs/dbraw/zinc/94/04/07/626940407.db2.gz WYAUKPQAWAUSIL-AWEZNQCLSA-N 0 0 273.376 3.321 20 10 CGCDRN COc1ccc(N(C)Cc2scnc2C)cc1OC ZINC000761221385 627026391 /nfs/dbraw/zinc/02/63/91/627026391.db2.gz LLCNAQYSKIADTO-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN COCCCCc1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000761879339 627071087 /nfs/dbraw/zinc/07/10/87/627071087.db2.gz BSLDKVNQRBSLPX-UHFFFAOYSA-N 0 0 297.358 3.496 20 10 CGCDRN CC(C)(C)C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000839794417 627112169 /nfs/dbraw/zinc/11/21/69/627112169.db2.gz WJKWTFPOVNRVFV-JTQLQIEISA-N 0 0 267.394 3.352 20 10 CGCDRN CCc1cccc(NC(=S)NCc2ccc(F)cn2)c1 ZINC000763167178 627143048 /nfs/dbraw/zinc/14/30/48/627143048.db2.gz QIFZILFMWUVBNX-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN CCOc1cccc(CN2CCc3c2cccc3F)c1O ZINC000764676587 627217804 /nfs/dbraw/zinc/21/78/04/627217804.db2.gz BCZRNLRKVITFPZ-UHFFFAOYSA-N 0 0 287.334 3.493 20 10 CGCDRN CC(C)(C)n1cnc(NCc2c(O)cccc2Cl)n1 ZINC000765950835 627280795 /nfs/dbraw/zinc/28/07/95/627280795.db2.gz YTIMWQKBRKARBY-UHFFFAOYSA-N 0 0 280.759 3.004 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCc2ccccc21 ZINC000766079536 627293187 /nfs/dbraw/zinc/29/31/87/627293187.db2.gz WZQIHIWCEZTMOL-UHFFFAOYSA-N 0 0 259.330 3.047 20 10 CGCDRN Cc1ccc(O)c(CNc2nc3c(cccc3F)n2C)c1 ZINC000766106694 627295822 /nfs/dbraw/zinc/29/58/22/627295822.db2.gz GJRLAGOSSYEWBE-UHFFFAOYSA-N 0 0 285.322 3.339 20 10 CGCDRN CCOC(=O)[C@@H](NCc1cc(C)c(C)cc1O)C(C)(C)C ZINC000768527105 627483806 /nfs/dbraw/zinc/48/38/06/627483806.db2.gz BZJNKZZZBHCBFC-OAHLLOKOSA-N 0 0 293.407 3.076 20 10 CGCDRN CC(=O)N1CCc2c1cccc2N[C@@H](C)c1ccccc1O ZINC000769418537 627550676 /nfs/dbraw/zinc/55/06/76/627550676.db2.gz SAOGWNAYZDHBSU-LBPRGKRZSA-N 0 0 296.370 3.474 20 10 CGCDRN CCCC[C@@H](CC)C(=O)NCc1cc(OC)ccc1O ZINC000769530460 627563135 /nfs/dbraw/zinc/56/31/35/627563135.db2.gz BLQVQAYMBOUTDH-GFCCVEGCSA-N 0 0 279.380 3.233 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c(O)c1O ZINC000770502558 627623587 /nfs/dbraw/zinc/62/35/87/627623587.db2.gz NQLITNAVSMCTHL-QWHCGFSZSA-N 0 0 299.370 3.328 20 10 CGCDRN CC(C)c1nsc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000770965518 627667063 /nfs/dbraw/zinc/66/70/63/627667063.db2.gz KOJVTNYYANDJQJ-UHFFFAOYSA-N 0 0 290.436 3.364 20 10 CGCDRN C[C@@H](Nc1ncnc2c1CCC2)c1ccc(N(C)C)cc1 ZINC000772301387 627782932 /nfs/dbraw/zinc/78/29/32/627782932.db2.gz TXECXEHETBZNJA-GFCCVEGCSA-N 0 0 282.391 3.204 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccsc1)c1ccc(N(C)C)cc1 ZINC000773009657 627841329 /nfs/dbraw/zinc/84/13/29/627841329.db2.gz PSORFJSBNGIOHE-GFCCVEGCSA-N 0 0 288.416 3.234 20 10 CGCDRN C[C@@H](NC(=O)CSC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773009639 627841368 /nfs/dbraw/zinc/84/13/68/627841368.db2.gz LIEOSPFWRLMADY-GFCCVEGCSA-N 0 0 294.464 3.462 20 10 CGCDRN C[C@@H](NC(=O)Cc1cccs1)c1ccc(N(C)C)cc1 ZINC000773010253 627841376 /nfs/dbraw/zinc/84/13/76/627841376.db2.gz SIPFRERBXYMDOE-GFCCVEGCSA-N 0 0 288.416 3.234 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H](C)n1cccc1)c1ccc(N(C)C)cc1 ZINC000773015413 627842485 /nfs/dbraw/zinc/84/24/85/627842485.db2.gz OFHFELTVFRKDRT-HUUCEWRRSA-N 0 0 299.418 3.383 20 10 CGCDRN C[C@H](NC(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773112530 627857879 /nfs/dbraw/zinc/85/78/79/627857879.db2.gz LKZBFZYOZKBCKG-LBPRGKRZSA-N 0 0 275.396 3.055 20 10 CGCDRN C[C@@H](NC(=O)N1C[C@H](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773617043 627900682 /nfs/dbraw/zinc/90/06/82/627900682.db2.gz MPKLHWUYAWIXOI-HZSPNIEDSA-N 0 0 289.423 3.111 20 10 CGCDRN C[C@H](NC(=O)N1C[C@H](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773617048 627900903 /nfs/dbraw/zinc/90/09/03/627900903.db2.gz MPKLHWUYAWIXOI-MJBXVCDLSA-N 0 0 289.423 3.111 20 10 CGCDRN COc1c([O-])c(C[NH2+]C[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775015678 628053882 /nfs/dbraw/zinc/05/38/82/628053882.db2.gz VKRXBXBEUKGJKG-JTQLQIEISA-N 0 0 296.367 3.081 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775675772 628123953 /nfs/dbraw/zinc/12/39/53/628123953.db2.gz BWXHOBQWCUOROM-MRVPVSSYSA-N 0 0 275.776 3.122 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000775725699 628129423 /nfs/dbraw/zinc/12/94/23/628129423.db2.gz LXJLAOJWOYPYRT-MNOVXSKESA-N 0 0 299.773 3.043 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000775735959 628131484 /nfs/dbraw/zinc/13/14/84/628131484.db2.gz HLMGTZQIYQRHSO-IINYFYTJSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000775738553 628131504 /nfs/dbraw/zinc/13/15/04/628131504.db2.gz HFPIBPHKGSHNTI-JSGCOSHPSA-N 0 0 295.810 3.294 20 10 CGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000776177515 628176850 /nfs/dbraw/zinc/17/68/50/628176850.db2.gz QSEVNSHTZZZOIO-UONOGXRCSA-N 0 0 295.810 3.483 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000776248034 628183816 /nfs/dbraw/zinc/18/38/16/628183816.db2.gz IRIARWZANOVVQD-LBPRGKRZSA-N 0 0 299.773 3.376 20 10 CGCDRN C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776240523 628183951 /nfs/dbraw/zinc/18/39/51/628183951.db2.gz YXLNVQXYMPROCS-MJBXVCDLSA-N 0 0 289.423 3.396 20 10 CGCDRN C[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000776236969 628183955 /nfs/dbraw/zinc/18/39/55/628183955.db2.gz DLYQQTOPWNUMSY-OLZOCXBDSA-N 0 0 289.423 3.254 20 10 CGCDRN CC(C)[C@@H]1CCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776239268 628183998 /nfs/dbraw/zinc/18/39/98/628183998.db2.gz OKWSNYUOQYLTOY-BBRMVZONSA-N 0 0 289.423 3.254 20 10 CGCDRN CCc1nn(C)cc1NCc1cc(Cl)cc(F)c1O ZINC000776255302 628185543 /nfs/dbraw/zinc/18/55/43/628185543.db2.gz BMWRHZIDWQCUKD-UHFFFAOYSA-N 0 0 283.734 3.093 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000776478059 628213024 /nfs/dbraw/zinc/21/30/24/628213024.db2.gz AVESWLNHYKHFLL-JSGCOSHPSA-N 0 0 287.403 3.323 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000776473203 628213062 /nfs/dbraw/zinc/21/30/62/628213062.db2.gz HCPYPINDCYAHAZ-SRVKXCTJSA-N 0 0 277.364 3.014 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CC=CCC2)c1O ZINC000778966717 628380464 /nfs/dbraw/zinc/38/04/64/628380464.db2.gz MIFUVZSWPBVLIR-UHFFFAOYSA-N 0 0 265.740 3.010 20 10 CGCDRN CC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCCC1 ZINC000779530435 628416546 /nfs/dbraw/zinc/41/65/46/628416546.db2.gz XVJQXCBDINPOFV-VURMDHGXSA-N 0 0 289.375 3.198 20 10 CGCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000779883083 628439756 /nfs/dbraw/zinc/43/97/56/628439756.db2.gz BNCFNRQSKOFYCC-ZIAGYGMSSA-N 0 0 288.435 3.367 20 10 CGCDRN CCOc1ccc(N(C)Cc2scnc2C)cc1 ZINC000780773912 628516444 /nfs/dbraw/zinc/51/64/44/628516444.db2.gz DOLHIYWEUJZMJF-UHFFFAOYSA-N 0 0 262.378 3.487 20 10 CGCDRN COc1ccc(N(C)Cc2coc(C3CC3)n2)cc1F ZINC000780779674 628516946 /nfs/dbraw/zinc/51/69/46/628516946.db2.gz SJQPGBIJGRTNCO-UHFFFAOYSA-N 0 0 276.311 3.336 20 10 CGCDRN Cc1nc2c(s1)[C@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC000780788951 628518431 /nfs/dbraw/zinc/51/84/31/628518431.db2.gz FHCYJHZWIICCSE-SNVBAGLBSA-N 0 0 294.401 3.026 20 10 CGCDRN CC/C(C)=C(/C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000780858441 628520527 /nfs/dbraw/zinc/52/05/27/628520527.db2.gz ICRUTBAWLDKVJC-YPKPFQOOSA-N 0 0 274.408 3.457 20 10 CGCDRN CC/C(C)=C(\C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000780858440 628520637 /nfs/dbraw/zinc/52/06/37/628520637.db2.gz ICRUTBAWLDKVJC-BUHFOSPRSA-N 0 0 274.408 3.457 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000781616810 628579771 /nfs/dbraw/zinc/57/97/71/628579771.db2.gz QYHVNJDSFKLVAA-IUODEOHRSA-N 0 0 297.402 3.408 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC(C)(C)C2)c1 ZINC000783310012 628702464 /nfs/dbraw/zinc/70/24/64/628702464.db2.gz KYRBLZGHDSPIAA-NSHDSACASA-N 0 0 291.391 3.266 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C34CCC(CC3)C4)ccc21 ZINC000783942699 628758891 /nfs/dbraw/zinc/75/88/91/628758891.db2.gz QPFAOZZGESFKOK-UHFFFAOYSA-N 0 0 298.430 3.266 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](F)C(C)C ZINC000784438295 628813846 /nfs/dbraw/zinc/81/38/46/628813846.db2.gz OGNXMVZJTTZPTE-AWEZNQCLSA-N 0 0 267.344 3.125 20 10 CGCDRN C[C@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)CC1 ZINC000786005773 628907252 /nfs/dbraw/zinc/90/72/52/628907252.db2.gz XMRCEJDKMQXQCG-VHSXEESVSA-N 0 0 253.367 3.152 20 10 CGCDRN C[C@H](Nc1ncncc1Cl)c1ccc(N(C)C)cc1 ZINC000786796897 628963848 /nfs/dbraw/zinc/96/38/48/628963848.db2.gz LZRHUHKPCAMQTR-JTQLQIEISA-N 0 0 276.771 3.369 20 10 CGCDRN Cc1cccc(CN[C@@H](C(C)C)C(F)(F)F)c1O ZINC000787440433 629012387 /nfs/dbraw/zinc/01/23/87/629012387.db2.gz NEARJIVTXWCQDR-LBPRGKRZSA-N 0 0 261.287 3.377 20 10 CGCDRN C[C@@H]([NH2+]CCC(C)(C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000788753601 629078948 /nfs/dbraw/zinc/07/89/48/629078948.db2.gz LRDYTBDRNZPOHI-SECBINFHSA-N 0 0 291.313 3.223 20 10 CGCDRN C[C@@H]([NH2+]CCC[C@H](C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000788796287 629082821 /nfs/dbraw/zinc/08/28/21/629082821.db2.gz FBCOTCWYARCWBF-VHSXEESVSA-N 0 0 291.313 3.223 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CC[C@@H](C)O1 ZINC000789362390 629127788 /nfs/dbraw/zinc/12/77/88/629127788.db2.gz JLOBMNIEIAITBJ-CZUORRHYSA-N 0 0 275.392 3.405 20 10 CGCDRN CON(Cc1cc2c(cc1O)CCC2)CC(C)(C)C ZINC000789531967 629142205 /nfs/dbraw/zinc/14/22/05/629142205.db2.gz SUYMOCFYOSVULI-UHFFFAOYSA-N 0 0 263.381 3.290 20 10 CGCDRN CC(C)=CCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000790503581 629214242 /nfs/dbraw/zinc/21/42/42/629214242.db2.gz WAMRANKJTXFALW-AWEZNQCLSA-N 0 0 289.423 3.469 20 10 CGCDRN CC(C)=CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000790501093 629214431 /nfs/dbraw/zinc/21/44/31/629214431.db2.gz FXZOUYOWJDPRRI-CYBMUJFWSA-N 0 0 275.396 3.079 20 10 CGCDRN Cc1ccccc1[C@@H](NC(=O)c1cccc(O)c1O)C1CC1 ZINC000790707333 629226572 /nfs/dbraw/zinc/22/65/72/629226572.db2.gz NAQDVEDAXNTULH-INIZCTEOSA-N 0 0 297.354 3.287 20 10 CGCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]2CCCC[C@H]12 ZINC000790861897 629238148 /nfs/dbraw/zinc/23/81/48/629238148.db2.gz NOOMNADBZKEVLR-YRGRVCCFSA-N 0 0 289.375 3.139 20 10 CGCDRN CC1(C)c2ccccc2CCN1C(=O)c1cccc(O)c1O ZINC000790917229 629240590 /nfs/dbraw/zinc/24/05/90/629240590.db2.gz ZUEBQCYEBANNIM-UHFFFAOYSA-N 0 0 297.354 3.031 20 10 CGCDRN CC1(C)C[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790959204 629243611 /nfs/dbraw/zinc/24/36/11/629243611.db2.gz XBSDYPHEVVTHKC-QMMMGPOBSA-N 0 0 257.736 3.320 20 10 CGCDRN CCC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790975073 629245007 /nfs/dbraw/zinc/24/50/07/629245007.db2.gz ZWGPWUQUNKQACB-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN CC1(C)CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000790987433 629246902 /nfs/dbraw/zinc/24/69/02/629246902.db2.gz DNKZEFBUVAKVJW-SECBINFHSA-N 0 0 287.762 3.232 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2[C@H](C)C[C@H]2C)c1O ZINC000791567641 629289645 /nfs/dbraw/zinc/28/96/45/629289645.db2.gz TWKAMDWJJNBJAV-RKDXNWHRSA-N 0 0 267.756 3.231 20 10 CGCDRN C[N@H+](CCC1CC1)Cc1c([O-])ccc(Cl)c1F ZINC000792172612 629344080 /nfs/dbraw/zinc/34/40/80/629344080.db2.gz HMBURBUPABRIRJ-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792961412 629397402 /nfs/dbraw/zinc/39/74/02/629397402.db2.gz WRRIRRSDNMJMSZ-VXGBXAGGSA-N 0 0 294.395 3.025 20 10 CGCDRN Cc1cccc(C[N@@H+]2CCOc3cc(F)ccc3C2)c1O ZINC000862549589 629401222 /nfs/dbraw/zinc/40/12/22/629401222.db2.gz BAKKBKBVVKQHDS-UHFFFAOYSA-N 0 0 287.334 3.234 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCNc2ccccc2C)c1 ZINC000862759910 629430728 /nfs/dbraw/zinc/43/07/28/629430728.db2.gz MSKIPEAEUCTSRF-UHFFFAOYSA-N 0 0 298.386 3.127 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)COc2c(C)cccc2C)c1 ZINC000862761134 629431882 /nfs/dbraw/zinc/43/18/82/629431882.db2.gz FSKYDLIWYDIDQJ-UHFFFAOYSA-N 0 0 299.370 3.013 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(C2CC2)ccn1 ZINC000794101075 629515379 /nfs/dbraw/zinc/51/53/79/629515379.db2.gz KRCXHLURNOHINX-KXFIGUGUSA-N 0 0 296.326 3.022 20 10 CGCDRN CCCc1nc(C)c(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000794435099 629543247 /nfs/dbraw/zinc/54/32/47/629543247.db2.gz GUXPPPJAMZCPHN-UHFFFAOYSA-N 0 0 288.347 3.301 20 10 CGCDRN Cc1cc(Cn2ccnc2C2CC2)ccc1N(C)C ZINC000863384897 629555367 /nfs/dbraw/zinc/55/53/67/629555367.db2.gz DSGGFFFRSQSXOM-UHFFFAOYSA-N 0 0 255.365 3.183 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC(F)(F)C2)cc1 ZINC000794882170 629593867 /nfs/dbraw/zinc/59/38/67/629593867.db2.gz MJKQDPMWRCRDLA-ZDUSSCGKSA-N 0 0 296.361 3.146 20 10 CGCDRN CN(CCOC1CCCCCC1)c1ccc(N)cc1 ZINC000863556645 629604799 /nfs/dbraw/zinc/60/47/99/629604799.db2.gz AYKRSUDURNRNOW-UHFFFAOYSA-N 0 0 262.397 3.444 20 10 CGCDRN COc1ccc(CNc2ncnc3cccc(F)c32)c(O)c1 ZINC000795284130 629656252 /nfs/dbraw/zinc/65/62/52/629656252.db2.gz INIVBQDQQAGQCF-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN COc1ccc(CNc2cccc(F)c2C(C)=O)c(O)c1 ZINC000795284088 629656292 /nfs/dbraw/zinc/65/62/92/629656292.db2.gz HUXSDDPRPMKVIF-UHFFFAOYSA-N 0 0 289.306 3.355 20 10 CGCDRN C/C=C\C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000863945044 629704089 /nfs/dbraw/zinc/70/40/89/629704089.db2.gz WAUZIIWAOQDPDN-OTDNITJGSA-N 0 0 293.338 3.055 20 10 CGCDRN CC[C@@H](C)CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000795830492 629719287 /nfs/dbraw/zinc/71/92/87/629719287.db2.gz VDHJHKJTLQBJAB-GFCCVEGCSA-N 0 0 280.387 3.334 20 10 CGCDRN c1cc(COc2ccc(N3CCCC3)cc2)cc2nonc12 ZINC000864046181 629738483 /nfs/dbraw/zinc/73/84/83/629738483.db2.gz DQMJBEFGXVQAJW-UHFFFAOYSA-N 0 0 295.342 3.402 20 10 CGCDRN CCC(C)(C)CCNC(=O)N(C)Cc1ccccc1O ZINC000875980496 634760041 /nfs/dbraw/zinc/76/00/41/634760041.db2.gz IOLBEMOSTGZJAJ-UHFFFAOYSA-N 0 0 278.396 3.360 20 10 CGCDRN COc1ccc(N(Cc2ccnc(C)n2)C(C)C)cc1F ZINC000796448281 629782268 /nfs/dbraw/zinc/78/22/68/629782268.db2.gz RWBTYXSWNMGMTD-UHFFFAOYSA-N 0 0 289.354 3.348 20 10 CGCDRN COc1ccc(N(CCC(C)C)Cc2nnc(C)o2)cc1 ZINC000796503091 629790774 /nfs/dbraw/zinc/79/07/74/629790774.db2.gz HCTYVZOBQIWZBI-UHFFFAOYSA-N 0 0 289.379 3.439 20 10 CGCDRN COc1ccc(N(CCC(C)C)Cc2ccn(C)n2)cc1 ZINC000796506302 629791789 /nfs/dbraw/zinc/79/17/89/629791789.db2.gz YRHJDGXQHGYQHS-UHFFFAOYSA-N 0 0 287.407 3.481 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1ccc(F)cc1[O-] ZINC000796856712 629849159 /nfs/dbraw/zinc/84/91/59/629849159.db2.gz WSLFGFFDMAMPND-WPGHFRTFSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864632830 629882016 /nfs/dbraw/zinc/88/20/16/629882016.db2.gz ROVZFDLILBTVJR-ISWURRPUSA-N 0 0 286.419 3.003 20 10 CGCDRN CC(C)CCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000205035304 629924705 /nfs/dbraw/zinc/92/47/05/629924705.db2.gz SZEJCOCAMCFISM-VURMDHGXSA-N 0 0 264.321 3.090 20 10 CGCDRN COc1ccc(N(Cc2ccco2)C[C@@H](C)CO)cc1F ZINC000121443739 634774439 /nfs/dbraw/zinc/77/44/39/634774439.db2.gz XDABRIHEMUAHPW-GFCCVEGCSA-N 0 0 293.338 3.062 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CCC(F)(F)C2)cc1 ZINC000797798418 629984416 /nfs/dbraw/zinc/98/44/16/629984416.db2.gz XWBZXBBNZPJMIE-CYBMUJFWSA-N 0 0 296.361 3.194 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000798091806 630021624 /nfs/dbraw/zinc/02/16/24/630021624.db2.gz GWVPPKALTUUTLF-WKILWMFISA-N 0 0 296.370 3.138 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc([C@@H]2C[C@H]2C)o1 ZINC000865294210 630056785 /nfs/dbraw/zinc/05/67/85/630056785.db2.gz JEJDGFZQEXCTOX-BXUZGUMPSA-N 0 0 286.379 3.180 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000798965433 630132086 /nfs/dbraw/zinc/13/20/86/630132086.db2.gz XOEKKGDMBUPLMZ-GFCCVEGCSA-N 0 0 287.762 3.186 20 10 CGCDRN COC(=O)CC1(CN(C)c2ccc(OC)c(Cl)c2)CC1 ZINC000799305038 630164199 /nfs/dbraw/zinc/16/41/99/630164199.db2.gz PERNRTDZTKQJHL-UHFFFAOYSA-N 0 0 297.782 3.128 20 10 CGCDRN CC1CCN(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000799746966 630230152 /nfs/dbraw/zinc/23/01/52/630230152.db2.gz MZMHRXCGZCYTKI-UHFFFAOYSA-N 0 0 289.423 3.036 20 10 CGCDRN CCN1C(=O)/C(=C\c2cccc(OC)c2F)SC1=S ZINC000799888852 630239695 /nfs/dbraw/zinc/23/96/95/630239695.db2.gz KTEIXYXTDJBIIO-JXMROGBWSA-N 0 0 297.376 3.055 20 10 CGCDRN COc1ccc(O)c(CN2CCCC[C@@H]2C(F)F)c1 ZINC000800533088 630291934 /nfs/dbraw/zinc/29/19/34/630291934.db2.gz GQLNQPODOCCBFK-GFCCVEGCSA-N 0 0 271.307 3.020 20 10 CGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000836790531 634803136 /nfs/dbraw/zinc/80/31/36/634803136.db2.gz HWAZFJQKPHUAPG-QPJKDDTCSA-N 0 0 289.375 3.054 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1ccsc1 ZINC000801065927 630322397 /nfs/dbraw/zinc/32/23/97/630322397.db2.gz GLEIEFVLNYACBJ-SNVBAGLBSA-N 0 0 276.361 3.014 20 10 CGCDRN C[C@@H]1CC=C(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000836763690 634798639 /nfs/dbraw/zinc/79/86/39/634798639.db2.gz ZVNURVCSSOOXSZ-GFCCVEGCSA-N 0 0 259.349 3.097 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCSC ZINC000802085543 630377267 /nfs/dbraw/zinc/37/72/67/630377267.db2.gz DGZAJNIPIXHHKJ-UHFFFAOYSA-N 0 0 296.436 3.067 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1cnn2c1CCCC2 ZINC000865709189 630399223 /nfs/dbraw/zinc/39/92/23/630399223.db2.gz DOHJLFPGTSQHFB-UHFFFAOYSA-N 0 0 277.755 3.191 20 10 CGCDRN Oc1c(F)cccc1CNc1ccc(OC(F)F)nc1 ZINC000802660979 630403835 /nfs/dbraw/zinc/40/38/35/630403835.db2.gz BNZMSLZCZZQKRY-UHFFFAOYSA-N 0 0 284.237 3.140 20 10 CGCDRN CC[C@H](CCO)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806141796 630546921 /nfs/dbraw/zinc/54/69/21/630546921.db2.gz VZXQDAWLYVRNNT-MFKMUULPSA-N 0 0 271.788 3.247 20 10 CGCDRN CC[C@H]([NH2+]CCc1ccnn1C)c1cccc(Cl)c1[O-] ZINC000806160832 630551355 /nfs/dbraw/zinc/55/13/55/630551355.db2.gz VESDOWMHGKCNDW-AWEZNQCLSA-N 0 0 293.798 3.063 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806169082 630552488 /nfs/dbraw/zinc/55/24/88/630552488.db2.gz HYIVOPXMQBFQGT-RNCFNFMXSA-N 0 0 264.325 3.140 20 10 CGCDRN Cc1cc(CCNC(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000806971321 630580320 /nfs/dbraw/zinc/58/03/20/630580320.db2.gz ZEMJUKRSDROUAN-UHFFFAOYSA-N 0 0 299.418 3.344 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(n2)CCC3=O)cc1F ZINC000807950897 630608482 /nfs/dbraw/zinc/60/84/82/630608482.db2.gz YITAKYWQUZPNNT-UHFFFAOYSA-N 0 0 299.349 3.028 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CC1=CCCOC1 ZINC000811508253 631078840 /nfs/dbraw/zinc/07/88/40/631078840.db2.gz IMLOSUWWTQCAHG-UHFFFAOYSA-N 0 0 273.376 3.185 20 10 CGCDRN CC(=O)c1ccc(NCc2c(O)ccc3c2CCCC3)nc1 ZINC000811808244 631121798 /nfs/dbraw/zinc/12/17/98/631121798.db2.gz ATRDXHNCSBTSDN-UHFFFAOYSA-N 0 0 296.370 3.481 20 10 CGCDRN Cc1nccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000811824799 631124846 /nfs/dbraw/zinc/12/48/46/631124846.db2.gz UNMBMUBBQWQKKI-UHFFFAOYSA-N 0 0 286.766 3.127 20 10 CGCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC ZINC000812023078 631141893 /nfs/dbraw/zinc/14/18/93/631141893.db2.gz AOTSPAPCWOOUTK-LBPRGKRZSA-N 0 0 288.395 3.154 20 10 CGCDRN CCCc1nsc(N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000812458685 631263426 /nfs/dbraw/zinc/26/34/26/631263426.db2.gz MDMBXXPWBJNVGR-SECBINFHSA-N 0 0 293.392 3.378 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC(C2CC2)C1 ZINC000812775894 631305841 /nfs/dbraw/zinc/30/58/41/631305841.db2.gz PJJXPGLWBMYHQN-UHFFFAOYSA-N 0 0 255.720 3.027 20 10 CGCDRN COCC1(CN2CCCc3cc(OC)ccc32)CCC1 ZINC000812823040 631319904 /nfs/dbraw/zinc/31/99/04/631319904.db2.gz SGSGXDMGZYFGPZ-UHFFFAOYSA-N 0 0 275.392 3.265 20 10 CGCDRN CC[C@@H]1CC[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000837095001 634853400 /nfs/dbraw/zinc/85/34/00/634853400.db2.gz NNQASPOKIJOGNP-BPDPDCLSSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1cc(CN2CCC[C@H]2C(F)F)ccc1N(C)C ZINC000815078705 631712841 /nfs/dbraw/zinc/71/28/41/631712841.db2.gz GAVNMKKENLEQEC-AWEZNQCLSA-N 0 0 268.351 3.291 20 10 CGCDRN COc1ccc(F)c(CNc2ccc3c(c2)ncn3C)c1 ZINC000815132389 631726471 /nfs/dbraw/zinc/72/64/71/631726471.db2.gz VQMCEGNYAHHJFQ-UHFFFAOYSA-N 0 0 285.322 3.333 20 10 CGCDRN CC(C)C1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000815151237 631731759 /nfs/dbraw/zinc/73/17/59/631731759.db2.gz MIDQILZJAZWDKS-UHFFFAOYSA-N 0 0 284.743 3.232 20 10 CGCDRN Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815595169 631802163 /nfs/dbraw/zinc/80/21/63/631802163.db2.gz JFCUVEKFWFUZJR-SECBINFHSA-N 0 0 299.296 3.293 20 10 CGCDRN C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815615871 631807003 /nfs/dbraw/zinc/80/70/03/631807003.db2.gz ZPUJCFOPUWFXEC-UTLUCORTSA-N 0 0 291.313 3.221 20 10 CGCDRN CC[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])OC ZINC000815628060 631808637 /nfs/dbraw/zinc/80/86/37/631808637.db2.gz QJWSQBVUZWCLFQ-NXEZZACHSA-N 0 0 291.313 3.487 20 10 CGCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815627847 631808738 /nfs/dbraw/zinc/80/87/38/631808738.db2.gz LDNLDKZTKWTVFZ-UTLUCORTSA-N 0 0 291.313 3.485 20 10 CGCDRN C[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532812 632006008 /nfs/dbraw/zinc/00/60/08/632006008.db2.gz WFYSKOLHXBGIIC-VIFPVBQESA-N 0 0 283.730 3.499 20 10 CGCDRN C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609311 632023763 /nfs/dbraw/zinc/02/37/63/632023763.db2.gz XMBUIURXGDZJEI-HQJQHLMTSA-N 0 0 275.776 3.026 20 10 CGCDRN CC(C)(C)C1CC([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000816641713 632030694 /nfs/dbraw/zinc/03/06/94/632030694.db2.gz CPGKRJADVFFYJG-UHFFFAOYSA-N 0 0 251.345 3.446 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000817515734 632180056 /nfs/dbraw/zinc/18/00/56/632180056.db2.gz NIOMBYTYQGHFSF-XHSDSOJGSA-N 0 0 286.419 3.147 20 10 CGCDRN C[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1O ZINC000817953315 632248058 /nfs/dbraw/zinc/24/80/58/632248058.db2.gz ZZANMHNBRXFKJO-IUCAKERBSA-N 0 0 289.206 3.102 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000817968187 632261729 /nfs/dbraw/zinc/26/17/29/632261729.db2.gz HEIGYIBZZVSCBQ-SWHYSGLUSA-N 0 0 282.815 3.084 20 10 CGCDRN Cn1cccc1C1=NNC(=Nc2ccc(F)cc2)SC1 ZINC000818328874 632307423 /nfs/dbraw/zinc/30/74/23/632307423.db2.gz YAZBEIJEINAWBQ-UHFFFAOYSA-N 0 0 288.351 3.083 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000818347155 632312133 /nfs/dbraw/zinc/31/21/33/632312133.db2.gz XPWSEEWSHDESKN-WBIUFABUSA-N 0 0 290.363 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)cc(Cl)c1[O-] ZINC000818358017 632314619 /nfs/dbraw/zinc/31/46/19/632314619.db2.gz NXYLCYAVXZSYQG-QJPTWQEYSA-N 0 0 290.190 3.263 20 10 CGCDRN C[C@@]1(C(=O)Nc2ccc(N)cc2)CCc2ccccc2C1 ZINC000818556231 632333888 /nfs/dbraw/zinc/33/38/88/632333888.db2.gz CIBSZBJUPJYCRR-GOSISDBHSA-N 0 0 280.371 3.403 20 10 CGCDRN COc1ccccc1NC[C@H](O)CCc1ccccc1 ZINC000819394358 632448738 /nfs/dbraw/zinc/44/87/38/632448738.db2.gz ZUHXKIZJKYODNI-OAHLLOKOSA-N 0 0 271.360 3.101 20 10 CGCDRN C[C@H]1CCCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820007782 632559294 /nfs/dbraw/zinc/55/92/94/632559294.db2.gz JFZIDRRWVHIIIA-NSHDSACASA-N 0 0 288.351 3.254 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000820153764 632580168 /nfs/dbraw/zinc/58/01/68/632580168.db2.gz ZZJVEGPXCRBQNX-NSHDSACASA-N 0 0 294.395 3.025 20 10 CGCDRN CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000865872923 632932721 /nfs/dbraw/zinc/93/27/21/632932721.db2.gz WPFMJUVYFUWTMK-IVZVJUQRSA-N 0 0 296.418 3.087 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000822497964 632947268 /nfs/dbraw/zinc/94/72/68/632947268.db2.gz PZCHYTQAVOPOGV-WCQYABFASA-N 0 0 251.757 3.324 20 10 CGCDRN CC/C(C)=C/C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000822809563 633025169 /nfs/dbraw/zinc/02/51/69/633025169.db2.gz XRYQLKCJIOIBAN-WYMLVPIESA-N 0 0 274.408 3.457 20 10 CGCDRN CC(C)c1cc(N[C@@H](C)c2ccccc2O)n2ncnc2n1 ZINC000866236515 633037852 /nfs/dbraw/zinc/03/78/52/633037852.db2.gz BULPMWZRUURHPW-NSHDSACASA-N 0 0 297.362 3.126 20 10 CGCDRN F[C@@H]1COc2ccccc2[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000866251871 633045711 /nfs/dbraw/zinc/04/57/11/633045711.db2.gz BWJISJDPTCWFAA-QAPCUYQASA-N 0 0 299.345 3.183 20 10 CGCDRN Cn1c(Cl)cnc1CNc1ccccc1OCCF ZINC000824559173 633259660 /nfs/dbraw/zinc/25/96/60/633259660.db2.gz JETZNFJQLAVHAE-UHFFFAOYSA-N 0 0 283.734 3.034 20 10 CGCDRN CS[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824683769 633273327 /nfs/dbraw/zinc/27/33/27/633273327.db2.gz UYQJILIPSJYXEE-SNVBAGLBSA-N 0 0 275.776 3.122 20 10 CGCDRN CS[C@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868321035 633314125 /nfs/dbraw/zinc/31/41/25/633314125.db2.gz NPMNMMMTTIGOOQ-SRVKXCTJSA-N 0 0 294.420 3.037 20 10 CGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@H](CO)CC(C)(C)C ZINC000825039982 633321148 /nfs/dbraw/zinc/32/11/48/633321148.db2.gz DZDVFITYBUHIQU-LBPRGKRZSA-N 0 0 285.815 3.275 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CC12CCCCC2)c1ccccc1O ZINC000868471276 633327463 /nfs/dbraw/zinc/32/74/63/633327463.db2.gz NBGJEXAHTXBFBZ-SWLSCSKDSA-N 0 0 288.391 3.475 20 10 CGCDRN COC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000825321725 633345061 /nfs/dbraw/zinc/34/50/61/633345061.db2.gz MGJLNRPQNHZNFA-GFCCVEGCSA-N 0 0 283.799 3.294 20 10 CGCDRN CC/C(C)=C\C(=O)NCc1ccc(N(C)C)cc1C ZINC000825980384 633393922 /nfs/dbraw/zinc/39/39/22/633393922.db2.gz BCGIPJMAXIZJJA-XFXZXTDPSA-N 0 0 260.381 3.034 20 10 CGCDRN CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000826910509 633443307 /nfs/dbraw/zinc/44/33/07/633443307.db2.gz JHTKREDALPESQD-SNVBAGLBSA-N 0 0 296.367 3.223 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(C(C)C)n1 ZINC000827081724 633454592 /nfs/dbraw/zinc/45/45/92/633454592.db2.gz ROCGNPOPMNKMAB-UHFFFAOYSA-N 0 0 298.386 3.491 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000827474930 633492858 /nfs/dbraw/zinc/49/28/58/633492858.db2.gz PBJGONDXXSDTRM-QJPTWQEYSA-N 0 0 296.461 3.178 20 10 CGCDRN COc1ccc(N(C)CC2CC(F)(F)C2)cc1OC ZINC000827491705 633494264 /nfs/dbraw/zinc/49/42/64/633494264.db2.gz ONABCMXRPAOABI-UHFFFAOYSA-N 0 0 271.307 3.185 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1O ZINC000827923205 633534880 /nfs/dbraw/zinc/53/48/80/633534880.db2.gz LQPRGWUUPNOFRU-CYBMUJFWSA-N 0 0 295.382 3.301 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)c1cccs1)c1ccccc1O ZINC000827936708 633536659 /nfs/dbraw/zinc/53/66/59/633536659.db2.gz AUVICMGVLAPAIW-WDEREUQCSA-N 0 0 275.373 3.435 20 10 CGCDRN C[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000827937025 633536707 /nfs/dbraw/zinc/53/67/07/633536707.db2.gz INHGXKPETOKAGL-UPJWGTAASA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)C[C@H](C)c1ccncc1)c1ccccc1O ZINC000827937381 633537701 /nfs/dbraw/zinc/53/77/01/633537701.db2.gz ULNFCLJPNCDKEV-QWHCGFSZSA-N 0 0 284.359 3.158 20 10 CGCDRN C[C@@H](NC(=O)C=C1CCSCC1)c1ccccc1O ZINC000827941628 633538413 /nfs/dbraw/zinc/53/84/13/633538413.db2.gz UEKFUCXERJJKDZ-LLVKDONJSA-N 0 0 277.389 3.023 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000827952350 633538916 /nfs/dbraw/zinc/53/89/16/633538916.db2.gz OWYPJHHEWXVYHX-UPJWGTAASA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCCCCC(=O)C1)c1ccccc1O ZINC000827947045 633539039 /nfs/dbraw/zinc/53/90/39/633539039.db2.gz ZJSPJFXULKBPAA-OLZOCXBDSA-N 0 0 289.375 3.109 20 10 CGCDRN C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)c1ccccc1O ZINC000827952633 633539956 /nfs/dbraw/zinc/53/99/56/633539956.db2.gz ZDXQUFZDXVWKAQ-SECBINFHSA-N 0 0 287.281 3.302 20 10 CGCDRN C[C@H](NC(=O)/C=C/C1CCCC1)c1ccccc1O ZINC000827960874 633541378 /nfs/dbraw/zinc/54/13/78/633541378.db2.gz YFBAEQGPPZJJBA-IIANPFDCSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCc2cccc(O)c21)c1ccccc1O ZINC000827964717 633541707 /nfs/dbraw/zinc/54/17/07/633541707.db2.gz SDGBSLRFINYLQM-SMDDNHRTSA-N 0 0 297.354 3.005 20 10 CGCDRN CC(C(=O)N[C@@H](C)c1ccccc1O)=C1CCCC1 ZINC000827973343 633543280 /nfs/dbraw/zinc/54/32/80/633543280.db2.gz MALTYRKSFJGRCX-LBPRGKRZSA-N 0 0 259.349 3.460 20 10 CGCDRN C[C@H](NC(=O)CO[C@@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000827978636 633543995 /nfs/dbraw/zinc/54/39/95/633543995.db2.gz YUPQGWSBTRZRMS-MELADBBJSA-N 0 0 291.391 3.165 20 10 CGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000881428653 636108160 /nfs/dbraw/zinc/10/81/60/636108160.db2.gz ITPIRQWNULMESO-CXAGYDPISA-N 0 0 273.376 3.451 20 10 CGCDRN CCOC(=O)c1ccc(CSc2nccs2)nc1 ZINC000829099869 633692529 /nfs/dbraw/zinc/69/25/29/633692529.db2.gz AQSKWSDTMREOCR-UHFFFAOYSA-N 0 0 280.374 3.007 20 10 CGCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871200115 633722091 /nfs/dbraw/zinc/72/20/91/633722091.db2.gz ZBLYQUHJYHLSGC-ZDUSSCGKSA-N 0 0 281.355 3.428 20 10 CGCDRN CCC[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000871204523 633724401 /nfs/dbraw/zinc/72/44/01/633724401.db2.gz FHHCEVFPGKUPQT-AWEZNQCLSA-N 0 0 296.370 3.213 20 10 CGCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)C1CCC1 ZINC000871205936 633725322 /nfs/dbraw/zinc/72/53/22/633725322.db2.gz OPNCEDBKOBIHQM-UHFFFAOYSA-N 0 0 259.349 3.061 20 10 CGCDRN O=C([C@H]1CCCC[C@@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871205706 633725371 /nfs/dbraw/zinc/72/53/71/633725371.db2.gz KGFSMWXMYSJVPI-CABCVRRESA-N 0 0 285.387 3.451 20 10 CGCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccco1 ZINC000871208169 633726607 /nfs/dbraw/zinc/72/66/07/633726607.db2.gz ZPYJBPKJLKFLGF-NSHDSACASA-N 0 0 271.316 3.021 20 10 CGCDRN CC/C=C/CCSc1ncc(C(=O)OC)s1 ZINC000829677552 633765282 /nfs/dbraw/zinc/76/52/82/633765282.db2.gz CMDKHLBZYMIKTC-SNAWJCMRSA-N 0 0 257.380 3.378 20 10 CGCDRN O=C(N[C@@H](C1CCCC1)C(F)(F)F)C1=CC(=O)CS1 ZINC000829820674 633798006 /nfs/dbraw/zinc/79/80/06/633798006.db2.gz MRZXBELJCPIMRM-JTQLQIEISA-N 0 0 293.310 3.305 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1CC2(CC2)C1 ZINC000830146556 633832513 /nfs/dbraw/zinc/83/25/13/633832513.db2.gz KIVGXPJXZTWBLD-UHFFFAOYSA-N 0 0 273.376 3.321 20 10 CGCDRN Cc1cncc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000830454942 633863594 /nfs/dbraw/zinc/86/35/94/633863594.db2.gz GAHXCUCOLPEQDV-CYBMUJFWSA-N 0 0 288.372 3.134 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000830527223 633869379 /nfs/dbraw/zinc/86/93/79/633869379.db2.gz XHLDLSJJLCFXPR-FOLVSLTJSA-N 0 0 273.376 3.225 20 10 CGCDRN C[C@H]1Cc2ncn(Cc3ccc(N(C)C)cc3)c2C[C@@H]1C ZINC000830918589 633897964 /nfs/dbraw/zinc/89/79/64/633897964.db2.gz GCMLVKDJKUHDHM-KBPBESRZSA-N 0 0 283.419 3.368 20 10 CGCDRN CCCOc1ccc(C[NH2+]C(C)(C)CC(=O)[O-])cc1C ZINC000871874069 633906181 /nfs/dbraw/zinc/90/61/81/633906181.db2.gz DNVGJETVHZBPTH-UHFFFAOYSA-N 0 0 279.380 3.127 20 10 CGCDRN COc1ccc(N(CCC[C@H](C)O)CC2CC2)cc1 ZINC000831588354 633979778 /nfs/dbraw/zinc/97/97/78/633979778.db2.gz XOEOPSQFQFNGNB-ZDUSSCGKSA-N 0 0 263.381 3.073 20 10 CGCDRN COc1ccc(N(CCOCC(F)F)CC2CC2)cc1 ZINC000831587715 633980103 /nfs/dbraw/zinc/98/01/03/633980103.db2.gz IDVLKUZXPCHRLZ-UHFFFAOYSA-N 0 0 285.334 3.193 20 10 CGCDRN COc1cccc([C@H](C)NCc2ncc(Cl)s2)c1O ZINC000872112096 634037064 /nfs/dbraw/zinc/03/70/64/634037064.db2.gz HKRMTDYSVGSDJK-QMMMGPOBSA-N 0 0 298.795 3.362 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1ccc(OC3COC3)cc1)CC2 ZINC000834773897 634240106 /nfs/dbraw/zinc/24/01/06/634240106.db2.gz KVFAQUFEXREMFJ-INIZCTEOSA-N 0 0 297.354 3.269 20 10 CGCDRN CC[C@H]([NH2+]CC1=CCOCC1)c1cccc(Cl)c1[O-] ZINC000834861160 634259059 /nfs/dbraw/zinc/25/90/59/634259059.db2.gz WLBFGIHLCKGTQQ-AWEZNQCLSA-N 0 0 281.783 3.433 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834890014 634270181 /nfs/dbraw/zinc/27/01/81/634270181.db2.gz BJFWTMHAOFTCKE-MDZLAQPJSA-N 0 0 278.352 3.243 20 10 CGCDRN CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834894587 634271927 /nfs/dbraw/zinc/27/19/27/634271927.db2.gz LLYIEAGRPVGMNN-VHSXEESVSA-N 0 0 295.333 3.299 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834905119 634280975 /nfs/dbraw/zinc/28/09/75/634280975.db2.gz FJONQTUAAJSCLZ-RNSXUZJQSA-N 0 0 290.190 3.263 20 10 CGCDRN CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000834904076 634281413 /nfs/dbraw/zinc/28/14/13/634281413.db2.gz MQMVXYJZJMAMDX-VHSXEESVSA-N 0 0 295.333 3.299 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(F)cc1[O-] ZINC000873291525 634323184 /nfs/dbraw/zinc/32/31/84/634323184.db2.gz WUFIQNXRLZQILJ-OAHLLOKOSA-N 0 0 292.329 3.494 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2ccnn2CC2CC2)cc1 ZINC000835043540 634331325 /nfs/dbraw/zinc/33/13/25/634331325.db2.gz RMYZQZNVXZQLFW-ONEGZZNKSA-N 0 0 296.418 3.484 20 10 CGCDRN CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccccn2)cc1 ZINC000835048528 634334629 /nfs/dbraw/zinc/33/46/29/634334629.db2.gz TZLQYKBDTYZSCN-SREVYHEPSA-N 0 0 281.403 3.293 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2cc3n(n2)CCCC3)cc1 ZINC000835054857 634338821 /nfs/dbraw/zinc/33/88/21/634338821.db2.gz ZXGGQZFGVKEQKM-AATRIKPKSA-N 0 0 296.418 3.411 20 10 CGCDRN Cc1ccc2c(n1)N(C(=O)/C=C/c1cnccc1C)CCC2 ZINC000876488974 634845291 /nfs/dbraw/zinc/84/52/91/634845291.db2.gz PRTOQVJROFBDTP-BQYQJAHWSA-N 0 0 293.370 3.086 20 10 CGCDRN Cc1nc([C@@H]2CCCCN2Cc2c(C)cccc2O)no1 ZINC000876627958 634871125 /nfs/dbraw/zinc/87/11/25/634871125.db2.gz MBSHDCCZHCLPCU-AWEZNQCLSA-N 0 0 287.363 3.119 20 10 CGCDRN C[C@@H]1CCCC[C@]1(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000837251515 634877792 /nfs/dbraw/zinc/87/77/92/634877792.db2.gz AKQGWMTZZUNHEU-JQEMZSCMSA-N 0 0 289.375 3.196 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)C1CCC1 ZINC000837424766 634906498 /nfs/dbraw/zinc/90/64/98/634906498.db2.gz WGEBORLKBPCUNA-ZDUSSCGKSA-N 0 0 274.408 3.113 20 10 CGCDRN COCCOc1cccc(NCc2c(C)cccc2O)c1 ZINC000876822749 634907642 /nfs/dbraw/zinc/90/76/42/634907642.db2.gz JOIDGOUTRCKUMV-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1Cl ZINC000126198808 634910929 /nfs/dbraw/zinc/91/09/29/634910929.db2.gz YHTVHOWMCYWEQK-UHFFFAOYSA-N 0 0 277.707 3.312 20 10 CGCDRN Cc1ccc(CNc2ccc(O[C@H]3CCOC3)cc2)c(O)c1 ZINC000876829531 634910944 /nfs/dbraw/zinc/91/09/44/634910944.db2.gz VOTYPNLXJDNGOS-KRWDZBQOSA-N 0 0 299.370 3.480 20 10 CGCDRN COc1cc(NCc2c(C)cccc2O)cc(OC)c1 ZINC000876834412 634911865 /nfs/dbraw/zinc/91/18/65/634911865.db2.gz PUBRIDRHUOSDAL-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN O=C(Nc1ccc(Cl)cc1)c1cccc(O)c1O ZINC000126222168 634922097 /nfs/dbraw/zinc/92/20/97/634922097.db2.gz QRSRZKFQLGNSSI-UHFFFAOYSA-N 0 0 263.680 3.004 20 10 CGCDRN COc1cccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000876937192 634932507 /nfs/dbraw/zinc/93/25/07/634932507.db2.gz RGUVQDBJJBLHJW-UHFFFAOYSA-N 0 0 293.313 3.011 20 10 CGCDRN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877017996 634951379 /nfs/dbraw/zinc/95/13/79/634951379.db2.gz JOYZDENMUHXPHE-JTQLQIEISA-N 0 0 293.313 3.097 20 10 CGCDRN C[C@@](CO)([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCCCC1 ZINC000877050614 634963862 /nfs/dbraw/zinc/96/38/62/634963862.db2.gz HZFBPMIVZQLUKV-INIZCTEOSA-N 0 0 299.361 3.091 20 10 CGCDRN CN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc(N)cc1 ZINC000877074931 634972913 /nfs/dbraw/zinc/97/29/13/634972913.db2.gz VKEHQTFTLTXHBU-HUUCEWRRSA-N 0 0 272.392 3.448 20 10 CGCDRN CN(C(=O)c1conc1C1CCCC1)c1ccc(N)cc1 ZINC000877075705 634973440 /nfs/dbraw/zinc/97/34/40/634973440.db2.gz FIOIDLQGPAVRNL-UHFFFAOYSA-N 0 0 285.347 3.191 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(Cl)nn1 ZINC000877180326 635008412 /nfs/dbraw/zinc/00/84/12/635008412.db2.gz KZXFZWYJNIYMIZ-UHFFFAOYSA-N 0 0 289.766 3.091 20 10 CGCDRN Cc1ccc(CNc2cccc(CCCO)c2)c(O)c1 ZINC000877191895 635010580 /nfs/dbraw/zinc/01/05/80/635010580.db2.gz BWBXGVWENPWMAH-UHFFFAOYSA-N 0 0 271.360 3.238 20 10 CGCDRN Cc1ccc(CNc2cnn([C@@H](C)C3CC3)c2)c(O)c1 ZINC000877426701 635039485 /nfs/dbraw/zinc/03/94/85/635039485.db2.gz QEFNTWFGHJFNBJ-LBPRGKRZSA-N 0 0 271.364 3.480 20 10 CGCDRN C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486035 635055629 /nfs/dbraw/zinc/05/56/29/635055629.db2.gz CLPNSUHTKFRPHH-IONNQARKSA-N 0 0 295.251 3.443 20 10 CGCDRN CC[C@H](CSC)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531507 635074429 /nfs/dbraw/zinc/07/44/29/635074429.db2.gz OCXQCVORILVNKG-SNVBAGLBSA-N 0 0 275.364 3.244 20 10 CGCDRN Cc1ccc([C@@H](C)NCc2nnc(C3CC3)s2)c(O)c1 ZINC000840891686 635076271 /nfs/dbraw/zinc/07/62/71/635076271.db2.gz SNPVVPQDIAPPHU-SNVBAGLBSA-N 0 0 289.404 3.280 20 10 CGCDRN COCCN(Cc1c(O)cc(C)cc1Cl)CC(F)F ZINC000840915576 635081717 /nfs/dbraw/zinc/08/17/17/635081717.db2.gz JPDAIQPSDOXFEJ-UHFFFAOYSA-N 0 0 293.741 3.068 20 10 CGCDRN CCn1ccnc1[C@H](C)NCc1c(O)cc(C)cc1Cl ZINC000840951422 635091224 /nfs/dbraw/zinc/09/12/24/635091224.db2.gz XYPASFUJHQPSFJ-NSHDSACASA-N 0 0 293.798 3.421 20 10 CGCDRN CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877565655 635094172 /nfs/dbraw/zinc/09/41/72/635094172.db2.gz MGGOFKUFWZGMBH-BXUZGUMPSA-N 0 0 299.361 3.211 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)C(C)C ZINC000840968275 635095663 /nfs/dbraw/zinc/09/56/63/635095663.db2.gz PYTUAFRSHICSHB-JSGCOSHPSA-N 0 0 289.778 3.070 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CC1(F)F ZINC000840968249 635096023 /nfs/dbraw/zinc/09/60/23/635096023.db2.gz PNPJOIRFMOGTJJ-IONNQARKSA-N 0 0 261.699 3.179 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc2c1OCC2 ZINC000877650761 635131247 /nfs/dbraw/zinc/13/12/47/635131247.db2.gz DJHZUHKQUIUHHW-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN Cc1ccc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c(O)c1 ZINC000877651148 635132893 /nfs/dbraw/zinc/13/28/93/635132893.db2.gz WFJDYXOTVMRTOJ-RYUDHWBXSA-N 0 0 269.335 3.424 20 10 CGCDRN Nc1ccc(NC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000841295598 635148318 /nfs/dbraw/zinc/14/83/18/635148318.db2.gz CIPIIXMNCFRDJS-UHFFFAOYSA-N 0 0 293.370 3.348 20 10 CGCDRN CC(C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@H]1C(C)C ZINC000841297872 635148914 /nfs/dbraw/zinc/14/89/14/635148914.db2.gz JLIOPNBMRHPLSK-GJZGRUSLSA-N 0 0 275.396 3.413 20 10 CGCDRN CCN(C(=O)Nc1ccc(N)cc1)[C@@H](C)c1cccnc1 ZINC000841300285 635149866 /nfs/dbraw/zinc/14/98/66/635149866.db2.gz OYBQBDGPCPRYAE-LBPRGKRZSA-N 0 0 284.363 3.279 20 10 CGCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000841298661 635150147 /nfs/dbraw/zinc/15/01/47/635150147.db2.gz CXUQUORTBPMHKV-QWHCGFSZSA-N 0 0 291.395 3.490 20 10 CGCDRN Cc1ccncc1CCC[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703012 635154343 /nfs/dbraw/zinc/15/43/43/635154343.db2.gz OHNMMIUNTTWTNL-UHFFFAOYSA-N 0 0 268.360 3.044 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877805497 635209403 /nfs/dbraw/zinc/20/94/03/635209403.db2.gz KBRDNONUXUYRJV-BPYAMOTFSA-N 0 0 299.773 3.232 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841709808 635216851 /nfs/dbraw/zinc/21/68/51/635216851.db2.gz MGDNOZDDNOCICV-ZBFHGGJFSA-N 0 0 289.423 3.079 20 10 CGCDRN CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747395 635223659 /nfs/dbraw/zinc/22/36/59/635223659.db2.gz ASOJBCWYMCYUQT-CMPLNLGQSA-N 0 0 271.788 3.247 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841752723 635227614 /nfs/dbraw/zinc/22/76/14/635227614.db2.gz GOFOLYLSWSNWFW-GHMZBOCLSA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757143 635231190 /nfs/dbraw/zinc/23/11/90/635231190.db2.gz MLXGFDWDPGHTIC-QWRGUYRKSA-N 0 0 271.788 3.105 20 10 CGCDRN Cc1ccc2c(c1)N[C@H](c1cccc(Cl)c1O)NC2=O ZINC000877864928 635246181 /nfs/dbraw/zinc/24/61/81/635246181.db2.gz SDJGKCQZUDDTOP-AWEZNQCLSA-N 0 0 288.734 3.208 20 10 CGCDRN CCN(Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841961786 635252532 /nfs/dbraw/zinc/25/25/32/635252532.db2.gz IHESGNDFOFNHFR-UHFFFAOYSA-N 0 0 297.402 3.043 20 10 CGCDRN CC[C@H](CN(C)c1ccc(OC)c(Cl)c1)OC ZINC000842152917 635297507 /nfs/dbraw/zinc/29/75/07/635297507.db2.gz MLKUYOGNIFFJER-LLVKDONJSA-N 0 0 257.761 3.210 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1OC ZINC000877996930 635313524 /nfs/dbraw/zinc/31/35/24/635313524.db2.gz YDZLRBNINMMUCA-VHDGCEQUSA-N 0 0 291.391 3.098 20 10 CGCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842778561 635469760 /nfs/dbraw/zinc/46/97/60/635469760.db2.gz GYYVCTHWJNRVAX-GMSGAONNSA-N 0 0 275.776 3.168 20 10 CGCDRN C/C=C(\C)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842879243 635504628 /nfs/dbraw/zinc/50/46/28/635504628.db2.gz PIOUKJPMQDQANO-HIICFIELSA-N 0 0 289.375 3.031 20 10 CGCDRN Cc1cccc(CN2CCNc3ccccc32)c1O ZINC000843124947 635560875 /nfs/dbraw/zinc/56/08/75/635560875.db2.gz QTLMPVLXWADEKU-UHFFFAOYSA-N 0 0 254.333 3.133 20 10 CGCDRN Nc1ccc(Cc2noc(-c3csc(C4CC4)n3)n2)cc1 ZINC000843159465 635588788 /nfs/dbraw/zinc/58/87/88/635588788.db2.gz QAUKGBDPNZMZAY-UHFFFAOYSA-N 0 0 298.371 3.244 20 10 CGCDRN Nc1cccc(COc2ccc(N3CCCC3)cc2)c1 ZINC000843316458 635645005 /nfs/dbraw/zinc/64/50/05/635645005.db2.gz RQZZJXDAEXKDEC-UHFFFAOYSA-N 0 0 268.360 3.448 20 10 CGCDRN CCCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843425937 635669591 /nfs/dbraw/zinc/66/95/91/635669591.db2.gz KPJCVEDVQCQYJX-AWEZNQCLSA-N 0 0 289.778 3.216 20 10 CGCDRN CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843427336 635671024 /nfs/dbraw/zinc/67/10/24/635671024.db2.gz LQNUNVDOIGNTKY-GXSJLCMTSA-N 0 0 289.778 3.071 20 10 CGCDRN Cc1cc(N(C)C)cc(C)c1NC(=O)Cc1ccc(N)cc1 ZINC000843493688 635681307 /nfs/dbraw/zinc/68/13/07/635681307.db2.gz MROBTFFVQDUIJR-UHFFFAOYSA-N 0 0 297.402 3.133 20 10 CGCDRN CCc1cccc(/C=C2\SC(=S)N(CC)C2=O)c1 ZINC000844275657 635853286 /nfs/dbraw/zinc/85/32/86/635853286.db2.gz ZABKPUATYDKSGG-XFXZXTDPSA-N 0 0 277.414 3.470 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1snnc1C ZINC000844314623 635867167 /nfs/dbraw/zinc/86/71/67/635867167.db2.gz FKLXMPDJCNHHGO-UHFFFAOYSA-N 0 0 289.404 3.198 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(Cl)s2)cc1 ZINC000844352654 635877180 /nfs/dbraw/zinc/87/71/80/635877180.db2.gz AQGSMIQFZISDIN-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN COc1ccc(N(C)CCCOCC(F)(F)F)cc1 ZINC000844353295 635877545 /nfs/dbraw/zinc/87/75/45/635877545.db2.gz LNZQQSZSEDLAEY-UHFFFAOYSA-N 0 0 277.286 3.100 20 10 CGCDRN COc1ccc(N(C)CCN(C)C(=O)CCC(C)C)cc1 ZINC000844852251 635975360 /nfs/dbraw/zinc/97/53/60/635975360.db2.gz GRCDNVDFEVETRL-UHFFFAOYSA-N 0 0 292.423 3.026 20 10 CGCDRN CCCc1ccc(C(=O)NCc2cccc(OC)c2O)cc1 ZINC000105649546 635976700 /nfs/dbraw/zinc/97/67/00/635976700.db2.gz FEUVRILUQSAQFX-UHFFFAOYSA-N 0 0 299.370 3.283 20 10 CGCDRN COc1cccc(CNC(=O)C[C@H]2CCC[C@@H](C)C2)c1O ZINC000105650539 635976793 /nfs/dbraw/zinc/97/67/93/635976793.db2.gz RXFFQQQIOXHDEU-OLZOCXBDSA-N 0 0 291.391 3.233 20 10 CGCDRN CCCC(C)(C)c1nc(Cc2ccc(N)cc2)no1 ZINC000844906885 635981086 /nfs/dbraw/zinc/98/10/86/635981086.db2.gz UULWDMDVYCUUTE-UHFFFAOYSA-N 0 0 259.353 3.320 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC000845832681 636104537 /nfs/dbraw/zinc/10/45/37/636104537.db2.gz FVHHCADXZUKKKP-NZVBXONLSA-N 0 0 289.375 3.014 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)c1ccccc1O ZINC000881440890 636109659 /nfs/dbraw/zinc/10/96/59/636109659.db2.gz PTMRYJUDQUIVKP-OLZOCXBDSA-N 0 0 291.391 3.165 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)OC1CCCC1 ZINC000845996387 636127515 /nfs/dbraw/zinc/12/75/15/636127515.db2.gz PEXXSFHXKGOVOI-UHFFFAOYSA-N 0 0 269.728 3.214 20 10 CGCDRN CC(C)C[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473664 636187337 /nfs/dbraw/zinc/18/73/37/636187337.db2.gz NUSMQMNVJJFLKO-JTQLQIEISA-N 0 0 269.772 3.344 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C1(C(F)(F)F)CC1 ZINC000846472872 636187426 /nfs/dbraw/zinc/18/74/26/636187426.db2.gz NIDSJNPSTNKMRE-UHFFFAOYSA-N 0 0 293.672 3.004 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474671 636188203 /nfs/dbraw/zinc/18/82/03/636188203.db2.gz ZBAAODPTEPYGIS-UWVGGRQHSA-N 0 0 267.756 3.098 20 10 CGCDRN C[C@H]1CC/C(=C\C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476698 636188721 /nfs/dbraw/zinc/18/87/21/636188721.db2.gz OPZHZNLGBRMTET-VUBLIPMDSA-N 0 0 279.767 3.408 20 10 CGCDRN CSCC1(CC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846477581 636188841 /nfs/dbraw/zinc/18/88/41/636188841.db2.gz SPQQUNGKJPHTNH-UHFFFAOYSA-N 0 0 299.823 3.195 20 10 CGCDRN CC(C)[C@@H](O)CCSc1ncc(Cl)s1 ZINC000882239138 636295322 /nfs/dbraw/zinc/29/53/22/636295322.db2.gz QYGYVWXRETXKTB-ZETCQYMHSA-N 0 0 251.804 3.296 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccn(C)n2)cc1 ZINC000025169474 636313688 /nfs/dbraw/zinc/31/36/88/636313688.db2.gz OSBNKSFYDZJFRX-UHFFFAOYSA-N 0 0 294.358 3.080 20 10 CGCDRN COc1cccc(CNC(=O)c2cccc(C3CC3)c2)c1O ZINC000847590163 636401066 /nfs/dbraw/zinc/40/10/66/636401066.db2.gz SYCJVRFFRWFYEZ-UHFFFAOYSA-N 0 0 297.354 3.208 20 10 CGCDRN CC(C)c1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])on1 ZINC000883000529 636501372 /nfs/dbraw/zinc/50/13/72/636501372.db2.gz DWRVGNGXEMBWPJ-UHFFFAOYSA-N 0 0 282.290 3.072 20 10 CGCDRN COCCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC1 ZINC000883042662 636518351 /nfs/dbraw/zinc/51/83/51/636518351.db2.gz GTRZSVULCZMLLD-UHFFFAOYSA-N 0 0 299.361 3.357 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)C(C)C ZINC000848100362 636528798 /nfs/dbraw/zinc/52/87/98/636528798.db2.gz NJIHGWOCCRDRNZ-UPZNUWHASA-N 0 0 277.364 3.004 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000883087808 636537461 /nfs/dbraw/zinc/53/74/61/636537461.db2.gz JNIZFSRYRNXPSN-ZDUSSCGKSA-N 0 0 285.334 3.109 20 10 CGCDRN C[C@H](C1CC1)n1cc(NCc2cc(F)cc(F)c2O)cn1 ZINC000883092389 636538065 /nfs/dbraw/zinc/53/80/65/636538065.db2.gz NPUHPCXCEDVODV-SECBINFHSA-N 0 0 293.317 3.450 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cc(F)cc(F)c1[O-] ZINC000883247061 636616248 /nfs/dbraw/zinc/61/62/48/636616248.db2.gz YIVUCCHLFOEOCQ-VHSXEESVSA-N 0 0 253.292 3.287 20 10 CGCDRN Cc1cc(Cl)cc(CN2CC3(CC3(F)F)C2)c1O ZINC000848922294 636691100 /nfs/dbraw/zinc/69/11/00/636691100.db2.gz QCOGRXRHYPVOKQ-UHFFFAOYSA-N 0 0 273.710 3.195 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCN1CC)c1cccc(Cl)c1[O-] ZINC000883354927 636695911 /nfs/dbraw/zinc/69/59/11/636695911.db2.gz FINBYAMMHLAHRM-SMDDNHRTSA-N 0 0 282.815 3.181 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCN1CC)c1cccc(Cl)c1[O-] ZINC000883354925 636696383 /nfs/dbraw/zinc/69/63/83/636696383.db2.gz FINBYAMMHLAHRM-FZMZJTMJSA-N 0 0 282.815 3.181 20 10 CGCDRN CCCOc1ccc(C=C2SC(=S)NC2=O)c(C)c1 ZINC000849178132 636766180 /nfs/dbraw/zinc/76/61/80/636766180.db2.gz VKHYXSCOMBAWOL-WQLSENKSSA-N 0 0 293.413 3.273 20 10 CGCDRN CCN1C(=O)/C(=C\c2cc(COC)cs2)SC1=S ZINC000849175700 636766201 /nfs/dbraw/zinc/76/62/01/636766201.db2.gz PUHAVWMZKHNWNE-BJMVGYQFSA-N 0 0 299.442 3.116 20 10 CGCDRN Nc1ccc(CNC(=O)CC[C@@H]2CCc3ccccc32)cc1 ZINC000883508929 636775731 /nfs/dbraw/zinc/77/57/31/636775731.db2.gz KHTATSWPGFHKAP-INIZCTEOSA-N 0 0 294.398 3.395 20 10 CGCDRN COc1cc(CNc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000849345959 636816659 /nfs/dbraw/zinc/81/66/59/636816659.db2.gz WDSZEACEBFHANR-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CC[C@@H](C)C2)c1 ZINC000133082229 636873065 /nfs/dbraw/zinc/87/30/65/636873065.db2.gz GUWOCCLHBZHKJU-AGIUHOORSA-N 0 0 291.391 3.404 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNCc1nccn1C(C)C ZINC000850137823 636966267 /nfs/dbraw/zinc/96/62/67/636966267.db2.gz TUGOLPXZXTXQRD-UHFFFAOYSA-N 0 0 286.423 3.128 20 10 CGCDRN O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1O ZINC000133935656 636988819 /nfs/dbraw/zinc/98/88/19/636988819.db2.gz XEWLAZWLIJZHBM-JXMROGBWSA-N 0 0 287.746 3.375 20 10 CGCDRN C[C@H]([NH2+]C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000134901537 637049996 /nfs/dbraw/zinc/04/99/96/637049996.db2.gz FKNUALOJVUFRFG-LURJTMIESA-N 0 0 274.133 3.107 20 10 CGCDRN CC[C@H]([NH2+]C/C=C/CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000850508332 637094909 /nfs/dbraw/zinc/09/49/09/637094909.db2.gz LPBXVHDAEJWVJW-PCAWENJQSA-N 0 0 290.190 3.288 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1C2CC3CC(C2)CC1C3 ZINC000136949574 637410796 /nfs/dbraw/zinc/41/07/96/637410796.db2.gz MSIBNDUIDXXZFN-UHFFFAOYSA-N 0 0 299.414 3.423 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@H]2C[C@]23CCOC3)cc1 ZINC000886231344 637465850 /nfs/dbraw/zinc/46/58/50/637465850.db2.gz BVGRMHGKNNGJCJ-QAPCUYQASA-N 0 0 287.403 3.338 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1c([O-])cccc1F ZINC000886489142 637539008 /nfs/dbraw/zinc/53/90/08/637539008.db2.gz AWLRNROHOVEQJX-AAEUAGOBSA-N 0 0 292.354 3.078 20 10 CGCDRN C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1c([O-])cccc1F ZINC000886493396 637541659 /nfs/dbraw/zinc/54/16/59/637541659.db2.gz JIEXEHKKUUCULM-LBPRGKRZSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1c([O-])cccc1F ZINC000886508580 637544436 /nfs/dbraw/zinc/54/44/36/637544436.db2.gz FNZVIUSJRUPNHP-MEBBXXQBSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+]CCOC1CCCC1)c1c([O-])cccc1F ZINC000886516309 637549626 /nfs/dbraw/zinc/54/96/26/637549626.db2.gz BWWSKUGBLNWVTM-LLVKDONJSA-N 0 0 267.344 3.141 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1c([O-])cccc1F ZINC000886522738 637551058 /nfs/dbraw/zinc/55/10/58/637551058.db2.gz PZXWGYKLXMXBRG-XHDPSFHLSA-N 0 0 281.371 3.123 20 10 CGCDRN CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886532668 637558143 /nfs/dbraw/zinc/55/81/43/637558143.db2.gz MPYBLEICHYNUSJ-OUAUKWLOSA-N 0 0 269.385 3.466 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1c([O-])cccc1F ZINC000886536412 637561695 /nfs/dbraw/zinc/56/16/95/637561695.db2.gz HBJWSDVPLVJELG-NWDGAFQWSA-N 0 0 274.339 3.208 20 10 CGCDRN Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886551076 637575601 /nfs/dbraw/zinc/57/56/01/637575601.db2.gz AWDWRDFWLOBTRH-WBMJQRKESA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1cnccc1CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886556659 637580061 /nfs/dbraw/zinc/58/00/61/637580061.db2.gz HHPGGFNQVGPHIZ-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN C[C@H](CCO)C1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886562085 637583156 /nfs/dbraw/zinc/58/31/56/637583156.db2.gz QHHJCERBSMTTNI-OLZOCXBDSA-N 0 0 295.398 3.371 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000110393420 637586744 /nfs/dbraw/zinc/58/67/44/637586744.db2.gz UQZDILVPSKAPAB-VQHVLOKHSA-N 0 0 278.355 3.383 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1c([O-])cccc1F ZINC000886610480 637603437 /nfs/dbraw/zinc/60/34/37/637603437.db2.gz BYTQTGALUNTKGC-NEPJUHHUSA-N 0 0 287.334 3.358 20 10 CGCDRN COCC1CCC([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886627015 637615778 /nfs/dbraw/zinc/61/57/78/637615778.db2.gz QVPXKMXUVZZGGL-PNESKVBLSA-N 0 0 281.371 3.387 20 10 CGCDRN CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886625620 637616581 /nfs/dbraw/zinc/61/65/81/637616581.db2.gz WAUAGUGRDJCGSQ-MMPTUQATSA-N 0 0 281.371 3.386 20 10 CGCDRN Cc1cc(C[N@H+]2CC3(CCC3)OC[C@H]2C)ccc1N(C)C ZINC000852442507 637652946 /nfs/dbraw/zinc/65/29/46/637652946.db2.gz FGQVQOJWQQFRLQ-OAHLLOKOSA-N 0 0 288.435 3.204 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1c([O-])cccc1F ZINC000886720318 637673238 /nfs/dbraw/zinc/67/32/38/637673238.db2.gz ZTABLBBFFNXIFA-RYUDHWBXSA-N 0 0 281.371 3.387 20 10 CGCDRN Nc1ccc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC000852790013 637713969 /nfs/dbraw/zinc/71/39/69/637713969.db2.gz JCOUYFDONYUGLY-FICVDOATSA-N 0 0 258.365 3.424 20 10 CGCDRN Nc1ccc(CCNC(=O)C2[C@H]3CCCCCC[C@H]23)cc1 ZINC000852796602 637714859 /nfs/dbraw/zinc/71/48/59/637714859.db2.gz GPBAKPAEWZELOX-HOTGVXAUSA-N 0 0 286.419 3.144 20 10 CGCDRN Cc1nocc1COc1ccc(N2CCCC2)cc1 ZINC000853675064 637889793 /nfs/dbraw/zinc/88/97/93/637889793.db2.gz MHSMGQPBLLGFPF-UHFFFAOYSA-N 0 0 258.321 3.162 20 10 CGCDRN Cc1cccc(C)c1CN(C)C(=O)C1=CC(=O)CS1 ZINC000887957822 637931647 /nfs/dbraw/zinc/93/16/47/637931647.db2.gz PDEBJKVUATZIFH-UHFFFAOYSA-N 0 0 275.373 3.343 20 10 CGCDRN CCC(F)(F)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000854948006 638126259 /nfs/dbraw/zinc/12/62/59/638126259.db2.gz JGNMRXJSNFQFHB-GFCCVEGCSA-N 0 0 298.377 3.154 20 10 CGCDRN Cc1cc(CC(=O)N[C@H]2C=CCC2)c(C)n1-c1ccccc1 ZINC000855433805 638195969 /nfs/dbraw/zinc/19/59/69/638195969.db2.gz GJYCYMZCKOCDOK-KRWDZBQOSA-N 0 0 294.398 3.471 20 10 CGCDRN C[C@@H]1N(C(=O)c2cccc(O)c2O)c2ccccc2C1(C)C ZINC000855907097 638275898 /nfs/dbraw/zinc/27/58/98/638275898.db2.gz FWHFLLYOKUWLKP-NSHDSACASA-N 0 0 297.354 3.424 20 10 CGCDRN CCC(CC)CCCN(C)C(=O)c1cccc(O)c1O ZINC000856169756 638311708 /nfs/dbraw/zinc/31/17/08/638311708.db2.gz SWLXDVXQWNMRKZ-UHFFFAOYSA-N 0 0 279.380 3.386 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C(C)C)cc2)c1 ZINC000114541752 638375533 /nfs/dbraw/zinc/37/55/33/638375533.db2.gz LUJGROUKICSTFR-UHFFFAOYSA-N 0 0 299.370 3.454 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1F ZINC000115279688 638513381 /nfs/dbraw/zinc/51/33/81/638513381.db2.gz HVBNBOYKQRAKON-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccccc1 ZINC000115280439 638514992 /nfs/dbraw/zinc/51/49/92/638514992.db2.gz SHYPUBHQKXKERU-UHFFFAOYSA-N 0 0 296.414 3.310 20 10 CGCDRN CC/C=C(/C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280639 638515318 /nfs/dbraw/zinc/51/53/18/638515318.db2.gz VBWVTIHCGPEGHC-GHXNOFRVSA-N 0 0 260.381 3.034 20 10 CGCDRN Cc1nsc(C)c1C(=O)NCc1cc(Cl)ccc1O ZINC000857548816 638516083 /nfs/dbraw/zinc/51/60/83/638516083.db2.gz VPINCUBTCBIVJE-UHFFFAOYSA-N 0 0 296.779 3.049 20 10 CGCDRN O=C(Cc1ccccc1F)NCc1cc(Cl)ccc1O ZINC000857547312 638516969 /nfs/dbraw/zinc/51/69/69/638516969.db2.gz YMLSWMKTVIHBAD-UHFFFAOYSA-N 0 0 293.725 3.044 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccccc2C)c1 ZINC000858099016 638627183 /nfs/dbraw/zinc/62/71/83/638627183.db2.gz SQUPEXRWKQMTAV-UHFFFAOYSA-N 0 0 298.386 3.051 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000858158652 638647434 /nfs/dbraw/zinc/64/74/34/638647434.db2.gz HHYAKEZPJZASRP-HZPDHXFCSA-N 0 0 296.370 3.056 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)C2CCCCC2)c1 ZINC000858245645 638662856 /nfs/dbraw/zinc/66/28/56/638662856.db2.gz LAOCCXAWZSNOSA-CYBMUJFWSA-N 0 0 290.407 3.469 20 10 CGCDRN CCC(F)(F)CNCc1cc(F)c(N(C)C)cc1F ZINC000858259365 638667022 /nfs/dbraw/zinc/66/70/22/638667022.db2.gz YYOSXDVDWLHNDX-UHFFFAOYSA-N 0 0 278.293 3.166 20 10 CGCDRN Cc1cc(CNCc2ncc[nH]2)c(C)n1-c1cccc(C)c1 ZINC000858293057 638674648 /nfs/dbraw/zinc/67/46/48/638674648.db2.gz IYQZDXNVSYALQE-UHFFFAOYSA-N 0 0 294.402 3.415 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cnn(CCF)c2)c(O)c1C ZINC000858491389 638741107 /nfs/dbraw/zinc/74/11/07/638741107.db2.gz GPWLERMQHYCJAE-LBPRGKRZSA-N 0 0 277.343 3.348 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858543528 638758433 /nfs/dbraw/zinc/75/84/33/638758433.db2.gz KUFYQZZLGZPNCA-HLTSFMKQSA-N 0 0 290.190 3.121 20 10 CGCDRN CCC[C@H](O)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000927013896 638831506 /nfs/dbraw/zinc/83/15/06/638831506.db2.gz AKTXGKHOACLJFA-JSGCOSHPSA-N 0 0 269.360 3.123 20 10 CGCDRN CCC[C@@H](O)CC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000927013901 638831568 /nfs/dbraw/zinc/83/15/68/638831568.db2.gz AKTXGKHOACLJFA-TZMCWYRMSA-N 0 0 269.360 3.123 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000927070794 638837813 /nfs/dbraw/zinc/83/78/13/638837813.db2.gz VEAQKVSKODNADF-XTQGRXLLSA-N 0 0 293.382 3.387 20 10 CGCDRN CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cnn(C)c1 ZINC000927071409 638838473 /nfs/dbraw/zinc/83/84/73/638838473.db2.gz SIWDGWUHOJZEPT-MEDUHNTESA-N 0 0 291.370 3.313 20 10 CGCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1cc(C)ccc1C ZINC000930318374 638990561 /nfs/dbraw/zinc/99/05/61/638990561.db2.gz QDTLRHAJIQDUBQ-HJWRWDBZSA-N 0 0 283.375 3.103 20 10 CGCDRN CCOc1ccc(N(Cc2nncs2)CC2CC2)cc1 ZINC000931379139 639144361 /nfs/dbraw/zinc/14/43/61/639144361.db2.gz IJIWUKMWOWKCED-UHFFFAOYSA-N 0 0 289.404 3.353 20 10 CGCDRN C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000859698395 639193682 /nfs/dbraw/zinc/19/36/82/639193682.db2.gz VXIXTRKKGHEMLS-YWVDXFKGSA-N 0 0 273.380 3.479 20 10 CGCDRN C[C@]1(C(=O)NCCCSc2nccs2)C=CCC1 ZINC000932683459 639373804 /nfs/dbraw/zinc/37/38/04/639373804.db2.gz OVUIECRGIPSZLH-ZDUSSCGKSA-N 0 0 282.434 3.098 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C)nc2C)c1 ZINC000860756663 639421553 /nfs/dbraw/zinc/42/15/53/639421553.db2.gz WCESYRIOAKXCRS-UHFFFAOYSA-N 0 0 285.347 3.034 20 10 CGCDRN O=C(CCC1CCC1)NCc1ccc2cccnc2c1O ZINC000862026962 639634915 /nfs/dbraw/zinc/63/49/15/639634915.db2.gz FJTIXEUOKFYLKP-UHFFFAOYSA-N 0 0 284.359 3.137 20 10 CGCDRN CC(C)(C)CCC(=O)NCc1ccc2cccnc2c1O ZINC000862027911 639636558 /nfs/dbraw/zinc/63/65/58/639636558.db2.gz JMHCQUIKJSDGOX-UHFFFAOYSA-N 0 0 286.375 3.383 20 10 CGCDRN CC(C)c1ccc(N(C)C(=O)/C=C\c2cn(C)cn2)cc1 ZINC000934839324 639687938 /nfs/dbraw/zinc/68/79/38/639687938.db2.gz VATCWSSYLFIIEJ-YFHOEESVSA-N 0 0 283.375 3.220 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1F ZINC000047334147 640010280 /nfs/dbraw/zinc/01/02/80/640010280.db2.gz HGOFMVLBDFVKNW-UHFFFAOYSA-N 0 0 292.285 3.334 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(F)c1[O-])c1cccc(O)c1 ZINC000158715844 640016042 /nfs/dbraw/zinc/01/60/42/640016042.db2.gz UPMRGDXNWMGUDQ-JTQLQIEISA-N 0 0 261.296 3.088 20 10 CGCDRN COc1cccc(CN2CCCOc3ccccc32)c1O ZINC000158879766 640022389 /nfs/dbraw/zinc/02/23/89/640022389.db2.gz RFPYPFKCZWHAKT-UHFFFAOYSA-N 0 0 285.343 3.190 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2s1 ZINC000159092571 640028701 /nfs/dbraw/zinc/02/87/01/640028701.db2.gz YBMLPYNIYGZMTD-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(F)cc1[O-] ZINC000187868078 640102061 /nfs/dbraw/zinc/10/20/61/640102061.db2.gz NVKPHNQTXYUWQK-PWSUYJOCSA-N 0 0 267.344 3.140 20 10 CGCDRN CCCNc1ccccc1NC(=O)c1cccc(O)c1O ZINC000190132526 640230752 /nfs/dbraw/zinc/23/07/52/640230752.db2.gz JHTLQAWQGJDBLI-UHFFFAOYSA-N 0 0 286.331 3.172 20 10 CGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1O ZINC000192743519 640400713 /nfs/dbraw/zinc/40/07/13/640400713.db2.gz QIPZIRGZJNMVGM-MNOVXSKESA-N 0 0 298.342 3.285 20 10 CGCDRN COc1c(C)cc(/C=C2/SC(=S)N(C)C2=O)cc1C ZINC000194754036 640550903 /nfs/dbraw/zinc/55/09/03/640550903.db2.gz ZVJAEEKDPKTYRW-YRNVUSSQSA-N 0 0 293.413 3.143 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cc(F)ccc1O ZINC000248520002 640765337 /nfs/dbraw/zinc/76/53/37/640765337.db2.gz QUDLXQFQUALZIL-XZJROXQQSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)c(O)c1 ZINC000248520911 640765498 /nfs/dbraw/zinc/76/54/98/640765498.db2.gz RGKBPTWPRNGHBM-MPGHIAIKSA-N 0 0 299.414 3.343 20 10 CGCDRN CC(C)CCO[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272269112 640987969 /nfs/dbraw/zinc/98/79/69/640987969.db2.gz LALJYVORTOHMDY-CQSZACIVSA-N 0 0 281.371 3.168 20 10 CGCDRN Oc1cc2c(cc1O)CN(c1ccc3occc3n1)CCC2 ZINC001155941161 805627006 /nfs/dbraw/zinc/62/70/06/805627006.db2.gz IIDWKJFPMVIMFQ-UHFFFAOYSA-N 0 0 296.326 3.192 20 10 CGCDRN Oc1cc2c(cc1O)CN(c1cccc(Cl)n1)CCC2 ZINC001155933044 805627029 /nfs/dbraw/zinc/62/70/29/805627029.db2.gz IGVGTLOOUFGGBB-UHFFFAOYSA-N 0 0 290.750 3.099 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccc(Cl)cn2)cc1 ZINC001156923432 805752881 /nfs/dbraw/zinc/75/28/81/805752881.db2.gz BZWGKQUFTBJZAW-UHFFFAOYSA-N 0 0 275.783 3.437 20 10 CGCDRN COc1cnc(N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC001156924014 805753418 /nfs/dbraw/zinc/75/34/18/805753418.db2.gz KYKVVWSKCFLWEC-UHFFFAOYSA-N 0 0 285.391 3.101 20 10 CGCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)[C@H]1CC1(C)C ZINC001252027678 805976850 /nfs/dbraw/zinc/97/68/50/805976850.db2.gz HZTATMYMMGTLRX-KGLIPLIRSA-N 0 0 290.407 3.325 20 10 CGCDRN Cc1ccccc1/N=N/c1ccc(NC[C@H](O)CO)c(C)c1 ZINC001252066415 805981392 /nfs/dbraw/zinc/98/13/92/805981392.db2.gz ABLTWLIAQJWUQA-CVTQAYBASA-N 0 0 299.374 3.484 20 10 CGCDRN Cc1nc2ccc(F)cc2c(NCc2ccc(O)c(O)c2)n1 ZINC001158994866 806029095 /nfs/dbraw/zinc/02/90/95/806029095.db2.gz ZQSYJISSLQAJFV-UHFFFAOYSA-N 0 0 299.305 3.101 20 10 CGCDRN COC(=O)[C@H](O)CNc1ccc(/N=N/c2ccccc2)cc1 ZINC001252426137 806047188 /nfs/dbraw/zinc/04/71/88/806047188.db2.gz BKKSKIHURWHBBG-AMGRQBIBSA-N 0 0 299.330 3.048 20 10 CGCDRN Cc1ccc(-c2nnc(Cc3ccc(O)c(O)c3)o2)cc1 ZINC001252635183 806095234 /nfs/dbraw/zinc/09/52/34/806095234.db2.gz HZWUKIABEFGPBI-UHFFFAOYSA-N 0 0 282.299 3.047 20 10 CGCDRN Oc1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1O ZINC001252709934 806105823 /nfs/dbraw/zinc/10/58/23/806105823.db2.gz WPKWVAFMSOWJQG-UHFFFAOYSA-N 0 0 288.690 3.468 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC001159918732 806198315 /nfs/dbraw/zinc/19/83/15/806198315.db2.gz OQHLDMPJLNMFOB-WDEREUQCSA-N 0 0 267.394 3.400 20 10 CGCDRN CCOc1ccnc(NCc2cc3ccccc3cc2O)n1 ZINC001160207545 806235470 /nfs/dbraw/zinc/23/54/70/806235470.db2.gz UETGARKCWSHIBQ-UHFFFAOYSA-N 0 0 295.342 3.346 20 10 CGCDRN O=[N+]([O-])c1cccc(NCc2cc3ccccc3cc2O)n1 ZINC001160205867 806234886 /nfs/dbraw/zinc/23/48/86/806234886.db2.gz IHQOSLOUXMKQFA-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN CCOc1nccnc1NCc1cc2ccccc2cc1O ZINC001160207319 806235179 /nfs/dbraw/zinc/23/51/79/806235179.db2.gz XKGZPVIESRQYOP-UHFFFAOYSA-N 0 0 295.342 3.346 20 10 CGCDRN Cc1cc(C)c(CNc2cc(Cl)ncn2)c(O)c1 ZINC001160808058 806304893 /nfs/dbraw/zinc/30/48/93/806304893.db2.gz HOYFTLRBFBBWER-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN Oc1ccc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)cc1O ZINC001254511652 806429640 /nfs/dbraw/zinc/42/96/40/806429640.db2.gz DISCMQKYOYFTHN-CHWSQXEVSA-N 0 0 294.310 3.419 20 10 CGCDRN CCc1occc1C(=O)NCc1ccc2cccnc2c1O ZINC001162612726 806629136 /nfs/dbraw/zinc/62/91/36/806629136.db2.gz OVJNDUUXJUDJBX-UHFFFAOYSA-N 0 0 296.326 3.026 20 10 CGCDRN Nc1ccc(CNc2nc3ccccc3nc2Cl)cc1 ZINC001162784041 806664422 /nfs/dbraw/zinc/66/44/22/806664422.db2.gz FCMSLDAQGZDCBJ-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN Nc1ccc(CNc2ccnc(-c3ccccc3)n2)cc1 ZINC001162784842 806664445 /nfs/dbraw/zinc/66/44/45/806664445.db2.gz YTZNQJMNEXRRSL-UHFFFAOYSA-N 0 0 276.343 3.338 20 10 CGCDRN Cc1cc(NCc2ccc(N)cc2)nc(-c2cccs2)n1 ZINC001162787908 806665505 /nfs/dbraw/zinc/66/55/05/806665505.db2.gz UIUYAPULIAATNP-UHFFFAOYSA-N 0 0 296.399 3.130 20 10 CGCDRN Nc1ccc(CNc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC001162788111 806666176 /nfs/dbraw/zinc/66/61/76/806666176.db2.gz ZCWFVUJBHHFPIZ-UHFFFAOYSA-N 0 0 294.314 3.337 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(OC)nc2)cc1 ZINC000085822256 798943929 /nfs/dbraw/zinc/94/39/29/798943929.db2.gz SZMCWBIJZSEZLT-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN C[C@H]([NH2+]CCF)c1cc(Br)cc(Cl)c1[O-] ZINC000380187812 799358309 /nfs/dbraw/zinc/35/83/09/799358309.db2.gz HBTXTJLNTILDBE-LURJTMIESA-N 0 0 296.567 3.428 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000381145449 799373297 /nfs/dbraw/zinc/37/32/97/799373297.db2.gz RGHKGGQAJJPROF-NHYWBVRUSA-N 0 0 277.339 3.108 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@H](C)F)c1 ZINC000382279801 799394997 /nfs/dbraw/zinc/39/49/97/799394997.db2.gz IRQDSWIVCJZZHO-VIFPVBQESA-N 0 0 290.176 3.301 20 10 CGCDRN COc1cc(NC(=O)c2cccc(O)c2O)ccc1Cl ZINC000382854925 799398748 /nfs/dbraw/zinc/39/87/48/799398748.db2.gz QJAANKNNSJZFQK-UHFFFAOYSA-N 0 0 293.706 3.012 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000384163010 799413099 /nfs/dbraw/zinc/41/30/99/799413099.db2.gz RZRTVYBYRAEDQU-JTQLQIEISA-N 0 0 271.813 3.278 20 10 CGCDRN CC[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccccc1O ZINC000386192407 799433102 /nfs/dbraw/zinc/43/31/02/799433102.db2.gz IMENSEOMIGNOIQ-CYBMUJFWSA-N 0 0 298.342 3.286 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000387176722 799444295 /nfs/dbraw/zinc/44/42/95/799444295.db2.gz UOCMVESSEHQGCY-CYBMUJFWSA-N 0 0 259.353 3.113 20 10 CGCDRN COC(=O)Cc1ccccc1CN(C)c1ccc(OC)cc1 ZINC000387696099 799448280 /nfs/dbraw/zinc/44/82/80/799448280.db2.gz HDKPTOZAYRXEBB-UHFFFAOYSA-N 0 0 299.370 3.047 20 10 CGCDRN Oc1ccc(Cl)cc1CN[C@H]1CCCC1(F)F ZINC000398147053 799526783 /nfs/dbraw/zinc/52/67/83/799526783.db2.gz OGFXGGFYKOBKLA-NSHDSACASA-N 0 0 261.699 3.323 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CO1 ZINC000688501664 799748487 /nfs/dbraw/zinc/74/84/87/799748487.db2.gz MIYDYKBJHIHDNY-GHMZBOCLSA-N 0 0 290.190 3.356 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000690398469 799776140 /nfs/dbraw/zinc/77/61/40/799776140.db2.gz VGUZIZRGLKKZMW-DGCLKSJQSA-N 0 0 280.387 3.055 20 10 CGCDRN Oc1cc(Br)ccc1CN1CCC[C@@H](F)C1 ZINC000691679554 799786430 /nfs/dbraw/zinc/78/64/30/799786430.db2.gz JZWBODNIRDUIES-LLVKDONJSA-N 0 0 288.160 3.089 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694269374 799820935 /nfs/dbraw/zinc/82/09/35/799820935.db2.gz ZSWASQAVEBKUPB-SUZMYJTESA-N 0 0 296.208 3.433 20 10 CGCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)C(C)(F)F ZINC000697040317 799842377 /nfs/dbraw/zinc/84/23/77/799842377.db2.gz IDPGSWOQRCYOOX-UHFFFAOYSA-N 0 0 271.311 3.072 20 10 CGCDRN CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703259363 799921266 /nfs/dbraw/zinc/92/12/66/799921266.db2.gz XBWGQIFCCRUBKG-NXEZZACHSA-N 0 0 273.348 3.044 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000704791465 799941191 /nfs/dbraw/zinc/94/11/91/799941191.db2.gz UVIIJNBVRCLKBX-GHMZBOCLSA-N 0 0 269.385 3.325 20 10 CGCDRN CCOC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC1 ZINC000708393294 799988813 /nfs/dbraw/zinc/98/88/13/799988813.db2.gz BWBZUYYNRPRQFM-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN CC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC(F)(F)C1 ZINC000708494416 799990081 /nfs/dbraw/zinc/99/00/81/799990081.db2.gz JAYOWZSYWNIFDR-UHFFFAOYSA-N 0 0 277.261 3.195 20 10 CGCDRN CS[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708553408 799991540 /nfs/dbraw/zinc/99/15/40/799991540.db2.gz BVVOFWMCSUHGFS-NWDGAFQWSA-N 0 0 287.375 3.434 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000708550091 799992783 /nfs/dbraw/zinc/99/27/83/799992783.db2.gz WCWRKNDWBQHORI-QMMMGPOBSA-N 0 0 284.331 3.020 20 10 CGCDRN CCc1cccc(CNc2ccc3c(c2)OCO3)c1O ZINC000709426106 800008285 /nfs/dbraw/zinc/00/82/85/800008285.db2.gz YRLDRSRTBJFDOP-UHFFFAOYSA-N 0 0 271.316 3.295 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000713529270 800112446 /nfs/dbraw/zinc/11/24/46/800112446.db2.gz SRVJMUAFDCTFCG-GLQYFDAESA-N 0 0 293.794 3.093 20 10 CGCDRN C[C@@H](F)CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715736946 800145881 /nfs/dbraw/zinc/14/58/81/800145881.db2.gz GHCUNGTUWXTVTO-SSDOTTSWSA-N 0 0 294.139 3.132 20 10 CGCDRN CCOc1cccc(CNCc2ncc(Cl)s2)c1O ZINC000719429077 800239031 /nfs/dbraw/zinc/23/90/31/800239031.db2.gz GCKGZEFNWBUYLK-UHFFFAOYSA-N 0 0 298.795 3.191 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCc1csnn1 ZINC000806586034 800400789 /nfs/dbraw/zinc/40/07/89/800400789.db2.gz QZWYTIDAQATUPM-UHFFFAOYSA-N 0 0 288.401 3.231 20 10 CGCDRN Oc1c(Cl)cccc1CNc1ccnc(C2CC2)n1 ZINC000897392327 800589558 /nfs/dbraw/zinc/58/95/58/800589558.db2.gz XEVJRFBDJXJADL-UHFFFAOYSA-N 0 0 275.739 3.325 20 10 CGCDRN CCCCCCc1nnc(CCc2ccc(O)c(O)c2)o1 ZINC001256362331 806868234 /nfs/dbraw/zinc/86/82/34/806868234.db2.gz PFQVGGDNRHRISD-UHFFFAOYSA-N 0 0 290.363 3.389 20 10 CGCDRN CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001116489100 802365874 /nfs/dbraw/zinc/36/58/74/802365874.db2.gz WVSYTJYSULGEKV-KBPBESRZSA-N 0 0 282.815 3.008 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c(O)c1O ZINC001116512551 802368341 /nfs/dbraw/zinc/36/83/41/802368341.db2.gz SKIVJLIOPYNPGT-STQMWFEESA-N 0 0 289.375 3.059 20 10 CGCDRN CCCCC(=O)Nc1c2nonc2ccc1Cl ZINC001116837698 802418516 /nfs/dbraw/zinc/41/85/16/802418516.db2.gz SWGPQWRSKGWUQY-UHFFFAOYSA-N 0 0 253.689 3.005 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccnc1C ZINC001117116008 802434578 /nfs/dbraw/zinc/43/45/78/802434578.db2.gz WHJZVVDZZJDETJ-UHFFFAOYSA-N 0 0 298.386 3.077 20 10 CGCDRN Cc1cc(C)c(C(=O)Nc2c3nonc3ccc2Cl)o1 ZINC001117507277 802469123 /nfs/dbraw/zinc/46/91/23/802469123.db2.gz GDLGTOQKYUDGOZ-UHFFFAOYSA-N 0 0 291.694 3.338 20 10 CGCDRN CN(C(=O)NCc1ccc(N)cc1)[C@H]1CCc2ccccc21 ZINC001120591683 802750969 /nfs/dbraw/zinc/75/09/69/802750969.db2.gz FTJZMKCGODKIGM-KRWDZBQOSA-N 0 0 295.386 3.098 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC001120659640 802758655 /nfs/dbraw/zinc/75/86/55/802758655.db2.gz MVGFADQWSRWZGK-CVEARBPZSA-N 0 0 287.407 3.037 20 10 CGCDRN Nc1ccc(NC(=O)c2oc(C3CC3)nc2C(F)F)cc1 ZINC001121810290 802845950 /nfs/dbraw/zinc/84/59/50/802845950.db2.gz UMPHCTZLVACIBN-UHFFFAOYSA-N 0 0 293.273 3.324 20 10 CGCDRN C[C@H]1CC[C@@](C)(C(=O)NCc2cccc(O)c2O)C1(C)C ZINC001123889244 802978873 /nfs/dbraw/zinc/97/88/73/802978873.db2.gz NZSZQUNQOIQGJH-GTNSWQLSSA-N 0 0 291.391 3.176 20 10 CGCDRN Cc1nc(OCC(C)C)ccc1-c1ncnc2c1ccn2C ZINC001243787178 803005498 /nfs/dbraw/zinc/00/54/98/803005498.db2.gz LKDCFXGAWGGXCF-UHFFFAOYSA-N 0 0 296.374 3.374 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCOc2cccc(F)c21 ZINC001127119332 803128634 /nfs/dbraw/zinc/12/86/34/803128634.db2.gz ZWFPJNLCXXNNSH-ZRDIBKRKSA-N 0 0 298.317 3.050 20 10 CGCDRN CC(C)[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc21 ZINC001128569638 803196501 /nfs/dbraw/zinc/19/65/01/803196501.db2.gz RNLGMKNPZVDAMZ-QWGSZXSUSA-N 0 0 295.386 3.220 20 10 CGCDRN CCn1ccc(-c2ccccc2N2CCCC2)cc1=O ZINC001244181833 803230730 /nfs/dbraw/zinc/23/07/30/803230730.db2.gz DPHOHANTFPJCPK-UHFFFAOYSA-N 0 0 268.360 3.135 20 10 CGCDRN Cc1cc(CC(=O)Nc2ccon2)c(C)n1-c1ccccc1 ZINC001129996369 803263999 /nfs/dbraw/zinc/26/39/99/803263999.db2.gz COIRLNKMNUEXBM-UHFFFAOYSA-N 0 0 295.342 3.263 20 10 CGCDRN CC(=O)c1ccc(N(C)C(=O)C(C)=Cc2cccnc2)cc1 ZINC001133055312 803451367 /nfs/dbraw/zinc/45/13/67/803451367.db2.gz ZWLOTSYSOSEPDF-ACCUITESSA-N 0 0 294.354 3.351 20 10 CGCDRN COc1ccc2c(c1)CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137832036 803776882 /nfs/dbraw/zinc/77/68/82/803776882.db2.gz XWLZOXKPOYONGZ-UHFFFAOYSA-N 0 0 287.334 3.098 20 10 CGCDRN Cc1cccc2c1CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137831755 803778059 /nfs/dbraw/zinc/77/80/59/803778059.db2.gz MGGNNAOFCCBIPF-UHFFFAOYSA-N 0 0 271.335 3.398 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCc2ccsc2C1 ZINC001137837874 803779645 /nfs/dbraw/zinc/77/96/45/803779645.db2.gz XYJDVTLNDKCYOD-UHFFFAOYSA-N 0 0 263.337 3.151 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001137837848 803780658 /nfs/dbraw/zinc/78/06/58/803780658.db2.gz WZNJHWGFJRWLCD-VIFPVBQESA-N 0 0 277.261 3.306 20 10 CGCDRN Nc1ccc(N(CCO)c2cccc(OC(F)F)c2)cc1 ZINC001212060879 814971431 /nfs/dbraw/zinc/97/14/31/814971431.db2.gz MVXGJGGAGSJJCL-UHFFFAOYSA-N 0 0 294.301 3.001 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001138131270 803865126 /nfs/dbraw/zinc/86/51/26/803865126.db2.gz UWQLLCZDXCTFKO-INIZCTEOSA-N 0 0 293.382 3.312 20 10 CGCDRN Cc1cc(CN2Cc3ncsc3C2)ccc1N(C)C ZINC001139673885 804246985 /nfs/dbraw/zinc/24/69/85/804246985.db2.gz MGWHMGUZLLAUNM-UHFFFAOYSA-N 0 0 273.405 3.033 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])c1 ZINC001139682708 804252599 /nfs/dbraw/zinc/25/25/99/804252599.db2.gz AURGDAWSRIAKKH-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])CCC1(F)F ZINC001139685593 804253195 /nfs/dbraw/zinc/25/31/95/804253195.db2.gz OWTHVYDVQBESHS-MRVPVSSYSA-N 0 0 277.261 3.148 20 10 CGCDRN CCN(CC(=O)OC(C)(C)C)Cc1c(C)ccc(C)c1O ZINC001140182345 804396649 /nfs/dbraw/zinc/39/66/49/804396649.db2.gz POULHWQOIANCJN-UHFFFAOYSA-N 0 0 293.407 3.173 20 10 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/nfs/dbraw/zinc/55/82/88/812558288.db2.gz MZKWANYGQUSFJC-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccoc2)C1 ZINC001204244380 812585599 /nfs/dbraw/zinc/58/55/99/812585599.db2.gz BYESOLIWWBAOLE-UHFFFAOYSA-N 0 0 296.370 3.338 20 10 CGCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(N2CCCC2)cc1 ZINC001204322593 812612826 /nfs/dbraw/zinc/61/28/26/812612826.db2.gz SZFSDLATRCVEGC-HDICACEKSA-N 0 0 298.430 3.373 20 10 CGCDRN CC(C)c1ccc(O)c(CN2CCCc3n[nH]cc32)c1 ZINC001205550817 813001817 /nfs/dbraw/zinc/00/18/17/813001817.db2.gz CCMHOZJKZJUKFZ-UHFFFAOYSA-N 0 0 271.364 3.192 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(CN2CCO[C@H]3C[C@H]32)cc1 ZINC001209517171 814070556 /nfs/dbraw/zinc/07/05/56/814070556.db2.gz ABTBEXULWLWTHG-MSOLQXFVSA-N 0 0 282.387 3.067 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(CN2CC3(CCO3)C2)cc1 ZINC001209519686 814072959 /nfs/dbraw/zinc/07/29/59/814072959.db2.gz DZENWLGTQNBBHZ-UHFFFAOYSA-N 0 0 282.387 3.069 20 10 CGCDRN c1cnn(-c2ccccc2Nc2ccc3c(c2)OCCN3)c1 ZINC001209726934 814123237 /nfs/dbraw/zinc/12/32/37/814123237.db2.gz FQYDZKHNMSNWAP-UHFFFAOYSA-N 0 0 292.342 3.420 20 10 CGCDRN c1nnc(-c2ccc(Nc3ccc4c(c3)OCCN4)cc2)o1 ZINC001209766044 814132870 /nfs/dbraw/zinc/13/28/70/814132870.db2.gz FMGBLTUCJRELSE-UHFFFAOYSA-N 0 0 294.314 3.285 20 10 CGCDRN CC(=O)Nc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209766757 814135046 /nfs/dbraw/zinc/13/50/46/814135046.db2.gz VNIDBEKQOOAXLW-UHFFFAOYSA-N 0 0 283.331 3.193 20 10 CGCDRN Oc1cccc(Nc2ccc3cccnc3c2)c1O ZINC001210055198 814268184 /nfs/dbraw/zinc/26/81/84/814268184.db2.gz BDYFMEQYKCPDSX-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN CCOC(=O)[C@@H](CCc1ccccc1)Oc1ccc(N)cc1 ZINC001218285798 816152501 /nfs/dbraw/zinc/15/25/01/816152501.db2.gz GRPYZPMNQPIEAI-QGZVFWFLSA-N 0 0 299.370 3.212 20 10 CGCDRN COc1ccc(OC[C@@H](C)Oc2ccc(N)cc2)cc1 ZINC001218358008 816177501 /nfs/dbraw/zinc/17/75/01/816177501.db2.gz NRALEKZWOMPJLT-GFCCVEGCSA-N 0 0 273.332 3.124 20 10 CGCDRN CCCCOC[C@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939271 817759461 /nfs/dbraw/zinc/75/94/61/817759461.db2.gz QMDJFLMFNNVNOQ-ZDUSSCGKSA-N 0 0 251.370 3.337 20 10 CGCDRN C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231453243 818102794 /nfs/dbraw/zinc/10/27/94/818102794.db2.gz JEXKUKWCAUPBIA-YEORSEQZSA-N 0 0 277.364 3.101 20 10 CGCDRN COc1cc2c(cc1OC)CN(Cc1cccc(C)c1O)C2 ZINC001231595141 818133360 /nfs/dbraw/zinc/13/33/60/818133360.db2.gz PABWJPGHPBPKGZ-UHFFFAOYSA-N 0 0 299.370 3.234 20 10 CGCDRN COc1cc(N(C)C)ccc1CN1Cc2ccccc2C1 ZINC001231849238 818188452 /nfs/dbraw/zinc/18/84/52/818188452.db2.gz PLYIILXCSCLGPF-UHFFFAOYSA-N 0 0 282.387 3.277 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001231867069 818192119 /nfs/dbraw/zinc/19/21/19/818192119.db2.gz HFLGPTCHJQRZED-MNOVXSKESA-N 0 0 287.737 3.441 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001231909405 818209253 /nfs/dbraw/zinc/20/92/53/818209253.db2.gz CJFHXIWVMQHNDM-OAHLLOKOSA-N 0 0 281.783 3.191 20 10 CGCDRN COc1cc(O)c(CN(C)Cc2nccs2)cc1Cl ZINC001232269464 818300522 /nfs/dbraw/zinc/30/05/22/818300522.db2.gz BHNWJANKDSURNH-UHFFFAOYSA-N 0 0 298.795 3.143 20 10 CGCDRN COc1cc(O)c(CN(C)Cc2cscn2)cc1Cl ZINC001232269455 818300754 /nfs/dbraw/zinc/30/07/54/818300754.db2.gz AYRYVVMUYQVROT-UHFFFAOYSA-N 0 0 298.795 3.143 20 10 CGCDRN CCC[N@@H+](Cc1ccc(N(C)C)cc1O)CC(C)C ZINC001232840477 818453747 /nfs/dbraw/zinc/45/37/47/818453747.db2.gz BEHPLLSGEVHNSE-UHFFFAOYSA-N 0 0 264.413 3.326 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)Cc1cnc(C)cc1C ZINC001233009936 818501170 /nfs/dbraw/zinc/50/11/70/818501170.db2.gz PPUPYSVOLKOYRH-UHFFFAOYSA-N 0 0 270.376 3.426 20 10 CGCDRN CCCOC1CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286521 818567334 /nfs/dbraw/zinc/56/73/34/818567334.db2.gz XFIMDBFIPLIBEO-UHFFFAOYSA-N 0 0 277.408 3.301 20 10 CGCDRN CC(C)(C)c1ccc(O)c(CN2CCOCC23CC3)c1 ZINC001233286742 818568511 /nfs/dbraw/zinc/56/85/11/818568511.db2.gz HJMXBLGGTALCKO-UHFFFAOYSA-N 0 0 275.392 3.055 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001233334349 818586304 /nfs/dbraw/zinc/58/63/04/818586304.db2.gz CIMVVACDZLUQGS-CQSZACIVSA-N 0 0 290.313 3.403 20 10 CGCDRN CN(Cc1ccc(Cl)nc1)Cc1c(O)ccc(F)c1F ZINC001233335233 818586913 /nfs/dbraw/zinc/58/69/13/818586913.db2.gz MYKIKOHNHQTARZ-UHFFFAOYSA-N 0 0 298.720 3.351 20 10 CGCDRN CCN1CCc2cc(OC3CCC(OC)CC3)ccc21 ZINC001233600777 818655027 /nfs/dbraw/zinc/65/50/27/818655027.db2.gz AWCKHIYUXIHMDS-UHFFFAOYSA-N 0 0 275.392 3.405 20 10 CGCDRN CCN1CCc2cc(O[C@H](C)c3cnn(C)c3C)ccc21 ZINC001233607436 818657820 /nfs/dbraw/zinc/65/78/20/818657820.db2.gz KUAKIPJKNRTPGP-CYBMUJFWSA-N 0 0 285.391 3.251 20 10 CGCDRN C[N@H+](Cc1ccccc1O)Cc1c[nH]c(=O)c2ccccc12 ZINC001234008018 818754731 /nfs/dbraw/zinc/75/47/31/818754731.db2.gz OXHFDRKWHHCGLO-UHFFFAOYSA-N 0 0 294.354 3.278 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](c1cccnc1)C1CC1 ZINC001234476168 818864042 /nfs/dbraw/zinc/86/40/42/818864042.db2.gz LMZWOGUCBSEGOK-KRWDZBQOSA-N 0 0 299.326 3.226 20 10 CGCDRN Cc1cc(-c2ccn(CC(C)C)c(=O)c2)cnc1F ZINC001243399983 823393305 /nfs/dbraw/zinc/39/33/05/823393305.db2.gz FOGXAOMGACPREY-UHFFFAOYSA-N 0 0 260.312 3.014 20 10 CGCDRN CCc1ccc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236792486 819596467 /nfs/dbraw/zinc/59/64/67/819596467.db2.gz QQEORKBZLJULRF-LBPRGKRZSA-N 0 0 293.407 3.117 20 10 CGCDRN COc1cc(O)c(CN(C)Cc2cccnc2)c(Cl)c1 ZINC001236801258 819600766 /nfs/dbraw/zinc/60/07/66/819600766.db2.gz CHCPDFTXPLSLKA-UHFFFAOYSA-N 0 0 292.766 3.081 20 10 CGCDRN C[N@H+](Cc1cncnc1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236804307 819602141 /nfs/dbraw/zinc/60/21/41/819602141.db2.gz QRAVGQDPIHYDKO-UHFFFAOYSA-N 0 0 298.173 3.121 20 10 CGCDRN Cc1nc2c(o1)CCN(Cc1ccc(C(C)C)cc1O)C2 ZINC001237052112 819653056 /nfs/dbraw/zinc/65/30/56/819653056.db2.gz UELCVPQEWMUCSC-UHFFFAOYSA-N 0 0 286.375 3.370 20 10 CGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCC(F)(F)C1 ZINC001237134764 819675215 /nfs/dbraw/zinc/67/52/15/819675215.db2.gz BZWVZHWPXPWQRV-UHFFFAOYSA-N 0 0 281.224 3.252 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cc3ccccn3n2)cc1 ZINC001237451670 819754365 /nfs/dbraw/zinc/75/43/65/819754365.db2.gz MBYHCURRSRFIFM-UHFFFAOYSA-N 0 0 294.402 3.032 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237622113 819788988 /nfs/dbraw/zinc/78/89/88/819788988.db2.gz MYEXQAKPTYVYTH-SWPVVBRQSA-N 0 0 273.710 3.117 20 10 CGCDRN Cc1cc(O)c(CN2CC[C@H](F)C2)cc1Br ZINC001237676560 819804647 /nfs/dbraw/zinc/80/46/47/819804647.db2.gz KWTSKRFVHJUARO-JTQLQIEISA-N 0 0 288.160 3.007 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCCC(=O)[C@@H](C)C2)c1O ZINC001237681755 819805994 /nfs/dbraw/zinc/80/59/94/819805994.db2.gz QHRMPYNVZHSZLO-NSHDSACASA-N 0 0 281.783 3.155 20 10 CGCDRN Cc1cc(Cl)cc(CN(C)CC(F)(F)F)c1O ZINC001237681783 819807535 /nfs/dbraw/zinc/80/75/35/819807535.db2.gz RWOLOVPTIYBQDE-UHFFFAOYSA-N 0 0 267.678 3.348 20 10 CGCDRN C[NH+](C)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237789555 819839513 /nfs/dbraw/zinc/83/95/13/819839513.db2.gz SSXFTZVIQTUAAJ-UHFFFAOYSA-N 0 0 298.102 3.235 20 10 CGCDRN C[N@H+](Cc1ccccn1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237808784 819847902 /nfs/dbraw/zinc/84/79/02/819847902.db2.gz WKPMUWSLRNJHHW-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN Cc1nc2c(s1)CN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001237940420 819888664 /nfs/dbraw/zinc/88/86/64/819888664.db2.gz KFHMQYCXESGUTG-UHFFFAOYSA-N 0 0 298.770 3.465 20 10 CGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001237938086 819889762 /nfs/dbraw/zinc/88/97/62/819889762.db2.gz XNPRNPWQLLJJQC-UHFFFAOYSA-N 0 0 299.773 3.187 20 10 CGCDRN Oc1cc(Cl)c(F)cc1CN1CC(c2cccnc2)C1 ZINC001237948260 819892280 /nfs/dbraw/zinc/89/22/80/819892280.db2.gz BOYCHTFLIYTFEB-UHFFFAOYSA-N 0 0 292.741 3.179 20 10 CGCDRN Cc1cc(F)cc(CN2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001238064784 819921496 /nfs/dbraw/zinc/92/14/96/819921496.db2.gz QNVKBGZZZZUYPZ-JSGCOSHPSA-N 0 0 273.298 3.112 20 10 CGCDRN O=c1cc(-c2cnc3ccccc3c2)ccn1CC1CC1 ZINC001239796868 820611905 /nfs/dbraw/zinc/61/19/05/820611905.db2.gz UVLCMDWLSQYKDC-UHFFFAOYSA-N 0 0 276.339 3.474 20 10 CGCDRN COC(=O)c1ncccc1-c1ccc2ccn(C)c2c1 ZINC001240574098 821160170 /nfs/dbraw/zinc/16/01/70/821160170.db2.gz SJJFSQYLJJLMDA-UHFFFAOYSA-N 0 0 266.300 3.027 20 10 CGCDRN Cn1ccc2ccc(-c3cnn(CC4CCC4)c(=O)c3)cc21 ZINC001240576293 821162035 /nfs/dbraw/zinc/16/20/35/821162035.db2.gz RBARPSREDYWUCU-UHFFFAOYSA-N 0 0 293.370 3.202 20 10 CGCDRN CCn1ccc(-c2cccnc2OC(C)(C)C)cc1=O ZINC001241152241 821603694 /nfs/dbraw/zinc/60/36/94/821603694.db2.gz RXDMRFHZXBMMTM-UHFFFAOYSA-N 0 0 272.348 3.108 20 10 CGCDRN Cc1ncc(C2=CCN(c3ccccc3)CC2)nc1C ZINC001241337517 821743907 /nfs/dbraw/zinc/74/39/07/821743907.db2.gz FPGBZEORVJGAHK-UHFFFAOYSA-N 0 0 265.360 3.387 20 10 CGCDRN c1nc2c(C3=CCN(c4ccccc4)CC3)cccn2n1 ZINC001241351921 821754082 /nfs/dbraw/zinc/75/40/82/821754082.db2.gz JCBQFYBFZVTEBP-UHFFFAOYSA-N 0 0 276.343 3.023 20 10 CGCDRN CSc1ncc(-c2cccc3c2ccn3C)cn1 ZINC001241627899 822005256 /nfs/dbraw/zinc/00/52/56/822005256.db2.gz SAAWXOCZQGGJRM-UHFFFAOYSA-N 0 0 255.346 3.357 20 10 CGCDRN CSc1cnc(-c2cccc3c2ccn3C)cn1 ZINC001241823202 822164086 /nfs/dbraw/zinc/16/40/86/822164086.db2.gz XTMUQQOLDJMOBY-UHFFFAOYSA-N 0 0 255.346 3.357 20 10 CGCDRN CC(C)SCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001334907309 936121595 /nfs/dbraw/zinc/12/15/95/936121595.db2.gz DSBBTWFGLHTPQX-UHFFFAOYSA-N 0 0 288.407 3.262 20 10 CGCDRN Cc1cc(O)c(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001339605051 936379023 /nfs/dbraw/zinc/37/90/23/936379023.db2.gz OXMHBBLBNOWSNH-UHFFFAOYSA-N 0 0 298.342 3.433 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC001342018616 936457643 /nfs/dbraw/zinc/45/76/43/936457643.db2.gz AYNNUADAFQMCOD-DJIMGWMZSA-N 0 0 286.419 3.492 20 10 CGCDRN CCCCSCC(=O)Nc1c2nonc2ccc1Cl ZINC001342949420 936484982 /nfs/dbraw/zinc/48/49/82/936484982.db2.gz BTUBLWSKSDDBNF-UHFFFAOYSA-N 0 0 299.783 3.348 20 10 CGCDRN CNC(=O)c1ccc(NCc2cc(C)c(C)cc2O)c(C)c1 ZINC001345172951 936805184 /nfs/dbraw/zinc/80/51/84/936805184.db2.gz FWMRUBQHLVHIKI-UHFFFAOYSA-N 0 0 298.386 3.289 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)C(F)=C1CCC1 ZINC001345671743 936821158 /nfs/dbraw/zinc/82/11/58/936821158.db2.gz LUENLTMBFPCFBE-UHFFFAOYSA-N 0 0 281.674 3.222 20 10 CGCDRN O=C(c1cc2c(o1)CCCC2)N1Cc2cccc(O)c2C1 ZINC001347888946 936901010 /nfs/dbraw/zinc/90/10/10/936901010.db2.gz IBQKHKPDJPLIIL-UHFFFAOYSA-N 0 0 283.327 3.020 20 10 CGCDRN CCCC[C@H](CC)CC(=O)NCc1cccc(O)c1O ZINC001350299683 936986014 /nfs/dbraw/zinc/98/60/14/936986014.db2.gz HGRQOPBYPJXFNT-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN CCCC[N@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC001355216863 937130621 /nfs/dbraw/zinc/13/06/21/937130621.db2.gz VWNOKQIXMQAAFT-UHFFFAOYSA-N 0 0 279.380 3.174 20 10 CGCDRN Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC001357791400 937180339 /nfs/dbraw/zinc/18/03/39/937180339.db2.gz LKELFPOVGZGWRJ-CQSZACIVSA-N 0 0 297.402 3.480 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2ccc(C)cc21 ZINC001357871000 937181956 /nfs/dbraw/zinc/18/19/56/937181956.db2.gz NRQSHIRUHCDYRR-SDNWHVSQSA-N 0 0 278.355 3.383 20 10 CGCDRN Oc1ccc(F)cc1CN1Cc2cc(F)c(F)cc2C1 ZINC001308837595 928547247 /nfs/dbraw/zinc/54/72/47/928547247.db2.gz FNWPCROFRPGSRR-UHFFFAOYSA-N 0 0 279.261 3.325 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncccc2F)c(C)c1 ZINC000752767027 928827991 /nfs/dbraw/zinc/82/79/91/928827991.db2.gz WYVVRFRVGJQIOA-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CC1(C)C(C(=O)NCc2ccc3cccnc3c2O)C1(C)C ZINC001451952490 937393425 /nfs/dbraw/zinc/39/34/25/937393425.db2.gz IZFLQEVMOMHLNA-UHFFFAOYSA-N 0 0 298.386 3.239 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC001453651553 937404288 /nfs/dbraw/zinc/40/42/88/937404288.db2.gz OVWDLTCPVJAQEN-UHFFFAOYSA-N 0 0 298.317 3.251 20 10 CGCDRN C[C@@H](CC(=O)NCc1cc(O)ccc1O)C1CCCCC1 ZINC001455355520 937416977 /nfs/dbraw/zinc/41/69/77/937416977.db2.gz BFVHRESLYJWUGQ-LBPRGKRZSA-N 0 0 291.391 3.321 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(Cl)nc1 ZINC001459680887 937496178 /nfs/dbraw/zinc/49/61/78/937496178.db2.gz AHHHFVFVQSXFBW-GQCTYLIASA-N 0 0 293.779 3.176 20 10 CGCDRN CC(C)CN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1 ZINC001459934078 937507242 /nfs/dbraw/zinc/50/72/42/937507242.db2.gz UZMUTKIHEVYCSP-MDZDMXLPSA-N 0 0 283.375 3.123 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@@H]2CC[C@@H](C)O2)cc1 ZINC001460130417 937516817 /nfs/dbraw/zinc/51/68/17/937516817.db2.gz NWPZCUWPQYOGRE-DYVFJYSZSA-N 0 0 275.392 3.479 20 10 CGCDRN Cc1cccc(CNc2cc(-c3ncc[nH]3)ccn2)c1O ZINC001160770537 931984419 /nfs/dbraw/zinc/98/44/19/931984419.db2.gz YRIFKRJXUMMWKJ-UHFFFAOYSA-N 0 0 280.331 3.098 20 10 CGCDRN C[C@@H](COc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001461118750 937564627 /nfs/dbraw/zinc/56/46/27/937564627.db2.gz YDAIKFYCWYJTCE-NSHDSACASA-N 0 0 293.313 3.228 20 10 CGCDRN CC[C@H](NCc1c(C)c2ccccc2n1C)c1noc(C)n1 ZINC001461285500 937574806 /nfs/dbraw/zinc/57/48/06/937574806.db2.gz KZDCCUWPQRXUDC-AWEZNQCLSA-N 0 0 298.390 3.419 20 10 CGCDRN COC1CCC([N@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001461958964 937609168 /nfs/dbraw/zinc/60/91/68/937609168.db2.gz DKQOIUMUYNISCD-UHFFFAOYSA-N 0 0 285.334 3.060 20 10 CGCDRN CCCC[C@H](CC)CC(=O)NCc1c(O)cccc1O ZINC001304053045 932841747 /nfs/dbraw/zinc/84/17/47/932841747.db2.gz AIYBTIXFAOCEBS-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN O=C(/C=C\c1cccs1)NCc1cccc(Cl)c1O ZINC001305083799 932860583 /nfs/dbraw/zinc/86/05/83/932860583.db2.gz DGZTYRBDVCSGNG-SREVYHEPSA-N 0 0 293.775 3.437 20 10 CGCDRN Oc1ccccc1CN(Cc1ccco1)c1nccnc1F ZINC001307080044 932911127 /nfs/dbraw/zinc/91/11/27/932911127.db2.gz HGIDNMOWIDGJSF-UHFFFAOYSA-N 0 0 299.305 3.121 20 10 CGCDRN CC(C)C1(O)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001462667619 937658417 /nfs/dbraw/zinc/65/84/17/937658417.db2.gz SOPJIQTWKMGZGT-UHFFFAOYSA-N 0 0 283.799 3.029 20 10 CGCDRN CN(C)c1ccc(C=CCNc2cccc3n[nH]nc32)cc1 ZINC001308408010 933106789 /nfs/dbraw/zinc/10/67/89/933106789.db2.gz HWVTUYJFGARBNU-PLNGDYQASA-N 0 0 293.374 3.149 20 10 CGCDRN Cc1nnc([C@H](C)NCc2ccc(Cl)cc2O)s1 ZINC001308672701 933154592 /nfs/dbraw/zinc/15/45/92/933154592.db2.gz NMKXYQQUCDDQPC-ZETCQYMHSA-N 0 0 283.784 3.056 20 10 CGCDRN C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308716145 933164336 /nfs/dbraw/zinc/16/43/36/933164336.db2.gz QFLHFXTUIOUVNE-VHSXEESVSA-N 0 0 255.308 3.196 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1C ZINC001311418754 933298004 /nfs/dbraw/zinc/29/80/04/933298004.db2.gz RJGYDQIJBKWNOV-JTNHKYCSSA-N 0 0 294.370 3.155 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2CC2)cc1 ZINC001317801088 933652145 /nfs/dbraw/zinc/65/21/45/933652145.db2.gz NLAXTONMCVNLOZ-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2(C)CC2)cc1 ZINC001318631897 933755517 /nfs/dbraw/zinc/75/55/17/933755517.db2.gz GKGWCFCXMQOCNW-UHFFFAOYSA-N 0 0 268.360 3.376 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2cncc(Cl)c2)c1 ZINC001467100187 937715043 /nfs/dbraw/zinc/71/50/43/937715043.db2.gz NDVHLCXCAOMTDZ-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)[C@@H](C)C(C)(C)C ZINC001471975618 937771141 /nfs/dbraw/zinc/77/11/41/937771141.db2.gz ABKPHTKVXNBTBE-GHMZBOCLSA-N 0 0 281.371 3.466 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCC3(CCC3)O2)cc1F ZINC001473250495 937798995 /nfs/dbraw/zinc/79/89/95/937798995.db2.gz KDDQBIGVKNHLQS-ZDUSSCGKSA-N 0 0 279.355 3.372 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](F)C2)cc1F ZINC001326157441 934954843 /nfs/dbraw/zinc/95/48/43/934954843.db2.gz YEWJFKOWHLSPLH-CHWSQXEVSA-N 0 0 296.361 3.036 20 10 CGCDRN Oc1cc(Br)ccc1C[NH2+][C@H]1C=CCCC1 ZINC001328197283 935123499 /nfs/dbraw/zinc/12/34/99/935123499.db2.gz LMFVDFZNACYGRR-LBPRGKRZSA-N 0 0 282.181 3.353 20 10 CGCDRN Oc1cc(Br)ccc1C[NH2+][C@@H]1C=CCCC1 ZINC001328197255 935123661 /nfs/dbraw/zinc/12/36/61/935123661.db2.gz LMFVDFZNACYGRR-GFCCVEGCSA-N 0 0 282.181 3.353 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCC[C@@H](F)C1)c1ccccc1O ZINC001329961382 935257290 /nfs/dbraw/zinc/25/72/90/935257290.db2.gz ZJVKYRCXTRSGGK-TUAOUCFPSA-N 0 0 280.343 3.033 20 10 CGCDRN Cc1cc(NCc2c(O)ccc3c2CCCC3)nc(F)n1 ZINC001331104079 935350993 /nfs/dbraw/zinc/35/09/93/935350993.db2.gz OHVLNXSMGCWFNK-UHFFFAOYSA-N 0 0 287.338 3.121 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1c([O-])cccc1F ZINC001331251131 935361342 /nfs/dbraw/zinc/36/13/42/935361342.db2.gz CAFBOKVWNPEHOA-IACUBPJLSA-N 0 0 280.387 3.055 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001331287850 935365445 /nfs/dbraw/zinc/36/54/45/935365445.db2.gz CHLMJDONDMKZGR-GXSJLCMTSA-N 0 0 259.271 3.041 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1c([O-])cccc1F ZINC001332365921 935462800 /nfs/dbraw/zinc/46/28/00/935462800.db2.gz SEJHMWAMZYCLRO-HBNTYKKESA-N 0 0 255.308 3.463 20 10 CGCDRN COc1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC001333056033 935508030 /nfs/dbraw/zinc/50/80/30/935508030.db2.gz IGSODGVQUUILRT-UHFFFAOYSA-N 0 0 283.375 3.303 20 10 CGCDRN CC[C@H](F)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001337134032 936238937 /nfs/dbraw/zinc/23/89/37/936238937.db2.gz VOPUXRVUKDAJHH-AWEZNQCLSA-N 0 0 291.322 3.262 20 10 CGCDRN C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001477310636 937894691 /nfs/dbraw/zinc/89/46/91/937894691.db2.gz HPYHCNOLGXHNPH-ZWNOBZJWSA-N 0 0 296.798 3.424 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC12CCC2 ZINC001523553079 938040272 /nfs/dbraw/zinc/04/02/72/938040272.db2.gz FVFGDGFFOAAWMX-KRWDZBQOSA-N 0 0 298.430 3.435 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cnn(C)c1)CC[C@@H]2C ZINC001526673378 938057347 /nfs/dbraw/zinc/05/73/47/938057347.db2.gz TZISREKZHBYUMN-GWJCSSMESA-N 0 0 295.386 3.282 20 10 CGCDRN Cc1ccc(N(CC(C)C)C(=O)/C=C\c2cnn(C)c2)cc1 ZINC001529069245 938070680 /nfs/dbraw/zinc/07/06/80/938070680.db2.gz TTYMMMZGBWNPJA-YFHOEESVSA-N 0 0 297.402 3.431 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001540567337 938132295 /nfs/dbraw/zinc/13/22/95/938132295.db2.gz IJMMYQZGQYTNEH-PIIMJCKOSA-N 0 0 298.430 3.291 20 10 CGCDRN CC(C)c1ccc(C(=O)NCc2cccc(O)c2O)s1 ZINC001548791620 938152079 /nfs/dbraw/zinc/15/20/79/938152079.db2.gz NRVXQWQZETYBQX-UHFFFAOYSA-N 0 0 291.372 3.213 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2c(F)ccc(C)c2F)c1 ZINC001557552260 938210619 /nfs/dbraw/zinc/21/06/19/938210619.db2.gz ASNVFGZHQONBBI-UHFFFAOYSA-N 0 0 291.297 3.217 20 10 CGCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cs1 ZINC001557725753 938211635 /nfs/dbraw/zinc/21/16/35/938211635.db2.gz PQBZEXCNJOQVER-UHFFFAOYSA-N 0 0 288.332 3.471 20 10 CGCDRN Cc1ccc(F)c(C(=O)N[C@H](C)c2ccccc2O)c1F ZINC001557967014 938212899 /nfs/dbraw/zinc/21/28/99/938212899.db2.gz UCQIGZFKIBBVGI-SNVBAGLBSA-N 0 0 291.297 3.470 20 10 CGCDRN C/C(=C/C(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1 ZINC001558035743 938213346 /nfs/dbraw/zinc/21/33/46/938213346.db2.gz OCYKPDMLLDYKKR-WQLSENKSSA-N 0 0 297.329 3.477 20 10 CGCDRN CCC(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001558035521 938213403 /nfs/dbraw/zinc/21/34/03/938213403.db2.gz JQOXHCALHTWMOT-UHFFFAOYSA-N 0 0 295.338 3.141 20 10 CGCDRN C/C(=C/C(=O)NCc1c(O)cccc1O)c1ccccc1C ZINC001558534592 938216085 /nfs/dbraw/zinc/21/60/85/938216085.db2.gz VQTGRRVGYLYMNG-RAXLEYEMSA-N 0 0 297.354 3.126 20 10 CGCDRN CCOc1cccc(NCc2cc(F)cc(F)c2O)n1 ZINC001560532777 938261955 /nfs/dbraw/zinc/26/19/55/938261955.db2.gz WBCSLNIXBVKRJJ-UHFFFAOYSA-N 0 0 280.274 3.076 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCC(F)F)c1 ZINC001560617628 938265852 /nfs/dbraw/zinc/26/58/52/938265852.db2.gz BTKYMQOWLLBELH-UHFFFAOYSA-N 0 0 294.139 3.208 20 10 CGCDRN [O-]c1c(C[N@H+](CC2CC2)C2CCC2)ccc(F)c1F ZINC001560786470 938275864 /nfs/dbraw/zinc/27/58/64/938275864.db2.gz XXICXXASQULXQN-UHFFFAOYSA-N 0 0 267.319 3.435 20 10 CGCDRN CCC(C)(C)OC1CN(Cc2ccc(Cl)cc2O)C1 ZINC001560934668 938285102 /nfs/dbraw/zinc/28/51/02/938285102.db2.gz WMNAGTASEPBJRR-UHFFFAOYSA-N 0 0 283.799 3.435 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2)c(O)c1 ZINC001611171481 970922728 /nfs/dbraw/zinc/92/27/28/970922728.db2.gz NKORGQKELPIKCH-LBPRGKRZSA-N 0 0 285.343 3.250 20 10 CGCDRN CC[C@@H](C)[C@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001117548420 957838866 /nfs/dbraw/zinc/83/88/66/957838866.db2.gz RGCAYULOEZTNOE-SFYZADRCSA-N 0 0 281.743 3.497 20 10 CGCDRN CCCONC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001570716149 962056814 /nfs/dbraw/zinc/05/68/14/962056814.db2.gz YPGYDERCEPFFLB-UHFFFAOYSA-N 0 0 272.348 3.166 20 10 CGCDRN C[C@H]1COc2ccccc2[C@H]1OC(=O)Cc1ccc(N)cc1 ZINC001576862903 962490417 /nfs/dbraw/zinc/49/04/17/962490417.db2.gz XLYCLGKPLNPOQW-SGTLLEGYSA-N 0 0 297.354 3.124 20 10 CGCDRN CCC(=O)Nc1ccc(NCc2ccc(N)cc2)cc1 ZINC001576933139 962499469 /nfs/dbraw/zinc/49/94/69/962499469.db2.gz VVCNYWRQPXHGOE-UHFFFAOYSA-N 0 0 269.348 3.229 20 10 CGCDRN CN1CCCN(Cc2ccc(N)cc2)c2ccccc21 ZINC001578530752 962594973 /nfs/dbraw/zinc/59/49/73/962594973.db2.gz PMFIZKPZXDUFCL-UHFFFAOYSA-N 0 0 267.376 3.115 20 10 CGCDRN Nc1ccc(CNc2cccc(Br)n2)cc1 ZINC001580447204 962722412 /nfs/dbraw/zinc/72/24/12/962722412.db2.gz UHHXUNXGJTXMHK-UHFFFAOYSA-N 0 0 278.153 3.038 20 10 CGCDRN C/C(=C\C(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC001588156370 963253508 /nfs/dbraw/zinc/25/35/08/963253508.db2.gz WYOUUYGIIVCHHN-ZRDIBKRKSA-N 0 0 271.316 3.047 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001591973584 976578145 /nfs/dbraw/zinc/57/81/45/976578145.db2.gz BRFJSVUYTQIWRW-SWLSCSKDSA-N 0 0 291.391 3.058 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594352552 999335136 /nfs/dbraw/zinc/33/51/36/999335136.db2.gz IQPXTYKNBSZHQM-NTZNESFSSA-N 0 0 277.364 3.320 20 10 CGCDRN Cc1coc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000284022568 346420236 /nfs/dbraw/zinc/42/02/36/346420236.db2.gz RPBZPYNEXDEFCF-UHFFFAOYSA-N 0 0 298.386 3.209 20 10 CGCDRN C[C@@H]([NH2+]C1CCSCC1)c1ccc(F)c(F)c1[O-] ZINC000187775161 296115323 /nfs/dbraw/zinc/11/53/23/296115323.db2.gz IFLHAEIGQPRJBB-MRVPVSSYSA-N 0 0 273.348 3.217 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2cc(F)ccc2F)c1 ZINC000124525666 370924694 /nfs/dbraw/zinc/92/46/94/370924694.db2.gz UVPPKQQDTWKQAU-ZZXKWVIFSA-N 0 0 288.297 3.344 20 10 CGCDRN CC(C)[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411874 369219149 /nfs/dbraw/zinc/21/91/49/369219149.db2.gz BQUWGQQQCCQFJA-VIFPVBQESA-N 0 0 272.186 3.289 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@@H]1CCCCO1 ZINC000276965962 296150384 /nfs/dbraw/zinc/15/03/84/296150384.db2.gz SQCATCGYYUENGU-CWSCBRNRSA-N 0 0 285.334 3.279 20 10 CGCDRN Cc1ccc(C(=O)N2CCc3cc(C)c(C)cc32)c(O)c1O ZINC000286896702 371569577 /nfs/dbraw/zinc/56/95/77/371569577.db2.gz JLFFGEDKOUQUCJ-UHFFFAOYSA-N 0 0 297.354 3.226 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000287811073 371707422 /nfs/dbraw/zinc/70/74/22/371707422.db2.gz UROMVMNKQNTMNC-IHRRRGAJSA-N 0 0 283.799 3.390 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000287746015 371700883 /nfs/dbraw/zinc/70/08/83/371700883.db2.gz ZABKQDWDMLYPDU-MFKMUULPSA-N 0 0 269.385 3.325 20 10 CGCDRN CCC[C@@]1([NH2+]Cc2cccc(Cl)c2[O-])CCOC1 ZINC000289752733 371810328 /nfs/dbraw/zinc/81/03/28/371810328.db2.gz QQXXPDBJONAYSY-CQSZACIVSA-N 0 0 269.772 3.094 20 10 CGCDRN CCC[C@@H]1C[C@H]1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000430942281 372408598 /nfs/dbraw/zinc/40/85/98/372408598.db2.gz BOLCMWIOQSVOKB-UKRRQHHQSA-N 0 0 299.418 3.475 20 10 CGCDRN Cc1cccnc1CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294919381 372680331 /nfs/dbraw/zinc/68/03/31/372680331.db2.gz FNXXBDQAMGQHIS-UHFFFAOYSA-N 0 0 290.794 3.471 20 10 CGCDRN CC(C)C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295051555 372688820 /nfs/dbraw/zinc/68/88/20/372688820.db2.gz GRVXXDMUIMRSGD-LLVKDONJSA-N 0 0 295.354 3.135 20 10 CGCDRN CC(C)Cn1cc(N[C@@H]2CCc3cccc(O)c32)cn1 ZINC000296763461 373237693 /nfs/dbraw/zinc/23/76/93/373237693.db2.gz KGKBMONFGMENFE-CQSZACIVSA-N 0 0 271.364 3.344 20 10 CGCDRN CCC1(C(=O)NCc2ccc(N)cc2)CCCCC1 ZINC000297230001 373260028 /nfs/dbraw/zinc/26/00/28/373260028.db2.gz OURDEHHNHROYEI-UHFFFAOYSA-N 0 0 260.381 3.246 20 10 CGCDRN Cc1cc(C)cc(CCC(=O)NCc2ccc(N)cc2)c1 ZINC000297280078 373264101 /nfs/dbraw/zinc/26/41/01/373264101.db2.gz TYTQODMKWJGISZ-UHFFFAOYSA-N 0 0 282.387 3.135 20 10 CGCDRN CCC[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000297447406 373270510 /nfs/dbraw/zinc/27/05/10/373270510.db2.gz WRWZYFPGJQDVKH-UWVGGRQHSA-N 0 0 273.323 3.136 20 10 CGCDRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nccs1 ZINC000299061858 373452840 /nfs/dbraw/zinc/45/28/40/373452840.db2.gz UPYJJKMDJSFVPK-AOOOYVTPSA-N 0 0 270.423 3.025 20 10 CGCDRN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000302403148 373864607 /nfs/dbraw/zinc/86/46/07/373864607.db2.gz LHQUJBSUSSIHCK-NSHDSACASA-N 0 0 286.335 3.229 20 10 CGCDRN C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC000181252304 374098956 /nfs/dbraw/zinc/09/89/56/374098956.db2.gz LPQDIYQMWHJHSM-VFQZCJPISA-N 0 0 289.375 3.006 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+](CCO)Cc1ccccc1 ZINC000183465500 374418252 /nfs/dbraw/zinc/41/82/52/374418252.db2.gz XJEYDZRSYGKXSM-UHFFFAOYSA-N 0 0 291.778 3.040 20 10 CGCDRN CCCN(Cc1c(Cl)cnn1C)Cc1ccccc1O ZINC000187087274 374967914 /nfs/dbraw/zinc/96/79/14/374967914.db2.gz SYAXBPPYGVCHLX-UHFFFAOYSA-N 0 0 293.798 3.191 20 10 CGCDRN CCC(C)(C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472237631 375013153 /nfs/dbraw/zinc/01/31/53/375013153.db2.gz GDPDXOVJIGXVPG-UHFFFAOYSA-N 0 0 287.407 3.475 20 10 CGCDRN CSCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187726402 375081696 /nfs/dbraw/zinc/08/16/96/375081696.db2.gz XUCQNAMFJSMAMG-MRVPVSSYSA-N 0 0 261.337 3.074 20 10 CGCDRN CSC(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187741896 375085001 /nfs/dbraw/zinc/08/50/01/375085001.db2.gz OXFJYIYRJNMYTJ-QMMMGPOBSA-N 0 0 275.364 3.463 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187746021 375085907 /nfs/dbraw/zinc/08/59/07/375085907.db2.gz RQSONLMPEMAUGV-YNZJMPHRSA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187800782 375097990 /nfs/dbraw/zinc/09/79/90/375097990.db2.gz LKPCADGTKKWBOJ-VHSXEESVSA-N 0 0 287.350 3.118 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1cc(C(C)C)ncn1 ZINC000480492332 375159371 /nfs/dbraw/zinc/15/93/71/375159371.db2.gz AHBYSCNETXSMKD-UHFFFAOYSA-N 0 0 294.402 3.434 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)OCC1CC1 ZINC000492747025 375452686 /nfs/dbraw/zinc/45/26/86/375452686.db2.gz KUMNLDWNXBQHBI-UHFFFAOYSA-N 0 0 272.348 3.123 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192850844 375795433 /nfs/dbraw/zinc/79/54/33/375795433.db2.gz IKHGXHWGIYLKLO-SSDOTTSWSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@H]([NH2+]CC1(C)COC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192859736 375796015 /nfs/dbraw/zinc/79/60/15/375796015.db2.gz HADALDOKRZVELS-QMMMGPOBSA-N 0 0 290.190 3.386 20 10 CGCDRN Cc1ccccc1C[C@H](C)C(=O)NCc1ccccc1O ZINC000528855274 375912164 /nfs/dbraw/zinc/91/21/64/375912164.db2.gz QKBHPJIPIHSRNA-AWEZNQCLSA-N 0 0 283.371 3.196 20 10 CGCDRN CCOc1cccc(CCC(=O)NCc2ccccc2O)c1 ZINC000528854799 375912020 /nfs/dbraw/zinc/91/20/20/375912020.db2.gz NLVIYYDXWUBESP-UHFFFAOYSA-N 0 0 299.370 3.040 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000529670353 375933409 /nfs/dbraw/zinc/93/34/09/375933409.db2.gz SNXMUORZNVURMB-LOKDSWTASA-N 0 0 287.762 3.086 20 10 CGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC000237372048 376740839 /nfs/dbraw/zinc/74/08/39/376740839.db2.gz LJNVXRRXZDWRMT-CYBMUJFWSA-N 0 0 280.371 3.352 20 10 CGCDRN Cc1ccc(N)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000261997803 377878736 /nfs/dbraw/zinc/87/87/36/377878736.db2.gz USTBVDQXKLZQBN-UHFFFAOYSA-N 0 0 295.386 3.430 20 10 CGCDRN CCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000267515875 378040795 /nfs/dbraw/zinc/04/07/95/378040795.db2.gz KHDGRWNNOHDNFG-UHFFFAOYSA-N 0 0 286.419 3.434 20 10 CGCDRN C/C=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267593270 378042089 /nfs/dbraw/zinc/04/20/89/378042089.db2.gz QHJDXZZHCRGALD-WLRTZDKTSA-N 0 0 272.392 3.210 20 10 CGCDRN O=C(/C=C/c1cnccn1)N(CC1CCC1)c1ccccc1 ZINC000267678639 378043289 /nfs/dbraw/zinc/04/32/89/378043289.db2.gz BMQDQJGJEASZSO-MDZDMXLPSA-N 0 0 293.370 3.323 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cc(F)ccc1O ZINC000371871064 379180760 /nfs/dbraw/zinc/18/07/60/379180760.db2.gz WWTOWVLTZGIPHQ-XOPPTJLZSA-N 0 0 293.382 3.386 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cc(F)ccc1O ZINC000371871061 379181432 /nfs/dbraw/zinc/18/14/32/379181432.db2.gz WWTOWVLTZGIPHQ-GDJRKYJOSA-N 0 0 293.382 3.386 20 10 CGCDRN Cc1nn(C(C)C)cc1CN(C)c1ccc2c(c1)OCO2 ZINC000281799436 379844909 /nfs/dbraw/zinc/84/49/09/379844909.db2.gz YHFMODVPRCRESM-UHFFFAOYSA-N 0 0 287.363 3.138 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H](C)C2CCCCC2)c(O)c1O ZINC000282468243 379927028 /nfs/dbraw/zinc/92/70/28/379927028.db2.gz KMXMIYXNGBASKC-LBPRGKRZSA-N 0 0 291.391 3.447 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)COC(C)(C)C ZINC000282538286 379940305 /nfs/dbraw/zinc/94/03/05/379940305.db2.gz RFNPYCFQIREVNX-UHFFFAOYSA-N 0 0 293.407 3.336 20 10 CGCDRN Cc1c[nH]nc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000284273339 380137390 /nfs/dbraw/zinc/13/73/90/380137390.db2.gz SMBOLPGTSDQWIM-UHFFFAOYSA-N 0 0 298.434 3.340 20 10 CGCDRN Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000285189193 380144469 /nfs/dbraw/zinc/14/44/69/380144469.db2.gz ROKUEFFMQPKOGL-AWEZNQCLSA-N 0 0 287.363 3.038 20 10 CGCDRN CC[C@@H](Nc1cnn(CC)c1)c1ccc(F)cc1O ZINC000286172556 380171449 /nfs/dbraw/zinc/17/14/49/380171449.db2.gz PYHVGVCICMFHHP-CYBMUJFWSA-N 0 0 263.316 3.311 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000286078836 380159465 /nfs/dbraw/zinc/15/94/65/380159465.db2.gz LLHJSUNBTRVBCZ-ZANVPECISA-N 0 0 263.316 3.056 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3ccno3)cc12 ZINC000643272773 380248983 /nfs/dbraw/zinc/24/89/83/380248983.db2.gz OMKSPPVRHOXRLI-UHFFFAOYSA-N 0 0 256.305 3.362 20 10 CGCDRN Cc1cc(COc2ccc3c(c2)c(C)c(C)n3C)nn1C ZINC000643272776 380249224 /nfs/dbraw/zinc/24/92/24/380249224.db2.gz UKZYVNCTMZPYDH-UHFFFAOYSA-N 0 0 283.375 3.416 20 10 CGCDRN COc1ccc(N(C)CC2CCOCC2)cc1Cl ZINC000121849564 392415687 /nfs/dbraw/zinc/41/56/87/392415687.db2.gz KGOQURRTAVUHCA-UHFFFAOYSA-N 0 0 269.772 3.211 20 10 CGCDRN C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126753143 392444000 /nfs/dbraw/zinc/44/40/00/392444000.db2.gz PSIIVRUCCPCIMX-RHSMWYFYSA-N 0 0 299.418 3.051 20 10 CGCDRN CCCOc1ccc(CN(C)Cc2cscn2)c(O)c1 ZINC000120248183 392400242 /nfs/dbraw/zinc/40/02/42/392400242.db2.gz DTKIWAHOFYOEGC-UHFFFAOYSA-N 0 0 292.404 3.270 20 10 CGCDRN COc1ccc(N(CC[C@@H]2CCOC2=O)C(C)C)cc1F ZINC000120382976 392400494 /nfs/dbraw/zinc/40/04/94/392400494.db2.gz ZFZKOMURVFAVLR-GFCCVEGCSA-N 0 0 295.354 3.002 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287895100 392404501 /nfs/dbraw/zinc/40/45/01/392404501.db2.gz ZGGNRVZXCSSIPL-BXKDBHETSA-N 0 0 257.761 3.121 20 10 CGCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)nc(C)n1 ZINC000301307747 392586854 /nfs/dbraw/zinc/58/68/54/392586854.db2.gz VWYCFNFAADCKLX-UHFFFAOYSA-N 0 0 270.380 3.080 20 10 CGCDRN CCN(Cc1cccs1)C(=O)c1ccc(C)c(O)c1O ZINC000177669303 392665022 /nfs/dbraw/zinc/66/50/22/392665022.db2.gz JJMLNOVERVPMOD-UHFFFAOYSA-N 0 0 291.372 3.130 20 10 CGCDRN Oc1c(F)cccc1CN1CCOC[C@@H]1c1ccccc1 ZINC000374902227 392716295 /nfs/dbraw/zinc/71/62/95/392716295.db2.gz XRGAPDOLIDHWMT-MRXNPFEDSA-N 0 0 287.334 3.105 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1ccoc1 ZINC000348637048 393127701 /nfs/dbraw/zinc/12/77/01/393127701.db2.gz TYCNLOOQKNHPFA-UHFFFAOYSA-N 0 0 296.370 3.329 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ncccc1C ZINC000348704060 393129546 /nfs/dbraw/zinc/12/95/46/393129546.db2.gz FLBLHBGMDIIPAM-UHFFFAOYSA-N 0 0 293.370 3.120 20 10 CGCDRN Cn1cccc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000743060927 572637180 /nfs/dbraw/zinc/63/71/80/572637180.db2.gz BWDSDELMXGAPAX-UHFFFAOYSA-N 0 0 279.796 3.165 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287587636 286910757 /nfs/dbraw/zinc/91/07/57/286910757.db2.gz HTIFYUZCYDODEN-GXFFZTMASA-N 0 0 269.772 3.123 20 10 CGCDRN CN(C(=O)CSc1ccccc1)c1ccc(N)cc1 ZINC000037285501 173092011 /nfs/dbraw/zinc/09/20/11/173092011.db2.gz RCGSHPUUXDBCSZ-UHFFFAOYSA-N 0 0 272.373 3.024 20 10 CGCDRN COc1ccc(N(C)Cc2csc(C)n2)cc1OC ZINC000736619724 572802232 /nfs/dbraw/zinc/80/22/32/572802232.db2.gz GMDSXXKRDKZJMW-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(N)cc1 ZINC000155805738 261108003 /nfs/dbraw/zinc/10/80/03/261108003.db2.gz FNFDKUBNYLSPBE-UHFFFAOYSA-N 0 0 296.414 3.257 20 10 CGCDRN Nc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000160343206 261211538 /nfs/dbraw/zinc/21/15/38/261211538.db2.gz YQMKRWRBXIWDRF-CABCVRRESA-N 0 0 258.365 3.424 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180630157 261868419 /nfs/dbraw/zinc/86/84/19/261868419.db2.gz BABTWMIXUTXOAW-ZJNQMXKESA-N 0 0 277.364 3.196 20 10 CGCDRN CC(C)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000184839527 262030561 /nfs/dbraw/zinc/03/05/61/262030561.db2.gz OAPJIFDKRJBVFV-HOTGVXAUSA-N 0 0 274.408 3.003 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000185162394 262044145 /nfs/dbraw/zinc/04/41/45/262044145.db2.gz ZSMRMEPXKCLCTK-HWPZZCPQSA-N 0 0 293.313 3.055 20 10 CGCDRN Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185501337 262056794 /nfs/dbraw/zinc/05/67/94/262056794.db2.gz NPPUOBAUXDUJSN-UWVGGRQHSA-N 0 0 292.354 3.418 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185644098 262063531 /nfs/dbraw/zinc/06/35/31/262063531.db2.gz QXHACFHGKZDFBT-KNXALSJPSA-N 0 0 281.371 3.123 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1C=CCCC1 ZINC000186412267 262091662 /nfs/dbraw/zinc/09/16/62/262091662.db2.gz BMLNKNHVFFWYIJ-ZDUSSCGKSA-N 0 0 259.349 3.097 20 10 CGCDRN Cc1c(C[NH2+][C@H](C)c2ccc3ccccc3c2O)cnn1C ZINC000186188181 262312478 /nfs/dbraw/zinc/31/24/78/262312478.db2.gz JEUPZGWMAVWWSS-GFCCVEGCSA-N 0 0 295.386 3.438 20 10 CGCDRN CCCCO[C@H](C)C(=O)N(CCC)Cc1ccccc1O ZINC000264085402 262867606 /nfs/dbraw/zinc/86/76/06/262867606.db2.gz MUFPMRJLSJKOBZ-CQSZACIVSA-N 0 0 293.407 3.336 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(CCCO)CC1 ZINC000272918802 263010109 /nfs/dbraw/zinc/01/01/09/263010109.db2.gz JGLLWPJKNUZWEI-UHFFFAOYSA-N 0 0 283.799 3.030 20 10 CGCDRN Cc1cccc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000131214632 264366879 /nfs/dbraw/zinc/36/68/79/264366879.db2.gz LDEXLBAKVLVVOY-UHFFFAOYSA-N 0 0 259.328 3.207 20 10 CGCDRN C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000368141839 267148831 /nfs/dbraw/zinc/14/88/31/267148831.db2.gz HAOAXZBIOIWCFP-BMIGLBTASA-N 0 0 273.307 3.143 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377195034 268055166 /nfs/dbraw/zinc/05/51/66/268055166.db2.gz CLAZEEINUWFCOZ-MNOVXSKESA-N 0 0 299.773 3.043 20 10 CGCDRN CC[C@H]([NH2+]CCC[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287164639 288040744 /nfs/dbraw/zinc/04/07/44/288040744.db2.gz UGJMFKVEECNPPB-GWCFXTLKSA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1nc(COc2ccc(N(C)C)cc2)sc1C ZINC000279477002 279085052 /nfs/dbraw/zinc/08/50/52/279085052.db2.gz NSAHJSPOBYZPMP-UHFFFAOYSA-N 0 0 262.378 3.405 20 10 CGCDRN C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273609602 298446356 /nfs/dbraw/zinc/44/63/56/298446356.db2.gz VINAZSRFBBNTPU-BDAKNGLRSA-N 0 0 292.206 3.368 20 10 CGCDRN CN(C(=O)/C=C/c1cccnc1)c1cc(F)ccc1F ZINC000170746566 327658505 /nfs/dbraw/zinc/65/85/05/327658505.db2.gz DLUBKTSVFULRDC-QPJJXVBHSA-N 0 0 274.270 3.036 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1[O-] ZINC000276939656 328220484 /nfs/dbraw/zinc/22/04/84/328220484.db2.gz PITJATPSTCYGOB-PRHODGIISA-N 0 0 293.317 3.122 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCC1 ZINC000283536444 328244373 /nfs/dbraw/zinc/24/43/73/328244373.db2.gz CLIXCOVGBLXYBG-UHFFFAOYSA-N 0 0 276.380 3.256 20 10 CGCDRN CCc1ncnc(NCc2c(C)c3ccccc3n2C)c1F ZINC000359842527 328899879 /nfs/dbraw/zinc/89/98/79/328899879.db2.gz LROOYYOBNLWJPM-UHFFFAOYSA-N 0 0 298.365 3.012 20 10 CGCDRN Clc1ccc(C2=CCN(c3ccccn3)CC2)cn1 ZINC000378404249 329049175 /nfs/dbraw/zinc/04/91/75/329049175.db2.gz OUPFRCDFHALXKF-UHFFFAOYSA-N 0 0 271.751 3.424 20 10 CGCDRN CC[C@@H]([NH2+]CC12CC(C1)CO2)c1cccc(Cl)c1[O-] ZINC000527981314 330298294 /nfs/dbraw/zinc/29/82/94/330298294.db2.gz PNSDUDVWJICLQG-VROQLPPWSA-N 0 0 281.783 3.265 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(F)cc1[O-] ZINC000528001682 330300127 /nfs/dbraw/zinc/30/01/27/330300127.db2.gz MQMJRSFNTDELAS-SWLSCSKDSA-N 0 0 292.398 3.199 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)C[C@H]1C ZINC000472286987 331534885 /nfs/dbraw/zinc/53/48/85/331534885.db2.gz YGNZXEDPQQAWJJ-CHWSQXEVSA-N 0 0 299.418 3.427 20 10 CGCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1 ZINC000490551446 332091392 /nfs/dbraw/zinc/09/13/92/332091392.db2.gz HDTNDARYFXLSAK-QXMHVHEDSA-N 0 0 289.338 3.306 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C/c1ccc[nH]1 ZINC000491961862 332377407 /nfs/dbraw/zinc/37/74/07/332377407.db2.gz JWLIXONQUOPMMN-MDZDMXLPSA-N 0 0 293.370 3.144 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccccc1Cl ZINC000492777595 332413176 /nfs/dbraw/zinc/41/31/76/332413176.db2.gz PINGDZVAEPQYLF-BQYQJAHWSA-N 0 0 287.750 3.196 20 10 CGCDRN CCCOc1cncc(NCc2cc(F)ccc2O)c1 ZINC000529651821 333503974 /nfs/dbraw/zinc/50/39/74/333503974.db2.gz LIPQLNDXMLBFIV-UHFFFAOYSA-N 0 0 276.311 3.327 20 10 CGCDRN C[C@H](CCO)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000295121648 334902297 /nfs/dbraw/zinc/90/22/97/334902297.db2.gz NGTNJESTNVPVEJ-VIFPVBQESA-N 0 0 292.206 3.197 20 10 CGCDRN C/C=C(\CC)C(=O)N(CCC)Cc1ccccc1O ZINC000276592375 518492354 /nfs/dbraw/zinc/49/23/54/518492354.db2.gz WSFSTGPWOVNFEC-WLRTZDKTSA-N 0 0 261.365 3.487 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cnc3cnccn23)cc1 ZINC000277471408 519780248 /nfs/dbraw/zinc/78/02/48/519780248.db2.gz MBGNWCSLJGDVKG-UHFFFAOYSA-N 0 0 296.374 3.153 20 10 CGCDRN CC(C)c1[nH]ccc1C(=O)N(C)Cc1ccccc1O ZINC000285589462 519830348 /nfs/dbraw/zinc/83/03/48/519830348.db2.gz HTOCILICNVQHOK-UHFFFAOYSA-N 0 0 272.348 3.116 20 10 CGCDRN CCOc1ccc(N(CC)Cc2noc(CC)n2)cc1 ZINC000264720562 521027715 /nfs/dbraw/zinc/02/77/15/521027715.db2.gz OZTQCGZTNJUSHP-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN CCCc1nc(CN(CC)c2ccc(OC)cc2)no1 ZINC000299406838 521504230 /nfs/dbraw/zinc/50/42/30/521504230.db2.gz YCHVCZCYQIXUPQ-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN CCCN(CC1CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031729090 521620877 /nfs/dbraw/zinc/62/08/77/521620877.db2.gz BGGPDRBKLIXRHE-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN 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Cc1cc(N(C)C)ccc1CNc1ccc(F)nc1 ZINC000840878073 618777250 /nfs/dbraw/zinc/77/72/50/618777250.db2.gz ADJUQVOKIIUEFH-UHFFFAOYSA-N 0 0 259.328 3.207 20 10 CGCDRN Clc1nccnc1NCCCSc1nccs1 ZINC000892515446 618837932 /nfs/dbraw/zinc/83/79/32/618837932.db2.gz RIEOCKHEMLLJIV-UHFFFAOYSA-N 0 0 286.813 3.181 20 10 CGCDRN CC[C@@H](C)N(C)C(=O)NCCCSc1nccs1 ZINC000177852124 618846076 /nfs/dbraw/zinc/84/60/76/618846076.db2.gz REJXTAPDBIXTNL-SNVBAGLBSA-N 0 0 287.454 3.065 20 10 CGCDRN CN(C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000177851795 618846112 /nfs/dbraw/zinc/84/61/12/618846112.db2.gz HHYKVGHYFNQFRG-UHFFFAOYSA-N 0 0 299.465 3.209 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(c2)OCO3)cc1 ZINC000000570904 618860387 /nfs/dbraw/zinc/86/03/87/618860387.db2.gz IFOBURARIQWYCH-UHFFFAOYSA-N 0 0 270.332 3.093 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccon2)cc1F ZINC000167806485 618910180 /nfs/dbraw/zinc/91/01/80/618910180.db2.gz DTBNSWJQRABSFD-UHFFFAOYSA-N 0 0 263.316 3.272 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc2c(c1)COC2 ZINC000311799677 618917387 /nfs/dbraw/zinc/91/73/87/618917387.db2.gz BPKCARUGUHSTKN-UHFFFAOYSA-N 0 0 259.280 3.174 20 10 CGCDRN COCCOc1ccc(Sc2nccs2)cc1 ZINC000893231226 619036483 /nfs/dbraw/zinc/03/64/83/619036483.db2.gz FGXIJQVGAOHACV-UHFFFAOYSA-N 0 0 267.375 3.320 20 10 CGCDRN CC[C@@H]([NH2+]Cc1nccn1CC(C)C)c1ccccc1O ZINC000185212545 619058884 /nfs/dbraw/zinc/05/88/84/619058884.db2.gz YFCFURPOAPIACQ-OAHLLOKOSA-N 0 0 287.407 3.486 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C#N)c(F)c2)cc1F ZINC000192069595 619115761 /nfs/dbraw/zinc/11/57/61/619115761.db2.gz KPPXMDUQSNUURD-UHFFFAOYSA-N 0 0 288.297 3.481 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC000776229807 619118146 /nfs/dbraw/zinc/11/81/46/619118146.db2.gz DJRFKYWSWHDKRE-NWDGAFQWSA-N 0 0 287.762 3.088 20 10 CGCDRN O=C(N[C@H]1CCCCC12CCCC2)c1cccc(O)c1O ZINC000314092562 619214917 /nfs/dbraw/zinc/21/49/17/619214917.db2.gz GAVOCZHCMMQDDS-AWEZNQCLSA-N 0 0 289.375 3.331 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CS1 ZINC000840959828 619278342 /nfs/dbraw/zinc/27/83/42/619278342.db2.gz ZQRTZQJBBPWNQC-SFYZADRCSA-N 0 0 275.776 3.168 20 10 CGCDRN O=C(NCCC1=CCCC1)NCc1cccc(Cl)c1O ZINC000893816833 619319470 /nfs/dbraw/zinc/31/94/70/619319470.db2.gz BNHIIEDWADRILH-UHFFFAOYSA-N 0 0 294.782 3.345 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000893948011 619338741 /nfs/dbraw/zinc/33/87/41/619338741.db2.gz PODMFKRUEZLMLL-HNNXBMFYSA-N 0 0 290.313 3.403 20 10 CGCDRN CC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000894790364 619632322 /nfs/dbraw/zinc/63/23/22/619632322.db2.gz RUICIGULFMGIIQ-ZDUSSCGKSA-N 0 0 299.361 3.450 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)nc1 ZINC000049209772 619711542 /nfs/dbraw/zinc/71/15/42/619711542.db2.gz ZQRQQMYFDVJLFO-UHFFFAOYSA-N 0 0 291.738 3.105 20 10 CGCDRN CCO[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C1(CC)CC ZINC000749545727 619738118 /nfs/dbraw/zinc/73/81/18/619738118.db2.gz WBMJXXPFMFSNBM-QWHCGFSZSA-N 0 0 297.420 3.167 20 10 CGCDRN COc1cc(C)cc(CNc2ncccc2SC)c1O ZINC000895140047 619750396 /nfs/dbraw/zinc/75/03/96/619750396.db2.gz NSFOTLDOHXTKCR-UHFFFAOYSA-N 0 0 290.388 3.438 20 10 CGCDRN CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185527900 625369982 /nfs/dbraw/zinc/36/99/82/625369982.db2.gz OPUXDWUKNPKDCE-MLGOLLRUSA-N 0 0 283.387 3.369 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000895193364 619776244 /nfs/dbraw/zinc/77/62/44/619776244.db2.gz WPDYURPUQMLOLQ-ZANVPECISA-N 0 0 253.292 3.045 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000895375673 619817412 /nfs/dbraw/zinc/81/74/12/619817412.db2.gz CRYLHTUIUYUOCW-UHFFFAOYSA-N 0 0 295.354 3.406 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000895457487 619832757 /nfs/dbraw/zinc/83/27/57/619832757.db2.gz NNQDLGNBOCWOMU-PHIMTYICSA-N 0 0 265.303 3.068 20 10 CGCDRN CCC(CC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895479040 619836193 /nfs/dbraw/zinc/83/61/93/619836193.db2.gz DMZBCCDCWKXKQN-UHFFFAOYSA-N 0 0 279.361 3.231 20 10 CGCDRN CCCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895527417 619842214 /nfs/dbraw/zinc/84/22/14/619842214.db2.gz YZVFTGCEJKVBSD-UHFFFAOYSA-N 0 0 279.361 3.185 20 10 CGCDRN CC[C@H](NC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000895806991 619889261 /nfs/dbraw/zinc/88/92/61/619889261.db2.gz HTKBHMWWPJEJCR-LBPRGKRZSA-N 0 0 282.771 3.033 20 10 CGCDRN CN(CC(C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896094108 619948628 /nfs/dbraw/zinc/94/86/28/619948628.db2.gz HIGLWPAYBYCHSS-UHFFFAOYSA-N 0 0 293.388 3.431 20 10 CGCDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000896403489 620001987 /nfs/dbraw/zinc/00/19/87/620001987.db2.gz IRANTTHCTDHEKV-GMTLJSCSSA-N 0 0 251.757 3.180 20 10 CGCDRN CCOc1cc(F)cc(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896644573 620040672 /nfs/dbraw/zinc/04/06/72/620040672.db2.gz XPHWLNBMUKZZFF-UHFFFAOYSA-N 0 0 293.313 3.359 20 10 CGCDRN CC(C)c1ncc(C[NH2+]Cc2c([O-])cccc2F)s1 ZINC000896640620 620041783 /nfs/dbraw/zinc/04/17/83/620041783.db2.gz KCIDPTJLWMKGKO-UHFFFAOYSA-N 0 0 280.368 3.401 20 10 CGCDRN CN(C)c1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1F ZINC000896641095 620042150 /nfs/dbraw/zinc/04/21/50/620042150.db2.gz PFNGBSLQEBJYEL-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCCO1 ZINC000896924642 620103490 /nfs/dbraw/zinc/10/34/90/620103490.db2.gz OEBYXSRFSHUJQG-CQSZACIVSA-N 0 0 269.772 3.094 20 10 CGCDRN COc1cc(Cl)cc(CNc2cnn(C(C)C)c2)c1O ZINC000228677383 620269163 /nfs/dbraw/zinc/26/91/63/620269163.db2.gz WNFGYNGSZUBNTK-UHFFFAOYSA-N 0 0 295.770 3.444 20 10 CGCDRN Cc1cc(C(=O)N2CC(F)C2)c(C)n1-c1ccc(F)cc1 ZINC000753072265 620305034 /nfs/dbraw/zinc/30/50/34/620305034.db2.gz YXEUNASAPZHYIL-UHFFFAOYSA-N 0 0 290.313 3.027 20 10 CGCDRN CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841747476 620353367 /nfs/dbraw/zinc/35/33/67/620353367.db2.gz BMEXPNLQSDGFMK-NHYWBVRUSA-N 0 0 297.826 3.493 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCOCC1 ZINC000310956157 620354602 /nfs/dbraw/zinc/35/46/02/620354602.db2.gz NETGTTJLKNTPQI-NSHDSACASA-N 0 0 290.190 3.358 20 10 CGCDRN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])[nH]n1 ZINC000841752303 620376405 /nfs/dbraw/zinc/37/64/05/620376405.db2.gz SJUMCOKQHAKFRT-MWLCHTKSSA-N 0 0 293.798 3.359 20 10 CGCDRN CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000897800335 620434909 /nfs/dbraw/zinc/43/49/09/620434909.db2.gz PQZQILYTFWZDSK-LLVKDONJSA-N 0 0 296.392 3.064 20 10 CGCDRN CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c(O)c1 ZINC000897952696 620453890 /nfs/dbraw/zinc/45/38/90/620453890.db2.gz IWCLGMBJCBXYHJ-TUKIKUTGSA-N 0 0 261.365 3.069 20 10 CGCDRN CC1(C)CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])O1 ZINC000898046089 620463386 /nfs/dbraw/zinc/46/33/86/620463386.db2.gz BYRSFEIBOKWCAN-LBPRGKRZSA-N 0 0 285.334 3.108 20 10 CGCDRN COc1cncc(C[NH2+]Cc2cccc(Cl)c2[O-])c1C ZINC000898216540 620488696 /nfs/dbraw/zinc/48/86/96/620488696.db2.gz YMHFXEIHMQMVFV-UHFFFAOYSA-N 0 0 292.766 3.047 20 10 CGCDRN CC[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000898218356 620488976 /nfs/dbraw/zinc/48/89/76/620488976.db2.gz FRCLUPJRMOKOGE-AAEUAGOBSA-N 0 0 283.799 3.340 20 10 CGCDRN CCOC(=O)CC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218555 620489412 /nfs/dbraw/zinc/48/94/12/620489412.db2.gz JYKYERBSNASZGQ-UHFFFAOYSA-N 0 0 299.798 3.115 20 10 CGCDRN COc1ccc(NCc2cc(C)c(C)cc2O)cc1N ZINC000841040911 620519829 /nfs/dbraw/zinc/51/98/29/620519829.db2.gz WDCCDLDTKQUGIF-UHFFFAOYSA-N 0 0 272.348 3.212 20 10 CGCDRN C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000249050529 620547723 /nfs/dbraw/zinc/54/77/23/620547723.db2.gz JCLSTNAQDAFEBJ-RYUDHWBXSA-N 0 0 293.407 3.005 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)NCc2csc(N)n2)cc1 ZINC000902488259 621355281 /nfs/dbraw/zinc/35/52/81/621355281.db2.gz GPLRCMZQJZAFTD-LLVKDONJSA-N 0 0 290.436 3.032 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903316322 621686588 /nfs/dbraw/zinc/68/65/88/621686588.db2.gz DJGYRCUWBQKNLX-RKDXNWHRSA-N 0 0 289.206 3.054 20 10 CGCDRN C[C@@H](N[C@H](c1ncccn1)C1CC1)c1cc(F)ccc1O ZINC000903327749 621701161 /nfs/dbraw/zinc/70/11/61/621701161.db2.gz YFOGBQACXZWURW-BMIGLBTASA-N 0 0 287.338 3.123 20 10 CGCDRN C/C(=C\c1ccc(N(C)C)cc1C)c1ncccn1 ZINC000905076953 622037703 /nfs/dbraw/zinc/03/77/03/622037703.db2.gz OTMYSPZWWNBJCF-JLHYYAGUSA-N 0 0 253.349 3.412 20 10 CGCDRN CCCCN(C)CC[NH2+][C@H](CC)c1ccccc1O ZINC000155798789 622489825 /nfs/dbraw/zinc/48/98/25/622489825.db2.gz CMJNLIFTLMNANM-OAHLLOKOSA-N 0 0 264.413 3.165 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccc(O)cc1O)C(C)(C)C ZINC000910954926 622509858 /nfs/dbraw/zinc/50/98/58/622509858.db2.gz AZGCPNJLMLOJIQ-LBPRGKRZSA-N 0 0 279.380 3.176 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)C1(C2CCCCC2)CC1 ZINC000910959084 622510277 /nfs/dbraw/zinc/51/02/77/622510277.db2.gz YKPHNFGPMSQIMT-UHFFFAOYSA-N 0 0 289.375 3.075 20 10 CGCDRN CCOc1ccc(N(C)Cc2c(C)noc2C)cc1 ZINC000150730662 622657134 /nfs/dbraw/zinc/65/71/34/622657134.db2.gz TUPZXCPCVBDKKA-UHFFFAOYSA-N 0 0 260.337 3.327 20 10 CGCDRN CCOc1ccc(O)c(CNc2cccc(OCC)n2)c1 ZINC000150997498 622713938 /nfs/dbraw/zinc/71/39/38/622713938.db2.gz GALUATXWKJGNDW-UHFFFAOYSA-N 0 0 288.347 3.197 20 10 CGCDRN Oc1c(Cl)cccc1CNc1ccc(F)nc1 ZINC000226664644 622993972 /nfs/dbraw/zinc/99/39/72/622993972.db2.gz NLEAIFGDTABHAQ-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(F)c2)cc1 ZINC000060678492 623059892 /nfs/dbraw/zinc/05/98/92/623059892.db2.gz RNRCSOREXPIRBN-UHFFFAOYSA-N 0 0 286.350 3.164 20 10 CGCDRN COCCN(Cc1cccs1)c1ccc(OC)cc1 ZINC000170723923 623092345 /nfs/dbraw/zinc/09/23/45/623092345.db2.gz DESKNAXXFUVZEI-UHFFFAOYSA-N 0 0 277.389 3.410 20 10 CGCDRN C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(F)cc1[O-] ZINC000062744960 623265269 /nfs/dbraw/zinc/26/52/69/623265269.db2.gz NKHJLCFUBCNQBV-ZDUSSCGKSA-N 0 0 294.414 3.446 20 10 CGCDRN COc1ccc(CNCc2ncc(C)s2)cc1C ZINC000230687166 623265324 /nfs/dbraw/zinc/26/53/24/623265324.db2.gz IGLAYSLXOFVLEI-UHFFFAOYSA-N 0 0 262.378 3.058 20 10 CGCDRN C/C(=C(/F)C(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000913763370 623576817 /nfs/dbraw/zinc/57/68/17/623576817.db2.gz DTHVXPSLOSRNJS-AHEVQNHNSA-N 0 0 263.312 3.223 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H]1C ZINC000914165935 623684566 /nfs/dbraw/zinc/68/45/66/623684566.db2.gz RVNNRMIVCFYTNT-LBPRGKRZSA-N 0 0 296.370 3.141 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CCCc2ccccc2)cc1 ZINC000915595927 624011620 /nfs/dbraw/zinc/01/16/20/624011620.db2.gz PKOWCQQBLSMHFX-UHFFFAOYSA-N 0 0 296.414 3.392 20 10 CGCDRN CN(C)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000916667931 624202662 /nfs/dbraw/zinc/20/26/62/624202662.db2.gz QGIULSAZRCBXTJ-UHFFFAOYSA-N 0 0 299.374 3.122 20 10 CGCDRN COC(=O)c1sccc1CSc1nccs1 ZINC000154614391 624328204 /nfs/dbraw/zinc/32/82/04/624328204.db2.gz YKRHZYOPRIUXGN-UHFFFAOYSA-N 0 0 271.388 3.284 20 10 CGCDRN Cc1c[nH]cc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000918657422 624366272 /nfs/dbraw/zinc/36/62/72/624366272.db2.gz CHDVMQDWCRRZHN-UHFFFAOYSA-N 0 0 299.418 3.440 20 10 CGCDRN COc1ccc(C(=O)CSc2nccs2)cc1OC ZINC000919677052 624416559 /nfs/dbraw/zinc/41/65/59/624416559.db2.gz YCOGSOFTOXGHJN-UHFFFAOYSA-N 0 0 295.385 3.135 20 10 CGCDRN CC(C)CCSCC(=O)N(C)Cc1ccccc1O ZINC000919967547 624436011 /nfs/dbraw/zinc/43/60/11/624436011.db2.gz ZVFVTIUCXUMXCH-UHFFFAOYSA-N 0 0 281.421 3.130 20 10 CGCDRN O=C1N[C@H](c2cc(F)ccc2O)Nc2ccc(Cl)cc21 ZINC000920406546 624491263 /nfs/dbraw/zinc/49/12/63/624491263.db2.gz SCMHJZYVMALJRQ-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN COc1ccc(N(C)Cc2cccs2)cc1OC ZINC000920418573 624492339 /nfs/dbraw/zinc/49/23/39/624492339.db2.gz MKAOHCRKVHYFBC-UHFFFAOYSA-N 0 0 263.362 3.402 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(F)c1Cl ZINC000175503509 624641331 /nfs/dbraw/zinc/64/13/31/624641331.db2.gz KMWJMSFPECKLQU-UHFFFAOYSA-N 0 0 293.725 3.457 20 10 CGCDRN Nc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000237858150 624692970 /nfs/dbraw/zinc/69/29/70/624692970.db2.gz GWWQYMVAQYUQNZ-UHFFFAOYSA-N 0 0 294.276 3.469 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(C)c2O)cc1F ZINC000180772909 624771264 /nfs/dbraw/zinc/77/12/64/624771264.db2.gz SZHFXRQJPISUOK-UHFFFAOYSA-N 0 0 275.323 3.485 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180911958 624781070 /nfs/dbraw/zinc/78/10/70/624781070.db2.gz UNVRLLGDDJLNPX-BCRSCGJKSA-N 0 0 297.354 3.297 20 10 CGCDRN C[C@H](Nc1cnn(CC2CC2)c1)c1ccccc1O ZINC000183668453 625103687 /nfs/dbraw/zinc/10/36/87/625103687.db2.gz NBEGVQAJBRTXDL-NSHDSACASA-N 0 0 257.337 3.172 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000922813806 626048634 /nfs/dbraw/zinc/04/86/34/626048634.db2.gz USDWLUUOJHEEJH-ZDUSSCGKSA-N 0 0 297.345 3.252 20 10 CGCDRN CCCN(CCC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873732414 634474255 /nfs/dbraw/zinc/47/42/55/634474255.db2.gz WBTLYGXQXWMIAG-UHFFFAOYSA-N 0 0 276.340 3.111 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c(n2)CCC3)cc1F ZINC000839003792 626295985 /nfs/dbraw/zinc/29/59/85/626295985.db2.gz GTVSTKLZKGDAEK-UHFFFAOYSA-N 0 0 286.350 3.354 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c(n2)CCC3)cc1OC ZINC000839011504 626297795 /nfs/dbraw/zinc/29/77/95/626297795.db2.gz MADMEUHJCLUQTE-UHFFFAOYSA-N 0 0 298.386 3.224 20 10 CGCDRN Cc1cc(Cl)cc(CN2CC(C(F)F)C2)c1O ZINC000839140852 626323184 /nfs/dbraw/zinc/32/31/84/626323184.db2.gz JKOSBYHQABMBMW-UHFFFAOYSA-N 0 0 261.699 3.051 20 10 CGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C12CCC2 ZINC000839182618 626326324 /nfs/dbraw/zinc/32/63/24/626326324.db2.gz ODXFHBBILPESPN-OLZOCXBDSA-N 0 0 299.773 3.232 20 10 CGCDRN CCOC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000788984324 626357903 /nfs/dbraw/zinc/35/79/03/626357903.db2.gz KOVWYBYLBPXLCK-YGRLFVJLSA-N 0 0 287.350 3.382 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000751361387 626385998 /nfs/dbraw/zinc/38/59/98/626385998.db2.gz RXMXJMQDGPWLLF-IRXDYDNUSA-N 0 0 286.419 3.147 20 10 CGCDRN CN1CCc2cc(/C=C3/C(=O)Nc4ccc(F)cc43)ccc21 ZINC000751542823 626395714 /nfs/dbraw/zinc/39/57/14/626395714.db2.gz MGMCHLUKSICUMT-OQLLNIDSSA-N 0 0 294.329 3.311 20 10 CGCDRN CC[C@@H](C)CCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000752597628 626433946 /nfs/dbraw/zinc/43/39/46/626433946.db2.gz YMWJQMZJYUEMMC-CYBMUJFWSA-N 0 0 293.407 3.363 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(OC)cc1 ZINC000754071664 626474340 /nfs/dbraw/zinc/47/43/40/626474340.db2.gz SYHZBZRHEDYBQF-GHXNOFRVSA-N 0 0 296.370 3.465 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC000756355652 626695339 /nfs/dbraw/zinc/69/53/39/626695339.db2.gz QFIJFJGBLIUYOA-ZJUUUORDSA-N 0 0 278.302 3.477 20 10 CGCDRN Cc1csc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756383300 626699378 /nfs/dbraw/zinc/69/93/78/626699378.db2.gz XJPVVRCMTWXWGY-QMMMGPOBSA-N 0 0 284.331 3.286 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000756595087 626719420 /nfs/dbraw/zinc/71/94/20/626719420.db2.gz TUSYQDKQIRKBKU-RYUDHWBXSA-N 0 0 279.380 3.122 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cc(F)cc(F)c1[O-] ZINC000756611372 626720329 /nfs/dbraw/zinc/72/03/29/626720329.db2.gz VRTHEHHFYKKZLQ-DSLLTWJKSA-N 0 0 297.345 3.135 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756619724 626721428 /nfs/dbraw/zinc/72/14/28/626721428.db2.gz XYLIJSOTJYPPCJ-MNOVXSKESA-N 0 0 287.350 3.120 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756637014 626722613 /nfs/dbraw/zinc/72/26/13/626722613.db2.gz YTOSZGXEBDRJNJ-NEPJUHHUSA-N 0 0 274.339 3.208 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000756769808 626730892 /nfs/dbraw/zinc/73/08/92/626730892.db2.gz NRUZVUWJIBRUNM-WDEREUQCSA-N 0 0 277.364 3.018 20 10 CGCDRN Cc1c(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cnn1C ZINC000756876277 626738933 /nfs/dbraw/zinc/73/89/33/626738933.db2.gz ZVVVXDHZRIWBED-KWQFWETISA-N 0 0 275.327 3.234 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000839542606 626760967 /nfs/dbraw/zinc/76/09/67/626760967.db2.gz UEKKVWVPDLRMLN-CRAIPNDOSA-N 0 0 299.345 3.236 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CC(C)(C)COC ZINC000839623027 626767832 /nfs/dbraw/zinc/76/78/32/626767832.db2.gz WCKGBAIVESBKBS-UHFFFAOYSA-N 0 0 293.407 3.194 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CCC(C)(C)OC)CCC2 ZINC000839657032 626770849 /nfs/dbraw/zinc/77/08/49/626770849.db2.gz YSYIMTHQIWQULM-UHFFFAOYSA-N 0 0 293.407 3.272 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CCCSC)CCC2 ZINC000839656485 626770869 /nfs/dbraw/zinc/77/08/69/626770869.db2.gz NHAOQVZTFOBWSA-UHFFFAOYSA-N 0 0 281.421 3.210 20 10 CGCDRN COc1ccc(CN(C)c2ccc(OC)c(Cl)c2)cn1 ZINC000757855742 626810834 /nfs/dbraw/zinc/81/08/34/626810834.db2.gz HXRCDUWKZQJVHC-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)c1nc(C)cc(C)n1 ZINC000758185515 626832392 /nfs/dbraw/zinc/83/23/92/626832392.db2.gz SVWHFNPGHIDZHB-UHFFFAOYSA-N 0 0 284.407 3.186 20 10 CGCDRN CCC[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000758312421 626837055 /nfs/dbraw/zinc/83/70/55/626837055.db2.gz IYHNLTICNMSNQY-SNVBAGLBSA-N 0 0 253.367 3.106 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnc2ccccn12 ZINC000759333152 626888228 /nfs/dbraw/zinc/88/82/28/626888228.db2.gz VCJNCCYAMUTKFT-UHFFFAOYSA-N 0 0 293.370 3.296 20 10 CGCDRN CN(Cc1ccccc1O)c1ncnc2ccsc21 ZINC000760261814 626950279 /nfs/dbraw/zinc/95/02/79/626950279.db2.gz DQGTYLRFKGARAW-UHFFFAOYSA-N 0 0 271.345 3.033 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)C2(C)CC2)C2CC2)cc1 ZINC000760339217 626960988 /nfs/dbraw/zinc/96/09/88/626960988.db2.gz SKPXUOMFPLQXEY-UHFFFAOYSA-N 0 0 272.392 3.044 20 10 CGCDRN Cc1ccc(C)c(CN(C)C(=O)C2=CC(=O)CS2)c1 ZINC000760913613 627001878 /nfs/dbraw/zinc/00/18/78/627001878.db2.gz KTWWRRMNLQXLHH-UHFFFAOYSA-N 0 0 275.373 3.343 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1cccnc1 ZINC000761749830 627059235 /nfs/dbraw/zinc/05/92/35/627059235.db2.gz HWUNPAAUYOLSAE-MDZDMXLPSA-N 0 0 296.370 3.239 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1sccc1[N+](=O)[O-] ZINC000762800939 627124880 /nfs/dbraw/zinc/12/48/80/627124880.db2.gz ZHZAXYNAOARNAC-MRVPVSSYSA-N 0 0 294.332 3.111 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccccc21 ZINC000762799820 627124977 /nfs/dbraw/zinc/12/49/77/627124977.db2.gz CFVOTRRWXGGDDK-LLVKDONJSA-N 0 0 295.342 3.084 20 10 CGCDRN CCC/C(C)=C/C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000762807402 627125322 /nfs/dbraw/zinc/12/53/22/627125322.db2.gz YNQRCUDDMGPTMU-ZKQHCESOSA-N 0 0 277.364 3.324 20 10 CGCDRN C[C@@H](NC(=O)c1ccoc1Cl)c1ccc(N(C)C)cc1 ZINC000764885941 627231690 /nfs/dbraw/zinc/23/16/90/627231690.db2.gz NWLFKXDKMZEDOO-SNVBAGLBSA-N 0 0 292.766 3.490 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCc1cccnc1 ZINC000766270174 627309135 /nfs/dbraw/zinc/30/91/35/627309135.db2.gz RDWKURCBBBAXJR-UHFFFAOYSA-N 0 0 282.387 3.476 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ns1 ZINC000766909940 627370109 /nfs/dbraw/zinc/37/01/09/627370109.db2.gz JHYVMOFCJRQUIK-NSHDSACASA-N 0 0 289.404 3.009 20 10 CGCDRN C[C@@H](Nc1nnc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000767333698 627399142 /nfs/dbraw/zinc/39/91/42/627399142.db2.gz XIIDPPOCUMFGRN-SNVBAGLBSA-N 0 0 272.352 3.186 20 10 CGCDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000768256442 627470558 /nfs/dbraw/zinc/47/05/58/627470558.db2.gz KDZRGWBCNCYIGI-QWHCGFSZSA-N 0 0 297.420 3.119 20 10 CGCDRN CCOc1ccc(C[N@H+](CC)CC(C)C)c(O)c1 ZINC000768334330 627473357 /nfs/dbraw/zinc/47/33/57/627473357.db2.gz FLWFWZBYDNURSX-UHFFFAOYSA-N 0 0 251.370 3.269 20 10 CGCDRN O=C(C/C=C\c1cccc(F)c1)NCc1ccccc1O ZINC000769366186 627545582 /nfs/dbraw/zinc/54/55/82/627545582.db2.gz VELRDPUGSVYWGX-XQRVVYSFSA-N 0 0 285.318 3.251 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]1C ZINC000769370716 627546019 /nfs/dbraw/zinc/54/60/19/627546019.db2.gz UBMUGOKUGPMXCI-BBRMVZONSA-N 0 0 274.408 3.146 20 10 CGCDRN CC[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770304244 627612758 /nfs/dbraw/zinc/61/27/58/627612758.db2.gz LBYFRZOAWNAJBY-VIFPVBQESA-N 0 0 284.743 3.186 20 10 CGCDRN CC(C)OC1CC([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000770675423 627636716 /nfs/dbraw/zinc/63/67/16/627636716.db2.gz FPDPXLJRKPNLMG-UHFFFAOYSA-N 0 0 269.772 3.091 20 10 CGCDRN CCC1(O)CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000771875316 627738840 /nfs/dbraw/zinc/73/88/40/627738840.db2.gz QTWFDEUKBONVHK-UHFFFAOYSA-N 0 0 283.799 3.219 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(C)C)cc1 ZINC000771931746 627746260 /nfs/dbraw/zinc/74/62/60/627746260.db2.gz TXWLNVOENYUPPD-SJORKVTESA-N 0 0 288.435 3.441 20 10 CGCDRN CCCN(C(=O)/C=C\c1cncc(C)c1)c1cccnc1 ZINC000772165429 627770117 /nfs/dbraw/zinc/77/01/17/627770117.db2.gz ZIHYLZXHMRPWGH-SREVYHEPSA-N 0 0 281.359 3.241 20 10 CGCDRN COc1cc(C)nc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772294601 627782158 /nfs/dbraw/zinc/78/21/58/627782158.db2.gz BLYWUWVZVAJAIO-GFCCVEGCSA-N 0 0 286.379 3.033 20 10 CGCDRN Cc1ccccc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000772767759 627820249 /nfs/dbraw/zinc/82/02/49/627820249.db2.gz HBZGHCAEKYEJBB-VQHVLOKHSA-N 0 0 284.311 3.163 20 10 CGCDRN Cc1cc(CN[C@@H](C)c2cscn2)ccc1N(C)C ZINC000772999567 627839661 /nfs/dbraw/zinc/83/96/61/627839661.db2.gz MQCVRAMWRPRDHA-LBPRGKRZSA-N 0 0 275.421 3.368 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000773000152 627840200 /nfs/dbraw/zinc/84/02/00/627840200.db2.gz NPARAAWLCXGMHH-UKRRQHHQSA-N 0 0 272.392 3.286 20 10 CGCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773010967 627842253 /nfs/dbraw/zinc/84/22/53/627842253.db2.gz UTOLHOPXWRGZFI-HNNXBMFYSA-N 0 0 296.414 3.481 20 10 CGCDRN C[C@@H](NC(=O)CCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773021833 627843725 /nfs/dbraw/zinc/84/37/25/627843725.db2.gz TXWSQPBPZNAKKB-SNVBAGLBSA-N 0 0 288.313 3.272 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2CCCOC(C)(C)C ZINC000774750227 628023636 /nfs/dbraw/zinc/02/36/36/628023636.db2.gz BWJQBDZUFRYENJ-UHFFFAOYSA-N 0 0 292.423 3.157 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1O ZINC000775404365 628091666 /nfs/dbraw/zinc/09/16/66/628091666.db2.gz WHVWZQQMXJKBLE-CYBMUJFWSA-N 0 0 298.386 3.258 20 10 CGCDRN CC[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccccc1O ZINC000775544292 628104926 /nfs/dbraw/zinc/10/49/26/628104926.db2.gz BJTPUWVUVYMIFN-INIZCTEOSA-N 0 0 296.370 3.241 20 10 CGCDRN CCc1nc(CN(C)Cc2cccc(C)c2O)cs1 ZINC000775663718 628121969 /nfs/dbraw/zinc/12/19/69/628121969.db2.gz OARWFEKBCCMHTJ-UHFFFAOYSA-N 0 0 276.405 3.352 20 10 CGCDRN CCCCOC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835679 628141130 /nfs/dbraw/zinc/14/11/30/628141130.db2.gz HSYSDNCJOVPQAX-ZIAGYGMSSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@@H](NC(=O)N1CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000776248818 628184488 /nfs/dbraw/zinc/18/44/88/628184488.db2.gz KTMKIAHMEAUYMK-CYBMUJFWSA-N 0 0 289.423 3.398 20 10 CGCDRN Cc1cc(Cl)cc(CNc2ccc(N(C)C)cn2)c1O ZINC000776251282 628184754 /nfs/dbraw/zinc/18/47/54/628184754.db2.gz ULVIDIGVHROISB-UHFFFAOYSA-N 0 0 291.782 3.427 20 10 CGCDRN COc1cccnc1NCc1cc(Cl)ccc1O ZINC000776253689 628185485 /nfs/dbraw/zinc/18/54/85/628185485.db2.gz ODFZHEHNKYBAAW-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)CC2 ZINC000777861399 628304846 /nfs/dbraw/zinc/30/48/46/628304846.db2.gz QNNSIPDPVPAEEO-SOFGYWHQSA-N 0 0 278.355 3.301 20 10 CGCDRN CCN1C(=O)/C(=C\c2cc(F)ccc2C)SC1=S ZINC000777873163 628305828 /nfs/dbraw/zinc/30/58/28/628305828.db2.gz JEIPMQUCIDYGJY-YRNVUSSQSA-N 0 0 281.377 3.355 20 10 CGCDRN CC(C)(C)c1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778917663 628377930 /nfs/dbraw/zinc/37/79/30/628377930.db2.gz GEPDGBBLAZUDNL-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1F ZINC000779147676 628390262 /nfs/dbraw/zinc/39/02/62/628390262.db2.gz AYSOVHJRSGAGNU-RISCZKNCSA-N 0 0 268.351 3.072 20 10 CGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)C1=CC(=O)CS1)[C@H](C)C2 ZINC000780805535 628518855 /nfs/dbraw/zinc/51/88/55/628518855.db2.gz VZAWIPZJLRIZNP-BMIGLBTASA-N 0 0 287.384 3.425 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)c1ccc(C)cc1 ZINC000780888229 628522347 /nfs/dbraw/zinc/52/23/47/628522347.db2.gz VRZOYHNNSDBTKJ-UHFFFAOYSA-N 0 0 285.343 3.381 20 10 CGCDRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(O)c1O)CC2 ZINC000780932686 628525194 /nfs/dbraw/zinc/52/51/94/628525194.db2.gz CPHFDCCSFMMDJR-OAHLLOKOSA-N 0 0 297.354 3.132 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(O)c1O ZINC000780950343 628525536 /nfs/dbraw/zinc/52/55/36/628525536.db2.gz LSPRHZBYBDCZCM-JHJVBQTASA-N 0 0 289.375 3.105 20 10 CGCDRN C[C@@H]1CC[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000782129521 628617020 /nfs/dbraw/zinc/61/70/20/628617020.db2.gz AKNJJENDUNXKQT-YGRLFVJLSA-N 0 0 265.378 3.106 20 10 CGCDRN CO[C@@H](C)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000782478902 628649133 /nfs/dbraw/zinc/64/91/33/628649133.db2.gz XVLKTPHZTUZFJH-JTQLQIEISA-N 0 0 289.297 3.373 20 10 CGCDRN CO[C@H](C)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000782479084 628649340 /nfs/dbraw/zinc/64/93/40/628649340.db2.gz XVLKTPHZTUZFJH-SNVBAGLBSA-N 0 0 289.297 3.373 20 10 CGCDRN CCOc1ccc(N(CC)CCOC2CCC2)cc1 ZINC000805743447 628696639 /nfs/dbraw/zinc/69/66/39/628696639.db2.gz HEPUTLKQMPDDCK-UHFFFAOYSA-N 0 0 263.381 3.481 20 10 CGCDRN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1ccccc1O ZINC000783528410 628721940 /nfs/dbraw/zinc/72/19/40/628721940.db2.gz NDWCCTVPLQEXAN-SNVBAGLBSA-N 0 0 284.315 3.010 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](C)[C@@H](C)O1 ZINC000783738355 628744649 /nfs/dbraw/zinc/74/46/49/628744649.db2.gz SAAOBFOCYCNELD-GMTAPVOTSA-N 0 0 269.772 3.043 20 10 CGCDRN CCCN(C(=O)/C=C/c1cnccc1C)c1cccnc1 ZINC000784063761 628773734 /nfs/dbraw/zinc/77/37/34/628773734.db2.gz ADQJQCLNMRBLJJ-VOTSOKGWSA-N 0 0 281.359 3.241 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](F)C(C)C ZINC000784438297 628813892 /nfs/dbraw/zinc/81/38/92/628813892.db2.gz OGNXMVZJTTZPTE-CQSZACIVSA-N 0 0 267.344 3.125 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)CC1)c1ccccc1O ZINC000875258801 634686894 /nfs/dbraw/zinc/68/68/94/634686894.db2.gz FWWCGYIMBFBKNV-AVGNSLFASA-N 0 0 276.380 3.331 20 10 CGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C)cc2)cc1 ZINC000784562128 628821768 /nfs/dbraw/zinc/82/17/68/628821768.db2.gz DKLGHPIGGDHLLG-UHFFFAOYSA-N 0 0 299.370 3.183 20 10 CGCDRN CCN(C[C@@H]1CCO[C@@H](C)C1)c1ccc(OC)cc1 ZINC000785732465 628883564 /nfs/dbraw/zinc/88/35/64/628883564.db2.gz NNNYZHIADPMRTC-UONOGXRCSA-N 0 0 263.381 3.337 20 10 CGCDRN CC[C@@]1(C)CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000785986746 628905978 /nfs/dbraw/zinc/90/59/78/628905978.db2.gz XFFRQZGCFAHDAQ-HNNXBMFYSA-N 0 0 283.799 3.355 20 10 CGCDRN CO[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000786953563 628972244 /nfs/dbraw/zinc/97/22/44/628972244.db2.gz MCUWIFPJKOLDEC-QPUJVOFHSA-N 0 0 295.276 3.149 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc(F)nc1C ZINC000787043096 628980775 /nfs/dbraw/zinc/98/07/75/628980775.db2.gz UUKZFAMZHGCJAV-UHFFFAOYSA-N 0 0 272.323 3.100 20 10 CGCDRN CCOc1ccc(N(C)CCC(C)(C)OC)cc1 ZINC000787252399 629005276 /nfs/dbraw/zinc/00/52/76/629005276.db2.gz WOHJUZUSAPVJLP-UHFFFAOYSA-N 0 0 251.370 3.337 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CC[C@H]1CCCO1 ZINC000787274826 629006475 /nfs/dbraw/zinc/00/64/75/629006475.db2.gz KYDWAFMACQIZGR-OAHLLOKOSA-N 0 0 275.392 3.407 20 10 CGCDRN CC[C@@H](Nc1cn(C)nc1OC)c1ccc(N(C)C)cc1 ZINC000788986332 629094444 /nfs/dbraw/zinc/09/44/44/629094444.db2.gz XUPQHBJYEVFUEL-CQSZACIVSA-N 0 0 288.395 3.058 20 10 CGCDRN CCCCC[C@H](NCc1cc(Cl)ccc1O)C(=O)OC ZINC000789574254 629145739 /nfs/dbraw/zinc/14/57/39/629145739.db2.gz CDDBYQRNEDNGIJ-ZDUSSCGKSA-N 0 0 299.798 3.257 20 10 CGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1c(F)cccc1F ZINC000790074635 629182319 /nfs/dbraw/zinc/18/23/19/629182319.db2.gz RDGSRMLVYNAZSA-MRVPVSSYSA-N 0 0 294.253 3.294 20 10 CGCDRN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(O)c1O ZINC000790486690 629212926 /nfs/dbraw/zinc/21/29/26/629212926.db2.gz YVALBJFKUHZSPI-YNEHKIRRSA-N 0 0 289.375 3.187 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC=C(C)C)c1 ZINC000790683022 629225138 /nfs/dbraw/zinc/22/51/38/629225138.db2.gz LDIRDVHDFNANFE-GFCCVEGCSA-N 0 0 277.364 3.186 20 10 CGCDRN CC(C)c1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000790939404 629241902 /nfs/dbraw/zinc/24/19/02/629241902.db2.gz BEBVNQGVQGIJBU-UHFFFAOYSA-N 0 0 285.343 3.151 20 10 CGCDRN Cc1ncc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)s1 ZINC000790959499 629243553 /nfs/dbraw/zinc/24/35/53/629243553.db2.gz GUTCKLKODFIVEM-UHFFFAOYSA-N 0 0 286.759 3.239 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972143 629244822 /nfs/dbraw/zinc/24/48/22/629244822.db2.gz FAMZETYVYRWTSN-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccnc(F)c1C ZINC000862210913 629323007 /nfs/dbraw/zinc/32/30/07/629323007.db2.gz AANWYJCEGTZJJI-UHFFFAOYSA-N 0 0 272.323 3.100 20 10 CGCDRN COc1ccc2c(c1)CCN2CC1(OC)CCCC1 ZINC000792161410 629342560 /nfs/dbraw/zinc/34/25/60/629342560.db2.gz ICZJPGAXVVYLEZ-UHFFFAOYSA-N 0 0 261.365 3.017 20 10 CGCDRN CCC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OCC ZINC000862435265 629371634 /nfs/dbraw/zinc/37/16/34/629371634.db2.gz TWERWGVALORLNN-LLVKDONJSA-N 0 0 289.778 3.480 20 10 CGCDRN Oc1ccccc1CN(Cc1ccco1)CC1(F)CC1 ZINC000792761151 629379359 /nfs/dbraw/zinc/37/93/59/629379359.db2.gz JSSBQBXSLJJSDL-UHFFFAOYSA-N 0 0 275.323 3.490 20 10 CGCDRN COCc1ccc(NCc2cccc(C)c2O)cc1OC ZINC000862537165 629394483 /nfs/dbraw/zinc/39/44/83/629394483.db2.gz UJSPLJQHPHDZPC-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862552010 629401421 /nfs/dbraw/zinc/40/14/21/629401421.db2.gz WBKPWGWOCAVVRS-IYBDPMFKSA-N 0 0 280.371 3.186 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)C2CCCC2)c1 ZINC000862757676 629430017 /nfs/dbraw/zinc/43/00/17/629430017.db2.gz CARNJAOGPBZGCA-GFCCVEGCSA-N 0 0 261.365 3.143 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(F)F ZINC000793246147 629435347 /nfs/dbraw/zinc/43/53/47/629435347.db2.gz OBOWIXVUDLZWKJ-UHFFFAOYSA-N 0 0 284.350 3.146 20 10 CGCDRN CC(=O)CCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863167502 629488056 /nfs/dbraw/zinc/48/80/56/629488056.db2.gz JZVFPAVCRQLUHV-UHFFFAOYSA-N 0 0 298.386 3.080 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC1(C)C ZINC000806022068 629488178 /nfs/dbraw/zinc/48/81/78/629488178.db2.gz QSANGNVLLJAUEU-HNNXBMFYSA-N 0 0 289.423 3.049 20 10 CGCDRN CCOC(=O)[C@@H](Sc1nccs1)C(C)(C)C ZINC000863295055 629526812 /nfs/dbraw/zinc/52/68/12/629526812.db2.gz JCMZVKZXGRMBLV-MRVPVSSYSA-N 0 0 259.396 3.213 20 10 CGCDRN COc1ccc(CNC(=O)CCC2CCCCC2)c(O)c1 ZINC000794379289 629538191 /nfs/dbraw/zinc/53/81/91/629538191.db2.gz OENKZRSHEZQMJJ-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN COC(=O)c1cnc(SCCC(F)(F)Cl)s1 ZINC000863342085 629538972 /nfs/dbraw/zinc/53/89/72/629538972.db2.gz YMTDVKRYCUFRKL-UHFFFAOYSA-N 0 0 287.740 3.244 20 10 CGCDRN COC(=O)[C@@H](Cc1ccc(C)cc1)Sc1nccs1 ZINC000794428711 629542326 /nfs/dbraw/zinc/54/23/26/629542326.db2.gz WTXQZGDVSSNVOH-GFCCVEGCSA-N 0 0 293.413 3.328 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000795103704 629632085 /nfs/dbraw/zinc/63/20/85/629632085.db2.gz GDOJAMINZWNZRK-GFCCVEGCSA-N 0 0 296.361 3.113 20 10 CGCDRN COc1ccc(CNc2ncnc3c(F)cccc23)c(O)c1 ZINC000795289995 629657432 /nfs/dbraw/zinc/65/74/32/629657432.db2.gz OKTGJEIDXBFBHW-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796758237 629827285 /nfs/dbraw/zinc/82/72/85/629827285.db2.gz BTBAWGRSCYNBOC-HZUKXOBISA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(F)cc1[O-] ZINC000796798311 629836377 /nfs/dbraw/zinc/83/63/77/629836377.db2.gz KZUJMOZYZQUGLD-UGWHAMFMSA-N 0 0 281.371 3.266 20 10 CGCDRN CN(Cc1ccccc1O)c1ccncc1Br ZINC000798395829 630053645 /nfs/dbraw/zinc/05/36/45/630053645.db2.gz KMXLECYBWYHIDW-UHFFFAOYSA-N 0 0 293.164 3.186 20 10 CGCDRN Cc1cc(O)c(CNc2nnc([C@H]3C[C@H]3C)o2)c(Cl)c1 ZINC000865294996 630056934 /nfs/dbraw/zinc/05/69/34/630056934.db2.gz WLDPXAUSHXIXPQ-BDAKNGLRSA-N 0 0 293.754 3.473 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C)c1 ZINC000798937064 630127686 /nfs/dbraw/zinc/12/76/86/630127686.db2.gz JPGPDNWGCYODHR-OBJOEFQTSA-N 0 0 291.391 3.266 20 10 CGCDRN CN1C(=O)/C(=C/c2cccnc2)c2cc(Cl)ccc21 ZINC000799502080 630193369 /nfs/dbraw/zinc/19/33/69/630193369.db2.gz VDIRGZFFUSRDHA-NTUHNPAUSA-N 0 0 270.719 3.252 20 10 CGCDRN Cc1cc(O)c(CNc2ccc3[nH]c(=O)n(C)c3c2)cc1C ZINC000799740039 630229332 /nfs/dbraw/zinc/22/93/32/630229332.db2.gz HOBSURSSENKMPS-UHFFFAOYSA-N 0 0 297.358 3.213 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2=CC[C@@H](C)CC2)c1 ZINC000836777794 634800583 /nfs/dbraw/zinc/80/05/83/634800583.db2.gz PFNPQBAKUFJODT-NEPJUHHUSA-N 0 0 289.375 3.324 20 10 CGCDRN Oc1ccc(F)cc1CN1CCCC[C@@H]1C(F)F ZINC000800533515 630291450 /nfs/dbraw/zinc/29/14/50/630291450.db2.gz POVGHXXOLBSJEJ-LLVKDONJSA-N 0 0 259.271 3.151 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(C)C ZINC000839917130 630295180 /nfs/dbraw/zinc/29/51/80/630295180.db2.gz ZZFWLBYIPMXUPU-CYBMUJFWSA-N 0 0 276.424 3.154 20 10 CGCDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(C)(C)O)c1O ZINC000808710168 630296666 /nfs/dbraw/zinc/29/66/66/630296666.db2.gz ZDQBZYSBMSXTOS-VHSXEESVSA-N 0 0 271.788 3.164 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC1(C)CC1 ZINC000839921038 630296721 /nfs/dbraw/zinc/29/67/21/630296721.db2.gz GRDJIYNNMYTTHJ-AWEZNQCLSA-N 0 0 288.435 3.298 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC000839921432 630297357 /nfs/dbraw/zinc/29/73/57/630297357.db2.gz ZGMJSQOBDKZHLZ-XJKSGUPXSA-N 0 0 288.435 3.154 20 10 CGCDRN Cc1cc(C)nc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000800891282 630309393 /nfs/dbraw/zinc/30/93/93/630309393.db2.gz ISVNNNUBXQAMII-UHFFFAOYSA-N 0 0 297.402 3.003 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](O)CCC ZINC000801545152 630342293 /nfs/dbraw/zinc/34/22/93/630342293.db2.gz HXADYOOXVUALLZ-HNNXBMFYSA-N 0 0 293.407 3.072 20 10 CGCDRN CN(C)c1ccc(CNc2cnn3c2CCCC3)cc1F ZINC000865709567 630399287 /nfs/dbraw/zinc/39/92/87/630399287.db2.gz KEKFKMXXKXNKOC-UHFFFAOYSA-N 0 0 288.370 3.037 20 10 CGCDRN COc1ccc(CNC(=O)c2occc2C(C)C)c(O)c1 ZINC000803291767 630462231 /nfs/dbraw/zinc/46/22/31/630462231.db2.gz ARALZXXFXWFDJB-UHFFFAOYSA-N 0 0 289.331 3.047 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2(F)CCC2)c1 ZINC000806174519 630553122 /nfs/dbraw/zinc/55/31/22/630553122.db2.gz XWYNUXZKNQWKNI-NSHDSACASA-N 0 0 295.354 3.112 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1C ZINC000807260473 630586833 /nfs/dbraw/zinc/58/68/33/630586833.db2.gz WRIBHGULJZQBDK-TZMCWYRMSA-N 0 0 276.380 3.112 20 10 CGCDRN C[C@@H](Nc1ccc2c(n1)CCC2=O)c1ccc(N(C)C)cc1 ZINC000808023470 630619246 /nfs/dbraw/zinc/61/92/46/630619246.db2.gz MJDRKUHSJSIWQE-GFCCVEGCSA-N 0 0 295.386 3.450 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)cnn2C)cc1Cl ZINC000809636774 630770159 /nfs/dbraw/zinc/77/01/59/630770159.db2.gz DQHLOXMBZAOHIU-UHFFFAOYSA-N 0 0 279.771 3.027 20 10 CGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1cccc(OC)c1O ZINC000878666475 635597594 /nfs/dbraw/zinc/59/75/94/635597594.db2.gz BUOZQUQYGCHZQE-SUMWQHHRSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1cc(O)c(CN2CCn3cncc3C2)cc1C(C)C ZINC000811787262 631120307 /nfs/dbraw/zinc/12/03/07/631120307.db2.gz GKZRFCRGLYPNAF-UHFFFAOYSA-N 0 0 285.391 3.036 20 10 CGCDRN CO[C@@](C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000812772724 631305951 /nfs/dbraw/zinc/30/59/51/631305951.db2.gz OGSCAHSKTFKGEY-AWEZNQCLSA-N 0 0 287.762 3.089 20 10 CGCDRN CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000812779562 631306523 /nfs/dbraw/zinc/30/65/23/631306523.db2.gz RNBURDNDWICZOI-LLVKDONJSA-N 0 0 290.190 3.044 20 10 CGCDRN Cc1ccc(CNc2cccc(C(=O)NC3CC3)c2)c(O)c1 ZINC000876519849 634849851 /nfs/dbraw/zinc/84/98/51/634849851.db2.gz ANZHLHOFOWLWRK-UHFFFAOYSA-N 0 0 296.370 3.205 20 10 CGCDRN Cc1ccccc1C[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000876527515 634851036 /nfs/dbraw/zinc/85/10/36/634851036.db2.gz IHTNHFRZSLBSNK-HNNXBMFYSA-N 0 0 296.414 3.115 20 10 CGCDRN CC[C@@H]1CC[C@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000837095002 634853315 /nfs/dbraw/zinc/85/33/15/634853315.db2.gz NNQASPOKIJOGNP-YKNITIARSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1ccoc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000813882570 631476418 /nfs/dbraw/zinc/47/64/18/631476418.db2.gz CPERANXIGIWIQO-VIFPVBQESA-N 0 0 267.275 3.423 20 10 CGCDRN CCOc1ccc(N(C)Cc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000814623698 631613208 /nfs/dbraw/zinc/61/32/08/631613208.db2.gz ARVVSDGLZRPHTR-UHFFFAOYSA-N 0 0 288.395 3.137 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCC1CCOCC1 ZINC000814617769 631613473 /nfs/dbraw/zinc/61/34/73/631613473.db2.gz RKPNAGDNDXLHQH-UHFFFAOYSA-N 0 0 275.392 3.265 20 10 CGCDRN CC1(C)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816509022 631998289 /nfs/dbraw/zinc/99/82/89/631998289.db2.gz BNMHMTAQFXXHHD-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN COC(C)(C)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816520214 632001994 /nfs/dbraw/zinc/00/19/94/632001994.db2.gz IPCJKNIRSSRFNZ-UHFFFAOYSA-N 0 0 275.751 3.042 20 10 CGCDRN COc1ccc(NCc2cc(Cl)c(F)cc2O)cn1 ZINC000816556801 632011122 /nfs/dbraw/zinc/01/11/22/632011122.db2.gz UHBWEYUUXRXHHA-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN CCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816555520 632011634 /nfs/dbraw/zinc/01/16/34/632011634.db2.gz IKBHWSJJHIVCKQ-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN Cc1cn2c(n1)CN(Cc1ccc3ccccc3c1O)CC2 ZINC000816566687 632014840 /nfs/dbraw/zinc/01/48/40/632014840.db2.gz CPNSWRMTSXLBRA-UHFFFAOYSA-N 0 0 293.370 3.066 20 10 CGCDRN Oc1ccc(F)cc1CNCc1c(F)cc(F)cc1F ZINC000816650954 632037575 /nfs/dbraw/zinc/03/75/75/632037575.db2.gz KVXNJFBTIDYHFK-UHFFFAOYSA-N 0 0 285.240 3.238 20 10 CGCDRN Oc1ccc(Cl)cc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666666 632040476 /nfs/dbraw/zinc/04/04/76/632040476.db2.gz SROANKNXTXHFIH-HZPDHXFCSA-N 0 0 293.794 3.189 20 10 CGCDRN O=C(NC[C@H](c1ccccc1)C1CC1)c1cccc(O)c1O ZINC000817089003 632077209 /nfs/dbraw/zinc/07/72/09/632077209.db2.gz PBJNMNBULCJDFA-OAHLLOKOSA-N 0 0 297.354 3.021 20 10 CGCDRN CCn1nc(C)c(COc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000817380683 632134352 /nfs/dbraw/zinc/13/43/52/632134352.db2.gz ZCCFHMMNIGFAMP-UHFFFAOYSA-N 0 0 298.390 3.294 20 10 CGCDRN C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(Cl)cc1[O-] ZINC000817585829 632191391 /nfs/dbraw/zinc/19/13/91/632191391.db2.gz IVEATJXIVXLPCU-LLVKDONJSA-N 0 0 283.799 3.391 20 10 CGCDRN CCc1cc(NCc2ccc(N(CC)CC)cc2)nn1C ZINC000817709538 632203381 /nfs/dbraw/zinc/20/33/81/632203381.db2.gz UXSIRQKVMZUMTE-UHFFFAOYSA-N 0 0 286.423 3.441 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000817767595 632222828 /nfs/dbraw/zinc/22/28/28/632222828.db2.gz ZZQMYUBTFKABAC-QMMMGPOBSA-N 0 0 293.310 3.258 20 10 CGCDRN C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952097 632247836 /nfs/dbraw/zinc/24/78/36/632247836.db2.gz NEIVBXQZJAYNHB-IUCAKERBSA-N 0 0 289.206 3.102 20 10 CGCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000819196840 632400623 /nfs/dbraw/zinc/40/06/23/632400623.db2.gz TURHWQGJHMAEDB-TZMCWYRMSA-N 0 0 292.398 3.334 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)coc1C ZINC000819761458 632509301 /nfs/dbraw/zinc/50/93/01/632509301.db2.gz QYNBWVQHVWWUHF-UHFFFAOYSA-N 0 0 294.347 3.018 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)CCCF)cc1 ZINC000819974917 632552896 /nfs/dbraw/zinc/55/28/96/632552896.db2.gz UTSPLDLCRCLWHP-UHFFFAOYSA-N 0 0 280.387 3.241 20 10 CGCDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1ccc(N2CCCC2)cc1 ZINC000822495204 632948184 /nfs/dbraw/zinc/94/81/84/632948184.db2.gz BLJSYSOIHXAVOC-XYJFISCASA-N 0 0 298.430 3.339 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nc(C(F)F)no2)cc1 ZINC000822717709 633011318 /nfs/dbraw/zinc/01/13/18/633011318.db2.gz MSMGMFPFBLHQIS-UHFFFAOYSA-N 0 0 297.305 3.432 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@]3(C)CC=CCC3)ccc21 ZINC000822867842 633032232 /nfs/dbraw/zinc/03/22/32/633032232.db2.gz NGZQDZAYTLFBMW-IBGZPJMESA-N 0 0 298.430 3.432 20 10 CGCDRN CCOC(=O)c1cnc(N[C@H](C)c2ccccc2O)s1 ZINC000866239577 633040863 /nfs/dbraw/zinc/04/08/63/633040863.db2.gz VOQPKVWEDDFRJG-SECBINFHSA-N 0 0 292.360 3.199 20 10 CGCDRN CCC(CC)N(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822978304 633045676 /nfs/dbraw/zinc/04/56/76/633045676.db2.gz HOADXIUFAZDDEN-UHFFFAOYSA-N 0 0 290.367 3.500 20 10 CGCDRN O=C(C[C@H]1CC=CCC1)NCc1ccc2cccnc2c1O ZINC000823182380 633070680 /nfs/dbraw/zinc/07/06/80/633070680.db2.gz UHKZLFWNISSWMU-ZDUSSCGKSA-N 0 0 296.370 3.303 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866411396 633127633 /nfs/dbraw/zinc/12/76/33/633127633.db2.gz KVVPQPGOEPKKNR-QMTHXVAHSA-N 0 0 276.336 3.284 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(Cl)c1[O-] ZINC000866442803 633133576 /nfs/dbraw/zinc/13/35/76/633133576.db2.gz TVRMPQHUVLAMQL-MNOVXSKESA-N 0 0 293.741 3.102 20 10 CGCDRN C[C@H](Nc1cnn2c1CCCC2)c1ccc(F)cc1O ZINC000866459772 633145210 /nfs/dbraw/zinc/14/52/10/633145210.db2.gz BDQNBAVGJFNJBN-JTQLQIEISA-N 0 0 275.327 3.237 20 10 CGCDRN CC[C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824432443 633245085 /nfs/dbraw/zinc/24/50/85/633245085.db2.gz UITWWZZIFIKLQS-SNVBAGLBSA-N 0 0 276.340 3.015 20 10 CGCDRN COCc1csc(CN2CCc3cc(OC)ccc32)c1 ZINC000824479023 633249393 /nfs/dbraw/zinc/24/93/93/633249393.db2.gz QZKAECFFMMCCJM-UHFFFAOYSA-N 0 0 289.400 3.466 20 10 CGCDRN Cc1cc(O)c(CN[C@H](C(=O)OC(C)C)C(C)C)cc1C ZINC000824845295 633300008 /nfs/dbraw/zinc/30/00/08/633300008.db2.gz IXQOSADNYFSSJV-INIZCTEOSA-N 0 0 293.407 3.075 20 10 CGCDRN C[C@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1O ZINC000868430134 633323129 /nfs/dbraw/zinc/32/31/29/633323129.db2.gz CEJBPFBFDPUPAH-LBPRGKRZSA-N 0 0 288.391 3.333 20 10 CGCDRN C[C@H](CCC1CC1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868507859 633331094 /nfs/dbraw/zinc/33/10/94/633331094.db2.gz ATEPLMIVZHPYBU-VXGBXAGGSA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccccc1O ZINC000868505759 633331124 /nfs/dbraw/zinc/33/11/24/633331124.db2.gz AZISMXLJIPWYCD-RKDXNWHRSA-N 0 0 290.285 3.093 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215273 633336368 /nfs/dbraw/zinc/33/63/68/633336368.db2.gz KRNYQXILWWMEDA-HNNXBMFYSA-N 0 0 281.396 3.250 20 10 CGCDRN C[C@H](NC(=O)NCC[C@]1(C)CC1(F)F)c1ccccc1O ZINC000868776442 633362090 /nfs/dbraw/zinc/36/20/90/633362090.db2.gz HWYPTVXLJJBKLP-IINYFYTJSA-N 0 0 298.333 3.188 20 10 CGCDRN CC(C)[C@@H](NC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868784781 633362466 /nfs/dbraw/zinc/36/24/66/633362466.db2.gz ZTZOEJHVIBGNDN-IAQYHMDHSA-N 0 0 276.380 3.187 20 10 CGCDRN CC(C)N(C(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000826071754 633402997 /nfs/dbraw/zinc/40/29/97/633402997.db2.gz QPPIMIVVNIAMEP-UHFFFAOYSA-N 0 0 253.367 3.247 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@]12C[C@H]1CCCC2 ZINC000869146729 633408899 /nfs/dbraw/zinc/40/88/99/633408899.db2.gz LCTDPDKOXQSKTQ-IAQYHMDHSA-N 0 0 279.767 3.242 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1Cl ZINC000827152624 633464821 /nfs/dbraw/zinc/46/48/21/633464821.db2.gz UDIRZSGOSJWBTQ-MRXNPFEDSA-N 0 0 295.810 3.091 20 10 CGCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000827252121 633476015 /nfs/dbraw/zinc/47/60/15/633476015.db2.gz XDSREUHMVYGNAD-ONGXEEELSA-N 0 0 287.762 3.232 20 10 CGCDRN C[C@H](O)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000827856226 633525251 /nfs/dbraw/zinc/52/52/51/633525251.db2.gz MZVZHYOVTGDUDY-NHYWBVRUSA-N 0 0 291.778 3.257 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)OCc1ccccc1)c1ccccc1O ZINC000827923657 633534500 /nfs/dbraw/zinc/53/45/00/633534500.db2.gz WWGHHYGPFGATNQ-KGLIPLIRSA-N 0 0 299.370 3.175 20 10 CGCDRN Cc1oc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC000827922923 633534960 /nfs/dbraw/zinc/53/49/60/633534960.db2.gz DFBCUCUCQUFXEC-SNVBAGLBSA-N 0 0 273.332 3.401 20 10 CGCDRN CCOc1ccc(N(C)CCC[C@@H]2CCOC2)cc1 ZINC000827936214 633536541 /nfs/dbraw/zinc/53/65/41/633536541.db2.gz GVQKGJJDEWROME-CQSZACIVSA-N 0 0 263.381 3.338 20 10 CGCDRN C[C@@H](NC(=O)C1=CCCCCC1)c1ccccc1O ZINC000827940825 633537307 /nfs/dbraw/zinc/53/73/07/633537307.db2.gz IYOKFXRCODOGEH-GFCCVEGCSA-N 0 0 259.349 3.460 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1O ZINC000827941136 633538183 /nfs/dbraw/zinc/53/81/83/633538183.db2.gz NNMFLEJBKGCKJC-CHWSQXEVSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@H](CC(F)(F)F)C(=O)N[C@H](C)c1ccccc1O ZINC000827952227 633538868 /nfs/dbraw/zinc/53/88/68/633538868.db2.gz KHXPNOHBSUEGKW-RKDXNWHRSA-N 0 0 275.270 3.158 20 10 CGCDRN COCc1sccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827956771 633540462 /nfs/dbraw/zinc/54/04/62/633540462.db2.gz OVLAKAFXGACGIB-JTQLQIEISA-N 0 0 291.372 3.091 20 10 CGCDRN CO[C@H](C(=O)N[C@H](C)c1ccccc1O)C1CCCCC1 ZINC000827957085 633540591 /nfs/dbraw/zinc/54/05/91/633540591.db2.gz RSDFFBOQOUXBIN-WBMJQRKESA-N 0 0 291.391 3.165 20 10 CGCDRN COCC1(C(=O)N[C@@H](C)c2ccccc2O)CCCCC1 ZINC000827960095 633540947 /nfs/dbraw/zinc/54/09/47/633540947.db2.gz IZFSEYFNXWJAAU-ZDUSSCGKSA-N 0 0 291.391 3.166 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(C2CC2)n1 ZINC000827960855 633541439 /nfs/dbraw/zinc/54/14/39/633541439.db2.gz XXKHXPDCMCYFQZ-LBPRGKRZSA-N 0 0 296.370 3.464 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000827963980 633541530 /nfs/dbraw/zinc/54/15/30/633541530.db2.gz FSFFYYIGNYDICN-OPDFLTKYSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@H](NC(=O)CCCOC(C)(C)C)c1ccccc1O ZINC000827964166 633541734 /nfs/dbraw/zinc/54/17/34/633541734.db2.gz GTVJXIRTHRGLQV-LBPRGKRZSA-N 0 0 279.380 3.165 20 10 CGCDRN C[C@H](NC(=O)CO[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000827978177 633543316 /nfs/dbraw/zinc/54/33/16/633543316.db2.gz JZBRJLXBTYMSJY-DVOMOZLQSA-N 0 0 291.391 3.165 20 10 CGCDRN Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC000827987147 633544664 /nfs/dbraw/zinc/54/46/64/633544664.db2.gz YETCEGURYWLHCT-AWEZNQCLSA-N 0 0 299.370 3.265 20 10 CGCDRN Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827985311 633544900 /nfs/dbraw/zinc/54/49/00/633544900.db2.gz IURVUYZEBQZXRL-KBPBESRZSA-N 0 0 299.370 3.345 20 10 CGCDRN Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1ccccc1O ZINC000827986374 633545267 /nfs/dbraw/zinc/54/52/67/633545267.db2.gz QBHUNBVZWDHDCU-AWEZNQCLSA-N 0 0 299.370 3.265 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnns1 ZINC000828153502 633574619 /nfs/dbraw/zinc/57/46/19/633574619.db2.gz OOCRIPLFVPOCGP-UHFFFAOYSA-N 0 0 297.330 3.092 20 10 CGCDRN CC(C)(C)[C@@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000828948417 633671697 /nfs/dbraw/zinc/67/16/97/633671697.db2.gz FVRRPOCVJIZESX-SECBINFHSA-N 0 0 281.299 3.161 20 10 CGCDRN CC(C)CCSCC(=O)N1Cc2cccc(O)c2C1 ZINC000871200577 633722461 /nfs/dbraw/zinc/72/24/61/633722461.db2.gz GXLSAROPICFMRH-UHFFFAOYSA-N 0 0 279.405 3.014 20 10 CGCDRN C[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CCc2ccccc21 ZINC000871205433 633724130 /nfs/dbraw/zinc/72/41/30/633724130.db2.gz DNNFPUXRNDBAKE-LJQANCHMSA-N 0 0 293.366 3.139 20 10 CGCDRN O=C([C@H]1CCCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000871204598 633724246 /nfs/dbraw/zinc/72/42/46/633724246.db2.gz HOYNLUPLDHGLRN-GFCCVEGCSA-N 0 0 281.302 3.060 20 10 CGCDRN C[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCc2ccccc21 ZINC000871205430 633724343 /nfs/dbraw/zinc/72/43/43/633724343.db2.gz DNNFPUXRNDBAKE-IBGZPJMESA-N 0 0 293.366 3.139 20 10 CGCDRN C[C@@H]1CC[C@@H](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203499 633724723 /nfs/dbraw/zinc/72/47/23/633724723.db2.gz MPYIMCDLBFUULP-VXGBXAGGSA-N 0 0 259.349 3.061 20 10 CGCDRN Cc1ccc(CCC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871205826 633725082 /nfs/dbraw/zinc/72/50/82/633725082.db2.gz ZMCMSHRYPPDDKD-UHFFFAOYSA-N 0 0 287.384 3.237 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205647 633725233 /nfs/dbraw/zinc/72/52/33/633725233.db2.gz JBMGKPROHLWHNH-GFCCVEGCSA-N 0 0 261.365 3.307 20 10 CGCDRN O=C(C[C@@H]1CCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000871205837 633725753 /nfs/dbraw/zinc/72/57/53/633725753.db2.gz ZZNDCXALDQIIQU-JTQLQIEISA-N 0 0 281.302 3.060 20 10 CGCDRN O=C([C@H]1[C@@H]2CCCCCC[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000871206753 633726371 /nfs/dbraw/zinc/72/63/71/633726371.db2.gz CYTBGWBNUCMCQE-HALDLXJZSA-N 0 0 285.387 3.451 20 10 CGCDRN Cc1cc(C)c(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871206577 633726678 /nfs/dbraw/zinc/72/66/78/633726678.db2.gz ATUOWTVHJHLBLA-UHFFFAOYSA-N 0 0 273.357 3.227 20 10 CGCDRN COC(=O)c1cnc(S[C@H](C)c2ncc(C)o2)s1 ZINC000829681147 633766272 /nfs/dbraw/zinc/76/62/72/633766272.db2.gz PAPVUAYCZDGEEA-SSDOTTSWSA-N 0 0 284.362 3.079 20 10 CGCDRN COc1ccc(O)c(CNC(=O)O[C@H](C)CC(C)C)c1 ZINC000830638798 633877153 /nfs/dbraw/zinc/87/71/53/633877153.db2.gz SRRXRAIFNZBVDA-LLVKDONJSA-N 0 0 281.352 3.062 20 10 CGCDRN Cc1cc(CNc2ccccc2NC(C)C)ncn1 ZINC000871846090 633889711 /nfs/dbraw/zinc/88/97/11/633889711.db2.gz QKXRZEBSVPFWLK-UHFFFAOYSA-N 0 0 256.353 3.217 20 10 CGCDRN CC(C)Nc1ccccc1NCc1ncnn1C(C)C ZINC000871845466 633889773 /nfs/dbraw/zinc/88/97/73/633889773.db2.gz BJWUGCLYOGFJAA-UHFFFAOYSA-N 0 0 273.384 3.291 20 10 CGCDRN CCc1noc(CNc2ccccc2NC(C)C)n1 ZINC000871846968 633892660 /nfs/dbraw/zinc/89/26/60/633892660.db2.gz IMPVHEZXCLLSAR-UHFFFAOYSA-N 0 0 260.341 3.064 20 10 CGCDRN CCOc1ccc(CNc2nc(C(C)C)ns2)c(O)c1 ZINC000871865859 633903160 /nfs/dbraw/zinc/90/31/60/633903160.db2.gz WFKXMDARRYLRRU-UHFFFAOYSA-N 0 0 293.392 3.378 20 10 CGCDRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000831533908 633972411 /nfs/dbraw/zinc/97/24/11/633972411.db2.gz BPAAZSYBQQRMKL-BFUOFWGJSA-N 0 0 294.398 3.251 20 10 CGCDRN COCC(C)(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872104302 634024566 /nfs/dbraw/zinc/02/45/66/634024566.db2.gz AAPRNMLJWQFFGC-NSHDSACASA-N 0 0 296.367 3.014 20 10 CGCDRN C[C@H](NC(=O)c1ccc(F)s1)c1ccc(N(C)C)cc1 ZINC000832431116 634058905 /nfs/dbraw/zinc/05/89/05/634058905.db2.gz KLBGESAXCGPCRE-JTQLQIEISA-N 0 0 292.379 3.444 20 10 CGCDRN Cc1ccoc1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000832436176 634058976 /nfs/dbraw/zinc/05/89/76/634058976.db2.gz HZVAKJWPNVTGAF-ZDUSSCGKSA-N 0 0 286.375 3.074 20 10 CGCDRN CCCOc1ccc(CNCc2ccn(CC)n2)cc1C ZINC000873130469 634252761 /nfs/dbraw/zinc/25/27/61/634252761.db2.gz DQAWJAOYHYDJOP-UHFFFAOYSA-N 0 0 287.407 3.290 20 10 CGCDRN C[C@H](NC(=O)NCCC[C@H]1C=CCC1)c1ccccc1O ZINC000873137835 634256084 /nfs/dbraw/zinc/25/60/84/634256084.db2.gz ISSQDMRPYIHBIG-KBPBESRZSA-N 0 0 288.391 3.499 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873156456 634264503 /nfs/dbraw/zinc/26/45/03/634264503.db2.gz KDXRGXWJPBMMMD-PKFCDNJMSA-N 0 0 299.773 3.232 20 10 CGCDRN CC[C@@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834883209 634265274 /nfs/dbraw/zinc/26/52/74/634265274.db2.gz ZWOSMVFHDGJFKW-XPTSAGLGSA-N 0 0 273.323 3.136 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])[C@H](C)O ZINC000834889022 634268492 /nfs/dbraw/zinc/26/84/92/634268492.db2.gz TXYDDCICLFQABZ-PTRXPTGYSA-N 0 0 291.313 3.221 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000834904070 634280952 /nfs/dbraw/zinc/28/09/52/634280952.db2.gz MQMVXYJZJMAMDX-NXEZZACHSA-N 0 0 295.333 3.299 20 10 CGCDRN C[C@H]([NH2+]CCC[C@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000834905938 634282296 /nfs/dbraw/zinc/28/22/96/634282296.db2.gz VJQHTASHMDJJAZ-QWRGUYRKSA-N 0 0 285.334 3.138 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CCC=C(F)C2)cc1 ZINC000835044527 634331339 /nfs/dbraw/zinc/33/13/39/634331339.db2.gz LFFWBWKIJSUDEH-HYXAFXHYSA-N 0 0 260.356 3.325 20 10 CGCDRN Cc1nc([C@@H]2CCCCN2Cc2ccc(C)cc2O)no1 ZINC000876626957 634871350 /nfs/dbraw/zinc/87/13/50/634871350.db2.gz ACPVUQPOQPDKAK-AWEZNQCLSA-N 0 0 287.363 3.119 20 10 CGCDRN CC[N@H+](CCc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000876635033 634872304 /nfs/dbraw/zinc/87/23/04/634872304.db2.gz KBZIKOAFJWIKMA-UHFFFAOYSA-N 0 0 292.329 3.130 20 10 CGCDRN CCc1nc(CN(C)Cc2ccc(C)cc2O)cs1 ZINC000876641663 634873388 /nfs/dbraw/zinc/87/33/88/634873388.db2.gz MCJINIOEEUJGBE-UHFFFAOYSA-N 0 0 276.405 3.352 20 10 CGCDRN Nc1ccc(CNC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000837303053 634881579 /nfs/dbraw/zinc/88/15/79/634881579.db2.gz RMDHWJBWGUJHMB-HNNXBMFYSA-N 0 0 294.398 3.080 20 10 CGCDRN Cc1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c(O)c1 ZINC000876750131 634892168 /nfs/dbraw/zinc/89/21/68/634892168.db2.gz OGQQYQNWQKHIEW-NWDGAFQWSA-N 0 0 251.395 3.026 20 10 CGCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000837342796 634892224 /nfs/dbraw/zinc/89/22/24/634892224.db2.gz ZVZHQVCENUHMOL-AWEZNQCLSA-N 0 0 286.419 3.339 20 10 CGCDRN CCc1cnc(CN(C)Cc2c(C)cccc2O)s1 ZINC000876779357 634898119 /nfs/dbraw/zinc/89/81/19/634898119.db2.gz BUWJEHOPCQEJTD-UHFFFAOYSA-N 0 0 276.405 3.352 20 10 CGCDRN C[C@@H]([N@H+](C)Cc1ccc(F)c(F)c1[O-])C1(C)CC1 ZINC000876805914 634902302 /nfs/dbraw/zinc/90/23/02/634902302.db2.gz IGZYROLCYLNXGR-SECBINFHSA-N 0 0 255.308 3.291 20 10 CGCDRN CC[C@@H](CC(F)F)C(=O)NCc1ccc(N(C)C)cc1C ZINC000837423878 634906216 /nfs/dbraw/zinc/90/62/16/634906216.db2.gz KAALQKYDUHURSU-LBPRGKRZSA-N 0 0 298.377 3.359 20 10 CGCDRN O=C(OC[C@H]1CCCCC1(F)F)C1=CC(=O)CS1 ZINC000837516169 634924028 /nfs/dbraw/zinc/92/40/28/634924028.db2.gz XYJDGORFIVCWAE-MRVPVSSYSA-N 0 0 276.304 3.436 20 10 CGCDRN CC1(C)CCC[C@@H]1CCNC(=O)Cc1ccc(N)cc1 ZINC000876987808 634944260 /nfs/dbraw/zinc/94/42/60/634944260.db2.gz JPBHMIBJIMWRQR-CQSZACIVSA-N 0 0 274.408 3.144 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)s1 ZINC000126300304 634955506 /nfs/dbraw/zinc/95/55/06/634955506.db2.gz HZOTVZDOSWMYCL-SSDOTTSWSA-N 0 0 297.763 3.304 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNCc1nc2ccccc2o1 ZINC000877031669 634955640 /nfs/dbraw/zinc/95/56/40/634955640.db2.gz SVOLXYNSBZBTLQ-UHFFFAOYSA-N 0 0 295.386 3.492 20 10 CGCDRN CCc1cc(C)c(C(=O)N(C)c2ccc(N)cc2)o1 ZINC000877076065 634973879 /nfs/dbraw/zinc/97/38/79/634973879.db2.gz LSOKVTYFUHVRNJ-UHFFFAOYSA-N 0 0 258.321 3.009 20 10 CGCDRN Cc1ccc(C[C@H](C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877076960 634974840 /nfs/dbraw/zinc/97/48/40/634974840.db2.gz YNINDURMSIFWAE-AWEZNQCLSA-N 0 0 282.387 3.419 20 10 CGCDRN CN(C(=O)c1ccc(OC2CCC2)cc1)c1ccc(N)cc1 ZINC000877077612 634975164 /nfs/dbraw/zinc/97/51/64/634975164.db2.gz OSDCDVSPBLMWAQ-UHFFFAOYSA-N 0 0 296.370 3.477 20 10 CGCDRN CN(C(=O)CCCOCc1ccccc1)c1ccc(N)cc1 ZINC000877081200 634976778 /nfs/dbraw/zinc/97/67/78/634976778.db2.gz XIINGYUPGXIYME-UHFFFAOYSA-N 0 0 298.386 3.229 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc2c(c1)COC2 ZINC000877118867 634989347 /nfs/dbraw/zinc/98/93/47/634989347.db2.gz OINZLUIWKMHLDD-UHFFFAOYSA-N 0 0 255.317 3.343 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840816674 635057520 /nfs/dbraw/zinc/05/75/20/635057520.db2.gz XHPHARVPFZFABH-MFKMUULPSA-N 0 0 277.343 3.067 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccc(F)cc1[O-] ZINC000840836228 635060822 /nfs/dbraw/zinc/06/08/22/635060822.db2.gz WCFGSVISOKFNNA-FZMZJTMJSA-N 0 0 269.360 3.245 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C3CC3)o2)c(Cl)c1 ZINC000840877935 635071292 /nfs/dbraw/zinc/07/12/92/635071292.db2.gz DKVYTIMWEYXTPP-UHFFFAOYSA-N 0 0 279.727 3.227 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2c2cccnc2)ccc(F)c1F ZINC000877524387 635072203 /nfs/dbraw/zinc/07/22/03/635072203.db2.gz WJJUFZNRWAAWDQ-CQSZACIVSA-N 0 0 290.313 3.403 20 10 CGCDRN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1csnn1 ZINC000840886186 635074215 /nfs/dbraw/zinc/07/42/15/635074215.db2.gz QYBGWSXPLUKTMB-MRTMQBJTSA-N 0 0 293.367 3.282 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cnn(C)c1C1CC1 ZINC000840938625 635085467 /nfs/dbraw/zinc/08/54/67/635085467.db2.gz PMEPZOOPZMGRRO-UHFFFAOYSA-N 0 0 284.407 3.284 20 10 CGCDRN CO[C@@](C)([C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000840960698 635094320 /nfs/dbraw/zinc/09/43/20/635094320.db2.gz LRYBDMPDWWTMMU-BMIGLBTASA-N 0 0 283.799 3.339 20 10 CGCDRN Cc1ccc(CNc2cccc([C@H]3CCC(=O)N3)c2)c(O)c1 ZINC000877590661 635105070 /nfs/dbraw/zinc/10/50/70/635105070.db2.gz CWVATEIEMZGKMM-MRXNPFEDSA-N 0 0 296.370 3.264 20 10 CGCDRN [O-]c1c(C[NH+]2CCC(c3ccon3)CC2)ccc(F)c1F ZINC000877638861 635126739 /nfs/dbraw/zinc/12/67/39/635126739.db2.gz QGCIGAFOOAJOCC-UHFFFAOYSA-N 0 0 294.301 3.038 20 10 CGCDRN Cc1ccc(CNc2cccc3c2OCC3)c(O)c1 ZINC000877650388 635131443 /nfs/dbraw/zinc/13/14/43/635131443.db2.gz ASGSCVXJFMZCKY-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN COCC1(C2CC2)C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877686685 635146454 /nfs/dbraw/zinc/14/64/54/635146454.db2.gz UHKYBAOZKFEERN-UHFFFAOYSA-N 0 0 299.773 3.043 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC000104262351 635148758 /nfs/dbraw/zinc/14/87/58/635148758.db2.gz PCGSXVBNEMUDHB-NNNHXZLVSA-N 0 0 282.318 3.384 20 10 CGCDRN C[C@@H](Cc1ccsc1)[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702556 635154241 /nfs/dbraw/zinc/15/42/41/635154241.db2.gz BHSWDWISSDQUFS-NSHDSACASA-N 0 0 259.374 3.401 20 10 CGCDRN CCc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)c1O ZINC000877702996 635154441 /nfs/dbraw/zinc/15/44/41/635154441.db2.gz NUIMOGFAKOKTMU-UHFFFAOYSA-N 0 0 269.344 3.176 20 10 CGCDRN C[C@H](NCc1coc(C2CC2)n1)c1ccccc1O ZINC000877757195 635185670 /nfs/dbraw/zinc/18/56/70/635185670.db2.gz NDELGKYLTXNRIN-JTQLQIEISA-N 0 0 258.321 3.108 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743993 635221847 /nfs/dbraw/zinc/22/18/47/635221847.db2.gz DVAKCUPCJQZEGZ-IINYFYTJSA-N 0 0 282.815 3.036 20 10 CGCDRN C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(Cl)cc1[O-] ZINC000841751938 635225377 /nfs/dbraw/zinc/22/53/77/635225377.db2.gz OWDHSDRZPDCXMA-NSHDSACASA-N 0 0 283.799 3.249 20 10 CGCDRN C[C@H](NC1(C(F)F)CC1)c1ccc(Cl)cc1O ZINC000841753864 635227731 /nfs/dbraw/zinc/22/77/31/635227731.db2.gz XPJOGXPMOBLWNH-ZETCQYMHSA-N 0 0 261.699 3.494 20 10 CGCDRN Cc1c(N[C@@H](C)c2ccc(Cl)cc2O)cnn1C ZINC000841755238 635228390 /nfs/dbraw/zinc/22/83/90/635228390.db2.gz XZYTWCHMKYDYJJ-QMMMGPOBSA-N 0 0 265.744 3.261 20 10 CGCDRN COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754965 635229024 /nfs/dbraw/zinc/22/90/24/635229024.db2.gz DYKIXSCOIIDVEP-MNOVXSKESA-N 0 0 271.788 3.369 20 10 CGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000841834486 635242751 /nfs/dbraw/zinc/24/27/51/635242751.db2.gz CETDTGZRBXFXQO-ZDUSSCGKSA-N 0 0 289.423 3.079 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)nn2C)cc1Cl ZINC000841866827 635245038 /nfs/dbraw/zinc/24/50/38/635245038.db2.gz KHRHDFXNGYZWPX-UHFFFAOYSA-N 0 0 279.771 3.027 20 10 CGCDRN CCC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCC1 ZINC000841956167 635252915 /nfs/dbraw/zinc/25/29/15/635252915.db2.gz XGTOELIUTYVWOR-MRXNPFEDSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000842926732 635513604 /nfs/dbraw/zinc/51/36/04/635513604.db2.gz BFSGBHUFTFUJNC-BBBLOLIVSA-N 0 0 289.297 3.239 20 10 CGCDRN CCCCO[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159309 635588850 /nfs/dbraw/zinc/58/88/50/635588850.db2.gz OSAMYAPNJCERLQ-NSHDSACASA-N 0 0 275.352 3.120 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccc(N)c1 ZINC000843357859 635653977 /nfs/dbraw/zinc/65/39/77/635653977.db2.gz RODOIUDSLUUWBN-UHFFFAOYSA-N 0 0 268.360 3.230 20 10 CGCDRN O=C(N(Cc1ccco1)Cc1ccccc1O)C1(F)CC1 ZINC000843819912 635784618 /nfs/dbraw/zinc/78/46/18/635784618.db2.gz GUSZLFIAGBTNJT-UHFFFAOYSA-N 0 0 289.306 3.016 20 10 CGCDRN CC(C)[C@@H]1N(C(=O)C2=CC(=O)CS2)CC12CC=CC2 ZINC000844154393 635828627 /nfs/dbraw/zinc/82/86/27/635828627.db2.gz YTYZPGBGGAVRAT-ZDUSSCGKSA-N 0 0 277.389 3.271 20 10 CGCDRN CC(C)[C@H]1N(C(=O)C2=CC(=O)CS2)CC12CC=CC2 ZINC000844154392 635828782 /nfs/dbraw/zinc/82/87/82/635828782.db2.gz YTYZPGBGGAVRAT-CYBMUJFWSA-N 0 0 277.389 3.271 20 10 CGCDRN COc1ccc(N(C)CCCNC(=O)OC(C)(C)C)cc1 ZINC000844355753 635878259 /nfs/dbraw/zinc/87/82/59/635878259.db2.gz SGPCFESCDGEHQR-UHFFFAOYSA-N 0 0 294.395 3.046 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1c[nH]cc1C1CC1 ZINC000880540001 636017715 /nfs/dbraw/zinc/01/77/15/636017715.db2.gz OLFOFQWNDMMEJT-UHFFFAOYSA-N 0 0 290.750 3.181 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@@H]1C[C@H]1C1CCC1 ZINC000845506460 636041675 /nfs/dbraw/zinc/04/16/75/636041675.db2.gz NELIERARUANYCO-NWDGAFQWSA-N 0 0 296.461 3.178 20 10 CGCDRN O=C1NC(=S)S/C1=C\c1cnc(C2CCCC2)s1 ZINC000128672115 636055921 /nfs/dbraw/zinc/05/59/21/636055921.db2.gz OECBNKFICZXCLX-UITAMQMPSA-N 0 0 296.442 3.290 20 10 CGCDRN Cc1nc(C(C)C)ncc1C(=O)N[C@H](C)c1ccccc1O ZINC000881440468 636109775 /nfs/dbraw/zinc/10/97/75/636109775.db2.gz CDHGOZPGHJQJHL-LLVKDONJSA-N 0 0 299.374 3.105 20 10 CGCDRN C[C@H](NC(=O)c1ncsc1C1CC1)c1ccccc1O ZINC000881440942 636109783 /nfs/dbraw/zinc/10/97/83/636109783.db2.gz RJXYOZYNRMMVDP-VIFPVBQESA-N 0 0 288.372 3.217 20 10 CGCDRN CN(C)c1ccc(CNc2ncnc3c2CCCC3)cc1 ZINC000129109749 636151961 /nfs/dbraw/zinc/15/19/61/636151961.db2.gz INXKWSBXBJTZHW-UHFFFAOYSA-N 0 0 282.391 3.034 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846216936 636160210 /nfs/dbraw/zinc/16/02/10/636160210.db2.gz YGUZAEVQBOFKNQ-NSHDSACASA-N 0 0 288.347 3.115 20 10 CGCDRN C[C@@]1(CCNC(=O)Nc2ccc(N)cc2)C[C@]1(F)Cl ZINC000846310929 636175213 /nfs/dbraw/zinc/17/52/13/636175213.db2.gz RTNFOIHRFPESBY-CHWSQXEVSA-N 0 0 285.750 3.095 20 10 CGCDRN C[C@H]1CC[C@H](CCC(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474800 636188164 /nfs/dbraw/zinc/18/81/64/636188164.db2.gz BVWKHCCINDQIJQ-GXFFZTMASA-N 0 0 297.782 3.010 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(n2)C(=O)CC3)cc1F ZINC000881866576 636209595 /nfs/dbraw/zinc/20/95/95/636209595.db2.gz PJWFDWROFUBVHH-UHFFFAOYSA-N 0 0 299.349 3.028 20 10 CGCDRN COc1ccc(N2CC[C@H](CNc3nccs3)C2)cc1 ZINC000846752145 636226053 /nfs/dbraw/zinc/22/60/53/636226053.db2.gz DOWWUBOKSVJCGR-GFCCVEGCSA-N 0 0 289.404 3.090 20 10 CGCDRN CN(CCCCCO)c1ccc(-c2nccs2)cc1 ZINC000846991433 636302623 /nfs/dbraw/zinc/30/26/23/636302623.db2.gz KBQQOQFIOUAJMW-UHFFFAOYSA-N 0 0 276.405 3.409 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCNc1ccccc1 ZINC000883011742 636505226 /nfs/dbraw/zinc/50/52/26/636505226.db2.gz HVPJUPOIIBTGOT-UHFFFAOYSA-N 0 0 292.329 3.262 20 10 CGCDRN CCc1cnccc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883082828 636534422 /nfs/dbraw/zinc/53/44/22/636534422.db2.gz SCRTYPHDTWCIDU-JTQLQIEISA-N 0 0 292.329 3.479 20 10 CGCDRN CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883140451 636553944 /nfs/dbraw/zinc/55/39/44/636553944.db2.gz UEZLWULDBHKABV-ZIAGYGMSSA-N 0 0 285.334 3.108 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000883146528 636554961 /nfs/dbraw/zinc/55/49/61/636554961.db2.gz PIPVMCUYOBEPLI-ZYHUDNBSSA-N 0 0 259.271 3.041 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000883161049 636559225 /nfs/dbraw/zinc/55/92/25/636559225.db2.gz IREGCVHFNRXUTQ-HUUCEWRRSA-N 0 0 297.345 3.108 20 10 CGCDRN Oc1ccc(Cl)cc1CNC1(c2ncccn2)CCC1 ZINC000883307111 636659755 /nfs/dbraw/zinc/65/97/55/636659755.db2.gz MHSIGBWWUZWIIQ-UHFFFAOYSA-N 0 0 289.766 3.005 20 10 CGCDRN CCc1cccc(CN(C)Cc2cscn2)c1O ZINC000848883903 636673088 /nfs/dbraw/zinc/67/30/88/636673088.db2.gz UIOLEZAXHXHMOL-UHFFFAOYSA-N 0 0 262.378 3.043 20 10 CGCDRN CCc1cccc(CNc2ccc3c(c2)CCC(=O)N3)c1O ZINC000848891573 636678145 /nfs/dbraw/zinc/67/81/45/636678145.db2.gz TVEAAVLCJKFMEL-UHFFFAOYSA-N 0 0 296.370 3.451 20 10 CGCDRN CCc1cccc(CNc2cccc3c2CN(C)C3=O)c1O ZINC000848916601 636689846 /nfs/dbraw/zinc/68/98/46/636689846.db2.gz KLOOENRAKFCUNU-UHFFFAOYSA-N 0 0 296.370 3.152 20 10 CGCDRN C[C@@H](N[C@@H](C)c1cc(Br)ccc1O)C(F)F ZINC000883399209 636739794 /nfs/dbraw/zinc/73/97/94/636739794.db2.gz HJWKOZQYYZXMEB-NKWVEPMBSA-N 0 0 294.139 3.459 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000883582028 636796689 /nfs/dbraw/zinc/79/66/89/636796689.db2.gz LDXBEGPZOGHLNJ-ZIAGYGMSSA-N 0 0 287.407 3.079 20 10 CGCDRN C=C/C=C\CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000883581644 636796971 /nfs/dbraw/zinc/79/69/71/636796971.db2.gz BPUMLDLBBVADFI-LMVHVUTASA-N 0 0 287.407 3.245 20 10 CGCDRN CCCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132426345 636808118 /nfs/dbraw/zinc/80/81/18/636808118.db2.gz GRYBPNJJKPDFCO-UHFFFAOYSA-N 0 0 272.186 3.387 20 10 CGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)CC(C)(C)O1 ZINC000133102566 636872775 /nfs/dbraw/zinc/87/27/75/636872775.db2.gz VHVHKZBAHPSMGR-JTQLQIEISA-N 0 0 269.772 3.045 20 10 CGCDRN COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(N)cc1)C2 ZINC000884009011 636899285 /nfs/dbraw/zinc/89/92/85/636899285.db2.gz IWMIRLNPURZOOT-AWEZNQCLSA-N 0 0 296.370 3.021 20 10 CGCDRN CC(C)[C@H](Sc1ncc(Cl)s1)C(=O)N(C)C ZINC000849998629 636923942 /nfs/dbraw/zinc/92/39/42/636923942.db2.gz HCSDZTTZBURPRT-QMMMGPOBSA-N 0 0 278.830 3.001 20 10 CGCDRN CC(C)N1CCC[C@@H](Sc2ncc(Cl)s2)C1=O ZINC000850000078 636924873 /nfs/dbraw/zinc/92/48/73/636924873.db2.gz ILZKQGPDSUIXHS-MRVPVSSYSA-N 0 0 290.841 3.288 20 10 CGCDRN CCOC(=O)[C@H](Sc1ncc(Cl)s1)C(C)C ZINC000849999388 636925067 /nfs/dbraw/zinc/92/50/67/636925067.db2.gz QKDYITSUQPXTLU-MRVPVSSYSA-N 0 0 279.814 3.476 20 10 CGCDRN Cc1c[nH]c(CNc2ccccc2OCC2CC2)n1 ZINC000850155192 636968459 /nfs/dbraw/zinc/96/84/59/636968459.db2.gz PLPLEXDQJNBDGK-UHFFFAOYSA-N 0 0 257.337 3.119 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccccc1Cl ZINC000133743250 636973411 /nfs/dbraw/zinc/97/34/11/636973411.db2.gz VSHDFOUXFZNPTE-UHFFFAOYSA-N 0 0 276.723 3.367 20 10 CGCDRN CCOc1cccc(CNc2ccc3c(c2)CCOC3)c1O ZINC000850382352 637040323 /nfs/dbraw/zinc/04/03/23/637040323.db2.gz SOCNYGQVCMTYKO-UHFFFAOYSA-N 0 0 299.370 3.476 20 10 CGCDRN CC[C@H](C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850505102 637093340 /nfs/dbraw/zinc/09/33/40/637093340.db2.gz MQXXNMREMGWMPX-QWRGUYRKSA-N 0 0 266.341 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850536538 637112674 /nfs/dbraw/zinc/11/26/74/637112674.db2.gz KZMVBLBPNFZSOP-JMCQJSRRSA-N 0 0 277.261 3.366 20 10 CGCDRN C[C@@H]([NH2+]C1CC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850576521 637130981 /nfs/dbraw/zinc/13/09/81/637130981.db2.gz NWHMMHNZWDENAF-SECBINFHSA-N 0 0 264.325 3.140 20 10 CGCDRN Cc1cccc(COC(=O)c2ccc(C)c(O)c2O)c1 ZINC000110002166 637408943 /nfs/dbraw/zinc/40/89/43/637408943.db2.gz APDDELFNOZWXOL-UHFFFAOYSA-N 0 0 272.300 3.072 20 10 CGCDRN COc1ccc(N(C)CCOC(F)F)cc1Cl ZINC000851809891 637510828 /nfs/dbraw/zinc/51/08/28/637510828.db2.gz ZCTIWGZOROUKSS-UHFFFAOYSA-N 0 0 265.687 3.024 20 10 CGCDRN CCN(Cc1coc(C)n1)c1ccc(OC)c(OC)c1 ZINC000851828501 637516720 /nfs/dbraw/zinc/51/67/20/637516720.db2.gz QSXNDVIQWAQNMH-UHFFFAOYSA-N 0 0 276.336 3.027 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1c([O-])cccc1F ZINC000886508565 637545828 /nfs/dbraw/zinc/54/58/28/637545828.db2.gz FMPCUPIADIHCIF-SNVBAGLBSA-N 0 0 289.306 3.111 20 10 CGCDRN C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886516803 637550009 /nfs/dbraw/zinc/55/00/09/637550009.db2.gz YUABHCHQDLUCDE-IUCAKERBSA-N 0 0 295.276 3.149 20 10 CGCDRN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886534852 637560065 /nfs/dbraw/zinc/56/00/65/637560065.db2.gz QBYQIOYSJHCVFZ-QWHCGFSZSA-N 0 0 283.387 3.227 20 10 CGCDRN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886542559 637567154 /nfs/dbraw/zinc/56/71/54/637567154.db2.gz BQYPAMGVMPUGLC-SLEUVZQESA-N 0 0 281.371 3.386 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1c([O-])cccc1F ZINC000886541508 637567166 /nfs/dbraw/zinc/56/71/66/637567166.db2.gz XHHYKKNZEYPTDH-SNVBAGLBSA-N 0 0 294.757 3.473 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1c([O-])cccc1F ZINC000886610462 637602851 /nfs/dbraw/zinc/60/28/51/637602851.db2.gz BRLHRVAOQOBUMS-PRXAMGSTSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1c([O-])cccc1F ZINC000886631665 637619395 /nfs/dbraw/zinc/61/93/95/637619395.db2.gz SYYZLXRFJKWKMC-DIFFPNOSSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886635168 637621954 /nfs/dbraw/zinc/62/19/54/637621954.db2.gz XSJLMPCHJWTXLO-VXGBXAGGSA-N 0 0 274.339 3.208 20 10 CGCDRN CCSC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886637987 637623487 /nfs/dbraw/zinc/62/34/87/637623487.db2.gz JUPYZSPZEGUMCB-JTQLQIEISA-N 0 0 269.385 3.468 20 10 CGCDRN CCn1ncc(N[C@@H](C)c2c(O)cccc2F)c1C ZINC000886650500 637629308 /nfs/dbraw/zinc/62/93/08/637629308.db2.gz XYSVBOVZQLDAGC-VIFPVBQESA-N 0 0 263.316 3.229 20 10 CGCDRN CC[C@@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000852490928 637662493 /nfs/dbraw/zinc/66/24/93/637662493.db2.gz QQEXOYLIVVLVMY-VXGBXAGGSA-N 0 0 294.395 3.197 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1c([O-])cccc1F ZINC000886703212 637665923 /nfs/dbraw/zinc/66/59/23/637665923.db2.gz PEGFKOYUGCZNBL-VXGBXAGGSA-N 0 0 279.355 3.141 20 10 CGCDRN Nc1ccc(CCNC(=O)C2CCC(C3CC3)CC2)cc1 ZINC000852797573 637714962 /nfs/dbraw/zinc/71/49/62/637714962.db2.gz WQJQWBKGBAEMQR-UHFFFAOYSA-N 0 0 286.419 3.144 20 10 CGCDRN c1csc(Sc2nc(C3CCOCC3)ns2)n1 ZINC000853228825 637787918 /nfs/dbraw/zinc/78/79/18/637787918.db2.gz UJWNGFIOVMYFAE-UHFFFAOYSA-N 0 0 285.419 3.040 20 10 CGCDRN CCc1nsc(Sc2ncc(Cl)s2)n1 ZINC000853964965 637965148 /nfs/dbraw/zinc/96/51/48/637965148.db2.gz UFKBYAOPGHBNKI-UHFFFAOYSA-N 0 0 263.800 3.362 20 10 CGCDRN Cc1cc(CC(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC000854123976 637990170 /nfs/dbraw/zinc/99/01/70/637990170.db2.gz LLKVBTVVLVBNOO-UHFFFAOYSA-N 0 0 282.387 3.259 20 10 CGCDRN C[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000112001854 638024125 /nfs/dbraw/zinc/02/41/25/638024125.db2.gz AYGKDQATBHXYAI-HNNXBMFYSA-N 0 0 296.414 3.248 20 10 CGCDRN C[C@H]1CCc2ccccc2N1C(=O)C1=CC(=O)CS1 ZINC000854323996 638043309 /nfs/dbraw/zinc/04/33/09/638043309.db2.gz YAPPOWDQLQYUKS-JTQLQIEISA-N 0 0 273.357 3.435 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC(C2CCC2)CC1 ZINC000855437271 638198061 /nfs/dbraw/zinc/19/80/61/638198061.db2.gz DJNYABLGJGOVBY-UHFFFAOYSA-N 0 0 265.378 3.106 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(N)ccn1)c1cc(Cl)ccc1O ZINC000925765356 638600898 /nfs/dbraw/zinc/60/08/98/638600898.db2.gz AVOIEFXRSYIPCK-AWEZNQCLSA-N 0 0 291.782 3.264 20 10 CGCDRN CCCN(CCC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115855180 638627017 /nfs/dbraw/zinc/62/70/17/638627017.db2.gz HINIXIWDLHOSSR-UHFFFAOYSA-N 0 0 291.439 3.393 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C)CC1 ZINC000115855923 638627253 /nfs/dbraw/zinc/62/72/53/638627253.db2.gz CCFMPTOMAJZMRI-UHFFFAOYSA-N 0 0 289.423 3.003 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)CCC(C)C)c1 ZINC000858108874 638630387 /nfs/dbraw/zinc/63/03/87/638630387.db2.gz MMIIGYTVTVBUPY-ZDUSSCGKSA-N 0 0 278.396 3.325 20 10 CGCDRN CCC(F)(F)CNC/C=C\c1ccc(N(C)C)cc1 ZINC000858258314 638665671 /nfs/dbraw/zinc/66/56/71/638665671.db2.gz CJEBKHYMWZVIKC-WAYWQWQTSA-N 0 0 268.351 3.401 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000858529685 638755978 /nfs/dbraw/zinc/75/59/78/638755978.db2.gz NYUUCKXEDAYOJM-AXNWQNLUSA-N 0 0 285.334 3.133 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000929531099 638930862 /nfs/dbraw/zinc/93/08/62/638930862.db2.gz GXYXJCVWVVOKPM-XYJQFASLSA-N 0 0 298.430 3.003 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858578385 638997109 /nfs/dbraw/zinc/99/71/09/638997109.db2.gz VBPXGIAIKBLJGS-BDAKNGLRSA-N 0 0 293.348 3.169 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cocc1C ZINC000858827278 639024976 /nfs/dbraw/zinc/02/49/76/639024976.db2.gz ZSQCGMSDDNIPNO-UHFFFAOYSA-N 0 0 286.375 3.316 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCCC12CC2 ZINC000859351602 639131605 /nfs/dbraw/zinc/13/16/05/639131605.db2.gz HDWBGVJHGZWGON-NSHDSACASA-N 0 0 296.461 3.322 20 10 CGCDRN CCN(C)c1ccc(CN[C@H](c2ncccn2)C2CC2)cc1 ZINC000932355761 639320437 /nfs/dbraw/zinc/32/04/37/639320437.db2.gz ZKRXOQHLTIIHPL-KRWDZBQOSA-N 0 0 296.418 3.174 20 10 CGCDRN CCC[C@@H](OCC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000860950095 639473086 /nfs/dbraw/zinc/47/30/86/639473086.db2.gz INQCKLVUHVCXSE-XJKSGUPXSA-N 0 0 292.423 3.135 20 10 CGCDRN CC(C)(C)/C=C/C(=O)NCc1ccc2cccnc2c1O ZINC000862027670 639636551 /nfs/dbraw/zinc/63/65/51/639636551.db2.gz BKQKNAWEABNZKQ-CMDGGOBGSA-N 0 0 284.359 3.159 20 10 CGCDRN COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)c(O)c1 ZINC000040906421 639898403 /nfs/dbraw/zinc/89/84/03/639898403.db2.gz BWOAJVOCIJUUDD-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(F)cc1Cl ZINC000042117069 639910825 /nfs/dbraw/zinc/91/08/25/639910825.db2.gz RKJGIIFVEXQBDC-UHFFFAOYSA-N 0 0 293.725 3.457 20 10 CGCDRN Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000159027159 640027888 /nfs/dbraw/zinc/02/78/88/640027888.db2.gz YKQNXSGVZKRGGP-ZDUSSCGKSA-N 0 0 299.370 3.216 20 10 CGCDRN COc1c(C)cc(/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000049097231 640082857 /nfs/dbraw/zinc/08/28/57/640082857.db2.gz ZVJAEEKDPKTYRW-XFFZJAGNSA-N 0 0 293.413 3.143 20 10 CGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)c2cccnc12 ZINC000188120197 640120720 /nfs/dbraw/zinc/12/07/20/640120720.db2.gz GUFADBQUHKUPTJ-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN Cn1ccc2cccc(NCc3cc4c(cc3O)OCO4)c21 ZINC000190905293 640277132 /nfs/dbraw/zinc/27/71/32/640277132.db2.gz XIFXKGUFDOXCQZ-UHFFFAOYSA-N 0 0 296.326 3.225 20 10 CGCDRN CS[C@@H](C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000191466814 640312914 /nfs/dbraw/zinc/31/29/14/640312914.db2.gz BFIFMQFBAFTAMY-ZETCQYMHSA-N 0 0 263.765 3.026 20 10 CGCDRN O=C(NCCCSc1nccs1)c1cccc(F)c1 ZINC000078713458 640335232 /nfs/dbraw/zinc/33/52/32/640335232.db2.gz FOMLHORSSVAVBX-UHFFFAOYSA-N 0 0 296.392 3.194 20 10 CGCDRN CC[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000079390410 640398215 /nfs/dbraw/zinc/39/82/15/640398215.db2.gz ZMDNIELCAVEWSZ-CYBMUJFWSA-N 0 0 262.397 3.195 20 10 CGCDRN CCN(CC(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195200770 640570670 /nfs/dbraw/zinc/57/06/70/640570670.db2.gz JVWWHLJATNVZSQ-UHFFFAOYSA-N 0 0 295.402 3.079 20 10 CGCDRN C[N@H+](CCC1CC1)Cc1cccc(Br)c1[O-] ZINC000092067162 640730690 /nfs/dbraw/zinc/73/06/90/640730690.db2.gz JIIZTEAMNWFZRA-UHFFFAOYSA-N 0 0 284.197 3.387 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCC[C@@H](C)C2)c(O)c1 ZINC000248520915 640765105 /nfs/dbraw/zinc/76/51/05/640765105.db2.gz RGYFHDBCDHRAPY-OAGGEKHMSA-N 0 0 290.451 3.472 20 10 CGCDRN CC1(C)Cc2c(cccc2C(=O)NCc2ccccc2O)O1 ZINC001155749036 805609690 /nfs/dbraw/zinc/60/96/90/805609690.db2.gz YSEWVOCJJGBERK-UHFFFAOYSA-N 0 0 297.354 3.036 20 10 CGCDRN Cc1nc(N(C)Cc2ccc(N(C)C)cc2)ccc1F ZINC001156920526 805753373 /nfs/dbraw/zinc/75/33/73/805753373.db2.gz ATUICVGYMXATBM-UHFFFAOYSA-N 0 0 273.355 3.232 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ncc3c(n2)CCCC3)cc1 ZINC001156927791 805754251 /nfs/dbraw/zinc/75/42/51/805754251.db2.gz LRILHANHEHXHNP-UHFFFAOYSA-N 0 0 296.418 3.058 20 10 CGCDRN C/C=C/C=C\C(=O)NCc1c(O)ccc2ccccc21 ZINC001157037735 805767699 /nfs/dbraw/zinc/76/76/99/805767699.db2.gz XDEQVMJSSWSYCQ-OQIXSKIXSA-N 0 0 267.328 3.294 20 10 CGCDRN Cc1csc2cnc(NCc3ccc(O)c(O)c3)nc12 ZINC001158997587 806028798 /nfs/dbraw/zinc/02/87/98/806028798.db2.gz LEBWUVYYAXIVBA-UHFFFAOYSA-N 0 0 287.344 3.023 20 10 CGCDRN Oc1ccc(CNc2cc(Cl)cc(Cl)n2)cc1O ZINC001158994287 806027792 /nfs/dbraw/zinc/02/77/92/806027792.db2.gz FVJXITBSBJCFAA-UHFFFAOYSA-N 0 0 285.130 3.412 20 10 CGCDRN Cc1nccc(Br)c1Nc1ccc(N)cc1 ZINC001159233179 806062933 /nfs/dbraw/zinc/06/29/33/806062933.db2.gz KKIZKXRPSLTNKK-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN CCOC(=O)c1ccc(F)cc1Nc1ccc(N)cc1 ZINC001159636372 806137060 /nfs/dbraw/zinc/13/70/60/806137060.db2.gz MNLGNSSHANLNNX-UHFFFAOYSA-N 0 0 274.295 3.328 20 10 CGCDRN COC(=O)c1c(F)cc(F)cc1Nc1ccc(N)cc1 ZINC001159733658 806163491 /nfs/dbraw/zinc/16/34/91/806163491.db2.gz RVQSQWKLSRHRBQ-UHFFFAOYSA-N 0 0 278.258 3.077 20 10 CGCDRN Cc1cc(C)c(CNc2nnc(Cl)cc2F)c(O)c1 ZINC001160810258 806305652 /nfs/dbraw/zinc/30/56/52/806305652.db2.gz OEJNHUDJSOJTME-UHFFFAOYSA-N 0 0 281.718 3.204 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(C4CC4)o3)cc2)c1 ZINC001254049509 806334853 /nfs/dbraw/zinc/33/48/53/806334853.db2.gz YRUHZFZESZUIRW-UHFFFAOYSA-N 0 0 251.289 3.405 20 10 CGCDRN Oc1ccc(/C=C/c2nnc(-c3cccc(F)c3)o2)cc1O ZINC001254161697 806355604 /nfs/dbraw/zinc/35/56/04/806355604.db2.gz VNWOSPYDXWTJJP-FNORWQNLSA-N 0 0 298.273 3.457 20 10 CGCDRN CCc1nnc(-c2cc(-n3c(C)ccc3C)ccc2O)o1 ZINC001255132270 806549897 /nfs/dbraw/zinc/54/98/97/806549897.db2.gz OGGVMPUHOLXYBN-UHFFFAOYSA-N 0 0 283.331 3.412 20 10 CGCDRN COc1c(C)ccc(NC(=O)Cc2ccc(N)cc2)c1C ZINC000037003505 798855538 /nfs/dbraw/zinc/85/55/38/798855538.db2.gz QNSLBNXFICGZKI-UHFFFAOYSA-N 0 0 284.359 3.075 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000037328736 798866276 /nfs/dbraw/zinc/86/62/76/798866276.db2.gz ZXSGDBIVDCJGSR-SNVBAGLBSA-N 0 0 267.344 3.210 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN(C)CC(F)(F)F)c1O ZINC000037665036 798871619 /nfs/dbraw/zinc/87/16/19/798871619.db2.gz WWNVVLGJDLEKNN-UHFFFAOYSA-N 0 0 295.688 3.242 20 10 CGCDRN CN(Cc1ccccc1Cl)C(=O)Cc1ccc(N)cc1 ZINC000037798651 798874739 /nfs/dbraw/zinc/87/47/39/798874739.db2.gz PSPOHHYUHDXHMM-UHFFFAOYSA-N 0 0 288.778 3.123 20 10 CGCDRN Cc1cc(Br)cnc1Nc1ccc(N)cc1 ZINC000086707150 798945208 /nfs/dbraw/zinc/94/52/08/798945208.db2.gz CJRJHHIUTAGOHP-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(F)c2)cc1OC ZINC000140293563 799043402 /nfs/dbraw/zinc/04/34/02/799043402.db2.gz KYURPZQJFWFJQL-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN CC[C@H]1CC[C@H](C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000381077085 799371954 /nfs/dbraw/zinc/37/19/54/799371954.db2.gz SUDKRPLPRZQGEA-JOCQHMNTSA-N 0 0 260.381 3.448 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000588406874 799689383 /nfs/dbraw/zinc/68/93/83/799689383.db2.gz CQYYYSMHXFUIGB-VURMDHGXSA-N 0 0 295.338 3.009 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000689225084 799763043 /nfs/dbraw/zinc/76/30/43/799763043.db2.gz NBDMCFFXUGOEST-PRHODGIISA-N 0 0 259.271 3.227 20 10 CGCDRN CCSC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000691799924 799786687 /nfs/dbraw/zinc/78/66/87/799786687.db2.gz IGVQMQBQLYADEP-SNVBAGLBSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@H]1CC[C@@](C)(C(=O)NCc2ccccc2O)C1(C)C ZINC000699042054 799858122 /nfs/dbraw/zinc/85/81/22/799858122.db2.gz KVLOQBMEULAMBT-SJCJKPOMSA-N 0 0 275.392 3.471 20 10 CGCDRN [O-]c1c(CNc2cccc(F)c2)ccc(F)c1F ZINC000700721050 799877208 /nfs/dbraw/zinc/87/72/08/799877208.db2.gz LYIBCQVEQSYDBK-UHFFFAOYSA-N 0 0 253.223 3.422 20 10 CGCDRN O=C(CCc1ccccc1Cl)NCc1ccccc1O ZINC000701117847 799884044 /nfs/dbraw/zinc/88/40/44/799884044.db2.gz IBZKMUUJPNQOQU-UHFFFAOYSA-N 0 0 289.762 3.295 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(F)cc1[O-] 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Nc1ccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000716061689 800164111 /nfs/dbraw/zinc/16/41/11/800164111.db2.gz CUXSGEHNATYIAX-FTNCPSPGSA-N 0 0 291.420 3.065 20 10 CGCDRN Clc1cnc(CNCc2ccc3c(c2)CCO3)s1 ZINC000719396539 800238707 /nfs/dbraw/zinc/23/87/07/800238707.db2.gz WDPXIQBMQLVGEH-UHFFFAOYSA-N 0 0 280.780 3.021 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CCCOC1 ZINC000724013651 800353845 /nfs/dbraw/zinc/35/38/45/800353845.db2.gz QZMONXRAJRZAQX-HUBLWGQQSA-N 0 0 281.371 3.387 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000822060677 800458938 /nfs/dbraw/zinc/45/89/38/800458938.db2.gz VNLHXQQQZTXVFK-FZMZJTMJSA-N 0 0 251.757 3.468 20 10 CGCDRN CC1(C)CCC(=CC(=O)NCc2ccc(O)cc2O)CC1 ZINC000827792120 800479439 /nfs/dbraw/zinc/47/94/39/800479439.db2.gz LHIVQMBWEFBNTA-UHFFFAOYSA-N 0 0 289.375 3.241 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761821 800560169 /nfs/dbraw/zinc/56/01/69/800560169.db2.gz ZAUFRIDBJWUAOU-JQWIXIFHSA-N 0 0 281.783 3.488 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Cn1ccc(-c2ccc(-c3ccnc4c3ccn4C)cn2)n1 ZINC001245205200 803663294 /nfs/dbraw/zinc/66/32/94/803663294.db2.gz MSIUVVJDSMCQKZ-UHFFFAOYSA-N 0 0 289.342 3.036 20 10 CGCDRN Oc1cccc(F)c1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001137831550 803777568 /nfs/dbraw/zinc/77/75/68/803777568.db2.gz DOZOITXKPJECTJ-GFCCVEGCSA-N 0 0 277.261 3.101 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CCC2)CC1 ZINC001139681410 804249108 /nfs/dbraw/zinc/24/91/08/804249108.db2.gz QHUBPMGRUUSCNI-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001139680719 804250831 /nfs/dbraw/zinc/25/08/31/804250831.db2.gz AKRCCUYCDSDUAW-DTORHVGOSA-N 0 0 289.272 3.148 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001139684532 804252909 /nfs/dbraw/zinc/25/29/09/804252909.db2.gz YFAYQJRZRSKAFL-GFCCVEGCSA-N 0 0 290.313 3.055 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCc2occc2C1 ZINC001140341822 804420530 /nfs/dbraw/zinc/42/05/30/804420530.db2.gz IZQASRMTWZVXKH-UHFFFAOYSA-N 0 0 263.724 3.197 20 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CGCDRN Cc1snnc1-c1nc(-c2ccc3occc3c2)no1 ZINC001212405184 815021232 /nfs/dbraw/zinc/02/12/32/815021232.db2.gz JSSRKAQOFOJACC-UHFFFAOYSA-N 0 0 284.300 3.310 20 10 CGCDRN CC(C)[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)CCO1 ZINC001140926685 804551187 /nfs/dbraw/zinc/55/11/87/804551187.db2.gz QEBHVSGOVSVCBV-INIZCTEOSA-N 0 0 296.842 3.263 20 10 CGCDRN Cc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001140950716 804559070 /nfs/dbraw/zinc/55/90/70/804559070.db2.gz FICIFILVVZEKJS-LBPRGKRZSA-N 0 0 255.308 3.178 20 10 CGCDRN Oc1ccc(O)c(CN2CCc3cc(Cl)ccc3C2)c1 ZINC001141160674 804602221 /nfs/dbraw/zinc/60/22/21/804602221.db2.gz GZCQDBQJYSXQTH-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN CC/C=C(/F)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001141869075 804675231 /nfs/dbraw/zinc/67/52/31/804675231.db2.gz SWXPCXBIUSXUDK-VIZOYTHASA-N 0 0 278.371 3.412 20 10 CGCDRN CC[N@H+](Cc1ccncc1)Cc1cc(F)c(F)cc1[O-] ZINC001142502729 804726814 /nfs/dbraw/zinc/72/68/14/804726814.db2.gz VVFXTIGDDIQDQO-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001142520472 804729971 /nfs/dbraw/zinc/72/99/71/804729971.db2.gz KCTOUYWOUCEQIH-HNNXBMFYSA-N 0 0 290.313 3.403 20 10 CGCDRN C[C@H]1CCCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142520458 804730193 /nfs/dbraw/zinc/73/01/93/804730193.db2.gz JXSVTAFKYMGIQD-JTQLQIEISA-N 0 0 255.308 3.435 20 10 CGCDRN CC[C@@H](F)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001144977343 805061423 /nfs/dbraw/zinc/06/14/23/805061423.db2.gz HCYLBTBFEYDHKZ-GFCCVEGCSA-N 0 0 284.350 3.036 20 10 CGCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c(C)o1 ZINC001146233562 805063617 /nfs/dbraw/zinc/06/36/17/805063617.db2.gz WBUKJCCZFWCWEW-UHFFFAOYSA-N 0 0 279.723 3.185 20 10 CGCDRN Cc1ccc(CC(=O)NCc2cc(Cl)ccc2O)s1 ZINC001146231811 805064622 /nfs/dbraw/zinc/06/46/22/805064622.db2.gz ICPAGILKYLJHLT-UHFFFAOYSA-N 0 0 295.791 3.274 20 10 CGCDRN Nc1ccc(Nc2cccc(O)c2O)c(Cl)c1 ZINC001249736667 805231358 /nfs/dbraw/zinc/23/13/58/805231358.db2.gz OMQIKLPTHLXVNK-UHFFFAOYSA-N 0 0 250.685 3.077 20 10 CGCDRN 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Cc1ccncc1/C=C/C(=O)N(C)c1ccc(O)c(C)c1 ZINC001454642031 937410965 /nfs/dbraw/zinc/41/09/65/937410965.db2.gz OCOCATPBCLLKCV-QPJJXVBHSA-N 0 0 282.343 3.080 20 10 CGCDRN CCc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001455035661 937414230 /nfs/dbraw/zinc/41/42/30/937414230.db2.gz BKRKMWONRFKIAO-UHFFFAOYSA-N 0 0 267.328 3.111 20 10 CGCDRN C[C@H](NC(=O)/C=C/COc1ccccc1)c1ccccc1O ZINC001454820505 937412827 /nfs/dbraw/zinc/41/28/27/937412827.db2.gz RTLNWMKJTWHPCJ-GMMCIKNFSA-N 0 0 297.354 3.205 20 10 CGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC001455937326 937423211 /nfs/dbraw/zinc/42/32/11/937423211.db2.gz CSDKYUDVSNHPFF-VOTSOKGWSA-N 0 0 295.386 3.030 20 10 CGCDRN CCOc1nc(Sc2nccs2)ncc1Cl ZINC001458116618 937451531 /nfs/dbraw/zinc/45/15/31/937451531.db2.gz AWFYTXITYLYNDD-UHFFFAOYSA-N 0 0 273.770 3.136 20 10 CGCDRN Cc1cc(CNc2ncccn2)c(C)n1-c1ccccc1 ZINC001458534556 937467684 /nfs/dbraw/zinc/46/76/84/937467684.db2.gz ZQKVNNWFVUBVOZ-UHFFFAOYSA-N 0 0 278.359 3.496 20 10 CGCDRN 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ZINC001305083800 932861359 /nfs/dbraw/zinc/86/13/59/932861359.db2.gz DGZTYRBDVCSGNG-VOTSOKGWSA-N 0 0 293.775 3.437 20 10 CGCDRN COC(=O)c1cnc(SCCCC(C)C)s1 ZINC001307348536 932943024 /nfs/dbraw/zinc/94/30/24/932943024.db2.gz VWZGEZKKNUPYSL-UHFFFAOYSA-N 0 0 259.396 3.458 20 10 CGCDRN C=C/C=C/CCOc1ccc(N(C)C)c(C(=O)OC)c1 ZINC001307388663 932946245 /nfs/dbraw/zinc/94/62/45/932946245.db2.gz HGMYBRIXLJZGJL-VOTSOKGWSA-N 0 0 275.348 3.050 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CCO[C@@H]1C ZINC001307592290 932973200 /nfs/dbraw/zinc/97/32/00/932973200.db2.gz YJKIGLHBHBPQHF-UKRRQHHQSA-N 0 0 275.392 3.263 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC001462537131 937648436 /nfs/dbraw/zinc/64/84/36/937648436.db2.gz YADNUUZYYYPJQQ-UHFFFAOYSA-N 0 0 288.297 3.442 20 10 CGCDRN Fc1cccnc1CNCc1ccc(N2CCCC2)cc1 ZINC001308393470 933104927 /nfs/dbraw/zinc/10/49/27/933104927.db2.gz VTDYEWWDAQEVOE-UHFFFAOYSA-N 0 0 285.366 3.111 20 10 CGCDRN Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1O ZINC001465891607 937704520 /nfs/dbraw/zinc/70/45/20/937704520.db2.gz WYRVVVONTGXBGM-UHFFFAOYSA-N 0 0 298.302 3.115 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC001468510641 937728916 /nfs/dbraw/zinc/72/89/16/937728916.db2.gz VZXIDGWYRIRJBT-NEPJUHHUSA-N 0 0 277.364 3.044 20 10 CGCDRN CONC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001321566188 934195674 /nfs/dbraw/zinc/19/56/74/934195674.db2.gz MNQONBWEYVLWOO-UHFFFAOYSA-N 0 0 278.739 3.039 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2occc2c1 ZINC001471166386 937762143 /nfs/dbraw/zinc/76/21/43/937762143.db2.gz IFMBEQRFKOMFEO-UHFFFAOYSA-N 0 0 283.283 3.025 20 10 CGCDRN C/C(=C\C(=O)NCc1cccc(O)c1O)c1ccccc1C ZINC001471642400 937768104 /nfs/dbraw/zinc/76/81/04/937768104.db2.gz RUCVIRLWXTWSBZ-JLHYYAGUSA-N 0 0 297.354 3.126 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCCS1 ZINC001472085986 937772460 /nfs/dbraw/zinc/77/24/60/937772460.db2.gz HALWFVXLXTZWKN-HNNXBMFYSA-N 0 0 287.384 3.057 20 10 CGCDRN CCN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(OC)cc1 ZINC001473247124 937799040 /nfs/dbraw/zinc/79/90/40/937799040.db2.gz PMJZCLMKQYZRRH-JQFCIGGWSA-N 0 0 275.392 3.479 20 10 CGCDRN c1nn2c(c1NCc1ccc(N3CCCC3)cc1)CCCC2 ZINC001329349253 935207723 /nfs/dbraw/zinc/20/77/23/935207723.db2.gz KCIKVBQXGOLDGX-UHFFFAOYSA-N 0 0 296.418 3.432 20 10 CGCDRN Cc1noc(C2CC2)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC001333578307 935547784 /nfs/dbraw/zinc/54/77/84/935547784.db2.gz LNPWUTBJFYVJHT-UHFFFAOYSA-N 0 0 299.330 3.114 20 10 CGCDRN CC[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001336425071 936193443 /nfs/dbraw/zinc/19/34/43/936193443.db2.gz YTXMGPRAAZOREM-HNNXBMFYSA-N 0 0 280.387 3.238 20 10 CGCDRN C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)CC1 ZINC001336878650 936224596 /nfs/dbraw/zinc/22/45/96/936224596.db2.gz DCKAZBNPBKPEDR-SWLSCSKDSA-N 0 0 275.396 3.037 20 10 CGCDRN CC(=O)Nc1ccc(N[C@@H](C)c2cc(F)ccc2O)nc1 ZINC001337802081 936290359 /nfs/dbraw/zinc/29/03/59/936290359.db2.gz ZVYZGVUNBKKJCO-VIFPVBQESA-N 0 0 289.310 3.058 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2(C3CCC3)CCC2)c1 ZINC001474169832 937842631 /nfs/dbraw/zinc/84/26/31/937842631.db2.gz WAJJCKAIWTUMCL-UHFFFAOYSA-N 0 0 290.363 3.360 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001474717040 937876694 /nfs/dbraw/zinc/87/66/94/937876694.db2.gz WQFOESPTXJUGSA-CYBMUJFWSA-N 0 0 285.362 3.426 20 10 CGCDRN CCC1(CC)[C@H]([NH2+]Cc2c([O-])cccc2F)C[C@H]1OC ZINC001474716232 937876780 /nfs/dbraw/zinc/87/67/80/937876780.db2.gz FYZWBKIDTXVCMO-HUUCEWRRSA-N 0 0 281.371 3.215 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCOCC23CCCC3)ccc(F)c1F ZINC001474755247 937879143 /nfs/dbraw/zinc/87/91/43/937879143.db2.gz OTQMHAAWTIASGA-CYBMUJFWSA-N 0 0 297.345 3.109 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2cccc(C)c21 ZINC001515497421 938006323 /nfs/dbraw/zinc/00/63/23/938006323.db2.gz LSOXAMAXCQTDMV-KAMYIIQDSA-N 0 0 278.355 3.383 20 10 CGCDRN C=C=CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001518954801 938017381 /nfs/dbraw/zinc/01/73/81/938017381.db2.gz OJSNPNTXISAVPJ-UHFFFAOYSA-N 0 0 299.418 3.063 20 10 CGCDRN CCC[C@H](C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001520502143 938026165 /nfs/dbraw/zinc/02/61/65/938026165.db2.gz UVYJRXSXVUIIHZ-HNNXBMFYSA-N 0 0 299.370 3.298 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCOCc2ccccc21 ZINC001539255584 938123762 /nfs/dbraw/zinc/12/37/62/938123762.db2.gz HULOCCRFUQTEST-SDNWHVSQSA-N 0 0 294.354 3.048 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCSc2ccncc21 ZINC001540067523 938127858 /nfs/dbraw/zinc/12/78/58/938127858.db2.gz JBABAJHIMSCZNS-XFXZXTDPSA-N 0 0 297.383 3.019 20 10 CGCDRN C[C@@H](NC(=O)c1c(F)ccnc1Cl)c1ccccc1O ZINC001557967737 938212863 /nfs/dbraw/zinc/21/28/63/938212863.db2.gz JZADZHQSICSYOE-MRVPVSSYSA-N 0 0 294.713 3.071 20 10 CGCDRN O=C(c1coc(C(F)F)c1)N1Cc2cccc(O)c2C1 ZINC001558036188 938213307 /nfs/dbraw/zinc/21/33/07/938213307.db2.gz WIWBMXFRAZUEDM-UHFFFAOYSA-N 0 0 279.242 3.079 20 10 CGCDRN CC[C@@H](C)[C@@H](C)Sc1ncc(C(=O)OC)s1 ZINC001559416537 938226297 /nfs/dbraw/zinc/22/62/97/938226297.db2.gz NNNYUAMCQZAIBC-HTQZYQBOSA-N 0 0 259.396 3.456 20 10 CGCDRN CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001560834385 938278513 /nfs/dbraw/zinc/27/85/13/938278513.db2.gz MCOKBSBSEHPYIM-STQMWFEESA-N 0 0 297.345 3.060 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001560913070 938283710 /nfs/dbraw/zinc/28/37/10/938283710.db2.gz HRJOJCSGPHQIAQ-UHFFFAOYSA-N 0 0 299.704 3.319 20 10 CGCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2c([O-])cccc2F)C1 ZINC001561015577 938289639 /nfs/dbraw/zinc/28/96/39/938289639.db2.gz AGYZKQPMJFCBNC-VXGBXAGGSA-N 0 0 251.345 3.447 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C(=O)[O-] ZINC001593606881 953434513 /nfs/dbraw/zinc/43/45/13/953434513.db2.gz CLFQUIULMHYAHX-QMTHXVAHSA-N 0 0 273.332 3.059 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)[O-] ZINC001593606880 953434912 /nfs/dbraw/zinc/43/49/12/953434912.db2.gz CLFQUIULMHYAHX-IINYFYTJSA-N 0 0 273.332 3.059 20 10 CGCDRN CC(C)C[N@H+](CC(=O)[O-])Cc1c(O)ccc2ccccc21 ZINC000086777972 957986049 /nfs/dbraw/zinc/98/60/49/957986049.db2.gz ACKCMTUVIXIHQB-UHFFFAOYSA-N 0 0 287.359 3.088 20 10 CGCDRN CCCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(=O)[O-] ZINC001595638119 960535514 /nfs/dbraw/zinc/53/55/14/960535514.db2.gz GZXAMZHHXKSINA-LBPRGKRZSA-N 0 0 285.771 3.087 20 10 CGCDRN Cc1cc(CNC(=O)N(C)C2CC2)c(C)n1-c1ccccc1 ZINC001565193313 960750013 /nfs/dbraw/zinc/75/00/13/960750013.db2.gz VGQXYLRXKBCCNB-UHFFFAOYSA-N 0 0 297.402 3.398 20 10 CGCDRN C=C/C=C/CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001570418118 961959488 /nfs/dbraw/zinc/95/94/88/961959488.db2.gz GNNVOELBMOUSRW-KIUWMYQTSA-N 0 0 286.419 3.241 20 10 CGCDRN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001573698896 962277649 /nfs/dbraw/zinc/27/76/49/962277649.db2.gz QAVZCDJTFNWAPJ-SWLSCSKDSA-N 0 0 299.370 3.088 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC001574343138 962304640 /nfs/dbraw/zinc/30/46/40/962304640.db2.gz FKIHLSSOZNUCHQ-LKFCYVNXSA-N 0 0 297.782 3.039 20 10 CGCDRN CNc1ccc(C(=O)NCc2cccc(Cl)c2O)s1 ZINC001578757690 962599604 /nfs/dbraw/zinc/59/96/04/962599604.db2.gz WYGHQEFALXETGB-UHFFFAOYSA-N 0 0 296.779 3.079 20 10 CGCDRN Nc1ccc(OC(=O)CCCOCc2ccccc2)cc1 ZINC001580449165 962723998 /nfs/dbraw/zinc/72/39/98/962723998.db2.gz FHYOETJQYROBEQ-UHFFFAOYSA-N 0 0 285.343 3.171 20 10 CGCDRN CCc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001584977683 962974555 /nfs/dbraw/zinc/97/45/55/962974555.db2.gz LOTQXKNXWNRDDC-UHFFFAOYSA-N 0 0 269.344 3.193 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC(C)C ZINC001586953778 963152156 /nfs/dbraw/zinc/15/21/56/963152156.db2.gz ZAFTWTFLQAVRDT-UHFFFAOYSA-N 0 0 298.386 3.292 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC001587451475 963198221 /nfs/dbraw/zinc/19/82/21/963198221.db2.gz WPVGHAAPJWDRDL-DMEOUFDRSA-N 0 0 288.372 3.048 20 10 CGCDRN C/C(=C/c1ccco1)C(=O)N(C)Cc1ccccc1O ZINC001588156170 963249457 /nfs/dbraw/zinc/24/94/57/963249457.db2.gz NQPFDTYQZJMJPV-BENRWUELSA-N 0 0 271.316 3.047 20 10 CGCDRN CC(C)(CC[NH2+]Cc1ccc2ccccc2c1O)C(=O)[O-] ZINC001588777927 963313800 /nfs/dbraw/zinc/31/38/00/963313800.db2.gz SKUTYCXHKQCHJP-UHFFFAOYSA-N 0 0 287.359 3.136 20 10 CGCDRN C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 ZINC001592446415 978125082 /nfs/dbraw/zinc/12/50/82/978125082.db2.gz XWIMPQWNLMHAMS-CYBMUJFWSA-N 0 0 292.423 3.122 20 10 CGCDRN CCN(C)c1ccc(C[NH2+]C(CC)(CC)CC(=O)[O-])cc1 ZINC001596197917 983582584 /nfs/dbraw/zinc/58/25/84/983582584.db2.gz TULGCKJBAZFAIF-UHFFFAOYSA-N 0 0 292.423 3.266 20 10 CGCDRN C[C@H]([NH2+]Cc1ccsc1C(=O)[O-])c1ccccc1O ZINC001599901905 984849562 /nfs/dbraw/zinc/84/95/62/984849562.db2.gz VAKVLCZXLBXJBL-VIFPVBQESA-N 0 0 277.345 3.003 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cc(C(=O)[O-])ccc1O ZINC001593257760 994535374 /nfs/dbraw/zinc/53/53/74/994535374.db2.gz SWWAOCCCNCCWIP-JQWIXIFHSA-N 0 0 295.404 3.027 20 10 CGCDRN C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001594186940 998722571 /nfs/dbraw/zinc/72/25/71/998722571.db2.gz ZBOGZEJHHKDUMX-NRUUGDAUSA-N 0 0 297.782 3.025 20 10 CGCDRN CCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031099188 344925035 /nfs/dbraw/zinc/92/50/35/344925035.db2.gz XZOAUSTUEDBDKK-CYBMUJFWSA-N 0 0 277.412 3.083 20 10 CGCDRN C[C@H](Nc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000065280524 345270558 /nfs/dbraw/zinc/27/05/58/345270558.db2.gz FJAOUTVSQHCJHC-AWEZNQCLSA-N 0 0 283.375 3.091 20 10 CGCDRN CN(C)c1ccc(CNc2ncnc3ccccc32)cc1F ZINC000069714283 345384227 /nfs/dbraw/zinc/38/42/27/345384227.db2.gz VZJQFBHVGSDZLW-UHFFFAOYSA-N 0 0 296.349 3.447 20 10 CGCDRN CC(C)c1cccc(N(C)C(=O)/C=C/c2cnccn2)c1 ZINC000067768362 345331530 /nfs/dbraw/zinc/33/15/30/345331530.db2.gz AKWOQQRKCDYTKL-BQYQJAHWSA-N 0 0 281.359 3.276 20 10 CGCDRN CN(C)c1ccc(CNc2nc(C3CC3)ns2)cc1 ZINC000080764737 345686894 /nfs/dbraw/zinc/68/68/94/345686894.db2.gz XGHUDHAJWFYJEH-UHFFFAOYSA-N 0 0 274.393 3.094 20 10 CGCDRN COc1cccc(CNc2nc3ccccc3nc2C)c1O ZINC000091479268 345815655 /nfs/dbraw/zinc/81/56/55/345815655.db2.gz FNFSMRUXUOTTPB-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN CCCCN(CCCC)C(=O)c1cccc(O)c1O ZINC000126241547 260346417 /nfs/dbraw/zinc/34/64/17/260346417.db2.gz VTXUTKQGTYKMAH-UHFFFAOYSA-N 0 0 265.353 3.140 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000273438559 299344890 /nfs/dbraw/zinc/34/48/90/299344890.db2.gz XVXAVERVYPMJRW-QWRGUYRKSA-N 0 0 287.319 3.107 20 10 CGCDRN COc1ccc(O)c(CNc2cc(OC)ccc2OC)c1 ZINC000020088581 368799277 /nfs/dbraw/zinc/79/92/77/368799277.db2.gz AFONBUJPDIYVLY-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000031726378 368917611 /nfs/dbraw/zinc/91/76/11/368917611.db2.gz AMEUDPMQOGHYIQ-AWEZNQCLSA-N 0 0 297.402 3.313 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)nc1 ZINC000493866426 244247498 /nfs/dbraw/zinc/24/74/98/244247498.db2.gz ADCQMURAURWJJM-YVMONPNESA-N 0 0 287.750 3.115 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC000078981593 369958746 /nfs/dbraw/zinc/95/87/46/369958746.db2.gz KTMZGZVSHDDHEV-UHFFFAOYSA-N 0 0 298.386 3.039 20 10 CGCDRN CCOc1cccc(CNc2ccc(C)nc2)c1O ZINC000083430350 370005455 /nfs/dbraw/zinc/00/54/55/370005455.db2.gz LEXYUKDYUBVDRV-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN CC1CCN(c2ccc(CNc3cnccn3)cc2)CC1 ZINC000108350157 370357594 /nfs/dbraw/zinc/35/75/94/370357594.db2.gz QSBMJLLMEMXBPY-UHFFFAOYSA-N 0 0 282.391 3.325 20 10 CGCDRN C[C@H](N[C@@H](C)C(F)(F)F)c1cc(F)ccc1O ZINC000287363267 371645333 /nfs/dbraw/zinc/64/53/33/371645333.db2.gz OGACGYSUWBUWPO-BQBZGAKWSA-N 0 0 251.223 3.133 20 10 CGCDRN C[C@@H](N[C@@H](C)C(F)(F)F)c1cc(F)ccc1O ZINC000287363275 371645705 /nfs/dbraw/zinc/64/57/05/371645705.db2.gz OGACGYSUWBUWPO-RQJHMYQMSA-N 0 0 251.223 3.133 20 10 CGCDRN C[C@@H](NCc1cc(Br)ccc1O)C(F)(F)F ZINC000288525642 371738925 /nfs/dbraw/zinc/73/89/25/371738925.db2.gz VDXLPTOUAPHJSP-ZCFIWIBFSA-N 0 0 298.102 3.195 20 10 CGCDRN COc1cc(NCc2cc(F)ccc2O)cc(OC)c1C ZINC000293774852 372477132 /nfs/dbraw/zinc/47/71/32/372477132.db2.gz BLJOTSKUOFUJRJ-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN CCN(C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC000171123632 372717096 /nfs/dbraw/zinc/71/70/96/372717096.db2.gz JEXAYJBLBJVRGJ-UHFFFAOYSA-N 0 0 289.423 3.009 20 10 CGCDRN CCCCN(Cc1cnns1)Cc1ccccc1O ZINC000295482488 372798264 /nfs/dbraw/zinc/79/82/64/372798264.db2.gz YUUMWOXRMNDKMK-UHFFFAOYSA-N 0 0 277.393 3.046 20 10 CGCDRN CSc1ccccc1C(=O)N1CCS[C@H](C)[C@H]1C ZINC000172355570 372947208 /nfs/dbraw/zinc/94/72/08/372947208.db2.gz WKLGICJLBSAZBQ-GHMZBOCLSA-N 0 0 281.446 3.375 20 10 CGCDRN C[C@@H](CCC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297125267 373257269 /nfs/dbraw/zinc/25/72/69/373257269.db2.gz GZPQKFRWEZYXIO-AWEZNQCLSA-N 0 0 282.387 3.469 20 10 CGCDRN CC(C)N(C(=O)[C@@H](C)Sc1nccs1)C(C)C ZINC000299037215 373449464 /nfs/dbraw/zinc/44/94/64/373449464.db2.gz LOWSSWVVUCSVDV-SNVBAGLBSA-N 0 0 272.439 3.269 20 10 CGCDRN COc1ccnc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000301640243 373794459 /nfs/dbraw/zinc/79/44/59/373794459.db2.gz MANLZNJQSJPCFY-UHFFFAOYSA-N 0 0 281.406 3.390 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCCCn1ccnc1 ZINC000180432726 374006109 /nfs/dbraw/zinc/00/61/09/374006109.db2.gz WWSQNIKLOFGYLB-UHFFFAOYSA-N 0 0 298.415 3.466 20 10 CGCDRN Cc1ccc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183428396 374411343 /nfs/dbraw/zinc/41/13/43/374411343.db2.gz HFMBJHHVUXLZRN-CYBMUJFWSA-N 0 0 299.370 3.076 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)C(C)C ZINC000471226310 375003225 /nfs/dbraw/zinc/00/32/25/375003225.db2.gz IIKDANFDRJTCCI-GFCCVEGCSA-N 0 0 272.392 3.395 20 10 CGCDRN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699552 375075624 /nfs/dbraw/zinc/07/56/24/375075624.db2.gz NXUGYOUMSTWUKF-RKDXNWHRSA-N 0 0 295.333 3.124 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187740948 375085309 /nfs/dbraw/zinc/08/53/09/375085309.db2.gz MSDNSQXSCMVTTP-WDEREUQCSA-N 0 0 287.350 3.120 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)(C)C ZINC000187742706 375085688 /nfs/dbraw/zinc/08/56/88/375085688.db2.gz GHJPUJUSASNMKP-CABZTGNLSA-N 0 0 287.350 3.382 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000187805893 375098767 /nfs/dbraw/zinc/09/87/67/375098767.db2.gz SCABKYDYWNTDEN-UWVGGRQHSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000187805873 375099368 /nfs/dbraw/zinc/09/93/68/375099368.db2.gz SCABKYDYWNTDEN-NXEZZACHSA-N 0 0 285.334 3.279 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCCc2cc(F)ccc21 ZINC000493324357 375468018 /nfs/dbraw/zinc/46/80/18/375468018.db2.gz PZOFSGZJADAGSE-GQCTYLIASA-N 0 0 288.347 3.275 20 10 CGCDRN Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000191201141 375594364 /nfs/dbraw/zinc/59/43/64/375594364.db2.gz HFDMQROSBACTPX-BDAKNGLRSA-N 0 0 295.333 3.124 20 10 CGCDRN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000193138541 375832599 /nfs/dbraw/zinc/83/25/99/375832599.db2.gz KHCBZTPEMAEGAQ-AAEUAGOBSA-N 0 0 277.364 3.139 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(C(=O)N(C)C)c(C)c2)c1 ZINC000194917625 376059706 /nfs/dbraw/zinc/05/97/06/376059706.db2.gz QXISHEOOUOWAHP-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245848068 376918861 /nfs/dbraw/zinc/91/88/61/376918861.db2.gz LSHQUSAVYIGHFI-SMDDNHRTSA-N 0 0 281.783 3.047 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)c2ccccc2F)cc1F ZINC000268196966 378050742 /nfs/dbraw/zinc/05/07/42/378050742.db2.gz QSIUCTNRZWMKHE-HNNXBMFYSA-N 0 0 293.313 3.143 20 10 CGCDRN CC(C)Oc1ccccc1C(=O)NCCc1ccc(N)cc1 ZINC000269146928 378192286 /nfs/dbraw/zinc/19/22/86/378192286.db2.gz GTDNKVCGLJOZAH-UHFFFAOYSA-N 0 0 298.386 3.029 20 10 CGCDRN COc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC000272231887 378591477 /nfs/dbraw/zinc/59/14/77/378591477.db2.gz FAAJQXPHDBLILN-UHFFFAOYSA-N 0 0 287.334 3.098 20 10 CGCDRN C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000272240535 378593189 /nfs/dbraw/zinc/59/31/89/378593189.db2.gz GMRXMTNWFZFHDS-LLVKDONJSA-N 0 0 275.323 3.430 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000272335025 378615763 /nfs/dbraw/zinc/61/57/63/378615763.db2.gz XHZRWWLDNXHMAE-AWEZNQCLSA-N 0 0 260.312 3.197 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000273361055 378742620 /nfs/dbraw/zinc/74/26/20/378742620.db2.gz AJKGUONSVRLRAQ-DTWKUNHWSA-N 0 0 295.276 3.149 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H](C)CCC(C)(C)C)c1O ZINC000273371843 378743275 /nfs/dbraw/zinc/74/32/75/378743275.db2.gz XZACYPFKQHPXLB-LBPRGKRZSA-N 0 0 293.407 3.479 20 10 CGCDRN Cc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273413923 378746597 /nfs/dbraw/zinc/74/65/97/378746597.db2.gz QIYBDZQVPJLWOI-LBPRGKRZSA-N 0 0 286.331 3.460 20 10 CGCDRN C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000277076600 379060438 /nfs/dbraw/zinc/06/04/38/379060438.db2.gz JEKVNDMCZBIMNN-NXEZZACHSA-N 0 0 260.303 3.354 20 10 CGCDRN CCc1nc([C@@H]2CCCCN2Cc2ccccc2O)no1 ZINC000376166767 379525327 /nfs/dbraw/zinc/52/53/27/379525327.db2.gz NWYBQNSHQKMVJM-ZDUSSCGKSA-N 0 0 287.363 3.065 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)SC)c1ccc(F)cc1[O-] ZINC000286170340 380171601 /nfs/dbraw/zinc/17/16/01/380171601.db2.gz PTULTAOPXXQSDJ-SKDRFNHKSA-N 0 0 257.374 3.324 20 10 CGCDRN CCOC1CC(CN(CC)c2ccc(OC)cc2)C1 ZINC000286229151 380179752 /nfs/dbraw/zinc/17/97/52/380179752.db2.gz BVNNPPHZURNLHZ-UHFFFAOYSA-N 0 0 263.381 3.337 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286275230 380187937 /nfs/dbraw/zinc/18/79/37/380187937.db2.gz VNWRNSWIEAYTPS-SWLSCSKDSA-N 0 0 283.387 3.371 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286275225 380188225 /nfs/dbraw/zinc/18/82/25/380188225.db2.gz VNWRNSWIEAYTPS-IUODEOHRSA-N 0 0 283.387 3.371 20 10 CGCDRN C[C@@H]1CCC[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180917633 261878708 /nfs/dbraw/zinc/87/87/08/261878708.db2.gz CAMBFYICBKEZCY-ODAKQPGBSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1C[C@H]1C ZINC000355297669 380629926 /nfs/dbraw/zinc/62/99/26/380629926.db2.gz NIXNBQJSMYWRMT-YPMHNXCESA-N 0 0 270.376 3.149 20 10 CGCDRN CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185463898 262056236 /nfs/dbraw/zinc/05/62/36/262056236.db2.gz PWSORLMGMZFCEV-LDYMZIIASA-N 0 0 292.206 3.367 20 10 CGCDRN CCCCC[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122655465 392422282 /nfs/dbraw/zinc/42/22/82/392422282.db2.gz AHZVRHVSEMYWBR-CYBMUJFWSA-N 0 0 293.407 3.363 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1csc(C)n1 ZINC000120566596 392401924 /nfs/dbraw/zinc/40/19/24/392401924.db2.gz JMNLMQYFPKFSHS-UHFFFAOYSA-N 0 0 260.362 3.023 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c(O)c1O ZINC000177668077 392664956 /nfs/dbraw/zinc/66/49/56/392664956.db2.gz RAOWZOIDRDBWCX-OAHLLOKOSA-N 0 0 297.354 3.166 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cccnc1 ZINC000174068530 392634187 /nfs/dbraw/zinc/63/41/87/392634187.db2.gz TZMGSHPMJVIDPO-AWEZNQCLSA-N 0 0 298.386 3.330 20 10 CGCDRN CCc1nc(C)cc(NCc2c(C)c3ccccc3n2C)n1 ZINC000343086018 393017860 /nfs/dbraw/zinc/01/78/60/393017860.db2.gz RQCCWBZMWCHSLZ-UHFFFAOYSA-N 0 0 294.402 3.182 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000290029018 286923907 /nfs/dbraw/zinc/92/39/07/286923907.db2.gz CTFGCLAKVYNPIW-CABCVRRESA-N 0 0 281.371 3.123 20 10 CGCDRN CN(C(=O)CCCc1cccs1)c1ccc(N)cc1 ZINC000020373887 171169376 /nfs/dbraw/zinc/16/93/76/171169376.db2.gz YDQDRLROQUJRPE-UHFFFAOYSA-N 0 0 274.389 3.316 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1cc(C)ccc1O ZINC000035628844 172308322 /nfs/dbraw/zinc/30/83/22/172308322.db2.gz JIDYSLFRKQEEJI-JTQLQIEISA-N 0 0 259.353 3.224 20 10 CGCDRN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CCCC1 ZINC000037323383 173123831 /nfs/dbraw/zinc/12/38/31/173123831.db2.gz LQYJOYQOQVEPIF-UHFFFAOYSA-N 0 0 279.355 3.498 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000042869683 174896627 /nfs/dbraw/zinc/89/66/27/174896627.db2.gz LNGMIECVSOHXPH-NWDGAFQWSA-N 0 0 261.369 3.217 20 10 CGCDRN CCOc1cncc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302336351 227840716 /nfs/dbraw/zinc/84/07/16/227840716.db2.gz AWQRIJJMFNOTJJ-GFCCVEGCSA-N 0 0 286.379 3.114 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCSC1 ZINC000162692027 261291609 /nfs/dbraw/zinc/29/16/09/261291609.db2.gz WXXOSIMHRDJXIO-SNVBAGLBSA-N 0 0 257.786 3.031 20 10 CGCDRN CC(C)(C)c1cnc(S[C@@H]2CCCCNC2=O)s1 ZINC000164060563 261338669 /nfs/dbraw/zinc/33/86/69/261338669.db2.gz UPJSHZNMADKQHL-SECBINFHSA-N 0 0 284.450 3.201 20 10 CGCDRN CC(C)(C)c1cnc(SCC[C@H]2CCOC2=O)s1 ZINC000164124251 261341030 /nfs/dbraw/zinc/34/10/30/261341030.db2.gz QMLAYHAZSRSQOQ-SECBINFHSA-N 0 0 285.434 3.486 20 10 CGCDRN CC(C)(C)OC(=O)CCCSc1nccs1 ZINC000182005478 261919130 /nfs/dbraw/zinc/91/91/30/261919130.db2.gz MPCWFSFVGGAVII-UHFFFAOYSA-N 0 0 259.396 3.357 20 10 CGCDRN Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(C2CC2)n1 ZINC000184147316 262010939 /nfs/dbraw/zinc/01/09/39/262010939.db2.gz BJSKZBANESNZOB-SNVBAGLBSA-N 0 0 299.374 3.117 20 10 CGCDRN Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185501353 262056851 /nfs/dbraw/zinc/05/68/51/262056851.db2.gz NPPUOBAUXDUJSN-NXEZZACHSA-N 0 0 292.354 3.418 20 10 CGCDRN C[N@H+](CCc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000293610888 263144232 /nfs/dbraw/zinc/14/42/32/263144232.db2.gz LTEATICFSJZYBR-UHFFFAOYSA-N 0 0 294.757 3.254 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CN(C)C)c1cccc(Cl)c1[O-] ZINC000287000899 288058703 /nfs/dbraw/zinc/05/87/03/288058703.db2.gz KCYFYQSVSOIXQS-GWCFXTLKSA-N 0 0 270.804 3.036 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C)CC2)cc1OC ZINC000301921361 295026616 /nfs/dbraw/zinc/02/66/16/295026616.db2.gz KZPMRLWVHHJLRX-LLVKDONJSA-N 0 0 294.351 3.238 20 10 CGCDRN CC/C=C(\C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000178293396 327793608 /nfs/dbraw/zinc/79/36/08/327793608.db2.gz WIZZPUXBKCYZLQ-WUXMJOGZSA-N 0 0 273.376 3.244 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1[O-] ZINC000276939659 328220480 /nfs/dbraw/zinc/22/04/80/328220480.db2.gz PITJATPSTCYGOB-QPUJVOFHSA-N 0 0 293.317 3.122 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)c(F)c1[O-] ZINC000276939630 328220513 /nfs/dbraw/zinc/22/05/13/328220513.db2.gz PIABTGDJLORSAN-RKDXNWHRSA-N 0 0 273.348 3.217 20 10 CGCDRN CCC[C@@](C)(O)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000285986975 328248700 /nfs/dbraw/zinc/24/87/00/328248700.db2.gz HXFILXQVDILEAX-UKRRQHHQSA-N 0 0 269.360 3.123 20 10 CGCDRN CN(C(=O)/C=C/c1cccnc1)c1ccc(F)c(F)c1 ZINC000048944988 328326422 /nfs/dbraw/zinc/32/64/22/328326422.db2.gz XJWGFUBWMHRZNJ-QPJJXVBHSA-N 0 0 274.270 3.036 20 10 CGCDRN CCC[C@]1(CO)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377839679 329031511 /nfs/dbraw/zinc/03/15/11/329031511.db2.gz LHIMXZRHHRPTOC-HNNXBMFYSA-N 0 0 283.799 3.030 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccccc1 ZINC000187206459 329354961 /nfs/dbraw/zinc/35/49/61/329354961.db2.gz PXKFSFMXUVVCLB-CQSZACIVSA-N 0 0 283.327 3.075 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3cc(C)ncn3)cc12 ZINC000421207549 329806034 /nfs/dbraw/zinc/80/60/34/329806034.db2.gz WUJHRNRLKUEFFB-UHFFFAOYSA-N 0 0 281.359 3.473 20 10 CGCDRN CC[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(F)cc1[O-] ZINC000528004382 330300359 /nfs/dbraw/zinc/30/03/59/330300359.db2.gz FXXCSRZPUNJRHF-CXFMUKIQSA-N 0 0 281.371 3.384 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CCCC1 ZINC000471243417 331504845 /nfs/dbraw/zinc/50/48/45/331504845.db2.gz MUWUMYZKAXJPFB-UHFFFAOYSA-N 0 0 270.376 3.293 20 10 CGCDRN CC[C@@H]1CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000490408566 332088916 /nfs/dbraw/zinc/08/89/16/332088916.db2.gz NTCDTIVXXXONPF-CYBMUJFWSA-N 0 0 285.391 3.181 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2S1 ZINC000492112425 332383413 /nfs/dbraw/zinc/38/34/13/332383413.db2.gz UFMXDNOUYJFDHR-DGMVEKRQSA-N 0 0 297.383 3.017 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc(F)c(F)c2)cn1 ZINC000492474180 332399249 /nfs/dbraw/zinc/39/92/49/332399249.db2.gz OKDWHGDFYKAIBD-VMPITWQZSA-N 0 0 288.297 3.344 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ncccc1C ZINC000492588946 332404536 /nfs/dbraw/zinc/40/45/36/332404536.db2.gz DIEZITQQTRYXJC-KTKRTIGZSA-N 0 0 281.359 3.160 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000528858310 333462169 /nfs/dbraw/zinc/46/21/69/333462169.db2.gz CAJOMDOPSFJYOR-RISCZKNCSA-N 0 0 289.375 3.158 20 10 CGCDRN C/C=C/C=C/C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000298441305 518508672 /nfs/dbraw/zinc/50/86/72/518508672.db2.gz HMXMZCMRTVMKPK-ZIRGRKGMSA-N 0 0 272.392 3.233 20 10 CGCDRN CC(C)(CC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000236792712 519190151 /nfs/dbraw/zinc/19/01/51/519190151.db2.gz FCLLOBSLHIYDRA-UHFFFAOYSA-N 0 0 296.414 3.295 20 10 CGCDRN O=C(CC[C@H]1CCCCO1)CSc1nccs1 ZINC000295777018 534446749 /nfs/dbraw/zinc/44/67/49/534446749.db2.gz QIXMWMGZLORUAY-LLVKDONJSA-N 0 0 271.407 3.154 20 10 CGCDRN CCN(CC(=O)Nc1ccccc1C)c1ccc(OC)cc1 ZINC000299377393 520367514 /nfs/dbraw/zinc/36/75/14/520367514.db2.gz MNZACWNFXXZOPB-UHFFFAOYSA-N 0 0 298.386 3.469 20 10 CGCDRN CCCCOCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273411780 520757767 /nfs/dbraw/zinc/75/77/67/520757767.db2.gz PUISFSJRGQBEJB-LBPRGKRZSA-N 0 0 296.367 3.158 20 10 CGCDRN Fc1cccc(NCCCSc2nccs2)n1 ZINC000301769508 534524667 /nfs/dbraw/zinc/52/46/67/534524667.db2.gz IOADOGYRXDSWNT-UHFFFAOYSA-N 0 0 269.370 3.272 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]CC[C@H](C)CC(=O)[O-])cc1 ZINC000277225006 520905186 /nfs/dbraw/zinc/90/51/86/520905186.db2.gz IEMYYRIXRZFLNB-AWEZNQCLSA-N 0 0 292.423 3.123 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccc(CO)cn2)cc1 ZINC000291667346 520910351 /nfs/dbraw/zinc/91/03/51/520910351.db2.gz VYKRKPMLMNGJEP-UHFFFAOYSA-N 0 0 285.391 3.032 20 10 CGCDRN CCN(CCCCCOC)c1ccc(OC)c(OC)c1 ZINC000265311663 521003554 /nfs/dbraw/zinc/00/35/54/521003554.db2.gz FHUYLPIFMVJKFA-UHFFFAOYSA-N 0 0 281.396 3.347 20 10 CGCDRN CCOc1ccc(N(CC)Cc2ncnn2C(C)C)cc1 ZINC000279977819 521028574 /nfs/dbraw/zinc/02/85/74/521028574.db2.gz JLHUOWUKYVVWEC-UHFFFAOYSA-N 0 0 288.395 3.284 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cn3cccnc3n2)cc1 ZINC000299355860 521029202 /nfs/dbraw/zinc/02/92/02/521029202.db2.gz CDZOPVHXGWPZSH-UHFFFAOYSA-N 0 0 296.374 3.155 20 10 CGCDRN CCCC[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292032214 521138313 /nfs/dbraw/zinc/13/83/13/521138313.db2.gz QEPASHOAQNQHEC-OANVXVOSSA-N 0 0 277.364 3.148 20 10 CGCDRN CCC[C@](C)(CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000281083830 521264559 /nfs/dbraw/zinc/26/45/59/521264559.db2.gz FGEVQAQVMWBXRJ-PXAZEXFGSA-N 0 0 293.407 3.361 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C(C)C ZINC000264809530 521320477 /nfs/dbraw/zinc/32/04/77/521320477.db2.gz BPWFGECQFOBGGA-CQSZACIVSA-N 0 0 276.424 3.393 20 10 CGCDRN CCC(CC)CN(CC)C(=O)c1c(F)ccc(O)c1O ZINC000276594492 521518512 /nfs/dbraw/zinc/51/85/12/521518512.db2.gz NLGKUQQHQHRAQN-UHFFFAOYSA-N 0 0 283.343 3.135 20 10 CGCDRN CCCN(CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299449037 521599297 /nfs/dbraw/zinc/59/92/97/521599297.db2.gz NPFDCUTXUBMPDW-UHFFFAOYSA-N 0 0 289.423 3.228 20 10 CGCDRN CCSCC[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000074911073 521715603 /nfs/dbraw/zinc/71/56/03/521715603.db2.gz UNMBDXSBNNUXQM-LBPRGKRZSA-N 0 0 296.436 3.065 20 10 CGCDRN COCCSCCCN(C)c1ccc(OC)c(F)c1 ZINC000278590705 521773701 /nfs/dbraw/zinc/77/37/01/521773701.db2.gz ZFYJZVJFPGNFOJ-UHFFFAOYSA-N 0 0 287.400 3.040 20 10 CGCDRN CC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298396657 521904328 /nfs/dbraw/zinc/90/43/28/521904328.db2.gz SYTQMSGPNZYLPH-CYBMUJFWSA-N 0 0 274.408 3.290 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)NCCC2(C)CC2)cc1 ZINC000280300821 522165723 /nfs/dbraw/zinc/16/57/23/522165723.db2.gz HGIWRUDJGNGXHH-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN CN(C)c1ccc(CNc2cccc(N3CCC3=O)c2)cc1 ZINC000280124809 522215447 /nfs/dbraw/zinc/21/54/47/522215447.db2.gz PTLRYUHJHUBBQK-UHFFFAOYSA-N 0 0 295.386 3.101 20 10 CGCDRN CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000263960275 522311778 /nfs/dbraw/zinc/31/17/78/522311778.db2.gz QGYRWGNAAUNNQI-MRXNPFEDSA-N 0 0 298.386 3.213 20 10 CGCDRN CCc1occc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000280612808 523012900 /nfs/dbraw/zinc/01/29/00/523012900.db2.gz SAKJBLSDQYUAOW-UHFFFAOYSA-N 0 0 286.375 3.180 20 10 CGCDRN COc1ccc(C)cc1NCc1cc2c(cc1O)OCO2 ZINC000042879200 523844691 /nfs/dbraw/zinc/84/46/91/523844691.db2.gz ZNCFMGQYRDUFIS-UHFFFAOYSA-N 0 0 287.315 3.050 20 10 CGCDRN Cc1cc(C)c(C(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000040675629 524232732 /nfs/dbraw/zinc/23/27/32/524232732.db2.gz PNTQSCDJWMEEID-UHFFFAOYSA-N 0 0 282.387 3.167 20 10 CGCDRN COc1ccc(N(C)CCC2CCOCC2)cc1F ZINC000292604338 524350505 /nfs/dbraw/zinc/35/05/05/524350505.db2.gz LMKCOVRQMQZZGH-UHFFFAOYSA-N 0 0 267.344 3.087 20 10 CGCDRN COc1ccc(N(C)CCCn2ccnc2C)cc1Cl ZINC000127403619 524351335 /nfs/dbraw/zinc/35/13/35/524351335.db2.gz OMLNCOGLZYMSKX-UHFFFAOYSA-N 0 0 293.798 3.380 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C(C)C)[nH]2)cc1Cl ZINC000292625773 524356232 /nfs/dbraw/zinc/35/62/32/524356232.db2.gz YHEJYEDIFXBOOA-UHFFFAOYSA-N 0 0 294.786 3.227 20 10 CGCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000287437280 524765864 /nfs/dbraw/zinc/76/58/64/524765864.db2.gz UEPKLMCUYIQSDR-OQPBUACISA-N 0 0 289.297 3.392 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000037061564 524767832 /nfs/dbraw/zinc/76/78/32/524767832.db2.gz QMDIFJFZWGJTHZ-SNVBAGLBSA-N 0 0 288.303 3.482 20 10 CGCDRN C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(F)c(F)c1[O-] ZINC000187733510 525331219 /nfs/dbraw/zinc/33/12/19/525331219.db2.gz VRHQDMKFKQGYDV-JTQLQIEISA-N 0 0 287.350 3.120 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1[O-] ZINC000062748198 525465146 /nfs/dbraw/zinc/46/51/46/525465146.db2.gz YMFDJENFZIIXEW-SNVBAGLBSA-N 0 0 265.353 3.486 20 10 CGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccccc1O ZINC000263744979 526157288 /nfs/dbraw/zinc/15/72/88/526157288.db2.gz OZWYVBPZZMBEJF-MRXNPFEDSA-N 0 0 296.370 3.187 20 10 CGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCCC1 ZINC000265769287 526679642 /nfs/dbraw/zinc/67/96/42/526679642.db2.gz JJZSLIIASOGCQX-UHFFFAOYSA-N 0 0 299.418 3.052 20 10 CGCDRN Cc1nc(C)c(COc2ccc(N(C)C)cc2)s1 ZINC000289417102 526726257 /nfs/dbraw/zinc/72/62/57/526726257.db2.gz QDEOYMLRMJYBAC-UHFFFAOYSA-N 0 0 262.378 3.405 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000280763999 527371887 /nfs/dbraw/zinc/37/18/87/527371887.db2.gz YZWBMBGHCYLRIO-CTYIDZIISA-N 0 0 298.342 3.336 20 10 CGCDRN CC(C)=CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000191631406 527442746 /nfs/dbraw/zinc/44/27/46/527442746.db2.gz HRKJBFIOUBFFMZ-UHFFFAOYSA-N 0 0 270.170 3.211 20 10 CGCDRN O=C(Nc1nc(C2CCC2)cs1)c1cccc(O)c1O ZINC000278243380 527506052 /nfs/dbraw/zinc/50/60/52/527506052.db2.gz WLEMTQOOCNKTEY-UHFFFAOYSA-N 0 0 290.344 3.074 20 10 CGCDRN CC[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000727376533 571743004 /nfs/dbraw/zinc/74/30/04/571743004.db2.gz ONVDNAPOTFBWEL-GFCCVEGCSA-N 0 0 285.391 3.360 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSC(C)(C)C)c1 ZINC000728978018 571851918 /nfs/dbraw/zinc/85/19/18/571851918.db2.gz KGXMVFPGILFMOS-SNVBAGLBSA-N 0 0 297.420 3.110 20 10 CGCDRN Cc1cc(Sc2nccs2)nc(-c2ccccn2)n1 ZINC000729633170 571926442 /nfs/dbraw/zinc/92/64/42/571926442.db2.gz KKXMILVNFFWWNU-UHFFFAOYSA-N 0 0 286.385 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CGCDRN Cc1ccc(CCCNC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000746411242 572871265 /nfs/dbraw/zinc/87/12/65/572871265.db2.gz SSEOJGHDUACBTC-UHFFFAOYSA-N 0 0 296.414 3.177 20 10 CGCDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1ccccc1 ZINC000747836632 572951307 /nfs/dbraw/zinc/95/13/07/572951307.db2.gz BROOMIPMWHXZOO-UHFFFAOYSA-N 0 0 289.400 3.002 20 10 CGCDRN CCC[C@H]1[C@@H](C)CCCN1C(=O)C1=CC(=O)CS1 ZINC000748371590 572975234 /nfs/dbraw/zinc/97/52/34/572975234.db2.gz WKNBVBZYYCTASM-JQWIXIFHSA-N 0 0 267.394 3.495 20 10 CGCDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)C1=CC(=O)CS1 ZINC000748371592 572975255 /nfs/dbraw/zinc/97/52/55/572975255.db2.gz WKNBVBZYYCTASM-ZYHUDNBSSA-N 0 0 267.394 3.495 20 10 CGCDRN CCCC[C@@H](CC)CNC(=O)NCc1ccccc1O ZINC000748462160 572978082 /nfs/dbraw/zinc/97/80/82/572978082.db2.gz ACMLLXSRYVDOIR-CYBMUJFWSA-N 0 0 278.396 3.408 20 10 CGCDRN CC[C@@H](CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748459908 572978202 /nfs/dbraw/zinc/97/82/02/572978202.db2.gz KXVSIYBZQJQFAY-AWEZNQCLSA-N 0 0 298.386 3.385 20 10 CGCDRN CC(C)Oc1ccccc1CC(=O)NCc1ccccc1O ZINC000748842023 572986841 /nfs/dbraw/zinc/98/68/41/572986841.db2.gz UQENEQKMERLQSL-UHFFFAOYSA-N 0 0 299.370 3.038 20 10 CGCDRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1ccccc1O ZINC000748960739 572987684 /nfs/dbraw/zinc/98/76/84/572987684.db2.gz PTOSMQYCKHDPCH-JSGCOSHPSA-N 0 0 290.407 3.406 20 10 CGCDRN Cc1cccc2ncnc(NCc3ccccc3O)c12 ZINC000749099165 572989119 /nfs/dbraw/zinc/98/91/19/572989119.db2.gz SBVJCENBDTWFLC-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN O=C([O-])c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000213494125 598194030 /nfs/dbraw/zinc/19/40/30/598194030.db2.gz FANNSAZOLHSDCP-UHFFFAOYSA-N 0 0 291.734 3.034 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269213 627970303 /nfs/dbraw/zinc/97/03/03/627970303.db2.gz JVTBDXSYKCJWBZ-HTQZYQBOSA-N 0 0 276.163 3.139 20 10 CGCDRN CN(C)c1ccc(C[NH2+]C2(CC(=O)[O-])CCCCC2)cc1 ZINC000830639359 601561842 /nfs/dbraw/zinc/56/18/42/601561842.db2.gz GGNBOOQIESFKCR-UHFFFAOYSA-N 0 0 290.407 3.020 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)cc1C(C)C ZINC000832898816 601894917 /nfs/dbraw/zinc/89/49/17/601894917.db2.gz LHOPURDHSHLDLB-KRWDZBQOSA-N 0 0 291.391 3.121 20 10 CGCDRN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(O)c2O)C1 ZINC000286197438 617626977 /nfs/dbraw/zinc/62/69/77/617626977.db2.gz BLZKYGBRJSOPTD-WFASDCNBSA-N 0 0 297.354 3.321 20 10 CGCDRN CCN(CC)c1ccc(CNCc2ncc(C)o2)cc1 ZINC000233977169 617660715 /nfs/dbraw/zinc/66/07/15/617660715.db2.gz GUXZBZXZAIPXLI-UHFFFAOYSA-N 0 0 273.380 3.119 20 10 CGCDRN CC(C)c1cnc(NCCc2ccc(O)c(O)c2)s1 ZINC000811810896 617725807 /nfs/dbraw/zinc/72/58/07/617725807.db2.gz HQCJGXYINDSRPT-UHFFFAOYSA-N 0 0 278.377 3.332 20 10 CGCDRN CC[C@@H](Nc1cn(C)nc1OC)c1cccc(Cl)c1O ZINC000806162422 617737186 /nfs/dbraw/zinc/73/71/86/617737186.db2.gz WSPAGIFNIGXYQZ-LLVKDONJSA-N 0 0 295.770 3.351 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)C1CCCCC1 ZINC000890756499 617813783 /nfs/dbraw/zinc/81/37/83/617813783.db2.gz DRMHVXVERXJCPJ-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000890762428 617818039 /nfs/dbraw/zinc/81/80/39/617818039.db2.gz CIZOHANCQYLKII-WCFLWFBJSA-N 0 0 293.794 3.488 20 10 CGCDRN CC(C)=C(C)C(=O)NCc1cc(Br)ccc1O ZINC000804739635 617827327 /nfs/dbraw/zinc/82/73/27/617827327.db2.gz MRLAHPFGUXWUKK-UHFFFAOYSA-N 0 0 298.180 3.127 20 10 CGCDRN C/C=C(\CC)C(=O)NCc1cc(Br)ccc1O ZINC000804739237 617827356 /nfs/dbraw/zinc/82/73/56/617827356.db2.gz BVNVKNHBRNUPJG-YCRREMRBSA-N 0 0 298.180 3.127 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806131129 617834568 /nfs/dbraw/zinc/83/45/68/617834568.db2.gz GQOKNKQGSNTTLZ-GJZGRUSLSA-N 0 0 296.842 3.427 20 10 CGCDRN Cn1cc(-c2nc(CSc3nccs3)cs2)cn1 ZINC000049422878 618061507 /nfs/dbraw/zinc/06/15/07/618061507.db2.gz PNNQKLJXWUQXSM-UHFFFAOYSA-N 0 0 294.430 3.292 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C\c2cncc(C)c2)c1 ZINC000255229872 618115787 /nfs/dbraw/zinc/11/57/87/618115787.db2.gz XPPWACURZLBDNK-FPLPWBNLSA-N 0 0 266.344 3.375 20 10 CGCDRN CCCC[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000891457266 618226913 /nfs/dbraw/zinc/22/69/13/618226913.db2.gz QZTBCTRJYOUBAA-UHFFFAOYSA-N 0 0 267.369 3.031 20 10 CGCDRN CCC1(C(=O)NCCCSc2nccs2)CCC1 ZINC000176067860 618377017 /nfs/dbraw/zinc/37/70/17/618377017.db2.gz ZSPNYBDGHDBZRE-UHFFFAOYSA-N 0 0 284.450 3.322 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)c(O)c1 ZINC000308721570 618385585 /nfs/dbraw/zinc/38/55/85/618385585.db2.gz DMURASIIVURWDH-LBPRGKRZSA-N 0 0 251.370 3.166 20 10 CGCDRN Cc1cc(C)c(C(=O)NCCCSc2nccs2)o1 ZINC000176653847 618610007 /nfs/dbraw/zinc/61/00/07/618610007.db2.gz LJFCUUPJNZYWGR-UHFFFAOYSA-N 0 0 296.417 3.265 20 10 CGCDRN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396813 618714375 /nfs/dbraw/zinc/71/43/75/618714375.db2.gz HAAVTEAWNTZQER-PBHICJAKSA-N 0 0 286.419 3.291 20 10 CGCDRN CCC1(C(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC000176960897 618770504 /nfs/dbraw/zinc/77/05/04/618770504.db2.gz OMQZAWLCTZSLGY-UHFFFAOYSA-N 0 0 286.419 3.266 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(Cl)c1 ZINC000235855277 618830064 /nfs/dbraw/zinc/83/00/64/618830064.db2.gz MEANWVXRWNNTTA-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cc(C(F)F)ncn1 ZINC000892564149 618863919 /nfs/dbraw/zinc/86/39/19/618863919.db2.gz OKLGVMJMISFHNV-UHFFFAOYSA-N 0 0 292.333 3.401 20 10 CGCDRN C[C@H]([NH2+]CC1=CCCC1)c1cc(F)cc(F)c1[O-] ZINC000850558176 618874160 /nfs/dbraw/zinc/87/41/60/618874160.db2.gz UYKKWHGQHZKPKD-VIFPVBQESA-N 0 0 253.292 3.431 20 10 CGCDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)NC(=O)CO3)c(O)c1 ZINC000314417975 618977710 /nfs/dbraw/zinc/97/77/10/618977710.db2.gz XCMVAZSXBBBLNH-NSHDSACASA-N 0 0 298.342 3.205 20 10 CGCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1nccs1 ZINC000893019543 618978713 /nfs/dbraw/zinc/97/87/13/618978713.db2.gz VKOXMWHSJYOEOO-CYBMUJFWSA-N 0 0 290.388 3.034 20 10 CGCDRN CC(C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000075282674 618992447 /nfs/dbraw/zinc/99/24/47/618992447.db2.gz ZJYROZMEGYGSMU-UHFFFAOYSA-N 0 0 293.322 3.057 20 10 CGCDRN COc1ccc(CNc2ccc(C)nc2C)c(O)c1OC ZINC000893196733 619026450 /nfs/dbraw/zinc/02/64/50/619026450.db2.gz CHJRGSKKQUICTE-UHFFFAOYSA-N 0 0 288.347 3.033 20 10 CGCDRN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776257500 619118502 /nfs/dbraw/zinc/11/85/02/619118502.db2.gz YBQWUWNPNCAKJW-NOZJJQNGSA-N 0 0 287.762 3.089 20 10 CGCDRN COc1ccc(N(Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000192991409 619124606 /nfs/dbraw/zinc/12/46/06/619124606.db2.gz GEWFLFPRRSPWRC-CQSZACIVSA-N 0 0 271.360 3.083 20 10 CGCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCCC[C@H]1C ZINC000198208283 619159765 /nfs/dbraw/zinc/15/97/65/619159765.db2.gz PYZOSIHXGHFDJM-GFCCVEGCSA-N 0 0 297.358 3.265 20 10 CGCDRN CC(=O)c1cc(F)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC000314262715 619223497 /nfs/dbraw/zinc/22/34/97/619223497.db2.gz HTVKRYYHQNKDDD-CHWSQXEVSA-N 0 0 291.366 3.356 20 10 CGCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)C1CCC1 ZINC000893846658 619322748 /nfs/dbraw/zinc/32/27/48/619322748.db2.gz OJWQRKZDIXYGMK-SECBINFHSA-N 0 0 282.771 3.033 20 10 CGCDRN COc1cc(C)cc(CNc2ccc3c(c2)COC3)c1O ZINC000894357995 619503201 /nfs/dbraw/zinc/50/32/01/619503201.db2.gz AJVFAARWCDVMOS-UHFFFAOYSA-N 0 0 285.343 3.352 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000894762316 619629368 /nfs/dbraw/zinc/62/93/68/619629368.db2.gz VRWXJUGAVGWRRL-OAHLLOKOSA-N 0 0 290.313 3.403 20 10 CGCDRN CC[C@@H](CSC)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894781275 619634230 /nfs/dbraw/zinc/63/42/30/619634230.db2.gz FKBIINYHSTXZOW-NSHDSACASA-N 0 0 275.364 3.244 20 10 CGCDRN CSC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894852397 619652072 /nfs/dbraw/zinc/65/20/72/619652072.db2.gz PPXFFXZMHGGCLQ-SNVBAGLBSA-N 0 0 287.375 3.245 20 10 CGCDRN COc1cc(Cl)cc(CN2CC(C(F)(F)F)C2)c1O ZINC000894891604 619670227 /nfs/dbraw/zinc/67/02/27/619670227.db2.gz KJNIPXWGOFIEGD-UHFFFAOYSA-N 0 0 295.688 3.048 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC(C)C)c1 ZINC000163153814 619729768 /nfs/dbraw/zinc/72/97/68/619729768.db2.gz TVNJCYGLHJLLAD-NWDGAFQWSA-N 0 0 294.395 3.196 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000895137877 619749383 /nfs/dbraw/zinc/74/93/83/619749383.db2.gz ZDFDFIMBUJPASI-UHFFFAOYSA-N 0 0 289.272 3.292 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CC[C@@H]2C(F)F)cc1 ZINC000895430770 619825051 /nfs/dbraw/zinc/82/50/51/619825051.db2.gz HARPCENGUJNKGT-RDFMZFSFSA-N 0 0 266.335 3.105 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000072924602 625380062 /nfs/dbraw/zinc/38/00/62/625380062.db2.gz CQUQNNSLXAAFEK-LBPRGKRZSA-N 0 0 292.206 3.460 20 10 CGCDRN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000896609139 620036969 /nfs/dbraw/zinc/03/69/69/620036969.db2.gz WUMNDAZDUUKKNT-MRVPVSSYSA-N 0 0 275.751 3.088 20 10 CGCDRN CC(C)[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CS1 ZINC000896638639 620041341 /nfs/dbraw/zinc/04/13/41/620041341.db2.gz WZIRGFSRNBVHRT-QMTHXVAHSA-N 0 0 269.385 3.151 20 10 CGCDRN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])[nH]n1 ZINC000841752304 620377147 /nfs/dbraw/zinc/37/71/47/620377147.db2.gz SJUMCOKQHAKFRT-ONGXEEELSA-N 0 0 293.798 3.359 20 10 CGCDRN CCC(C)(C)NC(=S)N[C@H](C)c1ccccc1O ZINC000865269097 620390203 /nfs/dbraw/zinc/39/02/03/620390203.db2.gz ADWMJKVAZLHUHF-SNVBAGLBSA-N 0 0 266.410 3.106 20 10 CGCDRN C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000841757791 620404561 /nfs/dbraw/zinc/40/45/61/620404561.db2.gz APCSDUIDVMCALH-RBDZCENOSA-N 0 0 290.190 3.263 20 10 CGCDRN C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758761 620405527 /nfs/dbraw/zinc/40/55/27/620405527.db2.gz VGYLYXQBIRTONT-GHMZBOCLSA-N 0 0 271.788 3.247 20 10 CGCDRN CC1(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897614832 620410681 /nfs/dbraw/zinc/41/06/81/620410681.db2.gz LFKBOSHDSLGSDZ-UHFFFAOYSA-N 0 0 291.372 3.233 20 10 CGCDRN C[C@H]1CC2(CC([NH2+]Cc3cccc(Cl)c3[O-])C2)CO1 ZINC000897778584 620429553 /nfs/dbraw/zinc/42/95/53/620429553.db2.gz IBWZSSHCSIQNBD-VLRKGOCCSA-N 0 0 281.783 3.093 20 10 CGCDRN Cc1ccc(CNCc2nc(C(C)(C)C)co2)c(O)c1 ZINC000897943205 620452981 /nfs/dbraw/zinc/45/29/81/620452981.db2.gz ZPIOLUMUPHHVEV-UHFFFAOYSA-N 0 0 274.364 3.276 20 10 CGCDRN C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000897967737 620458695 /nfs/dbraw/zinc/45/86/95/620458695.db2.gz XSMDYOSPACOLJA-JTQLQIEISA-N 0 0 294.757 3.301 20 10 CGCDRN Cc1ncc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])c(C)n1 ZINC000898216523 620488757 /nfs/dbraw/zinc/48/87/57/620488757.db2.gz YAOPUZVQXZRNRQ-SECBINFHSA-N 0 0 291.782 3.303 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000898215012 620489008 /nfs/dbraw/zinc/48/90/08/620489008.db2.gz JBYRMFAVIPXZOI-CYBMUJFWSA-N 0 0 274.751 3.218 20 10 CGCDRN CCO[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000898215574 620489039 /nfs/dbraw/zinc/48/90/39/620489039.db2.gz NYXBTGYXXZUKFJ-STQMWFEESA-N 0 0 283.799 3.483 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)C1CCC1 ZINC000322450317 620517830 /nfs/dbraw/zinc/51/78/30/620517830.db2.gz FURYHOVVYPVSSH-UHFFFAOYSA-N 0 0 261.365 3.177 20 10 CGCDRN O=C(CSc1nccs1)c1ccc(F)c(F)c1 ZINC000040677230 620543306 /nfs/dbraw/zinc/54/33/06/620543306.db2.gz FTIAXLRSWKNZMD-UHFFFAOYSA-N 0 0 271.313 3.396 20 10 CGCDRN Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(F)c1[O-] ZINC000841058951 620548378 /nfs/dbraw/zinc/54/83/78/620548378.db2.gz XGTPBNOJZMXRIR-MRXNPFEDSA-N 0 0 286.350 3.281 20 10 CGCDRN Oc1ccc(Cl)c(F)c1CNc1cnc(C2CC2)nc1 ZINC000902089825 621143231 /nfs/dbraw/zinc/14/32/31/621143231.db2.gz GDVSUMDQGHCLDY-UHFFFAOYSA-N 0 0 293.729 3.464 20 10 CGCDRN CN(C)c1ccc(CNc2nccnc2C2CC2)cc1F ZINC000902167772 621181575 /nfs/dbraw/zinc/18/15/75/621181575.db2.gz WWKYFXKCCBDAPD-UHFFFAOYSA-N 0 0 286.354 3.171 20 10 CGCDRN C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(Cl)cc1[O-] ZINC000903257605 621645509 /nfs/dbraw/zinc/64/55/09/621645509.db2.gz IHKXUWMAXNDQHD-LLVKDONJSA-N 0 0 295.810 3.391 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000903297554 621665141 /nfs/dbraw/zinc/66/51/41/621665141.db2.gz QGVHZQQRAVHARS-BMIGLBTASA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cncs1 ZINC000903311370 621683810 /nfs/dbraw/zinc/68/38/10/621683810.db2.gz OUMDDVLIZDHPII-IUCAKERBSA-N 0 0 266.341 3.400 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1cc(F)cc(F)c1[O-] ZINC000903384217 621725347 /nfs/dbraw/zinc/72/53/47/621725347.db2.gz UYHKWRNPSNLZPP-IINYFYTJSA-N 0 0 297.345 3.423 20 10 CGCDRN CN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC000903771796 621803844 /nfs/dbraw/zinc/80/38/44/621803844.db2.gz YVIXTBHNLBYCFU-STQMWFEESA-N 0 0 288.313 3.205 20 10 CGCDRN CCN(CC)c1ccc(C=Cc2ncc(OC)c(=O)[nH]2)cc1 ZINC000905077027 622037723 /nfs/dbraw/zinc/03/77/23/622037723.db2.gz PSLBXEXOBSMZNX-FLIBITNWSA-N 0 0 299.374 3.207 20 10 CGCDRN CC1(CC(=O)NCc2ccc(O)cc2O)CCCCC1 ZINC000910949036 622509014 /nfs/dbraw/zinc/50/90/14/622509014.db2.gz DCNQXQMSPIRHKX-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCC=CCCC2)c1 ZINC000913000404 622722884 /nfs/dbraw/zinc/72/28/84/622722884.db2.gz IPUURRLBZVBPFX-CQSZACIVSA-N 0 0 273.376 3.453 20 10 CGCDRN COc1ccc(CNc2ccc(Cl)cn2)c(O)c1 ZINC000083480195 625592755 /nfs/dbraw/zinc/59/27/55/625592755.db2.gz CRHMRDDGCOOARE-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN COC(=O)CCCSc1ncc(C(C)(C)C)s1 ZINC000164056104 622814009 /nfs/dbraw/zinc/81/40/09/622814009.db2.gz TZNCCEDLTCSWHQ-UHFFFAOYSA-N 0 0 273.423 3.486 20 10 CGCDRN Cc1cc(CNCc2ccc(N3CCCCC3)cc2)no1 ZINC000044692502 622817816 /nfs/dbraw/zinc/81/78/16/622817816.db2.gz SWDVUCGSUNKBDG-UHFFFAOYSA-N 0 0 285.391 3.263 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2ccccc2n1C ZINC000056878569 622864037 /nfs/dbraw/zinc/86/40/37/622864037.db2.gz PFGWZANGRPGUQV-UHFFFAOYSA-N 0 0 294.354 3.156 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2ccccc2)c1 ZINC000157813888 622952142 /nfs/dbraw/zinc/95/21/42/622952142.db2.gz CHXSSDBMLZLUPH-RUNBWSAHSA-N 0 0 297.354 3.291 20 10 CGCDRN Oc1ccc(F)cc1CNc1cccc(-n2ccnc2)c1 ZINC000226561211 622981535 /nfs/dbraw/zinc/98/15/35/622981535.db2.gz RVQPRAZAAUIHPT-UHFFFAOYSA-N 0 0 283.306 3.329 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2CC1CCOCC1 ZINC000171825815 623192133 /nfs/dbraw/zinc/19/21/33/623192133.db2.gz MXRHJHOKTVSDEY-UHFFFAOYSA-N 0 0 297.345 3.467 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000087778558 623207558 /nfs/dbraw/zinc/20/75/58/623207558.db2.gz ZHBIACJEBRXKSN-SMDDNHRTSA-N 0 0 259.353 3.065 20 10 CGCDRN CCOc1ccccc1NC[C@H](O)CC1CCCC1 ZINC000232127085 623362457 /nfs/dbraw/zinc/36/24/57/623362457.db2.gz SLLOVXXMWORIPI-CQSZACIVSA-N 0 0 263.381 3.438 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)c1nccs1)c1ccccc1O ZINC000913763869 623576790 /nfs/dbraw/zinc/57/67/90/623576790.db2.gz UEDOYUKPIGAUIL-SNVBAGLBSA-N 0 0 290.388 3.004 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1cccc(C)c1 ZINC000914471885 623808473 /nfs/dbraw/zinc/80/84/73/623808473.db2.gz HLPNCWZENBGTQE-MDZDMXLPSA-N 0 0 266.344 3.456 20 10 CGCDRN CC[C@H](N[C@H]1CCc2cccc(O)c21)C(F)(F)F ZINC000834779897 623828695 /nfs/dbraw/zinc/82/86/95/623828695.db2.gz YDFBHXVGTUZSEV-ONGXEEELSA-N 0 0 259.271 3.310 20 10 CGCDRN 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JBLHDFCWOLMOQP-AWEZNQCLSA-N 0 0 298.386 3.330 20 10 CGCDRN CCC(C)(C)NC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774251595 627968727 /nfs/dbraw/zinc/96/87/27/627968727.db2.gz SLRCAOLICFUFOJ-GFCCVEGCSA-N 0 0 293.480 3.466 20 10 CGCDRN Cc1ccccc1C[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000774930495 628050019 /nfs/dbraw/zinc/05/00/19/628050019.db2.gz STSVWUUJKMXHLG-LBPRGKRZSA-N 0 0 289.400 3.465 20 10 CGCDRN CCC(CC)(CC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775014760 628054217 /nfs/dbraw/zinc/05/42/17/628054217.db2.gz NWGURLRYNQLVJZ-UHFFFAOYSA-N 0 0 296.367 3.367 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CC1 ZINC000775700760 628127687 /nfs/dbraw/zinc/12/76/87/628127687.db2.gz IIALCDPNYKFYNJ-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000775726055 628129100 /nfs/dbraw/zinc/12/91/00/628129100.db2.gz ONKLNPITYKNGJA-JTQLQIEISA-N 0 0 269.747 3.417 20 10 CGCDRN Cc1cc(C(=O)N2CC[C@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000775900591 628147540 /nfs/dbraw/zinc/14/75/40/628147540.db2.gz QNVKPAOBCPRAIM-INIZCTEOSA-N 0 0 297.402 3.360 20 10 CGCDRN COc1ccc(N(CCCn2ccnc2)CC(C)C)cc1 ZINC000775986629 628155594 /nfs/dbraw/zinc/15/55/94/628155594.db2.gz UCYLIMUSZMQDLS-UHFFFAOYSA-N 0 0 287.407 3.444 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000776145154 628170861 /nfs/dbraw/zinc/17/08/61/628170861.db2.gz XHZBHPPCMNZUQE-DZGCQCFKSA-N 0 0 287.407 3.222 20 10 CGCDRN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776175052 628175850 /nfs/dbraw/zinc/17/58/50/628175850.db2.gz TXNIRSHEEHCNRJ-YMTOWFKASA-N 0 0 289.778 3.071 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776220312 628182340 /nfs/dbraw/zinc/18/23/40/628182340.db2.gz UQCSIKNIBHFOMV-SECBINFHSA-N 0 0 289.778 3.478 20 10 CGCDRN CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776243176 628183662 /nfs/dbraw/zinc/18/36/62/628183662.db2.gz CPHVNHRQEUKCGZ-LBPRGKRZSA-N 0 0 275.396 3.008 20 10 CGCDRN CC1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776253144 628185389 /nfs/dbraw/zinc/18/53/89/628185389.db2.gz SOTNXNZYGZPIAW-LLVKDONJSA-N 0 0 287.762 3.232 20 10 CGCDRN CCOc1cccc(NCc2c(O)cccc2Cl)n1 ZINC000777520223 628277934 /nfs/dbraw/zinc/27/79/34/628277934.db2.gz NCOGTAUAZDNNSH-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN CC(C)(C)OC(=O)N1CC(CSc2nccs2)C1 ZINC000779369546 628409865 /nfs/dbraw/zinc/40/98/65/628409865.db2.gz WFINBNYVPVYSCR-UHFFFAOYSA-N 0 0 286.422 3.102 20 10 CGCDRN CC(C)c1cccnc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779536443 628416465 /nfs/dbraw/zinc/41/64/65/628416465.db2.gz WVECMNWKQNVSLR-VURMDHGXSA-N 0 0 298.342 3.268 20 10 CGCDRN COc1cccc(CN2CCc3cc(C)ccc32)c1O ZINC000780769557 628516394 /nfs/dbraw/zinc/51/63/94/628516394.db2.gz VIZBTSJWBWLCNW-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN COCc1cnc(CN(C)c2ccc(OC)c(F)c2)s1 ZINC000780779634 628516594 /nfs/dbraw/zinc/51/65/94/628516594.db2.gz QJTJBJSFZXTVEP-UHFFFAOYSA-N 0 0 296.367 3.074 20 10 CGCDRN COc1ccc(N(C)Cc2cnc3cccc(C)n23)cc1F ZINC000780779515 628516702 /nfs/dbraw/zinc/51/67/02/628516702.db2.gz JAMCDFQYIYTPCF-UHFFFAOYSA-N 0 0 299.349 3.427 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000780908463 628523457 /nfs/dbraw/zinc/52/34/57/628523457.db2.gz ZUAMIXQIQCUWPD-JTQLQIEISA-N 0 0 291.372 3.267 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)co1 ZINC000781036623 628531142 /nfs/dbraw/zinc/53/11/42/628531142.db2.gz VPWATSJUVDBXNQ-LBPRGKRZSA-N 0 0 272.348 3.145 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2CC[C@@H]1CCOC1 ZINC000783668520 628737315 /nfs/dbraw/zinc/73/73/15/628737315.db2.gz TYECGMYTYKPALN-GFCCVEGCSA-N 0 0 297.345 3.467 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1Cc2ccccc21)c1ccccc1O ZINC000875136600 634679265 /nfs/dbraw/zinc/67/92/65/634679265.db2.gz LFQYDTAIAFGYMI-TZMCWYRMSA-N 0 0 296.370 3.092 20 10 CGCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000783963381 628761034 /nfs/dbraw/zinc/76/10/34/628761034.db2.gz GCUHRBIJJOZUPR-MRVPVSSYSA-N 0 0 281.299 3.161 20 10 CGCDRN C[C@H]([NH2+]CCCCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000786939184 628971664 /nfs/dbraw/zinc/97/16/64/628971664.db2.gz BRBVCJAHMUNCLC-QMMMGPOBSA-N 0 0 278.179 3.122 20 10 CGCDRN CO[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000786953564 628972190 /nfs/dbraw/zinc/97/21/90/628972190.db2.gz MCUWIFPJKOLDEC-UFBFGSQYSA-N 0 0 295.276 3.149 20 10 CGCDRN CO[C@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788754260 629078994 /nfs/dbraw/zinc/07/89/94/629078994.db2.gz AWBXVWYWRXUZFC-RKDXNWHRSA-N 0 0 277.286 3.097 20 10 CGCDRN O=C(NCc1ccc(C2CC2)cc1)NCc1ccccc1O ZINC000790265088 629198495 /nfs/dbraw/zinc/19/84/95/629198495.db2.gz QIWSSZZQFMARDP-UHFFFAOYSA-N 0 0 296.370 3.269 20 10 CGCDRN CN(C)c1ccc(CNC(=S)Nc2ccsc2)cc1 ZINC000790300522 629201820 /nfs/dbraw/zinc/20/18/20/629201820.db2.gz BEMXPADTDAMEFV-UHFFFAOYSA-N 0 0 291.445 3.301 20 10 CGCDRN CN(C)c1ccc(CN2CCO[C@H](C(C)(C)C)C2)cc1F ZINC000790930678 629241204 /nfs/dbraw/zinc/24/12/04/629241204.db2.gz GWMVBWMBCWMREM-INIZCTEOSA-N 0 0 294.414 3.139 20 10 CGCDRN CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000790927446 629241640 /nfs/dbraw/zinc/24/16/40/629241640.db2.gz GSCNVCGAMWCUBD-CQSZACIVSA-N 0 0 296.842 3.256 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCSC1 ZINC000790973604 629244689 /nfs/dbraw/zinc/24/46/89/629244689.db2.gz OOZAIIPKJIMDKD-QMMMGPOBSA-N 0 0 275.776 3.170 20 10 CGCDRN CC[C@@H](C)n1ncc(NCc2c(O)cccc2OC)c1C ZINC000791004476 629249034 /nfs/dbraw/zinc/24/90/34/629249034.db2.gz JXPCVVRIAJSTSK-LLVKDONJSA-N 0 0 289.379 3.489 20 10 CGCDRN CC(C)(C(=O)NCCCSc1nccs1)C(F)F ZINC000792166170 629342393 /nfs/dbraw/zinc/34/23/93/629342393.db2.gz QLZGFLHOTOZGOP-UHFFFAOYSA-N 0 0 294.392 3.033 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C)o2)cc1Cl ZINC000862306800 629342951 /nfs/dbraw/zinc/34/29/51/629342951.db2.gz OWCXWWYCTVROAK-UHFFFAOYSA-N 0 0 266.728 3.281 20 10 CGCDRN Cc1nc(CN(C)c2ccc(OC(C)C)cc2)[nH]c1C ZINC000862347134 629346007 /nfs/dbraw/zinc/34/60/07/629346007.db2.gz NYCTXNVAKVMASJ-UHFFFAOYSA-N 0 0 273.380 3.450 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC000862353964 629347336 /nfs/dbraw/zinc/34/73/36/629347336.db2.gz HBQDEOFBPJFVKZ-CYBMUJFWSA-N 0 0 298.377 3.032 20 10 CGCDRN CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCOC1 ZINC000862403225 629365006 /nfs/dbraw/zinc/36/50/06/629365006.db2.gz NENVPKAZJRPLTE-ZDUSSCGKSA-N 0 0 298.377 3.032 20 10 CGCDRN CCCCC[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792777042 629381426 /nfs/dbraw/zinc/38/14/26/629381426.db2.gz LMOFTIXZXISHSH-LBPRGKRZSA-N 0 0 294.395 3.169 20 10 CGCDRN CC(C)C1C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793190067 629426166 /nfs/dbraw/zinc/42/61/66/629426166.db2.gz RIQPYZUWZKWXEO-UHFFFAOYSA-N 0 0 257.736 3.273 20 10 CGCDRN CCCC[C@](C)(F)C(=O)NCc1cc(C)ccc1O ZINC000862753506 629429134 /nfs/dbraw/zinc/42/91/34/629429134.db2.gz DXLAUWSXCLHZLX-HNNXBMFYSA-N 0 0 267.344 3.235 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@]2(C)CCC[C@H]2C)c1 ZINC000862755798 629430021 /nfs/dbraw/zinc/43/00/21/629430021.db2.gz YNVZCTBKDFJXOW-MLGOLLRUSA-N 0 0 261.365 3.143 20 10 CGCDRN CCC(CC)[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862757857 629430529 /nfs/dbraw/zinc/43/05/29/629430529.db2.gz GSQKHCJIFWGOOP-LBPRGKRZSA-N 0 0 263.381 3.389 20 10 CGCDRN Cc1cccc(CCC(=O)NCc2cc(C)ccc2O)c1 ZINC000862759341 629430712 /nfs/dbraw/zinc/43/07/12/629430712.db2.gz CZWVCTUOUOKDME-UHFFFAOYSA-N 0 0 283.371 3.258 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C/C2CCCCC2)c1 ZINC000862759879 629430773 /nfs/dbraw/zinc/43/07/73/629430773.db2.gz JPZSFOAIFQSLQH-CSKARUKUSA-N 0 0 273.376 3.453 20 10 CGCDRN CCOc1cccc(CNc2cccc3c2CCO3)c1O ZINC000793325100 629443694 /nfs/dbraw/zinc/44/36/94/629443694.db2.gz GOBBHKDVERPMLL-UHFFFAOYSA-N 0 0 285.343 3.338 20 10 CGCDRN C[C@H]1CC=C(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000836259217 634740385 /nfs/dbraw/zinc/74/03/85/634740385.db2.gz UDXURLGRYOXANX-AWEZNQCLSA-N 0 0 286.419 3.457 20 10 CGCDRN COc1ccc(O)c(CNc2ccc3oc(CO)cc3c2)c1 ZINC000864041117 629735177 /nfs/dbraw/zinc/73/51/77/629735177.db2.gz JYEATUKJTQGBSG-UHFFFAOYSA-N 0 0 299.326 3.251 20 10 CGCDRN C[C@@H]1CSC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796482028 629788642 /nfs/dbraw/zinc/78/86/42/629788642.db2.gz JXOLVIYQZRHKIH-XCBNKYQSSA-N 0 0 275.776 3.026 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(C)n1)c1ccc(F)cc1[O-] ZINC000796703872 629817635 /nfs/dbraw/zinc/81/76/35/629817635.db2.gz YUAXPSQEPVRNFF-HNNXBMFYSA-N 0 0 274.339 3.476 20 10 CGCDRN CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796745953 629823920 /nfs/dbraw/zinc/82/39/20/629823920.db2.gz UJEGUIHKGXAGIN-DOMZBBRYSA-N 0 0 282.403 3.302 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000796792618 629835091 /nfs/dbraw/zinc/83/50/91/629835091.db2.gz JYQZVKAGZNXFSS-YPMHNXCESA-N 0 0 269.385 3.468 20 10 CGCDRN CCc1occc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000797745228 629980343 /nfs/dbraw/zinc/98/03/43/629980343.db2.gz YMQUZBFQKVGSBL-SNVBAGLBSA-N 0 0 289.331 3.047 20 10 CGCDRN CCc1ccnc(CNC(=S)Nc2ccccc2)c1 ZINC000797792972 629983548 /nfs/dbraw/zinc/98/35/48/629983548.db2.gz KPRPNBDAVPKWOF-UHFFFAOYSA-N 0 0 271.389 3.131 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCC(F)(F)C1 ZINC000797931503 630003186 /nfs/dbraw/zinc/00/31/86/630003186.db2.gz JJCIQXJUUUHJEV-LLVKDONJSA-N 0 0 283.318 3.176 20 10 CGCDRN CCN(CC)C(=O)c1ccc(NCc2ccccc2O)cc1 ZINC000798079669 630020199 /nfs/dbraw/zinc/02/01/99/630020199.db2.gz MQNJHFVODQXESL-UHFFFAOYSA-N 0 0 298.386 3.486 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000799739739 630229489 /nfs/dbraw/zinc/22/94/89/630229489.db2.gz CJRXVTOAEPQFID-STQMWFEESA-N 0 0 287.762 3.232 20 10 CGCDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC000799952002 630245355 /nfs/dbraw/zinc/24/53/55/630245355.db2.gz CHMABPCFJDGNDD-VIFPVBQESA-N 0 0 292.364 3.290 20 10 CGCDRN COc1cccc(CNc2ccc3c(c2)ncn3C)c1F ZINC000800248575 630255988 /nfs/dbraw/zinc/25/59/88/630255988.db2.gz SNGGLRQYBSWEHP-UHFFFAOYSA-N 0 0 285.322 3.333 20 10 CGCDRN CCSCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000800492719 630287744 /nfs/dbraw/zinc/28/77/44/630287744.db2.gz NFPQZQZHBGUFMM-VIFPVBQESA-N 0 0 275.364 3.464 20 10 CGCDRN CC[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915474 630295109 /nfs/dbraw/zinc/29/51/09/630295109.db2.gz FLLNMJTVFXEFCI-TZMCWYRMSA-N 0 0 276.424 3.154 20 10 CGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)c(C)c(OC)c1 ZINC000800696664 630295609 /nfs/dbraw/zinc/29/56/09/630295609.db2.gz NMNCOMIJRTUNII-UHFFFAOYSA-N 0 0 293.344 3.032 20 10 CGCDRN CC1(C)SC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000801735546 630354270 /nfs/dbraw/zinc/35/42/70/630354270.db2.gz KNMZCKOQRGXHDZ-JTQLQIEISA-N 0 0 275.776 3.168 20 10 CGCDRN CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000801927874 630368698 /nfs/dbraw/zinc/36/86/98/630368698.db2.gz FCELYZGCONYWAF-DLBZAZTESA-N 0 0 295.382 3.375 20 10 CGCDRN CCc1[nH]ccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000803120693 630448488 /nfs/dbraw/zinc/44/84/88/630448488.db2.gz JPXRQKPEAKVAEN-LBPRGKRZSA-N 0 0 285.391 3.134 20 10 CGCDRN CCCN(C(=O)/C=C/c1cnccn1)c1ccc(CC)cc1 ZINC000836848792 634815319 /nfs/dbraw/zinc/81/53/19/634815319.db2.gz BSTZLEHPPWBXJG-JXMROGBWSA-N 0 0 295.386 3.495 20 10 CGCDRN CSc1cnc(NCCCSc2nccs2)nc1 ZINC000804452985 630528133 /nfs/dbraw/zinc/52/81/33/630528133.db2.gz SDZZASQLNOIADB-UHFFFAOYSA-N 0 0 298.462 3.249 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]1C ZINC000807556130 630593219 /nfs/dbraw/zinc/59/32/19/630593219.db2.gz IYINLLJGQHIKBF-XJKSGUPXSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1O ZINC000807950377 630608546 /nfs/dbraw/zinc/60/85/46/630608546.db2.gz RFNZREBAMCNDDS-UHFFFAOYSA-N 0 0 286.287 3.115 20 10 CGCDRN CCOc1cccc(CNc2ccc3c(c2)C(=O)OC3)c1O ZINC000809788187 630809666 /nfs/dbraw/zinc/80/96/66/630809666.db2.gz IOGDOTFDQGLDHR-UHFFFAOYSA-N 0 0 299.326 3.073 20 10 CGCDRN Cc1cc(O)c(CNc2ccc3c(c2)C(=O)OC3)cc1C ZINC000809788638 630809939 /nfs/dbraw/zinc/80/99/39/630809939.db2.gz UIHMCWZAFNZDGK-UHFFFAOYSA-N 0 0 283.327 3.292 20 10 CGCDRN Cc1cc([C@@H](C)NCc2ccc(N(C)C)cc2C)no1 ZINC000810219702 630855913 /nfs/dbraw/zinc/85/59/13/630855913.db2.gz VSNIWTSEMCKTBZ-CYBMUJFWSA-N 0 0 273.380 3.208 20 10 CGCDRN Cc1cc(CN2CCn3cncc3C2)c(O)c(C(C)(C)C)c1 ZINC000811789049 631120495 /nfs/dbraw/zinc/12/04/95/631120495.db2.gz XAFBKYXTZAXTSN-UHFFFAOYSA-N 0 0 299.418 3.210 20 10 CGCDRN Cc1nn(C)c2cc(NCc3cc(F)ccc3O)ccc12 ZINC000812773839 631305534 /nfs/dbraw/zinc/30/55/34/631305534.db2.gz VISWXYIDRNCOTE-UHFFFAOYSA-N 0 0 285.322 3.339 20 10 CGCDRN CC(C)[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000812777218 631306717 /nfs/dbraw/zinc/30/67/17/631306717.db2.gz ZLKPINQPHDSNEZ-SNVBAGLBSA-N 0 0 287.762 3.184 20 10 CGCDRN CCC1(C)CN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000813071798 631346269 /nfs/dbraw/zinc/34/62/69/631346269.db2.gz FDBLCAJYSFORJS-UHFFFAOYSA-N 0 0 289.423 3.003 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000876527625 634850557 /nfs/dbraw/zinc/85/05/57/634850557.db2.gz CKGHWBSSXXWVQB-GDBMZVCRSA-N 0 0 274.408 3.144 20 10 CGCDRN CC1(C(=O)NCCc2ccc(N)cc2)CCC(F)(F)CC1 ZINC000876527395 634850659 /nfs/dbraw/zinc/85/06/59/634850659.db2.gz CTWZOKAVCQJKJA-UHFFFAOYSA-N 0 0 296.361 3.143 20 10 CGCDRN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876545159 634853785 /nfs/dbraw/zinc/85/37/85/634853785.db2.gz BQRBSXNCBOOEHX-AWEZNQCLSA-N 0 0 292.329 3.346 20 10 CGCDRN CCCN(CCC)c1ccc(C[NH2+][C@H](CC)C(=O)[O-])cc1 ZINC000813355030 631415336 /nfs/dbraw/zinc/41/53/36/631415336.db2.gz VLOHEMDGLYWZIJ-MRXNPFEDSA-N 0 0 292.423 3.266 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1[O-] ZINC000815642538 631810858 /nfs/dbraw/zinc/81/08/58/631810858.db2.gz FKRXBIMTCZSZRD-VHSXEESVSA-N 0 0 276.311 3.044 20 10 CGCDRN OCCN(Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816588498 632019058 /nfs/dbraw/zinc/01/90/58/632019058.db2.gz PSTGMMFWRWLPCK-UHFFFAOYSA-N 0 0 295.741 3.184 20 10 CGCDRN Cn1cc(/C=C\C(=O)N2CC(C)(C)Cc3ccccc32)cn1 ZINC000816901090 632059166 /nfs/dbraw/zinc/05/91/66/632059166.db2.gz BSPXBOGXNOEKLH-HJWRWDBZSA-N 0 0 295.386 3.049 20 10 CGCDRN CC(C)(C)C(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000817088654 632077088 /nfs/dbraw/zinc/07/70/88/632077088.db2.gz FUPAYENQXODXIU-CLFYSBASSA-N 0 0 291.391 3.300 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CC2 ZINC000817428032 632153081 /nfs/dbraw/zinc/15/30/81/632153081.db2.gz YPQWMBSCWUYNQX-MRXNPFEDSA-N 0 0 286.419 3.290 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC23CC3)cc1F ZINC000817531368 632181196 /nfs/dbraw/zinc/18/11/96/632181196.db2.gz NPZPXIHWCSXUGT-ZDUSSCGKSA-N 0 0 290.382 3.088 20 10 CGCDRN CCn1nccc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817761019 632222871 /nfs/dbraw/zinc/22/28/71/632222871.db2.gz JTUYUTVHCIYTCB-UHFFFAOYSA-N 0 0 297.358 3.231 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C[C@@H]3CCOC3)cc12 ZINC000817762865 632223564 /nfs/dbraw/zinc/22/35/64/632223564.db2.gz YUIZIFDACOKEQF-ZDUSSCGKSA-N 0 0 287.359 3.127 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)/C=C/[C@H]3CCOC3)cc12 ZINC000817760604 632223593 /nfs/dbraw/zinc/22/35/93/632223593.db2.gz BGDGRHLICSHECT-GBXSZLQWSA-N 0 0 299.370 3.293 20 10 CGCDRN CCC[NH2+]CCN[C@@H](CC)c1cc(Cl)ccc1O ZINC000817962214 632257592 /nfs/dbraw/zinc/25/75/92/632257592.db2.gz JDPZRMHPFWCPNH-ZDUSSCGKSA-N 0 0 270.804 3.086 20 10 CGCDRN CC(C)Oc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000818546325 632331751 /nfs/dbraw/zinc/33/17/51/632331751.db2.gz NPZYUQZEAICEFG-UHFFFAOYSA-N 0 0 298.386 3.029 20 10 CGCDRN Nc1ccc(CCNC(=O)/C(F)=C/C2CCCCC2)cc1 ZINC000818545029 632332466 /nfs/dbraw/zinc/33/24/66/632332466.db2.gz BOLCXYCMYDBJJC-VBKFSLOCSA-N 0 0 290.382 3.361 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C(F)=C2CCC2)cc1 ZINC000819041363 632370265 /nfs/dbraw/zinc/37/02/65/632370265.db2.gz TZWIBBRXWNYAMV-UHFFFAOYSA-N 0 0 276.355 3.119 20 10 CGCDRN COc1ccccc1NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000819394327 632448175 /nfs/dbraw/zinc/44/81/75/632448175.db2.gz XYHWRRLWTBLFDB-AWEZNQCLSA-N 0 0 291.778 3.364 20 10 CGCDRN CC(C)COC[C@H](O)CNc1ccccc1OCC(C)C ZINC000819416782 632454577 /nfs/dbraw/zinc/45/45/77/632454577.db2.gz RLAALVOVZZKJBU-OAHLLOKOSA-N 0 0 295.423 3.167 20 10 CGCDRN CC[C@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820777050 632676133 /nfs/dbraw/zinc/67/61/33/632676133.db2.gz RVPUVHFBATWCHV-GXFFZTMASA-N 0 0 288.351 3.158 20 10 CGCDRN COC(=O)C(C)(C)CSc1ncc(Cl)s1 ZINC000866007716 632973807 /nfs/dbraw/zinc/97/38/07/632973807.db2.gz NNLPNINCCLGCPR-UHFFFAOYSA-N 0 0 265.787 3.088 20 10 CGCDRN C[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822602020 632981796 /nfs/dbraw/zinc/98/17/96/632981796.db2.gz FHMVTGLAJLJLRZ-MNOVXSKESA-N 0 0 288.351 3.015 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C(F)(F)CC)cc1 ZINC000822607570 632983982 /nfs/dbraw/zinc/98/39/82/632983982.db2.gz KTUMPKFCMNSDMF-UHFFFAOYSA-N 0 0 284.350 3.194 20 10 CGCDRN CCc1nc(C)cc(N[C@H](C)c2ccccc2O)n1 ZINC000866238087 633039847 /nfs/dbraw/zinc/03/98/47/633039847.db2.gz LYCOKQXDPPYLGS-LLVKDONJSA-N 0 0 257.337 3.226 20 10 CGCDRN CCN(CC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823073386 633055705 /nfs/dbraw/zinc/05/57/05/633055705.db2.gz YCZJAYQVNBUIBZ-UHFFFAOYSA-N 0 0 290.367 3.357 20 10 CGCDRN Cc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1F ZINC000841494369 633122654 /nfs/dbraw/zinc/12/26/54/633122654.db2.gz 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/nfs/dbraw/zinc/20/65/20/633206520.db2.gz JUIZCEKQYQVICT-DTZQCDIJSA-N 0 0 287.403 3.423 20 10 CGCDRN CC[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccccc1O ZINC000866638070 633226650 /nfs/dbraw/zinc/22/66/50/633226650.db2.gz NDTCTSYUJUSSNP-JKSUJKDBSA-N 0 0 277.408 3.374 20 10 CGCDRN COc1cc(Cl)cc(CN2CCC[C@](C)(F)C2)c1O ZINC000824471930 633248644 /nfs/dbraw/zinc/24/86/44/633248644.db2.gz JHJHUVMAYOEBJS-AWEZNQCLSA-N 0 0 287.762 3.378 20 10 CGCDRN COc1cccc(CNc2ccc(-n3cccn3)cc2)c1O ZINC000121737532 633257791 /nfs/dbraw/zinc/25/77/91/633257791.db2.gz NCEKRQKKQFEDNZ-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C(C)(C)C)o2)cc1F ZINC000121824058 633267184 /nfs/dbraw/zinc/26/71/84/633267184.db2.gz RSHWTNDOGXBGKZ-UHFFFAOYSA-N 0 0 293.342 3.151 20 10 CGCDRN CCCCCCNC(=O)N[C@H](C)c1ccccc1O ZINC000867995840 633287168 /nfs/dbraw/zinc/28/71/68/633287168.db2.gz JTDAXZZSWNWCBS-GFCCVEGCSA-N 0 0 264.369 3.333 20 10 CGCDRN Cc1cncc([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)c1 ZINC000868162160 633300240 /nfs/dbraw/zinc/30/02/40/633300240.db2.gz DZPOEWVUVFTBCN-MRXNPFEDSA-N 0 0 296.374 3.341 20 10 CGCDRN CCn1ccnc1[C@@H](C)NCc1c(O)cccc1Cl ZINC000825005345 633316639 /nfs/dbraw/zinc/31/66/39/633316639.db2.gz HXQGHKRGRBAXQH-SNVBAGLBSA-N 0 0 279.771 3.113 20 10 CGCDRN CC(C)C1(CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868348052 633317180 /nfs/dbraw/zinc/31/71/80/633317180.db2.gz JSZGWPABLJUKTM-GFCCVEGCSA-N 0 0 276.380 3.189 20 10 CGCDRN Cc1cscc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868547833 633334374 /nfs/dbraw/zinc/33/43/74/633334374.db2.gz LIXLZNXPRLJSAS-NSHDSACASA-N 0 0 290.388 3.323 20 10 CGCDRN CSC1(CNC(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000868554076 633335803 /nfs/dbraw/zinc/33/58/03/633335803.db2.gz MSXZCSUQMSQCQZ-LLVKDONJSA-N 0 0 294.420 3.038 20 10 CGCDRN COc1ccc(N(C)Cc2c(C3CC3)cnn2C)cc1F ZINC000825469440 633356403 /nfs/dbraw/zinc/35/64/03/633356403.db2.gz XYDZJFDINZLEDY-UHFFFAOYSA-N 0 0 289.354 3.082 20 10 CGCDRN Cc1nnc([C@@H](C)NCc2cc(Cl)c(C)cc2O)s1 ZINC000825515257 633361385 /nfs/dbraw/zinc/36/13/85/633361385.db2.gz ZOXIMTXRGHSPDH-MRVPVSSYSA-N 0 0 297.811 3.365 20 10 CGCDRN Cc1ccn(-c2ccccc2NCc2ccccc2O)n1 ZINC000122418671 633403754 /nfs/dbraw/zinc/40/37/54/633403754.db2.gz JLSUQTCADWCTLZ-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccn1 ZINC000826802621 633433972 /nfs/dbraw/zinc/43/39/72/633433972.db2.gz IDSCTAHXQHLCOM-JTQLQIEISA-N 0 0 294.757 3.473 20 10 CGCDRN CC1(C)CC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845196091 636014067 /nfs/dbraw/zinc/01/40/67/636014067.db2.gz LMAPQQYEUCPSPW-LBPRGKRZSA-N 0 0 282.771 3.033 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000826877928 633439870 /nfs/dbraw/zinc/43/98/70/633439870.db2.gz OJLPFCXRKBKDHA-GOSISDBHSA-N 0 0 288.435 3.062 20 10 CGCDRN CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc(F)c1[O-] ZINC000826903651 633442241 /nfs/dbraw/zinc/44/22/41/633442241.db2.gz SEGCYGXAQKATSD-UHFFFAOYSA-N 0 0 283.387 3.198 20 10 CGCDRN COCCN(CCF)Cc1ccc(N2CCCCC2)cc1 ZINC000827061276 633454022 /nfs/dbraw/zinc/45/40/22/633454022.db2.gz OHZCHJOUSOCLEV-UHFFFAOYSA-N 0 0 294.414 3.095 20 10 CGCDRN CC(C)CN(CC(C)C)C(=O)C1=CC(=O)CS1 ZINC000827482702 633493609 /nfs/dbraw/zinc/49/36/09/633493609.db2.gz ZGMLCDKYQCNHPL-UHFFFAOYSA-N 0 0 255.383 3.208 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCC[C@H]1CCOC1 ZINC000827732301 633513186 /nfs/dbraw/zinc/51/31/86/633513186.db2.gz BHCWUYNVDGZXNP-AWEZNQCLSA-N 0 0 275.392 3.265 20 10 CGCDRN Cc1cc(O)c(C[N@H+](C)CC2=CCSC2)cc1Cl ZINC000827812503 633520567 /nfs/dbraw/zinc/52/05/67/633520567.db2.gz NWHLCHGNZJPXKL-UHFFFAOYSA-N 0 0 283.824 3.459 20 10 CGCDRN CCO[C@H](CC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000827937356 633537311 /nfs/dbraw/zinc/53/73/11/633537311.db2.gz SZXIPKSWZMHTTC-IUODEOHRSA-N 0 0 279.380 3.021 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000827952073 633539141 /nfs/dbraw/zinc/53/91/41/633539141.db2.gz FSFFYYIGNYDICN-NMKXLXIOSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccccc1O ZINC000827952300 633539189 /nfs/dbraw/zinc/53/91/89/633539189.db2.gz MYRGNIYOGAJDQC-PWSUYJOCSA-N 0 0 283.318 3.395 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1O ZINC000827952358 633539940 /nfs/dbraw/zinc/53/99/40/633539940.db2.gz PGGLCUDIBMYRCU-FDYHWXHSSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@H](NC(=O)[C@]12C[C@H]1CCCC2)c1ccccc1O ZINC000827957584 633540763 /nfs/dbraw/zinc/54/07/63/633540763.db2.gz WDJPBCPMHNXTJV-HWWQOWPSSA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1ccccc1O ZINC000827970183 633542981 /nfs/dbraw/zinc/54/29/81/633542981.db2.gz YZNWTDXPHFNMCM-AGIUHOORSA-N 0 0 261.365 3.396 20 10 CGCDRN CCc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827978001 633543601 /nfs/dbraw/zinc/54/36/01/633543601.db2.gz FYAJEQZNPCGFIZ-VIFPVBQESA-N 0 0 290.388 3.211 20 10 CGCDRN COc1cccc(NNC(=S)Nc2ccccc2)c1 ZINC000018167649 633570588 /nfs/dbraw/zinc/57/05/88/633570588.db2.gz DETKCVKLVOHZHC-UHFFFAOYSA-N 0 0 273.361 3.009 20 10 CGCDRN CC1=CC[C@@](C)(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205857 633725429 /nfs/dbraw/zinc/72/54/29/633725429.db2.gz LRYOBGKCRJZLSD-QGZVFWFLSA-N 0 0 271.360 3.371 20 10 CGCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871206964 633726286 /nfs/dbraw/zinc/72/62/86/633726286.db2.gz GSQJLKYVIFVUCS-JKSUJKDBSA-N 0 0 293.366 3.347 20 10 CGCDRN COC(=O)c1cnc(SCC2CCCC2)s1 ZINC000829677890 633764845 /nfs/dbraw/zinc/76/48/45/633764845.db2.gz QBDPDKNOGULJCW-UHFFFAOYSA-N 0 0 257.380 3.212 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCc1nc(CC2CC2)no1 ZINC000871736149 633846656 /nfs/dbraw/zinc/84/66/56/633846656.db2.gz CEEHYJOUCUHRDX-UHFFFAOYSA-N 0 0 299.374 3.201 20 10 CGCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2O)cc1C ZINC000830527104 633868884 /nfs/dbraw/zinc/86/88/84/633868884.db2.gz UVQAINYCBVHDTL-DLBZAZTESA-N 0 0 295.382 3.429 20 10 CGCDRN Cc1noc(CNc2ccccc2NC(C)C)c1[N+](=O)[O-] ZINC000871846442 633892620 /nfs/dbraw/zinc/89/26/20/633892620.db2.gz OFIXRARCWTTYQU-UHFFFAOYSA-N 0 0 290.323 3.324 20 10 CGCDRN C[C@@H](NC(=O)OC1CCC1)c1ccc(N(C)C)cc1 ZINC000831141479 633920487 /nfs/dbraw/zinc/92/04/87/633920487.db2.gz UASFEXCVGIXKMH-LLVKDONJSA-N 0 0 262.353 3.092 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC1 ZINC000123937874 633995228 /nfs/dbraw/zinc/99/52/28/633995228.db2.gz WXSTYFSORSXORD-UHFFFAOYSA-N 0 0 268.360 3.248 20 10 CGCDRN CCO[C@H](C)c1ncc(C(=O)Nc2ccc(N)cc2)s1 ZINC000832244032 634038724 /nfs/dbraw/zinc/03/87/24/634038724.db2.gz GQMNLCIQVKUVSS-SECBINFHSA-N 0 0 291.376 3.075 20 10 CGCDRN C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(Cl)cc1[O-] ZINC000846210229 636159519 /nfs/dbraw/zinc/15/95/19/636159519.db2.gz LTLKZBSRYPERPA-NSHDSACASA-N 0 0 283.799 3.249 20 10 CGCDRN CCn1ncc(N[C@H]2CCc3cccc(O)c32)c1C ZINC000872139127 634062251 /nfs/dbraw/zinc/06/22/51/634062251.db2.gz GMTKFBTUYSJOHQ-LBPRGKRZSA-N 0 0 257.337 3.016 20 10 CGCDRN CC(C)OC(=O)[C@@H](N[C@H](C)c1ccc(F)cc1O)C(C)C ZINC000834885738 634266559 /nfs/dbraw/zinc/26/65/59/634266559.db2.gz NFFVWYXUUUNLJU-ABAIWWIYSA-N 0 0 297.370 3.158 20 10 CGCDRN CCc1nc(CN[C@H](C)c2ccc(C)cc2O)co1 ZINC000834897471 634274622 /nfs/dbraw/zinc/27/46/22/634274622.db2.gz GTWBYASJIPPKQR-LLVKDONJSA-N 0 0 260.337 3.102 20 10 CGCDRN C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000834903879 634280241 /nfs/dbraw/zinc/28/02/41/634280241.db2.gz KSWKGJJIQRHYMR-GFCCVEGCSA-N 0 0 285.391 3.469 20 10 CGCDRN CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000834905098 634281486 /nfs/dbraw/zinc/28/14/86/634281486.db2.gz QVSMKBZCDKPCKG-DOMZBBRYSA-N 0 0 281.371 3.389 20 10 CGCDRN CCn1ncc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000873196160 634281566 /nfs/dbraw/zinc/28/15/66/634281566.db2.gz OKTVASRIBYNRIE-UHFFFAOYSA-N 0 0 276.359 3.029 20 10 CGCDRN CCC(C)(C)OCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000835085696 634349622 /nfs/dbraw/zinc/34/96/22/634349622.db2.gz YZBSDOHLLIQZIO-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC12CCC2 ZINC000876429733 634834026 /nfs/dbraw/zinc/83/40/26/634834026.db2.gz WCJXMRCQUMIWBT-OAHLLOKOSA-N 0 0 288.391 3.256 20 10 CGCDRN Nc1ccc(CNC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000837303054 634881719 /nfs/dbraw/zinc/88/17/19/634881719.db2.gz RMDHWJBWGUJHMB-OAHLLOKOSA-N 0 0 294.398 3.080 20 10 CGCDRN COc1cc(OC)c(NCc2ccc(C)cc2O)cc1F ZINC000876867945 634916941 /nfs/dbraw/zinc/91/69/41/634916941.db2.gz QNECYTFSQPSBCC-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN CC(C)(C)C1CC(C(=O)NCc2ccccc2O)C1 ZINC000837482018 634917944 /nfs/dbraw/zinc/91/79/44/634917944.db2.gz UKNNCZMXYBLGKU-UHFFFAOYSA-N 0 0 261.365 3.081 20 10 CGCDRN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877075874 634973606 /nfs/dbraw/zinc/97/36/06/634973606.db2.gz QWFPQSFUMQCGAQ-WBMJQRKESA-N 0 0 299.361 3.211 20 10 CGCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)c1ccc(N)cc1 ZINC000877077306 634974322 /nfs/dbraw/zinc/97/43/22/634974322.db2.gz CBYFUAIFBPVWRA-QGZVFWFLSA-N 0 0 298.386 3.398 20 10 CGCDRN Cc1ccc(C[C@@H](C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877076961 634974495 /nfs/dbraw/zinc/97/44/95/634974495.db2.gz YNINDURMSIFWAE-CQSZACIVSA-N 0 0 282.387 3.419 20 10 CGCDRN Cc1ccc(CNc2ccc3c(c2)COC3)c(O)c1 ZINC000877118785 634989110 /nfs/dbraw/zinc/98/91/10/634989110.db2.gz MUBCHIOJORBWMA-UHFFFAOYSA-N 0 0 255.317 3.343 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(Cl)nn2)cc1 ZINC000877179483 635008202 /nfs/dbraw/zinc/00/82/02/635008202.db2.gz CIGJYUXDDXSTLM-UHFFFAOYSA-N 0 0 277.755 3.165 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc(CCCO)c1 ZINC000877192192 635010875 /nfs/dbraw/zinc/01/08/75/635010875.db2.gz HTXBATONBYPATO-UHFFFAOYSA-N 0 0 271.360 3.238 20 10 CGCDRN Cc1cnc([C@@H](C)C[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877339743 635028965 /nfs/dbraw/zinc/02/89/65/635028965.db2.gz ACWJOUCOZGSQKQ-QMMMGPOBSA-N 0 0 298.358 3.329 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCCC3(CC3)C2)ccc(F)c1F ZINC000877404528 635035311 /nfs/dbraw/zinc/03/53/11/635035311.db2.gz DHSARYHHMDDZIO-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN CCCn1cc(CN(C)c2ccc(OC(C)C)cc2)nn1 ZINC000877479307 635052010 /nfs/dbraw/zinc/05/20/10/635052010.db2.gz UZVGGLYXXSATEO-UHFFFAOYSA-N 0 0 288.395 3.112 20 10 CGCDRN [O-]c1c(C[N@H+](Cc2ccccn2)C2CC2)ccc(F)c1F ZINC000877531875 635074883 /nfs/dbraw/zinc/07/48/83/635074883.db2.gz UQBHQUGKJGNWDB-UHFFFAOYSA-N 0 0 290.313 3.230 20 10 CGCDRN CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877565656 635094001 /nfs/dbraw/zinc/09/40/01/635094001.db2.gz MGGOFKUFWZGMBH-FZMZJTMJSA-N 0 0 299.361 3.211 20 10 CGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H](C)O1 ZINC000840963985 635095033 /nfs/dbraw/zinc/09/50/33/635095033.db2.gz PXVPWXAYTPBWFY-KXUCPTDWSA-N 0 0 287.762 3.088 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000840973362 635097964 /nfs/dbraw/zinc/09/79/64/635097964.db2.gz LCFXLDCHQYTMKL-UHFFFAOYSA-N 0 0 295.795 3.064 20 10 CGCDRN COc1cc(C)c(CNc2ccc(N)cc2)cc1OC ZINC000841040065 635112250 /nfs/dbraw/zinc/11/22/50/635112250.db2.gz IBVGPBKRQUWUFQ-UHFFFAOYSA-N 0 0 272.348 3.207 20 10 CGCDRN Nc1ccc(NC[C@H]2CCOc3ccccc32)cc1 ZINC000841040300 635112469 /nfs/dbraw/zinc/11/24/69/635112469.db2.gz NRGSRSFYYNBNNU-GFCCVEGCSA-N 0 0 254.333 3.247 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000877646777 635129777 /nfs/dbraw/zinc/12/97/77/635129777.db2.gz NUWXPFCEMZTGGS-UHFFFAOYSA-N 0 0 295.354 3.406 20 10 CGCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)CC12CCC2 ZINC000841296773 635148742 /nfs/dbraw/zinc/14/87/42/635148742.db2.gz YTMQHUMFFRFTJG-GFCCVEGCSA-N 0 0 273.380 3.313 20 10 CGCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000841298654 635150060 /nfs/dbraw/zinc/15/00/60/635150060.db2.gz CXUQUORTBPMHKV-CHWSQXEVSA-N 0 0 291.395 3.490 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877704003 635155337 /nfs/dbraw/zinc/15/53/37/635155337.db2.gz VQGVFBKRKNYJRA-HZGVNTEJSA-N 0 0 283.652 3.225 20 10 CGCDRN Cc1ccc(CN2Cc3ccccc3NC(=O)[C@H]2C)c(O)c1 ZINC000877706634 635157514 /nfs/dbraw/zinc/15/75/14/635157514.db2.gz PFNQRWIEKQZDPW-CYBMUJFWSA-N 0 0 296.370 3.043 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877806897 635210283 /nfs/dbraw/zinc/21/02/83/635210283.db2.gz SCFROMBWOSMSSZ-VHRBIJSZSA-N 0 0 281.783 3.093 20 10 CGCDRN C[C@@H]([NH2+]CCc1cccnc1)c1ccc(Cl)cc1[O-] ZINC000841744364 635221516 /nfs/dbraw/zinc/22/15/16/635221516.db2.gz HDPKOESLNAKKMH-LLVKDONJSA-N 0 0 276.767 3.334 20 10 CGCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743936 635221706 /nfs/dbraw/zinc/22/17/06/635221706.db2.gz DLWKSTNHGBJIAX-GHMZBOCLSA-N 0 0 298.814 3.001 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1[O-] ZINC000841743843 635223018 /nfs/dbraw/zinc/22/30/18/635223018.db2.gz CIEUGSLXFWZFAH-GLQYFDAESA-N 0 0 294.826 3.323 20 10 CGCDRN C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841748337 635224419 /nfs/dbraw/zinc/22/44/19/635224419.db2.gz KSXRHXDYPPIVFJ-SNVBAGLBSA-N 0 0 298.814 3.001 20 10 CGCDRN CS[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841751149 635225288 /nfs/dbraw/zinc/22/52/88/635225288.db2.gz LNVLEGMTOYEBMS-RKDXNWHRSA-N 0 0 259.802 3.448 20 10 CGCDRN CCc1nc(CN[C@@H](C)c2ccc(Cl)cc2O)co1 ZINC000841759305 635233511 /nfs/dbraw/zinc/23/35/11/635233511.db2.gz YJUPMSHDWGIIDO-VIFPVBQESA-N 0 0 280.755 3.447 20 10 CGCDRN COc1ccc(C[NH2+][C@@H]2CCCC[C@]2(C)C(=O)[O-])cc1C ZINC000841802824 635236765 /nfs/dbraw/zinc/23/67/65/635236765.db2.gz ASQOPUIETBMLLY-WBVHZDCISA-N 0 0 291.391 3.127 20 10 CGCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(C)C ZINC000841888989 635247293 /nfs/dbraw/zinc/24/72/93/635247293.db2.gz WCWANSQEEABTHO-LBPRGKRZSA-N 0 0 289.778 3.335 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(C)C ZINC000841888988 635247754 /nfs/dbraw/zinc/24/77/54/635247754.db2.gz WCWANSQEEABTHO-GFCCVEGCSA-N 0 0 289.778 3.335 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)CC1CCCCC1 ZINC000841893901 635248838 /nfs/dbraw/zinc/24/88/38/635248838.db2.gz QHKZRIRZMWLQDO-CQSZACIVSA-N 0 0 297.826 3.467 20 10 CGCDRN COc1ccc(N(C)CCCOC(F)(F)F)cc1OC ZINC000877996446 635313221 /nfs/dbraw/zinc/31/32/21/635313221.db2.gz SKOXNAHHCVVSJK-UHFFFAOYSA-N 0 0 293.285 3.067 20 10 CGCDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)nnn3C)c(O)c1C ZINC000842903276 635510638 /nfs/dbraw/zinc/51/06/38/635510638.db2.gz ZKZWOPKOLJOLAM-LBPRGKRZSA-N 0 0 296.374 3.464 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000842926736 635513441 /nfs/dbraw/zinc/51/34/41/635513441.db2.gz BFSGBHUFTFUJNC-OPRDCNLKSA-N 0 0 289.297 3.239 20 10 CGCDRN CC(C)CCO[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159449 635588812 /nfs/dbraw/zinc/58/88/12/635588812.db2.gz PQIYXJWEOSFCHT-LBPRGKRZSA-N 0 0 289.379 3.366 20 10 CGCDRN CC[C@H](Cc1nc(Cc2ccc(N)cc2)no1)C(C)C ZINC000843160039 635589375 /nfs/dbraw/zinc/58/93/75/635589375.db2.gz UTFMWQHCPQDCSO-CYBMUJFWSA-N 0 0 273.380 3.467 20 10 CGCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843434931 635676650 /nfs/dbraw/zinc/67/66/50/635676650.db2.gz OJGLSAODHRPJQL-RDDDGLTNSA-N 0 0 275.776 3.168 20 10 CGCDRN Cc1cccc(C2(NC(=O)Cc3ccc(N)cc3)CCC2)c1 ZINC000843508132 635682286 /nfs/dbraw/zinc/68/22/86/635682286.db2.gz PRIXVSMRHQBFGD-UHFFFAOYSA-N 0 0 294.398 3.315 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H](C2CCC2)C2CCCC2)cc1 ZINC000843506448 635682404 /nfs/dbraw/zinc/68/24/04/635682404.db2.gz CLVSQDSNKLUWCB-SFHVURJKSA-N 0 0 286.419 3.286 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H](C2CCC2)C2CCCC2)cc1 ZINC000843506445 635682579 /nfs/dbraw/zinc/68/25/79/635682579.db2.gz CLVSQDSNKLUWCB-GOSISDBHSA-N 0 0 286.419 3.286 20 10 CGCDRN CCOc1ccc(N(Cc2ncccn2)CC2CC2)cc1 ZINC000879117350 635707015 /nfs/dbraw/zinc/70/70/15/635707015.db2.gz QCMZSOVCUMRDCW-UHFFFAOYSA-N 0 0 283.375 3.292 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/C2CCCC2)cc1 ZINC000843758083 635776268 /nfs/dbraw/zinc/77/62/68/635776268.db2.gz KDNVFCIPFVKUIT-JLHYYAGUSA-N 0 0 286.419 3.457 20 10 CGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)C2=CC(=O)CS2)cc1 ZINC000844145632 635827579 /nfs/dbraw/zinc/82/75/79/635827579.db2.gz BIJNEFXNVPSOQW-QWHCGFSZSA-N 0 0 273.357 3.048 20 10 CGCDRN CCc1cccc(/C=C2/SC(=S)N(CC)C2=O)c1 ZINC000844275656 635853706 /nfs/dbraw/zinc/85/37/06/635853706.db2.gz ZABKPUATYDKSGG-FMIVXFBMSA-N 0 0 277.414 3.470 20 10 CGCDRN C[C@@H](NC(=O)Nc1ccc2c(n1)CCC2)c1ccccc1O ZINC000879819178 635868331 /nfs/dbraw/zinc/86/83/31/635868331.db2.gz OVANSTZGKYDIGS-LLVKDONJSA-N 0 0 297.358 3.159 20 10 CGCDRN COc1ccc(N(C)CC(F)(F)C(F)F)cc1 ZINC000844352926 635877253 /nfs/dbraw/zinc/87/72/53/635877253.db2.gz DHNCYRSSBUTAIF-UHFFFAOYSA-N 0 0 251.223 3.032 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3C[C@H]3C3CCC3)n2)cc1 ZINC000844906860 635980926 /nfs/dbraw/zinc/98/09/26/635980926.db2.gz UIQGKUOMNWOZRQ-UONOGXRCSA-N 0 0 269.348 3.146 20 10 CGCDRN COc1ccc(N(C)CCCc2ccc(C)nc2)cc1 ZINC000845997650 636127452 /nfs/dbraw/zinc/12/74/52/636127452.db2.gz AYDGHZMMLVSMST-UHFFFAOYSA-N 0 0 270.376 3.468 20 10 CGCDRN C[C@@H](COCC1CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000846073360 636141308 /nfs/dbraw/zinc/14/13/08/636141308.db2.gz LTTSDSZRJDGFJQ-VIFPVBQESA-N 0 0 287.762 3.089 20 10 CGCDRN CCCn1cc(N[C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846159565 636151401 /nfs/dbraw/zinc/15/14/01/636151401.db2.gz HQFUTDILRDDMIS-NSHDSACASA-N 0 0 275.352 3.180 20 10 CGCDRN COc1cccc([C@H](C)Nc2cccc(CCO)c2)c1O ZINC000846170705 636152818 /nfs/dbraw/zinc/15/28/18/636152818.db2.gz YVQGPLOFDRLKTJ-LBPRGKRZSA-N 0 0 287.359 3.109 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000846213383 636160096 /nfs/dbraw/zinc/16/00/96/636160096.db2.gz RUAVLKJXWWNNEU-LBPRGKRZSA-N 0 0 272.348 3.415 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846476135 636188648 /nfs/dbraw/zinc/18/86/48/636188648.db2.gz JKRRRQUREAPARG-ZWNOBZJWSA-N 0 0 281.783 3.344 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC=CCC1 ZINC000846479296 636190025 /nfs/dbraw/zinc/19/00/25/636190025.db2.gz JZPWBDHRYPNIBB-SNVBAGLBSA-N 0 0 265.740 3.018 20 10 CGCDRN C/C(=C/c1ccco1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846876702 636268271 /nfs/dbraw/zinc/26/82/71/636268271.db2.gz XNDHZANSYKAHFP-KAMYIIQDSA-N 0 0 298.386 3.374 20 10 CGCDRN CCN(C)c1ccc(CN2CCC(=O)CC23CCC3)cc1 ZINC000846997350 636304868 /nfs/dbraw/zinc/30/48/68/636304868.db2.gz MAYANCMWBNVLBM-UHFFFAOYSA-N 0 0 286.419 3.230 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCOC1CCCC1 ZINC000882944326 636471648 /nfs/dbraw/zinc/47/16/48/636471648.db2.gz CFGHWUYCCASBQI-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883029167 636513171 /nfs/dbraw/zinc/51/31/71/636513171.db2.gz IMNPYGIYIHCZOB-MEDUHNTESA-N 0 0 299.361 3.211 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCc1cccs1 ZINC000883081144 636532646 /nfs/dbraw/zinc/53/26/46/636532646.db2.gz UZZRGIPMPRIMNM-UHFFFAOYSA-N 0 0 283.343 3.454 20 10 CGCDRN C[C@@H]1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000131586153 636691730 /nfs/dbraw/zinc/69/17/30/636691730.db2.gz KUGCGGIAECDFLR-HIFRSBDPSA-N 0 0 274.408 3.195 20 10 CGCDRN CCN(CC)c1ccc(CNc2nnc(C3CC3)n2C)cc1 ZINC000849346851 636816451 /nfs/dbraw/zinc/81/64/51/636816451.db2.gz DSUQSPRBABMIMW-UHFFFAOYSA-N 0 0 299.422 3.151 20 10 CGCDRN C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000132652366 636827836 /nfs/dbraw/zinc/82/78/36/636827836.db2.gz FWHAEXFDYOCHHK-VIFPVBQESA-N 0 0 270.170 3.139 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC(C)(C)O1 ZINC000133102335 636872870 /nfs/dbraw/zinc/87/28/70/636872870.db2.gz VHVHKZBAHPSMGR-SNVBAGLBSA-N 0 0 269.772 3.045 20 10 CGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCCc1ccc(N)cc1 ZINC000884028655 636917736 /nfs/dbraw/zinc/91/77/36/636917736.db2.gz NMGQNLIWCUNOSY-RHSMWYFYSA-N 0 0 274.408 3.144 20 10 CGCDRN CC(C)(C)N1CC[C@@H](Sc2ncc(Cl)s2)C1=O ZINC000850002310 636925996 /nfs/dbraw/zinc/92/59/96/636925996.db2.gz ZUBXIKUOAAJVOM-SSDOTTSWSA-N 0 0 290.841 3.288 20 10 CGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000850360017 637028374 /nfs/dbraw/zinc/02/83/74/637028374.db2.gz BAIPTQHPXWIAAC-XYPYZODXSA-N 0 0 290.190 3.356 20 10 CGCDRN COc1cccc(CNCC(F)(F)C(C)(C)C)c1O ZINC000850409591 637053104 /nfs/dbraw/zinc/05/31/04/637053104.db2.gz CBXUNXYBAPLTKF-UHFFFAOYSA-N 0 0 273.323 3.172 20 10 CGCDRN CCC(C)(CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000134978809 637060476 /nfs/dbraw/zinc/06/04/76/637060476.db2.gz SJERJMUYFZBYQV-NSHDSACASA-N 0 0 279.380 3.404 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000850482262 637085986 /nfs/dbraw/zinc/08/59/86/637085986.db2.gz RBPAQMFVEUBUHF-DZGCQCFKSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850524154 637103421 /nfs/dbraw/zinc/10/34/21/637103421.db2.gz FJYZNCJBWZUIIY-ONGXEEELSA-N 0 0 283.318 3.033 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850532323 637109319 /nfs/dbraw/zinc/10/93/19/637109319.db2.gz SLMCOAIJSRXSLG-JUFZMCDQSA-N 0 0 290.363 3.387 20 10 CGCDRN C[C@H]([NH2+]CCCc1ccco1)c1ccc(F)cc1[O-] ZINC000850569620 637127988 /nfs/dbraw/zinc/12/79/88/637127988.db2.gz KSPBUZPOUQNSKI-NSHDSACASA-N 0 0 263.312 3.408 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850578001 637130515 /nfs/dbraw/zinc/13/05/15/637130515.db2.gz FJONQTUAAJSCLZ-LAEOZQHASA-N 0 0 290.190 3.263 20 10 CGCDRN C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000850583225 637133177 /nfs/dbraw/zinc/13/31/77/637133177.db2.gz JQCQDAARIGMSLZ-JKDFXYPNSA-N 0 0 289.350 3.304 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCS1 ZINC000135835393 637190327 /nfs/dbraw/zinc/19/03/27/637190327.db2.gz ADCPILFIDFVIIP-CYBMUJFWSA-N 0 0 297.395 3.061 20 10 CGCDRN Cc1[nH]nc(NCc2c(O)ccc(Cl)c2F)c1C ZINC000886197906 637456072 /nfs/dbraw/zinc/45/60/72/637456072.db2.gz PZOFLUBPDCXMGT-UHFFFAOYSA-N 0 0 269.707 3.137 20 10 CGCDRN Nc1ccc(CC(=O)N2CCCC[C@@H]2CC2CCC2)cc1 ZINC000851647906 637466671 /nfs/dbraw/zinc/46/66/71/637466671.db2.gz TXRIMAZPNWJKIL-QGZVFWFLSA-N 0 0 286.419 3.383 20 10 CGCDRN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)co1 ZINC000851732521 637482624 /nfs/dbraw/zinc/48/26/24/637482624.db2.gz SMZCTZIQAPQRPZ-UHFFFAOYSA-N 0 0 285.391 3.214 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C3CC3)no2)cc1F ZINC000851807350 637511169 /nfs/dbraw/zinc/51/11/69/637511169.db2.gz CRNKXIFIINCXSI-UHFFFAOYSA-N 0 0 276.311 3.336 20 10 CGCDRN CCN(Cc1cccc(F)n1)c1ccc(OC)c(OC)c1 ZINC000851827746 637515515 /nfs/dbraw/zinc/51/55/15/637515515.db2.gz JGQWTCMIXXBIPR-UHFFFAOYSA-N 0 0 290.338 3.264 20 10 CGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1c([O-])cccc1F ZINC000886531220 637557009 /nfs/dbraw/zinc/55/70/09/637557009.db2.gz YCWXPYROKYYEIF-ZUZCIYMTSA-N 0 0 295.379 3.151 20 10 CGCDRN Cc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000851951183 637558433 /nfs/dbraw/zinc/55/84/33/637558433.db2.gz VSEHMYYNULSVHT-NSHDSACASA-N 0 0 273.380 3.208 20 10 CGCDRN CCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886534799 637560627 /nfs/dbraw/zinc/56/06/27/637560627.db2.gz OSDJNJADMVULOW-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCO[C@H]2CC2(F)F)cc1 ZINC000851985681 637565180 /nfs/dbraw/zinc/56/51/80/637565180.db2.gz PNLXYTTXFOFAJB-AWEZNQCLSA-N 0 0 285.334 3.334 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886617481 637609096 /nfs/dbraw/zinc/60/90/96/637609096.db2.gz PIPUWRABLOCPLD-WDMOLILDSA-N 0 0 269.360 3.243 20 10 CGCDRN COC(CCN(C)c1ccc(-c2nccs2)cc1)OC ZINC000852166209 637609160 /nfs/dbraw/zinc/60/91/60/637609160.db2.gz NDRQLWZFEGFMMM-UHFFFAOYSA-N 0 0 292.404 3.255 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)OC ZINC000886617478 637609316 /nfs/dbraw/zinc/60/93/16/637609316.db2.gz PIPUWRABLOCPLD-COPLHBTASA-N 0 0 269.360 3.243 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1c([O-])cccc1F ZINC000886634382 637621824 /nfs/dbraw/zinc/62/18/24/637621824.db2.gz CORVPURZGKRLCH-NWDGAFQWSA-N 0 0 274.339 3.381 20 10 CGCDRN C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1c([O-])cccc1F ZINC000886640129 637624618 /nfs/dbraw/zinc/62/46/18/637624618.db2.gz SHQAVIRSKNMJRJ-BWBHSNQOSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1c([O-])cccc1F ZINC000886651544 637631493 /nfs/dbraw/zinc/63/14/93/637631493.db2.gz JEZCPNFIMPTXDE-PEYYIBSZSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@H](NCc1cc(C2CC2)no1)c1c(O)cccc1F ZINC000886685879 637649936 /nfs/dbraw/zinc/64/99/36/637649936.db2.gz FPCWXXUXNILRQN-VIFPVBQESA-N 0 0 276.311 3.248 20 10 CGCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1N ZINC000853250432 637793870 /nfs/dbraw/zinc/79/38/70/637793870.db2.gz OINFCCKRWBLBTI-UHFFFAOYSA-N 0 0 297.402 3.026 20 10 CGCDRN CO[C@@H](COc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000853675078 637889374 /nfs/dbraw/zinc/88/93/74/637889374.db2.gz MTTDULCPNCHGLU-KRWDZBQOSA-N 0 0 275.392 3.481 20 10 CGCDRN Clc1cnc(Sc2ncnc3c2CCC3)s1 ZINC000853964401 637965526 /nfs/dbraw/zinc/96/55/26/637965526.db2.gz LWQOUVJEJNWGLA-UHFFFAOYSA-N 0 0 269.782 3.226 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855369200 638176442 /nfs/dbraw/zinc/17/64/42/638176442.db2.gz YPEXBSWHQBQOPZ-DJYGCBNOSA-N 0 0 277.364 3.052 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](C2CCCCC2)C1 ZINC000855635938 638226300 /nfs/dbraw/zinc/22/63/00/638226300.db2.gz FWRMTHJBOROULG-GFCCVEGCSA-N 0 0 279.405 3.496 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(CCC1CC1)CC1CC1 ZINC000856284613 638337279 /nfs/dbraw/zinc/33/72/79/638337279.db2.gz VZTVVVMARNVHPG-UHFFFAOYSA-N 0 0 265.378 3.106 20 10 CGCDRN Cc1nc2c(o1)CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000924900132 638423210 /nfs/dbraw/zinc/42/32/10/638423210.db2.gz JWJLNTFKTCRQAY-CQSZACIVSA-N 0 0 284.359 3.085 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC(CC2CC2)C1 ZINC000857066525 638448821 /nfs/dbraw/zinc/44/88/21/638448821.db2.gz MVTHGDYQNKPALK-UHFFFAOYSA-N 0 0 269.747 3.417 20 10 CGCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccns1 ZINC000858317759 638680644 /nfs/dbraw/zinc/68/06/44/638680644.db2.gz BFRWOSMCPGVVIW-SECBINFHSA-N 0 0 297.374 3.338 20 10 CGCDRN CCN(CC)c1ccc(CNc2nccnc2F)cc1F ZINC000858403887 638704845 /nfs/dbraw/zinc/70/48/45/638704845.db2.gz JPZDVYRLHJQTJS-UHFFFAOYSA-N 0 0 292.333 3.213 20 10 CGCDRN Cc1noc(C(C)C)c1NC(=O)Nc1ccc(N)cc1 ZINC000926140509 638720194 /nfs/dbraw/zinc/72/01/94/638720194.db2.gz AXWAYWGJGRTVAO-UHFFFAOYSA-N 0 0 274.324 3.333 20 10 CGCDRN CCC(F)(F)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000858506343 638749080 /nfs/dbraw/zinc/74/90/80/638749080.db2.gz APXHOWLICPBURD-CYBMUJFWSA-N 0 0 298.377 3.219 20 10 CGCDRN Cc1cc(C)c(CC(=O)NCc2c(O)cccc2F)s1 ZINC000928709854 638889819 /nfs/dbraw/zinc/88/98/19/638889819.db2.gz HDJPGFJUBXNHDF-UHFFFAOYSA-N 0 0 293.363 3.069 20 10 CGCDRN CCN(Cc1cnc(C)o1)c1ccc(OC)c(OC)c1 ZINC000929897340 638959947 /nfs/dbraw/zinc/95/99/47/638959947.db2.gz JIWNVHHSDIYVKN-UHFFFAOYSA-N 0 0 276.336 3.027 20 10 CGCDRN Cc1cc(CNC(=O)N2CCC2)c(C)n1-c1ccccc1 ZINC000858906325 639041721 /nfs/dbraw/zinc/04/17/21/639041721.db2.gz LOZCDEDSQWYTOA-UHFFFAOYSA-N 0 0 283.375 3.009 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC23CC3)c1 ZINC000859011742 639059328 /nfs/dbraw/zinc/05/93/28/639059328.db2.gz DJQGFVZEDLWTFG-AWEZNQCLSA-N 0 0 288.391 3.080 20 10 CGCDRN CC1(C(=O)NCCCSc2nccs2)CC=CC1 ZINC000932682198 639373192 /nfs/dbraw/zinc/37/31/92/639373192.db2.gz AKWDYLDYUSPUCE-UHFFFAOYSA-N 0 0 282.434 3.098 20 10 CGCDRN C[C@H]1CCC[C@]1(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862025831 639634676 /nfs/dbraw/zinc/63/46/76/639634676.db2.gz BGLUCABXXROHEH-SGTLLEGYSA-N 0 0 298.386 3.383 20 10 CGCDRN O=C(C=C1CCCC1)NCc1ccc2cccnc2c1O ZINC000862027841 639636206 /nfs/dbraw/zinc/63/62/06/639636206.db2.gz HNXFPAOBTOKWEH-UHFFFAOYSA-N 0 0 282.343 3.057 20 10 CGCDRN C[C@@H]1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862028070 639636633 /nfs/dbraw/zinc/63/66/33/639636633.db2.gz OPKXPYVRLNVLBZ-OCCSQVGLSA-N 0 0 298.386 3.383 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1 ZINC000045089919 639982946 /nfs/dbraw/zinc/98/29/46/639982946.db2.gz GHJBNXKEQYHPPR-OAHLLOKOSA-N 0 0 273.380 3.455 20 10 CGCDRN CCCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000159096308 640030169 /nfs/dbraw/zinc/03/01/69/640030169.db2.gz PKMKKMQYNBHNQJ-UHFFFAOYSA-N 0 0 292.206 3.293 20 10 CGCDRN Cc1ccc(/C=C2/SC(=S)N(C)C2=O)c(C)c1 ZINC000048392340 640051828 /nfs/dbraw/zinc/05/18/28/640051828.db2.gz XGLOSALJOCEICC-YRNVUSSQSA-N 0 0 263.387 3.134 20 10 CGCDRN CN(CC1CCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000049015222 640079442 /nfs/dbraw/zinc/07/94/42/640079442.db2.gz FXOGRKIYZOJEGX-UHFFFAOYSA-N 0 0 261.369 3.313 20 10 CGCDRN Cc1ccc(F)cc1C(=O)N(C)Cc1ccccc1O ZINC000077258338 640228272 /nfs/dbraw/zinc/22/82/72/640228272.db2.gz GGZHUIDMVDIAQC-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN COC[C@@H](C)CN(C)c1ccc(OC(C)C)cc1 ZINC000192037046 640346882 /nfs/dbraw/zinc/34/68/82/640346882.db2.gz KWAFXZSNPWUTCO-ZDUSSCGKSA-N 0 0 251.370 3.193 20 10 CGCDRN O=C(C1CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000248005494 640738671 /nfs/dbraw/zinc/73/86/71/640738671.db2.gz SQAIGNTYQFSYGJ-UHFFFAOYSA-N 0 0 285.343 3.314 20 10 CGCDRN CCn1c(-c2ccc(O)c(O)c2)nc2ccc(F)c(F)c21 ZINC001250464796 805632500 /nfs/dbraw/zinc/63/25/00/805632500.db2.gz MGDHYOMLVAZFDL-UHFFFAOYSA-N 0 0 290.269 3.413 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(N(C)C)cc2)nc1 ZINC001156924025 805752741 /nfs/dbraw/zinc/75/27/41/805752741.db2.gz LMNPKYJVDAMHAW-UHFFFAOYSA-N 0 0 285.391 3.183 20 10 CGCDRN Cc1noc(C)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157037752 805768198 /nfs/dbraw/zinc/76/81/98/805768198.db2.gz XTVYBNNEVZFKPK-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN CC[C@@H](NC(=O)NCc1cc(C)ccc1O)[C@H]1CC1(C)C ZINC001252027680 805976769 /nfs/dbraw/zinc/97/67/69/805976769.db2.gz HZTATMYMMGTLRX-ZIAGYGMSSA-N 0 0 290.407 3.325 20 10 CGCDRN Oc1ccc(CNc2ccnc(-c3ccccc3)n2)cc1O ZINC001158994133 806027918 /nfs/dbraw/zinc/02/79/18/806027918.db2.gz DOYHAKBTXXDOEF-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN COC(=O)c1cc(Nc2ccc(N)cc2)c(C)cc1C ZINC001159485296 806112493 /nfs/dbraw/zinc/11/24/93/806112493.db2.gz KPZSCDGBPXQMKM-UHFFFAOYSA-N 0 0 270.332 3.416 20 10 CGCDRN CCc1ccc(-c2nnc(-c3cccc(O)c3O)o2)cc1 ZINC001252953416 806139985 /nfs/dbraw/zinc/13/99/85/806139985.db2.gz HJZJIRBXZFWYLK-UHFFFAOYSA-N 0 0 282.299 3.377 20 10 CGCDRN COC(=O)c1cc(Cl)cc(Nc2ccc(N)cc2)c1O ZINC001159703491 806155178 /nfs/dbraw/zinc/15/51/78/806155178.db2.gz LCJDOYTWTFVBLO-UHFFFAOYSA-N 0 0 292.722 3.158 20 10 CGCDRN COc1cc(-c2nnc(-c3cccc(C)c3)o2)cc(O)c1O ZINC001253718299 806284191 /nfs/dbraw/zinc/28/41/91/806284191.db2.gz SNKRHZSDMZYSBB-UHFFFAOYSA-N 0 0 298.298 3.132 20 10 CGCDRN CC(C)(C)[C@@H](O)CNc1ccccc1C(=O)c1ccncc1 ZINC001253739504 806292126 /nfs/dbraw/zinc/29/21/26/806292126.db2.gz FIEYEFOHIBRYHO-INIZCTEOSA-N 0 0 298.386 3.132 20 10 CGCDRN Cc1cccc(CNc2nccnc2OCC(C)C)c1O ZINC001160771215 806301743 /nfs/dbraw/zinc/30/17/43/806301743.db2.gz OIHMYACBZFCERE-UHFFFAOYSA-N 0 0 287.363 3.138 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(C)c(NC3CC3)n2)c(O)c1 ZINC001160807784 806303910 /nfs/dbraw/zinc/30/39/10/806303910.db2.gz DGVPLIKVCXDWOK-UHFFFAOYSA-N 0 0 298.390 3.294 20 10 CGCDRN CCc1nc(C)cc(NCc2c(C)cc(C)cc2O)n1 ZINC001160811508 806306596 /nfs/dbraw/zinc/30/65/96/806306596.db2.gz PJKGUENRSDXVNS-UHFFFAOYSA-N 0 0 271.364 3.282 20 10 CGCDRN CCCc1nnc(/C=C/c2ccc(N(C)C)cc2)o1 ZINC001253969067 806324585 /nfs/dbraw/zinc/32/45/85/806324585.db2.gz YINLDYNKKHGIKM-DHZHZOJOSA-N 0 0 257.337 3.259 20 10 CGCDRN Nc1ccc(CNc2ncc([N+](=O)[O-])c3ccccc32)cc1 ZINC001162785378 806664668 /nfs/dbraw/zinc/66/46/68/806664668.db2.gz BOBQMQGPBUYSCC-UHFFFAOYSA-N 0 0 294.314 3.337 20 10 CGCDRN Nc1ccc(CNc2nc(Cl)cc3[nH]ccc32)cc1 ZINC001162784523 806664962 /nfs/dbraw/zinc/66/49/62/806664962.db2.gz QAYMBWXQTGWKJC-UHFFFAOYSA-N 0 0 272.739 3.411 20 10 CGCDRN CCOc1ccc(Cl)nc1NCc1ccc(N)cc1 ZINC001162785425 806665509 /nfs/dbraw/zinc/66/55/09/806665509.db2.gz DGHAHKLHSRFGNC-UHFFFAOYSA-N 0 0 277.755 3.328 20 10 CGCDRN Nc1ccc(CN[C@H](F)c2ccnc(Cl)c2)cc1 ZINC001162785931 806665853 /nfs/dbraw/zinc/66/58/53/806665853.db2.gz PZCUZGVHJCKGDI-ZDUSSCGKSA-N 0 0 265.719 3.075 20 10 CGCDRN Cc1cccc2ncc(NCc3ccc(N)cc3)nc12 ZINC001162785609 806666213 /nfs/dbraw/zinc/66/62/13/806666213.db2.gz KAXXYTACULLFIB-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2F)cc1 ZINC000037976541 798880993 /nfs/dbraw/zinc/88/09/93/798880993.db2.gz OTKPMFLVLVNKJT-UHFFFAOYSA-N 0 0 286.350 3.164 20 10 CGCDRN CN(C)c1ccc(/C=C/c2nnc(C3CCOCC3)o2)cc1 ZINC001255673113 806701642 /nfs/dbraw/zinc/70/16/42/806701642.db2.gz IHSHDUQMDQAJQL-VMPITWQZSA-N 0 0 299.374 3.200 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000087778605 798947634 /nfs/dbraw/zinc/94/76/34/798947634.db2.gz FPYGXRLBWWGRPP-WBMJQRKESA-N 0 0 291.366 3.498 20 10 CGCDRN COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091862311 798955480 /nfs/dbraw/zinc/95/54/80/798955480.db2.gz OFASSZNOXWRUIA-NSHDSACASA-N 0 0 290.190 3.310 20 10 CGCDRN CN(C(=O)[C@H]1CCCc2sccc21)c1ccc(N)cc1 ZINC000168231116 799086195 /nfs/dbraw/zinc/08/61/95/799086195.db2.gz QILDWBNTEXVQOZ-AWEZNQCLSA-N 0 0 286.400 3.413 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(-n3ccnc3)c2)c1 ZINC000378894306 799344772 /nfs/dbraw/zinc/34/47/72/799344772.db2.gz MVUUSHBMDGTRKB-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000379818998 799352640 /nfs/dbraw/zinc/35/26/40/799352640.db2.gz SQFFXLMLNSADMF-KWQFWETISA-N 0 0 270.170 3.043 20 10 CGCDRN CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000381430240 799379199 /nfs/dbraw/zinc/37/91/99/799379199.db2.gz BFTQXQZEUSEWCD-MNOVXSKESA-N 0 0 257.786 3.029 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(F)cc1F ZINC000588403546 799688740 /nfs/dbraw/zinc/68/87/40/799688740.db2.gz POXWVPVOPVMMNW-KXFIGUGUSA-N 0 0 291.253 3.028 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccn1 ZINC000692696330 799796817 /nfs/dbraw/zinc/79/68/17/799796817.db2.gz OXHHRVRVCDOVMM-RYUDHWBXSA-N 0 0 274.339 3.381 20 10 CGCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CCCC1 ZINC000692985048 799805724 /nfs/dbraw/zinc/80/57/24/799805724.db2.gz ZMJFTFZDRMYXJS-BZNIZROVSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+]CCSCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000698951619 799857901 /nfs/dbraw/zinc/85/79/01/799857901.db2.gz DKFOINMJSXLKRB-QMMMGPOBSA-N 0 0 297.317 3.477 20 10 CGCDRN CCCc1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000702072120 799904409 /nfs/dbraw/zinc/90/44/09/799904409.db2.gz ZZTLUSUIILNCEE-UHFFFAOYSA-N 0 0 261.394 3.314 20 10 CGCDRN [O-]c1c(C[NH2+]C2(C3CCC3)CC2)ccc(F)c1F ZINC000703213939 799920113 /nfs/dbraw/zinc/92/01/13/799920113.db2.gz KWESCVDACALYIY-UHFFFAOYSA-N 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ZINC001306997226 932906627 /nfs/dbraw/zinc/90/66/27/932906627.db2.gz CPHFXAKOFYTYGP-UHFFFAOYSA-N 0 0 298.434 3.440 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001462514183 937646654 /nfs/dbraw/zinc/64/66/54/937646654.db2.gz QHIXFAWDQQSHOG-PHIMTYICSA-N 0 0 265.303 3.068 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1[C@@H]1CCCO1 ZINC001308800634 933179763 /nfs/dbraw/zinc/17/97/63/933179763.db2.gz FDYVAQKKISFCOJ-GJZGRUSLSA-N 0 0 297.345 3.060 20 10 CGCDRN CCC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001308897418 933198717 /nfs/dbraw/zinc/19/87/17/933198717.db2.gz IZRTXVRZJPXSNB-UHFFFAOYSA-N 0 0 296.367 3.225 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NC/C=C\Cl)cc1 ZINC001311630933 933306797 /nfs/dbraw/zinc/30/67/97/933306797.db2.gz WDYDGNFGWUCMBI-YHYXMXQVSA-N 0 0 295.814 3.085 20 10 CGCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001312300315 933351284 /nfs/dbraw/zinc/35/12/84/933351284.db2.gz WJNVXLSERSZSPP-GXFFZTMASA-N 0 0 296.798 3.424 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC2(C)CCCCC2)c1 ZINC001312803943 933395708 /nfs/dbraw/zinc/39/57/08/933395708.db2.gz NASZEAUPTFOYBA-UHFFFAOYSA-N 0 0 290.407 3.470 20 10 CGCDRN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc21 ZINC001464294058 937688611 /nfs/dbraw/zinc/68/86/11/937688611.db2.gz VTTBXFNWHARYES-LBPRGKRZSA-N 0 0 297.354 3.181 20 10 CGCDRN Cc1c[nH]c(-c2ccccc2NC(=O)C2=CC(=O)CS2)n1 ZINC001465949386 937705161 /nfs/dbraw/zinc/70/51/61/937705161.db2.gz JXACDRIUQLHJJI-UHFFFAOYSA-N 0 0 299.355 3.405 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc(F)c(F)c2C)c(O)c1O ZINC001468943154 937733526 /nfs/dbraw/zinc/73/35/26/937733526.db2.gz KMMFYQYKYMKXDG-UHFFFAOYSA-N 0 0 293.269 3.245 20 10 CGCDRN Cc1ccoc1C(=O)Nc1c2nonc2ccc1Cl ZINC001322264355 934267401 /nfs/dbraw/zinc/26/74/01/934267401.db2.gz SISBSDZJKIDSEX-UHFFFAOYSA-N 0 0 277.667 3.030 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1O ZINC001471194239 937762464 /nfs/dbraw/zinc/76/24/64/937762464.db2.gz QULDORZMMVQQGV-GFCCVEGCSA-N 0 0 292.338 3.431 20 10 CGCDRN Cc1cccc(F)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001471194444 937762596 /nfs/dbraw/zinc/76/25/96/937762596.db2.gz KQDQZIZETWWIHM-NSHDSACASA-N 0 0 273.307 3.331 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)c(F)c1 ZINC001471195723 937762619 /nfs/dbraw/zinc/76/26/19/937762619.db2.gz MUZSQYUONXIBDP-LLVKDONJSA-N 0 0 273.307 3.331 20 10 CGCDRN COC(=O)COc1ccc(N(C)C[C@H](C)CC(C)C)cc1 ZINC001473373128 937803782 /nfs/dbraw/zinc/80/37/82/937803782.db2.gz ORBNWQPVQYAPCF-CQSZACIVSA-N 0 0 293.407 3.357 20 10 CGCDRN Cc1cc(C)c([C@@H](C)[NH2+]CCC2CCOCC2)c(O)c1 ZINC001324963556 934875985 /nfs/dbraw/zinc/87/59/85/934875985.db2.gz AYGPYFMNQZPMHK-CQSZACIVSA-N 0 0 277.408 3.476 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@]12C[C@H]1CCCC2 ZINC001329635110 935236275 /nfs/dbraw/zinc/23/62/75/935236275.db2.gz DUTRWWKTBHGEIS-RBZYPMLTSA-N 0 0 265.378 3.152 20 10 CGCDRN CCCOc1ccc(CN[C@H](C)c2noc(C)n2)cc1C ZINC001333372311 935529977 /nfs/dbraw/zinc/52/99/77/935529977.db2.gz VIKXIQFOOVZKBR-GFCCVEGCSA-N 0 0 289.379 3.326 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCC(F)F ZINC001333782018 936065304 /nfs/dbraw/zinc/06/53/04/936065304.db2.gz SIHBAJRRGJVWRC-UHFFFAOYSA-N 0 0 267.678 3.320 20 10 CGCDRN C[C@@H]([NH2+]CCCC(F)F)c1cc(F)cc(F)c1[O-] ZINC001334039055 936080524 /nfs/dbraw/zinc/08/05/24/936080524.db2.gz HRKGDRIJIFMATP-SSDOTTSWSA-N 0 0 265.250 3.366 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@]12C[C@@H]1CCCC2 ZINC001335590426 936154545 /nfs/dbraw/zinc/15/45/45/936154545.db2.gz LWZLLSQCTNFAFS-RVSPLBMKSA-N 0 0 287.407 3.037 20 10 CGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc(N)cc1 ZINC001336975210 936231188 /nfs/dbraw/zinc/23/11/88/936231188.db2.gz JQIBBBSZNIHLBA-QGZVFWFLSA-N 0 0 295.386 3.064 20 10 CGCDRN CCc1ccc(CN(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC001337079223 936236585 /nfs/dbraw/zinc/23/65/85/936236585.db2.gz ZFUJKFLSIYLRFQ-UHFFFAOYSA-N 0 0 297.402 3.173 20 10 CGCDRN Cc1cccc(CCC[NH2+]Cc2ccc(Cl)cc2[O-])n1 ZINC001474513119 937864254 /nfs/dbraw/zinc/86/42/54/937864254.db2.gz HGFBFNGSWVGCMC-UHFFFAOYSA-N 0 0 290.794 3.471 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CCCCC1 ZINC001474645787 937872687 /nfs/dbraw/zinc/87/26/87/937872687.db2.gz MAXBXFXFNILYCR-AWEZNQCLSA-N 0 0 299.361 3.355 20 10 CGCDRN Cc1ccc(F)cc1NC(=O)NCc1c(O)cccc1F ZINC001475907441 937885811 /nfs/dbraw/zinc/88/58/11/937885811.db2.gz MICJLZUJMJJMRG-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN CC1(C)CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001478452317 937906067 /nfs/dbraw/zinc/90/60/67/937906067.db2.gz LVYUJTQKWZXUBT-CYBMUJFWSA-N 0 0 288.391 3.386 20 10 CGCDRN COc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1 ZINC001531429791 938081839 /nfs/dbraw/zinc/08/18/39/938081839.db2.gz NFGAAEVFTPBYCG-WDZFZDKYSA-N 0 0 282.343 3.075 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1ccccc1C ZINC001540000745 938127501 /nfs/dbraw/zinc/12/75/01/938127501.db2.gz UCVOFYBZSSNBGE-KAMYIIQDSA-N 0 0 266.344 3.456 20 10 CGCDRN CCCCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)CC ZINC001542901908 938137337 /nfs/dbraw/zinc/13/73/37/938137337.db2.gz NOOYYIWLIRMMKR-GFCCVEGCSA-N 0 0 279.380 3.068 20 10 CGCDRN Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(O)c2O)c1 ZINC001547455312 938151208 /nfs/dbraw/zinc/15/12/08/938151208.db2.gz CCVUWBPOAZJRDM-GFCCVEGCSA-N 0 0 285.343 3.206 20 10 CGCDRN CC(C)c1cccc(CC(=O)NCc2cccc(O)c2O)c1 ZINC001548791521 938151954 /nfs/dbraw/zinc/15/19/54/938151954.db2.gz JIHZEHMYYVUSHD-UHFFFAOYSA-N 0 0 299.370 3.080 20 10 CGCDRN Cc1cc(C(=O)NOC(C)C)c(C)n1-c1ccc(F)cc1 ZINC001556787801 938205770 /nfs/dbraw/zinc/20/57/70/938205770.db2.gz XNAZOUYPGRCRDK-UHFFFAOYSA-N 0 0 290.338 3.303 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC12CC2 ZINC001557127688 938208037 /nfs/dbraw/zinc/20/80/37/938208037.db2.gz KRVJDWPNLSCWOA-ZDUSSCGKSA-N 0 0 286.400 3.438 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccs1 ZINC001557385633 938209717 /nfs/dbraw/zinc/20/97/17/938209717.db2.gz GQAWFDIYUCKSIY-UHFFFAOYSA-N 0 0 267.737 3.037 20 10 CGCDRN C/C(=C\c1ccco1)C(=O)N[C@H](C)c1ccccc1O ZINC001557966552 938212857 /nfs/dbraw/zinc/21/28/57/938212857.db2.gz HIBVGECMLRWQPE-HCRIHEDKSA-N 0 0 271.316 3.266 20 10 CGCDRN c1csc(Sc2nc3ncccc3s2)n1 ZINC001559255498 938223610 /nfs/dbraw/zinc/22/36/10/938223610.db2.gz VHHURLQKFRBNLB-UHFFFAOYSA-N 0 0 251.361 3.299 20 10 CGCDRN O=[N+]([O-])c1ccc(Cl)cc1NCc1cc(O)ccc1O ZINC001559270219 938224204 /nfs/dbraw/zinc/22/42/04/938224204.db2.gz IKNNNCDEOQDOCT-UHFFFAOYSA-N 0 0 294.694 3.272 20 10 CGCDRN CCOc1ccc(N(Cc2ccnn2C)CC2CC2)cc1 ZINC001560069903 938243117 /nfs/dbraw/zinc/24/31/17/938243117.db2.gz HJNFEUWZOMFFGB-UHFFFAOYSA-N 0 0 285.391 3.235 20 10 CGCDRN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560778510 938275340 /nfs/dbraw/zinc/27/53/40/938275340.db2.gz DCJDIJWKMOTHBR-HOCLYGCPSA-N 0 0 299.361 3.354 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC001563851717 938305520 /nfs/dbraw/zinc/30/55/20/938305520.db2.gz ANGIQVBCMYSITJ-NWDGAFQWSA-N 0 0 294.370 3.157 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1cc(Cl)c(C)cc1O)C(=O)[O-] ZINC001595079567 960527855 /nfs/dbraw/zinc/52/78/55/960527855.db2.gz SEYATFALTVHMLH-UHFFFAOYSA-N 0 0 299.798 3.335 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC1CC=CC1 ZINC001565023623 960726096 /nfs/dbraw/zinc/72/60/96/960726096.db2.gz YZYSWHFTZQLXSZ-UHFFFAOYSA-N 0 0 299.418 3.147 20 10 CGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)cnc1Cl ZINC001566196478 960905801 /nfs/dbraw/zinc/90/58/01/960905801.db2.gz CAGTZMWSAXORGQ-UHFFFAOYSA-N 0 0 268.725 3.063 20 10 CGCDRN Cc1c(C(=O)Oc2ccc(N)cc2)cnn1CCC(C)C ZINC001579528330 962625479 /nfs/dbraw/zinc/62/54/79/962625479.db2.gz JDYZAUPYXGNYOW-UHFFFAOYSA-N 0 0 287.363 3.039 20 10 CGCDRN CC[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1F ZINC001583537911 962821817 /nfs/dbraw/zinc/82/18/17/962821817.db2.gz WPFLPFBZHWKDLF-ZDUSSCGKSA-N 0 0 289.306 3.118 20 10 CGCDRN C[C@@H]([NH2+]CCCCCC(=O)[O-])c1cc(Cl)ccc1O ZINC001609920738 970604984 /nfs/dbraw/zinc/60/49/84/970604984.db2.gz GAPZDWAJUVRZPW-SNVBAGLBSA-N 0 0 285.771 3.341 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@H+](CC(=O)[O-])C2CCCC2)c1 ZINC001591974397 976588115 /nfs/dbraw/zinc/58/81/15/976588115.db2.gz VBOUQEIMXZTGDS-UHFFFAOYSA-N 0 0 291.391 3.345 20 10 CGCDRN CC[C@H]1CC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001595467927 981157121 /nfs/dbraw/zinc/15/71/21/981157121.db2.gz JJURJNQYECKESD-LBPRGKRZSA-N 0 0 285.343 3.228 20 10 CGCDRN CC(C)(C)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC001589751312 988051507 /nfs/dbraw/zinc/05/15/07/988051507.db2.gz BWFMGEBCWRYNBU-NSHDSACASA-N 0 0 285.771 3.025 20 10 CGCDRN C[C@H]([NH2+]CCC1CC(F)(F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593265893 994576753 /nfs/dbraw/zinc/57/67/53/994576753.db2.gz ZTKIOGSAPYEIAI-VIFPVBQESA-N 0 0 299.317 3.176 20 10 CGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2CC2)cc1 ZINC000000252945 344854225 /nfs/dbraw/zinc/85/42/25/344854225.db2.gz PTZCVAYHXHRILZ-UHFFFAOYSA-N 0 0 298.386 3.284 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ncnc3sccc32)cc1 ZINC000007187685 344866869 /nfs/dbraw/zinc/86/68/69/344866869.db2.gz NEQHYVKBUSYXNY-UHFFFAOYSA-N 0 0 298.415 3.394 20 10 CGCDRN COc1cccc(CNc2nc3ccccc3o2)c1O ZINC000066812736 345307260 /nfs/dbraw/zinc/30/72/60/345307260.db2.gz BATSKDWXENFKTR-UHFFFAOYSA-N 0 0 270.288 3.154 20 10 CGCDRN Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000114371927 345964707 /nfs/dbraw/zinc/96/47/07/345964707.db2.gz CMCWBXDNVHZUEP-UHFFFAOYSA-N 0 0 296.248 3.420 20 10 CGCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CC1 ZINC000276129747 346414254 /nfs/dbraw/zinc/41/42/54/346414254.db2.gz CCRBRBIKLYFYCY-JOCQHMNTSA-N 0 0 261.365 3.225 20 10 CGCDRN C[C@H]([NH2+]C(C1CC1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273411997 299256439 /nfs/dbraw/zinc/25/64/39/299256439.db2.gz PXYAJLSGSFEBEK-VIFPVBQESA-N 0 0 276.336 3.140 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCSc2ccccc21 ZINC000493853935 283731755 /nfs/dbraw/zinc/73/17/55/283731755.db2.gz IYTBSXUIECTZPN-WAYWQWQTSA-N 0 0 288.397 3.295 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000125315443 370934143 /nfs/dbraw/zinc/93/41/43/370934143.db2.gz OZBYODWTCSTCEK-CYBMUJFWSA-N 0 0 291.782 3.496 20 10 CGCDRN COc1ccc(OC)c(NCc2cccc(OC)c2O)c1 ZINC000019910565 368781480 /nfs/dbraw/zinc/78/14/80/368781480.db2.gz NDQIFRRVOFXYBU-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2cncs2)c2ccccc21 ZINC000493254231 244126606 /nfs/dbraw/zinc/12/66/06/244126606.db2.gz ITBCVCUXSPZOEO-ZADCQDASSA-N 0 0 270.357 3.307 20 10 CGCDRN Cc1cc(C(=O)N(C)C)c(C)n1-c1ccccc1C ZINC000047652254 369323076 /nfs/dbraw/zinc/32/30/76/369323076.db2.gz HEYXEUURAXCPFL-UHFFFAOYSA-N 0 0 256.349 3.104 20 10 CGCDRN COc1ccc(N(C)Cc2nccs2)cc1Cl ZINC000135146284 371394260 /nfs/dbraw/zinc/39/42/60/371394260.db2.gz MOOWMJGPMRHSQE-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN FC(F)CNCc1ccc(N2CCCCC2)cc1 ZINC000136572728 371478972 /nfs/dbraw/zinc/47/89/72/371478972.db2.gz CYGQMDAGZJSOGV-UHFFFAOYSA-N 0 0 254.324 3.032 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000287013035 371590184 /nfs/dbraw/zinc/59/01/84/371590184.db2.gz QMPDQGWDYWZYPF-MFKMUULPSA-N 0 0 269.772 3.265 20 10 CGCDRN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000287257113 371630501 /nfs/dbraw/zinc/63/05/01/371630501.db2.gz ZUNYCZGDHVQTEC-IUCAKERBSA-N 0 0 291.222 3.300 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C(C)(C)C3CC3)ccc21 ZINC000287688680 371695576 /nfs/dbraw/zinc/69/55/76/371695576.db2.gz MFRDZQNXTBKOSS-UHFFFAOYSA-N 0 0 286.419 3.121 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCCO1 ZINC000293556836 372412005 /nfs/dbraw/zinc/41/20/05/372412005.db2.gz HQXAPLZKCSXXPE-XPTSAGLGSA-N 0 0 287.762 3.232 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)cc1[O-] ZINC000168818126 372621952 /nfs/dbraw/zinc/62/19/52/372621952.db2.gz BYJBBIYPCMCUJK-MWLCHTKSSA-N 0 0 287.425 3.031 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000294253063 372628032 /nfs/dbraw/zinc/62/80/32/372628032.db2.gz QEMDVKIAZKVHLT-FIXISWKDSA-N 0 0 269.360 3.243 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccsc1 ZINC000170732240 372653661 /nfs/dbraw/zinc/65/36/61/372653661.db2.gz SUOYHQZDNASUOK-UHFFFAOYSA-N 0 0 289.400 3.435 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000296583483 373183949 /nfs/dbraw/zinc/18/39/49/373183949.db2.gz ULOPJORTWNZVCA-NSHDSACASA-N 0 0 276.405 3.359 20 10 CGCDRN C[C@H](CC1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC000296829182 373249846 /nfs/dbraw/zinc/24/98/46/373249846.db2.gz AYYUWSBYXOPSNI-GFCCVEGCSA-N 0 0 260.381 3.101 20 10 CGCDRN Nc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000296853146 373251210 /nfs/dbraw/zinc/25/12/10/373251210.db2.gz CRSAITUVRFYEEG-UHFFFAOYSA-N 0 0 280.371 3.078 20 10 CGCDRN Cc1ccc2nc(C[NH2+][C@H]3CCc4cccc(O)c43)cn2c1 ZINC000297151369 373258235 /nfs/dbraw/zinc/25/82/35/373258235.db2.gz AWUPIYUQWHUIJW-HNNXBMFYSA-N 0 0 293.370 3.125 20 10 CGCDRN COC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCCC1 ZINC000297159650 373258513 /nfs/dbraw/zinc/25/85/13/373258513.db2.gz CUERCUYEPANHPM-NSHDSACASA-N 0 0 267.344 3.141 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)c2ccoc2)C2CC2)cc1 ZINC000298375588 373308742 /nfs/dbraw/zinc/30/87/42/373308742.db2.gz NKYTWPXJGVHBRG-UHFFFAOYSA-N 0 0 284.359 3.150 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)NCC1CCCCC1 ZINC000299061821 373454402 /nfs/dbraw/zinc/45/44/02/373454402.db2.gz UHZRJQUPNLVHTJ-JTQLQIEISA-N 0 0 284.450 3.320 20 10 CGCDRN Cc1ccc([C@H]2COCCN2Cc2cccc(C)c2O)o1 ZINC000180289903 373988879 /nfs/dbraw/zinc/98/88/79/373988879.db2.gz IZUUSAXVUPXNTO-OAHLLOKOSA-N 0 0 287.359 3.176 20 10 CGCDRN CCCOc1ccc(CNc2nnc(CCC)o2)c(O)c1 ZINC000181680904 374154648 /nfs/dbraw/zinc/15/46/48/374154648.db2.gz STZXKPKCGXVAIH-UHFFFAOYSA-N 0 0 291.351 3.129 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000182904079 374341403 /nfs/dbraw/zinc/34/14/03/374341403.db2.gz IBRLUJANFIDXRZ-KBPBESRZSA-N 0 0 276.424 3.393 20 10 CGCDRN C[N@H+](CCc1ccncc1)Cc1cccc(Cl)c1[O-] ZINC000183758869 374451195 /nfs/dbraw/zinc/45/11/95/374451195.db2.gz JJBUBYCQKKJWGG-UHFFFAOYSA-N 0 0 276.767 3.115 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187746042 375085658 /nfs/dbraw/zinc/08/56/58/375085658.db2.gz RQSONLMPEMAUGV-AKWBHNSASA-N 0 0 299.361 3.262 20 10 CGCDRN FC(F)C(F)(F)COCCSc1nccs1 ZINC000188977134 375304454 /nfs/dbraw/zinc/30/44/54/375304454.db2.gz RCWQXKJZPKPLFR-UHFFFAOYSA-N 0 0 275.292 3.152 20 10 CGCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)co1 ZINC000188781286 375268577 /nfs/dbraw/zinc/26/85/77/375268577.db2.gz UPZOFZQMHMFZSY-UHFFFAOYSA-N 0 0 285.343 3.102 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2cccc(F)c21 ZINC000492662382 375449859 /nfs/dbraw/zinc/44/98/59/375449859.db2.gz KNOQIHWJTZUKAS-AATRIKPKSA-N 0 0 288.347 3.193 20 10 CGCDRN C[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192882640 375797742 /nfs/dbraw/zinc/79/77/42/375797742.db2.gz ZQYUZVUYSMFOPF-HTQZYQBOSA-N 0 0 278.179 3.121 20 10 CGCDRN CCCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000269174082 378195334 /nfs/dbraw/zinc/19/53/34/378195334.db2.gz GLQLFKQNCZPHOX-UHFFFAOYSA-N 0 0 299.370 3.023 20 10 CGCDRN OCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000271083858 378450987 /nfs/dbraw/zinc/45/09/87/378450987.db2.gz SHIFJEFRXXELPA-UHFFFAOYSA-N 0 0 283.371 3.016 20 10 CGCDRN OCC[N@H+](Cc1ccccc1O)[C@H]1CCCc2ccccc21 ZINC000271453983 378494032 /nfs/dbraw/zinc/49/40/32/378494032.db2.gz VKHKPVBAISRZHM-SFHVURJKSA-N 0 0 297.398 3.264 20 10 CGCDRN COC1(C)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000271599690 378498533 /nfs/dbraw/zinc/49/85/33/378498533.db2.gz HRZCACJTXWZXMV-UHFFFAOYSA-N 0 0 263.381 3.010 20 10 CGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000272310282 378610757 /nfs/dbraw/zinc/61/07/57/378610757.db2.gz RIVDUKIUVTVLAQ-QGZVFWFLSA-N 0 0 287.334 3.105 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccsc2)c1 ZINC000273409087 378746311 /nfs/dbraw/zinc/74/63/11/378746311.db2.gz PGAWREWCWVVLOV-SNVBAGLBSA-N 0 0 291.372 3.091 20 10 CGCDRN Cc1nnc([C@@H](C)N[C@H](C)c2ccc(F)cc2O)s1 ZINC000274262695 378800562 /nfs/dbraw/zinc/80/05/62/378800562.db2.gz VCCUMNJFAPYGAX-HTQZYQBOSA-N 0 0 281.356 3.103 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccon1 ZINC000282598169 379952033 /nfs/dbraw/zinc/95/20/33/379952033.db2.gz FRJHVYVFBCJWJB-UHFFFAOYSA-N 0 0 289.335 3.214 20 10 CGCDRN Cc1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)no1 ZINC000282641941 379960667 /nfs/dbraw/zinc/96/06/67/379960667.db2.gz KMQIIXILMNTSQA-CQSZACIVSA-N 0 0 285.391 3.434 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000285532764 380149755 /nfs/dbraw/zinc/14/97/55/380149755.db2.gz FOOBYXNTKIZUDO-WBVHZDCISA-N 0 0 289.350 3.306 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccc(F)cc1[O-] ZINC000286170325 380171046 /nfs/dbraw/zinc/17/10/46/380171046.db2.gz PTULTAOPXXQSDJ-BXKDBHETSA-N 0 0 257.374 3.324 20 10 CGCDRN CC[C@@H]([NH2+]CCCCCCO)c1ccc(F)cc1[O-] ZINC000286327414 380197209 /nfs/dbraw/zinc/19/72/09/380197209.db2.gz YFZFWCLCKILPAQ-CQSZACIVSA-N 0 0 269.360 3.125 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(F)cc1[O-] ZINC000285769217 380152792 /nfs/dbraw/zinc/15/27/92/380152792.db2.gz SRKXXKYNVXOQPU-BMIGLBTASA-N 0 0 291.370 3.375 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000285903256 380152897 /nfs/dbraw/zinc/15/28/97/380152897.db2.gz BLABSLDUPMXQGA-KGLIPLIRSA-N 0 0 293.338 3.289 20 10 CGCDRN CC[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(F)cc1[O-] ZINC000286007966 380158369 /nfs/dbraw/zinc/15/83/69/380158369.db2.gz JBQKNCBZEBWSRI-AWEZNQCLSA-N 0 0 283.387 3.371 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1cncc(C)n1 ZINC000359831269 381371349 /nfs/dbraw/zinc/37/13/49/381371349.db2.gz LQKVHBWFTJIGPU-UHFFFAOYSA-N 0 0 266.348 3.197 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000363845758 382259304 /nfs/dbraw/zinc/25/93/04/382259304.db2.gz BEOVZYYRPAGTCM-CEFQPYBMSA-N 0 0 293.382 3.386 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000364470692 382272017 /nfs/dbraw/zinc/27/20/17/382272017.db2.gz DDUSMNRAMIFHNT-UHFFFAOYSA-N 0 0 299.773 3.187 20 10 CGCDRN COc1ccc2c(c1)c1c(n2Cc2nc(C)no2)CCCC1 ZINC000351407795 542545544 /nfs/dbraw/zinc/54/55/44/542545544.db2.gz PKRJTASFNSXVRL-UHFFFAOYSA-N 0 0 297.358 3.268 20 10 CGCDRN C[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104818352 392280413 /nfs/dbraw/zinc/28/04/13/392280413.db2.gz AYKDMRNIYAZBNE-CJNGLKHVSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(C)c1ncc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000119604435 392396589 /nfs/dbraw/zinc/39/65/89/392396589.db2.gz VNYKTRLUMFDKMD-UHFFFAOYSA-N 0 0 290.388 3.244 20 10 CGCDRN C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(F)cc1O ZINC000287391794 392397784 /nfs/dbraw/zinc/39/77/84/392397784.db2.gz QERQEPAETAQTJT-RQJHMYQMSA-N 0 0 251.223 3.133 20 10 CGCDRN Cc1cc(N(Cc2ccco2)Cc2ccccc2O)ncn1 ZINC000302016772 392607577 /nfs/dbraw/zinc/60/75/77/392607577.db2.gz LXTPBZDREJOSOV-UHFFFAOYSA-N 0 0 295.342 3.290 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC=CCC1 ZINC000172447014 392618736 /nfs/dbraw/zinc/61/87/36/392618736.db2.gz GVVIWHXEZTWPFU-MRXNPFEDSA-N 0 0 299.418 3.195 20 10 CGCDRN CCSCC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000179529936 392702312 /nfs/dbraw/zinc/70/23/12/392702312.db2.gz QBLDEMOGZWSWRK-NSHDSACASA-N 0 0 297.420 3.010 20 10 CGCDRN CCc1ccc([C@H]2COCCN2Cc2ccccc2O)o1 ZINC000179576377 392704513 /nfs/dbraw/zinc/70/45/13/392704513.db2.gz GRTIEEGLIJWJQW-OAHLLOKOSA-N 0 0 287.359 3.121 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H]2CCCCC2(C)C)c1O ZINC000194367299 392916535 /nfs/dbraw/zinc/91/65/35/392916535.db2.gz TZGOEYULTCLTHD-ZDUSSCGKSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccoc1 ZINC000348701684 393126713 /nfs/dbraw/zinc/12/67/13/393126713.db2.gz RIRHNEVYIZUSNG-UHFFFAOYSA-N 0 0 268.316 3.010 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCCc2cc(F)ccc21 ZINC000493324358 393770525 /nfs/dbraw/zinc/77/05/25/393770525.db2.gz PZOFSGZJADAGSE-XQRVVYSFSA-N 0 0 288.347 3.275 20 10 CGCDRN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000279080846 286812789 /nfs/dbraw/zinc/81/27/89/286812789.db2.gz DYTHNSADLUCCPK-DGCLKSJQSA-N 0 0 277.364 3.139 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1ccc3c(c1)CCO3)CC2 ZINC000296933079 224672627 /nfs/dbraw/zinc/67/26/27/224672627.db2.gz QBLMSKWNXKGMNH-CQSZACIVSA-N 0 0 267.328 3.427 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)[nH]1 ZINC000352123565 228185516 /nfs/dbraw/zinc/18/55/16/228185516.db2.gz VZUGEOADOHBJQI-UHFFFAOYSA-N 0 0 295.386 3.362 20 10 CGCDRN COCCC1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000151966763 261057761 /nfs/dbraw/zinc/05/77/61/261057761.db2.gz PXTSHVDZRFDHFK-UHFFFAOYSA-N 0 0 283.799 3.342 20 10 CGCDRN CCC[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000159087562 261177673 /nfs/dbraw/zinc/17/76/73/261177673.db2.gz QOYFPPDGAOQIES-OAHLLOKOSA-N 0 0 299.370 3.298 20 10 CGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000159111065 261178815 /nfs/dbraw/zinc/17/88/15/261178815.db2.gz SICVFDYMKGUFOL-KGLIPLIRSA-N 0 0 282.387 3.120 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccccc2OCC2CC2)cc1 ZINC000160525664 261216802 /nfs/dbraw/zinc/21/68/02/261216802.db2.gz JVWJPMOWGOZMMJ-UHFFFAOYSA-N 0 0 296.370 3.239 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000184320511 262016607 /nfs/dbraw/zinc/01/66/07/262016607.db2.gz YXQKEJRFBOWQBJ-CABCVRRESA-N 0 0 275.392 3.423 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000184944404 262034881 /nfs/dbraw/zinc/03/48/81/262034881.db2.gz ZCTOPGDMRIIFDZ-YVEFUNNKSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185098908 262040750 /nfs/dbraw/zinc/04/07/50/262040750.db2.gz NMGPCTIGCZBYHU-SJKOYZFVSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(F)cc1[O-] ZINC000185518652 262058024 /nfs/dbraw/zinc/05/80/24/262058024.db2.gz RAGURGDMYAZTQS-BMIGLBTASA-N 0 0 295.379 3.151 20 10 CGCDRN C/C(=C\C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000194923778 262243687 /nfs/dbraw/zinc/24/36/87/262243687.db2.gz KXYYMDGWUJAQDK-JLHYYAGUSA-N 0 0 284.403 3.042 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000186515289 262315947 /nfs/dbraw/zinc/31/59/47/262315947.db2.gz UTKJYFJVAOLOJN-WCQYABFASA-N 0 0 267.344 3.141 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000186515255 262316091 /nfs/dbraw/zinc/31/60/91/262316091.db2.gz UTKJYFJVAOLOJN-AAEUAGOBSA-N 0 0 267.344 3.141 20 10 CGCDRN Cc1cc(C)cc(OCCC(=O)NCc2ccccc2O)c1 ZINC000269112684 262965801 /nfs/dbraw/zinc/96/58/01/262965801.db2.gz CFMQCMRYBVXHKL-UHFFFAOYSA-N 0 0 299.370 3.094 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(F)cc1[O-] ZINC000291084961 263119959 /nfs/dbraw/zinc/11/99/59/263119959.db2.gz CHPNNHOEUPNDAZ-GDBMZVCRSA-N 0 0 281.371 3.387 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377195032 268055055 /nfs/dbraw/zinc/05/50/55/268055055.db2.gz CLAZEEINUWFCOZ-GHMZBOCLSA-N 0 0 299.773 3.043 20 10 CGCDRN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237771974 290337524 /nfs/dbraw/zinc/33/75/24/290337524.db2.gz BGAPYPUKPNKOGM-SWLSCSKDSA-N 0 0 274.408 3.142 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(C(C)(C)C)o2)cc1 ZINC000185892024 327850045 /nfs/dbraw/zinc/85/00/45/327850045.db2.gz BAGAQUTUWBQGFO-UHFFFAOYSA-N 0 0 274.368 3.045 20 10 CGCDRN CC[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C ZINC000186395422 327853393 /nfs/dbraw/zinc/85/33/93/327853393.db2.gz YZZDVKRNIUUYFI-GXTWGEPZSA-N 0 0 293.407 3.217 20 10 CGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271138248 328195391 /nfs/dbraw/zinc/19/53/91/328195391.db2.gz VCXNQGOTMSONFL-NSHDSACASA-N 0 0 291.782 3.148 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H]2CCCO[C@@H]21 ZINC000360037582 329070455 /nfs/dbraw/zinc/07/04/55/329070455.db2.gz DPAJKOSZSMUBRB-GLQYFDAESA-N 0 0 295.810 3.339 20 10 CGCDRN CN(Cc1c[nH]nc1-c1cccnc1)c1ccccc1 ZINC000180413220 329216494 /nfs/dbraw/zinc/21/64/94/329216494.db2.gz LKDHHIRFLOUTSC-UHFFFAOYSA-N 0 0 264.332 3.108 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCC(=O)c3cccn3C)cc12 ZINC000421202264 329805525 /nfs/dbraw/zinc/80/55/25/329805525.db2.gz QDDTXBOMLALGTE-UHFFFAOYSA-N 0 0 296.370 3.395 20 10 CGCDRN Cc1cc(O)c(C[NH2+]Cc2cccnc2C)cc1C ZINC000527794197 330283806 /nfs/dbraw/zinc/28/38/06/330283806.db2.gz VTJXTJCVNWAFLJ-UHFFFAOYSA-N 0 0 256.349 3.002 20 10 CGCDRN O=C(/C=C/c1cnccn1)N1CCCc2cccc(Cl)c21 ZINC000491533764 332231206 /nfs/dbraw/zinc/23/12/06/332231206.db2.gz RQNROSXUDUYREL-VOTSOKGWSA-N 0 0 299.761 3.123 20 10 CGCDRN O=C(/C=C\c1cnccn1)N(CC1CCC1)c1ccccc1 ZINC000492063081 332381232 /nfs/dbraw/zinc/38/12/32/332381232.db2.gz BMQDQJGJEASZSO-KTKRTIGZSA-N 0 0 293.370 3.323 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2cc(F)ccc2F)cn1 ZINC000492437583 332397363 /nfs/dbraw/zinc/39/73/63/332397363.db2.gz INIRMTMAMPVBGO-VMPITWQZSA-N 0 0 288.297 3.344 20 10 CGCDRN COc1cccc2c1CCCN2C(=O)/C=C\c1cccnc1 ZINC000492801415 332414139 /nfs/dbraw/zinc/41/41/39/332414139.db2.gz BVKJCVAWMABESW-KTKRTIGZSA-N 0 0 294.354 3.083 20 10 CGCDRN CC(C)Cn1cc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000296763458 519516194 /nfs/dbraw/zinc/51/61/94/519516194.db2.gz KGKBMONFGMENFE-AWEZNQCLSA-N 0 0 271.364 3.344 20 10 CGCDRN CC(C)c1nn(C)cc1NCc1ccc(N(C)C)cc1 ZINC000280209525 519883538 /nfs/dbraw/zinc/88/35/38/519883538.db2.gz FOKFEPAYBFGTFK-UHFFFAOYSA-N 0 0 272.396 3.222 20 10 CGCDRN CCOc1cc(NCc2ccccc2O)ccc1OC ZINC000037091757 520760795 /nfs/dbraw/zinc/76/07/95/520760795.db2.gz VHIGHFZSBKKWIE-UHFFFAOYSA-N 0 0 273.332 3.412 20 10 CGCDRN CCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000103413749 521088843 /nfs/dbraw/zinc/08/88/43/521088843.db2.gz FCLUPMSNIVCARB-UHFFFAOYSA-N 0 0 288.313 3.054 20 10 CGCDRN CCOc1ccc(O)c(CNc2cn(C)nc2C(C)C)c1 ZINC000280337407 521155308 /nfs/dbraw/zinc/15/53/08/521155308.db2.gz QYRQSXNKGXTGGS-UHFFFAOYSA-N 0 0 289.379 3.260 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(C)(C)O1 ZINC000279772758 521689431 /nfs/dbraw/zinc/68/94/31/521689431.db2.gz GDXRTQWHSQYADA-OAHLLOKOSA-N 0 0 291.391 3.088 20 10 CGCDRN COCCc1ccnc(NCc2cccc(Cl)c2O)c1 ZINC000289814138 522027689 /nfs/dbraw/zinc/02/76/89/522027689.db2.gz SXNGOJFOTAVTIA-UHFFFAOYSA-N 0 0 292.766 3.242 20 10 CGCDRN CC[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])OC ZINC000289843798 522195296 /nfs/dbraw/zinc/19/52/96/522195296.db2.gz PDRTYMCBKGJPOS-SNVBAGLBSA-N 0 0 278.179 3.214 20 10 CGCDRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000279080856 522333111 /nfs/dbraw/zinc/33/31/11/522333111.db2.gz DYTHNSADLUCCPK-YPMHNXCESA-N 0 0 277.364 3.139 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000287445696 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617688624 /nfs/dbraw/zinc/68/86/24/617688624.db2.gz HBBOFSOSJQLJOE-SUNKGSAMSA-N 0 0 283.799 3.247 20 10 CGCDRN CC1(C(=O)NCc2cccc(Cl)c2O)CC=CC1 ZINC000890762742 617818094 /nfs/dbraw/zinc/81/80/94/617818094.db2.gz HHPSJYJHGSMTJW-UHFFFAOYSA-N 0 0 265.740 3.018 20 10 CGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C[C@@H]1C ZINC000158783544 618734794 /nfs/dbraw/zinc/73/47/94/618734794.db2.gz VZYYZRQMINAAEC-MDZLAQPJSA-N 0 0 251.345 3.446 20 10 CGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2ncc[nH]2)cc1F ZINC000286190609 618762139 /nfs/dbraw/zinc/76/21/39/618762139.db2.gz RGILQMYOBKSAFM-LBPRGKRZSA-N 0 0 290.386 3.246 20 10 CGCDRN CC[C@H](C)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179323433 618775891 /nfs/dbraw/zinc/77/58/91/618775891.db2.gz GRYQCGNJJGCPDR-QMMMGPOBSA-N 0 0 272.732 3.184 20 10 CGCDRN Cc1oc2ccccc2c1C=C1SC(=S)NC1=O ZINC000179367550 618777857 /nfs/dbraw/zinc/77/78/57/618777857.db2.gz VTCLBSKFJITTLX-WDZFZDKYSA-N 0 0 275.354 3.230 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nccnc1Cl ZINC000892563676 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ZINC000318779331 619273354 /nfs/dbraw/zinc/27/33/54/619273354.db2.gz NZCLCAJUUWRIDJ-UHFFFAOYSA-N 0 0 296.374 3.345 20 10 CGCDRN C[C@H](NCc1nccn1C1CC1)c1ccc(N(C)C)cc1 ZINC000893684177 619278522 /nfs/dbraw/zinc/27/85/22/619278522.db2.gz ORIZKLCYOYURQX-ZDUSSCGKSA-N 0 0 284.407 3.135 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000894032535 619352959 /nfs/dbraw/zinc/35/29/59/619352959.db2.gz LOKOCUNFVIUNPN-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(F)cc(F)c1 ZINC000047395930 619399071 /nfs/dbraw/zinc/39/90/71/619399071.db2.gz OQIDTBDJYNBQCL-UHFFFAOYSA-N 0 0 292.285 3.334 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000894329549 619494104 /nfs/dbraw/zinc/49/41/04/619494104.db2.gz TVGOFBFAMHFBMP-MWLCHTKSSA-N 0 0 282.771 3.033 20 10 CGCDRN CCCC1(CNC(=O)NCCc2ccc(N)cc2)CCC1 ZINC000841858542 619518936 /nfs/dbraw/zinc/51/89/36/619518936.db2.gz ZPKRTMBICQGWDO-UHFFFAOYSA-N 0 0 289.423 3.081 20 10 CGCDRN CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000048693857 619521259 /nfs/dbraw/zinc/52/12/59/619521259.db2.gz JPVUXHCGTVLVTA-UHFFFAOYSA-N 0 0 276.767 3.497 20 10 CGCDRN C[C@@H](C[N@H+](C)Cc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000894450023 619538781 /nfs/dbraw/zinc/53/87/81/619538781.db2.gz WTUVKCLBKNBEQJ-VIFPVBQESA-N 0 0 298.358 3.362 20 10 CGCDRN CCc1nc(CN[C@@H](C)c2cc(F)ccc2O)cs1 ZINC000185397471 625355339 /nfs/dbraw/zinc/35/53/39/625355339.db2.gz KPDXIHGJWSDOCJ-VIFPVBQESA-N 0 0 280.368 3.401 20 10 CGCDRN CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000841299939 619843189 /nfs/dbraw/zinc/84/31/89/619843189.db2.gz MHZKCAKTJOZVPL-KBPBESRZSA-N 0 0 293.436 3.407 20 10 CGCDRN CC(C)(C)c1nccc(NCc2c(O)cccc2F)n1 ZINC000895832839 619894358 /nfs/dbraw/zinc/89/43/58/619894358.db2.gz NVFBOPJKNBVQRB-UHFFFAOYSA-N 0 0 275.327 3.231 20 10 CGCDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(C)o1 ZINC000185630281 625399174 /nfs/dbraw/zinc/39/91/74/625399174.db2.gz HTXXKEHXHOIZLN-SMDDNHRTSA-N 0 0 293.338 3.471 20 10 CGCDRN Cc1cccc(C2(C(=O)NCc3c(O)cccc3F)CC2)c1 ZINC000928712330 620208667 /nfs/dbraw/zinc/20/86/67/620208667.db2.gz RHHLZVGIRJMJOF-UHFFFAOYSA-N 0 0 299.345 3.188 20 10 CGCDRN CSc1c(F)cccc1C(=O)NCc1ccccc1O ZINC000797942396 620239304 /nfs/dbraw/zinc/23/93/04/620239304.db2.gz DRIOXQJGKHEEHG-UHFFFAOYSA-N 0 0 291.347 3.183 20 10 CGCDRN C[C@H]([NH2+]CCc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841743477 620341468 /nfs/dbraw/zinc/34/14/68/620341468.db2.gz HNORNPPTVBXEQR-NSHDSACASA-N 0 0 276.767 3.334 20 10 CGCDRN CC1(C)CC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897757560 620423878 /nfs/dbraw/zinc/42/38/78/620423878.db2.gz DZGVEQKPKDBDDY-CYBMUJFWSA-N 0 0 291.372 3.231 20 10 CGCDRN CCOc1cccc(CNc2cnn(C3CCC3)c2)c1O ZINC000897875138 620441594 /nfs/dbraw/zinc/44/15/94/620441594.db2.gz BFTFJCFQCGMYJR-UHFFFAOYSA-N 0 0 287.363 3.325 20 10 CGCDRN CN(C)c1ccc(CNc2cnn(C3CCC3)c2)cc1F ZINC000897876346 620442097 /nfs/dbraw/zinc/44/20/97/620442097.db2.gz QXKLCCMJDKKDLK-UHFFFAOYSA-N 0 0 288.370 3.425 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980631 620461450 /nfs/dbraw/zinc/46/14/50/620461450.db2.gz AWRWYBPFKUIRPX-UHFFFAOYSA-N 0 0 294.826 3.152 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000898218198 620488739 /nfs/dbraw/zinc/48/87/39/620488739.db2.gz AOPBNAOPNZCUOO-GFCCVEGCSA-N 0 0 251.757 3.468 20 10 CGCDRN Cc1ccc(CCC[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000898218466 620489654 /nfs/dbraw/zinc/48/96/54/620489654.db2.gz HTBMZKDKSCODOC-UHFFFAOYSA-N 0 0 290.794 3.471 20 10 CGCDRN CSCC(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000898305859 620509016 /nfs/dbraw/zinc/50/90/16/620509016.db2.gz VPKISMYOUDNNCO-UHFFFAOYSA-N 0 0 259.802 3.277 20 10 CGCDRN CCOc1ccc(C[NH2+]C(C)(C)CSC)c(O)c1 ZINC000898305835 620509294 /nfs/dbraw/zinc/50/92/94/620509294.db2.gz UEXXXZMZVZWMDG-UHFFFAOYSA-N 0 0 269.410 3.022 20 10 CGCDRN CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000927026270 620564005 /nfs/dbraw/zinc/56/40/05/620564005.db2.gz ZZYLFLQIIOVEPD-ZYHUDNBSSA-N 0 0 271.788 3.247 20 10 CGCDRN CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000898463254 620590395 /nfs/dbraw/zinc/59/03/95/620590395.db2.gz WGXOOOAPDQPANC-UHFFFAOYSA-N 0 0 291.372 3.231 20 10 CGCDRN CCOC(=O)c1cnc(Sc2ccccc2)s1 ZINC000034555360 620595708 /nfs/dbraw/zinc/59/57/08/620595708.db2.gz XBZZLNNIQBQFKX-UHFFFAOYSA-N 0 0 265.359 3.471 20 10 CGCDRN CC(C)Cc1ccc(/C=C2\SC(=S)N(C)C2=O)cn1 ZINC000899260593 620633764 /nfs/dbraw/zinc/63/37/64/620633764.db2.gz LLPACDSRQVPXSN-GHXNOFRVSA-N 0 0 292.429 3.111 20 10 CGCDRN CC(C)(C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000042412590 620838971 /nfs/dbraw/zinc/83/89/71/620838971.db2.gz BVSZTMGGMYTBSA-UHFFFAOYSA-N 0 0 272.186 3.290 20 10 CGCDRN Cc1cc(NCc2cc(C)c(C)cc2O)nc(C)n1 ZINC000902170888 621183899 /nfs/dbraw/zinc/18/38/99/621183899.db2.gz YLKONYVOQKMUQZ-UHFFFAOYSA-N 0 0 257.337 3.028 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2ccccc21 ZINC000185921406 625496001 /nfs/dbraw/zinc/49/60/01/625496001.db2.gz DCVIYDFZDDBBFX-CMDGGOBGSA-N 0 0 284.384 3.444 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(Cl)c1[O-] ZINC000903286722 621669691 /nfs/dbraw/zinc/66/96/91/621669691.db2.gz NBDNAQPZYQUZPL-PMRMVWLCSA-N 0 0 293.794 3.262 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc(F)cc1[O-] ZINC000903381519 621724253 /nfs/dbraw/zinc/72/42/53/621724253.db2.gz AQVZJJOAWCAQLW-IAQYHMDHSA-N 0 0 279.355 3.284 20 10 CGCDRN Nc1ccc(Cc2noc([C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)n2)cc1 ZINC000904504279 621927744 /nfs/dbraw/zinc/92/77/44/621927744.db2.gz OTUWLMLHBNLCIX-WMKFIOFKSA-N 0 0 281.359 3.002 20 10 CGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000904504635 621928312 /nfs/dbraw/zinc/92/83/12/621928312.db2.gz QRKMFRWLIJMLLA-BPGGGUHBSA-N 0 0 283.375 3.392 20 10 CGCDRN CCCCC[C@H](CC)C(=O)NCc1ccc(O)cc1O ZINC000910950214 622510111 /nfs/dbraw/zinc/51/01/11/622510111.db2.gz SAOATPUPWWSONN-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN CC(C)(C)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC000910943859 622511781 /nfs/dbraw/zinc/51/17/81/622511781.db2.gz PHLZXEKTERMYCB-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN c1csc(-c2n[nH]c(CSc3nccs3)n2)c1 ZINC000150978730 622711263 /nfs/dbraw/zinc/71/12/63/622711263.db2.gz SAXQCGLMBRXVBG-UHFFFAOYSA-N 0 0 280.403 3.282 20 10 CGCDRN COc1ccc(NCc2cc(F)ccc2O)cc1F ZINC000083480728 625591433 /nfs/dbraw/zinc/59/14/33/625591433.db2.gz DSRMYRCSMGZLHL-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN CCOC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164039711 622811863 /nfs/dbraw/zinc/81/18/63/622811863.db2.gz KVGPFGJZVXGUMN-MRVPVSSYSA-N 0 0 273.423 3.484 20 10 CGCDRN C[C@@H]1OCCN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000164202045 622820181 /nfs/dbraw/zinc/82/01/81/622820181.db2.gz OPZQPTKVKAVYKD-RYUDHWBXSA-N 0 0 293.407 3.005 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc2n[nH]cc2c1 ZINC000226581855 622983519 /nfs/dbraw/zinc/98/35/19/622983519.db2.gz XIYVOUNOCBDGLD-UHFFFAOYSA-N 0 0 257.268 3.020 20 10 CGCDRN Cc1cccc(CNc2cccc(-c3nnco3)c2)c1O ZINC000158015749 622992719 /nfs/dbraw/zinc/99/27/19/622992719.db2.gz VYCVKEQOIMXVOB-UHFFFAOYSA-N 0 0 281.315 3.363 20 10 CGCDRN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCSC)c1O ZINC000169089107 623024296 /nfs/dbraw/zinc/02/42/96/623024296.db2.gz ZJVXARROISFEHT-VIFPVBQESA-N 0 0 289.828 3.285 20 10 CGCDRN CCC[N@H+](CC)Cc1cc(Cl)cc(OC)c1O ZINC000228560988 623062832 /nfs/dbraw/zinc/06/28/32/623062832.db2.gz UUTWGHBYMSEYNV-UHFFFAOYSA-N 0 0 257.761 3.286 20 10 CGCDRN COc1cccc(CNC(=O)/C=C(\C)c2ccccc2)c1O ZINC000171486959 623162608 /nfs/dbraw/zinc/16/26/08/623162608.db2.gz ZFNHFFWKKXUVAP-ACCUITESSA-N 0 0 297.354 3.121 20 10 CGCDRN C[C@H]1CSCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000172516321 623253715 /nfs/dbraw/zinc/25/37/15/623253715.db2.gz HMNOSZVSOCRLQH-NSHDSACASA-N 0 0 295.448 3.333 20 10 CGCDRN CC(C)[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000063607342 623338551 /nfs/dbraw/zinc/33/85/51/623338551.db2.gz JMGFHELXHWJHLF-INIZCTEOSA-N 0 0 289.423 3.083 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000063686018 623346618 /nfs/dbraw/zinc/34/66/18/623346618.db2.gz HLYDWWFGWPNVSG-AWEZNQCLSA-N 0 0 286.419 3.339 20 10 CGCDRN CCN(C(=O)/C=C\c1cccnc1)c1cccc(C)c1 ZINC000914471884 623808857 /nfs/dbraw/zinc/80/88/57/623808857.db2.gz HLPNCWZENBGTQE-KTKRTIGZSA-N 0 0 266.344 3.456 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc(C)cc1 ZINC000914475691 623808886 /nfs/dbraw/zinc/80/88/86/623808886.db2.gz SQNJDXYAVDQEDU-DHZHZOJOSA-N 0 0 266.344 3.456 20 10 CGCDRN c1csc(Sc2nnc(-c3ccccc3)o2)n1 ZINC000914862817 623870341 /nfs/dbraw/zinc/87/03/41/623870341.db2.gz HTFXKILHMMZWJL-UHFFFAOYSA-N 0 0 261.331 3.344 20 10 CGCDRN c1csc(-c2nnc(Sc3nccs3)o2)c1 ZINC000914862803 623870434 /nfs/dbraw/zinc/87/04/34/623870434.db2.gz HAEBZNBQHCDYTJ-UHFFFAOYSA-N 0 0 267.360 3.406 20 10 CGCDRN CCCCN(C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000193412090 623920086 /nfs/dbraw/zinc/92/00/86/623920086.db2.gz CCKPQZRBXRDSNT-UHFFFAOYSA-N 0 0 291.439 3.474 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)=C2CCCC2)c1 ZINC000153865321 624115308 /nfs/dbraw/zinc/11/53/08/624115308.db2.gz PVESMOYJLGULOI-LBPRGKRZSA-N 0 0 289.375 3.469 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OC[C@H]2CCCO2)cc1 ZINC000916617823 624194096 /nfs/dbraw/zinc/19/40/96/624194096.db2.gz KKMACFHEBYELGE-QGZVFWFLSA-N 0 0 299.370 3.430 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]cc1C ZINC000916739406 624210805 /nfs/dbraw/zinc/21/08/05/624210805.db2.gz DCEVWXHRNNPANM-UHFFFAOYSA-N 0 0 285.391 3.051 20 10 CGCDRN CCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917005866 624227362 /nfs/dbraw/zinc/22/73/62/624227362.db2.gz ZXXUMRBSGFZWLW-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN Cc1ccc(NC(=O)CSc2nccs2)c(F)c1 ZINC000917535117 624284807 /nfs/dbraw/zinc/28/48/07/624284807.db2.gz XBDTWRCORNLNHG-UHFFFAOYSA-N 0 0 282.365 3.321 20 10 CGCDRN COC(=O)c1cnc(SCc2cnc(C3CC3)o2)s1 ZINC000917778766 624311095 /nfs/dbraw/zinc/31/10/95/624311095.db2.gz UCNMCOQJBCHRGR-UHFFFAOYSA-N 0 0 296.373 3.087 20 10 CGCDRN COC(=O)c1cnc(SCCCc2cccnc2)s1 ZINC000917778809 624311140 /nfs/dbraw/zinc/31/11/40/624311140.db2.gz VIYTWILSJPWECP-UHFFFAOYSA-N 0 0 294.401 3.050 20 10 CGCDRN Cc1ccc2nc(CSc3nccs3)cn2c1 ZINC000064660518 624639842 /nfs/dbraw/zinc/63/98/42/624639842.db2.gz QOPGZCDHGGRJDL-UHFFFAOYSA-N 0 0 261.375 3.392 20 10 CGCDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182521863 625010500 /nfs/dbraw/zinc/01/05/00/625010500.db2.gz YZJCEEPBKQTJDL-BXUZGUMPSA-N 0 0 291.391 3.447 20 10 CGCDRN C[C@H](Nc1cnn(Cc2ccncc2)c1)c1ccccc1O ZINC000183672663 625103691 /nfs/dbraw/zinc/10/36/91/625103691.db2.gz PYHKPQZLKPNEGA-ZDUSSCGKSA-N 0 0 294.358 3.205 20 10 CGCDRN CCC1(C(=O)NCc2cc(OC)ccc2O)CCCCC1 ZINC000184216812 625213199 /nfs/dbraw/zinc/21/31/99/625213199.db2.gz MBEUJYFVHVUHFT-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000922132519 625971552 /nfs/dbraw/zinc/97/15/52/625971552.db2.gz WRUNNHAOESNIOE-VIFPVBQESA-N 0 0 259.271 3.052 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccn1 ZINC000124650218 634478372 /nfs/dbraw/zinc/47/83/72/634478372.db2.gz XMDFDOWQEVDOFZ-JTQLQIEISA-N 0 0 262.740 3.291 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756850793 626170425 /nfs/dbraw/zinc/17/04/25/626170425.db2.gz NUVFBVABCRQIRU-RKDXNWHRSA-N 0 0 286.278 3.139 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1CC ZINC000838666051 626244227 /nfs/dbraw/zinc/24/42/27/626244227.db2.gz UKYWFAZQCLPLSM-HIFRSBDPSA-N 0 0 290.407 3.360 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000838744316 626247575 /nfs/dbraw/zinc/24/75/75/626247575.db2.gz OEZNQJJFWAZSQC-MRXNPFEDSA-N 0 0 288.391 3.112 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C12CCC2 ZINC000839180373 626326205 /nfs/dbraw/zinc/32/62/05/626326205.db2.gz CLEAVHISBRNRHJ-STQMWFEESA-N 0 0 299.773 3.232 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)NCCC2CCCC2)cc1 ZINC000873956749 634497170 /nfs/dbraw/zinc/49/71/70/634497170.db2.gz ALMQMRDTXVXTJS-UHFFFAOYSA-N 0 0 288.351 3.159 20 10 CGCDRN CCCCC[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000751533789 626395024 /nfs/dbraw/zinc/39/50/24/626395024.db2.gz RTXSBHXZKUVMFY-NSHDSACASA-N 0 0 265.353 3.105 20 10 CGCDRN COc1ccc(N(C)C/C(Cl)=C/Cl)c(OC)c1 ZINC000752125067 626419813 /nfs/dbraw/zinc/41/98/13/626419813.db2.gz NAQOWSHMDINSHL-CLFYSBASSA-N 0 0 276.163 3.459 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncccc2F)cc1 ZINC000752766722 626438324 /nfs/dbraw/zinc/43/83/24/626438324.db2.gz SCEKDLHYTUKIRR-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN Cn1cc(NCc2ccccc2O)c(-c2ccccc2)n1 ZINC000753567484 626455582 /nfs/dbraw/zinc/45/55/82/626455582.db2.gz GGZVXXRZXKFUER-UHFFFAOYSA-N 0 0 279.343 3.405 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C1\CC[C@H](C)C1 ZINC000753615192 626458929 /nfs/dbraw/zinc/45/89/29/626458929.db2.gz BBXXPRRURNAYPW-JMRXEAOASA-N 0 0 286.419 3.424 20 10 CGCDRN Cc1ccccc1CC1CN(C(=O)C2=CC(=O)CS2)C1 ZINC000754471539 626572927 /nfs/dbraw/zinc/57/29/27/626572927.db2.gz SWRWDPRXMJLIAW-UHFFFAOYSA-N 0 0 287.384 3.077 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000755864092 626654759 /nfs/dbraw/zinc/65/47/59/626654759.db2.gz PFVXEIKPFWTBJQ-NSHDSACASA-N 0 0 291.347 3.223 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCCC[C@H]1C ZINC000756413081 626703263 /nfs/dbraw/zinc/70/32/63/626703263.db2.gz XLIADZQXDMGICS-MCIONIFRSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756483900 626708669 /nfs/dbraw/zinc/70/86/69/626708669.db2.gz ZGRQQBUGLRFIDJ-DTWKUNHWSA-N 0 0 255.308 3.367 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756483899 626708724 /nfs/dbraw/zinc/70/87/24/626708724.db2.gz ZGRQQBUGLRFIDJ-BDAKNGLRSA-N 0 0 255.308 3.367 20 10 CGCDRN C[C@@H]([NH2+]CC1(O)CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756513344 626711476 /nfs/dbraw/zinc/71/14/76/626711476.db2.gz HNZZVXVYKGUVKB-SNVBAGLBSA-N 0 0 285.334 3.016 20 10 CGCDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756578059 626717691 /nfs/dbraw/zinc/71/76/91/626717691.db2.gz WJMQBLAFPPOVMW-YHAQOWFVSA-N 0 0 287.350 3.118 20 10 CGCDRN CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756610817 626720655 /nfs/dbraw/zinc/72/06/55/626720655.db2.gz QVDXJCGPJHZOCF-JBLDHEPKSA-N 0 0 296.392 3.235 20 10 CGCDRN C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756637017 626722788 /nfs/dbraw/zinc/72/27/88/626722788.db2.gz YTOSZGXEBDRJNJ-RYUDHWBXSA-N 0 0 274.339 3.208 20 10 CGCDRN Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756639650 626723619 /nfs/dbraw/zinc/72/36/19/626723619.db2.gz BHSGRAARMFFHQI-JTQLQIEISA-N 0 0 292.354 3.420 20 10 CGCDRN C[C@H]([NH2+]CCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756649577 626724649 /nfs/dbraw/zinc/72/46/49/626724649.db2.gz QCULTYZGHAXYLR-LURJTMIESA-N 0 0 269.213 3.273 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756656096 626724672 /nfs/dbraw/zinc/72/46/72/626724672.db2.gz TZAGUWSYFFEYMZ-BMIGLBTASA-N 0 0 293.313 3.055 20 10 CGCDRN CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756770355 626730808 /nfs/dbraw/zinc/73/08/08/626730808.db2.gz UHLBCOPUMIJJDW-MNOVXSKESA-N 0 0 266.341 3.386 20 10 CGCDRN CCCn1cc(N[C@@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756848451 626737188 /nfs/dbraw/zinc/73/71/88/626737188.db2.gz LQXLCOSYTNDWPI-VIFPVBQESA-N 0 0 281.306 3.450 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Cc1cccc(C2CC2)c1 ZINC000839542541 626761236 /nfs/dbraw/zinc/76/12/36/626761236.db2.gz RURQCWYHSBBQTI-UHFFFAOYSA-N 0 0 295.382 3.471 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCC(C)C)c1 ZINC000103508834 626764133 /nfs/dbraw/zinc/76/41/33/626764133.db2.gz YDUMAKWZSRKHND-GFCCVEGCSA-N 0 0 294.395 3.197 20 10 CGCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CC[C@H](C)O1)CCC2 ZINC000839656752 626770663 /nfs/dbraw/zinc/77/06/63/626770663.db2.gz RXNWPSAPCAVNEJ-JSGCOSHPSA-N 0 0 291.391 3.024 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1ccccn1)CCC2 ZINC000839656887 626770927 /nfs/dbraw/zinc/77/09/27/626770927.db2.gz WKOAGVPDFVBHCE-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000757637560 626796258 /nfs/dbraw/zinc/79/62/58/626796258.db2.gz JPLXTIUAFNPWGX-ZYHUDNBSSA-N 0 0 285.334 3.280 20 10 CGCDRN CC1(CC(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000757885859 626812635 /nfs/dbraw/zinc/81/26/35/626812635.db2.gz MLKGQQDEXCROPJ-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CC23CCCC3)c1[O-] ZINC000758525733 626847641 /nfs/dbraw/zinc/84/76/41/626847641.db2.gz OWINACRIVZJSEV-LBPRGKRZSA-N 0 0 296.754 3.376 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)cs1 ZINC000760442085 626970474 /nfs/dbraw/zinc/97/04/74/626970474.db2.gz WOGKREFGKSGUID-UHFFFAOYSA-N 0 0 281.764 3.379 20 10 CGCDRN CCC(CC)[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000761871868 627070009 /nfs/dbraw/zinc/07/00/09/627070009.db2.gz NZRTYIYQAZAGAQ-GFCCVEGCSA-N 0 0 263.381 3.423 20 10 CGCDRN CCC(CC)[C@@H](C)C(=O)NCc1cccc(OC)c1O ZINC000761967316 627076208 /nfs/dbraw/zinc/07/62/08/627076208.db2.gz LLVQXBKRURVDRU-LLVKDONJSA-N 0 0 279.380 3.089 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(C3CC3)nn2)cc1 ZINC000762652088 627119038 /nfs/dbraw/zinc/11/90/38/627119038.db2.gz NFYMLKBZIHRYDT-UHFFFAOYSA-N 0 0 268.364 3.032 20 10 CGCDRN COc1cc(CN(C)c2ccc(OC)c(Cl)c2)ccn1 ZINC000762925935 627132273 /nfs/dbraw/zinc/13/22/73/627132273.db2.gz JTHHBDMNHFQZAZ-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN C/C=C/C[C@H](NCc1cc(Cl)ccc1O)C(=O)OCC ZINC000763361908 627153754 /nfs/dbraw/zinc/15/37/54/627153754.db2.gz NEMJXNVGQGMDSQ-LQPUYASZSA-N 0 0 297.782 3.033 20 10 CGCDRN Cc1ccc(O)c(CN2C[C@@H](C)Oc3ccccc32)c1 ZINC000765649361 627265266 /nfs/dbraw/zinc/26/52/66/627265266.db2.gz HXOSUGBFFNDTSE-CYBMUJFWSA-N 0 0 269.344 3.488 20 10 CGCDRN Cc1ccc2c(c1)OCCN2Cc1cc(F)ccc1O ZINC000765654118 627265407 /nfs/dbraw/zinc/26/54/07/627265407.db2.gz FHRPOOPXHSOTRV-UHFFFAOYSA-N 0 0 273.307 3.239 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOCC1CCC1 ZINC000765673949 627266196 /nfs/dbraw/zinc/26/61/96/627266196.db2.gz CBSNWFVHFPNXSR-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN COc1ccc(N(C)CCCC2CCOCC2)cc1F ZINC000765950720 627280714 /nfs/dbraw/zinc/28/07/14/627280714.db2.gz TYYROGMMPLTQMM-UHFFFAOYSA-N 0 0 281.371 3.477 20 10 CGCDRN COc1ccc(N(C[C@H]2CCCOC2)C(C)C)cc1F ZINC000768542307 627485376 /nfs/dbraw/zinc/48/53/76/627485376.db2.gz UXUWNNAAWZRRKZ-CYBMUJFWSA-N 0 0 281.371 3.476 20 10 CGCDRN Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1O ZINC000769362897 627545103 /nfs/dbraw/zinc/54/51/03/627545103.db2.gz MBBJQOMNFUUFTO-UHFFFAOYSA-N 0 0 280.327 3.112 20 10 CGCDRN CN(C)c1ccc(CN2CC(C)(C)OCC2(C)C)cc1F ZINC000769445485 627552892 /nfs/dbraw/zinc/55/28/92/627552892.db2.gz JRRSEVKZPSFQDD-UHFFFAOYSA-N 0 0 294.414 3.281 20 10 CGCDRN Cc1cc(F)cc(NC(=O)NCc2ccccc2O)c1 ZINC000770598949 627630421 /nfs/dbraw/zinc/63/04/21/627630421.db2.gz KPHXURNKUVYQLI-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN COc1ccc(N(C)Cc2ncccc2C)cc1OC ZINC000772175497 627771290 /nfs/dbraw/zinc/77/12/90/627771290.db2.gz PKSFQHPJLBHYGG-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CCOc1cccc(CN2CCc3cc(OC)ccc32)n1 ZINC000772596964 627805109 /nfs/dbraw/zinc/80/51/09/627805109.db2.gz CSMDJPLLKMZUIZ-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN C[C@@H](NC(=O)COc1ccccc1)c1ccc(N(C)C)cc1 ZINC000772993016 627838675 /nfs/dbraw/zinc/83/86/75/627838675.db2.gz DPIKLTPVEYNIFX-CQSZACIVSA-N 0 0 298.386 3.009 20 10 CGCDRN Cc1cccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773001405 627840219 /nfs/dbraw/zinc/84/02/19/627840219.db2.gz UEQITAFDVFGAFX-OAHLLOKOSA-N 0 0 296.414 3.481 20 10 CGCDRN CC[C@H](SC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773007754 627841471 /nfs/dbraw/zinc/84/14/71/627841471.db2.gz JEBHOXNIMGNYJA-RISCZKNCSA-N 0 0 280.437 3.071 20 10 CGCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000773373154 627875825 /nfs/dbraw/zinc/87/58/25/627875825.db2.gz ZICAWZFEQZDEJK-OLZOCXBDSA-N 0 0 289.423 3.159 20 10 CGCDRN C/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)(C)C ZINC000773762822 627913341 /nfs/dbraw/zinc/91/33/41/627913341.db2.gz LDUBDKKWUXNVHS-JATZPVMKSA-N 0 0 291.391 3.137 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccccn1 ZINC000774043062 627939982 /nfs/dbraw/zinc/93/99/82/627939982.db2.gz JBLHDFCWOLMOQP-CQSZACIVSA-N 0 0 298.386 3.330 20 10 CGCDRN CC1(C)c2ccccc2CCN1C(=O)C1=CC(=O)CS1 ZINC000774442566 627991101 /nfs/dbraw/zinc/99/11/01/627991101.db2.gz MYWBCXPISMLVFD-UHFFFAOYSA-N 0 0 287.384 3.387 20 10 CGCDRN CCCCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774952263 628050732 /nfs/dbraw/zinc/05/07/32/628050732.db2.gz GIOGINQBHVRVOD-LLVKDONJSA-N 0 0 296.367 3.367 20 10 CGCDRN C[C@H](NC(=O)Nc1cccnc1)c1ccc(N(C)C)cc1 ZINC000775433018 628094833 /nfs/dbraw/zinc/09/48/33/628094833.db2.gz RZFACSQEMYAOLW-LBPRGKRZSA-N 0 0 284.363 3.030 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccco1 ZINC000775803280 628138081 /nfs/dbraw/zinc/13/80/81/628138081.db2.gz GEYCMWNGNDBGOS-UHFFFAOYSA-N 0 0 269.703 3.110 20 10 CGCDRN COc1cccc(CNc2ccc(N3CCCC3)cn2)c1O ZINC000776036221 628160533 /nfs/dbraw/zinc/16/05/33/628160533.db2.gz DRORBEXRQXGZLK-UHFFFAOYSA-N 0 0 299.374 3.008 20 10 CGCDRN C[C@@H](Cc1ccncc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776222648 628182516 /nfs/dbraw/zinc/18/25/16/628182516.db2.gz PDJZKGIXKSUDGZ-NSHDSACASA-N 0 0 276.767 3.161 20 10 CGCDRN CCOc1ncccc1NCc1ccc(N(C)C)c(F)c1 ZINC000776252755 628184621 /nfs/dbraw/zinc/18/46/21/628184621.db2.gz XRAJXLFFBUKEEV-UHFFFAOYSA-N 0 0 289.354 3.298 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1C=CCCC1 ZINC000777667209 628292040 /nfs/dbraw/zinc/29/20/40/628292040.db2.gz CIJMXGFUIIMGQF-OAHLLOKOSA-N 0 0 286.419 3.424 20 10 CGCDRN COC[C@H](C)n1ccc(NCc2c(O)cccc2Cl)n1 ZINC000778212922 628333939 /nfs/dbraw/zinc/33/39/39/628333939.db2.gz GYOMFIUNCUIBGX-JTQLQIEISA-N 0 0 295.770 3.062 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(Cl)cn2)c(OC)c1 ZINC000778228956 628336258 /nfs/dbraw/zinc/33/62/58/628336258.db2.gz VNAVPEZMAYEOED-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c(c2)COC3)c(OC)c1 ZINC000778228480 628336519 /nfs/dbraw/zinc/33/65/19/628336519.db2.gz QABBFHCAXYWJHC-UHFFFAOYSA-N 0 0 299.370 3.370 20 10 CGCDRN O=C1c2ccccc2N[C@H](c2cccc(F)c2O)N1C1CC1 ZINC000778520478 628353904 /nfs/dbraw/zinc/35/39/04/628353904.db2.gz ZBELHCICNMCIRS-INIZCTEOSA-N 0 0 298.317 3.260 20 10 CGCDRN Cc1cccc2cc(C(=O)NCc3ccc(O)c(O)c3)oc21 ZINC000778925896 628378622 /nfs/dbraw/zinc/37/86/22/628378622.db2.gz QBKOAUYFYWVCDV-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CCC=C(F)C2)c1O ZINC000778960304 628380291 /nfs/dbraw/zinc/38/02/91/628380291.db2.gz IGGILWHFDBMDNE-UHFFFAOYSA-N 0 0 283.730 3.307 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCO[C@@H](C(C)C)C2)c1O ZINC000779151291 628390572 /nfs/dbraw/zinc/39/05/72/628390572.db2.gz XLKNHURXCQLSOE-CQSZACIVSA-N 0 0 283.799 3.211 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1F ZINC000779151132 628391116 /nfs/dbraw/zinc/39/11/16/628391116.db2.gz VMKCGINIMAROHK-SKDRFNHKSA-N 0 0 257.736 3.226 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1C ZINC000779499484 628415586 /nfs/dbraw/zinc/41/55/86/628415586.db2.gz HVWDQMJRWBCSKN-PKNBQFBNSA-N 0 0 297.354 3.473 20 10 CGCDRN C[C@@H]1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC000779658029 628419553 /nfs/dbraw/zinc/41/95/53/628419553.db2.gz RNFPKOLMDJITEE-FMFIFOJESA-N 0 0 294.354 3.341 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1scnc1C ZINC000780766668 628515644 /nfs/dbraw/zinc/51/56/44/628515644.db2.gz JZIUDPSFFRDFBR-UHFFFAOYSA-N 0 0 274.389 3.413 20 10 CGCDRN COc1ccc(N(C)Cc2nc3c(s2)CCC3)cc1F ZINC000780779802 628516809 /nfs/dbraw/zinc/51/68/09/628516809.db2.gz YGKQTEHYVLTZMH-UHFFFAOYSA-N 0 0 292.379 3.416 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)c1ccccc1C ZINC000780897097 628522532 /nfs/dbraw/zinc/52/25/32/628522532.db2.gz VDNRKSUKQWJEFM-UHFFFAOYSA-N 0 0 285.343 3.381 20 10 CGCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2C(C)C)c(O)c1O ZINC000780945726 628525699 /nfs/dbraw/zinc/52/56/99/628525699.db2.gz NTUQJDOVSNLEQP-CYBMUJFWSA-N 0 0 277.364 3.057 20 10 CGCDRN Cc1ccc(F)cc1COC(=O)C1=CC(=O)CS1 ZINC000782274060 628632371 /nfs/dbraw/zinc/63/23/71/628632371.db2.gz GMBCMRVWHHMHIT-UHFFFAOYSA-N 0 0 266.293 3.258 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000783306271 628702025 /nfs/dbraw/zinc/70/20/25/628702025.db2.gz GBPYNBKANDMNIU-GVXVVHGQSA-N 0 0 277.364 3.018 20 10 CGCDRN Cc1ccc(C(=O)N[C@H]2CCCC(C)(C)C2)c(O)c1O ZINC000785637374 628876962 /nfs/dbraw/zinc/87/69/62/628876962.db2.gz ITAOKICFWLZRDG-NSHDSACASA-N 0 0 277.364 3.105 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCCO1 ZINC000785857538 628891782 /nfs/dbraw/zinc/89/17/82/628891782.db2.gz KHDGOEVMIISKKK-UHFFFAOYSA-N 0 0 290.388 3.323 20 10 CGCDRN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000785987199 628905759 /nfs/dbraw/zinc/90/57/59/628905759.db2.gz GCTGUIMZSWSXML-SUNKGSAMSA-N 0 0 283.799 3.027 20 10 CGCDRN CC[C@]1(C)CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000785986748 628906001 /nfs/dbraw/zinc/90/60/01/628906001.db2.gz XFFRQZGCFAHDAQ-OAHLLOKOSA-N 0 0 283.799 3.355 20 10 CGCDRN CCN(CC[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000787260579 629005677 /nfs/dbraw/zinc/00/56/77/629005677.db2.gz ISHJSHMZQNYIGG-AWEZNQCLSA-N 0 0 279.380 3.099 20 10 CGCDRN CCN(CC[C@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000787260582 629005868 /nfs/dbraw/zinc/00/58/68/629005868.db2.gz ISHJSHMZQNYIGG-CQSZACIVSA-N 0 0 279.380 3.099 20 10 CGCDRN Cc1cscc1CNC(=O)N(C)Cc1ccccc1O ZINC000787334932 629009214 /nfs/dbraw/zinc/00/92/14/629009214.db2.gz NMYOLVSCBSCYPS-UHFFFAOYSA-N 0 0 290.388 3.104 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787409040 629011486 /nfs/dbraw/zinc/01/14/86/629011486.db2.gz YQJQJNGGVVNKEF-FOLVSLTJSA-N 0 0 288.391 3.112 20 10 CGCDRN CC(C)OCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788742649 629078473 /nfs/dbraw/zinc/07/84/73/629078473.db2.gz XONHUIJIMALUPK-JTQLQIEISA-N 0 0 291.313 3.487 20 10 CGCDRN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788757370 629079542 /nfs/dbraw/zinc/07/95/42/629079542.db2.gz LDNLDKZTKWTVFZ-LPEHRKFASA-N 0 0 291.313 3.485 20 10 CGCDRN Cc1c[nH]nc1CN(Cc1ccco1)Cc1ccccc1O ZINC000788839868 629085943 /nfs/dbraw/zinc/08/59/43/629085943.db2.gz FNEWIQQDKQZSHT-UHFFFAOYSA-N 0 0 297.358 3.219 20 10 CGCDRN O=[N+]([O-])c1ccc(/C=C/Sc2nccs2)o1 ZINC000789913434 629173310 /nfs/dbraw/zinc/17/33/10/629173310.db2.gz FJUJKHOKMRSLEP-HWKANZROSA-N 0 0 254.292 3.407 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(F)cc1[O-] ZINC000790499701 629214159 /nfs/dbraw/zinc/21/41/59/629214159.db2.gz ZAXZQQJDDRQJSB-LRDDRELGSA-N 0 0 294.414 3.302 20 10 CGCDRN Cc1ccccc1[C@H](NC(=O)c1cccc(O)c1O)C1CC1 ZINC000790707334 629226559 /nfs/dbraw/zinc/22/65/59/629226559.db2.gz NAQDVEDAXNTULH-MRXNPFEDSA-N 0 0 297.354 3.287 20 10 CGCDRN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790970438 629244281 /nfs/dbraw/zinc/24/42/81/629244281.db2.gz JDIFKRSORWOTJU-NXEZZACHSA-N 0 0 289.778 3.071 20 10 CGCDRN CC[C@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H]1CC1(C)C ZINC000875675341 634721616 /nfs/dbraw/zinc/72/16/16/634721616.db2.gz SSJHJSICXZMTJR-KGLIPLIRSA-N 0 0 288.391 3.242 20 10 CGCDRN CC(C)n1cc(NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000875706056 634724593 /nfs/dbraw/zinc/72/45/93/634724593.db2.gz YZOTZDDCYGNASA-NSHDSACASA-N 0 0 288.351 3.052 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cnc(C2CC2)o1 ZINC000862327018 629343666 /nfs/dbraw/zinc/34/36/66/629343666.db2.gz PLLWVHHLNSCHPR-UHFFFAOYSA-N 0 0 299.374 3.017 20 10 CGCDRN CCOc1ccc(N(C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000792174290 629344843 /nfs/dbraw/zinc/34/48/43/629344843.db2.gz QBWROUYWAXALKI-UHFFFAOYSA-N 0 0 288.395 3.068 20 10 CGCDRN CCOc1ccc(O)c(CN2Cc3ccc(O)cc3C2)c1 ZINC000862449216 629380942 /nfs/dbraw/zinc/38/09/42/629380942.db2.gz CRMOCJGWASCAPY-UHFFFAOYSA-N 0 0 285.343 3.012 20 10 CGCDRN CN(C)c1ccc(CN(C)CC(F)F)c(C(F)(F)F)c1 ZINC000792796577 629382628 /nfs/dbraw/zinc/38/26/28/629382628.db2.gz RKSKIDOUAZJIFT-UHFFFAOYSA-N 0 0 296.283 3.468 20 10 CGCDRN CC1(C)CCC[C@@](CO)([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000862485936 629387820 /nfs/dbraw/zinc/38/78/20/629387820.db2.gz TUYGSYFHEXHFRA-MRXNPFEDSA-N 0 0 297.826 3.467 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccns1 ZINC000862539671 629394655 /nfs/dbraw/zinc/39/46/55/629394655.db2.gz PQDYSVPQPBAJPR-ZETCQYMHSA-N 0 0 286.759 3.492 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccns1 ZINC000862539670 629395008 /nfs/dbraw/zinc/39/50/08/629395008.db2.gz PQDYSVPQPBAJPR-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2CCC3(CC3)CC2)c1 ZINC000862754265 629429001 /nfs/dbraw/zinc/42/90/01/629429001.db2.gz WGWSTADOKIDLMX-UHFFFAOYSA-N 0 0 273.376 3.287 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@]2(C)CC=CCC2)c1 ZINC000862754980 629429274 /nfs/dbraw/zinc/42/92/74/629429274.db2.gz MNNASGLYBUJXLO-MRXNPFEDSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCC[C@@H]2C)c1 ZINC000862757410 629429869 /nfs/dbraw/zinc/42/98/69/629429869.db2.gz SVKQMJXCLKLQMF-QWHCGFSZSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000862759735 629431062 /nfs/dbraw/zinc/43/10/62/629431062.db2.gz KITCZNAGSUTAQN-KRWDZBQOSA-N 0 0 295.382 3.437 20 10 CGCDRN O=C(CCC(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000793242858 629434664 /nfs/dbraw/zinc/43/46/64/629434664.db2.gz RZLFKOGHVZSTDT-UHFFFAOYSA-N 0 0 296.361 3.338 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC1(C)C ZINC000806022069 629487942 /nfs/dbraw/zinc/48/79/42/629487942.db2.gz QSANGNVLLJAUEU-OAHLLOKOSA-N 0 0 289.423 3.049 20 10 CGCDRN C/C=C\CNC(=O)N(CCCC)Cc1ccccc1O ZINC000875876174 634743142 /nfs/dbraw/zinc/74/31/42/634743142.db2.gz NDLAERQSFFLKAL-HYXAFXHYSA-N 0 0 276.380 3.280 20 10 CGCDRN CCCc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794383237 629538139 /nfs/dbraw/zinc/53/81/39/629538139.db2.gz JYCRJXQVFQKALO-UHFFFAOYSA-N 0 0 299.370 3.283 20 10 CGCDRN COC(=O)[C@H](Sc1ncc(Cl)s1)C(C)(C)C ZINC000863347975 629541787 /nfs/dbraw/zinc/54/17/87/629541787.db2.gz MGQHEIURIQUCMG-ZETCQYMHSA-N 0 0 279.814 3.476 20 10 CGCDRN COc1ccc(CNC(=O)Nc2cccc(C)c2)c(O)c1 ZINC000794761911 629575600 /nfs/dbraw/zinc/57/56/00/629575600.db2.gz KSJIAGGCNVQKAA-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000794829161 629582977 /nfs/dbraw/zinc/58/29/77/629582977.db2.gz FHQHYIHRIZGVPN-GHMZBOCLSA-N 0 0 286.366 3.051 20 10 CGCDRN Cc1cc(C(=O)NCCCC2CC2)c(C)n1-c1ccccn1 ZINC000119524960 629609145 /nfs/dbraw/zinc/60/91/45/629609145.db2.gz QOJLIMXXKUEMSW-UHFFFAOYSA-N 0 0 297.402 3.409 20 10 CGCDRN C[C@@H](Cc1nc(Cc2ccc(N)cc2)no1)c1ccco1 ZINC000863656436 629634998 /nfs/dbraw/zinc/63/49/98/629634998.db2.gz QGWABCLXOUAYHH-NSHDSACASA-N 0 0 283.331 3.182 20 10 CGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000836406063 634757452 /nfs/dbraw/zinc/75/74/52/634757452.db2.gz PJGUJWKYAUHHCM-GWCFXTLKSA-N 0 0 299.365 3.157 20 10 CGCDRN Cc1c(CNc2ccc3c(c2)ncn3C)cccc1[N+](=O)[O-] ZINC000864016049 629727761 /nfs/dbraw/zinc/72/77/61/629727761.db2.gz KSMWSJPWURMSTI-UHFFFAOYSA-N 0 0 296.330 3.402 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CSC[C@H]2C)c1[O-] ZINC000796403457 629776762 /nfs/dbraw/zinc/77/67/62/629776762.db2.gz RAHHJPMDTQWCNI-OQPBUACISA-N 0 0 299.823 3.089 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1ccc(F)cc1[O-] ZINC000796856709 629849430 /nfs/dbraw/zinc/84/94/30/629849430.db2.gz WSLFGFFDMAMPND-PJODQICGSA-N 0 0 281.371 3.387 20 10 CGCDRN COc1ccc(CNC(=O)Nc2cscc2C)c(O)c1 ZINC000797637225 629973137 /nfs/dbraw/zinc/97/31/37/629973137.db2.gz IJASCASMDKXSKX-UHFFFAOYSA-N 0 0 292.360 3.092 20 10 CGCDRN CCc1occc1C(=O)NCCCSc1nccs1 ZINC000797726317 629979075 /nfs/dbraw/zinc/97/90/75/629979075.db2.gz CGPQBBDRXGXGCU-UHFFFAOYSA-N 0 0 296.417 3.211 20 10 CGCDRN CC(C)(C)OC(=O)[C@H](Sc1nccs1)C1CC1 ZINC000865353092 630069211 /nfs/dbraw/zinc/06/92/11/630069211.db2.gz WBJTXRQPKVGNEK-SECBINFHSA-N 0 0 271.407 3.356 20 10 CGCDRN C[C@H](NC1(C(F)F)CC1)c1cc(Cl)ccc1O ZINC000800502195 630289465 /nfs/dbraw/zinc/28/94/65/630289465.db2.gz OSWDWCOSICGYII-ZETCQYMHSA-N 0 0 261.699 3.494 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1CCc2cc(F)ccc21 ZINC000801077016 630323353 /nfs/dbraw/zinc/32/33/53/630323353.db2.gz YBDWOTOCJUIORR-DJWKRKHSSA-N 0 0 282.318 3.132 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/SC ZINC000801548969 630343190 /nfs/dbraw/zinc/34/31/90/630343190.db2.gz YTAKCAHZPJWJJK-PKNBQFBNSA-N 0 0 279.405 3.398 20 10 CGCDRN CC[C@@H]([NH2+]CC1(O)CCC1)c1cccc(Cl)c1[O-] ZINC000806138769 630547620 /nfs/dbraw/zinc/54/76/20/630547620.db2.gz BJBXIKPNRNXTFJ-GFCCVEGCSA-N 0 0 269.772 3.001 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1[O-] ZINC000806169778 630552820 /nfs/dbraw/zinc/55/28/20/630552820.db2.gz QKKRWCKHFYNWMW-DCAQKATOSA-N 0 0 259.271 3.226 20 10 CGCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCC2(F)F)c1 ZINC000806179806 630553862 /nfs/dbraw/zinc/55/38/62/630553862.db2.gz HRIXJNNGMTVIAW-ZANVPECISA-N 0 0 299.317 3.017 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cscc1C ZINC000808095426 630621662 /nfs/dbraw/zinc/62/16/62/630621662.db2.gz DZYRUNUQNRYJLM-UHFFFAOYSA-N 0 0 296.388 3.178 20 10 CGCDRN Cc1coc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000878219740 635420681 /nfs/dbraw/zinc/42/06/81/635420681.db2.gz RISJOSUBXRWCNF-UHFFFAOYSA-N 0 0 284.359 3.118 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000809729088 630793719 /nfs/dbraw/zinc/79/37/19/630793719.db2.gz QINJPNTZXKFJMY-OAHLLOKOSA-N 0 0 272.323 3.263 20 10 CGCDRN CN(C)c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000810000988 630826591 /nfs/dbraw/zinc/82/65/91/630826591.db2.gz SVZSTAUXWZYPSN-UHFFFAOYSA-N 0 0 295.342 3.382 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(F)CCCCC2)c1 ZINC000810347730 630872489 /nfs/dbraw/zinc/87/24/89/630872489.db2.gz LVARFDPDYDDEIJ-LLVKDONJSA-N 0 0 295.354 3.250 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)co1 ZINC000878596498 635563842 /nfs/dbraw/zinc/56/38/42/635563842.db2.gz FBZXNSVCKOKBDA-UHFFFAOYSA-N 0 0 273.332 3.346 20 10 CGCDRN C[C@H](NC(=O)c1conc1C1CC1)c1ccc(N(C)C)cc1 ZINC000811186371 631042445 /nfs/dbraw/zinc/04/24/45/631042445.db2.gz LVOVELSOWHKRNR-NSHDSACASA-N 0 0 299.374 3.109 20 10 CGCDRN Cc1c[nH]nc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000811489820 631074586 /nfs/dbraw/zinc/07/45/86/631074586.db2.gz IANJKHFDLRFVFK-UHFFFAOYSA-N 0 0 293.317 3.272 20 10 CGCDRN COc1cccc(CNc2ccc3c(C)nn(C)c3c2)c1O ZINC000812774570 631305318 /nfs/dbraw/zinc/30/53/18/631305318.db2.gz RGMYQDUUOGCCQA-UHFFFAOYSA-N 0 0 297.358 3.208 20 10 CGCDRN CC1(C)CCc2onc(C(=O)Nc3ccc(N)cc3)c2C1 ZINC000876504093 634848927 /nfs/dbraw/zinc/84/89/27/634848927.db2.gz JHVZKTQVWJIDBM-UHFFFAOYSA-N 0 0 285.347 3.024 20 10 CGCDRN Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(N)cc1 ZINC000876504725 634849047 /nfs/dbraw/zinc/84/90/47/634849047.db2.gz UTLHFNKJUMEYRK-UHFFFAOYSA-N 0 0 267.332 3.102 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000815648015 631812910 /nfs/dbraw/zinc/81/29/10/631812910.db2.gz BROZZJWETGHGJR-TZMCWYRMSA-N 0 0 295.398 3.371 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCO1 ZINC000816559938 632012648 /nfs/dbraw/zinc/01/26/48/632012648.db2.gz ZTEKAAIYBAMIGA-GXTWGEPZSA-N 0 0 287.762 3.232 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](C)OC ZINC000816617106 632025076 /nfs/dbraw/zinc/02/50/76/632025076.db2.gz OZVDTJJZTCMUEC-VIFPVBQESA-N 0 0 275.751 3.042 20 10 CGCDRN CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000817415245 632144626 /nfs/dbraw/zinc/14/46/26/632144626.db2.gz PYZVXVVESZRBFS-MNOVXSKESA-N 0 0 287.762 3.232 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817550717 632181850 /nfs/dbraw/zinc/18/18/50/632181850.db2.gz YRMPYLMEOVVORZ-RBSFLKMASA-N 0 0 299.414 3.323 20 10 CGCDRN CCn1cc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)cn1 ZINC000817761640 632223055 /nfs/dbraw/zinc/22/30/55/632223055.db2.gz NOOZXBTZUNKICJ-UHFFFAOYSA-N 0 0 297.358 3.231 20 10 CGCDRN CC[C@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000817958085 632253892 /nfs/dbraw/zinc/25/38/92/632253892.db2.gz HHEUCQRVZVJVKS-JKSUJKDBSA-N 0 0 294.414 3.480 20 10 CGCDRN CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971145 632264037 /nfs/dbraw/zinc/26/40/37/632264037.db2.gz AZJROHCCHPILLH-BDAKNGLRSA-N 0 0 291.222 3.348 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(F)cc1[O-] ZINC000817982313 632272339 /nfs/dbraw/zinc/27/23/39/632272339.db2.gz RNSWVVCQFOZYNV-CABCVRRESA-N 0 0 280.387 3.090 20 10 CGCDRN CCN(C)c1ccc(CN(C)OCC(F)(F)F)cc1 ZINC000879518561 635802822 /nfs/dbraw/zinc/80/28/22/635802822.db2.gz KKZNUMXOUQKLNP-UHFFFAOYSA-N 0 0 276.302 3.068 20 10 CGCDRN Cc1ccc(C[C@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000818544957 632332443 /nfs/dbraw/zinc/33/24/43/632332443.db2.gz XPPGSWPDPVLCJV-HNNXBMFYSA-N 0 0 296.414 3.115 20 10 CGCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556533 632334067 /nfs/dbraw/zinc/33/40/67/632334067.db2.gz YULNHROSWDTWGI-OLZOCXBDSA-N 0 0 272.373 3.381 20 10 CGCDRN CCCOc1ccccc1NC[C@@H](O)CC(F)(F)F ZINC000819397539 632449457 /nfs/dbraw/zinc/44/94/57/632449457.db2.gz DPPNQDSAKLZZFZ-JTQLQIEISA-N 0 0 277.286 3.201 20 10 CGCDRN C[C@@H]1CCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822051015 632860006 /nfs/dbraw/zinc/86/00/06/632860006.db2.gz QKQBBXXXJSOWLC-LLVKDONJSA-N 0 0 288.351 3.111 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(F)F ZINC000865790105 632892455 /nfs/dbraw/zinc/89/24/55/632892455.db2.gz IROXBDFIQQUWPC-UHFFFAOYSA-N 0 0 288.294 3.071 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCCC1CCC1 ZINC000822451491 632929981 /nfs/dbraw/zinc/92/99/81/632929981.db2.gz MKXUDTAFUCKBHI-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C(C)C ZINC000840478091 633084535 /nfs/dbraw/zinc/08/45/35/633084535.db2.gz CQXBUXKQVVISIN-CQSZACIVSA-N 0 0 291.439 3.042 20 10 CGCDRN CC(F)(F)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824483878 633250767 /nfs/dbraw/zinc/25/07/67/633250767.db2.gz WSZBAAAUSRAKEE-UHFFFAOYSA-N 0 0 267.678 3.320 20 10 CGCDRN CN(C)c1ccc(CNc2cccc([S@@](C)=O)c2)cc1 ZINC000121905632 633275960 /nfs/dbraw/zinc/27/59/60/633275960.db2.gz IXZSOIKGPJCFCF-FQEVSTJZSA-N 0 0 288.416 3.102 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000867968466 633282601 /nfs/dbraw/zinc/28/26/01/633282601.db2.gz DNMFVURYYLJMTH-OUCADQQQSA-N 0 0 276.380 3.331 20 10 CGCDRN CCCCCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000867995841 633286965 /nfs/dbraw/zinc/28/69/65/633286965.db2.gz JTDAXZZSWNWCBS-LBPRGKRZSA-N 0 0 264.369 3.333 20 10 CGCDRN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000824820250 633296474 /nfs/dbraw/zinc/29/64/74/633296474.db2.gz BXDNWWGNODCJBE-XPTSAGLGSA-N 0 0 287.762 3.042 20 10 CGCDRN Cc1cc(O)c(CN(C)[C@H](C)C(=O)OC(C)C)cc1Cl ZINC000824894191 633302923 /nfs/dbraw/zinc/30/29/23/633302923.db2.gz BWLZYDGBIPJFRO-LLVKDONJSA-N 0 0 299.798 3.126 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000825143494 633332544 /nfs/dbraw/zinc/33/25/44/633332544.db2.gz FLYWVZSVZZUFAW-JTQLQIEISA-N 0 0 287.762 3.091 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1F)c1ccccc1O ZINC000868707517 633354127 /nfs/dbraw/zinc/35/41/27/633354127.db2.gz GXTOVABSLIHOAJ-CYZMBNFOSA-N 0 0 280.343 3.033 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000825839476 633383433 /nfs/dbraw/zinc/38/34/33/633383433.db2.gz NFOBAQYECLPSDN-RWMBFGLXSA-N 0 0 291.391 3.089 20 10 CGCDRN COC[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826036925 633399400 /nfs/dbraw/zinc/39/94/00/633399400.db2.gz RPDNEJZNTJWSID-HNNXBMFYSA-N 0 0 283.799 3.212 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)CCCF)cc2)CC1 ZINC000826862277 633438959 /nfs/dbraw/zinc/43/89/59/633438959.db2.gz XUZKKPHRFJEBBW-UHFFFAOYSA-N 0 0 292.398 3.289 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000827303322 633479174 /nfs/dbraw/zinc/47/91/74/633479174.db2.gz FHHPNMLKJAZFOB-PXAZEXFGSA-N 0 0 289.375 3.324 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CC=CCC2)c1 ZINC000827303326 633479651 /nfs/dbraw/zinc/47/96/51/633479651.db2.gz FHHPNMLKJAZFOB-YVEFUNNKSA-N 0 0 289.375 3.324 20 10 CGCDRN CC(=O)c1nc(NCc2ccc(N(C)C)cc2)sc1C ZINC000827316858 633480660 /nfs/dbraw/zinc/48/06/60/633480660.db2.gz JNBFIZKRAMBAKS-UHFFFAOYSA-N 0 0 289.404 3.332 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nc(C2CCC2)no1 ZINC000827634833 633505935 /nfs/dbraw/zinc/50/59/35/633505935.db2.gz DJICMWBYNPFZGO-UHFFFAOYSA-N 0 0 286.379 3.324 20 10 CGCDRN CCC[C@H]1C[C@@H](C(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827940343 633537525 /nfs/dbraw/zinc/53/75/25/633537525.db2.gz BACDWCPEMDXJKS-RDBSUJKOSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)c1ccco1 ZINC000827955956 633539846 /nfs/dbraw/zinc/53/98/46/633539846.db2.gz HYJZVBMKRUELIJ-NEPJUHHUSA-N 0 0 273.332 3.356 20 10 CGCDRN CO[C@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000827960598 633541551 /nfs/dbraw/zinc/54/15/51/633541551.db2.gz RSDFFBOQOUXBIN-LRDDRELGSA-N 0 0 291.391 3.165 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827968899 633541788 /nfs/dbraw/zinc/54/17/88/633541788.db2.gz CJEDFMAGFFYLMG-NORZTCDRSA-N 0 0 261.365 3.252 20 10 CGCDRN CCC[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827968861 633542210 /nfs/dbraw/zinc/54/22/10/633542210.db2.gz BACDWCPEMDXJKS-MJBXVCDLSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)c1coc(C2CCC2)n1)c1ccccc1O ZINC000827970170 633542871 /nfs/dbraw/zinc/54/28/71/633542871.db2.gz YLGFGDHOBOGLOH-JTQLQIEISA-N 0 0 286.331 3.139 20 10 CGCDRN CCCCS[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978209 633543327 /nfs/dbraw/zinc/54/33/27/633543327.db2.gz KUBIMJBARZIKER-NWDGAFQWSA-N 0 0 281.421 3.491 20 10 CGCDRN COc1ccc(N(Cc2cnns2)CC(C)C)cc1 ZINC000828206501 633582806 /nfs/dbraw/zinc/58/28/06/633582806.db2.gz YATYTSFCBTXZLP-UHFFFAOYSA-N 0 0 277.393 3.209 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nn(CC)nc2C)cc1 ZINC000828194924 633583110 /nfs/dbraw/zinc/58/31/10/633583110.db2.gz XJDJREXMELKCOO-UHFFFAOYSA-N 0 0 288.395 3.032 20 10 CGCDRN C[C@H](NC(=O)c1ccc2c(c1)CCCN2)c1ccccc1O ZINC000870988406 633673655 /nfs/dbraw/zinc/67/36/55/633673655.db2.gz ORRZSAJSYREVGL-LBPRGKRZSA-N 0 0 296.370 3.241 20 10 CGCDRN C[C@@H](Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202311 633723685 /nfs/dbraw/zinc/72/36/85/633723685.db2.gz DBOJYAAGTWXEBI-ZDUSSCGKSA-N 0 0 281.355 3.113 20 10 CGCDRN Cc1ccc(C[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204394 633724241 /nfs/dbraw/zinc/72/42/41/633724241.db2.gz HTDYUQMLKSOILS-CQSZACIVSA-N 0 0 295.382 3.422 20 10 CGCDRN O=C([C@@H]1CCCC[C@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871205711 633725141 /nfs/dbraw/zinc/72/51/41/633725141.db2.gz KGFSMWXMYSJVPI-LSDHHAIUSA-N 0 0 285.387 3.451 20 10 CGCDRN CSc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)o1 ZINC000871205675 633725223 /nfs/dbraw/zinc/72/52/23/633725223.db2.gz JUTWSBGNLWAMRM-UHFFFAOYSA-N 0 0 289.356 3.172 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C ZINC000871205140 633725600 /nfs/dbraw/zinc/72/56/00/633725600.db2.gz OWHPZAKTNHJVLA-JHJVBQTASA-N 0 0 273.376 3.307 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)Cc1ccc(N)cc1 ZINC000829641627 633760946 /nfs/dbraw/zinc/76/09/46/633760946.db2.gz HIPUKRKGJWPKLK-UKRRQHHQSA-N 0 0 274.408 3.144 20 10 CGCDRN CCN1C(=O)/C(=C/c2cc(C)ccc2OC)SC1=S ZINC000209097739 633799254 /nfs/dbraw/zinc/79/92/54/633799254.db2.gz XSIRPMDXQKMEKV-WQLSENKSSA-N 0 0 293.413 3.225 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000830540848 633869619 /nfs/dbraw/zinc/86/96/19/633869619.db2.gz OMKDBEAJYKVPCF-MDHDOXDCSA-N 0 0 289.375 3.014 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2ccccc2C(C)C)c1 ZINC000830544418 633870416 /nfs/dbraw/zinc/87/04/16/633870416.db2.gz PQJQURLPUWFOQX-UHFFFAOYSA-N 0 0 299.370 3.454 20 10 CGCDRN CC(C)Nc1ccccc1NCc1nnc2n1CCCC2 ZINC000871845628 633890370 /nfs/dbraw/zinc/89/03/70/633890370.db2.gz FJXYIBVXCIVIEC-UHFFFAOYSA-N 0 0 285.395 3.047 20 10 CGCDRN C[C@H](NC(=O)OC1CCCC1)c1ccc(N(C)C)cc1 ZINC000831140783 633920251 /nfs/dbraw/zinc/92/02/51/633920251.db2.gz NVHMIYGZJGAMGJ-LBPRGKRZSA-N 0 0 276.380 3.482 20 10 CGCDRN CC(C)CC[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000831406030 633953461 /nfs/dbraw/zinc/95/34/61/633953461.db2.gz FWRYOUWBPXDLRE-INIZCTEOSA-N 0 0 274.408 3.239 20 10 CGCDRN COc1ccc(N(Cc2ccno2)CC2CC2)cc1 ZINC000831582744 633979411 /nfs/dbraw/zinc/97/94/11/633979411.db2.gz FMGDJGAFDQBZGN-UHFFFAOYSA-N 0 0 258.321 3.100 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000846211998 636159475 /nfs/dbraw/zinc/15/94/75/636159475.db2.gz IPDPYNASRZVVFC-LBPRGKRZSA-N 0 0 272.348 3.415 20 10 CGCDRN O=C(NC[C@H]1CCCCC(F)(F)C1)C1=CC(=O)CS1 ZINC000832427082 634058946 /nfs/dbraw/zinc/05/89/46/634058946.db2.gz PZKHVUOVNLCFTD-VIFPVBQESA-N 0 0 289.347 3.399 20 10 CGCDRN Nc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 ZINC000019404116 634099300 /nfs/dbraw/zinc/09/93/00/634099300.db2.gz VXTKMFPPEIDQQN-UHFFFAOYSA-N 0 0 264.687 3.314 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCCCc2cccnc21 ZINC000872289204 634103104 /nfs/dbraw/zinc/10/31/04/634103104.db2.gz YSEWSNBKUZPEBT-WYMLVPIESA-N 0 0 293.370 3.249 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1CCCCc2cccnc21 ZINC000872292428 634103951 /nfs/dbraw/zinc/10/39/51/634103951.db2.gz VVKWXLFJUOIJTG-BQYQJAHWSA-N 0 0 293.370 3.168 20 10 CGCDRN Cc1ccccc1CCN(C)C(=O)c1ccc(C)c(O)c1O ZINC000833833314 634129168 /nfs/dbraw/zinc/12/91/68/634129168.db2.gz JTFVTXXNGFGTJN-UHFFFAOYSA-N 0 0 299.370 3.029 20 10 CGCDRN CCOc1ccccc1OCCN(C)c1ccc(N)cc1 ZINC000019727625 634219370 /nfs/dbraw/zinc/21/93/70/634219370.db2.gz DEJPITGDNUFRQN-UHFFFAOYSA-N 0 0 286.375 3.183 20 10 CGCDRN C[C@H]([NH2+]CCC(C)(F)F)c1cc(F)cc(F)c1[O-] ZINC000834818674 634247001 /nfs/dbraw/zinc/24/70/01/634247001.db2.gz NQZAVWIMQJSSSN-ZETCQYMHSA-N 0 0 265.250 3.366 20 10 CGCDRN CCC[C@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])OC ZINC000834839950 634253776 /nfs/dbraw/zinc/25/37/76/634253776.db2.gz GCVIKEOTEHCEEB-TZMCWYRMSA-N 0 0 269.360 3.387 20 10 CGCDRN CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000834897281 634274147 /nfs/dbraw/zinc/27/41/47/634274147.db2.gz ZNRCHWZKFYQEQG-GHMZBOCLSA-N 0 0 277.343 3.160 20 10 CGCDRN CCCc1ncc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000834898505 634275739 /nfs/dbraw/zinc/27/57/39/634275739.db2.gz FKPMKSOUTDSNLA-SECBINFHSA-N 0 0 296.317 3.462 20 10 CGCDRN CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000834905107 634280802 /nfs/dbraw/zinc/28/08/02/634280802.db2.gz QVSMKBZCDKPCKG-WFASDCNBSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(F)cc(F)c1[O-] ZINC000834905112 634281345 /nfs/dbraw/zinc/28/13/45/634281345.db2.gz SSFSSJSBSXSXNB-SECBINFHSA-N 0 0 287.350 3.118 20 10 CGCDRN CC[C@H]([NH2+]Cc1ncccc1OC)c1ccc(F)cc1[O-] ZINC000834905688 634282359 /nfs/dbraw/zinc/28/23/59/634282359.db2.gz JTWHNKCMGXYFFX-ZDUSSCGKSA-N 0 0 290.338 3.176 20 10 CGCDRN CN(C)c1ccc(/C=C\CNC2(C(F)F)CC2)cc1 ZINC000835049114 634335568 /nfs/dbraw/zinc/33/55/68/634335568.db2.gz FRMDTQQCCHRQCB-ARJAWSKDSA-N 0 0 266.335 3.153 20 10 CGCDRN CN(C)c1ccc(/C=C/CNCC(C)(F)F)cc1 ZINC000835056332 634340232 /nfs/dbraw/zinc/34/02/32/634340232.db2.gz TVEKKDFZSGHUOP-SNAWJCMRSA-N 0 0 254.324 3.011 20 10 CGCDRN CCC(C)(C)OCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000835084587 634349905 /nfs/dbraw/zinc/34/99/05/634349905.db2.gz HDRLTWQKTJKKOX-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCCc2ccc(C)nc21 ZINC000876487306 634844459 /nfs/dbraw/zinc/84/44/59/634844459.db2.gz DMJYKAPAHRNBHI-ACCUITESSA-N 0 0 293.370 3.168 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCCc3ccc(C)nc32)cn1 ZINC000876488885 634844947 /nfs/dbraw/zinc/84/49/47/634844947.db2.gz MHPOKOSATAOEAS-CSKARUKUSA-N 0 0 293.370 3.086 20 10 CGCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])C(C1CC1)C1CC1 ZINC000876651569 634875905 /nfs/dbraw/zinc/87/59/05/634875905.db2.gz GEAFWCBCAHQNKL-UHFFFAOYSA-N 0 0 267.319 3.291 20 10 CGCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(N)cc2)o1 ZINC000837303310 634882145 /nfs/dbraw/zinc/88/21/45/634882145.db2.gz GFPRMMFLVVVHBE-BLLLJJGKSA-N 0 0 298.386 3.234 20 10 CGCDRN C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(N)cc2)C1 ZINC000837302727 634882207 /nfs/dbraw/zinc/88/22/07/634882207.db2.gz DFHCFAZKSRTLTO-TZMCWYRMSA-N 0 0 260.381 3.101 20 10 CGCDRN CCCO[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876720168 634885473 /nfs/dbraw/zinc/88/54/73/634885473.db2.gz CNOSWKLHUNTNIB-ZDUSSCGKSA-N 0 0 299.361 3.452 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000837342800 634892216 /nfs/dbraw/zinc/89/22/16/634892216.db2.gz ZVZHQVCENUHMOL-CQSZACIVSA-N 0 0 286.419 3.339 20 10 CGCDRN Cc1ccc(CNc2cccc(C[S@@](C)=O)c2)c(O)c1 ZINC000876861852 634915705 /nfs/dbraw/zinc/91/57/05/634915705.db2.gz GBZIWMFRXASPSH-HXUWFJFHSA-N 0 0 289.400 3.191 20 10 CGCDRN Cc1c(Cl)cccc1NC(=O)c1cccc(O)c1O ZINC000126202936 634918948 /nfs/dbraw/zinc/91/89/48/634918948.db2.gz WLJCZNMJINWDAC-UHFFFAOYSA-N 0 0 277.707 3.312 20 10 CGCDRN O=C(Nc1ccc(Cl)cc1F)c1cccc(O)c1O ZINC000126302020 634956055 /nfs/dbraw/zinc/95/60/55/634956055.db2.gz BLMKVMHAFWMNDZ-UHFFFAOYSA-N 0 0 281.670 3.143 20 10 CGCDRN CC(C)c1ncc(C(=O)N(C)c2ccc(N)cc2)s1 ZINC000877075260 634973517 /nfs/dbraw/zinc/97/35/17/634973517.db2.gz BNESMLZQDPQXCB-UHFFFAOYSA-N 0 0 275.377 3.125 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077161 634974172 /nfs/dbraw/zinc/97/41/72/634974172.db2.gz YGZMPDLKPARHQO-DOMZBBRYSA-N 0 0 260.381 3.448 20 10 CGCDRN CN(C(=O)C1(Cc2ccccc2)CC1)c1ccc(N)cc1 ZINC000877077742 634975818 /nfs/dbraw/zinc/97/58/18/634975818.db2.gz SMYLBTFKRALJRS-UHFFFAOYSA-N 0 0 280.371 3.255 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C=C1CCC1 ZINC000840557899 635022926 /nfs/dbraw/zinc/02/29/26/635022926.db2.gz URCGIDMROHIWHN-AWEZNQCLSA-N 0 0 286.419 3.219 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840822174 635058248 /nfs/dbraw/zinc/05/82/48/635058248.db2.gz UCXRLDMPRUKEQH-XYHOJCAOSA-N 0 0 276.336 3.140 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)CCOC)c1ccc(F)cc1[O-] ZINC000840836229 635061039 /nfs/dbraw/zinc/06/10/39/635061039.db2.gz WCFGSVISOKFNNA-RISCZKNCSA-N 0 0 269.360 3.245 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2ccccc2C)nc1C ZINC000840843465 635063041 /nfs/dbraw/zinc/06/30/41/635063041.db2.gz FYAVOQZVHVFMAU-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840859683 635067166 /nfs/dbraw/zinc/06/71/66/635067166.db2.gz LKAGTKCXCVDOFU-NQMVMOMDSA-N 0 0 273.348 3.215 20 10 CGCDRN CNC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000840883272 635073071 /nfs/dbraw/zinc/07/30/71/635073071.db2.gz FKHUBSWGTCIMGG-UHFFFAOYSA-N 0 0 297.402 3.033 20 10 CGCDRN Cc1ncc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877685042 635144850 /nfs/dbraw/zinc/14/48/50/635144850.db2.gz JCTCWYSEMGQFPB-SSDOTTSWSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(N)cc2)[C@@H]1C ZINC000841297208 635148958 /nfs/dbraw/zinc/14/89/58/635148958.db2.gz NIWSAVATXSGJBN-JHJVBQTASA-N 0 0 275.396 3.463 20 10 CGCDRN CC[C@@]1(C)CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300557 635149663 /nfs/dbraw/zinc/14/96/63/635149663.db2.gz TVQFWSJKNHZAPX-HNNXBMFYSA-N 0 0 261.369 3.313 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000877700475 635150683 /nfs/dbraw/zinc/15/06/83/635150683.db2.gz ASHMADSTMHLEQT-HUUCEWRRSA-N 0 0 295.810 3.483 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877700777 635151524 /nfs/dbraw/zinc/15/15/24/635151524.db2.gz VMPKNBVKRQVMGM-MGCOHNPYSA-N 0 0 275.776 3.168 20 10 CGCDRN CN(C(=O)c1cccc(O)c1O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841454199 635177982 /nfs/dbraw/zinc/17/79/82/635177982.db2.gz VOKCKCRRQRCZNY-QWHCGFSZSA-N 0 0 291.391 3.385 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877805500 635209180 /nfs/dbraw/zinc/20/91/80/635209180.db2.gz KBRDNONUXUYRJV-ZSGNIPIJSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(Cl)cc1[O-] ZINC000841753037 635227175 /nfs/dbraw/zinc/22/71/75/635227175.db2.gz XIUZLUZGKCQZKJ-JQWIXIFHSA-N 0 0 269.772 3.265 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841752725 635227187 /nfs/dbraw/zinc/22/71/87/635227187.db2.gz GOFOLYLSWSNWFW-QWRGUYRKSA-N 0 0 269.772 3.123 20 10 CGCDRN COCC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754968 635228963 /nfs/dbraw/zinc/22/89/63/635228963.db2.gz DYKIXSCOIIDVEP-WDEREUQCSA-N 0 0 271.788 3.369 20 10 CGCDRN CC[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841832098 635241424 /nfs/dbraw/zinc/24/14/24/635241424.db2.gz GZIXXBXOTMCAOI-CZUORRHYSA-N 0 0 289.423 3.079 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1cccc(Cl)c1O)N2 ZINC000877861072 635243096 /nfs/dbraw/zinc/24/30/96/635243096.db2.gz FMRPBOMMERBSJU-AWEZNQCLSA-N 0 0 288.734 3.208 20 10 CGCDRN CCC[C@@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000841908757 635251515 /nfs/dbraw/zinc/25/15/15/635251515.db2.gz UIBWPMKCMJIWIX-OAHLLOKOSA-N 0 0 291.439 3.325 20 10 CGCDRN CC[C@@H](CN(C)c1ccc(OC)c(Cl)c1)OC ZINC000842152918 635296072 /nfs/dbraw/zinc/29/60/72/635296072.db2.gz MLKUYOGNIFFJER-NSHDSACASA-N 0 0 257.761 3.210 20 10 CGCDRN CCC(C)(C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000104900953 635466429 /nfs/dbraw/zinc/46/64/29/635466429.db2.gz MCNRQKFQALBEKX-JTQLQIEISA-N 0 0 265.353 3.014 20 10 CGCDRN COc1ccc(N2CC[C@@H](COC(=O)C=C(C)C)C2)cc1 ZINC000842878859 635504796 /nfs/dbraw/zinc/50/47/96/635504796.db2.gz DMLGWKGSASOAKP-CQSZACIVSA-N 0 0 289.375 3.031 20 10 CGCDRN CC[C@H](N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000842926146 635512881 /nfs/dbraw/zinc/51/28/81/635512881.db2.gz SXEFIEDOGYEYTM-AAEUAGOBSA-N 0 0 279.380 3.163 20 10 CGCDRN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000842926734 635513085 /nfs/dbraw/zinc/51/30/85/635513085.db2.gz BFSGBHUFTFUJNC-KXUCPTDWSA-N 0 0 289.297 3.239 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2cc(C)cc(C)c2)nc1 ZINC000843280645 635633744 /nfs/dbraw/zinc/63/37/44/635633744.db2.gz IGFMJOZPJUATHS-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN CCc1ccc(NC(=S)NCc2ccc(C)cn2)cc1 ZINC000843282328 635634940 /nfs/dbraw/zinc/63/49/40/635634940.db2.gz ZFWSGFQKYFBTHT-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN CC[C@H](C)C[C@H](NCc1cc(C)c(C)cc1O)C(=O)OC ZINC000843416095 635663317 /nfs/dbraw/zinc/66/33/17/635663317.db2.gz OJKXIMTUABSHHY-NHYWBVRUSA-N 0 0 293.407 3.076 20 10 CGCDRN CC[N@H+](CCSC)Cc1c([O-])ccc(Cl)c1F ZINC000843437737 635676323 /nfs/dbraw/zinc/67/63/23/635676323.db2.gz VQMGATIGHUVEJO-UHFFFAOYSA-N 0 0 277.792 3.370 20 10 CGCDRN CC[C@H](c1ccncc1)N(CC)C(=O)Cc1ccc(N)cc1 ZINC000843489928 635681388 /nfs/dbraw/zinc/68/13/88/635681388.db2.gz NNSLHEQJWGTHDX-QGZVFWFLSA-N 0 0 297.402 3.206 20 10 CGCDRN Nc1ccc(CC(=O)NC2(c3ccccc3F)CCC2)cc1 ZINC000843507141 635682862 /nfs/dbraw/zinc/68/28/62/635682862.db2.gz IUGINVNSNLKZKG-UHFFFAOYSA-N 0 0 298.361 3.146 20 10 CGCDRN CC1=C(C)C[C@@H](C(=O)NCc2ccccc2O)CC1 ZINC000843832330 635786718 /nfs/dbraw/zinc/78/67/18/635786718.db2.gz LQIYMZRBKHFDAE-ZDUSSCGKSA-N 0 0 259.349 3.145 20 10 CGCDRN CC(C)n1ccc(NC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000879457180 635791056 /nfs/dbraw/zinc/79/10/56/635791056.db2.gz XTEJYVUOEOEZAQ-LLVKDONJSA-N 0 0 288.351 3.052 20 10 CGCDRN COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000879648186 635825995 /nfs/dbraw/zinc/82/59/95/635825995.db2.gz CKPVJXDPRRHONB-SNVBAGLBSA-N 0 0 291.372 3.091 20 10 CGCDRN COC(=O)[C@H](N[C@H](C)c1ccccc1O)c1ccccc1C ZINC000879649343 635826744 /nfs/dbraw/zinc/82/67/44/635826744.db2.gz OBEZGFKPALFTHG-CXAGYDPISA-N 0 0 299.370 3.266 20 10 CGCDRN C[C@H](NCC(F)(F)Br)c1ccccc1O ZINC000879650169 635827196 /nfs/dbraw/zinc/82/71/96/635827196.db2.gz MSVYWQMQPLFLNG-ZETCQYMHSA-N 0 0 280.112 3.031 20 10 CGCDRN CC(C)(C)OC(=O)c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000844273363 635853232 /nfs/dbraw/zinc/85/32/32/635853232.db2.gz OTJKHLDMTCWRTR-UHFFFAOYSA-N 0 0 293.344 3.177 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000844352872 635877697 /nfs/dbraw/zinc/87/76/97/635877697.db2.gz AWIDHNLECQRRBX-INIZCTEOSA-N 0 0 275.323 3.004 20 10 CGCDRN CCOc1ccc(CNc2cc(C)cnc2C)c(O)c1 ZINC000844703519 635956036 /nfs/dbraw/zinc/95/60/36/635956036.db2.gz ALFVSSQMIUUTIC-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN CC1CC([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000128873524 636086736 /nfs/dbraw/zinc/08/67/36/636086736.db2.gz NAVRPMQBUHNJQP-UHFFFAOYSA-N 0 0 270.170 3.043 20 10 CGCDRN Nc1ccc(OCc2cn(CCC3CCCC3)nn2)cc1 ZINC000881274803 636092327 /nfs/dbraw/zinc/09/23/27/636092327.db2.gz DABONNIJCUUFGN-UHFFFAOYSA-N 0 0 286.379 3.020 20 10 CGCDRN Cc1cc(C(=O)NC[C@@H]2C=CCC2)c(C)n1-c1ccccn1 ZINC000881493858 636117091 /nfs/dbraw/zinc/11/70/91/636117091.db2.gz ZSEZIKQKOVHZTC-OAHLLOKOSA-N 0 0 295.386 3.185 20 10 CGCDRN CCOc1ccc(CN2CCCC(F)(F)C2)c(O)c1 ZINC000846014118 636129631 /nfs/dbraw/zinc/12/96/31/636129631.db2.gz NFOVVSYEJHHDJP-UHFFFAOYSA-N 0 0 271.307 3.022 20 10 CGCDRN CC[C@H](N[C@@H](C)c1cccc(OC)c1O)C(F)(F)F ZINC000846167360 636152138 /nfs/dbraw/zinc/15/21/38/636152138.db2.gz XIJOOAQXGWKFCB-KWQFWETISA-N 0 0 277.286 3.392 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000846186745 636156159 /nfs/dbraw/zinc/15/61/59/636156159.db2.gz FTJPVROQYJDRDB-DIFFPNOSSA-N 0 0 293.382 3.387 20 10 CGCDRN C/C(=C\C(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846471869 636186994 /nfs/dbraw/zinc/18/69/94/636186994.db2.gz BYRADWOYPQHSGP-RMKNXTFCSA-N 0 0 265.740 3.018 20 10 CGCDRN CCO[C@@H](CC(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000846475010 636188063 /nfs/dbraw/zinc/18/80/63/636188063.db2.gz DEIHSUMEXQCTNQ-AWEZNQCLSA-N 0 0 299.798 3.113 20 10 CGCDRN C[C@@H]1CCC[C@]1(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475310 636188218 /nfs/dbraw/zinc/18/82/18/636188218.db2.gz BYWGYGYJYWLJQZ-BMIGLBTASA-N 0 0 281.783 3.488 20 10 CGCDRN CC(C)c1[nH]ccc1C(=O)NCc1cc(Cl)ccc1O ZINC000846477638 636188947 /nfs/dbraw/zinc/18/89/47/636188947.db2.gz ULGZXVMAJBFGIJ-UHFFFAOYSA-N 0 0 292.766 3.427 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cc(C(C)=O)no2)cc1 ZINC000846822609 636251483 /nfs/dbraw/zinc/25/14/83/636251483.db2.gz DOZNVGCLCGUDDF-UHFFFAOYSA-N 0 0 288.347 3.302 20 10 CGCDRN CN(CCc1ccnn1C)c1ccc(-c2nccs2)cc1 ZINC000846990359 636300913 /nfs/dbraw/zinc/30/09/13/636300913.db2.gz AAHDYLQMXSHIRM-UHFFFAOYSA-N 0 0 298.415 3.223 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC2=CCCCC2)cc1F ZINC000106637962 636327272 /nfs/dbraw/zinc/32/72/72/636327272.db2.gz NYEUQQBYXSDBFX-UHFFFAOYSA-N 0 0 290.382 3.398 20 10 CGCDRN C[C@H](Nc1cc(C2CC2)ncn1)c1ccccc1O ZINC000882703777 636389893 /nfs/dbraw/zinc/38/98/93/636389893.db2.gz KCXJBHITZMWOJR-JTQLQIEISA-N 0 0 255.321 3.233 20 10 CGCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000130738434 636505611 /nfs/dbraw/zinc/50/56/11/636505611.db2.gz VMQIJGPMKAVGTI-CYBMUJFWSA-N 0 0 289.423 3.083 20 10 CGCDRN CSc1ccsc1C(=O)N(C)Cc1ccccc1O ZINC000107346666 636523822 /nfs/dbraw/zinc/52/38/22/636523822.db2.gz NKZHJPVRFKWAGW-UHFFFAOYSA-N 0 0 293.413 3.448 20 10 CGCDRN Cc1cccnc1NCc1cccc(Br)c1O ZINC000130947258 636535012 /nfs/dbraw/zinc/53/50/12/636535012.db2.gz GQEWIQROLKZGGR-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(C)(C)O1 ZINC000883084468 636535956 /nfs/dbraw/zinc/53/59/56/636535956.db2.gz SAQGRJDQGKFDKU-GFCCVEGCSA-N 0 0 285.334 3.106 20 10 CGCDRN COCCc1ccccc1NCc1cc(F)cc(F)c1O ZINC000883100230 636540565 /nfs/dbraw/zinc/54/05/65/636540565.db2.gz QWYGEKONXXEERY-UHFFFAOYSA-N 0 0 293.313 3.471 20 10 CGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)C1CCC(F)(F)CC1 ZINC000848442550 636577760 /nfs/dbraw/zinc/57/77/60/636577760.db2.gz GDNHNCQJJKMZMB-NSHDSACASA-N 0 0 296.361 3.142 20 10 CGCDRN Cc1ccc(CNCc2ccc3c(c2)CCO3)c(Cl)n1 ZINC000883291961 636654327 /nfs/dbraw/zinc/65/43/27/636654327.db2.gz ZBJJXSTYDLRNEN-UHFFFAOYSA-N 0 0 288.778 3.268 20 10 CGCDRN CCc1cccc(CNc2ccc(CNC(C)=O)cc2)c1O ZINC000848891096 636678011 /nfs/dbraw/zinc/67/80/11/636678011.db2.gz NYYDQYVXIANZRL-UHFFFAOYSA-N 0 0 298.386 3.203 20 10 CGCDRN CCc1cccc(CNc2ccc3c(c2)NC(=O)CC3)c1O ZINC000848900153 636681414 /nfs/dbraw/zinc/68/14/14/636681414.db2.gz CAWWKHAFXPXXSV-UHFFFAOYSA-N 0 0 296.370 3.451 20 10 CGCDRN CCc1cccc(CNc2cnc3c(c2)COCC3)c1O ZINC000848900925 636681867 /nfs/dbraw/zinc/68/18/67/636681867.db2.gz REQWUJWFCKGGSX-UHFFFAOYSA-N 0 0 284.359 3.034 20 10 CGCDRN C=C/C=C/CCNC(=O)NCCCSc1nccs1 ZINC000883516896 636777106 /nfs/dbraw/zinc/77/71/06/636777106.db2.gz JWXKOWHIRQHLDX-ONEGZZNKSA-N 0 0 297.449 3.057 20 10 CGCDRN COc1ccc(N(C)Cc2nc3ccccc3o2)c(OC)c1 ZINC000132251897 636796810 /nfs/dbraw/zinc/79/68/10/636796810.db2.gz VSHZWHQFXJOECK-UHFFFAOYSA-N 0 0 298.342 3.481 20 10 CGCDRN CCOC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000132462787 636809846 /nfs/dbraw/zinc/80/98/46/636809846.db2.gz RPJVWQLZNRQFFX-UHFFFAOYSA-N 0 0 269.772 3.047 20 10 CGCDRN Clc1cnc(SCCO[C@H]2CCCCO2)s1 ZINC000849998164 636924141 /nfs/dbraw/zinc/92/41/41/636924141.db2.gz BCEYNMSPEQPNEZ-VIFPVBQESA-N 0 0 279.814 3.432 20 10 CGCDRN CCn1cc(CCSc2ncc(Cl)s2)cn1 ZINC000850000450 636925074 /nfs/dbraw/zinc/92/50/74/636925074.db2.gz VQFSMKPRUXYDND-UHFFFAOYSA-N 0 0 273.814 3.348 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)cn1 ZINC000134209246 637005807 /nfs/dbraw/zinc/00/58/07/637005807.db2.gz AXPWZVRZIWHFAQ-UHFFFAOYSA-N 0 0 284.359 3.148 20 10 CGCDRN Cc1cc(NCc2cccc(Br)c2O)no1 ZINC000134425534 637022230 /nfs/dbraw/zinc/02/22/30/637022230.db2.gz IEUUYXCCXFHAAM-UHFFFAOYSA-N 0 0 283.125 3.063 20 10 CGCDRN CC[C@H]1CCC[C@]1(C)C(=O)N(C)c1ccc(N)cc1 ZINC000884441870 637027442 /nfs/dbraw/zinc/02/74/42/637027442.db2.gz RIRBMUPZVVBUGE-LRDDRELGSA-N 0 0 260.381 3.448 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)C2CC2)c1 ZINC000134748866 637036629 /nfs/dbraw/zinc/03/66/29/637036629.db2.gz JSYIMTDAKOYGFZ-SECBINFHSA-N 0 0 284.197 3.351 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3c(c2)CCOC3)c1 ZINC000850381643 637040316 /nfs/dbraw/zinc/04/03/16/637040316.db2.gz HIHUZBNYQOSNOC-UHFFFAOYSA-N 0 0 269.344 3.385 20 10 CGCDRN COc1cccc(CNc2ccc3c(c2)CCOC3)c1O ZINC000850381797 637040534 /nfs/dbraw/zinc/04/05/34/637040534.db2.gz JOIIONCWUQKYKE-UHFFFAOYSA-N 0 0 285.343 3.086 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCC(F)CC1 ZINC000850395198 637046387 /nfs/dbraw/zinc/04/63/87/637046387.db2.gz FKFYEWMCZQMNEX-XSRFYTQQSA-N 0 0 296.342 3.307 20 10 CGCDRN C[C@@H]([NH2+]CCCF)c1cc(Br)c(F)cc1[O-] ZINC000134936034 637053631 /nfs/dbraw/zinc/05/36/31/637053631.db2.gz WEYHPKWPKNJCQB-SSDOTTSWSA-N 0 0 294.139 3.304 20 10 CGCDRN C[C@H]([NH2+]CCCF)c1cc(Br)cc(F)c1[O-] ZINC000134935968 637053788 /nfs/dbraw/zinc/05/37/88/637053788.db2.gz RKCMVCRDIQUCLK-ZETCQYMHSA-N 0 0 294.139 3.304 20 10 CGCDRN CC[C@H](C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850505103 637093100 /nfs/dbraw/zinc/09/31/00/637093100.db2.gz MQXXNMREMGWMPX-WDEREUQCSA-N 0 0 266.341 3.387 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(F)cc1[O-] ZINC000850526060 637105328 /nfs/dbraw/zinc/10/53/28/637105328.db2.gz AAAOBMUNSCPRGZ-GLZQIGESSA-N 0 0 287.334 3.360 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(Cl)c1[O-] ZINC000850545163 637116027 /nfs/dbraw/zinc/11/60/27/637116027.db2.gz MLGBXHHHZXMMBD-IUODEOHRSA-N 0 0 297.826 3.495 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850578927 637130854 /nfs/dbraw/zinc/13/08/54/637130854.db2.gz PSKDCFTVRFAKMQ-AUTRQRHGSA-N 0 0 290.190 3.263 20 10 CGCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N)cc2)cc1C ZINC000850710788 637135185 /nfs/dbraw/zinc/13/51/85/637135185.db2.gz HVRZBHZFUYZGHP-ZWKOTPCHSA-N 0 0 294.398 3.306 20 10 CGCDRN C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000136402089 637335405 /nfs/dbraw/zinc/33/54/05/637335405.db2.gz OTXWCNJULPMWEW-JGVFFNPUSA-N 0 0 260.164 3.445 20 10 CGCDRN Cc1noc(C)c1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000137059273 637412510 /nfs/dbraw/zinc/41/25/10/637412510.db2.gz DIEJGWGXKOQLNV-FNORWQNLSA-N 0 0 291.738 3.016 20 10 CGCDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ncco1 ZINC000886274383 637477398 /nfs/dbraw/zinc/47/73/98/637477398.db2.gz RRKUGNLGHSDQHA-CYBMUJFWSA-N 0 0 271.364 3.126 20 10 CGCDRN COc1cccc(CNc2cccc(OC)c2OC)c1O ZINC000886275928 637479052 /nfs/dbraw/zinc/47/90/52/637479052.db2.gz QSRYWHHUHAKYIR-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1nnc(CC)[nH]1 ZINC000851792915 637504673 /nfs/dbraw/zinc/50/46/73/637504673.db2.gz UITPMUNOGACFOX-LBPRGKRZSA-N 0 0 288.395 3.046 20 10 CGCDRN Cc1cc(CN(C)Cc2ncc[nH]2)ccc1N1CCCCC1 ZINC000851873486 637528950 /nfs/dbraw/zinc/52/89/50/637528950.db2.gz AXBOIPPIQWJFES-UHFFFAOYSA-N 0 0 298.434 3.340 20 10 CGCDRN C[C@@H]([NH2+]CCCOCC(F)(F)F)c1c([O-])cccc1F ZINC000886501259 637543604 /nfs/dbraw/zinc/54/36/04/637543604.db2.gz CUQPFNSFYBWKSU-SECBINFHSA-N 0 0 295.276 3.151 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc(O)cc1)c1c([O-])cccc1F ZINC000886513097 637546803 /nfs/dbraw/zinc/54/68/03/637546803.db2.gz TXAKYRZQTMWUJJ-LLVKDONJSA-N 0 0 275.323 3.130 20 10 CGCDRN Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886522132 637551779 /nfs/dbraw/zinc/55/17/79/637551779.db2.gz DAXQTEGVDHOYNA-NWDGAFQWSA-N 0 0 291.370 3.023 20 10 CGCDRN Cc1nc(C)c(C[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886532233 637557075 /nfs/dbraw/zinc/55/70/75/637557075.db2.gz GHGWESNBOBQEMF-VIFPVBQESA-N 0 0 280.368 3.455 20 10 CGCDRN C[C@@H]([NH2+]CCOCc1ccccc1)c1c([O-])cccc1F ZINC000886534539 637559521 /nfs/dbraw/zinc/55/95/21/637559521.db2.gz KGPZQHRLRFBNNS-CYBMUJFWSA-N 0 0 289.350 3.399 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1c([O-])cccc1F ZINC000886538507 637562949 /nfs/dbraw/zinc/56/29/49/637562949.db2.gz JFEHGOZDGFKVCD-YGRLFVJLSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886547282 637574700 /nfs/dbraw/zinc/57/47/00/637574700.db2.gz IMWMFDXNLYQMAU-QMTHXVAHSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000219899646 637583446 /nfs/dbraw/zinc/58/34/46/637583446.db2.gz FOLDFXGODLYNHN-LDYMZIIASA-N 0 0 290.190 3.356 20 10 CGCDRN COc1ccc(N(Cc2coc(C)n2)CC2CC2)cc1 ZINC000852135505 637602868 /nfs/dbraw/zinc/60/28/68/637602868.db2.gz PKEOYENJLZUSPS-UHFFFAOYSA-N 0 0 272.348 3.408 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)[C@@H]1SC ZINC000886631867 637619249 /nfs/dbraw/zinc/61/92/49/637619249.db2.gz YFMWDQZIGAZLPO-YYWQGFNFSA-N 0 0 299.411 3.091 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1c([O-])cccc1F ZINC000886649588 637629643 /nfs/dbraw/zinc/62/96/43/637629643.db2.gz DRNMDCNONDBXLL-ASHKBJFXSA-N 0 0 279.355 3.140 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC000110806762 637702858 /nfs/dbraw/zinc/70/28/58/637702858.db2.gz VVSNNLHECGCTCD-LLVKDONJSA-N 0 0 279.355 3.356 20 10 CGCDRN Cc1ccc(NCc2ccc(N3CCCCC3)cc2)nn1 ZINC000853235065 637788830 /nfs/dbraw/zinc/78/88/30/637788830.db2.gz JLMAZYDTPCHVGC-UHFFFAOYSA-N 0 0 282.391 3.387 20 10 CGCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)CC(F)(F)F ZINC000853321464 637809290 /nfs/dbraw/zinc/80/92/90/637809290.db2.gz OXUZHEJVONXBRK-UHFFFAOYSA-N 0 0 289.301 3.369 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000853736418 637905671 /nfs/dbraw/zinc/90/56/71/637905671.db2.gz ALWZLDYUVGFLSC-LLVKDONJSA-N 0 0 294.395 3.025 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)cc1 ZINC000854135332 637993714 /nfs/dbraw/zinc/99/37/14/637993714.db2.gz ZTYHEGYTVPOEQC-IACUBPJLSA-N 0 0 269.348 3.146 20 10 CGCDRN CC[C@H](N[C@@H](C)C[NH2+]C)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231115 638029121 /nfs/dbraw/zinc/02/91/21/638029121.db2.gz DUPHHXARWLQTDT-UFBFGSQYSA-N 0 0 291.222 3.348 20 10 CGCDRN CC[C@H](Cc1ccc(F)cc1)NC(=O)C1=CC(=O)CS1 ZINC000855213323 638158727 /nfs/dbraw/zinc/15/87/27/638158727.db2.gz LTYKVCBYWWJWCN-GFCCVEGCSA-N 0 0 293.363 3.344 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855369204 638176506 /nfs/dbraw/zinc/17/65/06/638176506.db2.gz YPEXBSWHQBQOPZ-GXMKHXEJSA-N 0 0 277.364 3.052 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC2CC1(c1ccccc1)C2 ZINC000856442600 638360053 /nfs/dbraw/zinc/36/00/53/638360053.db2.gz OYXJOIBJAZZORQ-UHFFFAOYSA-N 0 0 285.368 3.215 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1CC(C)C1 ZINC000856958723 638414688 /nfs/dbraw/zinc/41/46/88/638414688.db2.gz RJOKOBHIWSIDAP-UHFFFAOYSA-N 0 0 290.407 3.360 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000857080122 638453631 /nfs/dbraw/zinc/45/36/31/638453631.db2.gz DIPNHLFUYLVNKK-SFYZADRCSA-N 0 0 277.261 3.366 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1C=CCC1 ZINC000115282271 638515490 /nfs/dbraw/zinc/51/54/90/638515490.db2.gz UABXXTAZNVRRSU-CQSZACIVSA-N 0 0 272.392 3.034 20 10 CGCDRN O=C(N[C@H](C(F)F)C1CCCCC1)c1cccc(O)c1O ZINC000857741921 638562607 /nfs/dbraw/zinc/56/26/07/638562607.db2.gz QKMJQZMVDNDAEL-LBPRGKRZSA-N 0 0 299.317 3.042 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000858360287 638692561 /nfs/dbraw/zinc/69/25/61/638692561.db2.gz ZCVLMWDYPRQNHZ-CQSZACIVSA-N 0 0 298.386 3.304 20 10 CGCDRN CCc1onc(C)c1CN(C)c1ccc(OC)c(OC)c1 ZINC000929348644 638920330 /nfs/dbraw/zinc/92/03/30/638920330.db2.gz UERYDMATTRXHDJ-UHFFFAOYSA-N 0 0 290.363 3.199 20 10 CGCDRN COc1ccc(N(C)CCOC2CCSCC2)cc1F ZINC000929827018 638954614 /nfs/dbraw/zinc/95/46/14/638954614.db2.gz QAHLWIXVJBNQHX-UHFFFAOYSA-N 0 0 299.411 3.183 20 10 CGCDRN COc1ccc(N(Cc2nncs2)C(C)C)cc1F ZINC000929952326 638963824 /nfs/dbraw/zinc/96/38/24/638963824.db2.gz XOHCQOIGEDYZLQ-UHFFFAOYSA-N 0 0 281.356 3.101 20 10 CGCDRN CN(CCSc1ccncc1)c1ccc2c(c1)OCO2 ZINC000930093882 638974274 /nfs/dbraw/zinc/97/42/74/638974274.db2.gz OFGRJGOLBNQBQV-UHFFFAOYSA-N 0 0 288.372 3.039 20 10 CGCDRN Oc1ccc(CCNc2ccnc3c(F)cccc23)cc1O ZINC000200346214 639009839 /nfs/dbraw/zinc/00/98/39/639009839.db2.gz HUNSLRFPVSHEFO-UHFFFAOYSA-N 0 0 298.317 3.440 20 10 CGCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027325 639636047 /nfs/dbraw/zinc/63/60/47/639636047.db2.gz NVMBQWNUKKLDIM-VXGBXAGGSA-N 0 0 286.375 3.239 20 10 CGCDRN O=C(CC1CCCC1)NCc1ccc2cccnc2c1O ZINC000862028802 639636057 /nfs/dbraw/zinc/63/60/57/639636057.db2.gz KXYRUECTQBSKNJ-UHFFFAOYSA-N 0 0 284.359 3.137 20 10 CGCDRN CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC=CC1 ZINC000934943126 639722958 /nfs/dbraw/zinc/72/29/58/639722958.db2.gz DYBAYUQEGRLGNU-UHFFFAOYSA-N 0 0 285.387 3.244 20 10 CGCDRN COc1cccc(CNc2ccc(-n3ccnc3)cc2)c1O ZINC000155927386 639957161 /nfs/dbraw/zinc/95/71/61/639957161.db2.gz ONYBJBLOWZSUDD-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000079399284 640399601 /nfs/dbraw/zinc/39/96/01/640399601.db2.gz ZTDBNQARYBRPRA-JTQLQIEISA-N 0 0 291.366 3.497 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1nc2ccccc2n1C ZINC000195120170 640566775 /nfs/dbraw/zinc/56/67/75/640566775.db2.gz KCGOABXMJJQBSF-UHFFFAOYSA-N 0 0 293.370 3.145 20 10 CGCDRN CCC[C@@H](CC)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000195237153 640574628 /nfs/dbraw/zinc/57/46/28/640574628.db2.gz CKEYKNMPTOPDHN-CQSZACIVSA-N 0 0 277.412 3.131 20 10 CGCDRN CCONC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000195678987 640592450 /nfs/dbraw/zinc/59/24/50/640592450.db2.gz SNQSKKYYQNIPPP-UHFFFAOYSA-N 0 0 292.766 3.429 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000246412151 640673804 /nfs/dbraw/zinc/67/38/04/640673804.db2.gz FHIZRNNSNOBEKN-KBNOKHGBSA-N 0 0 289.375 3.014 20 10 CGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000248518249 640765357 /nfs/dbraw/zinc/76/53/57/640765357.db2.gz PUTPYKVKUFBICM-HFAKWTLXSA-N 0 0 293.338 3.287 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC3(CCC3)C2)c1[O-] ZINC000093455846 640772218 /nfs/dbraw/zinc/77/22/18/640772218.db2.gz QRNVXZSOIUQQGA-UHFFFAOYSA-N 0 0 296.754 3.330 20 10 CGCDRN CCC[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115282305 641017462 /nfs/dbraw/zinc/01/74/62/641017462.db2.gz FWXZYHKTBNLOAY-LBPRGKRZSA-N 0 0 262.397 3.113 20 10 CGCDRN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000278556794 641032499 /nfs/dbraw/zinc/03/24/99/641032499.db2.gz FCZQRVHCBBCRMC-CHWSQXEVSA-N 0 0 269.772 3.093 20 10 CGCDRN CC(C)(NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC001155399094 805577679 /nfs/dbraw/zinc/57/76/79/805577679.db2.gz HQPMASGBEOHQQP-UHFFFAOYSA-N 0 0 297.326 3.397 20 10 CGCDRN Cc1ccc2[nH]c(-c3ccc(O)c(O)c3)nc2c1F ZINC001250464533 805632755 /nfs/dbraw/zinc/63/27/55/805632755.db2.gz ARIMMIFEXALWOT-UHFFFAOYSA-N 0 0 258.252 3.089 20 10 CGCDRN CCn1c2cc(OC)ccc2nc1-c1ccc(O)c(O)c1 ZINC001250464716 805632794 /nfs/dbraw/zinc/63/27/94/805632794.db2.gz JWNTVCMVWNRTNS-UHFFFAOYSA-N 0 0 284.315 3.143 20 10 CGCDRN CCOc1cccc2[nH]c(-c3ccc(O)c(O)c3)nc21 ZINC001250465182 805633858 /nfs/dbraw/zinc/63/38/58/805633858.db2.gz ZQRCPGVVRZHLLC-UHFFFAOYSA-N 0 0 270.288 3.040 20 10 CGCDRN CN(C)c1ccc(-c2nc3cccc(F)c3n2C)cc1 ZINC001250468821 805636212 /nfs/dbraw/zinc/63/62/12/805636212.db2.gz KZOFUVZDPNRSAU-UHFFFAOYSA-N 0 0 269.323 3.445 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2c(O)cccc2F)s1 ZINC001156170362 805661572 /nfs/dbraw/zinc/66/15/72/805661572.db2.gz MACDIIUSRMVHGY-UHFFFAOYSA-N 0 0 279.336 3.140 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CC(=O)NCc1c(O)cccc1F ZINC001156170131 805662034 /nfs/dbraw/zinc/66/20/34/805662034.db2.gz HMCNTCPITQGDES-VXGBXAGGSA-N 0 0 279.355 3.364 20 10 CGCDRN Cc1cc2cc(C(=O)NCc3ccccc3O)ccc2[nH]1 ZINC001156542729 805712894 /nfs/dbraw/zinc/71/28/94/805712894.db2.gz IFIBMCSMPHGEFK-UHFFFAOYSA-N 0 0 280.327 3.112 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cc(Cl)ccn2)cc1 ZINC001156920875 805753132 /nfs/dbraw/zinc/75/31/32/805753132.db2.gz INCMNQBXYYLFSB-UHFFFAOYSA-N 0 0 275.783 3.437 20 10 CGCDRN CN(C)c1ccc(CN(C)c2nccc3ncsc32)cc1 ZINC001156920670 805753493 /nfs/dbraw/zinc/75/34/93/805753493.db2.gz HFKHNGVJVVJFDP-UHFFFAOYSA-N 0 0 298.415 3.394 20 10 CGCDRN Cc1cnccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041310 805768684 /nfs/dbraw/zinc/76/86/84/805768684.db2.gz CUQMTVKMHYHOQD-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN Nc1nc2ccc(Nc3ccc4c(c3)OCCN4)cc2s1 ZINC001159820275 806178969 /nfs/dbraw/zinc/17/89/69/806178969.db2.gz BNBABVWRTOGVCR-UHFFFAOYSA-N 0 0 298.371 3.426 20 10 CGCDRN CCCOc1ccccc1NC[C@H](O)COC(C)(C)C ZINC001253468620 806223768 /nfs/dbraw/zinc/22/37/68/806223768.db2.gz VSLMXNFYXAUHMV-ZDUSSCGKSA-N 0 0 281.396 3.063 20 10 CGCDRN Cc1cccc(CNc2cc([N+](=O)[O-])cc(Cl)n2)c1O ZINC001160764118 806300738 /nfs/dbraw/zinc/30/07/38/806300738.db2.gz CASNISSDXFDOHV-UHFFFAOYSA-N 0 0 293.710 3.269 20 10 CGCDRN Cc1cc(C)c(CNc2ncnc3cnc(F)cc32)c(O)c1 ZINC001160808075 806304903 /nfs/dbraw/zinc/30/49/03/806304903.db2.gz IOZLBMHFTOAKMP-UHFFFAOYSA-N 0 0 298.321 3.098 20 10 CGCDRN CCc1cc(NCc2c(C)cc(C)cc2O)nc(C)n1 ZINC001160810531 806305689 /nfs/dbraw/zinc/30/56/89/806305689.db2.gz RYWFAXOLHZPDAU-UHFFFAOYSA-N 0 0 271.364 3.282 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(C3CC3)cn2)c(O)c1 ZINC001160809913 806305837 /nfs/dbraw/zinc/30/58/37/806305837.db2.gz DCEDHOBIDAOTGK-UHFFFAOYSA-N 0 0 269.348 3.289 20 10 CGCDRN COc1cnnc(Cl)c1NCc1c(C)cc(C)cc1O ZINC001160810900 806306104 /nfs/dbraw/zinc/30/61/04/806306104.db2.gz VSLLUKXJEVZTRG-UHFFFAOYSA-N 0 0 293.754 3.073 20 10 CGCDRN Nc1ccc(CCn2cc(-c3ccccc3Cl)nn2)cc1 ZINC001254081176 806339384 /nfs/dbraw/zinc/33/93/84/806339384.db2.gz OEFLJPVKYHPBKR-UHFFFAOYSA-N 0 0 298.777 3.423 20 10 CGCDRN CCc1cc(NCc2ccc(N(C)C)cc2)nc(CC)n1 ZINC001162010260 806499601 /nfs/dbraw/zinc/49/96/01/806499601.db2.gz NKBUUZOJIWJREF-UHFFFAOYSA-N 0 0 284.407 3.280 20 10 CGCDRN Nc1ccc(CNc2cnc(-c3ccccc3)cn2)cc1 ZINC001162786907 806665684 /nfs/dbraw/zinc/66/56/84/806665684.db2.gz CBCDTSWFTWTWLN-UHFFFAOYSA-N 0 0 276.343 3.338 20 10 CGCDRN Cc1csc2cnc(NCc3ccc(N)cc3)nc12 ZINC001162787283 806665792 /nfs/dbraw/zinc/66/57/92/806665792.db2.gz IFXJUCHSLFUKSJ-UHFFFAOYSA-N 0 0 270.361 3.194 20 10 CGCDRN CNc1ccccc1NCc1cnc2cc(C)ccn12 ZINC001162824767 806671956 /nfs/dbraw/zinc/67/19/56/806671956.db2.gz HODXMXJKQPGWDC-UHFFFAOYSA-N 0 0 266.348 3.297 20 10 CGCDRN CCCc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000037287344 798864855 /nfs/dbraw/zinc/86/48/55/798864855.db2.gz UCAUMNRFRPEZGP-UHFFFAOYSA-N 0 0 268.360 3.403 20 10 CGCDRN CN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(N)cc1 ZINC000037800058 798874636 /nfs/dbraw/zinc/87/46/36/798874636.db2.gz IVNQCOHKQFSOFO-UHFFFAOYSA-N 0 0 294.807 3.185 20 10 CGCDRN Nc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC000050226137 798894736 /nfs/dbraw/zinc/89/47/36/798894736.db2.gz YVIYYWFILKXTHG-MRXNPFEDSA-N 0 0 266.344 3.327 20 10 CGCDRN CC(C)C[N@H+](CCN(C)C)Cc1cccc(Cl)c1[O-] ZINC000160204532 799075582 /nfs/dbraw/zinc/07/55/82/799075582.db2.gz LZALYYOODPIQPU-UHFFFAOYSA-N 0 0 284.831 3.065 20 10 CGCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CC2CCC1CC2 ZINC000381778322 799387701 /nfs/dbraw/zinc/38/77/01/799387701.db2.gz ZDEWXKVIVADIFR-JDDSVCBVSA-N 0 0 286.419 3.142 20 10 CGCDRN CCc1csc(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000383307693 799401242 /nfs/dbraw/zinc/40/12/42/799401242.db2.gz ZBZYEDLCAHNJPJ-UHFFFAOYSA-N 0 0 295.385 3.092 20 10 CGCDRN COc1cc(Cl)cc(CN[C@H](C)C(F)(F)F)c1O ZINC000389470266 799461857 /nfs/dbraw/zinc/46/18/57/799461857.db2.gz NVAVYPJJZVSLPC-ZCFIWIBFSA-N 0 0 283.677 3.095 20 10 CGCDRN C[C@@H](CCC(C)(C)C)NC(=O)c1cccc(O)c1O ZINC000395366888 799505111 /nfs/dbraw/zinc/50/51/11/799505111.db2.gz NJUYWINRYVCUSN-JTQLQIEISA-N 0 0 265.353 3.042 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CS1 ZINC000397897086 799523527 /nfs/dbraw/zinc/52/35/27/799523527.db2.gz ROLIAEZVEZQSKX-RKDXNWHRSA-N 0 0 257.786 3.029 20 10 CGCDRN C[C@H](N[C@H]1CCCC1(F)F)c1ccc(F)cc1O ZINC000398189918 799528452 /nfs/dbraw/zinc/52/84/52/799528452.db2.gz MFDRBXRHJJHOIR-UFBFGSQYSA-N 0 0 259.271 3.370 20 10 CGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 ZINC000588406622 799689369 /nfs/dbraw/zinc/68/93/69/799689369.db2.gz RGZJZEYQXOQQHQ-CUZBXDDWSA-N 0 0 289.375 3.196 20 10 CGCDRN CCC1(CC)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000690413673 799775592 /nfs/dbraw/zinc/77/55/92/799775592.db2.gz KXUDWOOJDIAGGO-UHFFFAOYSA-N 0 0 277.364 3.140 20 10 CGCDRN Nc1ccc(NC(=O)NCC2CCC3(CC3)CC2)cc1 ZINC000695658981 799831440 /nfs/dbraw/zinc/83/14/40/799831440.db2.gz LWMACDAFZWYTFD-UHFFFAOYSA-N 0 0 273.380 3.361 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H](C)C2)c1[O-] ZINC000703271376 799922151 /nfs/dbraw/zinc/92/21/51/799922151.db2.gz CNAQBLNHZUNBQI-NSHDSACASA-N 0 0 279.355 3.356 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000708486978 799990146 /nfs/dbraw/zinc/99/01/46/799990146.db2.gz UKKLLKPGNIAEOG-SSDOTTSWSA-N 0 0 283.240 3.349 20 10 CGCDRN Cc1nc(NCc2ccc(N)cc2)cc(C(C)C)n1 ZINC000709812141 800018344 /nfs/dbraw/zinc/01/83/44/800018344.db2.gz WCALBUIGRQRPBO-UHFFFAOYSA-N 0 0 256.353 3.103 20 10 CGCDRN CNc1ccccc1NCCc1cccc(OC)c1OC ZINC001163693214 806800496 /nfs/dbraw/zinc/80/04/96/806800496.db2.gz KFNLYZCMQBJVHG-UHFFFAOYSA-N 0 0 286.375 3.400 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715701656 800145081 /nfs/dbraw/zinc/14/50/81/800145081.db2.gz GGZDQVYIVVYXSM-MRVPVSSYSA-N 0 0 288.160 3.136 20 10 CGCDRN CNc1ccccc1NCCc1cc(OC)cc(OC)c1 ZINC001163723278 806807753 /nfs/dbraw/zinc/80/77/53/806807753.db2.gz NLDHHTNJOYGOKZ-UHFFFAOYSA-N 0 0 286.375 3.400 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716041367 800162091 /nfs/dbraw/zinc/16/20/91/800162091.db2.gz XPRCZZCAAQMLDW-MVCUKOFQSA-N 0 0 299.386 3.434 20 10 CGCDRN CC(C)c1ccccc1N(C)C(=O)/C=C\c1cnn(C)c1 ZINC000809389758 800434133 /nfs/dbraw/zinc/43/41/33/800434133.db2.gz PXWNDQPRCHWHFS-KTKRTIGZSA-N 0 0 283.375 3.220 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC001118177424 802534237 /nfs/dbraw/zinc/53/42/37/802534237.db2.gz RAOBCASOJQOZBC-DRZSPHRISA-N 0 0 295.354 3.110 20 10 CGCDRN COc1ccc(C(N)=O)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201499476 811867981 /nfs/dbraw/zinc/86/79/81/811867981.db2.gz OVQPGLZUMXVUQB-UHFFFAOYSA-N 0 0 299.374 3.358 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCC(F)F ZINC001124549529 803028969 /nfs/dbraw/zinc/02/89/69/803028969.db2.gz LUDLEQFMDKWEKN-UHFFFAOYSA-N 0 0 296.361 3.291 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1 ZINC001125628200 803069850 /nfs/dbraw/zinc/06/98/50/803069850.db2.gz HJCWCZUAWBMLRT-DHZHZOJOSA-N 0 0 266.344 3.375 20 10 CGCDRN CCOc1ncc(-c2ccn(CC3CC3)c(=O)c2)cc1C ZINC001244682776 803492591 /nfs/dbraw/zinc/49/25/91/803492591.db2.gz GLIKVSVYEJGTSO-UHFFFAOYSA-N 0 0 284.359 3.027 20 10 CGCDRN Cc1cc(Cl)ncc1-c1ccn(CC2CC2)c(=O)c1 ZINC001244917093 803576499 /nfs/dbraw/zinc/57/64/99/803576499.db2.gz UHYHHPXUSNHNIW-UHFFFAOYSA-N 0 0 274.751 3.282 20 10 CGCDRN Cn1ccc(-c2ccc(-c3nccc4c3ccn4C)cn2)n1 ZINC001245198747 803661766 /nfs/dbraw/zinc/66/17/66/803661766.db2.gz DFKHETIECBLTOI-UHFFFAOYSA-N 0 0 289.342 3.036 20 10 CGCDRN CCOC(=O)[C@H](C)n1cc(-c2ccc3ccn(C)c3c2)cn1 ZINC001245330139 803701562 /nfs/dbraw/zinc/70/15/62/803701562.db2.gz MGSKPLHJUPFDIQ-LBPRGKRZSA-N 0 0 297.358 3.166 20 10 CGCDRN C[N@@H+](Cc1c([O-])cccc1F)CC1CC(F)(F)C1 ZINC001137838586 803780591 /nfs/dbraw/zinc/78/05/91/803780591.db2.gz DLRWLTPBCDJSFK-UHFFFAOYSA-N 0 0 259.271 3.008 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001138122664 803860998 /nfs/dbraw/zinc/86/09/98/803860998.db2.gz SPVXHYWAOXMNHV-LLVKDONJSA-N 0 0 277.261 3.101 20 10 CGCDRN O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138131010 803865591 /nfs/dbraw/zinc/86/55/91/803865591.db2.gz NGTGQQURKQBKNK-OAHLLOKOSA-N 0 0 299.345 3.236 20 10 CGCDRN Cc1c(CN2CC3(C2)CCCCO3)c2ccccc2n1C ZINC001138253928 803881884 /nfs/dbraw/zinc/88/18/84/803881884.db2.gz KYGRBSAZRZXMQP-UHFFFAOYSA-N 0 0 284.403 3.242 20 10 CGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC2(CC2)CC1 ZINC001139125137 804134086 /nfs/dbraw/zinc/13/40/86/804134086.db2.gz NGCJFLBLYDCIRW-UHFFFAOYSA-N 0 0 299.370 3.183 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC(F)(F)CC1 ZINC001139684391 804253084 /nfs/dbraw/zinc/25/30/84/804253084.db2.gz IJGRAPBNSPKBDB-UHFFFAOYSA-N 0 0 277.261 3.292 20 10 CGCDRN FC(F)(F)c1cccc(-c2noc(-c3csnn3)n2)c1 ZINC001212362449 815010579 /nfs/dbraw/zinc/01/05/79/815010579.db2.gz UUEJECIVVFZEDZ-UHFFFAOYSA-N 0 0 298.249 3.274 20 10 CGCDRN Cc1ccc(Cl)cc1-c1noc(-c2csnn2)n1 ZINC001212361725 815010807 /nfs/dbraw/zinc/01/08/07/815010807.db2.gz CLSHJMBFHOCQNF-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN CN(Cc1cscn1)Cc1ccc(Cl)cc1O ZINC001140466086 804443387 /nfs/dbraw/zinc/44/33/87/804443387.db2.gz WQRJPOMKVRKLCQ-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)no1 ZINC001256940581 807014040 /nfs/dbraw/zinc/01/40/40/807014040.db2.gz HHXIJRYPXKVUDH-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN CCC[N@H+](CCOC)Cc1ccc(N(C)C)cc1Cl ZINC001140921704 804549361 /nfs/dbraw/zinc/54/93/61/804549361.db2.gz NPVUPANLTXXSRX-UHFFFAOYSA-N 0 0 284.831 3.264 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC001140922003 804549376 /nfs/dbraw/zinc/54/93/76/804549376.db2.gz ZNIAOJLCNHMHGW-MRXNPFEDSA-N 0 0 296.842 3.143 20 10 CGCDRN CCC[N@@H+](Cc1c(O)cc(OC)cc1OC)CC(C)C ZINC001141030822 804574721 /nfs/dbraw/zinc/57/47/21/804574721.db2.gz MLVMDERDTBFOJN-UHFFFAOYSA-N 0 0 281.396 3.277 20 10 CGCDRN COc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c(OC)c1 ZINC001141032920 804575269 /nfs/dbraw/zinc/57/52/69/804575269.db2.gz SNUCWSNSLXTLRK-JOCQHMNTSA-N 0 0 293.407 3.420 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CCCC3(CCC3)C2)c(OC)c1 ZINC001141030784 804575338 /nfs/dbraw/zinc/57/53/38/804575338.db2.gz KXIGAPHYZANZKN-UHFFFAOYSA-N 0 0 291.391 3.176 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2c(F)cccc2F)nc1 ZINC001247097979 804662717 /nfs/dbraw/zinc/66/27/17/804662717.db2.gz KZPXFBJUCNWYGX-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CCc1ccc(NC(=S)NCc2cc(F)ccn2)cc1 ZINC001247353608 804698811 /nfs/dbraw/zinc/69/88/11/804698811.db2.gz CDLRAIKLYSATCZ-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001142520399 804730532 /nfs/dbraw/zinc/73/05/32/804730532.db2.gz IBQHLMKDFLBPEI-SECBINFHSA-N 0 0 295.251 3.445 20 10 CGCDRN CC(C)OC1CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112514 804802803 /nfs/dbraw/zinc/80/28/03/804802803.db2.gz UUQQINGPBROBPV-UHFFFAOYSA-N 0 0 277.408 3.299 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1C[C@@H]1F ZINC001143446051 804852912 /nfs/dbraw/zinc/85/29/12/804852912.db2.gz AVFKNYFYOCTXFT-ITDIGPHOSA-N 0 0 291.366 3.107 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(F)cc(F)c1O ZINC001212491075 815040277 /nfs/dbraw/zinc/04/02/77/815040277.db2.gz HAVNGTUHMZUNQH-UHFFFAOYSA-N 0 0 250.248 3.021 20 10 CGCDRN COCc1cccc(-c2noc(Cc3ccc(N)cc3)n2)c1 ZINC001248182979 804891972 /nfs/dbraw/zinc/89/19/72/804891972.db2.gz BBSVQEYRLVBGLD-UHFFFAOYSA-N 0 0 295.342 3.056 20 10 CGCDRN Cc1cccc(O)c1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001152167876 805338267 /nfs/dbraw/zinc/33/82/67/805338267.db2.gz KDWCHQWOISYGPY-UHFFFAOYSA-N 0 0 298.302 3.115 20 10 CGCDRN C[C@H](C(=O)NCc1cc(O)ccc1O)[C@H](C)C(C)(C)C ZINC001153888203 805419115 /nfs/dbraw/zinc/41/91/15/805419115.db2.gz ANAUJHRJURLVOV-QWRGUYRKSA-N 0 0 279.380 3.032 20 10 CGCDRN CCOc1ccc(N(CC)Cc2ccccc2O)nc1 ZINC001154889695 805505854 /nfs/dbraw/zinc/50/58/54/805505854.db2.gz FIGXDOBFMDZEBL-UHFFFAOYSA-N 0 0 272.348 3.212 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(COCC4CC4)o3)cc2)c1 ZINC001256966137 807018219 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/nfs/dbraw/zinc/01/36/97/808013697.db2.gz SQGCWRLZGGBTQU-UHFFFAOYSA-N 0 0 290.407 3.464 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1c[nH]cc2ncnc1-2 ZINC001171405221 808048153 /nfs/dbraw/zinc/04/81/53/808048153.db2.gz SDHMXRFTMBXLIW-UHFFFAOYSA-N 0 0 290.326 3.429 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC001264286846 808055266 /nfs/dbraw/zinc/05/52/66/808055266.db2.gz AEMNAQSZQODNLD-MSOLQXFVSA-N 0 0 298.430 3.291 20 10 CGCDRN Cc1nc2c(cccc2C(=O)N[C@H](C)c2ccccc2O)o1 ZINC001171723245 808125388 /nfs/dbraw/zinc/12/53/88/808125388.db2.gz PRAWLXXEEVPGCM-SNVBAGLBSA-N 0 0 296.326 3.333 20 10 CGCDRN Cc1ccccc1CC(=O)N[C@H](C)c1ccccc1O ZINC001171717184 808125513 /nfs/dbraw/zinc/12/55/13/808125513.db2.gz MFTMSWMHPKIKMI-CYBMUJFWSA-N 0 0 269.344 3.121 20 10 CGCDRN COCOc1cccc(N(C)c2ccc(N)cc2)c1 ZINC001212901940 815181409 /nfs/dbraw/zinc/18/14/09/815181409.db2.gz KSCGXYAPSHBGJO-UHFFFAOYSA-N 0 0 258.321 3.019 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCOc2ccc(F)cc21 ZINC001265917958 808192844 /nfs/dbraw/zinc/19/28/44/808192844.db2.gz JEQPQFSLQWMYPF-FMIVXFBMSA-N 0 0 298.317 3.050 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2ccc(F)cc21 ZINC001265917959 808193101 /nfs/dbraw/zinc/19/31/01/808193101.db2.gz JEQPQFSLQWMYPF-XFXZXTDPSA-N 0 0 298.317 3.050 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)[C@H](C)CCC(=O)OC(C)C ZINC001172773743 808436940 /nfs/dbraw/zinc/43/69/40/808436940.db2.gz QWZBYEOCEVNKBY-CQSZACIVSA-N 0 0 293.407 3.334 20 10 CGCDRN CC(C)S(=O)(=O)c1ccc(Nc2ccc(N)cc2)cc1 ZINC001174270991 808917481 /nfs/dbraw/zinc/91/74/81/808917481.db2.gz WMHLXKRRYAWGRK-UHFFFAOYSA-N 0 0 290.388 3.195 20 10 CGCDRN COc1ccc(N(c2cnn(C)c2)c2ccc(N)cc2)cc1 ZINC001174329906 808954509 /nfs/dbraw/zinc/95/45/09/808954509.db2.gz NMUAFGZVJGULRG-UHFFFAOYSA-N 0 0 294.358 3.481 20 10 CGCDRN CN1CC2(C1)CCC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078706 808987096 /nfs/dbraw/zinc/98/70/96/808987096.db2.gz VFCRGRUPBGRYHA-UHFFFAOYSA-N 0 0 296.414 3.073 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc(C(F)F)cc2)cc1 ZINC001174712387 809139716 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ZINC001231881603 818199907 /nfs/dbraw/zinc/19/99/07/818199907.db2.gz YCIGYSDLAFFKBN-KRWDZBQOSA-N 0 0 296.414 3.216 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)[C@@H]1CO ZINC001231879994 818200483 /nfs/dbraw/zinc/20/04/83/818200483.db2.gz ZWDPZTFIICVLIS-CXAGYDPISA-N 0 0 285.387 3.138 20 10 CGCDRN O=C1CCN(Cc2cccc(Cl)c2[O-])[C@H]2CCCC[C@@H]12 ZINC001231909838 818209281 /nfs/dbraw/zinc/20/92/81/818209281.db2.gz RHQMSTNVXUFKFF-OCCSQVGLSA-N 0 0 293.794 3.379 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C2(CC2)C1 ZINC001231912935 818212271 /nfs/dbraw/zinc/21/22/71/818212271.db2.gz DXUROVUKDGQPTJ-JTQLQIEISA-N 0 0 251.757 3.420 20 10 CGCDRN [O-]c1c(C[NH+]2CCC3(CCC3)CC2)ccc(F)c1F ZINC001233076767 818516521 /nfs/dbraw/zinc/51/65/21/818516521.db2.gz UZDDORDKEOMBFT-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN COc1cc(Cl)cc(CN2CCc3occc3C2)c1O ZINC001233290743 818570305 /nfs/dbraw/zinc/57/03/05/818570305.db2.gz TYVSHFPPXGHJQL-UHFFFAOYSA-N 0 0 293.750 3.206 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001233334600 818586182 /nfs/dbraw/zinc/58/61/82/818586182.db2.gz NASOLOFPJDSWNW-QMMMGPOBSA-N 0 0 295.251 3.445 20 10 CGCDRN COC[C@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415815 818613158 /nfs/dbraw/zinc/61/31/58/818613158.db2.gz JDVDHPQYDZSVGM-LLVKDONJSA-N 0 0 289.297 3.022 20 10 CGCDRN C[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415655 818613475 /nfs/dbraw/zinc/61/34/75/818613475.db2.gz DKRFOINRISLMBB-SECBINFHSA-N 0 0 259.271 3.395 20 10 CGCDRN Oc1c(CN2CCC(F)(F)C2)cccc1C(F)(F)F ZINC001233415980 818614860 /nfs/dbraw/zinc/61/48/60/818614860.db2.gz QRZJFPSQMJUZLS-UHFFFAOYSA-N 0 0 281.224 3.252 20 10 CGCDRN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cccc1C(F)(F)F ZINC001233419103 818615075 /nfs/dbraw/zinc/61/50/75/818615075.db2.gz JIYPYKQBJZVHCR-NHCYSSNCSA-N 0 0 289.272 3.343 20 10 CGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)C(F)(F)F ZINC001233496159 818627508 /nfs/dbraw/zinc/62/75/08/818627508.db2.gz QWUIDEABYUNUGE-ZETCQYMHSA-N 0 0 292.253 3.410 20 10 CGCDRN CCN1CCc2cc(O[C@H]3C[C@H]4C=C[C@@H]3C4)ccc21 ZINC001233601355 818656198 /nfs/dbraw/zinc/65/61/98/818656198.db2.gz INGOFCWCSPBFLO-QEORTHHSSA-N 0 0 255.361 3.412 20 10 CGCDRN CCCCOC(=O)[C@H](C)Oc1ccc2c(c1)CCN2CC ZINC001233601608 818656233 /nfs/dbraw/zinc/65/62/33/818656233.db2.gz LIDOUQOAQSWSNS-ZDUSSCGKSA-N 0 0 291.391 3.180 20 10 CGCDRN O=C1CCN(Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234993277 818969159 /nfs/dbraw/zinc/96/91/59/818969159.db2.gz YBIFOEMUJQVAFN-UHFFFAOYSA-N 0 0 281.355 3.224 20 10 CGCDRN Cc1ncc2n1CCN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235681096 819139992 /nfs/dbraw/zinc/13/99/92/819139992.db2.gz FBWJIZQUIGLSKD-UHFFFAOYSA-N 0 0 299.418 3.210 20 10 CGCDRN Oc1ccc(OCc2ccccc2)cc1CN1CCCCO1 ZINC001236779766 819592984 /nfs/dbraw/zinc/59/29/84/819592984.db2.gz WOWWZALKZYAMMR-UHFFFAOYSA-N 0 0 299.370 3.499 20 10 CGCDRN COc1cc(O)c(CN(C)Cc2ccncc2)c(Cl)c1 ZINC001236799666 819599296 /nfs/dbraw/zinc/59/92/96/819599296.db2.gz 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/nfs/dbraw/zinc/75/40/90/821754090.db2.gz GODJJAJVOHYEIR-UHFFFAOYSA-N 0 0 293.370 3.471 20 10 CGCDRN c1cn2ccnc(C3=CCN(c4ccccc4)CC3)c2n1 ZINC001241355328 821757259 /nfs/dbraw/zinc/75/72/59/821757259.db2.gz LJFYVUYENCUSML-UHFFFAOYSA-N 0 0 276.343 3.023 20 10 CGCDRN Fc1cc(C2=CCN(c3ccccc3)CC2)c2ncnn2c1 ZINC001241360810 821761426 /nfs/dbraw/zinc/76/14/26/821761426.db2.gz YLSFIQJPOSRYHO-UHFFFAOYSA-N 0 0 294.333 3.162 20 10 CGCDRN Cc1c(-c2cccc3c2ccn3C)ccc2ncnn21 ZINC001241821894 822162688 /nfs/dbraw/zinc/16/26/88/822162688.db2.gz OIIVYWAXWQWRDA-UHFFFAOYSA-N 0 0 262.316 3.196 20 10 CGCDRN COc1ccc(-c2cccc3c2ccn3C)c(N)c1 ZINC001241824171 822164784 /nfs/dbraw/zinc/16/47/84/822164784.db2.gz LXBVPWSJWVOWBV-UHFFFAOYSA-N 0 0 252.317 3.436 20 10 CGCDRN CN(c1ccccc1)c1cc(-c2cnn(C3CC3)c2)ncn1 ZINC001241905856 822206009 /nfs/dbraw/zinc/20/60/09/822206009.db2.gz KZZBNRAMJCFNJS-UHFFFAOYSA-N 0 0 291.358 3.443 20 10 CGCDRN Cn1ccc2c1nccc2-c1ccc(OCC2CC2)nc1 ZINC001242215416 822913556 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/nfs/dbraw/zinc/63/58/99/937635899.db2.gz FKDBECIXNLZWND-QMMMGPOBSA-N 0 0 263.715 3.427 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1Cc2ccccc21 ZINC001305084605 932862159 /nfs/dbraw/zinc/86/21/59/932862159.db2.gz LOUVRGSEHLPJPX-CYBMUJFWSA-N 0 0 287.746 3.002 20 10 CGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2cncc(F)c2)cc1 ZINC001462436060 937641415 /nfs/dbraw/zinc/64/14/15/937641415.db2.gz HUJKAOJEIZOYGF-FPYGCLRLSA-N 0 0 298.317 3.100 20 10 CGCDRN CCCOc1ccnc(N[C@H](C)c2ccccc2O)n1 ZINC001307188034 932926230 /nfs/dbraw/zinc/92/62/30/932926230.db2.gz ITVIPMJKJMPYLF-LLVKDONJSA-N 0 0 273.336 3.144 20 10 CGCDRN Cc1cc(O)c(CNc2cncc(N(C)C)c2)cc1Cl ZINC001462490251 937645075 /nfs/dbraw/zinc/64/50/75/937645075.db2.gz CJLYNKKVEIKKRR-UHFFFAOYSA-N 0 0 291.782 3.427 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462575420 937651233 /nfs/dbraw/zinc/65/12/33/937651233.db2.gz CGCLWELCIAGTNI-LSKIRQOJSA-N 0 0 267.319 3.052 20 10 CGCDRN CN(C)c1ccc(F)cc1CNc1ccc2c(c1)ncn2C ZINC001308314880 933094121 /nfs/dbraw/zinc/09/41/21/933094121.db2.gz UHSGKKOGZKWGTN-UHFFFAOYSA-N 0 0 298.365 3.391 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC001308758063 933171201 /nfs/dbraw/zinc/17/12/01/933171201.db2.gz LKHXABNLAQONMF-AWEZNQCLSA-N 0 0 291.782 3.496 20 10 CGCDRN C[C@@H]1CC(NC(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)C1 ZINC001312046520 933332048 /nfs/dbraw/zinc/33/20/48/933332048.db2.gz HVPZDTASFXDCEP-RYUDHWBXSA-N 0 0 288.391 3.242 20 10 CGCDRN CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001465004682 937697089 /nfs/dbraw/zinc/69/70/89/937697089.db2.gz GVFQNUUXPSFLCB-ZIAGYGMSSA-N 0 0 292.398 3.334 20 10 CGCDRN Cc1ccc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)c(O)c1O ZINC001465151465 937698532 /nfs/dbraw/zinc/69/85/32/937698532.db2.gz KRSXUJKDOMILHR-AAEUAGOBSA-N 0 0 291.391 3.352 20 10 CGCDRN Cc1cccc(O)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001467260414 937716570 /nfs/dbraw/zinc/71/65/70/937716570.db2.gz RKPXTBJREFUOAZ-CYBMUJFWSA-N 0 0 298.386 3.258 20 10 CGCDRN CC(C)CC[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC001467704246 937720885 /nfs/dbraw/zinc/72/08/85/937720885.db2.gz GPDFCBJXLFKNPQ-NSHDSACASA-N 0 0 282.359 3.155 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC001467969295 937723428 /nfs/dbraw/zinc/72/34/28/937723428.db2.gz VYTURYFQZUXIIF-CYBMUJFWSA-N 0 0 291.439 3.377 20 10 CGCDRN Cc1c(N[C@H]2C[C@@H](C)c3c2c(O)ccc3C)cnn1C ZINC001320252216 934021776 /nfs/dbraw/zinc/02/17/76/934021776.db2.gz BLKOCSDCRCOVON-PWSUYJOCSA-N 0 0 271.364 3.403 20 10 CGCDRN C/C(=C\c1ccc(C)cc1)C(=O)NCc1ccc(O)cc1O ZINC001469158541 937735760 /nfs/dbraw/zinc/73/57/60/937735760.db2.gz ATVWMJXHNPMFFM-UKTHLTGXSA-N 0 0 297.354 3.126 20 10 CGCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC001320697798 934090082 /nfs/dbraw/zinc/09/00/82/934090082.db2.gz CULPVHOXHOOBLO-ZDUSSCGKSA-N 0 0 263.381 3.269 20 10 CGCDRN O=C(/C=C/c1ccco1)Nc1c2nonc2ccc1Cl ZINC001320979095 934130457 /nfs/dbraw/zinc/13/04/57/934130457.db2.gz YLNNEPFGARELAD-ZZXKWVIFSA-N 0 0 289.678 3.121 20 10 CGCDRN Cc1coc(C)c1C(=O)NCc1cc(Cl)ccc1O ZINC001469876993 937744942 /nfs/dbraw/zinc/74/49/42/937744942.db2.gz KGPULZMTGCQRFK-UHFFFAOYSA-N 0 0 279.723 3.185 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2nc3ccccc3s2)c1 ZINC001470255212 937749993 /nfs/dbraw/zinc/74/99/93/937749993.db2.gz SYQTZICGOPZKGR-UHFFFAOYSA-N 0 0 298.367 3.240 20 10 CGCDRN CC(C)CC(CC(C)C)C(=O)NCc1cc(O)ccc1O ZINC001471661045 937768026 /nfs/dbraw/zinc/76/80/26/937768026.db2.gz FPIFLMRIVNBXQK-UHFFFAOYSA-N 0 0 293.407 3.422 20 10 CGCDRN O=C(NCc1c(O)cccc1O)[C@H](F)CC1CCCCC1 ZINC001472063481 937772031 /nfs/dbraw/zinc/77/20/31/937772031.db2.gz LJNOBNZFMSYAAR-CYBMUJFWSA-N 0 0 295.354 3.023 20 10 CGCDRN Cc1nc(C(=O)NCc2c(O)ccc3ccccc32)c(C)o1 ZINC001472084864 937772290 /nfs/dbraw/zinc/77/22/90/937772290.db2.gz FUXJAKFJQMZUEG-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN CC(C)[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC001472507403 937777149 /nfs/dbraw/zinc/77/71/49/937777149.db2.gz AEMSSIDOPZYOHI-QWRGUYRKSA-N 0 0 295.354 3.182 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccs1 ZINC001324856596 934867362 /nfs/dbraw/zinc/86/73/62/934867362.db2.gz CTZCCSRLSPGNJL-UHFFFAOYSA-N 0 0 279.708 3.190 20 10 CGCDRN CCc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1CC ZINC001325022243 934883458 /nfs/dbraw/zinc/88/34/58/934883458.db2.gz AWFQHLZWPHSIAO-UHFFFAOYSA-N 0 0 299.370 3.153 20 10 CGCDRN O=C(NCc1cccc(C(F)F)c1)C1=CC(=O)CS1 ZINC001328310091 935128989 /nfs/dbraw/zinc/12/89/89/935128989.db2.gz WQLKVRAZOQCKGI-UHFFFAOYSA-N 0 0 283.299 3.321 20 10 CGCDRN C[C@@H]1Cc2ccccc2CN1C(=O)C1=CC(=O)CS1 ZINC001328981744 935177503 /nfs/dbraw/zinc/17/75/03/935177503.db2.gz OBFLPBJVMWJVIF-SNVBAGLBSA-N 0 0 273.357 3.041 20 10 CGCDRN CC(C)(C)[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC001330282281 935282502 /nfs/dbraw/zinc/28/25/02/935282502.db2.gz ZFBRNESGTDVCOT-NSHDSACASA-N 0 0 253.367 3.104 20 10 CGCDRN CCC[C@H](OCC)C(=O)N(CCC)Cc1ccccc1O ZINC001331671878 935402047 /nfs/dbraw/zinc/40/20/47/935402047.db2.gz AMGXNWMXTDPDML-INIZCTEOSA-N 0 0 293.407 3.336 20 10 CGCDRN Cc1cc2c(cc1C)N(C(=O)NCc1ccc(N)cc1)CC2 ZINC001335737011 936156796 /nfs/dbraw/zinc/15/67/96/936156796.db2.gz JNRAZOFNBKAOCF-UHFFFAOYSA-N 0 0 295.386 3.158 20 10 CGCDRN Cc1cc(C)cc(CN(C)C(=O)NCc2ccc(N)cc2)c1 ZINC001335736537 936156824 /nfs/dbraw/zinc/15/68/24/936156824.db2.gz COOIYWGAPHAGTO-UHFFFAOYSA-N 0 0 297.402 3.227 20 10 CGCDRN CCC[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccccn1 ZINC001336225049 936181839 /nfs/dbraw/zinc/18/18/39/936181839.db2.gz IQZIAUIVCPFWLI-MRXNPFEDSA-N 0 0 298.390 3.004 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001337014610 936231614 /nfs/dbraw/zinc/23/16/14/936231614.db2.gz BENVRHCEEBBXDQ-OFQRWUPVSA-N 0 0 287.407 3.037 20 10 CGCDRN C[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC001473912877 937829562 /nfs/dbraw/zinc/82/95/62/937829562.db2.gz XXJQSWRUMNCBGF-SUNKGSAMSA-N 0 0 278.352 3.215 20 10 CGCDRN Cc1ccc(CNc2cccc([S@](C)=O)c2)c(O)c1 ZINC001474536582 937865355 /nfs/dbraw/zinc/86/53/55/937865355.db2.gz BZEDRYDQGOUXAL-IBGZPJMESA-N 0 0 275.373 3.050 20 10 CGCDRN CC[C@H](C)[C@@H](CN(C)c1ccc(OC)c(OC)c1)OC ZINC001474601768 937869951 /nfs/dbraw/zinc/86/99/51/937869951.db2.gz VHDIXNYIZSYILP-BLLLJJGKSA-N 0 0 281.396 3.201 20 10 CGCDRN Oc1cccc2c1CN(Cc1nccn1-c1ccccc1)C2 ZINC001474677455 937874386 /nfs/dbraw/zinc/87/43/86/937874386.db2.gz MURGLNMQWFXGBT-UHFFFAOYSA-N 0 0 291.354 3.094 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001477310635 937894602 /nfs/dbraw/zinc/89/46/02/937894602.db2.gz HPYHCNOLGXHNPH-MFKMUULPSA-N 0 0 296.798 3.424 20 10 CGCDRN CC1(C)CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001478452319 937906026 /nfs/dbraw/zinc/90/60/26/937906026.db2.gz LVYUJTQKWZXUBT-ZDUSSCGKSA-N 0 0 288.391 3.386 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1C=CCC1 ZINC001478936523 937913811 /nfs/dbraw/zinc/91/38/11/937913811.db2.gz BGMBGSYEFCRUEV-INIZCTEOSA-N 0 0 299.418 3.147 20 10 CGCDRN CCCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(CC)cc1 ZINC001533456442 938090510 /nfs/dbraw/zinc/09/05/10/938090510.db2.gz RCIMYKMWCLGULJ-DHZHZOJOSA-N 0 0 297.402 3.439 20 10 CGCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1cc(C)cc(C)c1 ZINC001534661434 938097105 /nfs/dbraw/zinc/09/71/05/938097105.db2.gz CNSPSGRDCQKDNA-SREVYHEPSA-N 0 0 283.375 3.103 20 10 CGCDRN CCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001540665484 938132843 /nfs/dbraw/zinc/13/28/43/938132843.db2.gz WPFXRYBVEZZQDJ-OAHLLOKOSA-N 0 0 299.370 3.298 20 10 CGCDRN Cc1ccc(C(=O)NCC(C)(C)CC(C)C)c(O)c1O ZINC001545264165 938149263 /nfs/dbraw/zinc/14/92/63/938149263.db2.gz IRTREFORVQAUQO-UHFFFAOYSA-N 0 0 279.380 3.208 20 10 CGCDRN CC1(C)CCC[C@@H](CC(=O)NCc2cccc(O)c2O)C1 ZINC001548791615 938152120 /nfs/dbraw/zinc/15/21/20/938152120.db2.gz KCLYGTZEYCERBY-LBPRGKRZSA-N 0 0 291.391 3.321 20 10 CGCDRN CC[C@@H](C)[C@H](C)Sc1ncc(C(=O)OC)s1 ZINC001559416539 938226390 /nfs/dbraw/zinc/22/63/90/938226390.db2.gz NNNYUAMCQZAIBC-SFYZADRCSA-N 0 0 259.396 3.456 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)CC2CCCCC2)c(O)c1O ZINC001556400727 938203516 /nfs/dbraw/zinc/20/35/16/938203516.db2.gz CHYQGOSPCJFDMA-GFCCVEGCSA-N 0 0 291.391 3.495 20 10 CGCDRN CN(C(=O)Cc1ccc(O)c(O)c1)C(C)(C)c1ccccc1 ZINC001557376487 938209641 /nfs/dbraw/zinc/20/96/41/938209641.db2.gz GEIBYGFDYCPQDI-UHFFFAOYSA-N 0 0 299.370 3.034 20 10 CGCDRN Cc1cc(C)nc(Sc2ncc(Cl)s2)n1 ZINC001559246898 938223446 /nfs/dbraw/zinc/22/34/46/938223446.db2.gz JOLVWWIVZDUHGH-UHFFFAOYSA-N 0 0 257.771 3.355 20 10 CGCDRN Oc1cccc2c1CN(c1nc3ccccc3o1)C2 ZINC001559262977 938224041 /nfs/dbraw/zinc/22/40/41/938224041.db2.gz KOUOZGZHOZDZDD-UHFFFAOYSA-N 0 0 252.273 3.054 20 10 CGCDRN CC[C@H](C)[C@@H](C)Sc1ncc(C(=O)OC)s1 ZINC001559416538 938226295 /nfs/dbraw/zinc/22/62/95/938226295.db2.gz NNNYUAMCQZAIBC-JGVFFNPUSA-N 0 0 259.396 3.456 20 10 CGCDRN Fc1cccc2c1N(Cc1cccc3c1OCO3)CC2 ZINC001560815007 938277438 /nfs/dbraw/zinc/27/74/38/938277438.db2.gz NZXBKXIQWMKSSI-UHFFFAOYSA-N 0 0 271.291 3.117 20 10 CGCDRN CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@H](CC)O1 ZINC001560894872 938282440 /nfs/dbraw/zinc/28/24/40/938282440.db2.gz XGVRRKLCDGHTDC-OKILXGFUSA-N 0 0 283.799 3.435 20 10 CGCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OCC(C)C)c(Cl)c1 ZINC001560975329 938287252 /nfs/dbraw/zinc/28/72/52/938287252.db2.gz WYCGEBGLBIORAM-NSHDSACASA-N 0 0 299.798 3.031 20 10 CGCDRN CC[C@@H](C)[C@@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001117548411 957838450 /nfs/dbraw/zinc/83/84/50/957838450.db2.gz RGCAYULOEZTNOE-HTQZYQBOSA-N 0 0 281.743 3.497 20 10 CGCDRN C[C@H]([C@H](C)C(=O)NCc1cccc(O)c1O)C(C)(C)C ZINC001593745194 960511105 /nfs/dbraw/zinc/51/11/05/960511105.db2.gz YTWOQSAPPJYAAN-WDEREUQCSA-N 0 0 279.380 3.032 20 10 CGCDRN Cc1cc2cc[nH]c2cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001567647826 961383291 /nfs/dbraw/zinc/38/32/91/961383291.db2.gz GUPBRAFFUMALBG-UHFFFAOYSA-N 0 0 296.326 3.069 20 10 CGCDRN CC(C)C[C@]1(C)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001569416392 961760792 /nfs/dbraw/zinc/76/07/92/961760792.db2.gz BFTASLOPQQQAGK-KRWDZBQOSA-N 0 0 291.391 3.068 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N)cc2)[C@@H]1C ZINC001576680062 962484395 /nfs/dbraw/zinc/48/43/95/962484395.db2.gz YCTGVKSUNLWXLD-NFAWXSAZSA-N 0 0 289.423 3.140 20 10 CGCDRN Cc1cc(F)c(COC(=O)Cc2ccc(N)cc2)cc1F ZINC001579608369 962643109 /nfs/dbraw/zinc/64/31/09/962643109.db2.gz ODUCNRQTCUJVMK-UHFFFAOYSA-N 0 0 291.297 3.141 20 10 CGCDRN Cc1cc(F)ccc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC001579616950 962649798 /nfs/dbraw/zinc/64/97/98/962649798.db2.gz IXELFHIXMDEXGP-LBPRGKRZSA-N 0 0 286.350 3.136 20 10 CGCDRN Nc1ccc(CCNc2nc3ccccc3nc2F)cc1 ZINC001580443459 962721199 /nfs/dbraw/zinc/72/11/99/962721199.db2.gz HCAYSIZEXJXVEE-UHFFFAOYSA-N 0 0 282.322 3.006 20 10 CGCDRN Nc1ccc(CCNC(=O)C/C=C\Cc2ccccc2)cc1 ZINC001580443427 962722206 /nfs/dbraw/zinc/72/22/06/962722206.db2.gz FBIPTZBTMILKCU-PLNGDYQASA-N 0 0 294.398 3.117 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H](C(F)F)C2CCCCC2)cc1 ZINC001580443115 962724385 /nfs/dbraw/zinc/72/43/85/962724385.db2.gz RJGFXBBLFWQQKM-OAHLLOKOSA-N 0 0 296.361 3.142 20 10 CGCDRN Nc1ccc(OC(=O)c2ccc(C(F)(F)F)c(O)c2)cc1 ZINC001580449744 962727939 /nfs/dbraw/zinc/72/79/39/962727939.db2.gz USFKGLVNHOJBTC-UHFFFAOYSA-N 0 0 297.232 3.212 20 10 CGCDRN Nc1ccc(NC(=O)Nc2ccc3oc(CO)cc3c2)cc1 ZINC001580449157 962728693 /nfs/dbraw/zinc/72/86/93/962728693.db2.gz DQIQOQJCIHWTGG-UHFFFAOYSA-N 0 0 297.314 3.151 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)[C@H]1CC2CCC1CC2 ZINC001583397659 962806743 /nfs/dbraw/zinc/80/67/43/962806743.db2.gz LANKFYFGGWWZPE-ZUYNKMSQSA-N 0 0 279.405 3.398 20 10 CGCDRN Cc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001587444499 963194119 /nfs/dbraw/zinc/19/41/19/963194119.db2.gz HEWYUSSHCCOYIR-GFCCVEGCSA-N 0 0 255.317 3.192 20 10 CGCDRN Cc1ccccc1CC(=O)N[C@@H](C)c1ccccc1O ZINC001587447207 963196143 /nfs/dbraw/zinc/19/61/43/963196143.db2.gz MFTMSWMHPKIKMI-ZDUSSCGKSA-N 0 0 269.344 3.121 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCc2ccccc21 ZINC000042116880 344977786 /nfs/dbraw/zinc/97/77/86/344977786.db2.gz NFZJUTFAAJIPNZ-KRWDZBQOSA-N 0 0 295.382 3.471 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2ccccc21 ZINC000045306135 345023782 /nfs/dbraw/zinc/02/37/82/345023782.db2.gz BICAXGLNNFXHBE-MRXNPFEDSA-N 0 0 296.370 3.221 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C=C1CCC1 ZINC000087204295 345754052 /nfs/dbraw/zinc/75/40/52/345754052.db2.gz UOZDPWDQJZTIEM-UHFFFAOYSA-N 0 0 272.392 3.211 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)F ZINC000729327326 571897655 /nfs/dbraw/zinc/89/76/55/571897655.db2.gz CKSKYYGDYNYGHF-UHFFFAOYSA-N 0 0 288.313 3.052 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCCc2cccc(F)c21 ZINC000493398461 283725849 /nfs/dbraw/zinc/72/58/49/283725849.db2.gz INQDUHSUJRYDCX-VOTSOKGWSA-N 0 0 288.347 3.275 20 10 CGCDRN COc1ccc(O)c(CNc2cc(C)ccc2OC)c1 ZINC000020088927 368799430 /nfs/dbraw/zinc/79/94/30/368799430.db2.gz WHOFLKMIDNSALL-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CCN(C(=O)/C=C\c1cncs1)c1ccccc1F ZINC000493011297 244074887 /nfs/dbraw/zinc/07/48/87/244074887.db2.gz ADAFTKROBDSFBY-FPLPWBNLSA-N 0 0 276.336 3.349 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C\c1cnccn1)CC[C@@H]2C ZINC000493590838 244193938 /nfs/dbraw/zinc/19/39/38/244193938.db2.gz PBKOCKKBHGHRKI-FWWRYZNZSA-N 0 0 293.370 3.339 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C\c2cncs2)c1 ZINC000493528137 244180840 /nfs/dbraw/zinc/18/08/40/244180840.db2.gz SQUOJAIIDPTHFB-SREVYHEPSA-N 0 0 258.346 3.128 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc(Cl)cn2)c1 ZINC000127708058 370956758 /nfs/dbraw/zinc/95/67/58/370956758.db2.gz KNJOESWLAINPFQ-ZZXKWVIFSA-N 0 0 287.750 3.115 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C1CCOCC1 ZINC000187761010 296150272 /nfs/dbraw/zinc/15/02/72/296150272.db2.gz WUHNHZJELWNIHR-ZJUUUORDSA-N 0 0 285.334 3.136 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1C(C)(C)C1(C)C ZINC000074824214 369887966 /nfs/dbraw/zinc/88/79/66/369887966.db2.gz ZIBOLUXQSIYWLH-UHFFFAOYSA-N 0 0 261.365 3.033 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000075308752 369902918 /nfs/dbraw/zinc/90/29/18/369902918.db2.gz LPWIWDJWTNQQTN-VXGBXAGGSA-N 0 0 264.369 3.016 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)CSC ZINC000113422542 370474683 /nfs/dbraw/zinc/47/46/83/370474683.db2.gz RPLFOTFNRUXZLE-LBPRGKRZSA-N 0 0 281.421 3.130 20 10 CGCDRN Cc1ccc(O)c(CN[C@@H](C2CC2)C(F)(F)F)c1 ZINC000288379855 371735589 /nfs/dbraw/zinc/73/55/89/371735589.db2.gz FZGRTPYHJDALEL-LBPRGKRZSA-N 0 0 259.271 3.131 20 10 CGCDRN Cc1ccnc(C)c1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000287635541 371687395 /nfs/dbraw/zinc/68/73/95/371687395.db2.gz VJFQUINSCXKZOX-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN Cn1cncc1CCSc1ncc(-c2ccccc2)n1C ZINC000287673253 371693488 /nfs/dbraw/zinc/69/34/88/371693488.db2.gz YFWBOINPXCOJFX-UHFFFAOYSA-N 0 0 298.415 3.155 20 10 CGCDRN FC(F)(F)[C@H](NCc1ccc2c(c1)CCO2)C1CC1 ZINC000288406760 371738050 /nfs/dbraw/zinc/73/80/50/371738050.db2.gz INLJECIFSCXAIA-CYBMUJFWSA-N 0 0 271.282 3.052 20 10 CGCDRN Cc1noc(C)c1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293590780 372420158 /nfs/dbraw/zinc/42/01/58/372420158.db2.gz KHNYLIWSHUENDX-UHFFFAOYSA-N 0 0 298.745 3.122 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000430944600 372408873 /nfs/dbraw/zinc/40/88/73/372408873.db2.gz MXQRZFOVFOBOOP-LSDHHAIUSA-N 0 0 297.402 3.084 20 10 CGCDRN COCC1(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000293851967 372501508 /nfs/dbraw/zinc/50/15/08/372501508.db2.gz YLICJRJBBRVGCG-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN CN(C(=O)CSc1ncc(C(C)(C)C)s1)C1CC1 ZINC000164053328 372504621 /nfs/dbraw/zinc/50/46/21/372504621.db2.gz FRTBLEXHDNBPFR-UHFFFAOYSA-N 0 0 284.450 3.154 20 10 CGCDRN CC(C)[C@]1(CO)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000294136401 372591691 /nfs/dbraw/zinc/59/16/91/372591691.db2.gz USYPTYWDMAXUMY-MRXNPFEDSA-N 0 0 297.826 3.276 20 10 CGCDRN C[C@@H](CCCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000295075804 372690477 /nfs/dbraw/zinc/69/04/77/372690477.db2.gz PRNBRXHWRDUAAE-VIFPVBQESA-N 0 0 292.206 3.340 20 10 CGCDRN C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000295143692 372695973 /nfs/dbraw/zinc/69/59/73/372695973.db2.gz ZYZFLMBDVOSPAE-MRVPVSSYSA-N 0 0 292.206 3.338 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)OC1CCCC1 ZINC000295170979 372696654 /nfs/dbraw/zinc/69/66/54/372696654.db2.gz GJJIDBWQYHJEPH-UHFFFAOYSA-N 0 0 288.391 3.456 20 10 CGCDRN CCC[N@H+](Cc1conc1C)Cc1ccccc1O ZINC000295276819 372724919 /nfs/dbraw/zinc/72/49/19/372724919.db2.gz ICBZOOPPTIJQGH-UHFFFAOYSA-N 0 0 260.337 3.101 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000171587020 372791112 /nfs/dbraw/zinc/79/11/12/372791112.db2.gz FXBNHOSQPXRDCE-UHFFFAOYSA-N 0 0 296.370 3.205 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCCCO)c(O)c1C ZINC000296575337 373182672 /nfs/dbraw/zinc/18/26/72/373182672.db2.gz TYOYLPNINVRDKX-JSGCOSHPSA-N 0 0 265.397 3.211 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1ccc(N3CCCC3)nc1)CC2 ZINC000297129034 373256926 /nfs/dbraw/zinc/25/69/26/373256926.db2.gz YVYJPDFPEAAOBZ-OAHLLOKOSA-N 0 0 295.386 3.487 20 10 CGCDRN Cc1ccc2nc(C[NH2+][C@@H]3CCc4cccc(O)c43)cn2c1 ZINC000297151374 373258894 /nfs/dbraw/zinc/25/88/94/373258894.db2.gz AWUPIYUQWHUIJW-OAHLLOKOSA-N 0 0 293.370 3.125 20 10 CGCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(N)cc1 ZINC000297166297 373259362 /nfs/dbraw/zinc/25/93/62/373259362.db2.gz KAFRHWUCLDTYMS-QGZVFWFLSA-N 0 0 298.386 3.051 20 10 CGCDRN CC(C)COc1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC000297358379 373267952 /nfs/dbraw/zinc/26/79/52/373267952.db2.gz ZUECMALZSXPHLU-UHFFFAOYSA-N 0 0 298.386 3.234 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccccn1 ZINC000298339123 373295005 /nfs/dbraw/zinc/29/50/05/373295005.db2.gz IVRPZISIMRPRBI-UHFFFAOYSA-N 0 0 297.402 3.198 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCC(F)(F)F ZINC000175866811 373531390 /nfs/dbraw/zinc/53/13/90/373531390.db2.gz DICFPMMOLDRRHA-UHFFFAOYSA-N 0 0 289.297 3.473 20 10 CGCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2cccs2)C1 ZINC000180002672 373952888 /nfs/dbraw/zinc/95/28/88/373952888.db2.gz NMUQLMZNAZGVHG-AWEZNQCLSA-N 0 0 293.363 3.166 20 10 CGCDRN COC(=O)c1ccc(C[N@H+](C)Cc2cccc(C)c2O)cc1 ZINC000179755311 373911483 /nfs/dbraw/zinc/91/14/83/373911483.db2.gz IDUCOXAUCBUSQO-UHFFFAOYSA-N 0 0 299.370 3.119 20 10 CGCDRN CN(Cc1cnn(C(C)(C)C)c1)c1ccc2c(c1)OCO2 ZINC000180761601 374042515 /nfs/dbraw/zinc/04/25/15/374042515.db2.gz BMZRTLQBLZZSQE-UHFFFAOYSA-N 0 0 287.363 3.003 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(CC(C)(C)C)o2)c1 ZINC000181778639 374169294 /nfs/dbraw/zinc/16/92/94/374169294.db2.gz VGULRZAIQYEOSZ-UHFFFAOYSA-N 0 0 275.352 3.284 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC(C)(C)C ZINC000183468701 374417784 /nfs/dbraw/zinc/41/77/84/374417784.db2.gz YMYQDQSERAVIMC-GFCCVEGCSA-N 0 0 293.407 3.361 20 10 CGCDRN Cc1cc(C)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183471614 374418757 /nfs/dbraw/zinc/41/87/57/374418757.db2.gz YFXQKAJPJAAAKT-CYBMUJFWSA-N 0 0 299.370 3.076 20 10 CGCDRN CCC1(C(=O)NCc2ccc(O)c(O)c2)CCCCC1 ZINC000184217046 374503969 /nfs/dbraw/zinc/50/39/69/374503969.db2.gz HVYUWIKQYNIPPY-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185119653 374591639 /nfs/dbraw/zinc/59/16/39/374591639.db2.gz KPLOXPUZYWHABV-RYUDHWBXSA-N 0 0 289.350 3.435 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000471237131 375003215 /nfs/dbraw/zinc/00/32/15/375003215.db2.gz TYZHQUFEEYBBJO-GJZGRUSLSA-N 0 0 282.387 3.149 20 10 CGCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)(C)C ZINC000475954661 375137130 /nfs/dbraw/zinc/13/71/30/375137130.db2.gz MNBLJYMDMLJVFM-GFCCVEGCSA-N 0 0 290.407 3.160 20 10 CGCDRN O=C(/C=C\c1cnccn1)N1CCCc2cc(Cl)ccc21 ZINC000492806467 375453582 /nfs/dbraw/zinc/45/35/82/375453582.db2.gz KWWYCSFZGYMUFZ-XQRVVYSFSA-N 0 0 299.761 3.123 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2cc(F)ccc21 ZINC000492857088 375455726 /nfs/dbraw/zinc/45/57/26/375455726.db2.gz JUVZGPSXOORQJJ-SNAWJCMRSA-N 0 0 288.347 3.193 20 10 CGCDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(O)c1O ZINC000193095171 375825803 /nfs/dbraw/zinc/82/58/03/375825803.db2.gz UCOBNDMWVYCGDX-AWEZNQCLSA-N 0 0 299.370 3.191 20 10 CGCDRN Cc1nc(CN(C)Cc2ccccc2O)sc1C ZINC000268649549 378085941 /nfs/dbraw/zinc/08/59/41/378085941.db2.gz JKEBZZDIKPINMM-UHFFFAOYSA-N 0 0 262.378 3.098 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCS2)cc1 ZINC000266537413 378022962 /nfs/dbraw/zinc/02/29/62/378022962.db2.gz KZBHKUDWNISGJR-HNNXBMFYSA-N 0 0 292.448 3.045 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1C ZINC000269258386 378201065 /nfs/dbraw/zinc/20/10/65/378201065.db2.gz YHIXEGPQNUMUPB-CQSZACIVSA-N 0 0 282.387 3.306 20 10 CGCDRN CC[C@@H](SC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000269459003 378224513 /nfs/dbraw/zinc/22/45/13/378224513.db2.gz FYUHORQCNDPTES-OAHLLOKOSA-N 0 0 294.464 3.243 20 10 CGCDRN CC(C)(C)c1cnc(Sc2ncc([N+](=O)[O-])cn2)s1 ZINC000273708998 378757174 /nfs/dbraw/zinc/75/71/74/378757174.db2.gz DYBVNYWRPMELMC-UHFFFAOYSA-N 0 0 296.377 3.290 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c(O)c1 ZINC000273386352 378744370 /nfs/dbraw/zinc/74/43/70/378744370.db2.gz CTGVANMEXDDZQU-RDJZCZTQSA-N 0 0 299.414 3.345 20 10 CGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(C)ccn2)c1 ZINC000273469416 378748231 /nfs/dbraw/zinc/74/82/31/378748231.db2.gz JJLSYOJKSPZAKU-LLVKDONJSA-N 0 0 286.331 3.055 20 10 CGCDRN Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000273607262 378755292 /nfs/dbraw/zinc/75/52/92/378755292.db2.gz UNSVGEIBSSBCQI-MRVPVSSYSA-N 0 0 280.368 3.455 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCO[C@H]1C1CC1 ZINC000373372167 379266945 /nfs/dbraw/zinc/26/69/45/379266945.db2.gz ZURJHXUSPNDFJA-HOTGVXAUSA-N 0 0 295.810 3.340 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)CF ZINC000350039532 379486033 /nfs/dbraw/zinc/48/60/33/379486033.db2.gz ILHDDOYHFVXYMS-UHFFFAOYSA-N 0 0 291.370 3.034 20 10 CGCDRN CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282146594 379861598 /nfs/dbraw/zinc/86/15/98/379861598.db2.gz ILGMIZHGBVKGLN-LLVKDONJSA-N 0 0 295.814 3.005 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccco1 ZINC000282550075 379943736 /nfs/dbraw/zinc/94/37/36/379943736.db2.gz SHPRBHINXXBBMJ-UHFFFAOYSA-N 0 0 273.332 3.428 20 10 CGCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1cccc(C)c1C ZINC000282567925 379946642 /nfs/dbraw/zinc/94/66/42/379946642.db2.gz ADWGEZOQJVUQHB-CMDGGOBGSA-N 0 0 269.348 3.093 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000286165555 380168665 /nfs/dbraw/zinc/16/86/65/380168665.db2.gz QBQZIUOASHKOAQ-QMTHXVAHSA-N 0 0 277.343 3.067 20 10 CGCDRN CCOC1CC(CN(C)c2ccc(OC)c(F)c2)C1 ZINC000286376148 380205177 /nfs/dbraw/zinc/20/51/77/380205177.db2.gz KDVLBHIFFDFSID-UHFFFAOYSA-N 0 0 267.344 3.086 20 10 CGCDRN CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286232697 380179803 /nfs/dbraw/zinc/17/98/03/380179803.db2.gz SWOMSLMOAXWRAG-HOCLYGCPSA-N 0 0 295.398 3.369 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000285522867 380150758 /nfs/dbraw/zinc/15/07/58/380150758.db2.gz BGMDPYPBMACWES-OCVGTWLNSA-N 0 0 293.382 3.386 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000286028043 380158654 /nfs/dbraw/zinc/15/86/54/380158654.db2.gz KBJWJJHGQXMDHN-TUKIKUTGSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000286078830 380159482 /nfs/dbraw/zinc/15/94/82/380159482.db2.gz LLHJSUNBTRVBCZ-TVQRCGJNSA-N 0 0 263.316 3.056 20 10 CGCDRN CCCCCC(C)(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122303509 392420708 /nfs/dbraw/zinc/42/07/08/392420708.db2.gz AZOKSGKMNHDBTG-UHFFFAOYSA-N 0 0 293.407 3.363 20 10 CGCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000174918910 392647559 /nfs/dbraw/zinc/64/75/59/392647559.db2.gz FQZWWPAMYCUPDW-GJZGRUSLSA-N 0 0 299.418 3.003 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000237917765 393036427 /nfs/dbraw/zinc/03/64/27/393036427.db2.gz SCGQUSUCJTYKAN-UHFFFAOYSA-N 0 0 295.386 3.050 20 10 CGCDRN CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276877429 285983353 /nfs/dbraw/zinc/98/33/53/285983353.db2.gz FRUQORQNNFWXPG-VIFPVBQESA-N 0 0 273.323 3.136 20 10 CGCDRN CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000295013463 286059193 /nfs/dbraw/zinc/05/91/93/286059193.db2.gz MITYPNIEIOMFHT-ZDUSSCGKSA-N 0 0 283.799 3.293 20 10 CGCDRN CC[C@@H]([NH2+]CC1(C)COC1)c1cccc(Cl)c1[O-] ZINC000287797465 286903065 /nfs/dbraw/zinc/90/30/65/286903065.db2.gz TWQHHSIYSDLLFW-GFCCVEGCSA-N 0 0 269.772 3.123 20 10 CGCDRN CCCC[C@H](CC)CC(=O)NCc1ccc(O)c(O)c1 ZINC000158925493 261174090 /nfs/dbraw/zinc/17/40/90/261174090.db2.gz ZBTCOWIQABXUPN-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN CCC[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000159087420 261178141 /nfs/dbraw/zinc/17/81/41/261178141.db2.gz QOYFPPDGAOQIES-HNNXBMFYSA-N 0 0 299.370 3.298 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000159110785 261178552 /nfs/dbraw/zinc/17/85/52/261178552.db2.gz SICVFDYMKGUFOL-ZIAGYGMSSA-N 0 0 282.387 3.120 20 10 CGCDRN C[C@@H](c1ccccn1)N1CCOc2cc(N(C)C)ccc21 ZINC000181135459 261886725 /nfs/dbraw/zinc/88/67/25/261886725.db2.gz MCOOIENQPDRTOI-ZDUSSCGKSA-N 0 0 283.375 3.108 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C(C)C ZINC000184320562 262016551 /nfs/dbraw/zinc/01/65/51/262016551.db2.gz YXQKEJRFBOWQBJ-GJZGRUSLSA-N 0 0 275.392 3.423 20 10 CGCDRN COCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184841032 262030921 /nfs/dbraw/zinc/03/09/21/262030921.db2.gz BHEAPGVMOUKKIO-MRVPVSSYSA-N 0 0 278.179 3.386 20 10 CGCDRN Cc1nc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])sc1C ZINC000185797399 262071737 /nfs/dbraw/zinc/07/17/37/262071737.db2.gz HSUVHUULMPPNMY-JTQLQIEISA-N 0 0 294.395 3.498 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccccc2)cn1 ZINC000492479275 262218063 /nfs/dbraw/zinc/21/80/63/262218063.db2.gz YJUHCSPLPIUNDC-KHPPLWFESA-N 0 0 252.317 3.066 20 10 CGCDRN COc1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000060029183 262390833 /nfs/dbraw/zinc/39/08/33/262390833.db2.gz FLUCHNPWMOHOHM-GFCCVEGCSA-N 0 0 287.359 3.260 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272580179 263007203 /nfs/dbraw/zinc/00/72/03/263007203.db2.gz DYHLTFXZMUXDRY-RQDOONKYSA-N 0 0 277.364 3.052 20 10 CGCDRN CC(C)C[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000160873518 264261709 /nfs/dbraw/zinc/26/17/09/264261709.db2.gz APXQTLUYKURWGR-MRXNPFEDSA-N 0 0 274.408 3.239 20 10 CGCDRN CN(Cc1ccccc1O)c1nc2cc(F)ccc2o1 ZINC000131416452 264371118 /nfs/dbraw/zinc/37/11/18/264371118.db2.gz LYEMMGHYZURYMH-UHFFFAOYSA-N 0 0 272.279 3.309 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273496252 287909235 /nfs/dbraw/zinc/90/92/35/287909235.db2.gz PGQAMLPGZWLGFY-VHSXEESVSA-N 0 0 284.381 3.093 20 10 CGCDRN CC[C@H]([NH2+]CCN(C)CC)c1cccc(Cl)c1[O-] ZINC000287797821 288040807 /nfs/dbraw/zinc/04/08/07/288040807.db2.gz TYPIVCVYFIFDQB-ZDUSSCGKSA-N 0 0 270.804 3.038 20 10 CGCDRN CO[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000188104271 294279950 /nfs/dbraw/zinc/27/99/50/294279950.db2.gz DLPQNLNUNNWQQZ-SFYZADRCSA-N 0 0 278.179 3.385 20 10 CGCDRN C[C@H](CN1CCCCC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124699132 327988896 /nfs/dbraw/zinc/98/88/96/327988896.db2.gz QUAWPJALVLEDHW-GFCCVEGCSA-N 0 0 282.815 3.010 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H]2CCO[C@H]21 ZINC000293754457 328277548 /nfs/dbraw/zinc/27/75/48/328277548.db2.gz YLRRDJNUUHWMHT-CUOATXAZSA-N 0 0 299.773 3.088 20 10 CGCDRN O=C(c1c(F)ccc(O)c1O)N1CCC2(CCCC2)CC1 ZINC000295896369 328287749 /nfs/dbraw/zinc/28/77/49/328287749.db2.gz QINABLJQDNJZPU-UHFFFAOYSA-N 0 0 293.338 3.033 20 10 CGCDRN Cc1nnc(N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000228869124 329348749 /nfs/dbraw/zinc/34/87/49/329348749.db2.gz LJHQGNGSAOLFEE-VIFPVBQESA-N 0 0 262.382 3.086 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000249600913 329908154 /nfs/dbraw/zinc/90/81/54/329908154.db2.gz ODUGGTSJFZGHPJ-BHYNMZESSA-N 0 0 299.773 3.232 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1(C2CC2)CC1 ZINC000527176993 330231581 /nfs/dbraw/zinc/23/15/81/330231581.db2.gz BMKMILSVEVMIOM-UHFFFAOYSA-N 0 0 297.402 3.229 20 10 CGCDRN CC[C@H]([NH2+]CC12CC(C1)CO2)c1cccc(Cl)c1[O-] ZINC000527981313 330298361 /nfs/dbraw/zinc/29/83/61/330298361.db2.gz PNSDUDVWJICLQG-IQYSWEBNSA-N 0 0 281.783 3.265 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1CCC1 ZINC000471666621 331514431 /nfs/dbraw/zinc/51/44/31/331514431.db2.gz WXBKNBBJCKLOEU-UHFFFAOYSA-N 0 0 285.391 3.086 20 10 CGCDRN CCN(CC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472230526 331532494 /nfs/dbraw/zinc/53/24/94/331532494.db2.gz OXOPSPKCGIPCNG-UHFFFAOYSA-N 0 0 273.380 3.038 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1F ZINC000491533271 332231252 /nfs/dbraw/zinc/23/12/52/332231252.db2.gz OTPZFHJVIKGPDJ-FPLPWBNLSA-N 0 0 288.297 3.426 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccccc2N(C)C)cn1 ZINC000492502964 332400574 /nfs/dbraw/zinc/40/05/74/332400574.db2.gz MMLXGHLYDALVHC-QXMHVHEDSA-N 0 0 295.386 3.132 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(N2CCCC2)nc1 ZINC000226617297 333266293 /nfs/dbraw/zinc/26/62/93/333266293.db2.gz WRWGEXWQCBCHHQ-UHFFFAOYSA-N 0 0 287.338 3.139 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1ccc(F)cc1O ZINC000230671446 333320628 /nfs/dbraw/zinc/32/06/28/333320628.db2.gz SCLOPQXYVFLOKV-SECBINFHSA-N 0 0 263.316 3.000 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2ncnn2C(C)C)cc1 ZINC000279775395 519780407 /nfs/dbraw/zinc/78/04/07/519780407.db2.gz TWEHDYBWLOIYPU-UHFFFAOYSA-N 0 0 288.395 3.283 20 10 CGCDRN CC(C)c1ccc(OCC(=O)NCc2ccc(N)cc2)cc1 ZINC000297340295 519838014 /nfs/dbraw/zinc/83/80/14/519838014.db2.gz YJNKRTANKXESPN-UHFFFAOYSA-N 0 0 298.386 3.087 20 10 CGCDRN CC(C)c1nnc(NCc2ccc(N(C)C)cc2)s1 ZINC000268509179 519890685 /nfs/dbraw/zinc/89/06/85/519890685.db2.gz UKKFEHIXNMEJEF-UHFFFAOYSA-N 0 0 276.409 3.340 20 10 CGCDRN CC1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000131180776 520765993 /nfs/dbraw/zinc/76/59/93/520765993.db2.gz WXPUTWCGDRLXNK-UHFFFAOYSA-N 0 0 290.190 3.358 20 10 CGCDRN CCN(CCCCF)c1ccc(OC)c(OC)c1 ZINC000286357594 521004587 /nfs/dbraw/zinc/00/45/87/521004587.db2.gz JGPCZYWILGSNLS-UHFFFAOYSA-N 0 0 255.333 3.280 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cc(C)on2)cc1 ZINC000299339989 521027470 /nfs/dbraw/zinc/02/74/70/521027470.db2.gz AEHKIILJFZWQBX-UHFFFAOYSA-N 0 0 260.337 3.408 20 10 CGCDRN CCC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000277209740 521163858 /nfs/dbraw/zinc/16/38/58/521163858.db2.gz HDCRWYJGJYORQH-AWEZNQCLSA-N 0 0 296.386 3.015 20 10 CGCDRN CCC[C@]1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236856055 521308416 /nfs/dbraw/zinc/30/84/16/521308416.db2.gz VQHRGASTXQJQDC-QGZVFWFLSA-N 0 0 274.408 3.240 20 10 CGCDRN CCC(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000122346481 521326534 /nfs/dbraw/zinc/32/65/34/521326534.db2.gz REGNBKBLHRAUKM-UHFFFAOYSA-N 0 0 287.407 3.051 20 10 CGCDRN CCCN(Cc1ccccc1O)[C@H](C)c1noc(C)n1 ZINC000289892167 521690711 /nfs/dbraw/zinc/69/07/11/521690711.db2.gz MLSUVKZRBVIPCX-LLVKDONJSA-N 0 0 275.352 3.057 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(C(F)F)s2)cc1 ZINC000268589497 522214461 /nfs/dbraw/zinc/21/44/61/522214461.db2.gz LODUNOPCONLSAB-UHFFFAOYSA-N 0 0 284.335 3.154 20 10 CGCDRN COc1cc(NCc2cccc(C)c2O)cc(OC)c1 ZINC000158051609 522747303 /nfs/dbraw/zinc/74/73/03/522747303.db2.gz OSEKHGKUCWMLJS-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CCc1nsc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000080771778 522969411 /nfs/dbraw/zinc/96/94/11/522969411.db2.gz XRTIQQLAYNSYJK-UHFFFAOYSA-N 0 0 288.420 3.313 20 10 CGCDRN CC[C@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC000068489272 523785419 /nfs/dbraw/zinc/78/54/19/523785419.db2.gz DBBFYRJXCMGHCI-HNNXBMFYSA-N 0 0 299.370 3.211 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC1 ZINC000077302256 524219856 /nfs/dbraw/zinc/21/98/56/524219856.db2.gz QXEVGZAFWGQVJA-UHFFFAOYSA-N 0 0 274.389 3.392 20 10 CGCDRN C[C@H]1CC[C@@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000131449065 524344117 /nfs/dbraw/zinc/34/41/17/524344117.db2.gz HVZUUICHILXSGT-QWHCGFSZSA-N 0 0 261.365 3.177 20 10 CGCDRN C[C@@H](CCc1ccccc1)NC(=O)NCc1ccccc1O ZINC000299500536 524533334 /nfs/dbraw/zinc/53/33/34/524533334.db2.gz LSUQNHZQXXWZMM-AWEZNQCLSA-N 0 0 298.386 3.213 20 10 CGCDRN Cc1cc(CN(C)Cc2nccs2)ccc1N(C)C ZINC000292837296 524666409 /nfs/dbraw/zinc/66/64/09/524666409.db2.gz PGBRFMMNJALJKP-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN Cc1cccc(OCCCC(=O)NCc2ccccc2O)c1 ZINC000299533508 524731806 /nfs/dbraw/zinc/73/18/06/524731806.db2.gz HHKMWXOQGAZXGP-UHFFFAOYSA-N 0 0 299.370 3.176 20 10 CGCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000049807479 524989365 /nfs/dbraw/zinc/98/93/65/524989365.db2.gz LAIQRLYWSPLUFU-WEVVVXLNSA-N 0 0 269.300 3.058 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276964149 525392924 /nfs/dbraw/zinc/39/29/24/525392924.db2.gz SLCWTKABVZSBJN-OUAUKWLOSA-N 0 0 285.334 3.136 20 10 CGCDRN COc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747658 526032512 /nfs/dbraw/zinc/03/25/12/526032512.db2.gz WRQVDJLVIHVGRU-NSHDSACASA-N 0 0 275.323 3.391 20 10 CGCDRN Oc1cc2c(cc1CNc1ccc(C3CCC3)cn1)OCO2 ZINC000293028189 526336033 /nfs/dbraw/zinc/33/60/33/526336033.db2.gz PMZIVCPLAGHRTA-UHFFFAOYSA-N 0 0 298.342 3.396 20 10 CGCDRN Cc1csc(CNCc2ccc3c(c2)CCCN3C)n1 ZINC000050286762 526357919 /nfs/dbraw/zinc/35/79/19/526357919.db2.gz NEDVTBBAPRUYNS-UHFFFAOYSA-N 0 0 287.432 3.124 20 10 CGCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1cccc(C)c1C ZINC000493708452 535657169 /nfs/dbraw/zinc/65/71/69/535657169.db2.gz ADWGEZOQJVUQHB-HJWRWDBZSA-N 0 0 269.348 3.093 20 10 CGCDRN Cn1cc(NCc2cc(-c3ccccc3)ccc2O)cn1 ZINC000727470204 571749203 /nfs/dbraw/zinc/74/92/03/571749203.db2.gz IZRXKGZUDJCADS-UHFFFAOYSA-N 0 0 279.343 3.405 20 10 CGCDRN CCSc1ccccc1C(=O)N1CCS[C@H](C)C1 ZINC000728885074 571845963 /nfs/dbraw/zinc/84/59/63/571845963.db2.gz IUUIVOKHALEMAB-LLVKDONJSA-N 0 0 281.446 3.376 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CSC(C)(C)C)c1 ZINC000728978017 571851862 /nfs/dbraw/zinc/85/18/62/571851862.db2.gz KGXMVFPGILFMOS-JTQLQIEISA-N 0 0 297.420 3.110 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccc2[nH]ccc2c1 ZINC000729039876 571862899 /nfs/dbraw/zinc/86/28/99/571862899.db2.gz YMOPRTVIKHZTDJ-UHFFFAOYSA-N 0 0 281.315 3.195 20 10 CGCDRN COC1CN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000738225829 572366427 /nfs/dbraw/zinc/36/64/27/572366427.db2.gz OTDTVMAWVPSJHI-UHFFFAOYSA-N 0 0 283.327 3.122 20 10 CGCDRN Cc1ccc(C[C@H](C)NC(=O)C2=CC(=O)CS2)s1 ZINC000738545847 572378546 /nfs/dbraw/zinc/37/85/46/572378546.db2.gz ROMRJXRNLIEROZ-QMMMGPOBSA-N 0 0 281.402 3.185 20 10 CGCDRN O=C([O-])c1cc2ccccc2c(C[NH+]2CCCCC2)c1O ZINC000740098609 572431912 /nfs/dbraw/zinc/43/19/12/572431912.db2.gz RJTKEEUORXMPKT-UHFFFAOYSA-N 0 0 285.343 3.230 20 10 CGCDRN CCCCCc1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000731867974 572433548 /nfs/dbraw/zinc/43/35/48/572433548.db2.gz GAJJCJWLFVMTLF-UHFFFAOYSA-N 0 0 297.405 3.290 20 10 CGCDRN COc1ccc(N(Cc2ccno2)CC(C)C)cc1 ZINC000732199913 572452052 /nfs/dbraw/zinc/45/20/52/572452052.db2.gz OTARMXXWZIQCCA-UHFFFAOYSA-N 0 0 260.337 3.346 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000740740109 572454810 /nfs/dbraw/zinc/45/48/10/572454810.db2.gz OGHCFZJSSKNJIY-GOSISDBHSA-N 0 0 294.398 3.051 20 10 CGCDRN COc1ccc(Cl)cc1CNC(=O)C1=CC(=O)CS1 ZINC000732272582 572457307 /nfs/dbraw/zinc/45/73/07/572457307.db2.gz WVJIPYZDKIZYJY-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CCC(=O)Nc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732272327 572457383 /nfs/dbraw/zinc/45/73/83/572457383.db2.gz PZZIKHPJBOFWEI-UHFFFAOYSA-N 0 0 290.344 3.055 20 10 CGCDRN CO[C@H](C)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732282315 572457863 /nfs/dbraw/zinc/45/78/63/572457863.db2.gz FKWYFEBFAUAPCT-SECBINFHSA-N 0 0 277.345 3.413 20 10 CGCDRN O=C(NC1(c2ccc(F)cc2)CCC1)C1=CC(=O)CS1 ZINC000732280611 572458402 /nfs/dbraw/zinc/45/84/02/572458402.db2.gz LWZLNCIACCPMMC-UHFFFAOYSA-N 0 0 291.347 3.402 20 10 CGCDRN Cc1ccc(C)c(OCCOC(=O)C2=CC(=O)CS2)c1 ZINC000732353703 572461188 /nfs/dbraw/zinc/46/11/88/572461188.db2.gz LBQLFQIQAGHKLZ-UHFFFAOYSA-N 0 0 292.356 3.306 20 10 CGCDRN CCCCc1noc([C@@H](C)OC(=O)C2=CC(=O)CS2)n1 ZINC000732353451 572461363 /nfs/dbraw/zinc/46/13/63/572461363.db2.gz PKOUPBDQDGCMGQ-MRVPVSSYSA-N 0 0 296.348 3.097 20 10 CGCDRN Cc1cc(C(=O)NC[C@@H]2CC2(C)C)c(C)n1-c1ccccn1 ZINC000732795932 572483786 /nfs/dbraw/zinc/48/37/86/572483786.db2.gz CIRCXEVUDACTEL-AWEZNQCLSA-N 0 0 297.402 3.265 20 10 CGCDRN CCCOC(=O)[C@H](C)N(CC(C)C)c1ccc(OC)cc1 ZINC000741782317 572527039 /nfs/dbraw/zinc/52/70/39/572527039.db2.gz SOFZSYJGEYJPJR-AWEZNQCLSA-N 0 0 293.407 3.499 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnccn2)cc1Cl ZINC000733223431 572544348 /nfs/dbraw/zinc/54/43/48/572544348.db2.gz ISVRXRISLXSMNV-XQRVVYSFSA-N 0 0 287.750 3.115 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1CCSc2ccccc21 ZINC000743326959 572647500 /nfs/dbraw/zinc/64/75/00/572647500.db2.gz IYNPUZZGQBRNLX-AWEZNQCLSA-N 0 0 299.395 3.288 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cc[nH]n1 ZINC000734430056 572656375 /nfs/dbraw/zinc/65/63/75/572656375.db2.gz REKBSFGOEWUWJS-UHFFFAOYSA-N 0 0 294.358 3.378 20 10 CGCDRN CCC(CC)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734526127 572664776 /nfs/dbraw/zinc/66/47/76/572664776.db2.gz CJEDPJLMBHBPAS-UHFFFAOYSA-N 0 0 291.439 3.296 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(C)CCCC1 ZINC000734667782 572674221 /nfs/dbraw/zinc/67/42/21/572674221.db2.gz PGHLRFCFZZBAQN-UHFFFAOYSA-N 0 0 289.423 3.193 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000743674137 572676756 /nfs/dbraw/zinc/67/67/56/572676756.db2.gz SWWSODNDCYAFGQ-KGLIPLIRSA-N 0 0 291.439 3.377 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000743674138 572676897 /nfs/dbraw/zinc/67/68/97/572676897.db2.gz SWWSODNDCYAFGQ-UONOGXRCSA-N 0 0 291.439 3.377 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc2cc(F)ccc2o1 ZINC000735516124 572729763 /nfs/dbraw/zinc/72/97/63/572729763.db2.gz JQQVSZJCDMWWGN-UHFFFAOYSA-N 0 0 285.274 3.208 20 10 CGCDRN O=C(/C=C\C1CCCCC1)NCc1ccccc1O ZINC000735857105 572745985 /nfs/dbraw/zinc/74/59/85/572745985.db2.gz MZAKBTOBQHFQSF-KHPPLWFESA-N 0 0 259.349 3.145 20 10 CGCDRN CCN(CCCSC)c1ccc(OC)c(OC)c1 ZINC000744390238 572748809 /nfs/dbraw/zinc/74/88/09/572748809.db2.gz CQBBBFAPTGGUNN-UHFFFAOYSA-N 0 0 269.410 3.283 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCCSC ZINC000736672958 572804584 /nfs/dbraw/zinc/80/45/84/572804584.db2.gz RMQWABCNEVIPPC-UHFFFAOYSA-N 0 0 281.421 3.274 20 10 CGCDRN CCN(C[C@@H](O)c1ccccc1F)c1ccc(OC)cc1 ZINC000746109257 572853649 /nfs/dbraw/zinc/85/36/49/572853649.db2.gz NJWGSFFZAKIKCF-QGZVFWFLSA-N 0 0 289.350 3.394 20 10 CGCDRN CCN(C[C@@H](O)c1cccc(F)c1)c1ccc(OC)cc1 ZINC000746109209 572853695 /nfs/dbraw/zinc/85/36/95/572853695.db2.gz MMPOFNMXIVIBTC-QGZVFWFLSA-N 0 0 289.350 3.394 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc2c(c1)CCCC2 ZINC000748352398 572974472 /nfs/dbraw/zinc/97/44/72/572974472.db2.gz BUQZMBDDZOMBJJ-UHFFFAOYSA-N 0 0 281.355 3.201 20 10 CGCDRN CCCN(C)c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000748347042 572974620 /nfs/dbraw/zinc/97/46/20/572974620.db2.gz SLGYYUAISPGKKW-UHFFFAOYSA-N 0 0 298.386 3.168 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cnc(C)cn2)cc1 ZINC000749441904 573005247 /nfs/dbraw/zinc/00/52/47/573005247.db2.gz MKGIJBKFULBUFR-UHFFFAOYSA-N 0 0 271.364 3.210 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1nccs1 ZINC000749515874 573015777 /nfs/dbraw/zinc/01/57/77/573015777.db2.gz YJXDXRRGHXFOCP-UHFFFAOYSA-N 0 0 260.362 3.105 20 10 CGCDRN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000316592990 597046460 /nfs/dbraw/zinc/04/64/60/597046460.db2.gz UDMVIHWTAYRKNW-ZDUSSCGKSA-N 0 0 299.370 3.232 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(Cl)c1 ZINC000207512926 617865776 /nfs/dbraw/zinc/86/57/76/617865776.db2.gz HQSAGGSYGVYRMT-ALCCZGGFSA-N 0 0 289.718 3.403 20 10 CGCDRN CC[C@@H]([NH2+]CCC1(C)OCCO1)c1cccc(Cl)c1[O-] ZINC000806160738 617681007 /nfs/dbraw/zinc/68/10/07/617681007.db2.gz UDMJYCKDVFPZQG-CYBMUJFWSA-N 0 0 299.798 3.239 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000890759399 617815363 /nfs/dbraw/zinc/81/53/63/617815363.db2.gz AOKNXBGXNUTLKM-PJXYFTJBSA-N 0 0 279.767 3.098 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)C1(F)CCCCC1 ZINC000890759144 617815661 /nfs/dbraw/zinc/81/56/61/617815661.db2.gz DPTTYPMAKTUUFB-UHFFFAOYSA-N 0 0 285.746 3.334 20 10 CGCDRN CSCC1(CC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761424 617817633 /nfs/dbraw/zinc/81/76/33/617817633.db2.gz RGJKURJCCAJVEC-UHFFFAOYSA-N 0 0 299.823 3.195 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@]12C[C@@H]1CCCC2 ZINC000890762738 617817973 /nfs/dbraw/zinc/81/79/73/617817973.db2.gz HELJPABCYSVXDU-NHYWBVRUSA-N 0 0 279.767 3.242 20 10 CGCDRN CCCc1nsc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000812456812 617825144 /nfs/dbraw/zinc/82/51/44/617825144.db2.gz SYQMOGBJIXPWFB-UHFFFAOYSA-N 0 0 294.399 3.308 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ccccn2)cc1F ZINC000007350970 617841411 /nfs/dbraw/zinc/84/14/11/617841411.db2.gz XRHFJJQXFKGMKN-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CCOC(=O)CCCCCN(C)c1ccc(OC)cc1 ZINC000071293343 617960381 /nfs/dbraw/zinc/96/03/81/617960381.db2.gz VNCXJHTXODCDIK-UHFFFAOYSA-N 0 0 279.380 3.255 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000804856103 618038293 /nfs/dbraw/zinc/03/82/93/618038293.db2.gz VWHZTBCNZMQBCX-XHDPSFHLSA-N 0 0 283.375 3.017 20 10 CGCDRN CC(C)c1nnc(CSc2ncc(Cl)s2)[nH]1 ZINC000850000037 618752682 /nfs/dbraw/zinc/75/26/82/618752682.db2.gz HGQNARUUVKMKOQ-UHFFFAOYSA-N 0 0 274.802 3.330 20 10 CGCDRN C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000235615258 618812326 /nfs/dbraw/zinc/81/23/26/618812326.db2.gz WOEIBTBEFCUQHR-RYUDHWBXSA-N 0 0 261.369 3.217 20 10 CGCDRN CC[C@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000189553501 625302149 /nfs/dbraw/zinc/30/21/49/625302149.db2.gz DJJPNSKYCFGETM-WDEREUQCSA-N 0 0 265.353 3.014 20 10 CGCDRN CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168787818 618914060 /nfs/dbraw/zinc/91/40/60/618914060.db2.gz ZDLOECZIKKFOGE-ZJUUUORDSA-N 0 0 257.374 3.324 20 10 CGCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000169558928 618917406 /nfs/dbraw/zinc/91/74/06/618917406.db2.gz LAIQRLYWSPLUFU-UITAMQMPSA-N 0 0 269.300 3.058 20 10 CGCDRN C[C@H](Nc1ccc(N2CCOCC2)cc1)c1ccccc1O ZINC000314005585 618956078 /nfs/dbraw/zinc/95/60/78/618956078.db2.gz FBTVIDXENTWXCT-AWEZNQCLSA-N 0 0 298.386 3.402 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2cccc(C)c2C)nc1 ZINC000843281090 619008874 /nfs/dbraw/zinc/00/88/74/619008874.db2.gz MLQUQMMZSYALRU-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180977802 619021258 /nfs/dbraw/zinc/02/12/58/619021258.db2.gz BQQNKMMYIJWWGN-ODAKQPGBSA-N 0 0 289.375 3.054 20 10 CGCDRN Cc1ccoc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000310401728 619084334 /nfs/dbraw/zinc/08/43/34/619084334.db2.gz KTNRIWJGGIMYGW-UHFFFAOYSA-N 0 0 251.713 3.237 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCOCC1 ZINC000310955799 619101088 /nfs/dbraw/zinc/10/10/88/619101088.db2.gz NETGTTJLKNTPQI-LLVKDONJSA-N 0 0 290.190 3.358 20 10 CGCDRN Oc1ccccc1CN1CCc2cc(F)c(F)cc21 ZINC000775968649 619108237 /nfs/dbraw/zinc/10/82/37/619108237.db2.gz LQASDZXPPKKKDU-UHFFFAOYSA-N 0 0 261.271 3.233 20 10 CGCDRN Cc1cc(O)c(CN(CCO)c2ccccc2)cc1C ZINC000191970129 619114320 /nfs/dbraw/zinc/11/43/20/619114320.db2.gz PDWWPEYBTJGQMY-UHFFFAOYSA-N 0 0 271.360 3.008 20 10 CGCDRN CCN(Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000893452809 619179746 /nfs/dbraw/zinc/17/97/46/619179746.db2.gz XJZOPTFPQIWAIZ-UHFFFAOYSA-N 0 0 287.359 3.436 20 10 CGCDRN C[C@@H](C(=O)OC(C)(C)C)N(Cc1ccccc1O)C1CC1 ZINC000840956731 619268886 /nfs/dbraw/zinc/26/88/86/619268886.db2.gz CTPDZLQTONNYRA-LBPRGKRZSA-N 0 0 291.391 3.087 20 10 CGCDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCCC1 ZINC000062745396 619282702 /nfs/dbraw/zinc/28/27/02/619282702.db2.gz OHXCMVDAZFSPGL-XJKSGUPXSA-N 0 0 294.414 3.302 20 10 CGCDRN C=Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000185291298 625337369 /nfs/dbraw/zinc/33/73/69/625337369.db2.gz RDOPFCWYDIFMDE-UHFFFAOYSA-N 0 0 267.328 3.307 20 10 CGCDRN C[C@@H](NC(=O)CSc1nccs1)c1ccc(F)cc1 ZINC000047243678 619384689 /nfs/dbraw/zinc/38/46/89/619384689.db2.gz RLJZHGCDZFGLAQ-SECBINFHSA-N 0 0 296.392 3.252 20 10 CGCDRN CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000047968308 619455850 /nfs/dbraw/zinc/45/58/50/619455850.db2.gz FECYRVDNMSPUAP-AWEZNQCLSA-N 0 0 289.423 3.084 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000185421748 625357015 /nfs/dbraw/zinc/35/70/15/625357015.db2.gz UZFKWQPLIUYSOM-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN CCCNC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164266951 619602328 /nfs/dbraw/zinc/60/23/28/619602328.db2.gz RCTZHPXIWSBWAZ-VIFPVBQESA-N 0 0 286.466 3.447 20 10 CGCDRN COc1cc(C)cc(CN[C@@H](C2CC2)C(F)(F)F)c1O ZINC000894787526 619636426 /nfs/dbraw/zinc/63/64/26/619636426.db2.gz SQBIYFHZNRLVHM-ZDUSSCGKSA-N 0 0 289.297 3.140 20 10 CGCDRN COc1cccc(O)c1CNc1cc(F)cc(N(C)C)c1 ZINC000895172989 619766815 /nfs/dbraw/zinc/76/68/15/619766815.db2.gz UKWHBNNBBYIUED-UHFFFAOYSA-N 0 0 290.338 3.218 20 10 CGCDRN CN(C)c1ccc(/C=C\CN(C)Cc2ccns2)cc1 ZINC000895452349 619832168 /nfs/dbraw/zinc/83/21/68/619832168.db2.gz JYHDQPHOWOBWCZ-PLNGDYQASA-N 0 0 287.432 3.354 20 10 CGCDRN CC(C)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895665653 619868166 /nfs/dbraw/zinc/86/81/66/619868166.db2.gz NYVVHJKJCUFCLG-UHFFFAOYSA-N 0 0 279.361 3.041 20 10 CGCDRN C[C@@H]1CCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896187466 619963927 /nfs/dbraw/zinc/96/39/27/619963927.db2.gz PBUSPCMLVHFYGY-SCZZXKLOSA-N 0 0 291.372 3.231 20 10 CGCDRN CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896644476 620040240 /nfs/dbraw/zinc/04/02/40/620040240.db2.gz WPLGVUGZGRURNF-SJCJKPOMSA-N 0 0 289.350 3.397 20 10 CGCDRN COc1cc(C[NH2+]Cc2c([O-])cccc2F)ccc1C ZINC000896636251 620040977 /nfs/dbraw/zinc/04/09/77/620040977.db2.gz BOOKJXKCMPGARW-UHFFFAOYSA-N 0 0 275.323 3.138 20 10 CGCDRN CC(C)c1cnc(CNCc2c(O)cccc2F)s1 ZINC000896638159 620041681 /nfs/dbraw/zinc/04/16/81/620041681.db2.gz UNHYLVYLCJQKBU-UHFFFAOYSA-N 0 0 280.368 3.401 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(C2CC2)CC1 ZINC000896693012 620048022 /nfs/dbraw/zinc/04/80/22/620048022.db2.gz WRXKAJHXUAVNQE-UHFFFAOYSA-N 0 0 285.387 3.077 20 10 CGCDRN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1C ZINC000896755275 620056705 /nfs/dbraw/zinc/05/67/05/620056705.db2.gz AGRUXZIBOYXNAB-IUCAKERBSA-N 0 0 291.372 3.041 20 10 CGCDRN CC[C@@H]([NH2+]CC(CC)(CC)CO)c1ccc(F)cc1[O-] ZINC000796849883 620160603 /nfs/dbraw/zinc/16/06/03/620160603.db2.gz XMJNLPNWLOADGO-CQSZACIVSA-N 0 0 283.387 3.371 20 10 CGCDRN COc1cc2c(cc1C[NH2+]Cc1ccccc1O)O[C@@H](C)C2 ZINC000237299377 620193627 /nfs/dbraw/zinc/19/36/27/620193627.db2.gz JXQSXEADXBXHIZ-LBPRGKRZSA-N 0 0 299.370 3.014 20 10 CGCDRN CC1(CC(=O)NCc2c(O)cccc2F)CCCC1 ZINC000928705370 620207329 /nfs/dbraw/zinc/20/73/29/620207329.db2.gz HVHKQVOAQRDCSK-UHFFFAOYSA-N 0 0 265.328 3.118 20 10 CGCDRN CC[NH+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC000100692613 620268341 /nfs/dbraw/zinc/26/83/41/620268341.db2.gz BMEFUZVVPLTJOW-UHFFFAOYSA-N 0 0 272.186 3.305 20 10 CGCDRN COc1cc(Cl)cc(CNCc2csc(C)n2)c1O ZINC000228670500 620268389 /nfs/dbraw/zinc/26/83/89/620268389.db2.gz DHVPMXREFUBUES-UHFFFAOYSA-N 0 0 298.795 3.109 20 10 CGCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CC1(C)C ZINC000864050667 620359420 /nfs/dbraw/zinc/35/94/20/620359420.db2.gz MYNJGTDUGDUXAI-JTQLQIEISA-N 0 0 255.308 3.148 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897952884 620453826 /nfs/dbraw/zinc/45/38/26/620453826.db2.gz KTSCJMULTUGNLD-SUZMYJTESA-N 0 0 296.208 3.433 20 10 CGCDRN CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])O1 ZINC000898046257 620463586 /nfs/dbraw/zinc/46/35/86/620463586.db2.gz DBILCQQYWYKLJZ-NSHDSACASA-N 0 0 285.334 3.108 20 10 CGCDRN COc1cc(NCc2ccc(N(C)C)c(F)c2)ccc1N ZINC000841041342 620523651 /nfs/dbraw/zinc/52/36/51/620523651.db2.gz GCFJYGPYABXMDC-UHFFFAOYSA-N 0 0 289.354 3.095 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C/Cl ZINC000899057456 620618581 /nfs/dbraw/zinc/61/85/81/620618581.db2.gz NUFHRSXAIRSGDX-BJMVGYQFSA-N 0 0 295.814 3.037 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CC1CCCC1 ZINC000042411897 620837426 /nfs/dbraw/zinc/83/74/26/620837426.db2.gz UKCOVFQFRSDNTH-UHFFFAOYSA-N 0 0 284.197 3.435 20 10 CGCDRN C[C@H](NCc1nc2c(s1)CCC2)c1c(O)cccc1F ZINC000903191366 621628980 /nfs/dbraw/zinc/62/89/80/621628980.db2.gz VADJMIZTMRKVMP-VIFPVBQESA-N 0 0 292.379 3.327 20 10 CGCDRN Cc1ncccc1CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000903418441 621736572 /nfs/dbraw/zinc/73/65/72/621736572.db2.gz KPZFKNWQBGKOIQ-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(Cl)n2)c1 ZINC000083480137 625592237 /nfs/dbraw/zinc/59/22/37/625592237.db2.gz AXNNSBYCYUVHPB-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN CCOc1cccc(NCc2ccccc2O)c1[N+](=O)[O-] ZINC000169281237 623029873 /nfs/dbraw/zinc/02/98/73/623029873.db2.gz GRBJFDJHJORPAQ-UHFFFAOYSA-N 0 0 288.303 3.311 20 10 CGCDRN CCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228561007 623063377 /nfs/dbraw/zinc/06/33/77/623063377.db2.gz YGIWSMJLHMDDLC-ZDUSSCGKSA-N 0 0 299.798 3.055 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)C(C)C)cc1 ZINC000171925871 623200149 /nfs/dbraw/zinc/20/01/49/623200149.db2.gz IEVKDDUGIMUVNW-CQSZACIVSA-N 0 0 276.424 3.441 20 10 CGCDRN O=C(C1CC=CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000173671286 623334880 /nfs/dbraw/zinc/33/48/80/623334880.db2.gz AIKWZKZCMOPHOZ-UHFFFAOYSA-N 0 0 297.354 3.480 20 10 CGCDRN CCc1nc(CN(C)c2ccc(OC)c(OC)c2)cs1 ZINC000063617282 623342013 /nfs/dbraw/zinc/34/20/13/623342013.db2.gz GJRFHIFCOILSHJ-UHFFFAOYSA-N 0 0 292.404 3.359 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](CC(C)C)OC ZINC000841405394 623466650 /nfs/dbraw/zinc/46/66/50/623466650.db2.gz SDCNSOFWQCVGEO-INIZCTEOSA-N 0 0 293.407 3.192 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC000179420917 623755676 /nfs/dbraw/zinc/75/56/76/623755676.db2.gz SUYJORHBFPKTKP-UHFFFAOYSA-N 0 0 271.316 3.073 20 10 CGCDRN CC(=O)C(=O)CSc1ccc(Cl)c(Cl)c1 ZINC000808024405 623817018 /nfs/dbraw/zinc/81/70/18/623817018.db2.gz QGTHDDFCJJYYFC-UHFFFAOYSA-N 0 0 263.145 3.244 20 10 CGCDRN CCN(C(=O)/C=C/c1cnn(C)c1)c1cccc(Cl)c1 ZINC000914521959 623818934 /nfs/dbraw/zinc/81/89/34/623818934.db2.gz LKOPBXGXRVLKFC-BQYQJAHWSA-N 0 0 289.766 3.140 20 10 CGCDRN Cc1cnc(C)c(NCc2ccc(N(C)C)cc2C)n1 ZINC000762800723 623835069 /nfs/dbraw/zinc/83/50/69/623835069.db2.gz DFPGSHPVSCIVTI-UHFFFAOYSA-N 0 0 270.380 3.080 20 10 CGCDRN c1csc(Sc2nnc(C3CC3)n2C2CC2)n1 ZINC000914862992 623870617 /nfs/dbraw/zinc/87/06/17/623870617.db2.gz SJPSIGSVNMOGFY-UHFFFAOYSA-N 0 0 264.379 3.098 20 10 CGCDRN Cc1cc(C(=O)OCC(C)C)c(C)n1-c1ccccn1 ZINC000914908241 623876625 /nfs/dbraw/zinc/87/66/25/623876625.db2.gz ZKBWQHYPRXANIN-UHFFFAOYSA-N 0 0 272.348 3.302 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]cc2C)cc1 ZINC000916732619 624210759 /nfs/dbraw/zinc/21/07/59/624210759.db2.gz XLCRVWCGZGMTKH-UHFFFAOYSA-N 0 0 299.418 3.442 20 10 CGCDRN CC(C)(C)c1cnc(SCCO[C@@H]2CCOC2)s1 ZINC000917216956 624251715 /nfs/dbraw/zinc/25/17/15/624251715.db2.gz DZCPGLJQYGPJLA-SNVBAGLBSA-N 0 0 287.450 3.338 20 10 CGCDRN Cc1cc(C)cc(N(C)C(=O)/C=C\c2cccnc2)c1 ZINC000917829748 624315282 /nfs/dbraw/zinc/31/52/82/624315282.db2.gz DXGVDRFHJCFCCK-SREVYHEPSA-N 0 0 266.344 3.375 20 10 CGCDRN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000154557520 624317501 /nfs/dbraw/zinc/31/75/01/624317501.db2.gz OTJJNVULHLRZLT-MNOVXSKESA-N 0 0 299.465 3.065 20 10 CGCDRN CC(C)c1cccc(N(C)C(=O)/C=C\c2cnn(C)c2)c1 ZINC000920280829 624467122 /nfs/dbraw/zinc/46/71/22/624467122.db2.gz UCTOGMIVOGKLMG-HJWRWDBZSA-N 0 0 283.375 3.220 20 10 CGCDRN C[C@H](Nc1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000920869797 624548204 /nfs/dbraw/zinc/54/82/04/624548204.db2.gz CLHVYXBAWUVFLU-LBPRGKRZSA-N 0 0 289.404 3.153 20 10 CGCDRN Cc1cc(F)cc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000175503485 624641779 /nfs/dbraw/zinc/64/17/79/624641779.db2.gz DGUVDIOKMKEYTO-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN Cc1ccc(O)c(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000237566868 624658655 /nfs/dbraw/zinc/65/86/55/624658655.db2.gz BDLPAODDDAVJKH-NSHDSACASA-N 0 0 289.379 3.232 20 10 CGCDRN C[C@H]1c2cccn2CCN1Cc1cc(Cl)ccc1O ZINC000179565968 624666077 /nfs/dbraw/zinc/66/60/77/624666077.db2.gz JNRGXCATVXUERW-NSHDSACASA-N 0 0 276.767 3.424 20 10 CGCDRN CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180623947 624760781 /nfs/dbraw/zinc/76/07/81/624760781.db2.gz BRFUZANOICWERQ-VQHVLOKHSA-N 0 0 291.391 3.442 20 10 CGCDRN COC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000181073368 624803291 /nfs/dbraw/zinc/80/32/91/624803291.db2.gz HXNSJAGETPHEKE-UHFFFAOYSA-N 0 0 290.190 3.358 20 10 CGCDRN CC[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181115392 624810246 /nfs/dbraw/zinc/81/02/46/624810246.db2.gz UQFNBHVLZNHADX-WGDOYQSBSA-N 0 0 289.375 3.196 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]c2cc(F)ccc21 ZINC000181149146 624815664 /nfs/dbraw/zinc/81/56/64/624815664.db2.gz OZNVNVMZKNPGOQ-UHFFFAOYSA-N 0 0 298.317 3.285 20 10 CGCDRN C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000184005489 625191478 /nfs/dbraw/zinc/19/14/78/625191478.db2.gz YYEHLQYZPJBQNW-LLVKDONJSA-N 0 0 271.335 3.349 20 10 CGCDRN CC(C)c1nsc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000184147063 625205533 /nfs/dbraw/zinc/20/55/33/625205533.db2.gz OXLOYMBWUNSDMR-VIFPVBQESA-N 0 0 293.392 3.116 20 10 CGCDRN COc1cccc2c1nc(NCc1cc(C)ccc1O)n2C ZINC000184789778 625270718 /nfs/dbraw/zinc/27/07/18/625270718.db2.gz ZGEPCJGNYZQRSP-UHFFFAOYSA-N 0 0 297.358 3.208 20 10 CGCDRN CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773086530 625856620 /nfs/dbraw/zinc/85/66/20/625856620.db2.gz CKAIKZJQHROEEU-ZDUSSCGKSA-N 0 0 277.412 3.254 20 10 CGCDRN CC(C)(NCc1ccc2c(c1)CCCO2)c1nccs1 ZINC000921748462 625862132 /nfs/dbraw/zinc/86/21/32/625862132.db2.gz IGJUJUCZWOSVIJ-UHFFFAOYSA-N 0 0 288.416 3.493 20 10 CGCDRN Cc1ccc(O)c(CN[C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922519631 626010613 /nfs/dbraw/zinc/01/06/13/626010613.db2.gz FIKHWYCAVKDPTA-RHSMWYFYSA-N 0 0 287.334 3.262 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000923023182 626119662 /nfs/dbraw/zinc/11/96/62/626119662.db2.gz OSODQGNTGNDWBW-BXUZGUMPSA-N 0 0 296.208 3.495 20 10 CGCDRN O=C(Cc1cccs1)NCCCSc1nccs1 ZINC000074135898 626125357 /nfs/dbraw/zinc/12/53/57/626125357.db2.gz DAYTZAXGTYBFIA-UHFFFAOYSA-N 0 0 298.458 3.046 20 10 CGCDRN COc1ccc(O)c(CNc2cc(F)cc(F)c2)c1 ZINC000020092119 634482237 /nfs/dbraw/zinc/48/22/37/634482237.db2.gz SWXFPWMXVQHKBY-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN CCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCC1 ZINC000838313372 626211323 /nfs/dbraw/zinc/21/13/23/626211323.db2.gz WDOGWNHMFSYMQC-GDAGCXPBSA-N 0 0 289.375 3.196 20 10 CGCDRN CCC1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000838559210 626237039 /nfs/dbraw/zinc/23/70/39/626237039.db2.gz LLOAWHNTBBRLPI-GFCCVEGCSA-N 0 0 275.396 3.055 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839147566 626317526 /nfs/dbraw/zinc/31/75/26/626317526.db2.gz NGCNVMUNDZZBTA-PHIMTYICSA-N 0 0 287.762 3.230 20 10 CGCDRN C/C=C(\CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000788963387 626357377 /nfs/dbraw/zinc/35/73/77/626357377.db2.gz GXNMNXFXWFETIQ-FIKOHSHLSA-N 0 0 260.381 3.286 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCS1)c1c([O-])cccc1F ZINC000886539327 626362019 /nfs/dbraw/zinc/36/20/19/626362019.db2.gz XYVRUSXEMUSNLU-ZJUUUORDSA-N 0 0 255.358 3.078 20 10 CGCDRN CCC1(NC(=O)NCc2ccc(N(C)C)cc2C)CCC1 ZINC000752978582 626442969 /nfs/dbraw/zinc/44/29/69/626442969.db2.gz NNGODNPENDHNCY-UHFFFAOYSA-N 0 0 289.423 3.193 20 10 CGCDRN CCN(Cc1ccnc(N(C)C)c1)c1ccc(OC)cc1 ZINC000754061042 626473859 /nfs/dbraw/zinc/47/38/59/626473859.db2.gz RTNOUPTUVZGGDC-UHFFFAOYSA-N 0 0 285.391 3.183 20 10 CGCDRN O=C(Nc1cccc(-c2ncco2)c1)C1=CC(=O)CS1 ZINC000754498948 626573442 /nfs/dbraw/zinc/57/34/42/626573442.db2.gz PRCNHPTXZJDBPR-UHFFFAOYSA-N 0 0 286.312 3.361 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000755864090 626654784 /nfs/dbraw/zinc/65/47/84/626654784.db2.gz PFVXEIKPFWTBJQ-LLVKDONJSA-N 0 0 291.347 3.223 20 10 CGCDRN CC[C@H](C[NH2+]Cc1ccc(N(CC)CC)cc1)CC(=O)[O-] ZINC000756311233 626691263 /nfs/dbraw/zinc/69/12/63/626691263.db2.gz TWSVHZQDCNETAN-AWEZNQCLSA-N 0 0 292.423 3.123 20 10 CGCDRN C[C@H]([NH2+]CCc1ccsc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756378831 626698835 /nfs/dbraw/zinc/69/88/35/626698835.db2.gz HENWQXUHYDHVPF-JTQLQIEISA-N 0 0 292.360 3.255 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756401503 626701604 /nfs/dbraw/zinc/70/16/04/626701604.db2.gz POALPYJQHHTZIQ-NWDGAFQWSA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCCCC1 ZINC000756443694 626706198 /nfs/dbraw/zinc/70/61/98/626706198.db2.gz UGQLFEXHTMUIRJ-RYUDHWBXSA-N 0 0 298.377 3.195 20 10 CGCDRN Cc1noc(C)c1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756455850 626706935 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CSCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756585451 626718165 /nfs/dbraw/zinc/71/81/65/626718165.db2.gz KJZTURGZRIUWIO-VIFPVBQESA-N 0 0 275.364 3.464 20 10 CGCDRN CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000756593457 626719374 /nfs/dbraw/zinc/71/93/74/626719374.db2.gz KCIOTFWGVPGWGL-NSHDSACASA-N 0 0 277.343 3.160 20 10 CGCDRN CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000756624086 626721088 /nfs/dbraw/zinc/72/10/88/626721088.db2.gz DHAZLZPKFOVNDP-IINYFYTJSA-N 0 0 296.367 3.012 20 10 CGCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756646702 626724073 /nfs/dbraw/zinc/72/40/73/626724073.db2.gz NTHKZMXILCISET-VWYCJHECSA-N 0 0 285.334 3.136 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756648965 626724619 /nfs/dbraw/zinc/72/46/19/626724619.db2.gz MFLLWSXOMFNSTQ-BZHVJNSISA-N 0 0 285.334 3.135 20 10 CGCDRN C[C@H]([NH2+]CC1(C)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756739433 626728519 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Cc1ccc(O)c([C@@H](C)Nc2cccc3c2oc(=O)n3C)c1 ZINC000756857940 626738278 /nfs/dbraw/zinc/73/82/78/626738278.db2.gz YUNKPYWJPJUFPE-LLVKDONJSA-N 0 0 298.342 3.319 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CC[C@@H]1CCCO1)CCC2 ZINC000839656829 626770377 /nfs/dbraw/zinc/77/03/77/626770377.db2.gz TZCBBJCIKVHAGC-AWEZNQCLSA-N 0 0 291.391 3.026 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757611962 626793748 /nfs/dbraw/zinc/79/37/48/626793748.db2.gz LUEUDRCQJUBAHR-LBPRGKRZSA-N 0 0 296.370 3.160 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000757654502 626797648 /nfs/dbraw/zinc/79/76/48/626797648.db2.gz AXWLBNWRKIDHIV-UPJWGTAASA-N 0 0 281.371 3.387 20 10 CGCDRN CCc1ccc(NC(=O)COc2ccc(N(C)C)cc2)cc1 ZINC000757704703 626802400 /nfs/dbraw/zinc/80/24/00/626802400.db2.gz NTQBCZJXBSWAAF-UHFFFAOYSA-N 0 0 298.386 3.333 20 10 CGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC000758030161 626822634 /nfs/dbraw/zinc/82/26/34/626822634.db2.gz OPMIXFPDEUXSLD-UHFFFAOYSA-N 0 0 293.407 3.254 20 10 CGCDRN Cc1ncc(CN(C)c2ccc(OC(C)C)cc2)cn1 ZINC000759908890 626930196 /nfs/dbraw/zinc/93/01/96/626930196.db2.gz FRLCCPYOPMBABK-UHFFFAOYSA-N 0 0 271.364 3.209 20 10 CGCDRN CCC(CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874383346 634539075 /nfs/dbraw/zinc/53/90/75/634539075.db2.gz UELCAKJIPSRWCE-UHFFFAOYSA-N 0 0 276.340 3.015 20 10 CGCDRN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874352103 634537473 /nfs/dbraw/zinc/53/74/73/634537473.db2.gz RNCHMDVKPHWUSC-QWRGUYRKSA-N 0 0 288.351 3.252 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2cc(Cl)cs2)c1 ZINC000760455363 626971168 /nfs/dbraw/zinc/97/11/68/626971168.db2.gz PUPVQEVAANNBEW-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC1CCC(F)(F)CC1 ZINC000761781642 627060061 /nfs/dbraw/zinc/06/00/61/627060061.db2.gz FPRMXSFSBMDGTP-UHFFFAOYSA-N 0 0 298.333 3.112 20 10 CGCDRN Cc1nc(C)c(C)c(NCc2ccc3c(c2)CCCN3C)n1 ZINC000761886160 627072377 /nfs/dbraw/zinc/07/23/77/627072377.db2.gz MJKCBJNHVNWOLO-UHFFFAOYSA-N 0 0 296.418 3.396 20 10 CGCDRN COc1ccc(N(C)CCCc2ccncc2)cc1OC ZINC000764954509 627234118 /nfs/dbraw/zinc/23/41/18/627234118.db2.gz SCEHUCWYZWYSEA-UHFFFAOYSA-N 0 0 286.375 3.168 20 10 CGCDRN C/C=C(/C=C/C(=O)NCc1ccc(N(C)C)c(F)c1)CC ZINC000765337384 627246184 /nfs/dbraw/zinc/24/61/84/627246184.db2.gz XKKNODUQETWECT-CKRZAMJHSA-N 0 0 290.382 3.420 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCn1ccnc1C ZINC000766269346 627308843 /nfs/dbraw/zinc/30/88/43/627308843.db2.gz IVJVCECHYQELTO-UHFFFAOYSA-N 0 0 285.391 3.043 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CC(=O)c1cccn1C ZINC000766277033 627312166 /nfs/dbraw/zinc/31/21/66/627312166.db2.gz BFKOODMNYUAJIS-UHFFFAOYSA-N 0 0 298.386 3.059 20 10 CGCDRN COc1cccc(O)c1CN(C)Cc1ccccc1F ZINC000768172427 627465594 /nfs/dbraw/zinc/46/55/94/627465594.db2.gz PEYOOOHDQISJAI-UHFFFAOYSA-N 0 0 275.323 3.172 20 10 CGCDRN Cc1ccccc1C(C)(C)C(=O)NCc1ccccc1O ZINC000769001247 627514754 /nfs/dbraw/zinc/51/47/54/627514754.db2.gz LNOMECHNEKTUIF-UHFFFAOYSA-N 0 0 283.371 3.295 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2ccsc2[nH]1 ZINC000769282865 627536048 /nfs/dbraw/zinc/53/60/48/627536048.db2.gz QSBSMQSRHWPPOK-UHFFFAOYSA-N 0 0 286.356 3.207 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)c(O)c1 ZINC000769331794 627542410 /nfs/dbraw/zinc/54/24/10/627542410.db2.gz XMGWNIWVYXPMMB-OAHLLOKOSA-N 0 0 261.365 3.165 20 10 CGCDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccccc1O ZINC000769363152 627545263 /nfs/dbraw/zinc/54/52/63/627545263.db2.gz PAUFCDBUJOLQEG-UHFFFAOYSA-N 0 0 294.354 3.420 20 10 CGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](C)[C@@H]2C)cc1F ZINC000769422496 627550946 /nfs/dbraw/zinc/55/09/46/627550946.db2.gz JRAXDFIIJDPNAS-KBPBESRZSA-N 0 0 294.414 3.281 20 10 CGCDRN COc1cccc(O)c1C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000769451191 627554174 /nfs/dbraw/zinc/55/41/74/627554174.db2.gz JDIZWOLCRYQCHR-CHWSQXEVSA-N 0 0 263.381 3.411 20 10 CGCDRN CCOc1ccc(O)c(CNc2cnn(C)c2C2CC2)c1 ZINC000769922483 627589795 /nfs/dbraw/zinc/58/97/95/627589795.db2.gz FGNOWZXUHWRVOO-UHFFFAOYSA-N 0 0 287.363 3.014 20 10 CGCDRN CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770304242 627612607 /nfs/dbraw/zinc/61/26/07/627612607.db2.gz LBYFRZOAWNAJBY-SECBINFHSA-N 0 0 284.743 3.186 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(O)c1O ZINC000770465379 627620627 /nfs/dbraw/zinc/62/06/27/627620627.db2.gz JQACBOBITCUGSA-UHFFFAOYSA-N 0 0 277.707 3.312 20 10 CGCDRN Cc1cc(C)cc(N(C)C(=O)/C=C\c2cncc(O)c2)c1 ZINC000770486567 627621617 /nfs/dbraw/zinc/62/16/17/627621617.db2.gz MJWUUCOTYFNWEX-PLNGDYQASA-N 0 0 282.343 3.080 20 10 CGCDRN C/C=C(\C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000770587396 627629908 /nfs/dbraw/zinc/62/99/08/627629908.db2.gz UCUBLGYHMOFQKM-KGVSQERTSA-N 0 0 292.342 3.301 20 10 CGCDRN Cc1ccc(C)c(COC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000772776338 627821088 /nfs/dbraw/zinc/82/10/88/627821088.db2.gz QSKSWWDDSMSTMB-SOFGYWHQSA-N 0 0 298.338 3.471 20 10 CGCDRN C[C@@H](NC(=O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000772995337 627838710 /nfs/dbraw/zinc/83/87/10/627838710.db2.gz AKNKJHXAYHZLQD-LLVKDONJSA-N 0 0 274.389 3.305 20 10 CGCDRN Cc1cccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773001403 627840013 /nfs/dbraw/zinc/84/00/13/627840013.db2.gz UEQITAFDVFGAFX-HNNXBMFYSA-N 0 0 296.414 3.481 20 10 CGCDRN C[C@H](NC(=O)C1(F)CCCC1)c1ccc(N(C)C)cc1 ZINC000773000336 627840260 /nfs/dbraw/zinc/84/02/60/627840260.db2.gz OPJBWTOOTVKWAL-LBPRGKRZSA-N 0 0 278.371 3.212 20 10 CGCDRN Cc1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773010968 627841852 /nfs/dbraw/zinc/84/18/52/627841852.db2.gz UTOLHOPXWRGZFI-OAHLLOKOSA-N 0 0 296.414 3.481 20 10 CGCDRN CS[C@@H](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773026470 627843564 /nfs/dbraw/zinc/84/35/64/627843564.db2.gz ROHJYWGKCWLZNP-RYUDHWBXSA-N 0 0 280.437 3.071 20 10 CGCDRN CCC(CC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773128475 627860684 /nfs/dbraw/zinc/86/06/84/627860684.db2.gz BRXAYPOEMAMJPQ-GFCCVEGCSA-N 0 0 277.412 3.301 20 10 CGCDRN CS[C@H](C)CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000773291808 627872010 /nfs/dbraw/zinc/87/20/10/627872010.db2.gz GEIBKADUHIBUQV-LLVKDONJSA-N 0 0 298.427 3.040 20 10 CGCDRN C[C@@H](NC(=O)NCCCC1CC1)c1ccc(N(C)C)cc1 ZINC000773308564 627872555 /nfs/dbraw/zinc/87/25/55/627872555.db2.gz VJHXOHGVYYYKPV-CYBMUJFWSA-N 0 0 289.423 3.303 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CC23CCC3)c(C)n1-c1ccccn1 ZINC000874788709 634617310 /nfs/dbraw/zinc/61/73/10/634617310.db2.gz SZIPGJMMLJNPSK-OAHLLOKOSA-N 0 0 295.386 3.162 20 10 CGCDRN CCc1nnc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000774481860 627997084 /nfs/dbraw/zinc/99/70/84/627997084.db2.gz ILJNCDATHSAWDF-NEPJUHHUSA-N 0 0 288.395 3.110 20 10 CGCDRN COc1cccc(-c2noc(NCc3ccccc3O)n2)c1 ZINC000774525347 628001675 /nfs/dbraw/zinc/00/16/75/628001675.db2.gz ZDQFIYGEFXFCJS-UHFFFAOYSA-N 0 0 297.314 3.063 20 10 CGCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775177289 628068781 /nfs/dbraw/zinc/06/87/81/628068781.db2.gz QNYMPPONOIFSDS-INIZCTEOSA-N 0 0 297.826 3.481 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1O ZINC000775404367 628091844 /nfs/dbraw/zinc/09/18/44/628091844.db2.gz WHVWZQQMXJKBLE-ZDUSSCGKSA-N 0 0 298.386 3.258 20 10 CGCDRN C[C@@H](NC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775432754 628094658 /nfs/dbraw/zinc/09/46/58/628094658.db2.gz LNEMBZJFULUCQG-CYBMUJFWSA-N 0 0 275.396 3.009 20 10 CGCDRN CC1(C)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775689327 628126557 /nfs/dbraw/zinc/12/65/57/628126557.db2.gz DBORTMZIMBHFCK-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000775725700 628129366 /nfs/dbraw/zinc/12/93/66/628129366.db2.gz LXJLAOJWOYPYRT-QWRGUYRKSA-N 0 0 299.773 3.043 20 10 CGCDRN CC(C)c1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775830144 628140428 /nfs/dbraw/zinc/14/04/28/628140428.db2.gz DLMDVDNPTAEAHU-GFCCVEGCSA-N 0 0 288.395 3.110 20 10 CGCDRN Cc1c(NC(=O)NCc2ccccc2O)cccc1N(C)C ZINC000776034453 628160401 /nfs/dbraw/zinc/16/04/01/628160401.db2.gz VTPAZYKWUKLRIQ-UHFFFAOYSA-N 0 0 299.374 3.088 20 10 CGCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000776177514 628176428 /nfs/dbraw/zinc/17/64/28/628176428.db2.gz QSEVNSHTZZZOIO-KGLIPLIRSA-N 0 0 295.810 3.483 20 10 CGCDRN C[C@@H](NC(=O)NC1(C)CCC1)c1ccc(N(C)C)cc1 ZINC000776246837 628183489 /nfs/dbraw/zinc/18/34/89/628183489.db2.gz UTYDCUSEUMOHGZ-GFCCVEGCSA-N 0 0 275.396 3.055 20 10 CGCDRN C[C@H](NC(=O)N1CCC=C(F)C1)c1ccc(N(C)C)cc1 ZINC000776239103 628183738 /nfs/dbraw/zinc/18/37/38/628183738.db2.gz RBKBOTIJEMGCST-LBPRGKRZSA-N 0 0 291.370 3.082 20 10 CGCDRN CCC1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000776239609 628183953 /nfs/dbraw/zinc/18/39/53/628183953.db2.gz UUSXOJYKKLNNTK-CYBMUJFWSA-N 0 0 289.423 3.446 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cccc(F)n1 ZINC000776251825 628184528 /nfs/dbraw/zinc/18/45/28/628184528.db2.gz CKWUWMZYODNTBD-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN CN(C)c1ccc(NCc2cc(Cl)cc(F)c2O)nc1 ZINC000776250035 628184540 /nfs/dbraw/zinc/18/45/40/628184540.db2.gz DAPYDQONNRSZID-UHFFFAOYSA-N 0 0 295.745 3.258 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(N(C)C)cc1 ZINC000776271199 628187753 /nfs/dbraw/zinc/18/77/53/628187753.db2.gz ZIDGEWXVSZSOLG-JTQLQIEISA-N 0 0 290.388 3.011 20 10 CGCDRN O=C(OCc1ccccc1Cl)c1cccc(O)c1O ZINC000776284386 628188605 /nfs/dbraw/zinc/18/86/05/628188605.db2.gz XBQMIDFXGQMYIX-UHFFFAOYSA-N 0 0 278.691 3.108 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000779484342 628415564 /nfs/dbraw/zinc/41/55/64/628415564.db2.gz IGVPZSJHAOIEEQ-QPJJXVBHSA-N 0 0 295.338 3.009 20 10 CGCDRN COc1cccc(CN2CCCc3c(F)cccc32)c1O ZINC000780775997 628516178 /nfs/dbraw/zinc/51/61/78/628516178.db2.gz ZLUXDCDWJZRBAA-UHFFFAOYSA-N 0 0 287.334 3.493 20 10 CGCDRN CC/C(C)=C(\C)C(=O)NCCCSc1nccs1 ZINC000780938903 628525130 /nfs/dbraw/zinc/52/51/30/628525130.db2.gz FLJZLWKJJYHTKG-ZHACJKMWSA-N 0 0 284.450 3.488 20 10 CGCDRN Cc1ccc(C(=O)NC(C)(C)c2cccs2)c(O)c1O ZINC000780944735 628525677 /nfs/dbraw/zinc/52/56/77/628525677.db2.gz QPLCTZMCNJJNLY-UHFFFAOYSA-N 0 0 291.372 3.133 20 10 CGCDRN O=C(NC[C@H]1CCC[C@@H]1C1CC1)C1=CC(=O)CS1 ZINC000839804651 628548332 /nfs/dbraw/zinc/54/83/32/628548332.db2.gz BYJMNMNDBIXBGY-ZYHUDNBSSA-N 0 0 265.378 3.010 20 10 CGCDRN CN(C)c1cccc(NCc2c(O)cccc2Cl)[nH+]1 ZINC000781641200 628581459 /nfs/dbraw/zinc/58/14/59/628581459.db2.gz HFJGGUUEJGKEFZ-UHFFFAOYSA-N 0 0 277.755 3.119 20 10 CGCDRN O=C(OCc1cc(F)cc(F)c1)C1=CC(=O)CS1 ZINC000782275382 628632279 /nfs/dbraw/zinc/63/22/79/628632279.db2.gz OWOMSLLOWFTFDB-UHFFFAOYSA-N 0 0 270.256 3.089 20 10 CGCDRN COc1cccc(O)c1CNc1cnc2c(c1)CCCC2 ZINC000782384879 628643596 /nfs/dbraw/zinc/64/35/96/628643596.db2.gz GGVNUSZOLJCZAX-UHFFFAOYSA-N 0 0 284.359 3.287 20 10 CGCDRN O=C(NCCCC1CCCC1)N1Cc2cccc(O)c2C1 ZINC000875084645 634674747 /nfs/dbraw/zinc/67/47/47/634674747.db2.gz FJDYZONONGDYIZ-UHFFFAOYSA-N 0 0 288.391 3.388 20 10 CGCDRN C[C@H](Nc1cnn(-c2ccccn2)c1)c1ccccc1O ZINC000783523308 628721230 /nfs/dbraw/zinc/72/12/30/628721230.db2.gz HQNUMZYUXNPRER-LBPRGKRZSA-N 0 0 280.331 3.146 20 10 CGCDRN COc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783737017 628743832 /nfs/dbraw/zinc/74/38/32/628743832.db2.gz IDYZGGMERJROPX-AXFHLTTASA-N 0 0 299.798 3.052 20 10 CGCDRN COc1ccc(N(C)Cc2cncc(C)c2)cc1OC ZINC000785441956 628862588 /nfs/dbraw/zinc/86/25/88/628862588.db2.gz OPQUJWJDLNJWCI-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CCOc1ccc(O)c(CN[C@@H](C(C)C)C(F)(F)F)c1 ZINC000786841414 628966859 /nfs/dbraw/zinc/96/68/59/628966859.db2.gz PXGZCXWYUDEIKB-ZDUSSCGKSA-N 0 0 291.313 3.467 20 10 CGCDRN CC[C@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788606309 629069292 /nfs/dbraw/zinc/06/92/92/629069292.db2.gz ZNQHUSONYDXMDO-NXEZZACHSA-N 0 0 291.313 3.487 20 10 CGCDRN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccccc1O ZINC000788840714 629085706 /nfs/dbraw/zinc/08/57/06/629085706.db2.gz BRMCTNDYADGMHS-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000789557071 629144858 /nfs/dbraw/zinc/14/48/58/629144858.db2.gz FWMISXJKAMHRKR-CYBMUJFWSA-N 0 0 290.190 3.046 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(F)c1Cl ZINC000789996981 629177837 /nfs/dbraw/zinc/17/78/37/629177837.db2.gz WXPXKQHUQXILPN-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000790494412 629213638 /nfs/dbraw/zinc/21/36/38/629213638.db2.gz DMSHNBKFJLNPJR-DTWKUNHWSA-N 0 0 273.348 3.074 20 10 CGCDRN O=C(NCc1csc2ccccc12)c1cccc(O)c1O ZINC000790539445 629216611 /nfs/dbraw/zinc/21/66/11/629216611.db2.gz QXGQYYGLZWGKJH-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976848 629245429 /nfs/dbraw/zinc/24/54/29/629245429.db2.gz MYAOVKWAADHXFR-ZJUUUORDSA-N 0 0 287.762 3.089 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000790977665 629245470 /nfs/dbraw/zinc/24/54/70/629245470.db2.gz NBXTXEZFQVFOMJ-SSDOTTSWSA-N 0 0 279.689 3.462 20 10 CGCDRN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790988880 629247087 /nfs/dbraw/zinc/24/70/87/629247087.db2.gz FQRRWMPBVTVIRT-TVQRCGJNSA-N 0 0 287.762 3.089 20 10 CGCDRN CN(C)c1cc(F)c(CN(C)Cc2cccnc2)cc1F ZINC000862302538 629342757 /nfs/dbraw/zinc/34/27/57/629342757.db2.gz VRDFATWXBODASH-UHFFFAOYSA-N 0 0 291.345 3.058 20 10 CGCDRN O=C(NC[C@@H]1CCC2(CCCCC2)O1)C1=CC(=O)CS1 ZINC000792515305 629362180 /nfs/dbraw/zinc/36/21/80/629362180.db2.gz OKUMZOFCCDTKMU-LBPRGKRZSA-N 0 0 295.404 3.065 20 10 CGCDRN O=C(NC[C@H]1CCC2(CCCCC2)O1)C1=CC(=O)CS1 ZINC000792515304 629362438 /nfs/dbraw/zinc/36/24/38/629362438.db2.gz OKUMZOFCCDTKMU-GFCCVEGCSA-N 0 0 295.404 3.065 20 10 CGCDRN CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCOC1 ZINC000862403224 629364494 /nfs/dbraw/zinc/36/44/94/629364494.db2.gz NENVPKAZJRPLTE-CYBMUJFWSA-N 0 0 298.377 3.032 20 10 CGCDRN CN(C)c1ccc(Cn2cnc3c2CCCC3)cc1F ZINC000862430594 629370770 /nfs/dbraw/zinc/37/07/70/629370770.db2.gz BMLKIWWJLDFACV-UHFFFAOYSA-N 0 0 273.355 3.015 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2Cc3ccc(O)cc3C2)cc1 ZINC000862451680 629381672 /nfs/dbraw/zinc/38/16/72/629381672.db2.gz PKPCVLGKUUWNLT-ARJAWSKDSA-N 0 0 294.398 3.487 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000862756920 629429938 /nfs/dbraw/zinc/42/99/38/629429938.db2.gz ASPYJTLFRWBOBF-STQMWFEESA-N 0 0 275.392 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cccc(C(C)C)n2)c1 ZINC000862757861 629430776 /nfs/dbraw/zinc/43/07/76/629430776.db2.gz GVDRTOFHYHMUAO-UHFFFAOYSA-N 0 0 284.359 3.149 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccc(OC)cc1O)C(C)C ZINC000794373808 629537693 /nfs/dbraw/zinc/53/76/93/629537693.db2.gz MGMTYTLNGMBWGV-LBPRGKRZSA-N 0 0 279.380 3.089 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794842942 629586907 /nfs/dbraw/zinc/58/69/07/629586907.db2.gz UIDIHDMCFFTASC-GRYCIOLGSA-N 0 0 278.352 3.387 20 10 CGCDRN COc1cc(Cl)ccc1COC(=O)C1=CC(=O)CS1 ZINC000795506975 629684527 /nfs/dbraw/zinc/68/45/27/629684527.db2.gz QNRHOKCHQSVQNP-UHFFFAOYSA-N 0 0 298.747 3.473 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000863875560 629688271 /nfs/dbraw/zinc/68/82/71/629688271.db2.gz ALFLRFQASRGVHI-HZPDHXFCSA-N 0 0 298.386 3.074 20 10 CGCDRN C[C@@H](Nc1cccc(-n2nccn2)c1)c1cc(F)ccc1O ZINC000864023864 629728479 /nfs/dbraw/zinc/72/84/79/629728479.db2.gz SOOTUMRMIVKMBN-LLVKDONJSA-N 0 0 298.321 3.285 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(C)n2)cc1Cl ZINC000796441213 629781137 /nfs/dbraw/zinc/78/11/37/629781137.db2.gz IMABREMKDNXKQK-UHFFFAOYSA-N 0 0 277.755 3.083 20 10 CGCDRN CCc1cc(NCc2cc3c(cc2O)OCO3)ccc1F ZINC000796455408 629783464 /nfs/dbraw/zinc/78/34/64/629783464.db2.gz XBPKDDDNGJEWTC-UHFFFAOYSA-N 0 0 289.306 3.435 20 10 CGCDRN CC[C@H]([NH2+]CCc1ccco1)c1ccc(F)cc1[O-] ZINC000796673611 629813799 /nfs/dbraw/zinc/81/37/99/629813799.db2.gz SPMLVRPMHNIOBH-AWEZNQCLSA-N 0 0 263.312 3.408 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000796703401 629817523 /nfs/dbraw/zinc/81/75/23/629817523.db2.gz UINOOERPLQRXSF-CJNGLKHVSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H](Nc1cnn(C)c1C)c1ccc(F)cc1O ZINC000796901559 629856797 /nfs/dbraw/zinc/85/67/97/629856797.db2.gz XKPKEUAZSAABJL-LBPRGKRZSA-N 0 0 263.316 3.136 20 10 CGCDRN CC[C@@H]([NH2+]CCN(C)C(C)C)c1cccc(Cl)c1[O-] ZINC000806138170 629924950 /nfs/dbraw/zinc/92/49/50/629924950.db2.gz WUWLXKNAKOPNTN-CQSZACIVSA-N 0 0 284.831 3.427 20 10 CGCDRN C[C@H](NC(=S)N[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000865269185 630041178 /nfs/dbraw/zinc/04/11/78/630041178.db2.gz CJQPTXLSTJQSFO-DYEKYZERSA-N 0 0 292.448 3.496 20 10 CGCDRN C[C@@H](NC(=S)N[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000865269188 630041201 /nfs/dbraw/zinc/04/12/01/630041201.db2.gz CJQPTXLSTJQSFO-OUCADQQQSA-N 0 0 292.448 3.496 20 10 CGCDRN C[C@H]1C[C@@H]1c1nnc(NCc2c(O)ccc(Cl)c2F)o1 ZINC000865294939 630057152 /nfs/dbraw/zinc/05/71/52/630057152.db2.gz VRCBBLJKCKBUSK-BQBZGAKWSA-N 0 0 297.717 3.303 20 10 CGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)C(C)(C)C)s1 ZINC000865369193 630079835 /nfs/dbraw/zinc/07/98/35/630079835.db2.gz MQVRHYMOKDONOX-SSDOTTSWSA-N 0 0 287.406 3.026 20 10 CGCDRN Clc1cnc(SCc2nc(CC3CC3)no2)s1 ZINC000865372878 630081556 /nfs/dbraw/zinc/08/15/56/630081556.db2.gz 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/nfs/dbraw/zinc/36/01/95/630360195.db2.gz ZNXSHZQWWLAVBW-LBPRGKRZSA-N 0 0 295.390 3.207 20 10 CGCDRN Cc1cc(O)c(CNc2cnn3c2CCCC3)c(Cl)c1 ZINC000865708692 630399062 /nfs/dbraw/zinc/39/90/62/630399062.db2.gz WKGNJVDHOLMWFP-UHFFFAOYSA-N 0 0 291.782 3.499 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc2c(c1)CCC=C2 ZINC000802776796 630410374 /nfs/dbraw/zinc/41/03/74/630410374.db2.gz ABFUAUXNXLNPLI-UHFFFAOYSA-N 0 0 279.339 3.282 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806169084 630552157 /nfs/dbraw/zinc/55/21/57/630552157.db2.gz HYIVOPXMQBFQGT-ZANVPECISA-N 0 0 264.325 3.140 20 10 CGCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc(C(F)F)cc1 ZINC000808066125 630620801 /nfs/dbraw/zinc/62/08/01/630620801.db2.gz GZXREZABGRHOMT-UHFFFAOYSA-N 0 0 299.298 3.131 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(CC)CCCC1 ZINC000808094144 630621908 /nfs/dbraw/zinc/62/19/08/630621908.db2.gz CKEOHOBEPKJGFY-UHFFFAOYSA-N 0 0 296.407 3.465 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)C(C)(F)F)cc1 ZINC000808453342 630646955 /nfs/dbraw/zinc/64/69/55/630646955.db2.gz CVSMEUVGYODFAX-UHFFFAOYSA-N 0 0 284.350 3.146 20 10 CGCDRN CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000808733220 630672744 /nfs/dbraw/zinc/67/27/44/630672744.db2.gz STDYZDNIGDMFJN-QWHCGFSZSA-N 0 0 282.403 3.302 20 10 CGCDRN Cc1cc(=O)oc2cc(N(C)Cc3ccccc3O)ccc12 ZINC000809724709 630793029 /nfs/dbraw/zinc/79/30/29/630793029.db2.gz WDSCYJSVAGDDFM-UHFFFAOYSA-N 0 0 295.338 3.443 20 10 CGCDRN CCN(CC)c1ccc(CN2CCOCC(F)(F)C2)cc1 ZINC000809787375 630808497 /nfs/dbraw/zinc/80/84/97/630808497.db2.gz APMURQUYCKAQJE-UHFFFAOYSA-N 0 0 298.377 3.000 20 10 CGCDRN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810244265 630858116 /nfs/dbraw/zinc/85/81/16/630858116.db2.gz BODJNVHYYRIPOQ-QWRGUYRKSA-N 0 0 286.366 3.050 20 10 CGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1cccc(OC)c1O ZINC000878666473 635597050 /nfs/dbraw/zinc/59/70/50/635597050.db2.gz BUOZQUQYGCHZQE-DYVFJYSZSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1ccc2c(c1)/C(=C\c1ccc(F)nc1)C(=O)N2C 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CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1O ZINC000840276742 631338838 /nfs/dbraw/zinc/33/88/38/631338838.db2.gz NILJRNJCEVKWGZ-UONOGXRCSA-N 0 0 290.407 3.406 20 10 CGCDRN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815615868 631807061 /nfs/dbraw/zinc/80/70/61/631807061.db2.gz ZPUJCFOPUWFXEC-GUBZILKMSA-N 0 0 291.313 3.221 20 10 CGCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815627844 631808644 /nfs/dbraw/zinc/80/86/44/631808644.db2.gz LDNLDKZTKWTVFZ-BBBLOLIVSA-N 0 0 291.313 3.485 20 10 CGCDRN C[C@H]1C[C@H](NCC(C)(F)F)c2c1c(F)ccc2O ZINC000815644504 631811410 /nfs/dbraw/zinc/81/14/10/631811410.db2.gz DASYIDSWYQNQIH-CBAPKCEASA-N 0 0 259.271 3.324 20 10 CGCDRN C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCCO1 ZINC000816484756 631989600 /nfs/dbraw/zinc/98/96/00/631989600.db2.gz NNHJOPPEKWTQAW-OAHLLOKOSA-N 0 0 271.360 3.156 20 10 CGCDRN CCC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000816513083 631997539 /nfs/dbraw/zinc/99/75/39/631997539.db2.gz GCYSYANFJMNSOW-NSHDSACASA-N 0 0 287.762 3.186 20 10 CGCDRN CO[C@@H](C)C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816515370 631999991 /nfs/dbraw/zinc/99/99/91/631999991.db2.gz XXJHHZPRAXNLAF-JTQLQIEISA-N 0 0 289.778 3.430 20 10 CGCDRN C[N@H+](Cc1ccc[nH]1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816519832 632002315 /nfs/dbraw/zinc/00/23/15/632002315.db2.gz XNDPGZIEPGHBAE-UHFFFAOYSA-N 0 0 268.719 3.145 20 10 CGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](CO)C(C)(C)C ZINC000816518864 632002395 /nfs/dbraw/zinc/00/23/95/632002395.db2.gz PRXZSIWBFXMTLE-ZDUSSCGKSA-N 0 0 289.778 3.024 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccccc1O ZINC000816544972 632007580 /nfs/dbraw/zinc/00/75/80/632007580.db2.gz YWXHEASSFHPFGP-UHFFFAOYSA-N 0 0 295.741 3.223 20 10 CGCDRN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554366 632010665 /nfs/dbraw/zinc/01/06/65/632010665.db2.gz WTZIALRYADSWIQ-GXSJLCMTSA-N 0 0 289.778 3.071 20 10 CGCDRN COc1ccc(F)c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000816566144 632014612 /nfs/dbraw/zinc/01/46/12/632014612.db2.gz MFKHVRIZTJTHHJ-UHFFFAOYSA-N 0 0 289.306 3.199 20 10 CGCDRN CCSCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816599140 632021193 /nfs/dbraw/zinc/02/11/93/632021193.db2.gz DKANEMOSANDTIJ-UHFFFAOYSA-N 0 0 277.792 3.418 20 10 CGCDRN CCC[C@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOC1 ZINC000816608527 632022494 /nfs/dbraw/zinc/02/24/94/632022494.db2.gz BNNYTXFJDGRVKQ-AWEZNQCLSA-N 0 0 287.762 3.234 20 10 CGCDRN Cc1ccc(O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000816822223 632054993 /nfs/dbraw/zinc/05/49/93/632054993.db2.gz CVRLXZOAOPCFRF-UHFFFAOYSA-N 0 0 298.386 3.039 20 10 CGCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)c1cccs1 ZINC000127697948 635769875 /nfs/dbraw/zinc/76/98/75/635769875.db2.gz LCTKMMTZCJIACO-UHFFFAOYSA-N 0 0 289.404 3.430 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CN)c1cc(Cl)cc(Cl)c1[O-] ZINC000817970165 632263200 /nfs/dbraw/zinc/26/32/00/632263200.db2.gz MUSFFHKDYWESGW-WRWORJQWSA-N 0 0 277.195 3.087 20 10 CGCDRN CC(C)(C)C1CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000818141787 632291492 /nfs/dbraw/zinc/29/14/92/632291492.db2.gz DLWRCKNMNDFCAA-FNORWQNLSA-N 0 0 289.375 3.052 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000818355340 632312887 /nfs/dbraw/zinc/31/28/87/632312887.db2.gz CWFLGFOGDVHOEO-QCZZGDTMSA-N 0 0 276.336 3.140 20 10 CGCDRN Cc1ccc(C(=O)N2CC(C3CCCCC3)C2)c(O)c1O ZINC000819010055 632364295 /nfs/dbraw/zinc/36/42/95/632364295.db2.gz VJJDAFNMSSWJOT-UHFFFAOYSA-N 0 0 289.375 3.059 20 10 CGCDRN CC(C)COc1ccccc1NC[C@H](O)CC(F)(F)F ZINC000819416804 632454739 /nfs/dbraw/zinc/45/47/39/632454739.db2.gz SGAZGTBDEQHKCE-LLVKDONJSA-N 0 0 291.313 3.447 20 10 CGCDRN CC(C)COc1ccccc1NC[C@@H](O)CCOC(C)C ZINC000819417102 632454938 /nfs/dbraw/zinc/45/49/38/632454938.db2.gz UOWJCJWHAZCMQP-HNNXBMFYSA-N 0 0 295.423 3.309 20 10 CGCDRN COc1ccc(N2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000819937088 632540832 /nfs/dbraw/zinc/54/08/32/632540832.db2.gz ZHZHFKXYZCRUBE-AWEZNQCLSA-N 0 0 283.375 3.029 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)/C=C/[C@@H]3CCCO3)cc12 ZINC000821435163 632772677 /nfs/dbraw/zinc/77/26/77/632772677.db2.gz VJHBMFFZIASSTA-KGXGESDWSA-N 0 0 299.370 3.436 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cncn1C(C)C ZINC000822470523 632938579 /nfs/dbraw/zinc/93/85/79/632938579.db2.gz RKJHDNIPYGRRCD-UHFFFAOYSA-N 0 0 285.391 3.425 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CC(CC(F)F)C1 ZINC000822521028 632955736 /nfs/dbraw/zinc/95/57/36/632955736.db2.gz VYQBVKVPFGUZMQ-UHFFFAOYSA-N 0 0 279.689 3.272 20 10 CGCDRN CCc1cc(C)nc(N[C@H](C)c2ccccc2O)n1 ZINC000866236405 633037763 /nfs/dbraw/zinc/03/77/63/633037763.db2.gz ASBGHSNVFQOYAA-LLVKDONJSA-N 0 0 257.337 3.226 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866401702 633123820 /nfs/dbraw/zinc/12/38/20/633123820.db2.gz DSABMEAIDYMOAM-MNOVXSKESA-N 0 0 296.392 3.094 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C(F)F)CCC2)c1 ZINC000866763226 633240309 /nfs/dbraw/zinc/24/03/09/633240309.db2.gz CJNXFHQWSGJOJG-VIFPVBQESA-N 0 0 299.317 3.013 20 10 CGCDRN CCC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000121632638 633245726 /nfs/dbraw/zinc/24/57/26/633245726.db2.gz NKNOJQRBQHTTBD-UHFFFAOYSA-N 0 0 277.412 3.049 20 10 CGCDRN CCCc1ccc(C(=O)NCCc2ccc(N)cc2)s1 ZINC000867964021 633282815 /nfs/dbraw/zinc/28/28/15/633282815.db2.gz SEJZHLYTJTYHIG-UHFFFAOYSA-N 0 0 288.416 3.255 20 10 CGCDRN CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824783435 633289945 /nfs/dbraw/zinc/28/99/45/633289945.db2.gz MGPOJZYCTGOINL-BDAKNGLRSA-N 0 0 257.736 3.320 20 10 CGCDRN C[C@@H](NC(=O)NCCC(C)(C)C)c1ccccc1O ZINC000868048518 633291972 /nfs/dbraw/zinc/29/19/72/633291972.db2.gz AOQBYAYPIMXMRR-LLVKDONJSA-N 0 0 264.369 3.189 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CC12CCCC2)c1ccccc1O ZINC000868540546 633333997 /nfs/dbraw/zinc/33/39/97/633333997.db2.gz JLVKYOJZSLORLR-SMDDNHRTSA-N 0 0 274.364 3.085 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CCCCS1)c1ccccc1O ZINC000868551678 633335075 /nfs/dbraw/zinc/33/50/75/633335075.db2.gz UNQRCPOSNQLTKN-NEPJUHHUSA-N 0 0 294.420 3.038 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CCC[C@@H]1C)c1ccccc1O ZINC000868578292 633338805 /nfs/dbraw/zinc/33/88/05/633338805.db2.gz ZQKLJGQUIFYTCH-AVGNSLFASA-N 0 0 276.380 3.189 20 10 CGCDRN C[C@H](NC(=O)NCCC1CC(F)(F)C1)c1ccccc1O ZINC000868690972 633352089 /nfs/dbraw/zinc/35/20/89/633352089.db2.gz QWBPROGHSRCMAJ-JTQLQIEISA-N 0 0 298.333 3.188 20 10 CGCDRN CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000868784784 633363076 /nfs/dbraw/zinc/36/30/76/633363076.db2.gz ZTZOEJHVIBGNDN-XHDPSFHLSA-N 0 0 276.380 3.187 20 10 CGCDRN CCC[C@@H](CC(C)C)C(=O)NCc1cc(OC)ccc1O ZINC000825838687 633383123 /nfs/dbraw/zinc/38/31/23/633383123.db2.gz FIYKGPFARNOAKP-ZDUSSCGKSA-N 0 0 293.407 3.479 20 10 CGCDRN C[C@H](NC(=O)NCC[C@@H]1CCCS1)c1ccccc1O ZINC000868973245 633386232 /nfs/dbraw/zinc/38/62/32/633386232.db2.gz RJNMLFUISIXZDM-RYUDHWBXSA-N 0 0 294.420 3.038 20 10 CGCDRN Cc1cc(O)c(CN[C@H](C)C(F)(F)F)cc1Cl ZINC000825939524 633389500 /nfs/dbraw/zinc/38/95/00/633389500.db2.gz BXCKACHRTFZUTI-SSDOTTSWSA-N 0 0 267.678 3.394 20 10 CGCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000826043604 633399996 /nfs/dbraw/zinc/39/99/96/633399996.db2.gz LXXGRGWLHFUENR-VXGBXAGGSA-N 0 0 267.394 3.398 20 10 CGCDRN Cn1cnc(/C=C\C(=O)N(CC2CC2)c2cccc(F)c2)c1 ZINC000827818912 633521146 /nfs/dbraw/zinc/52/11/46/633521146.db2.gz JKUPHAHNTCYXOC-FPLPWBNLSA-N 0 0 299.349 3.016 20 10 CGCDRN C[C@@H](NC(=O)CO[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000827937082 633536952 /nfs/dbraw/zinc/53/69/52/633536952.db2.gz JZBRJLXBTYMSJY-XJKCOSOUSA-N 0 0 291.391 3.165 20 10 CGCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1csnn1 ZINC000827939135 633537539 /nfs/dbraw/zinc/53/75/39/633537539.db2.gz ZBMLFYDPLNFNNQ-NSHDSACASA-N 0 0 277.393 3.217 20 10 CGCDRN Cc1nc(C(C)C)oc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946280 633537921 /nfs/dbraw/zinc/53/79/21/633537921.db2.gz CIYHDGCIHCDFHH-SNVBAGLBSA-N 0 0 288.347 3.303 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1OCc2ccccc21)c1ccccc1O ZINC000827952228 633538978 /nfs/dbraw/zinc/53/89/78/633538978.db2.gz KIOCEMLPVSFOGG-PXAZEXFGSA-N 0 0 297.354 3.231 20 10 CGCDRN CO[C@H]1CCC[C@H](CC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000827963886 633541223 /nfs/dbraw/zinc/54/12/23/633541223.db2.gz DFPABZOLRPJACO-IHRRRGAJSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)c1cccc2c1O[C@@H](C)C2)c1ccccc1O ZINC000827960744 633541318 /nfs/dbraw/zinc/54/13/18/633541318.db2.gz WOPLIARTUCRXKM-RYUDHWBXSA-N 0 0 297.354 3.207 20 10 CGCDRN CC[C@@H](Nc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978411 633544486 /nfs/dbraw/zinc/54/44/86/633544486.db2.gz RZWANPLYKPQRIK-XJKSGUPXSA-N 0 0 298.386 3.460 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204756 633724746 /nfs/dbraw/zinc/72/47/46/633724746.db2.gz JTRVUTACFVEAIQ-DGCLKSJQSA-N 0 0 259.349 3.061 20 10 CGCDRN COc1cc(C)cc(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC000871206829 633726526 /nfs/dbraw/zinc/72/65/26/633726526.db2.gz FTXGDOYLOHWPOK-UHFFFAOYSA-N 0 0 297.354 3.174 20 10 CGCDRN CN(C)c1ccc(OCc2nc3c(o2)CCCC3)cc1 ZINC000871745390 633849746 /nfs/dbraw/zinc/84/97/46/633849746.db2.gz LRNYFSUXTBKOGU-UHFFFAOYSA-N 0 0 272.348 3.198 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)NCC(C)(C)C ZINC000871846460 633892461 /nfs/dbraw/zinc/89/24/61/633892461.db2.gz OQNJXTRACPGHJH-UHFFFAOYSA-N 0 0 277.412 3.081 20 10 CGCDRN CC(C)Nc1ccccc1NCc1nc(C2CC2)nn1C ZINC000871846095 633892482 /nfs/dbraw/zinc/89/24/82/633892482.db2.gz QXNCHXIMTBYDHP-UHFFFAOYSA-N 0 0 285.395 3.125 20 10 CGCDRN Nc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000019277678 633920165 /nfs/dbraw/zinc/92/01/65/633920165.db2.gz XOOALAFTIQUJQN-UHFFFAOYSA-N 0 0 264.687 3.314 20 10 CGCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(O)ccc1F ZINC000872031618 633950402 /nfs/dbraw/zinc/95/04/02/633950402.db2.gz RKFGZJZPFJTYGY-LLVKDONJSA-N 0 0 287.334 3.317 20 10 CGCDRN CCOC(CN(CC1CC1)c1ccc(OC)cc1)OCC ZINC000831587750 633980057 /nfs/dbraw/zinc/98/00/57/633980057.db2.gz JYWXGIIREUHWOA-UHFFFAOYSA-N 0 0 293.407 3.311 20 10 CGCDRN C/C(=C/C(=O)N1CCc2cc(C)c(C)cc21)c1cnccn1 ZINC000832347906 634051695 /nfs/dbraw/zinc/05/16/95/634051695.db2.gz DCMIWWAPJCNQCX-UVTDQMKNSA-N 0 0 293.370 3.086 20 10 CGCDRN CCn1ncc(N[C@H](C)c2ccc(F)cc2O)c1C ZINC000872136110 634059146 /nfs/dbraw/zinc/05/91/46/634059146.db2.gz CNMNCTYXKXZEFY-SECBINFHSA-N 0 0 263.316 3.229 20 10 CGCDRN CCn1ncc(N[C@H](C)c2cc(F)ccc2O)c1C ZINC000872136559 634060322 /nfs/dbraw/zinc/06/03/22/634060322.db2.gz GJLWURJSQWQWID-SECBINFHSA-N 0 0 263.316 3.229 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C1CC1)C1CC1 ZINC000124074327 634125129 /nfs/dbraw/zinc/12/51/29/634125129.db2.gz YKOVFDFKIVFIFV-UHFFFAOYSA-N 0 0 286.419 3.113 20 10 CGCDRN Cc1c(F)ncnc1NCc1ccc(N2CCCC2)cc1 ZINC000872409040 634136711 /nfs/dbraw/zinc/13/67/11/634136711.db2.gz RCQMXMGTEKGVME-UHFFFAOYSA-N 0 0 286.354 3.136 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@]2(C)CC(C)C)c(O)c1O ZINC000834333289 634145332 /nfs/dbraw/zinc/14/53/32/634145332.db2.gz JEAOEEGKVUXDTL-KRWDZBQOSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834880843 634264610 /nfs/dbraw/zinc/26/46/10/634264610.db2.gz DNHICNZPKWUZNM-MRVPVSSYSA-N 0 0 298.358 3.329 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000834889249 634267343 /nfs/dbraw/zinc/26/73/43/634267343.db2.gz VRKFAIVWZZMVBJ-XDTLVQLUSA-N 0 0 271.788 3.246 20 10 CGCDRN C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cc(Cl)ccc1O ZINC000834903080 634280262 /nfs/dbraw/zinc/28/02/62/634280262.db2.gz IAFJPVPAFJWKMA-RNCFNFMXSA-N 0 0 269.772 3.121 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000834906655 634282021 /nfs/dbraw/zinc/28/20/21/634282021.db2.gz RIYHFJZHJIWYJE-FWDPORAESA-N 0 0 267.319 3.367 20 10 CGCDRN CCc1nn(C)cc1NC/C=C\c1ccc(N(C)C)cc1 ZINC000835041749 634329684 /nfs/dbraw/zinc/32/96/84/634329684.db2.gz AHDXCDGKFYERMS-SREVYHEPSA-N 0 0 284.407 3.174 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CCC=C(F)C2)cc1 ZINC000835044526 634331748 /nfs/dbraw/zinc/33/17/48/634331748.db2.gz LFFWBWKIJSUDEH-HWKANZROSA-N 0 0 260.356 3.325 20 10 CGCDRN CCO[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124497081 634347756 /nfs/dbraw/zinc/34/77/56/634347756.db2.gz PCONOZVUNXVLTJ-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN CC(C)(C)OC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876636084 634872277 /nfs/dbraw/zinc/87/22/77/634872277.db2.gz QJYQXIDFMSKVSN-UHFFFAOYSA-N 0 0 299.361 3.450 20 10 CGCDRN Nc1ccc(CNC(=O)c2sccc2C2CC2)cc1 ZINC000837303303 634882185 /nfs/dbraw/zinc/88/21/85/634882185.db2.gz FKZLRAUWOOYNQE-UHFFFAOYSA-N 0 0 272.373 3.138 20 10 CGCDRN Cc1ccc(OCCCC(=O)NCc2ccc(N)cc2)cc1 ZINC000837303321 634882934 /nfs/dbraw/zinc/88/29/34/634882934.db2.gz GXXBCCFRFTUZLA-UHFFFAOYSA-N 0 0 298.386 3.053 20 10 CGCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc(C)cc1O)C2 ZINC000876715669 634885956 /nfs/dbraw/zinc/88/59/56/634885956.db2.gz PELDAOPAUBNWPT-UHFFFAOYSA-N 0 0 297.354 3.003 20 10 CGCDRN Cc1ccc(C[N@@H+]2CCSC(C)(C)C2)c(O)c1 ZINC000876748254 634891875 /nfs/dbraw/zinc/89/18/75/634891875.db2.gz ZMIASSYMNFGKPN-UHFFFAOYSA-N 0 0 251.395 3.028 20 10 CGCDRN CN(C)c1ccc(CNCc2nc(Cl)cs2)cc1 ZINC000876906198 634926300 /nfs/dbraw/zinc/92/63/00/634926300.db2.gz SXKDLXQBYZRWAT-UHFFFAOYSA-N 0 0 281.812 3.152 20 10 CGCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000876993640 634945435 /nfs/dbraw/zinc/94/54/35/634945435.db2.gz LZXPCQZZXWDMNJ-ROUUACIJSA-N 0 0 294.398 3.120 20 10 CGCDRN Cc1ccc(CO[C@H](C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877074519 634972366 /nfs/dbraw/zinc/97/23/66/634972366.db2.gz NAPOWDSNKJMHDT-CQSZACIVSA-N 0 0 298.386 3.145 20 10 CGCDRN CN(C(=O)[C@]1(C)CCc2ccccc2C1)c1ccc(N)cc1 ZINC000877077681 634975148 /nfs/dbraw/zinc/97/51/48/634975148.db2.gz QVDJKSRGJKMTGK-LJQANCHMSA-N 0 0 294.398 3.427 20 10 CGCDRN CN(C(=O)C1(c2cccc(F)c2)CCC1)c1ccc(N)cc1 ZINC000877081137 634976471 /nfs/dbraw/zinc/97/64/71/634976471.db2.gz VMTAAKKGFJOESR-UHFFFAOYSA-N 0 0 298.361 3.493 20 10 CGCDRN C/C=C/C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000877118677 634989662 /nfs/dbraw/zinc/98/96/62/634989662.db2.gz JPKMOVJXNIFVSM-FAAWYNLUSA-N 0 0 272.392 3.016 20 10 CGCDRN CCCOc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000126381151 635006439 /nfs/dbraw/zinc/00/64/39/635006439.db2.gz QYALBAXVOZHNRF-UHFFFAOYSA-N 0 0 287.315 3.139 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(F)c2N)cc1OC ZINC000877342277 635028539 /nfs/dbraw/zinc/02/85/39/635028539.db2.gz LHOCSSSDMOISJB-UHFFFAOYSA-N 0 0 290.338 3.062 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc2c1OCC[C@@H]2O ZINC000877377273 635031690 /nfs/dbraw/zinc/03/16/90/635031690.db2.gz FXLWTSXHCAMDIR-INIZCTEOSA-N 0 0 285.343 3.129 20 10 CGCDRN Cc1ccc(CNc2cnn([C@H](C)C3CC3)c2)c(O)c1 ZINC000877426700 635039710 /nfs/dbraw/zinc/03/97/10/635039710.db2.gz QEFNTWFGHJFNBJ-GFCCVEGCSA-N 0 0 271.364 3.480 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccn(CC(F)F)n1 ZINC000840935032 635085166 /nfs/dbraw/zinc/08/51/66/635085166.db2.gz BVQXDZGTEBGSMS-UHFFFAOYSA-N 0 0 294.349 3.135 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@H]1CCCC1(F)F ZINC000840945705 635089032 /nfs/dbraw/zinc/08/90/32/635089032.db2.gz WBECZMLSKDGMGZ-AWEZNQCLSA-N 0 0 268.351 3.338 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CS1 ZINC000840958119 635093463 /nfs/dbraw/zinc/09/34/63/635093463.db2.gz IYFUKJIAZKDFMX-XVKPBYJWSA-N 0 0 275.776 3.168 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](O)C(C)C ZINC000840968934 635095887 /nfs/dbraw/zinc/09/58/87/635095887.db2.gz WNWQQBXQFUGQGO-QWHCGFSZSA-N 0 0 289.778 3.070 20 10 CGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@H]2CCCC[C@@H]12 ZINC000841295909 635148432 /nfs/dbraw/zinc/14/84/32/635148432.db2.gz JEBJLFPYMLHWHW-UGFHNGPFSA-N 0 0 273.380 3.311 20 10 CGCDRN C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(N)cc3)C2)C1 ZINC000841296170 635148466 /nfs/dbraw/zinc/14/84/66/635148466.db2.gz POTUWEPUBLKBLC-LRDDRELGSA-N 0 0 273.380 3.313 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCc3ccccc3CC2)cc1 ZINC000841297909 635149313 /nfs/dbraw/zinc/14/93/13/635149313.db2.gz KFDZCTMUADGBQC-UHFFFAOYSA-N 0 0 295.386 3.292 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@@]3(CCSC3)C2)cc1 ZINC000841298226 635150132 /nfs/dbraw/zinc/15/01/32/635150132.db2.gz OGDNZYHFHWIRKI-OAHLLOKOSA-N 0 0 291.420 3.020 20 10 CGCDRN CC[C@](C)(NC(=O)Nc1ccc(N)cc1)c1nccs1 ZINC000841300218 635150139 /nfs/dbraw/zinc/15/01/39/635150139.db2.gz NBFZZDLAGQVDRF-AWEZNQCLSA-N 0 0 290.392 3.172 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000841301226 635150687 /nfs/dbraw/zinc/15/06/87/635150687.db2.gz GLEIAHSSXHIZEX-CYBMUJFWSA-N 0 0 271.320 3.061 20 10 CGCDRN COc1cc(C)c(C[N@@H+]2Cc3cccc(O)c3C2)cc1OC ZINC000877702947 635154305 /nfs/dbraw/zinc/15/43/05/635154305.db2.gz LHTXKKQURVLWRU-UHFFFAOYSA-N 0 0 299.370 3.234 20 10 CGCDRN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC1(C)C ZINC000841452155 635177909 /nfs/dbraw/zinc/17/79/09/635177909.db2.gz ZCMFYFIFLJZGFH-DZTBXEGKSA-N 0 0 289.375 3.052 20 10 CGCDRN COCCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743863 635222058 /nfs/dbraw/zinc/22/20/58/635222058.db2.gz CQPXNILJHGMDHG-SNVBAGLBSA-N 0 0 257.761 3.123 20 10 CGCDRN C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(Cl)cc1[O-] ZINC000841750750 635225964 /nfs/dbraw/zinc/22/59/64/635225964.db2.gz ANSPMOMUIMCIAJ-JTQLQIEISA-N 0 0 269.772 3.001 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC(C)C ZINC000841755011 635229033 /nfs/dbraw/zinc/22/90/33/635229033.db2.gz FNCPLJJIVYHJRD-CMPLNLGQSA-N 0 0 287.350 3.382 20 10 CGCDRN C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756927 635230249 /nfs/dbraw/zinc/23/02/49/635230249.db2.gz LPFGRWXCIHAKLV-GHMZBOCLSA-N 0 0 293.798 3.061 20 10 CGCDRN CC[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841953756 635251721 /nfs/dbraw/zinc/25/17/21/635251721.db2.gz CGJCTFXFRCTIRV-AWEZNQCLSA-N 0 0 289.423 3.033 20 10 CGCDRN COc1ncccc1COc1ccc(N2CCCC2)cc1 ZINC000842034180 635261063 /nfs/dbraw/zinc/26/10/63/635261063.db2.gz QIVLBNWVXAZIQA-UHFFFAOYSA-N 0 0 284.359 3.269 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCO[C@@H]2C)cc1Cl ZINC000878187397 635401271 /nfs/dbraw/zinc/40/12/71/635401271.db2.gz YMPPDOKMBORHJC-MNOVXSKESA-N 0 0 269.772 3.210 20 10 CGCDRN COc1cccc(CNc2n[nH]c(C(C)C)c2C)c1O ZINC000842748340 635458148 /nfs/dbraw/zinc/45/81/48/635458148.db2.gz BJNJGIJDGWGRJY-UHFFFAOYSA-N 0 0 275.352 3.168 20 10 CGCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1cc2n(n1)CCCC2 ZINC000842826130 635484069 /nfs/dbraw/zinc/48/40/69/635484069.db2.gz FQXCLYYMWZGKHO-AWEZNQCLSA-N 0 0 298.434 3.136 20 10 CGCDRN C[C@@H](Nc1ccc2c(c1)nnn2C)c1ccc(N(C)C)cc1 ZINC000842904231 635511176 /nfs/dbraw/zinc/51/11/76/635511176.db2.gz SKTRJVRECSCJIJ-GFCCVEGCSA-N 0 0 295.390 3.207 20 10 CGCDRN CC[C@H](SC)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158368 635587680 /nfs/dbraw/zinc/58/76/80/635587680.db2.gz CBJPKJBUOUOCOV-NSHDSACASA-N 0 0 263.366 3.057 20 10 CGCDRN Nc1ccc(Cc2noc([C@H]3CC=CCC3)n2)cc1 ZINC000843158963 635588795 /nfs/dbraw/zinc/58/87/95/635588795.db2.gz JKYWWYKOCBSVLW-LBPRGKRZSA-N 0 0 255.321 3.066 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CC34CCCC4)n2)cc1 ZINC000843160402 635588955 /nfs/dbraw/zinc/58/89/55/635588955.db2.gz XTBSDSAKTZXFES-ZDUSSCGKSA-N 0 0 269.348 3.290 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000843819677 635784542 /nfs/dbraw/zinc/78/45/42/635784542.db2.gz FLYJZERETZTAOH-UONOGXRCSA-N 0 0 275.392 3.423 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000844353293 635877196 /nfs/dbraw/zinc/87/71/96/635877196.db2.gz LKRYHBFOJVNKGF-VIFPVBQESA-N 0 0 260.164 3.325 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NCC1=CCCCC1 ZINC000845226280 636016098 /nfs/dbraw/zinc/01/60/98/636016098.db2.gz MYYNDRHOQFSYRZ-UHFFFAOYSA-N 0 0 294.782 3.345 20 10 CGCDRN CCCC(C)(C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000845832623 636104645 /nfs/dbraw/zinc/10/46/45/636104645.db2.gz FKMPEPLIBLPSIM-LLVKDONJSA-N 0 0 279.380 3.404 20 10 CGCDRN C[C@H](NC(=O)c1c[nH]cc1C1CC1)c1ccccc1O ZINC000881440426 636109587 /nfs/dbraw/zinc/10/95/87/636109587.db2.gz BIARHIKCHJPYRX-JTQLQIEISA-N 0 0 270.332 3.089 20 10 CGCDRN CCc1nn(C)c(CC)c1CN(C)c1ccc(OC)cc1 ZINC000845998766 636127846 /nfs/dbraw/zinc/12/78/46/636127846.db2.gz PHKKGHHAMHOMBO-UHFFFAOYSA-N 0 0 287.407 3.190 20 10 CGCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000846013252 636129157 /nfs/dbraw/zinc/12/91/57/636129157.db2.gz JAOGXMKJBCPODJ-BXKDBHETSA-N 0 0 289.778 3.071 20 10 CGCDRN COc1cccc([C@H](C)N[C@@H](C)C(F)(F)F)c1O ZINC000846173931 636153703 /nfs/dbraw/zinc/15/37/03/636153703.db2.gz USZFRVUCRBYOFB-YUMQZZPRSA-N 0 0 263.259 3.002 20 10 CGCDRN COc1cccc([C@H](C)Nc2cnn(CC(C)C)c2)c1O ZINC000846161148 636151194 /nfs/dbraw/zinc/15/11/94/636151194.db2.gz VFFFKWKMZNWCPV-LBPRGKRZSA-N 0 0 289.379 3.426 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC(F)(F)C1 ZINC000846472640 636186852 /nfs/dbraw/zinc/18/68/52/636186852.db2.gz CVMWIAYZSUZETL-MRVPVSSYSA-N 0 0 289.709 3.097 20 10 CGCDRN C[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474938 636188003 /nfs/dbraw/zinc/18/80/03/636188003.db2.gz CYJJJMIAWMRSEY-QWRGUYRKSA-N 0 0 281.783 3.488 20 10 CGCDRN CC(C)(C)c1cnc(Sc2ncc(C=O)cn2)s1 ZINC000882090282 636252340 /nfs/dbraw/zinc/25/23/40/636252340.db2.gz QGQZHDOGFSNOND-UHFFFAOYSA-N 0 0 279.390 3.194 20 10 CGCDRN c1csc(SC[C@H]2CN(c3ccccc3)CCO2)n1 ZINC000882110760 636257250 /nfs/dbraw/zinc/25/72/50/636257250.db2.gz SZASTAYLNYTRQC-CYBMUJFWSA-N 0 0 292.429 3.141 20 10 CGCDRN COC(=O)c1cnc(SC[C@@H]2CCC3(CCC3)O2)s1 ZINC000882173649 636277003 /nfs/dbraw/zinc/27/70/03/636277003.db2.gz LOUZEUIWDSHNGZ-VIFPVBQESA-N 0 0 299.417 3.124 20 10 CGCDRN CC1(C)Cc2cccc(C(=O)NCc3ccccc3O)c2O1 ZINC000847589293 636401235 /nfs/dbraw/zinc/40/12/35/636401235.db2.gz GGOYNOWOSFNKIL-UHFFFAOYSA-N 0 0 297.354 3.036 20 10 CGCDRN C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(F)cc1[O-] ZINC000130838324 636518449 /nfs/dbraw/zinc/51/84/49/636518449.db2.gz JHFPXTXPKGTWMN-GFCCVEGCSA-N 0 0 281.371 3.125 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)C1CCC(F)(F)CC1 ZINC000848391741 636565840 /nfs/dbraw/zinc/56/58/40/636565840.db2.gz OOIIZUPMSYQWDK-QMMMGPOBSA-N 0 0 289.347 3.398 20 10 CGCDRN COc1ccc2c(c1)N(Cc1ccccc1O)C[C@@H](C)O2 ZINC000131289958 636612266 /nfs/dbraw/zinc/61/22/66/636612266.db2.gz CTAMPMDCNZYWCM-GFCCVEGCSA-N 0 0 285.343 3.188 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC(F)F ZINC000883252154 636622785 /nfs/dbraw/zinc/62/27/85/636622785.db2.gz USDQUTRNSMKCGG-UHFFFAOYSA-N 0 0 288.294 3.071 20 10 CGCDRN CC(=O)Nc1cccc(CSc2nccs2)c1 ZINC000131448334 636658015 /nfs/dbraw/zinc/65/80/15/636658015.db2.gz IZSJCTJCNJCVQR-UHFFFAOYSA-N 0 0 264.375 3.394 20 10 CGCDRN CCc1cccc(CN(C)Cc2nccn2C(F)F)c1O ZINC000848880463 636670543 /nfs/dbraw/zinc/67/05/43/636670543.db2.gz FKSVIJSCRKKRTP-UHFFFAOYSA-N 0 0 295.333 3.178 20 10 CGCDRN C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000131586599 636691987 /nfs/dbraw/zinc/69/19/87/636691987.db2.gz KUGCGGIAECDFLR-UKRRQHHQSA-N 0 0 274.408 3.195 20 10 CGCDRN COc1cccc(O)c1CN1Cc2cc(F)c(F)cc2C1 ZINC000848925749 636698001 /nfs/dbraw/zinc/69/80/01/636698001.db2.gz JBKPBMHEBBZITF-UHFFFAOYSA-N 0 0 291.297 3.195 20 10 CGCDRN CC(C)(C)c1cccc(C(=O)NCc2ccc(N)cc2)c1 ZINC000848940385 636701664 /nfs/dbraw/zinc/70/16/64/636701664.db2.gz LXNQWNMOBZXEDF-UHFFFAOYSA-N 0 0 282.387 3.496 20 10 CGCDRN C[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294782 636750366 /nfs/dbraw/zinc/75/03/66/636750366.db2.gz PDXIAWPUPWFEMS-WMLDXEAASA-N 0 0 286.419 3.195 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N(C)C(C)C)cc1 ZINC000086369003 636782032 /nfs/dbraw/zinc/78/20/32/636782032.db2.gz IYNPZWVMJHOWRZ-UHFFFAOYSA-N 0 0 277.412 3.083 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH+]1CCCCC1 ZINC000132492708 636813569 /nfs/dbraw/zinc/81/35/69/636813569.db2.gz MCNODDBTNNMNSE-UHFFFAOYSA-N 0 0 270.170 3.141 20 10 CGCDRN CCN(CC)C(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999030 636924263 /nfs/dbraw/zinc/92/42/63/636924263.db2.gz MPKPEWYEJCSPQT-SSDOTTSWSA-N 0 0 278.830 3.146 20 10 CGCDRN Cc1nc(C)c(C(=O)CSc2ncc(Cl)s2)o1 ZINC000850000555 636925050 /nfs/dbraw/zinc/92/50/50/636925050.db2.gz ZCCGRTMARFICMJ-UHFFFAOYSA-N 0 0 288.781 3.376 20 10 CGCDRN COC(=O)[C@H](CC(C)C)Sc1ncc(Cl)s1 ZINC000850000406 636925119 /nfs/dbraw/zinc/92/51/19/636925119.db2.gz TYKTWXKZCVROTA-ZETCQYMHSA-N 0 0 279.814 3.476 20 10 CGCDRN Cc1ccc2oc(C(=O)NCc3ccccc3O)cc2c1 ZINC000133750831 636972623 /nfs/dbraw/zinc/97/26/23/636972623.db2.gz VGSZXESZDKFVHY-UHFFFAOYSA-N 0 0 281.311 3.377 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)C2CCCC2)c1 ZINC000133763273 636974548 /nfs/dbraw/zinc/97/45/48/636974548.db2.gz VRLWWLZQMBZWMZ-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@@H]([NH2+]CCCOC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850525553 637104424 /nfs/dbraw/zinc/10/44/24/637104424.db2.gz KJJJCYXOECZUOV-LLVKDONJSA-N 0 0 296.367 3.156 20 10 CGCDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850555444 637120043 /nfs/dbraw/zinc/12/00/43/637120043.db2.gz IOQSGTYCOKFAIW-BONVTDFDSA-N 0 0 278.352 3.386 20 10 CGCDRN O=C(NCc1ccccc1O)c1cccc(F)c1Cl ZINC000135358791 637120896 /nfs/dbraw/zinc/12/08/96/637120896.db2.gz VIWAPJZILVGBDG-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2(CC(C)C)CC2)c1 ZINC000850567277 637127111 /nfs/dbraw/zinc/12/71/11/637127111.db2.gz ZOEFAKGPDXFKBT-LBPRGKRZSA-N 0 0 291.391 3.408 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000850570133 637127986 /nfs/dbraw/zinc/12/79/86/637127986.db2.gz DSTMJJWBMOMGLK-SMDDNHRTSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000850571074 637128747 /nfs/dbraw/zinc/12/87/47/637128747.db2.gz MBSFTEYGAIQDCW-ZJUUUORDSA-N 0 0 285.334 3.136 20 10 CGCDRN Nc1ccc(CNC(=O)C2CC3(C2)CCCCC3)cc1 ZINC000850712610 637135432 /nfs/dbraw/zinc/13/54/32/637135432.db2.gz YJVYXYWGMFMRCF-UHFFFAOYSA-N 0 0 272.392 3.246 20 10 CGCDRN C[C@H](C[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000136403296 637335102 /nfs/dbraw/zinc/33/51/02/637335102.db2.gz NUBRNKXMRSGOSE-SECBINFHSA-N 0 0 284.197 3.290 20 10 CGCDRN COc1cccc(NCc2cc(C)ccc2O)c1OC ZINC000886275842 637478925 /nfs/dbraw/zinc/47/89/25/637478925.db2.gz ODWMGUJLCPCYEN-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN COc1cc(CN(C)c2ccc(OC)c(Cl)c2)sn1 ZINC000851808145 637511413 /nfs/dbraw/zinc/51/14/13/637511413.db2.gz LCIPMQZCHKBVJT-UHFFFAOYSA-N 0 0 298.795 3.450 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1coc(C)n1 ZINC000851884118 637531103 /nfs/dbraw/zinc/53/11/03/637531103.db2.gz NNMUVLOOXJAXJQ-UHFFFAOYSA-N 0 0 272.348 3.335 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1c([O-])cccc1F ZINC000886532396 637556727 /nfs/dbraw/zinc/55/67/27/637556727.db2.gz ILCXOLOSIBTRJV-DPDCMNJDSA-N 0 0 293.382 3.386 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886535245 637559390 /nfs/dbraw/zinc/55/93/90/637559390.db2.gz XBQKNKMAWSUTAY-BXUZGUMPSA-N 0 0 281.371 3.387 20 10 CGCDRN CCc1cnc(CC[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886534727 637559989 /nfs/dbraw/zinc/55/99/89/637559989.db2.gz NJVXYJBXNYDWDM-SNVBAGLBSA-N 0 0 294.395 3.444 20 10 CGCDRN C[C@@H]([NH2+]CCCc1nccs1)c1c([O-])cccc1F ZINC000886547693 637574618 /nfs/dbraw/zinc/57/46/18/637574618.db2.gz PXXDMINMYMFVBQ-SNVBAGLBSA-N 0 0 280.368 3.271 20 10 CGCDRN Cc1cncc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886558505 637580815 /nfs/dbraw/zinc/58/08/15/637580815.db2.gz LXYSMSRJCOWDNO-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886561916 637583774 /nfs/dbraw/zinc/58/37/74/637583774.db2.gz MLVSNRKTZPFLPQ-VHSXEESVSA-N 0 0 257.374 3.324 20 10 CGCDRN Cc1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc(C)n1 ZINC000886626422 637615966 /nfs/dbraw/zinc/61/59/66/637615966.db2.gz AYPQBZGTOGVPDE-GFCCVEGCSA-N 0 0 274.339 3.394 20 10 CGCDRN C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1ccccn1 ZINC000886634384 637621182 /nfs/dbraw/zinc/62/11/82/637621182.db2.gz CORVPURZGKRLCH-VXGBXAGGSA-N 0 0 274.339 3.381 20 10 CGCDRN C[C@H](O)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886640327 637624609 /nfs/dbraw/zinc/62/46/09/637624609.db2.gz WTTKSDSQPLJBBI-PRXAMGSTSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@@H]([NH2+]CCCc1ccco1)c1c([O-])cccc1F ZINC000886640122 637625041 /nfs/dbraw/zinc/62/50/41/637625041.db2.gz SCOHZHURUBBKIB-LLVKDONJSA-N 0 0 263.312 3.408 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cc(F)cc(F)c1[O-] ZINC000886702018 637665144 /nfs/dbraw/zinc/66/51/44/637665144.db2.gz ZBJBJFYEIZTALZ-PWSUYJOCSA-N 0 0 297.345 3.280 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)NCCC(C)(C)F)cc1 ZINC000852553718 637676719 /nfs/dbraw/zinc/67/67/19/637676719.db2.gz TVZCYNQXWCYDJE-UHFFFAOYSA-N 0 0 295.402 3.032 20 10 CGCDRN CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000852592405 637684265 /nfs/dbraw/zinc/68/42/65/637684265.db2.gz OVDCYNGLVBLZJH-LBPRGKRZSA-N 0 0 282.771 3.033 20 10 CGCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000852595367 637685319 /nfs/dbraw/zinc/68/53/19/637685319.db2.gz RXBZLFYKVZRTQK-MRXNPFEDSA-N 0 0 289.423 3.049 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC3CC2(C)C3)c1[O-] ZINC000852785287 637712809 /nfs/dbraw/zinc/71/28/09/637712809.db2.gz FGQQDWLSZJRQGZ-UHFFFAOYSA-N 0 0 279.767 3.233 20 10 CGCDRN Nc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 ZINC000852790017 637713857 /nfs/dbraw/zinc/71/38/57/637713857.db2.gz JCOUYFDONYUGLY-ZIAGYGMSSA-N 0 0 258.365 3.424 20 10 CGCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000852795741 637715081 /nfs/dbraw/zinc/71/50/81/637715081.db2.gz JTEAAMLPIUBSGM-HOCLYGCPSA-N 0 0 274.408 3.144 20 10 CGCDRN Cc1cc(Cc2nc(C)no2)c(C)n1-c1ccccc1 ZINC000853078577 637752779 /nfs/dbraw/zinc/75/27/79/637752779.db2.gz QMJFLHYLSQPGKK-UHFFFAOYSA-N 0 0 267.332 3.376 20 10 CGCDRN C[C@H]([NH2+]CCOCCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000853238771 637790447 /nfs/dbraw/zinc/79/04/47/637790447.db2.gz QHRKAICBCTWJRE-QMMMGPOBSA-N 0 0 296.169 3.336 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(F)cc1[O-] ZINC000854226109 638027693 /nfs/dbraw/zinc/02/76/93/638027693.db2.gz NXAOAAJYGKXNHG-QFYYESIMSA-N 0 0 286.350 3.452 20 10 CGCDRN C[C@H](NC(=O)C1(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000890030808 638150711 /nfs/dbraw/zinc/15/07/11/638150711.db2.gz LMGTVRDZFATXGS-LBPRGKRZSA-N 0 0 272.392 3.120 20 10 CGCDRN CCCc1ccc(C=C2SC(=S)NC2=O)s1 ZINC000856720352 638377227 /nfs/dbraw/zinc/37/72/27/638377227.db2.gz HWCCCIWLUBFVGD-TWGQIWQCSA-N 0 0 269.416 3.189 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(F)ccc1F ZINC000857547534 638516320 /nfs/dbraw/zinc/51/63/20/638516320.db2.gz IWMREQGGXJHFLU-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN Cc1ccncc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858171942 638649131 /nfs/dbraw/zinc/64/91/31/638649131.db2.gz FCFZLLWVQRACDL-UHFFFAOYSA-N 0 0 291.345 3.024 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(C)ccc1O ZINC000858293304 638674197 /nfs/dbraw/zinc/67/41/97/638674197.db2.gz LKNNBMVVAZUTFF-OCCSQVGLSA-N 0 0 276.380 3.079 20 10 CGCDRN Cc1cocc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858341956 638686707 /nfs/dbraw/zinc/68/67/07/638686707.db2.gz OPNYXQIDQCSVRT-UHFFFAOYSA-N 0 0 298.386 3.459 20 10 CGCDRN CCC(F)(F)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000858368903 638695461 /nfs/dbraw/zinc/69/54/61/638695461.db2.gz PGXRPYFXSAPBQP-LLVKDONJSA-N 0 0 299.365 3.158 20 10 CGCDRN C[C@H]1C[C@@H](Nc2cnn(CCF)c2)c2c1c(F)ccc2O ZINC000858491347 638740670 /nfs/dbraw/zinc/74/06/70/638740670.db2.gz FTQVQIIUAGGZND-JOYOIKCWSA-N 0 0 293.317 3.358 20 10 CGCDRN CSC1CCC(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000927384344 638855960 /nfs/dbraw/zinc/85/59/60/638855960.db2.gz GTKGUXWAEROGBW-UHFFFAOYSA-N 0 0 285.434 3.105 20 10 CGCDRN C[C@]1(C(=O)NCc2ccc3cccnc3c2O)CC=CCC1 ZINC000862026050 639635249 /nfs/dbraw/zinc/63/52/49/639635249.db2.gz FSPZKBWALLKLRB-SFHVURJKSA-N 0 0 296.370 3.303 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027324 639636722 /nfs/dbraw/zinc/63/67/22/639636722.db2.gz NVMBQWNUKKLDIM-RYUDHWBXSA-N 0 0 286.375 3.239 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)[C@@H]1C ZINC000043041743 639923626 /nfs/dbraw/zinc/92/36/26/639923626.db2.gz LQWAAGLMSWRFAE-UMVBOHGHSA-N 0 0 290.407 3.358 20 10 CGCDRN CN(c1nc(CSc2nccs2)cs1)C1CC1 ZINC000155942589 639959110 /nfs/dbraw/zinc/95/91/10/639959110.db2.gz YWKLNDAKGKLFCC-UHFFFAOYSA-N 0 0 283.447 3.491 20 10 CGCDRN Cc1cccc(NC(=O)CSc2nccs2)c1C ZINC000047238778 640007163 /nfs/dbraw/zinc/00/71/63/640007163.db2.gz AGXZAGBLGTUVMG-UHFFFAOYSA-N 0 0 278.402 3.491 20 10 CGCDRN CCCn1c(C)nnc1CN(C)c1ccc(OCC)cc1 ZINC000159194818 640035003 /nfs/dbraw/zinc/03/50/03/640035003.db2.gz LCJXKWURFVPGAB-UHFFFAOYSA-N 0 0 288.395 3.032 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(Cl)c1F ZINC000159642397 640057491 /nfs/dbraw/zinc/05/74/91/640057491.db2.gz ZVCAGBZOMGLDJN-UHFFFAOYSA-N 0 0 293.725 3.457 20 10 CGCDRN CCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC1CC1 ZINC000048994778 640078089 /nfs/dbraw/zinc/07/80/89/640078089.db2.gz CIQVSDOGMNZBKP-UHFFFAOYSA-N 0 0 279.355 3.356 20 10 CGCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000077613195 640248763 /nfs/dbraw/zinc/24/87/63/640248763.db2.gz VTFQESNEVACMFI-DLBZAZTESA-N 0 0 295.382 3.463 20 10 CGCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1nccs1 ZINC000077591249 640249202 /nfs/dbraw/zinc/24/92/02/640249202.db2.gz FHHLUDXSPUJYQA-GHMZBOCLSA-N 0 0 284.450 3.272 20 10 CGCDRN O=C(Nc1cccc2ccc(O)cc21)c1cccc(O)c1O ZINC000193143442 640435510 /nfs/dbraw/zinc/43/55/10/640435510.db2.gz FCFOXNPQCNEXNI-UHFFFAOYSA-N 0 0 295.294 3.209 20 10 CGCDRN Cc1ccnc(CNC(=S)Nc2c(C)cccc2C)c1 ZINC000244421264 640615122 /nfs/dbraw/zinc/61/51/22/640615122.db2.gz YTRQYVKYRHFJRG-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)ccc21 ZINC000245463548 640620964 /nfs/dbraw/zinc/62/09/64/640620964.db2.gz OTDPSRZSXNAYGO-VQFNDLOPSA-N 0 0 298.430 3.121 20 10 CGCDRN CCCN(Cc1ccc(N2CCOCC2)cc1)CC(F)F ZINC000092737479 640744589 /nfs/dbraw/zinc/74/45/89/640744589.db2.gz MUFJHRDQNWRIJF-UHFFFAOYSA-N 0 0 298.377 3.000 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccco2)c(O)c1 ZINC000248524481 640765880 /nfs/dbraw/zinc/76/58/80/640765880.db2.gz TYUXXYOKODQOON-DVOMOZLQSA-N 0 0 289.375 3.456 20 10 CGCDRN C[C@H](Nc1ccc2c(c1)OCO2)c1cc(F)ccc1O ZINC000094616787 640798674 /nfs/dbraw/zinc/79/86/74/640798674.db2.gz BREIHFABFYUZDS-VIFPVBQESA-N 0 0 275.279 3.433 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccn1 ZINC000019957711 641038807 /nfs/dbraw/zinc/03/88/07/641038807.db2.gz NKVTXPPTEJZSCH-UHFFFAOYSA-N 0 0 283.158 3.384 20 10 CGCDRN COCCCn1c2ccccc2nc1-c1ccc(O)c(O)c1 ZINC001250464550 805632123 /nfs/dbraw/zinc/63/21/23/805632123.db2.gz BCAARGWAVXFSFF-UHFFFAOYSA-N 0 0 298.342 3.151 20 10 CGCDRN Cc1cc(F)cc2nc(-c3ccc(O)c(O)c3)[nH]c21 ZINC001250464832 805632677 /nfs/dbraw/zinc/63/26/77/805632677.db2.gz NKZJCDGUQFDKSE-UHFFFAOYSA-N 0 0 258.252 3.089 20 10 CGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1O)CC(C)(C)C ZINC001156881116 805745001 /nfs/dbraw/zinc/74/50/01/805745001.db2.gz PSYZDMJNVLHNDG-NSHDSACASA-N 0 0 279.380 3.176 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cc(N)cc(Cl)n2)cc1 ZINC001156924097 805752707 /nfs/dbraw/zinc/75/27/07/805752707.db2.gz QGTDMRBJLBSXHR-UHFFFAOYSA-N 0 0 290.798 3.020 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cc3ccccc3nn2)cc1 ZINC001156924334 805753235 /nfs/dbraw/zinc/75/32/35/805753235.db2.gz YBCTWLSJWUOOMV-UHFFFAOYSA-N 0 0 292.386 3.332 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cnc3c(n2)CCCC3)cc1 ZINC001156928732 805756421 /nfs/dbraw/zinc/75/64/21/805756421.db2.gz SWOOWKAVJDJQDX-UHFFFAOYSA-N 0 0 296.418 3.058 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NC1CCC=CCC1 ZINC001251117945 805849843 /nfs/dbraw/zinc/84/98/43/805849843.db2.gz DJRIJDQAYABFRJ-UHFFFAOYSA-N 0 0 294.782 3.344 20 10 CGCDRN CSc1cnc(NCc2ccc(O)c(O)c2)c(C)c1 ZINC001158997854 806028393 /nfs/dbraw/zinc/02/83/93/806028393.db2.gz QXVXWAZKPGBPAN-UHFFFAOYSA-N 0 0 276.361 3.135 20 10 CGCDRN Oc1ccc(CNc2ccc3ccc(F)cc3n2)cc1O ZINC001158997944 806029436 /nfs/dbraw/zinc/02/94/36/806029436.db2.gz WGFYQFZDHBDIEH-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN COC(=O)c1cc(Nc2ccc3c(c2)CCN3)ccc1C ZINC001159523355 806116923 /nfs/dbraw/zinc/11/69/23/806116923.db2.gz XGSNXARQIBUAKT-UHFFFAOYSA-N 0 0 282.343 3.493 20 10 CGCDRN COC(=O)c1ccc(F)cc1Nc1ccc2c(c1)CCN2 ZINC001159522397 806117162 /nfs/dbraw/zinc/11/71/62/806117162.db2.gz KGCVZUCRVZYDRV-UHFFFAOYSA-N 0 0 286.306 3.324 20 10 CGCDRN Oc1ccc(/C=C/c2nnc(-c3ccccc3)o2)cc1O ZINC001253074273 806159474 /nfs/dbraw/zinc/15/94/74/806159474.db2.gz NJDKCABBWWZXKA-VQHVLOKHSA-N 0 0 280.283 3.318 20 10 CGCDRN Nc1ccc(-n2ccc3cc(Cl)cc(N)c32)cc1 ZINC001160249449 806240287 /nfs/dbraw/zinc/24/02/87/806240287.db2.gz DJMAUOWLYCGWKJ-UHFFFAOYSA-N 0 0 257.724 3.448 20 10 CGCDRN Cc1nc2ccoc2c(NCc2cccc(C)c2O)n1 ZINC001160764677 806300409 /nfs/dbraw/zinc/30/04/09/806300409.db2.gz LBEFZHNBFADEBB-UHFFFAOYSA-N 0 0 269.304 3.157 20 10 CGCDRN Cc1cc(C)c(CNc2nccc3nc(C)cnc32)c(O)c1 ZINC001160811278 806305401 /nfs/dbraw/zinc/30/54/01/806305401.db2.gz JEYSDFMMMDSIEI-UHFFFAOYSA-N 0 0 294.358 3.268 20 10 CGCDRN Nc1ccc(CNC(F)(F)c2ccc(Cl)nc2)cc1 ZINC001162783149 806664463 /nfs/dbraw/zinc/66/44/63/806664463.db2.gz PKDHBLUBYILUPN-UHFFFAOYSA-N 0 0 283.709 3.156 20 10 CGCDRN CCOc1ccc2ncnc(NCc3ccc(N)cc3)c2c1 ZINC001162786208 806665531 /nfs/dbraw/zinc/66/55/31/806665531.db2.gz UQHDMPZVVPESMF-UHFFFAOYSA-N 0 0 294.358 3.223 20 10 CGCDRN Cc1cc(NCc2ccc(N)cc2)nc2[nH]ccc21 ZINC001162785627 806665957 /nfs/dbraw/zinc/66/59/57/806665957.db2.gz KWOZGHVBQGEFEU-UHFFFAOYSA-N 0 0 252.321 3.066 20 10 CGCDRN CCCN(CCC)c1cc(NCc2ccc(N)cc2)ncn1 ZINC001162786190 806665967 /nfs/dbraw/zinc/66/59/67/806665967.db2.gz TUFCPMVVMMJMHT-UHFFFAOYSA-N 0 0 299.422 3.297 20 10 CGCDRN Cc1cc2ccccc2n1CC(=O)Nc1ccc(N)cc1 ZINC000037011625 798855154 /nfs/dbraw/zinc/85/51/54/798855154.db2.gz XUGXCDCVFHIBPC-UHFFFAOYSA-N 0 0 279.343 3.171 20 10 CGCDRN CCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000037323140 798866665 /nfs/dbraw/zinc/86/66/65/798866665.db2.gz KFIYHDNLNOCNAL-UHFFFAOYSA-N 0 0 255.745 3.090 20 10 CGCDRN Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC000068984862 798912682 /nfs/dbraw/zinc/91/26/82/798912682.db2.gz PBGSUKHWJGLVKW-MRXNPFEDSA-N 0 0 299.345 3.374 20 10 CGCDRN CCNC(=O)c1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071407695 798916846 /nfs/dbraw/zinc/91/68/46/798916846.db2.gz GAKGANRMBKUFMR-UHFFFAOYSA-N 0 0 284.359 3.062 20 10 CGCDRN Oc1cc2c(cc1CNc1cccc3ccncc31)OCO2 ZINC000316644513 799242478 /nfs/dbraw/zinc/24/24/78/799242478.db2.gz BAUNKPGOKKVJCT-UHFFFAOYSA-N 0 0 294.310 3.281 20 10 CGCDRN C[C@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000381715221 799386316 /nfs/dbraw/zinc/38/63/16/799386316.db2.gz JAHFUDKICJVFMA-UFBFGSQYSA-N 0 0 289.206 3.011 20 10 CGCDRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N)cc1 ZINC000386570776 799437833 /nfs/dbraw/zinc/43/78/33/799437833.db2.gz PZLRYLDQFNTDCJ-GFCCVEGCSA-N 0 0 296.370 3.164 20 10 CGCDRN Cc1nnc([C@H](C)N[C@@H](C)c2cc(F)ccc2O)s1 ZINC000391804710 799478156 /nfs/dbraw/zinc/47/81/56/799478156.db2.gz ISEUBGURORXXKM-YUMQZZPRSA-N 0 0 281.356 3.103 20 10 CGCDRN COc1ccc(CN[C@@H]2CCCC2(F)F)cc1C ZINC000398041208 799525386 /nfs/dbraw/zinc/52/53/86/799525386.db2.gz PJIQKBOOVMQUAW-CYBMUJFWSA-N 0 0 255.308 3.281 20 10 CGCDRN Cc1scc(C(=O)NCc2ccccc2O)c1C ZINC000399835728 799542104 /nfs/dbraw/zinc/54/21/04/799542104.db2.gz CSDJNPFWTVQBRO-UHFFFAOYSA-N 0 0 261.346 3.001 20 10 CGCDRN COc1ccc(C)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403443 799689208 /nfs/dbraw/zinc/68/92/08/799689208.db2.gz JPVFOWYRASCKSC-YVMONPNESA-N 0 0 299.326 3.067 20 10 CGCDRN C[C@H]1CC(NC(=O)/C=C\c2ccc(O)c(O)c2)C[C@H](C)C1 ZINC000588407268 799689464 /nfs/dbraw/zinc/68/94/64/799689464.db2.gz UALSQSSEXNQSHO-CZVUKNJHSA-N 0 0 289.375 3.052 20 10 CGCDRN CN1C(=O)/C(=C\c2sccc2Cl)SC1=S ZINC000588600840 799720142 /nfs/dbraw/zinc/72/01/42/799720142.db2.gz IFNRTESLQZEVKZ-QPJJXVBHSA-N 0 0 275.807 3.233 20 10 CGCDRN COc1cc(Cl)cc(CN2CCOC(C)(C)[C@H]2C)c1O ZINC000687954526 799741759 /nfs/dbraw/zinc/74/17/59/799741759.db2.gz RFZULALNTDVRJD-SNVBAGLBSA-N 0 0 299.798 3.054 20 10 CGCDRN Cc1c[nH]c(CNc2ccccc2OCC(C)C)n1 ZINC000693498419 799810667 /nfs/dbraw/zinc/81/06/67/799810667.db2.gz GUJWZPORPYSWFQ-UHFFFAOYSA-N 0 0 259.353 3.365 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698940843 799858423 /nfs/dbraw/zinc/85/84/23/799858423.db2.gz DCVMYKGBGAMBNQ-RYUDHWBXSA-N 0 0 296.208 3.290 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCC3(CC3)CC2)cc1 ZINC000702581971 799911300 /nfs/dbraw/zinc/91/13/00/799911300.db2.gz AGBMUYUZBUCFLD-UHFFFAOYSA-N 0 0 259.353 3.067 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCCC23CC3)ccc(F)c1F ZINC000703286144 799921593 /nfs/dbraw/zinc/92/15/93/799921593.db2.gz NECURKSFAYXPEQ-LLVKDONJSA-N 0 0 253.292 3.093 20 10 CGCDRN CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703258530 799921976 /nfs/dbraw/zinc/92/19/76/799921976.db2.gz UAMPXNCUWRSSPN-CYBMUJFWSA-N 0 0 255.308 3.195 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCCC(F)(F)C2)ccc(F)c1F ZINC000703365003 799922509 /nfs/dbraw/zinc/92/25/09/799922509.db2.gz FERYBMWKKGNMKD-SECBINFHSA-N 0 0 277.261 3.338 20 10 CGCDRN C[N@H+](CCC(F)(F)F)Cc1cc(F)cc(F)c1[O-] ZINC000708384323 799986461 /nfs/dbraw/zinc/98/64/61/799986461.db2.gz POPJBNSGZHTSSC-UHFFFAOYSA-N 0 0 269.213 3.055 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000708387232 799987542 /nfs/dbraw/zinc/98/75/42/799987542.db2.gz ZIEFPFHMMIAXDX-SECBINFHSA-N 0 0 295.251 3.445 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCS1 ZINC000708466161 799988953 /nfs/dbraw/zinc/98/89/53/799988953.db2.gz NZTTVJDTHKAACS-ZDUSSCGKSA-N 0 0 273.348 3.046 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1=CCCCC1 ZINC000708516523 799990396 /nfs/dbraw/zinc/99/03/96/799990396.db2.gz JACGHXLHMWRBEM-UHFFFAOYSA-N 0 0 253.292 3.260 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000710608833 800037139 /nfs/dbraw/zinc/03/71/39/800037139.db2.gz RXXNEZBVDVUYDG-UFGOTCBOSA-N 0 0 251.757 3.324 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711428282 800056797 /nfs/dbraw/zinc/05/67/97/800056797.db2.gz XEGJANKQRLJLKR-GFCCVEGCSA-N 0 0 281.783 3.237 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1C=CCC1 ZINC000711759459 800071953 /nfs/dbraw/zinc/07/19/53/800071953.db2.gz KMCRVJUZWKBCNA-JTQLQIEISA-N 0 0 282.181 3.211 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(C2CCC2)CCC1 ZINC000717820126 800205734 /nfs/dbraw/zinc/20/57/34/800205734.db2.gz RJNBOOKSVWQAQO-UHFFFAOYSA-N 0 0 267.319 3.483 20 10 CGCDRN C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(F)cc1[O-] ZINC000719582793 800244913 /nfs/dbraw/zinc/24/49/13/800244913.db2.gz MPWKASRGEHOJKY-VIFPVBQESA-N 0 0 292.379 3.327 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)[C@H](F)CC1CCCCC1 ZINC000827622916 800478815 /nfs/dbraw/zinc/47/88/15/800478815.db2.gz OUJNQPPVPNOMQM-CQSZACIVSA-N 0 0 295.354 3.023 20 10 CGCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000850379326 800517879 /nfs/dbraw/zinc/51/78/79/800517879.db2.gz LAVGVWGTIGMQRD-VHSXEESVSA-N 0 0 287.762 3.232 20 10 CGCDRN CCCCCCc1nnc(-c2ccc(O)c(O)c2)o1 ZINC001256318833 806858782 /nfs/dbraw/zinc/85/87/82/806858782.db2.gz YFDGSCAJPAJOFA-UHFFFAOYSA-N 0 0 262.309 3.271 20 10 CGCDRN Cc1nc([C@@H](C)NCc2ccc3ccccc3c2O)no1 ZINC001117760279 802489800 /nfs/dbraw/zinc/48/98/00/802489800.db2.gz TWXOAUKRNBSAFB-SNVBAGLBSA-N 0 0 283.331 3.088 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001118516258 802578869 /nfs/dbraw/zinc/57/88/69/802578869.db2.gz BDXPVBDZYYOXDC-GHMZBOCLSA-N 0 0 265.378 3.106 20 10 CGCDRN CCC[C@@H](OCC)C(=O)Nc1c2nonc2ccc1Cl ZINC001119199960 802634703 /nfs/dbraw/zinc/63/47/03/802634703.db2.gz QWNUSJHRYXWNTH-SNVBAGLBSA-N 0 0 297.742 3.020 20 10 CGCDRN CC(C)(CNC(=O)NCc1ccc(N)cc1)C1=CCCC1 ZINC001120627136 802754488 /nfs/dbraw/zinc/75/44/88/802754488.db2.gz YJHAFJLICUTFGP-UHFFFAOYSA-N 0 0 287.407 3.205 20 10 CGCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(N)nc2)cc1 ZINC001201292425 811808557 /nfs/dbraw/zinc/80/85/57/811808557.db2.gz NOBNKIQLVOMYFA-UHFFFAOYSA-N 0 0 291.358 3.298 20 10 CGCDRN Cc1cc2c(cccc2-c2cnc(N(C)C)nc2)n1C ZINC001205030780 812833478 /nfs/dbraw/zinc/83/34/78/812833478.db2.gz IPUHADKNUHHNNJ-UHFFFAOYSA-N 0 0 266.348 3.010 20 10 CGCDRN C[C@@]1(F)CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001137831502 803778221 /nfs/dbraw/zinc/77/82/21/803778221.db2.gz BWTUTRZFQGGRBW-CQSZACIVSA-N 0 0 255.308 3.245 20 10 CGCDRN CN(Cc1ccc(F)cc1F)Cc1c(O)cccc1F ZINC001137839572 803779855 /nfs/dbraw/zinc/77/98/55/803779855.db2.gz DQULTQYKJWGZPC-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN C[N@H+](CCOc1ccccc1)Cc1c([O-])cccc1F ZINC001137837351 803780353 /nfs/dbraw/zinc/78/03/53/803780353.db2.gz CERQBSIJQGNJON-UHFFFAOYSA-N 0 0 275.323 3.042 20 10 CGCDRN CC[N@H+](Cc1cccc(OC(C)=O)c1)Cc1ccccc1O ZINC001138045454 803841459 /nfs/dbraw/zinc/84/14/59/803841459.db2.gz PATXKTCEJFMGOB-UHFFFAOYSA-N 0 0 299.370 3.340 20 10 CGCDRN c1cc(N2CCCCC2)ccc1CN1CCCCO1 ZINC001138215483 803873907 /nfs/dbraw/zinc/87/39/07/803873907.db2.gz HILJNJAZIYIDRT-UHFFFAOYSA-N 0 0 260.381 3.204 20 10 CGCDRN Cc1c(C[N@@H+]2CCC[C@@H]2CF)c2ccccc2n1C ZINC001138259700 803883363 /nfs/dbraw/zinc/88/33/63/803883363.db2.gz MMEGTDTZRGKVOU-CYBMUJFWSA-N 0 0 260.356 3.421 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001139680925 804250175 /nfs/dbraw/zinc/25/01/75/804250175.db2.gz FRHRKKLWNFGYLT-SCZZXKLOSA-N 0 0 289.272 3.148 20 10 CGCDRN C[N@H+](CCc1cccs1)Cc1c(F)ccc(F)c1[O-] ZINC001139684435 804252779 /nfs/dbraw/zinc/25/27/79/804252779.db2.gz UIJGVMYNZCEOIG-UHFFFAOYSA-N 0 0 283.343 3.406 20 10 CGCDRN CC[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686069 804253989 /nfs/dbraw/zinc/25/39/89/804253989.db2.gz METZRMKWTYDQAF-SNVBAGLBSA-N 0 0 255.308 3.435 20 10 CGCDRN Fc1cccc(-c2noc(-c3csnn3)n2)c1Cl ZINC001212362116 815010281 /nfs/dbraw/zinc/01/02/81/815010281.db2.gz NMIXYHNBCPHBSC-UHFFFAOYSA-N 0 0 282.687 3.048 20 10 CGCDRN C[C@H]1CCN(Cc2cc(F)ccc2O)CC1(F)F ZINC001140058352 804365841 /nfs/dbraw/zinc/36/58/41/804365841.db2.gz XHJSSMIWKLQKNT-VIFPVBQESA-N 0 0 259.271 3.008 20 10 CGCDRN Oc1cccc2c1CN(Cc1cc(Cl)ncc1F)CC2 ZINC001140609607 804475343 /nfs/dbraw/zinc/47/53/43/804475343.db2.gz WOUCWCQXTYBOBN-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN COC(=O)c1cccc2c1CN(Cc1cc(C)ccc1O)C2 ZINC001140621054 804476937 /nfs/dbraw/zinc/47/69/37/804476937.db2.gz NEMDXYDCFWPVDS-UHFFFAOYSA-N 0 0 297.354 3.003 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc3ncccc3c2)no1 ZINC001212405327 815021022 /nfs/dbraw/zinc/02/10/22/815021022.db2.gz OJPVAYOMCPTQSE-UHFFFAOYSA-N 0 0 295.327 3.112 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(F)cc2C)no1 ZINC001212405456 815021111 /nfs/dbraw/zinc/02/11/11/815021111.db2.gz TZXFXTISIKTRQG-UHFFFAOYSA-N 0 0 276.296 3.011 20 10 CGCDRN CN(C)c1ccc(CN2CC3(C2)CCCOC3)c(Cl)c1 ZINC001140922409 804549014 /nfs/dbraw/zinc/54/90/14/804549014.db2.gz QJGVIZYZWWQYLP-UHFFFAOYSA-N 0 0 294.826 3.018 20 10 CGCDRN C[N@H+](Cc1ccc2c(c1)OCCCO2)Cc1ccccc1O ZINC001142271806 804711056 /nfs/dbraw/zinc/71/10/56/804711056.db2.gz UUOZWCIWXMFRJF-UHFFFAOYSA-N 0 0 299.370 3.186 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCc2ccccc2C1 ZINC001142502025 804726773 /nfs/dbraw/zinc/72/67/73/804726773.db2.gz GVAPKUYLECVLRC-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN C[C@@]1(F)CCCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508682 804728051 /nfs/dbraw/zinc/72/80/51/804728051.db2.gz HWAHQMNFVVOQSN-CQSZACIVSA-N 0 0 273.298 3.385 20 10 CGCDRN Cc1cc(C)c(CNC(=S)NCC(C)(C)C)c(O)c1 ZINC001248007489 804868448 /nfs/dbraw/zinc/86/84/48/804868448.db2.gz ARLNGPUPLAJFQZ-UHFFFAOYSA-N 0 0 280.437 3.019 20 10 CGCDRN CC(=O)c1ccc(C(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001148311472 805173720 /nfs/dbraw/zinc/17/37/20/805173720.db2.gz QBDAGRXDYXFSLO-UHFFFAOYSA-N 0 0 297.354 3.142 20 10 CGCDRN Oc1cc(F)cc(F)c1Nc1ccncc1C(F)(F)F ZINC001249587595 805183098 /nfs/dbraw/zinc/18/30/98/805183098.db2.gz XDBYESWBSAYYTM-UHFFFAOYSA-N 0 0 290.191 3.250 20 10 CGCDRN CCCC[C@@H](CCC)NC(=O)c1ccc(C)c(O)c1O ZINC001148998371 805216583 /nfs/dbraw/zinc/21/65/83/805216583.db2.gz WKAACJVMMUKVKA-GFCCVEGCSA-N 0 0 279.380 3.495 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(N)cc(Cl)n1 ZINC001154890328 805505699 /nfs/dbraw/zinc/50/56/99/805505699.db2.gz VKIBJXOZDUMLGH-UHFFFAOYSA-N 0 0 277.755 3.049 20 10 CGCDRN CCCOCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256961830 807017262 /nfs/dbraw/zinc/01/72/62/807017262.db2.gz XJPSOUGZCCCHEW-UHFFFAOYSA-N 0 0 283.331 3.454 20 10 CGCDRN C=Cc1cccc(NCCc2cc(O)c(O)cc2O)c1 ZINC001168005882 807298546 /nfs/dbraw/zinc/29/85/46/807298546.db2.gz OQNIDZULDGEIJW-UHFFFAOYSA-N 0 0 271.316 3.101 20 10 CGCDRN Cc1cc2cc(NCCc3cc(O)c(O)cc3O)ccc2[nH]1 ZINC001168014659 807300666 /nfs/dbraw/zinc/30/06/66/807300666.db2.gz XVDJEKUUXDEQJL-UHFFFAOYSA-N 0 0 298.342 3.248 20 10 CGCDRN Cc1ccc2[nH]ccc2c1NCCc1cc(O)c(O)cc1O ZINC001168010081 807301576 /nfs/dbraw/zinc/30/15/76/807301576.db2.gz QHBBACPKGUZTOV-UHFFFAOYSA-N 0 0 298.342 3.248 20 10 CGCDRN Oc1ccc(CNc2cncc(-c3ccccc3)n2)cc1O ZINC001169992784 807734876 /nfs/dbraw/zinc/73/48/76/807734876.db2.gz FUOLSRXHEPUZCJ-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN Oc1ccc(CNc2ccc3ccoc3c2)cc1O ZINC001169994782 807735110 /nfs/dbraw/zinc/73/51/10/807735110.db2.gz HSDXOKOSBXMALD-UHFFFAOYSA-N 0 0 255.273 3.456 20 10 CGCDRN Cc1c2[nH]ccc2ccc1NCc1ccc(O)c(O)c1 ZINC001169996957 807736528 /nfs/dbraw/zinc/73/65/28/807736528.db2.gz OBJBLAMEMNFLPG-UHFFFAOYSA-N 0 0 268.316 3.500 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001261481454 807749136 /nfs/dbraw/zinc/74/91/36/807749136.db2.gz AFPICPWCIXXNOJ-AXFHLTTASA-N 0 0 282.315 3.232 20 10 CGCDRN CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc(N)cc1)C1CC1 ZINC001262603928 807873610 /nfs/dbraw/zinc/87/36/10/807873610.db2.gz ZNFVCCZRQLALEB-CHWSQXEVSA-N 0 0 289.423 3.377 20 10 CGCDRN CNc1ccccc1NCC(F)(F)c1ccccn1 ZINC001170912471 807930958 /nfs/dbraw/zinc/93/09/58/807930958.db2.gz FDULMWSPVIJGOT-UHFFFAOYSA-N 0 0 263.291 3.327 20 10 CGCDRN Cc1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2O)c1F ZINC001171730949 808127460 /nfs/dbraw/zinc/12/74/60/808127460.db2.gz UCQIGZFKIBBVGI-JTQLQIEISA-N 0 0 291.297 3.470 20 10 CGCDRN C/C(=C/C(=O)N1CCc2ccc(Cl)cc21)c1cnccn1 ZINC001265760372 808178779 /nfs/dbraw/zinc/17/87/79/808178779.db2.gz XFGNZDBYKOYLNV-FLIBITNWSA-N 0 0 299.761 3.123 20 10 CGCDRN O=C(/C=C/c1ccccc1F)N1Cc2cccc(O)c2C1 ZINC001175038531 809248175 /nfs/dbraw/zinc/24/81/75/809248175.db2.gz RKIUBZZPUAMFMU-CMDGGOBGSA-N 0 0 283.302 3.087 20 10 CGCDRN CSc1cccc(N(CCO)c2ccc(N)cc2)c1 ZINC001175288365 809340179 /nfs/dbraw/zinc/34/01/79/809340179.db2.gz WKDNKITTZRYXJF-UHFFFAOYSA-N 0 0 274.389 3.121 20 10 CGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C/c2cn(C)cn2)cc1 ZINC001288849611 809370849 /nfs/dbraw/zinc/37/08/49/809370849.db2.gz GYLULURLRCZOHM-JXMROGBWSA-N 0 0 295.386 3.185 20 10 CGCDRN C[C@H](CCNC(=O)Cc1ccc(O)c(O)c1)CC(C)(C)C ZINC001296445348 809503780 /nfs/dbraw/zinc/50/37/80/809503780.db2.gz USHNFRQTTSQRSZ-GFCCVEGCSA-N 0 0 293.407 3.219 20 10 CGCDRN CN(c1ccc(N)cc1)c1cnc(N)cc1C(F)(F)F ZINC001175715429 809517290 /nfs/dbraw/zinc/51/72/90/809517290.db2.gz MBGLMOFTJZMXSU-UHFFFAOYSA-N 0 0 282.269 3.033 20 10 CGCDRN COCOc1ccc(N(C)c2ccc(N)cc2)cc1F ZINC001176190176 809644127 /nfs/dbraw/zinc/64/41/27/809644127.db2.gz BETOCOIDJGMQTF-UHFFFAOYSA-N 0 0 276.311 3.159 20 10 CGCDRN Nc1ccc(Nc2cc(C(=O)N3CCCC3)ccc2F)cc1 ZINC001176213391 809646777 /nfs/dbraw/zinc/64/67/77/809646777.db2.gz QSICRGOFBWHBBZ-UHFFFAOYSA-N 0 0 299.349 3.388 20 10 CGCDRN CCC1(C(=O)NCc2c(O)cccc2O)CCCCC1 ZINC001178910655 809894097 /nfs/dbraw/zinc/89/40/97/809894097.db2.gz GRYLWXOMVWAPKW-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c1 ZINC001178950493 809896338 /nfs/dbraw/zinc/89/63/38/809896338.db2.gz OUPYCXIKNDQHRI-WFASDCNBSA-N 0 0 290.363 3.216 20 10 CGCDRN C[C@@H](c1ccccc1)[N@H+](CCO)Cc1cccc(F)c1[O-] ZINC001180002089 809966194 /nfs/dbraw/zinc/96/61/94/809966194.db2.gz KRBLQHWOIXJHLY-ZDUSSCGKSA-N 0 0 289.350 3.087 20 10 CGCDRN CN(C)c1ccc(/C=C/C(=O)N(C)C[C@@H]2CC2(C)C)cc1 ZINC001180126067 809975814 /nfs/dbraw/zinc/97/58/14/809975814.db2.gz BYVBNKCJWOSBDF-SHQCLWGWSA-N 0 0 286.419 3.270 20 10 CGCDRN CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001180631959 810014739 /nfs/dbraw/zinc/01/47/39/810014739.db2.gz FOECTMSNFFKJLC-CHWSQXEVSA-N 0 0 299.361 3.352 20 10 CGCDRN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001181544685 810058766 /nfs/dbraw/zinc/05/87/66/810058766.db2.gz VWEDHCMPEZICOE-GXSJLCMTSA-N 0 0 255.308 3.433 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1noc2ccccc12 ZINC001183769192 810160608 /nfs/dbraw/zinc/16/06/08/810160608.db2.gz OBAORCZYQIPJNC-UHFFFAOYSA-N 0 0 290.269 3.101 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cc2ccncc2s1 ZINC001183920002 810169445 /nfs/dbraw/zinc/16/94/45/810169445.db2.gz SFRMTNZUMNTAKD-UHFFFAOYSA-N 0 0 288.347 3.431 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC001183920238 810169680 /nfs/dbraw/zinc/16/96/80/810169680.db2.gz VWYYETJJLHRDCR-UONOGXRCSA-N 0 0 271.335 3.425 20 10 CGCDRN Cc1cccc(CNC(=O)N[C@H](C)c2ccccc2)c1O ZINC001185045890 810230890 /nfs/dbraw/zinc/23/08/90/810230890.db2.gz ZRVPYJVXRGXHPV-CYBMUJFWSA-N 0 0 284.359 3.261 20 10 CGCDRN Cc1cc(NCc2cc(O)ccc2O)nc(C2CCC2)n1 ZINC001187497700 810401342 /nfs/dbraw/zinc/40/13/42/810401342.db2.gz RMYJFXGGSYVACO-UHFFFAOYSA-N 0 0 285.347 3.076 20 10 CGCDRN COCOc1cccc(Cl)c1Nc1cccc(O)c1O ZINC001214311920 815394787 /nfs/dbraw/zinc/39/47/87/815394787.db2.gz ZETDBTILKYGPSE-UHFFFAOYSA-N 0 0 295.722 3.478 20 10 CGCDRN CC[C@@H](C)COC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001194796626 811136159 /nfs/dbraw/zinc/13/61/59/811136159.db2.gz RTVGAPMISBJZLX-CYBMUJFWSA-N 0 0 278.396 3.367 20 10 CGCDRN CC[C@H](C)OC(=O)NCc1c(C)cc(C)cc1O ZINC001195152134 811217368 /nfs/dbraw/zinc/21/73/68/811217368.db2.gz VONYDYOWAZFUQT-NSHDSACASA-N 0 0 251.326 3.034 20 10 CGCDRN Fc1ccccc1NC(=S)NCc1cccc(Cl)n1 ZINC001195792934 811293383 /nfs/dbraw/zinc/29/33/83/811293383.db2.gz ZTSHOBVHNDSIIH-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN Oc1ccccc1CNC(=S)Nc1cccc(F)c1 ZINC001197651754 811441670 /nfs/dbraw/zinc/44/16/70/811441670.db2.gz PEYBSXLTHNDOKW-UHFFFAOYSA-N 0 0 276.336 3.018 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2ccc3c(c2)CCC3)c(O)c1 ZINC001198788204 811544141 /nfs/dbraw/zinc/54/41/41/811544141.db2.gz GBFRWKPRSKOZPP-UHFFFAOYSA-N 0 0 295.382 3.428 20 10 CGCDRN O=c1[nH]c2cc(NCc3cc(F)cc(F)c3O)ccc2o1 ZINC001199539544 811579854 /nfs/dbraw/zinc/57/98/54/811579854.db2.gz NDSGEDPWGHKVIP-UHFFFAOYSA-N 0 0 292.241 3.129 20 10 CGCDRN CCCCCCNC(=S)NCc1cccc(C)c1O ZINC001200961396 811775436 /nfs/dbraw/zinc/77/54/36/811775436.db2.gz WHVGMDJHRSDTGR-UHFFFAOYSA-N 0 0 280.437 3.245 20 10 CGCDRN Cc1cccc(C)c1NC(=O)Nc1cccc(O)c1O ZINC001202206199 812039215 /nfs/dbraw/zinc/03/92/15/812039215.db2.gz NUVNXFLIICCIPS-UHFFFAOYSA-N 0 0 272.304 3.359 20 10 CGCDRN Cc1ccc(C)c(NC(=O)Nc2cccc(O)c2O)c1 ZINC001202768256 812170812 /nfs/dbraw/zinc/17/08/12/812170812.db2.gz SJBPWIBLAPRAPI-UHFFFAOYSA-N 0 0 272.304 3.359 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001203561548 812392644 /nfs/dbraw/zinc/39/26/44/812392644.db2.gz VWIVMMJKHUIPGO-MRXNPFEDSA-N 0 0 275.392 3.173 20 10 CGCDRN CCOc1cccc(CN2CCC[C@H]2C(F)(F)F)c1O ZINC001203603655 812405437 /nfs/dbraw/zinc/40/54/37/812405437.db2.gz VKTNGAOEWGFTGI-LBPRGKRZSA-N 0 0 289.297 3.318 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCC[C@@H]1c1cnccn1 ZINC001203657302 812419105 /nfs/dbraw/zinc/41/91/05/812419105.db2.gz JDKQLMLMQDENEN-CQSZACIVSA-N 0 0 289.766 3.173 20 10 CGCDRN CN(C)c1ccc(CN2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001203931751 812495138 /nfs/dbraw/zinc/49/51/38/812495138.db2.gz VKTDXUZBVJZJDO-AWEZNQCLSA-N 0 0 286.341 3.322 20 10 CGCDRN CC(C)[N@H+](Cc1cc(F)c(F)cc1[O-])C1CCC1 ZINC001204238294 812582427 /nfs/dbraw/zinc/58/24/27/812582427.db2.gz QJMAQPWMQPESJA-UHFFFAOYSA-N 0 0 255.308 3.433 20 10 CGCDRN c1cc(N2CCCC2)ccc1CN1CC2(C1)CCCCO2 ZINC001204324422 812612376 /nfs/dbraw/zinc/61/23/76/812612376.db2.gz LDVNSIPCBDZVMT-UHFFFAOYSA-N 0 0 286.419 3.042 20 10 CGCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(F)c(F)cc2[O-])C(C)(C)O1 ZINC001205008654 812823600 /nfs/dbraw/zinc/82/36/00/812823600.db2.gz WLPSFBZRCYAUNZ-CYBMUJFWSA-N 0 0 285.334 3.106 20 10 CGCDRN Cc1nc(CN(C)Cc2ccc(N3CCCC3)cc2)co1 ZINC001206068354 813189043 /nfs/dbraw/zinc/18/90/43/813189043.db2.gz VMZMAEDIHDSLGE-UHFFFAOYSA-N 0 0 285.391 3.215 20 10 CGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccncc1OC ZINC001206493508 813335052 /nfs/dbraw/zinc/33/50/52/813335052.db2.gz DRFVUWYSIMXLLD-UHFFFAOYSA-N 0 0 299.418 3.178 20 10 CGCDRN CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC001206696582 813400785 /nfs/dbraw/zinc/40/07/85/813400785.db2.gz ACXDKSYKLGSJAY-MRXNPFEDSA-N 0 0 299.361 3.091 20 10 CGCDRN Cc1cccc(CN2Cc3cccc(O)c3C2)c1F ZINC001207242770 813521200 /nfs/dbraw/zinc/52/12/00/813521200.db2.gz GMSBLHFQATUJDX-UHFFFAOYSA-N 0 0 257.308 3.356 20 10 CGCDRN Oc1cccc2c1C[N@H+](CCc1c(F)cccc1F)CC2 ZINC001208117015 813696734 /nfs/dbraw/zinc/69/67/34/813696734.db2.gz POMISNGGHWRBIY-UHFFFAOYSA-N 0 0 289.325 3.271 20 10 CGCDRN c1cn(-c2cccc(Nc3ccc4c(c3)OCCN4)c2)cn1 ZINC001209729004 814122987 /nfs/dbraw/zinc/12/29/87/814122987.db2.gz YUJLADGQYYLGDD-UHFFFAOYSA-N 0 0 292.342 3.420 20 10 CGCDRN Cc1ccc(CO)cc1Nc1ccc2c(c1)OCCN2 ZINC001209727419 814122999 /nfs/dbraw/zinc/12/29/99/814122999.db2.gz HEEBKISIIYMNDN-UHFFFAOYSA-N 0 0 270.332 3.035 20 10 CGCDRN COC(=O)c1ccc(C)cc1Nc1ccc2c(c1)OCCN2 ZINC001209767923 814134961 /nfs/dbraw/zinc/13/49/61/814134961.db2.gz RYGQHFYLAMPSAE-UHFFFAOYSA-N 0 0 298.342 3.330 20 10 CGCDRN Nc1ccc(Nc2cc(Br)cnc2F)cc1 ZINC001211272087 814867779 /nfs/dbraw/zinc/86/77/79/814867779.db2.gz WXBKOKJHERIQBB-UHFFFAOYSA-N 0 0 282.116 3.309 20 10 CGCDRN COCOc1ccc(N(C)c2ccc(N)cc2)c(OC)c1 ZINC001216289010 815768998 /nfs/dbraw/zinc/76/89/98/815768998.db2.gz JYYISBCHWORSSM-UHFFFAOYSA-N 0 0 288.347 3.028 20 10 CGCDRN CCOc1ccc(-c2ccnc3c2ccn3C)c(C)n1 ZINC001222117024 816351497 /nfs/dbraw/zinc/35/14/97/816351497.db2.gz WLCUZOYCZZQVNK-UHFFFAOYSA-N 0 0 267.332 3.342 20 10 CGCDRN 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C/C(=C\c1cccnc1)C(=O)N[C@H](C)c1ccccc1O ZINC001587446980 963194502 /nfs/dbraw/zinc/19/45/02/963194502.db2.gz FDZQWDVJBVZYOV-RSKUSDAESA-N 0 0 282.343 3.068 20 10 CGCDRN C[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1O ZINC001587451412 963196229 /nfs/dbraw/zinc/19/62/29/963196229.db2.gz UERJGLVRIFWMKX-QMMMGPOBSA-N 0 0 295.260 3.301 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccccc1 ZINC001587750121 963221531 /nfs/dbraw/zinc/22/15/31/963221531.db2.gz LGXRXZAIYVHBBM-OAHLLOKOSA-N 0 0 297.354 3.004 20 10 CGCDRN Cn1c(C(=O)N2Cc3cccc(O)c3C2)cc2ccccc21 ZINC001587928045 963234748 /nfs/dbraw/zinc/23/47/48/963234748.db2.gz HTLHITAOZMRYSH-UHFFFAOYSA-N 0 0 292.338 3.040 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@]1(C)C(=O)[O-] ZINC001599929239 985275280 /nfs/dbraw/zinc/27/52/80/985275280.db2.gz ASGUFZCTVGZHJM-SGTLLEGYSA-N 0 0 299.370 3.088 20 10 CGCDRN C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001593776939 996481195 /nfs/dbraw/zinc/48/11/95/996481195.db2.gz VHUMUMIOPOVEMF-GOSISDBHSA-N 0 0 299.370 3.232 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051992126 260209983 /nfs/dbraw/zinc/20/99/83/260209983.db2.gz XERHDRRYQARZLK-VXGBXAGGSA-N 0 0 290.190 3.092 20 10 CGCDRN Cc1cc2c(ncnc2N(C)Cc2ccccc2O)s1 ZINC000090141014 345784246 /nfs/dbraw/zinc/78/42/46/345784246.db2.gz XMGLWKMHQBWEBJ-UHFFFAOYSA-N 0 0 285.372 3.342 20 10 CGCDRN c1csc(SCc2ccc(-n3ccnc3)nc2)n1 ZINC000175253150 346247463 /nfs/dbraw/zinc/24/74/63/346247463.db2.gz HBGYOXRXCMKGAS-UHFFFAOYSA-N 0 0 274.374 3.016 20 10 CGCDRN CCc1ncnc(N[C@@H](C)c2ccc(N(C)C)cc2)c1F ZINC000302454654 346441628 /nfs/dbraw/zinc/44/16/28/346441628.db2.gz UFERVAHLFZMVDD-NSHDSACASA-N 0 0 288.370 3.417 20 10 CGCDRN C[C@H]([NH2+]C1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273910203 299273360 /nfs/dbraw/zinc/27/33/60/299273360.db2.gz XLODMAGUNXLKAP-NSHDSACASA-N 0 0 298.342 3.118 20 10 CGCDRN CCC[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000297447409 283523124 /nfs/dbraw/zinc/52/31/24/283523124.db2.gz WRWZYFPGJQDVKH-ZJUUUORDSA-N 0 0 273.323 3.136 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000287557638 371673123 /nfs/dbraw/zinc/67/31/23/371673123.db2.gz PZRSJQJZPDOXDM-HUBLWGQQSA-N 0 0 281.371 3.245 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccccc2N(C)C)c1 ZINC000153169043 371754205 /nfs/dbraw/zinc/75/42/05/371754205.db2.gz WERNLWUAWNWJIF-MDZDMXLPSA-N 0 0 295.386 3.132 20 10 CGCDRN CCc1cc(O)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000295193580 372698745 /nfs/dbraw/zinc/69/87/45/372698745.db2.gz LOZABFQELVUPSU-UHFFFAOYSA-N 0 0 281.377 3.154 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2O)C[C@@H]1C ZINC000294984192 372681627 /nfs/dbraw/zinc/68/16/27/372681627.db2.gz YMPSDGHPNZRHBK-RDBSUJKOSA-N 0 0 275.392 3.423 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCOC1 ZINC000295399585 372765602 /nfs/dbraw/zinc/76/56/02/372765602.db2.gz QNYJVVPZFXIVAZ-SNVBAGLBSA-N 0 0 287.762 3.043 20 10 CGCDRN CC(C)N(Cc1cnns1)Cc1ccc(N(C)C)cc1 ZINC000295626457 372853291 /nfs/dbraw/zinc/85/32/91/372853291.db2.gz WYHWZOSIIJGPHE-UHFFFAOYSA-N 0 0 290.436 3.015 20 10 CGCDRN CN1CCOc2ccc(N[C@H]3CCc4cccc(O)c43)cc21 ZINC000296372242 373108742 /nfs/dbraw/zinc/10/87/42/373108742.db2.gz IUFQWKSIXUCLQZ-AWEZNQCLSA-N 0 0 296.370 3.320 20 10 CGCDRN CC(C)c1nnc(CN[C@@H](C)c2cc(Cl)ccc2O)[nH]1 ZINC000296440481 373135595 /nfs/dbraw/zinc/13/55/95/373135595.db2.gz MGBDPCUKEIMOIQ-VIFPVBQESA-N 0 0 294.786 3.138 20 10 CGCDRN CCOc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1CO ZINC000296599377 373188903 /nfs/dbraw/zinc/18/89/03/373188903.db2.gz XLVCUGNMLXLFFZ-OAHLLOKOSA-N 0 0 299.370 3.383 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H](c2ccccc2)C2CC2)cc1 ZINC000297176960 373258853 /nfs/dbraw/zinc/25/88/53/373258853.db2.gz KUJVFWNADZJBME-QGZVFWFLSA-N 0 0 280.371 3.079 20 10 CGCDRN Cc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000179694373 373905725 /nfs/dbraw/zinc/90/57/25/373905725.db2.gz UUASWGKNSUGXRT-UHFFFAOYSA-N 0 0 286.331 3.241 20 10 CGCDRN C[N@H+](CCC1CCOCC1)Cc1cccc(Cl)c1[O-] ZINC000180379942 373996233 /nfs/dbraw/zinc/99/62/33/373996233.db2.gz GPHAYQYZKYIXSA-UHFFFAOYSA-N 0 0 283.799 3.294 20 10 CGCDRN COC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccco1 ZINC000182531575 374287623 /nfs/dbraw/zinc/28/76/23/374287623.db2.gz PXBAGTMMTOCCEM-LBPRGKRZSA-N 0 0 281.739 3.116 20 10 CGCDRN CCCC(O)(CCC)C[NH2+][C@@H](C)c1ccccc1O ZINC000183521895 374421747 /nfs/dbraw/zinc/42/17/47/374421747.db2.gz BOEHEKCNDFEUTI-ZDUSSCGKSA-N 0 0 265.397 3.374 20 10 CGCDRN C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccccc1O ZINC000183698755 374442495 /nfs/dbraw/zinc/44/24/95/374442495.db2.gz SFDKGPQOWVPOON-GFCCVEGCSA-N 0 0 284.359 3.394 20 10 CGCDRN CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187727007 375080704 /nfs/dbraw/zinc/08/07/04/375080704.db2.gz UFVSSCDMTZHQNE-SFYZADRCSA-N 0 0 261.337 3.073 20 10 CGCDRN CC1CCC(N(C(=O)c2cccc(O)c2O)C2CC2)CC1 ZINC000188307506 375193862 /nfs/dbraw/zinc/19/38/62/375193862.db2.gz SGHWBZHCZLTTQY-UHFFFAOYSA-N 0 0 289.375 3.281 20 10 CGCDRN COC(=O)[C@H](NCc1ccccc1O)c1cc(C)cc(C)c1 ZINC000189624122 375425678 /nfs/dbraw/zinc/42/56/78/375425678.db2.gz QKCAEKYONPPEHH-QGZVFWFLSA-N 0 0 299.370 3.013 20 10 CGCDRN CC(C)N(CC1CCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000193015984 375815646 /nfs/dbraw/zinc/81/56/46/375815646.db2.gz GNYVEVIFDWRLHA-VQHVLOKHSA-N 0 0 289.375 3.148 20 10 CGCDRN COc1cccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c1O ZINC000263655745 377949299 /nfs/dbraw/zinc/94/92/99/377949299.db2.gz FWDXRHRITDUCQA-BXUZGUMPSA-N 0 0 287.359 3.407 20 10 CGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1ccccc1O ZINC000268557857 378073817 /nfs/dbraw/zinc/07/38/17/378073817.db2.gz JJJDBEMPVBBVCL-MRXNPFEDSA-N 0 0 291.391 3.136 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCS2)cc1 ZINC000266537416 378023612 /nfs/dbraw/zinc/02/36/12/378023612.db2.gz KZBHKUDWNISGJR-OAHLLOKOSA-N 0 0 292.448 3.045 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)SC ZINC000270267277 378329290 /nfs/dbraw/zinc/32/92/90/378329290.db2.gz VLIIYUJYWNDABX-ZDUSSCGKSA-N 0 0 294.464 3.243 20 10 CGCDRN Cc1cc(C(=O)N2CCC=C(F)C2)c(C)n1-c1ccccn1 ZINC000272159876 378574550 /nfs/dbraw/zinc/57/45/50/378574550.db2.gz XBIPNSBENWWEPT-UHFFFAOYSA-N 0 0 299.349 3.188 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000273145234 378737264 /nfs/dbraw/zinc/73/72/64/378737264.db2.gz POKMIEZXZPPWPP-IAGOWNOFSA-N 0 0 275.392 3.056 20 10 CGCDRN Cc1cnccc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000273463052 378748407 /nfs/dbraw/zinc/74/84/07/378748407.db2.gz IJPJDFWISQCOCA-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN CC(C)CCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273593401 378755499 /nfs/dbraw/zinc/75/54/99/378755499.db2.gz PWFMILHJUSUVFE-GFCCVEGCSA-N 0 0 296.367 3.014 20 10 CGCDRN C[C@@H](N[C@H](C)c1ccc2ccccc2c1O)c1ncn(C)n1 ZINC000275636716 378958943 /nfs/dbraw/zinc/95/89/43/378958943.db2.gz BZTFVZHGXJAQDS-VXGBXAGGSA-N 0 0 296.374 3.086 20 10 CGCDRN CCCC[N@H+](CCCOC)Cc1ccccc1O ZINC000282388230 379908412 /nfs/dbraw/zinc/90/84/12/379908412.db2.gz GPUNBLFHPSTLEN-UHFFFAOYSA-N 0 0 251.370 3.031 20 10 CGCDRN CCCC[N@H+](Cc1cc(C)on1)Cc1ccccc1O ZINC000282559314 379945725 /nfs/dbraw/zinc/94/57/25/379945725.db2.gz YFWJUBYHPBYWGI-UHFFFAOYSA-N 0 0 274.364 3.491 20 10 CGCDRN Cc1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)no1 ZINC000284313646 380139468 /nfs/dbraw/zinc/13/94/68/380139468.db2.gz ZKGPYCLPDOTGPF-ZDUSSCGKSA-N 0 0 285.391 3.216 20 10 CGCDRN CC[C@@H]([NH2+]CCCOC(C)C)c1ccc(F)cc1[O-] ZINC000285476436 380148467 /nfs/dbraw/zinc/14/84/67/380148467.db2.gz BEPBNGWZULIEFC-CQSZACIVSA-N 0 0 269.360 3.387 20 10 CGCDRN COC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000297309306 533005921 /nfs/dbraw/zinc/00/59/21/533005921.db2.gz MTEWICUTJMMRGM-LLVKDONJSA-N 0 0 267.344 3.141 20 10 CGCDRN COCCc1ccccc1NCc1cc(OC)ccc1O ZINC000191679968 533324626 /nfs/dbraw/zinc/32/46/26/533324626.db2.gz ZKGDVHTXDSUXRG-UHFFFAOYSA-N 0 0 287.359 3.202 20 10 CGCDRN CC[C@H](CC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000104853156 392280240 /nfs/dbraw/zinc/28/02/40/392280240.db2.gz JZLTWCCPNPMZHI-CYBMUJFWSA-N 0 0 263.381 3.423 20 10 CGCDRN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121218309 392411260 /nfs/dbraw/zinc/41/12/60/392411260.db2.gz UTQUXQVYOQHHLW-LLVKDONJSA-N 0 0 291.782 3.148 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000297186655 392566450 /nfs/dbraw/zinc/56/64/50/392566450.db2.gz FDVGZNVEURUPBA-BXUZGUMPSA-N 0 0 285.815 3.495 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCc1nc(C2CC2)no1 ZINC000178195163 392674373 /nfs/dbraw/zinc/67/43/73/392674373.db2.gz FKHXRSIYOAQLSY-UHFFFAOYSA-N 0 0 285.347 3.126 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[C@H]1C ZINC000346277049 393082558 /nfs/dbraw/zinc/08/25/58/393082558.db2.gz UXVGYNXTAPVENN-RISCZKNCSA-N 0 0 285.391 3.084 20 10 CGCDRN Cc1nnc(N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000267261491 393187901 /nfs/dbraw/zinc/18/79/01/393187901.db2.gz WSZIRTCVGJTLBG-UHFFFAOYSA-N 0 0 288.420 3.082 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000734389442 572654721 /nfs/dbraw/zinc/65/47/21/572654721.db2.gz IEMLZDHCVOUYRV-NSHDSACASA-N 0 0 280.387 3.190 20 10 CGCDRN COc1ccc(O)c(CNc2cc(F)ccc2C)c1 ZINC000020091416 170990439 /nfs/dbraw/zinc/99/04/39/170990439.db2.gz RAWXFTCVWVAZNY-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CC[C@H](C)[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323243 173123206 /nfs/dbraw/zinc/12/32/06/173123206.db2.gz MSLLEPFGTAIJMS-JTQLQIEISA-N 0 0 267.344 3.354 20 10 CGCDRN Cc1ccc(O)c(CNc2ccccc2[N+](=O)[O-])c1 ZINC000071407632 176156309 /nfs/dbraw/zinc/15/63/09/176156309.db2.gz VXFAXHGRSRPZDH-UHFFFAOYSA-N 0 0 258.277 3.221 20 10 CGCDRN Cc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302428082 227848488 /nfs/dbraw/zinc/84/84/88/227848488.db2.gz PCIOQGRYNXNUMO-GFCCVEGCSA-N 0 0 256.353 3.024 20 10 CGCDRN CCCn1ncnc1COc1ccc2c(c1)c(C)c(C)n2C ZINC000664097841 419826524 /nfs/dbraw/zinc/82/65/24/419826524.db2.gz GTWOWWRHAWUCTG-UHFFFAOYSA-N 0 0 298.390 3.376 20 10 CGCDRN COCc1ccccc1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000037500105 260113810 /nfs/dbraw/zinc/11/38/10/260113810.db2.gz IATWERCFIUHUEU-UHFFFAOYSA-N 0 0 285.387 3.440 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000051992124 260210334 /nfs/dbraw/zinc/21/03/34/260210334.db2.gz XERHDRRYQARZLK-RYUDHWBXSA-N 0 0 290.190 3.092 20 10 CGCDRN CCCC[C@H](CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183458062 261975932 /nfs/dbraw/zinc/97/59/32/261975932.db2.gz RXLPCEUSNFJRDP-JSGCOSHPSA-N 0 0 293.407 3.361 20 10 CGCDRN CC(C)C[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000185049119 262039340 /nfs/dbraw/zinc/03/93/40/262039340.db2.gz WXCWPHKTWIZHKD-CYBMUJFWSA-N 0 0 262.397 3.051 20 10 CGCDRN CCc1nc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cs1 ZINC000185310675 262050383 /nfs/dbraw/zinc/05/03/83/262050383.db2.gz NPAXFIJUUQNCQX-JTQLQIEISA-N 0 0 294.395 3.444 20 10 CGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185454041 262054938 /nfs/dbraw/zinc/05/49/38/262054938.db2.gz ZIDMHZPBRRSCTG-PXAZEXFGSA-N 0 0 289.350 3.090 20 10 CGCDRN C[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185456607 262055310 /nfs/dbraw/zinc/05/53/10/262055310.db2.gz ARZXPPQIMNHZRM-HTQZYQBOSA-N 0 0 278.179 3.121 20 10 CGCDRN CCCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186436418 262093427 /nfs/dbraw/zinc/09/34/27/262093427.db2.gz HLGHCDZZEJEFGO-GFCCVEGCSA-N 0 0 279.380 3.115 20 10 CGCDRN CCN(Cc1cc(Cl)cc(OC)c1O)CC(F)F ZINC000184745400 262298300 /nfs/dbraw/zinc/29/83/00/262298300.db2.gz JATHTVVEHUBFOQ-UHFFFAOYSA-N 0 0 279.714 3.141 20 10 CGCDRN CC(C)c1cc(NCc2ccc(N(C)C)cc2)no1 ZINC000272287782 263003088 /nfs/dbraw/zinc/00/30/88/263003088.db2.gz UQGKBKJXERKXAN-UHFFFAOYSA-N 0 0 259.353 3.476 20 10 CGCDRN CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000277000311 263039166 /nfs/dbraw/zinc/03/91/66/263039166.db2.gz ZDMJFXLFHRTKMA-ZUZCIYMTSA-N 0 0 299.361 3.118 20 10 CGCDRN CC(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000160873449 264262311 /nfs/dbraw/zinc/26/23/11/264262311.db2.gz APXQTLUYKURWGR-INIZCTEOSA-N 0 0 274.408 3.239 20 10 CGCDRN CO[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000377273762 268063081 /nfs/dbraw/zinc/06/30/81/268063081.db2.gz RFGXAGKSCAGSGR-JTQLQIEISA-N 0 0 287.762 3.186 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000294254215 287650042 /nfs/dbraw/zinc/65/00/42/287650042.db2.gz QEMDVKIAZKVHLT-ZIBATOQPSA-N 0 0 269.360 3.243 20 10 CGCDRN CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282766809 277037718 /nfs/dbraw/zinc/03/77/18/277037718.db2.gz VWIIUXYMRDWAAA-NSHDSACASA-N 0 0 280.799 3.212 20 10 CGCDRN Cc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1F ZINC000264354694 278619711 /nfs/dbraw/zinc/61/97/11/278619711.db2.gz GFDOMQJDWLGXIG-KPKJPENVSA-N 0 0 293.388 3.498 20 10 CGCDRN C[C@H](C[N@H+](C)Cc1cccc(F)c1[O-])c1nccs1 ZINC000273168730 279281437 /nfs/dbraw/zinc/28/14/37/279281437.db2.gz MAIYRGCQNTUDEH-SNVBAGLBSA-N 0 0 280.368 3.223 20 10 CGCDRN Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000280648186 292697813 /nfs/dbraw/zinc/69/78/13/292697813.db2.gz NJJRBWDLBKJPGD-ZDUSSCGKSA-N 0 0 297.354 3.036 20 10 CGCDRN C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(F)cc1[O-] ZINC000185750608 327844204 /nfs/dbraw/zinc/84/42/04/327844204.db2.gz GPFHCZYWZSKWAL-JTQLQIEISA-N 0 0 294.757 3.473 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000286075572 328248997 /nfs/dbraw/zinc/24/89/97/328248997.db2.gz LGDUKUIYMSEAAE-SUHUHFCYSA-N 0 0 267.344 3.140 20 10 CGCDRN Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527804723 330284426 /nfs/dbraw/zinc/28/44/26/330284426.db2.gz ABDRFGSFCXCIFB-ZDUSSCGKSA-N 0 0 294.826 3.152 20 10 CGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1cc(F)ccc1F ZINC000105371256 330326384 /nfs/dbraw/zinc/32/63/84/330326384.db2.gz SONNJFATQGWDSX-GORDUTHDSA-N 0 0 292.260 3.175 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CC=CCC1 ZINC000471242066 331504767 /nfs/dbraw/zinc/50/47/67/331504767.db2.gz HNQHHJNDAVKXRI-AWEZNQCLSA-N 0 0 282.387 3.459 20 10 CGCDRN C[C@@H]1CCN(C(=O)/C=C\c2cnccn2)c2ccccc21 ZINC000491151407 332157252 /nfs/dbraw/zinc/15/72/52/332157252.db2.gz LUVZHMPTJMBZCW-FMFIFOJESA-N 0 0 279.343 3.030 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cccnc2)c1 ZINC000491433499 332210785 /nfs/dbraw/zinc/21/07/85/332210785.db2.gz DWWULHWLZYZZMS-CMDGGOBGSA-N 0 0 252.317 3.066 20 10 CGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1cnccc1C ZINC000492418988 332396628 /nfs/dbraw/zinc/39/66/28/332396628.db2.gz RLMWHCVPRWNJFZ-ZZXKWVIFSA-N 0 0 294.354 3.001 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1cc(F)ccc1O ZINC000230671493 333320473 /nfs/dbraw/zinc/32/04/73/333320473.db2.gz NELFVQBAAICRND-SECBINFHSA-N 0 0 263.316 3.000 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1Cc2ccccc2C1 ZINC000231036610 333323752 /nfs/dbraw/zinc/32/37/52/333323752.db2.gz QXMPPZWRXXWVDV-UHFFFAOYSA-N 0 0 273.763 3.303 20 10 CGCDRN CC(C)N(Cc1cccs1)C(=O)Cc1ccc(N)cc1 ZINC000049025709 519661234 /nfs/dbraw/zinc/66/12/34/519661234.db2.gz MQDUZMBEIIILAR-UHFFFAOYSA-N 0 0 288.416 3.310 20 10 CGCDRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000193138529 520671584 /nfs/dbraw/zinc/67/15/84/520671584.db2.gz KHCBZTPEMAEGAQ-YPMHNXCESA-N 0 0 277.364 3.139 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C(\C)C1CC1 ZINC000298995494 521316466 /nfs/dbraw/zinc/31/64/66/521316466.db2.gz JAWNHBNBVWVXJU-WYMLVPIESA-N 0 0 286.419 3.457 20 10 CGCDRN CCOc1cccc(CNc2ccc3c(c2)CCO3)c1O ZINC000037103846 521377634 /nfs/dbraw/zinc/37/76/34/521377634.db2.gz TXTJCOYFRYCKNU-UHFFFAOYSA-N 0 0 285.343 3.338 20 10 CGCDRN CCN(Cc1nc(C)c(C)o1)c1ccc(OC)c(OC)c1 ZINC000299270314 521448972 /nfs/dbraw/zinc/44/89/72/521448972.db2.gz JEXSPRIVYOPCIA-UHFFFAOYSA-N 0 0 290.363 3.335 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)o1 ZINC000066096821 521689937 /nfs/dbraw/zinc/68/99/37/521689937.db2.gz TUYJDDJGJAYIBC-UHFFFAOYSA-N 0 0 273.332 3.346 20 10 CGCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1nc(CC)no1 ZINC000076074340 521691201 /nfs/dbraw/zinc/69/12/01/521691201.db2.gz XRUHUHYOOQCRST-LBPRGKRZSA-N 0 0 289.379 3.311 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000077642787 522165694 /nfs/dbraw/zinc/16/56/94/522165694.db2.gz MBGRGAFVQRXOAG-OAHLLOKOSA-N 0 0 287.407 3.003 20 10 CGCDRN CC[C@H](Nc1ccc(CCO)cc1)c1ccccc1O ZINC000040738026 522767978 /nfs/dbraw/zinc/76/79/78/522767978.db2.gz BCLBHBKTHBMYJM-INIZCTEOSA-N 0 0 271.360 3.490 20 10 CGCDRN CC[C@H](Nc1cnn(CC)c1)c1ccc(C)cc1O ZINC000280193680 522777711 /nfs/dbraw/zinc/77/77/11/522777711.db2.gz SKCQHGUMQDKANU-AWEZNQCLSA-N 0 0 259.353 3.480 20 10 CGCDRN CCc1noc(NCc2c(C)c3ccccc3n2C)n1 ZINC000292598099 522900963 /nfs/dbraw/zinc/90/09/63/522900963.db2.gz BUCVHFAWPBCWQJ-UHFFFAOYSA-N 0 0 270.336 3.044 20 10 CGCDRN CCn1c(C)cc(C(=O)N(C)Cc2ccccc2O)c1C ZINC000101645731 523128325 /nfs/dbraw/zinc/12/83/25/523128325.db2.gz XSHKVGRXBMHOBN-UHFFFAOYSA-N 0 0 286.375 3.103 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCCC1(F)F ZINC000294728955 523383185 /nfs/dbraw/zinc/38/31/85/523383185.db2.gz BMDDIAKREAICGL-GFCCVEGCSA-N 0 0 283.318 3.176 20 10 CGCDRN COc1ccc(C(=O)NCc2ccccc2O)cc1C1CC1 ZINC000278365382 523715290 /nfs/dbraw/zinc/71/52/90/523715290.db2.gz HVPXHBUPOUCQTN-UHFFFAOYSA-N 0 0 297.354 3.208 20 10 CGCDRN CCc1ccc(C(C)(C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000237152085 523901647 /nfs/dbraw/zinc/90/16/47/523901647.db2.gz YNVBJTKEQHZOET-UHFFFAOYSA-N 0 0 296.414 3.425 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2ccccc2O)c(C)c1 ZINC000299604222 524297928 /nfs/dbraw/zinc/29/79/28/524297928.db2.gz WGSMUHXXRSAPSE-UHFFFAOYSA-N 0 0 283.371 3.258 20 10 CGCDRN COc1ccc(N(C)CC2(SC)CC2)cc1F ZINC000290384441 524351635 /nfs/dbraw/zinc/35/16/35/524351635.db2.gz OELQOJBJVAIVAF-UHFFFAOYSA-N 0 0 255.358 3.166 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)cs2)c(OC)c1 ZINC000131722405 524355682 /nfs/dbraw/zinc/35/56/82/524355682.db2.gz HGPWKBKLJPIANP-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN Cc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273411952 524437320 /nfs/dbraw/zinc/43/73/20/524437320.db2.gz PXAFHCCVCBRFTA-GFCCVEGCSA-N 0 0 286.331 3.460 20 10 CGCDRN C[C@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO[C@H]1C1CC1 ZINC000365129955 525297357 /nfs/dbraw/zinc/29/73/57/525297357.db2.gz AMFXRXMNNKMEOS-GJZGRUSLSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278336710 525503459 /nfs/dbraw/zinc/50/34/59/525503459.db2.gz XADDQEQNGAXICI-RKDXNWHRSA-N 0 0 290.190 3.386 20 10 CGCDRN COc1cccc(CNc2ccc(C)nc2C)c1O ZINC000094664605 526041174 /nfs/dbraw/zinc/04/11/74/526041174.db2.gz TZQOZEASEXIULY-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN COc1cccc(CNc2c(C)cccc2[N+](=O)[O-])c1O ZINC000120606361 526041653 /nfs/dbraw/zinc/04/16/53/526041653.db2.gz LVHDQKMLHWYJBC-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)c(O)c1O ZINC000272765303 526105943 /nfs/dbraw/zinc/10/59/43/526105943.db2.gz LZBAEUIYTJVPFW-LBPRGKRZSA-N 0 0 277.364 3.057 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CC(F)(F)C1 ZINC000292781227 526327324 /nfs/dbraw/zinc/32/73/24/526327324.db2.gz LKRQACZKCJGDOH-UHFFFAOYSA-N 0 0 261.699 3.181 20 10 CGCDRN O=C(CC1CCC1)NCc1c(O)ccc2c1CCCC2 ZINC000075160050 526350663 /nfs/dbraw/zinc/35/06/63/526350663.db2.gz OEFFKZCDIHOJQY-UHFFFAOYSA-N 0 0 273.376 3.077 20 10 CGCDRN FC(F)(F)C(F)(F)COCCSc1nccs1 ZINC000188977166 527662530 /nfs/dbraw/zinc/66/25/30/527662530.db2.gz FZQMRZAZQDZTMM-UHFFFAOYSA-N 0 0 293.282 3.449 20 10 CGCDRN CCN(C(=O)/C=C/c1cncs1)c1ccccc1 ZINC000493375415 535655423 /nfs/dbraw/zinc/65/54/23/535655423.db2.gz YKBQKMNJJUPRIU-CMDGGOBGSA-N 0 0 258.346 3.209 20 10 CGCDRN Cc1cccc(C2(C(=O)NCc3ccccc3O)CC2)c1 ZINC000728713702 571816219 /nfs/dbraw/zinc/81/62/19/571816219.db2.gz FVUNGKYEQDUVBD-UHFFFAOYSA-N 0 0 281.355 3.049 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2)c1 ZINC000728939031 571849933 /nfs/dbraw/zinc/84/99/33/571849933.db2.gz WQJLSJJUGSNTNS-NSHDSACASA-N 0 0 286.331 3.284 20 10 CGCDRN CCN1C(=O)/C(=C/c2ccc(F)cc2C)SC1=S ZINC000750900844 572333370 /nfs/dbraw/zinc/33/33/70/572333370.db2.gz RCMFNESTSFULMU-XFFZJAGNSA-N 0 0 281.377 3.355 20 10 CGCDRN C[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CCC1 ZINC000737454561 572345744 /nfs/dbraw/zinc/34/57/44/572345744.db2.gz UUAADIASQUWLBI-UHFFFAOYSA-N 0 0 285.343 3.228 20 10 CGCDRN 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O=C(NCc1cc2ccccc2o1)C1=CC(=O)CS1 ZINC000732272329 572457423 /nfs/dbraw/zinc/45/74/23/572457423.db2.gz QDUCKECRDYSXMD-UHFFFAOYSA-N 0 0 273.313 3.130 20 10 CGCDRN C[C@@H](c1ccccc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732257783 572458044 /nfs/dbraw/zinc/45/80/44/572458044.db2.gz BLVIXMOJODZGEQ-JTQLQIEISA-N 0 0 261.346 3.287 20 10 CGCDRN C[C@H]1CCCC[C@@H]1OCCOC(=O)C1=CC(=O)CS1 ZINC000732353989 572461076 /nfs/dbraw/zinc/46/10/76/572461076.db2.gz XTMFCYXEZYTFKI-JQWIXIFHSA-N 0 0 284.377 3.206 20 10 CGCDRN O=C(COC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC000732354431 572461115 /nfs/dbraw/zinc/46/11/15/572461115.db2.gz LXTXJINJOUSKFO-UHFFFAOYSA-N 0 0 296.731 3.147 20 10 CGCDRN CCOc1ccc(N(CC)CCOC[C@H]2CCCO2)cc1 ZINC000741245006 572489638 /nfs/dbraw/zinc/48/96/38/572489638.db2.gz NGBMSKWKJPTAEY-QGZVFWFLSA-N 0 0 293.407 3.107 20 10 CGCDRN O=C(NCCc1ccc(F)cc1Cl)C1=CC(=O)CS1 ZINC000733367506 572559421 /nfs/dbraw/zinc/55/94/21/572559421.db2.gz NTEMUGGXFZXEDX-UHFFFAOYSA-N 0 0 299.754 3.219 20 10 CGCDRN CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000743395711 572656637 /nfs/dbraw/zinc/65/66/37/572656637.db2.gz LFFWVDMZUGARPD-KRWDZBQOSA-N 0 0 291.460 3.454 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)cc1 ZINC000743719762 572681082 /nfs/dbraw/zinc/68/10/82/572681082.db2.gz RBFPJCZJHKGJND-UHFFFAOYSA-N 0 0 299.345 3.340 20 10 CGCDRN Cc1ccc(CC[C@@H](C)NC(=O)C2=CC(=O)CS2)o1 ZINC000743718758 572681455 /nfs/dbraw/zinc/68/14/55/572681455.db2.gz ROTQNKUBBRTQIH-SECBINFHSA-N 0 0 279.361 3.106 20 10 CGCDRN CCN(CC(=O)Nc1cccc(C)c1)c1ccc(OC)cc1 ZINC000746109264 572853599 /nfs/dbraw/zinc/85/35/99/572853599.db2.gz NLVXDROAWGKCPC-UHFFFAOYSA-N 0 0 298.386 3.469 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H]2CCCCO2)cc1 ZINC000746159022 572857668 /nfs/dbraw/zinc/85/76/68/572857668.db2.gz MUJBHNFQMVBZIK-INIZCTEOSA-N 0 0 263.381 3.481 20 10 CGCDRN CCOc1ccc(N(CC)Cc2ncc(Cl)n2C)cc1 ZINC000746159487 572857835 /nfs/dbraw/zinc/85/78/35/572857835.db2.gz SZZOKVSTVQLEIL-UHFFFAOYSA-N 0 0 293.798 3.499 20 10 CGCDRN COc1ccc(N(CC(C)C)C[C@@H]2CCOC2)cc1 ZINC000746169927 572858480 /nfs/dbraw/zinc/85/84/80/572858480.db2.gz GUKHJEJHRZQSAX-AWEZNQCLSA-N 0 0 263.381 3.194 20 10 CGCDRN Cc1cc(O)c(CNc2cccc(-c3nc[nH]n3)c2)cc1C ZINC000746475138 572873005 /nfs/dbraw/zinc/87/30/05/572873005.db2.gz LCTVCBOVIBNHKH-UHFFFAOYSA-N 0 0 294.358 3.406 20 10 CGCDRN CC(=O)c1ccc(NCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000748307967 572973753 /nfs/dbraw/zinc/97/37/53/572973753.db2.gz QLNAMGQSRZEQGL-UHFFFAOYSA-N 0 0 286.287 3.115 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccc2ncsc2c1 ZINC000748443337 572977192 /nfs/dbraw/zinc/97/71/92/572977192.db2.gz NLRCZKBTCIZJGM-UHFFFAOYSA-N 0 0 299.355 3.324 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)C1CCCC1 ZINC000749530235 573016373 /nfs/dbraw/zinc/01/63/73/573016373.db2.gz OOWFSPDFGPDTOB-LBPRGKRZSA-N 0 0 261.365 3.177 20 10 CGCDRN O=C(CC1CCCC1)NCc1cccc(Cl)c1O ZINC000890758576 617814764 /nfs/dbraw/zinc/81/47/64/617814764.db2.gz QCEXIVVLQLBRNA-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN O=C(CSc1ccc(F)cc1F)c1ccc(O)c(O)c1 ZINC000035013636 617612881 /nfs/dbraw/zinc/61/28/81/617612881.db2.gz FMGZDSHAHBLRSY-UHFFFAOYSA-N 0 0 296.294 3.351 20 10 CGCDRN C[C@H](CCc1ccco1)NC(=O)Nc1ccc(N)cc1 ZINC000049570751 617617414 /nfs/dbraw/zinc/61/74/14/617617414.db2.gz YLUZASBOAIGAAX-LLVKDONJSA-N 0 0 273.336 3.005 20 10 CGCDRN CN1C(=O)/C(=C/c2ccc(Cl)s2)SC1=S ZINC000254971657 617707195 /nfs/dbraw/zinc/70/71/95/617707195.db2.gz BPCLGLLWMSSILQ-XQRVVYSFSA-N 0 0 275.807 3.233 20 10 CGCDRN O=C(NCCO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255020146 617751065 /nfs/dbraw/zinc/75/10/65/617751065.db2.gz ACFWTEHYAFJCPE-UHFFFAOYSA-N 0 0 284.319 3.216 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1cccc(Cl)c1[O-] ZINC000806169998 617802237 /nfs/dbraw/zinc/80/22/37/617802237.db2.gz UPRFQQDSRBFSLZ-SMDDNHRTSA-N 0 0 285.815 3.351 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890759342 617815626 /nfs/dbraw/zinc/81/56/26/617815626.db2.gz JZIDVBYDAHIJRP-UWVGGRQHSA-N 0 0 269.772 3.344 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC000049740479 617816819 /nfs/dbraw/zinc/81/68/19/617816819.db2.gz SMYXJPGHEFLEFR-UHFFFAOYSA-N 0 0 295.386 3.002 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)c1[nH]ccc1C1CC1 ZINC000890761427 617817443 /nfs/dbraw/zinc/81/74/43/617817443.db2.gz RHYFNJHTPJCBNC-UHFFFAOYSA-N 0 0 290.750 3.181 20 10 CGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccsc2)c1O ZINC000050134119 618053539 /nfs/dbraw/zinc/05/35/39/618053539.db2.gz OKABQOWEZLCGDX-UHFFFAOYSA-N 0 0 293.363 3.427 20 10 CGCDRN CCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000083469793 618065678 /nfs/dbraw/zinc/06/56/78/618065678.db2.gz CBRCIJIYMJSTJU-ZDUSSCGKSA-N 0 0 292.206 3.340 20 10 CGCDRN O=C(NCCCSc1nccs1)N[C@H]1CC=CCC1 ZINC000177830836 618117708 /nfs/dbraw/zinc/11/77/08/618117708.db2.gz FCUXNVGMXGLTIY-NSHDSACASA-N 0 0 297.449 3.033 20 10 CGCDRN COc1ccc(O)c(CNC(=O)CC2CCCCCC2)c1 ZINC000176158257 618381305 /nfs/dbraw/zinc/38/13/05/618381305.db2.gz JAXVFVONJJKHPY-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN OCCCCCCSc1ncc(Cl)s1 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ZINC000194602071 619141951 /nfs/dbraw/zinc/14/19/51/619141951.db2.gz NAYWMTGCUHTIPU-LBPRGKRZSA-N 0 0 267.756 3.478 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cccc(CCO)c2)c1 ZINC000313160816 619164358 /nfs/dbraw/zinc/16/43/58/619164358.db2.gz LIKFHCBTVHCQIH-LBPRGKRZSA-N 0 0 287.359 3.109 20 10 CGCDRN CC(C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000163082283 619262538 /nfs/dbraw/zinc/26/25/38/619262538.db2.gz VBRCJVPKVOZXQN-GFCCVEGCSA-N 0 0 295.402 3.126 20 10 CGCDRN COc1ccc(F)c(NCc2cccc(OC)c2O)c1 ZINC000094854811 619288462 /nfs/dbraw/zinc/28/84/62/619288462.db2.gz VULGXPYPRKHDFW-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000236653917 619304856 /nfs/dbraw/zinc/30/48/56/619304856.db2.gz JCIPKDKKGGQUML-UHFFFAOYSA-N 0 0 264.325 3.113 20 10 CGCDRN COc1cc(C)cc(CNc2cnn(C(C)C)c2)c1O ZINC000894391609 619516344 /nfs/dbraw/zinc/51/63/44/619516344.db2.gz GEUISWGUIPOKDS-UHFFFAOYSA-N 0 0 275.352 3.099 20 10 CGCDRN CCc1c[nH]c2ncnc(NCc3cc(C)ccc3O)c12 ZINC000894724940 619618523 /nfs/dbraw/zinc/61/85/23/619618523.db2.gz BWTBQNFJHGCNGK-UHFFFAOYSA-N 0 0 282.347 3.146 20 10 CGCDRN CC1CCC(N(C)C(=O)Nc2ccc(N)cc2)CC1 ZINC000048970990 619669031 /nfs/dbraw/zinc/66/90/31/619669031.db2.gz COQXSRBBWIARGX-UHFFFAOYSA-N 0 0 261.369 3.311 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)C2CCCC2)c1 ZINC000749529729 619737886 /nfs/dbraw/zinc/73/78/86/619737886.db2.gz AADSUNKZPLIFKZ-VXGBXAGGSA-N 0 0 291.391 3.404 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(F)c(C)c2)cc1 ZINC000895138874 619750439 /nfs/dbraw/zinc/75/04/39/619750439.db2.gz SSOFJKRCSGTEJL-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2ccns2)cc1Cl ZINC000895451957 619832178 /nfs/dbraw/zinc/83/21/78/619832178.db2.gz HDPKVHDSJQBBEY-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN C[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895462320 619834074 /nfs/dbraw/zinc/83/40/74/619834074.db2.gz MJPAHXJPRSZLCG-VIFPVBQESA-N 0 0 291.372 3.327 20 10 CGCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(N)cc1 ZINC000841299022 619837088 /nfs/dbraw/zinc/83/70/88/619837088.db2.gz FEIMLZRTFBVDHM-TYNCELHUSA-N 0 0 273.380 3.454 20 10 CGCDRN COc1cc(C)cc(CNc2cnc(C)c(C)c2)c1O ZINC000895644824 619863701 /nfs/dbraw/zinc/86/37/01/619863701.db2.gz GCXHHWRFJDUBDM-UHFFFAOYSA-N 0 0 272.348 3.333 20 10 CGCDRN Cc1cnc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000185569027 625386068 /nfs/dbraw/zinc/38/60/68/625386068.db2.gz WWLKWVCJCGGLTJ-SECBINFHSA-N 0 0 266.341 3.147 20 10 CGCDRN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(F)F ZINC000883406787 620001072 /nfs/dbraw/zinc/00/10/72/620001072.db2.gz ATFOZCGWCUDJSM-SGUJLRQBSA-N 0 0 254.324 3.009 20 10 CGCDRN O=C(NCCCC1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000896453548 620009243 /nfs/dbraw/zinc/00/92/43/620009243.db2.gz FPMGKJSVWDTAIT-UHFFFAOYSA-N 0 0 291.372 3.233 20 10 CGCDRN COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000896608720 620036843 /nfs/dbraw/zinc/03/68/43/620036843.db2.gz AOBASWVBIOZDHJ-QMMMGPOBSA-N 0 0 275.751 3.088 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896644033 620039730 /nfs/dbraw/zinc/03/97/30/620039730.db2.gz VYXWKINQSSTYKN-ABAIWWIYSA-N 0 0 281.371 3.215 20 10 CGCDRN C[C@H](CCC(F)(F)F)[NH2+]Cc1c([O-])cccc1F ZINC000896638585 620041453 /nfs/dbraw/zinc/04/14/53/620041453.db2.gz VZZIEOBQLPZMCF-MRVPVSSYSA-N 0 0 265.250 3.352 20 10 CGCDRN Oc1cccc(F)c1CNCc1nc2c(s1)CCCC2 ZINC000896636807 620041743 /nfs/dbraw/zinc/04/17/43/620041743.db2.gz HROXPLAEPKYZOV-UHFFFAOYSA-N 0 0 292.379 3.156 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CCn3cccc3C2)cc1 ZINC000896761447 620057764 /nfs/dbraw/zinc/05/77/64/620057764.db2.gz ORBRWISAWLDNHL-HWKANZROSA-N 0 0 281.403 3.083 20 10 CGCDRN CC(C)CC(C)(C)C(=O)NCc1c(O)cccc1F ZINC000928704489 620207617 /nfs/dbraw/zinc/20/76/17/620207617.db2.gz AAAFUBKUPUTZTB-UHFFFAOYSA-N 0 0 267.344 3.220 20 10 CGCDRN CCCCCN(C(=O)NCCc1ccc(N)cc1)C(C)C ZINC000841957268 620289368 /nfs/dbraw/zinc/28/93/68/620289368.db2.gz QRCFIDDDPXTQFH-UHFFFAOYSA-N 0 0 291.439 3.422 20 10 CGCDRN CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841747477 620353306 /nfs/dbraw/zinc/35/33/06/620353306.db2.gz BMEXPNLQSDGFMK-XHDPSFHLSA-N 0 0 297.826 3.493 20 10 CGCDRN CCC[C@H](NC(=O)NCc1ccccc1O)c1ccccn1 ZINC000729607459 620402554 /nfs/dbraw/zinc/40/25/54/620402554.db2.gz ZSFYNMFUVXNZCH-HNNXBMFYSA-N 0 0 299.374 3.128 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCCC2(CC2)C1)c1ccccc1O ZINC000897762530 620424477 /nfs/dbraw/zinc/42/44/77/620424477.db2.gz PVVVJOKXUVEFMG-QWHCGFSZSA-N 0 0 288.391 3.475 20 10 CGCDRN CC(C)c1c[nH]c(C[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000898216199 620488806 /nfs/dbraw/zinc/48/88/06/620488806.db2.gz WEECFCXAWCKELJ-UHFFFAOYSA-N 0 0 279.771 3.182 20 10 CGCDRN CC[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000898218358 620489004 /nfs/dbraw/zinc/48/90/04/620489004.db2.gz FRCLUPJRMOKOGE-WCQYABFASA-N 0 0 283.799 3.340 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898318132 620511703 /nfs/dbraw/zinc/51/17/03/620511703.db2.gz 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/nfs/dbraw/zinc/93/88/81/623938881.db2.gz OBIPPVLVFUPBFM-CYBMUJFWSA-N 0 0 294.464 3.243 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(C)n2)cc1 ZINC000916502871 624167192 /nfs/dbraw/zinc/16/71/92/624167192.db2.gz OFXWVKARJLHZCV-UHFFFAOYSA-N 0 0 297.402 3.166 20 10 CGCDRN Cc1c[nH]cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917092196 624238678 /nfs/dbraw/zinc/23/86/78/624238678.db2.gz QFKIWAZXBGXAHG-UHFFFAOYSA-N 0 0 297.402 3.194 20 10 CGCDRN C[C@@H]1CCCCN1C(=O)NCCCSc1nccs1 ZINC000154670822 624342635 /nfs/dbraw/zinc/34/26/35/624342635.db2.gz XWQPRMOLVJGBQB-LLVKDONJSA-N 0 0 299.465 3.209 20 10 CGCDRN Cc1cc(C(=O)NCC(C)(C)C)c(C)n1-c1ccccn1 ZINC000919831886 624426310 /nfs/dbraw/zinc/42/63/10/624426310.db2.gz ANLZDKDZQBCRIS-UHFFFAOYSA-N 0 0 285.391 3.265 20 10 CGCDRN Cc1ccc(C(=O)Nc2c(C)cccc2C)c(O)c1O ZINC000179525438 624662602 /nfs/dbraw/zinc/66/26/02/624662602.db2.gz YVOMJRMKIBUNMZ-UHFFFAOYSA-N 0 0 271.316 3.275 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CCCC[C@H]1C ZINC000182309928 624978281 /nfs/dbraw/zinc/97/82/81/624978281.db2.gz UJOFXIUGJRTXFW-RISCZKNCSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1ccc(O)c(CNc2nc3cc(F)ccc3n2C)c1 ZINC000184256808 625216778 /nfs/dbraw/zinc/21/67/78/625216778.db2.gz ANJBTSWQGJBSLE-UHFFFAOYSA-N 0 0 285.322 3.339 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@H](C)O1 ZINC000184683838 625263495 /nfs/dbraw/zinc/26/34/95/625263495.db2.gz BMAVKIBXYXVWOC-GWCFXTLKSA-N 0 0 299.798 3.054 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cnn(CC3CC3)c2)c1 ZINC000186358288 625796488 /nfs/dbraw/zinc/79/64/88/625796488.db2.gz UTLMJFSIEQXECG-NSHDSACASA-N 0 0 287.363 3.180 20 10 CGCDRN CC[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000756399739 625965682 /nfs/dbraw/zinc/96/56/82/625965682.db2.gz GDVIDSGJOGELBR-YPMHNXCESA-N 0 0 298.377 3.195 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(F)c(F)c2)c1 ZINC000020089496 634482748 /nfs/dbraw/zinc/48/27/48/634482748.db2.gz PICLBAZCEYVJQB-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000838760712 626248308 /nfs/dbraw/zinc/24/83/08/626248308.db2.gz DBRDSKYXNFBRLT-LSDHHAIUSA-N 0 0 290.407 3.358 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CSCCS1)c1c([O-])cccc1F ZINC000886536856 626362040 /nfs/dbraw/zinc/36/20/40/626362040.db2.gz POPFCRXGXMUQKZ-VHSXEESVSA-N 0 0 287.425 3.031 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)=C(C)C ZINC000751193846 626379781 /nfs/dbraw/zinc/37/97/81/626379781.db2.gz SHTBWOCGUQZJSN-UHFFFAOYSA-N 0 0 274.408 3.457 20 10 CGCDRN CC1(C)C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751755733 626404015 /nfs/dbraw/zinc/40/40/15/626404015.db2.gz UJKWQEDAHLYZKD-INIZCTEOSA-N 0 0 286.419 3.339 20 10 CGCDRN CC(C)n1ccnc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000752076134 626417484 /nfs/dbraw/zinc/41/74/84/626417484.db2.gz OMKTZPLVQIGJFH-UHFFFAOYSA-N 0 0 286.423 3.162 20 10 CGCDRN Cc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000753967520 626470456 /nfs/dbraw/zinc/47/04/56/626470456.db2.gz DFCUECMHFKXFTJ-UHFFFAOYSA-N 0 0 298.386 3.047 20 10 CGCDRN CCOc1ccc(N(C)CC[C@@H]2CCCCO2)cc1 ZINC000754042128 626473104 /nfs/dbraw/zinc/47/31/04/626473104.db2.gz GROBUFWUAFKQSX-HNNXBMFYSA-N 0 0 263.381 3.481 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccccc1OC ZINC000754082523 626474956 /nfs/dbraw/zinc/47/49/56/626474956.db2.gz SHNDCWRAWVOEBL-VAWYXSNFSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc(N(C)C)cc2)cn1 ZINC000754233860 626564481 /nfs/dbraw/zinc/56/44/81/626564481.db2.gz GTLFKEKRWOWBOZ-GHXNOFRVSA-N 0 0 295.386 3.132 20 10 CGCDRN Cc1ccc(F)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000754905603 626592812 /nfs/dbraw/zinc/59/28/12/626592812.db2.gz AXSVPAKZPNGAAZ-UHFFFAOYSA-N 0 0 251.282 3.154 20 10 CGCDRN O=C([O-])[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000874053770 634510619 /nfs/dbraw/zinc/51/06/19/634510619.db2.gz NOJDYQZJGRVNGK-KOMQPUFPSA-N 0 0 297.354 3.012 20 10 CGCDRN C[C@]1(c2ccccc2)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000755868295 626655423 /nfs/dbraw/zinc/65/54/23/626655423.db2.gz WIUKKJKMRDUQML-INIZCTEOSA-N 0 0 287.384 3.258 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000756344208 626693787 /nfs/dbraw/zinc/69/37/87/626693787.db2.gz SEHNZCSTVSNIQN-ZJUUUORDSA-N 0 0 278.302 3.477 20 10 CGCDRN C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000756361106 626696187 /nfs/dbraw/zinc/69/61/87/626696187.db2.gz FSIWMMRKRATSLX-NSHDSACASA-N 0 0 285.322 3.030 20 10 CGCDRN CCC[C@@H](C)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000756387254 626699860 /nfs/dbraw/zinc/69/98/60/626699860.db2.gz KKXGUBWZTPGHSG-CJNGLKHVSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000756413083 626703283 /nfs/dbraw/zinc/70/32/83/626703283.db2.gz XLIADZQXDMGICS-RDBSUJKOSA-N 0 0 294.414 3.445 20 10 CGCDRN CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756564347 626715840 /nfs/dbraw/zinc/71/58/40/626715840.db2.gz SSXZZWJGQOWYAZ-WCQYABFASA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(F)cc1[O-] ZINC000756636381 626722922 /nfs/dbraw/zinc/72/29/22/626722922.db2.gz XDBNYXZEVPHQRN-VXGBXAGGSA-N 0 0 274.339 3.381 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCS1)c1cc(F)cc(F)c1[O-] ZINC000756651190 626724645 /nfs/dbraw/zinc/72/46/45/626724645.db2.gz VHXVOKNJCQQEGL-WPRPVWTQSA-N 0 0 273.348 3.217 20 10 CGCDRN CC[C@@H](N[C@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000756659171 626725458 /nfs/dbraw/zinc/72/54/58/626725458.db2.gz OKRACEJQWNDRAI-TZMCWYRMSA-N 0 0 293.407 3.472 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000756661118 626725533 /nfs/dbraw/zinc/72/55/33/626725533.db2.gz XWOGPTRXMAPOPW-GXTWGEPZSA-N 0 0 293.407 3.472 20 10 CGCDRN Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756735770 626728580 /nfs/dbraw/zinc/72/85/80/626728580.db2.gz HUVRGAXQRAWJNT-ZWNOBZJWSA-N 0 0 295.379 3.285 20 10 CGCDRN Cc1ncc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756761706 626730179 /nfs/dbraw/zinc/73/01/79/626730179.db2.gz RDLPBOPYGWCGJB-QMMMGPOBSA-N 0 0 298.358 3.329 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@H]1CCCO1 ZINC000756769560 626730840 /nfs/dbraw/zinc/73/08/40/626730840.db2.gz MQPJDYRLRVWMHS-BIGNPOOSSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756769811 626730923 /nfs/dbraw/zinc/73/09/23/626730923.db2.gz NXAIBOIVUJBQGB-NXEZZACHSA-N 0 0 264.325 3.140 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756790375 626732690 /nfs/dbraw/zinc/73/26/90/626732690.db2.gz NBKJVVSIUULLGM-NRYLCXMISA-N 0 0 299.361 3.381 20 10 CGCDRN C[C@H](Nc1cnn(CC2CC2)c1)c1cc(F)cc(F)c1O ZINC000756854819 626737877 /nfs/dbraw/zinc/73/78/77/626737877.db2.gz GWNKJRBLTRGYQU-VIFPVBQESA-N 0 0 293.317 3.450 20 10 CGCDRN COc1ccc(O)c(CNc2ncccc2C(F)(F)F)c1 ZINC000756949533 626742661 /nfs/dbraw/zinc/74/26/61/626742661.db2.gz JSHNNUKWCQBVEG-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)c1ccccc1 ZINC000124853392 634521419 /nfs/dbraw/zinc/52/14/19/634521419.db2.gz ZSQJYGBHJGLAKM-HNNXBMFYSA-N 0 0 296.414 3.481 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CCCCCCO)CCC2 ZINC000839656465 626770937 /nfs/dbraw/zinc/77/09/37/626770937.db2.gz MMBVIKFBSSZBJY-UHFFFAOYSA-N 0 0 293.407 3.009 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCC1(O)CCC1 ZINC000757533379 626784374 /nfs/dbraw/zinc/78/43/74/626784374.db2.gz BTQBDLCSUHRBSE-UHFFFAOYSA-N 0 0 274.389 3.094 20 10 CGCDRN O=C(NC1(Cc2ccc(F)cc2)CC1)C1=CC(=O)CS1 ZINC000839785352 626788513 /nfs/dbraw/zinc/78/85/13/626788513.db2.gz FQGQWYWXPUQXMQ-UHFFFAOYSA-N 0 0 291.347 3.098 20 10 CGCDRN COCc1nc(CN(C)c2ccc(OC)c(F)c2)cs1 ZINC000757852092 626810425 /nfs/dbraw/zinc/81/04/25/626810425.db2.gz UBWIZTQOSBDHCY-UHFFFAOYSA-N 0 0 296.367 3.074 20 10 CGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000758348348 626838195 /nfs/dbraw/zinc/83/81/95/626838195.db2.gz QOSFHDQMURFHMK-UHFFFAOYSA-N 0 0 273.357 3.392 20 10 CGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000758562224 626849481 /nfs/dbraw/zinc/84/94/81/626849481.db2.gz RQSMDKSZOCLLOH-SNVBAGLBSA-N 0 0 258.273 3.016 20 10 CGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000758574063 626849668 /nfs/dbraw/zinc/84/96/68/626849668.db2.gz ZOJDDBNDUPIPBA-SECBINFHSA-N 0 0 276.263 3.155 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCC2OCCCO2)cc1 ZINC000759916630 626930843 /nfs/dbraw/zinc/93/08/43/626930843.db2.gz XIHYNHYPTGKHFN-UHFFFAOYSA-N 0 0 279.380 3.063 20 10 CGCDRN Cc1cc(C)n(CCN(C)c2ccc(OC(C)C)cc2)n1 ZINC000759933618 626931712 /nfs/dbraw/zinc/93/17/12/626931712.db2.gz NTJQRDWJDFUPLF-UHFFFAOYSA-N 0 0 287.407 3.424 20 10 CGCDRN Cc1ccnc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000759927304 626931804 /nfs/dbraw/zinc/93/18/04/626931804.db2.gz DSJNOLSNWVWRSA-UHFFFAOYSA-N 0 0 271.364 3.209 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC12CCC2 ZINC000760125264 626940669 /nfs/dbraw/zinc/94/06/69/626940669.db2.gz NVLXUQSKXZJULH-OAHLLOKOSA-N 0 0 285.387 3.077 20 10 CGCDRN CC(C)(C)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000839792130 626971363 /nfs/dbraw/zinc/97/13/63/626971363.db2.gz KWUMYKKWSZSAIG-JTQLQIEISA-N 0 0 295.354 3.135 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2ncc(C)cn2)cc1 ZINC000760806611 626993403 /nfs/dbraw/zinc/99/34/03/626993403.db2.gz AKCXCVHIIPSHAY-UHFFFAOYSA-N 0 0 298.434 3.263 20 10 CGCDRN CC(C)(C)C1=CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000760826846 626994015 /nfs/dbraw/zinc/99/40/15/626994015.db2.gz GPINKURNHPNDTF-UHFFFAOYSA-N 0 0 265.378 3.272 20 10 CGCDRN CCOc1ccc(CNc2ccc(C3CC3)nn2)c(O)c1 ZINC000762659954 627119211 /nfs/dbraw/zinc/11/92/11/627119211.db2.gz UVOLAZYMBVNWEP-UHFFFAOYSA-N 0 0 285.347 3.070 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cccn2C)cc1 ZINC000763546624 627166489 /nfs/dbraw/zinc/16/64/89/627166489.db2.gz SLWHQHJTVNHFRK-UHFFFAOYSA-N 0 0 258.365 3.449 20 10 CGCDRN C[C@H](C(=O)NCc1ccccc1O)c1c(F)cccc1F ZINC000764067223 627192952 /nfs/dbraw/zinc/19/29/52/627192952.db2.gz GVFLWYRJBDZEQI-JTQLQIEISA-N 0 0 291.297 3.090 20 10 CGCDRN COc1ccc(O)c(CN2C[C@@H](C)Oc3ccccc32)c1 ZINC000765652197 627265138 /nfs/dbraw/zinc/26/51/38/627265138.db2.gz NZCDTBSUFQVHRH-GFCCVEGCSA-N 0 0 285.343 3.188 20 10 CGCDRN COc1ccc2c(c1)N(Cc1ccc(N(C)C)cc1)CCO2 ZINC000765650786 627265263 /nfs/dbraw/zinc/26/52/63/627265263.db2.gz FILWFSRPFWNXPC-UHFFFAOYSA-N 0 0 298.386 3.160 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000765813792 627273019 /nfs/dbraw/zinc/27/30/19/627273019.db2.gz FHUYOIDNAPFGBH-UAKXVISKSA-N 0 0 297.345 3.279 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1nccs1 ZINC000766270883 627309373 /nfs/dbraw/zinc/30/93/73/627309373.db2.gz VXHGODAZRMLYSM-UHFFFAOYSA-N 0 0 274.389 3.495 20 10 CGCDRN CCN(CC)c1ccc(/C=C/c2ccncn2)cc1 ZINC000766689033 627353082 /nfs/dbraw/zinc/35/30/82/627353082.db2.gz CLRWHPIDHYAFHJ-VMPITWQZSA-N 0 0 253.349 3.493 20 10 CGCDRN CCc1nc(CN(C)Cc2cccc(OC)c2O)cs1 ZINC000769121017 627524013 /nfs/dbraw/zinc/52/40/13/627524013.db2.gz NZIUBSLCBLSPMU-UHFFFAOYSA-N 0 0 292.404 3.052 20 10 CGCDRN C/C=C\C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000769293179 627536819 /nfs/dbraw/zinc/53/68/19/627536819.db2.gz YTPSACHNWAMATA-HYXAFXHYSA-N 0 0 298.180 3.079 20 10 CGCDRN Cc1cc(O)c(CNc2cnn(C)c2C2CC2)cc1C ZINC000769922687 627589783 /nfs/dbraw/zinc/58/97/83/627589783.db2.gz FBIZUBZDCLKZIO-UHFFFAOYSA-N 0 0 271.364 3.232 20 10 CGCDRN CCCN(Cc1ccccc1O)c1cc(CC)ncn1 ZINC000770468894 627620128 /nfs/dbraw/zinc/62/01/28/627620128.db2.gz LJVBFYXZXRHRKA-UHFFFAOYSA-N 0 0 271.364 3.161 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CCCC(F)(F)F)cc1 ZINC000770596350 627630358 /nfs/dbraw/zinc/63/03/58/627630358.db2.gz PGPVUTJYFACNBS-UHFFFAOYSA-N 0 0 288.313 3.101 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ncc(Cl)s1 ZINC000770610274 627631631 /nfs/dbraw/zinc/63/16/31/627631631.db2.gz FLCZCHCORHVOSX-UHFFFAOYSA-N 0 0 280.780 3.368 20 10 CGCDRN CC(C)Cc1nsc(NCc2ccccc2O)n1 ZINC000772022905 627756307 /nfs/dbraw/zinc/75/63/07/627756307.db2.gz XRVOLNQNVLSGHY-UHFFFAOYSA-N 0 0 263.366 3.054 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C)s2)cc1OC ZINC000772176320 627771132 /nfs/dbraw/zinc/77/11/32/627771132.db2.gz VUZGEECQICPYRH-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN CSc1cncc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772301980 627782990 /nfs/dbraw/zinc/78/29/90/627782990.db2.gz ZDGPTEMFGINBEQ-NSHDSACASA-N 0 0 288.420 3.438 20 10 CGCDRN Cc1cc(C)cc(COC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000772768326 627820501 /nfs/dbraw/zinc/82/05/01/627820501.db2.gz HSOLYWFFZIEJJO-GQCTYLIASA-N 0 0 298.338 3.471 20 10 CGCDRN Cc1cc(CN[C@H](C)c2cscn2)ccc1N(C)C ZINC000772999565 627839205 /nfs/dbraw/zinc/83/92/05/627839205.db2.gz MQCVRAMWRPRDHA-GFCCVEGCSA-N 0 0 275.421 3.368 20 10 CGCDRN CCC(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773007756 627841375 /nfs/dbraw/zinc/84/13/75/627841375.db2.gz JEWXIUMOVVQFIA-GFCCVEGCSA-N 0 0 262.397 3.366 20 10 CGCDRN CCN(C)c1ccc(CN(C)Cc2cscn2)cc1 ZINC000773751837 627910279 /nfs/dbraw/zinc/91/02/79/627910279.db2.gz PAEAEWJERISDOY-UHFFFAOYSA-N 0 0 275.421 3.231 20 10 CGCDRN C[C@H]([NH2+]CC1(CO)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774210535 627963673 /nfs/dbraw/zinc/96/36/73/627963673.db2.gz TXCLXHMTRJJXRX-QMMMGPOBSA-N 0 0 290.190 3.122 20 10 CGCDRN CCCC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000774483509 627997353 /nfs/dbraw/zinc/99/73/53/627997353.db2.gz OSQRFGLAARRZOJ-CZUORRHYSA-N 0 0 292.423 3.135 20 10 CGCDRN CC(C)CCOCCN1CCOc2cc(N(C)C)ccc21 ZINC000774752353 628023749 /nfs/dbraw/zinc/02/37/49/628023749.db2.gz PIYSTXGDRZKJEO-UHFFFAOYSA-N 0 0 292.423 3.014 20 10 CGCDRN C[C@H](NCc1coc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000775363988 628086499 /nfs/dbraw/zinc/08/64/99/628086499.db2.gz ONLKGGAKQHAXNZ-LBPRGKRZSA-N 0 0 285.391 3.469 20 10 CGCDRN C[C@@H](NC(=O)c1cc2occc2[nH]1)c1ccc(N(C)C)cc1 ZINC000775412322 628092721 /nfs/dbraw/zinc/09/27/21/628092721.db2.gz WSQKOAFLHJUVGX-LLVKDONJSA-N 0 0 297.358 3.318 20 10 CGCDRN C[N@H+](Cc1ccco1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643884 628118357 /nfs/dbraw/zinc/11/83/57/628118357.db2.gz XAIRZKICEZZKBG-UHFFFAOYSA-N 0 0 269.703 3.410 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775706794 628127704 /nfs/dbraw/zinc/12/77/04/628127704.db2.gz DMOVULRLISRBEP-DTORHVGOSA-N 0 0 257.736 3.273 20 10 CGCDRN Cc1cccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])n1 ZINC000775716192 628128614 /nfs/dbraw/zinc/12/86/14/628128614.db2.gz RHEOLGWYFBEBFU-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc(O)c2O)c1 ZINC000776664853 628224419 /nfs/dbraw/zinc/22/44/19/628224419.db2.gz QJEPLFZCTMTVEG-CYBMUJFWSA-N 0 0 299.370 3.076 20 10 CGCDRN Cc1cc(C)cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000776725804 628227565 /nfs/dbraw/zinc/22/75/65/628227565.db2.gz OWWXPAZPISUOQV-UHFFFAOYSA-N 0 0 286.331 3.207 20 10 CGCDRN CCn1nc(C)c(NCc2cccc(C)c2O)c1C ZINC000777502957 628276379 /nfs/dbraw/zinc/27/63/79/628276379.db2.gz SPUXIJMBEBJMOO-UHFFFAOYSA-N 0 0 259.353 3.146 20 10 CGCDRN CCOc1ccc(CNc2nc(C)ccc2OC)c(O)c1 ZINC000777505651 628276399 /nfs/dbraw/zinc/27/63/99/628276399.db2.gz URRULOGTYVNKBR-UHFFFAOYSA-N 0 0 288.347 3.115 20 10 CGCDRN C/C(=C\c1ccc(C)cc1)C(=O)NCc1ccccc1O ZINC000778914433 628378327 /nfs/dbraw/zinc/37/83/27/628378327.db2.gz NXHDHXQZTLJMGH-SDNWHVSQSA-N 0 0 281.355 3.420 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCO[C@H](C(C)C)C2)c1O ZINC000779151288 628390647 /nfs/dbraw/zinc/39/06/47/628390647.db2.gz XLKNHURXCQLSOE-AWEZNQCLSA-N 0 0 283.799 3.211 20 10 CGCDRN CC(C)CN(C(=O)/C=C\c1cncc(O)c1)c1ccccc1 ZINC000779661739 628419598 /nfs/dbraw/zinc/41/95/98/628419598.db2.gz ZSJPZIJHGXLGGD-HJWRWDBZSA-N 0 0 296.370 3.490 20 10 CGCDRN CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000780879463 628521786 /nfs/dbraw/zinc/52/17/86/628521786.db2.gz QDOFUCUCUHBAPG-UHFFFAOYSA-N 0 0 299.370 3.377 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780876686 628521822 /nfs/dbraw/zinc/52/18/22/628521822.db2.gz DIZVTQFCTAJUOR-GFCCVEGCSA-N 0 0 285.343 3.206 20 10 CGCDRN CN(C)c1ccc(CN2CCOc3ccccc32)cc1 ZINC000780894915 628522914 /nfs/dbraw/zinc/52/29/14/628522914.db2.gz BIWHGSZJGQKEHQ-UHFFFAOYSA-N 0 0 268.360 3.152 20 10 CGCDRN Cc1ccc(C(=O)NCC[C@H](C)c2ccccc2)c(O)c1O ZINC000780921887 628524635 /nfs/dbraw/zinc/52/46/35/628524635.db2.gz XJXPYTIENZSCPV-LBPRGKRZSA-N 0 0 299.370 3.330 20 10 CGCDRN CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000780946710 628525642 /nfs/dbraw/zinc/52/56/42/628525642.db2.gz FMPLANXWZDRJDV-SMDDNHRTSA-N 0 0 291.391 3.447 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCOC1CCC1 ZINC000805732647 628662819 /nfs/dbraw/zinc/66/28/19/628662819.db2.gz MAOCFHCGDJJYJC-UHFFFAOYSA-N 0 0 261.365 3.017 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCCS1 ZINC000783588681 628729678 /nfs/dbraw/zinc/72/96/78/628729678.db2.gz IPDKSHWHYHFXFO-HNNXBMFYSA-N 0 0 293.432 3.417 20 10 CGCDRN Oc1c(Cl)cccc1CNc1cccc2c1OCO2 ZINC000783594031 628730501 /nfs/dbraw/zinc/73/05/01/628730501.db2.gz SFEKXIILFNVJED-UHFFFAOYSA-N 0 0 277.707 3.386 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc21)c1ccccc1O ZINC000875136599 634679119 /nfs/dbraw/zinc/67/91/19/634679119.db2.gz LFQYDTAIAFGYMI-OCCSQVGLSA-N 0 0 296.370 3.092 20 10 CGCDRN O=C(c1ccoc1)N(Cc1ccco1)Cc1ccccc1O ZINC000125305200 634679324 /nfs/dbraw/zinc/67/93/24/634679324.db2.gz DYAWBMNAQSMECO-UHFFFAOYSA-N 0 0 297.310 3.421 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccccc1O ZINC000875160429 634680642 /nfs/dbraw/zinc/68/06/42/634680642.db2.gz BJNLLYGQFAHXBA-CHWSQXEVSA-N 0 0 274.364 3.109 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C12CCC(CC1)C2 ZINC000784006553 628764500 /nfs/dbraw/zinc/76/45/00/628764500.db2.gz YYQNVBLWXGVFSB-UHFFFAOYSA-N 0 0 286.419 3.258 20 10 CGCDRN COC(=O)COc1ccc(N(C)Cc2cccc(C)c2)cc1 ZINC000784562325 628821673 /nfs/dbraw/zinc/82/16/73/628821673.db2.gz WVMCFJRRKHFBDP-UHFFFAOYSA-N 0 0 299.370 3.183 20 10 CGCDRN COc1cccc(O)c1CNc1ccc2c(c1)C[C@@H](OC)C2 ZINC000784637130 628826721 /nfs/dbraw/zinc/82/67/21/628826721.db2.gz QCHFYBFKTWCBGH-HNNXBMFYSA-N 0 0 299.370 3.127 20 10 CGCDRN CC[C@H](NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000786836377 628967000 /nfs/dbraw/zinc/96/70/00/628967000.db2.gz MBEPCWWYOFYWQP-LBPRGKRZSA-N 0 0 259.271 3.052 20 10 CGCDRN CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788604582 629068630 /nfs/dbraw/zinc/06/86/30/629068630.db2.gz UNQHKIFHGCVUCH-VHSXEESVSA-N 0 0 291.313 3.223 20 10 CGCDRN CC[C@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788606313 629069159 /nfs/dbraw/zinc/06/91/59/629069159.db2.gz ZNQHUSONYDXMDO-VHSXEESVSA-N 0 0 291.313 3.487 20 10 CGCDRN CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788629375 629070355 /nfs/dbraw/zinc/07/03/55/629070355.db2.gz AVFPMXYUDVAGAG-UWVGGRQHSA-N 0 0 291.313 3.223 20 10 CGCDRN COc1cccc(O)c1CNCC(F)(F)c1ccccc1 ZINC000788970678 629092556 /nfs/dbraw/zinc/09/25/56/629092556.db2.gz UZQOSNYAYKOLPP-UHFFFAOYSA-N 0 0 293.313 3.282 20 10 CGCDRN CON(Cc1cc(C)c(C)cc1O)CC(C)(C)C ZINC000789516215 629141484 /nfs/dbraw/zinc/14/14/84/629141484.db2.gz MNBPZMMCUDSSAR-UHFFFAOYSA-N 0 0 251.370 3.419 20 10 CGCDRN O=C(CSc1nccs1)c1ccncc1Cl ZINC000789915204 629174071 /nfs/dbraw/zinc/17/40/71/629174071.db2.gz QIGXIRKSYGHVLX-UHFFFAOYSA-N 0 0 270.766 3.167 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)OCC2CC2)C2CC2)cc1 ZINC000790013472 629178528 /nfs/dbraw/zinc/17/85/28/629178528.db2.gz WAIHKGBJLLRMMU-UHFFFAOYSA-N 0 0 288.391 3.264 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NCC=C(C)C)cc1 ZINC000790227487 629195503 /nfs/dbraw/zinc/19/55/03/629195503.db2.gz JQNZRGLJSJSKFQ-UHFFFAOYSA-N 0 0 289.423 3.298 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3ccn(C)c(=O)c3c2)c1 ZINC000790637629 629221852 /nfs/dbraw/zinc/22/18/52/629221852.db2.gz KMOVQGFPPZDOOP-UHFFFAOYSA-N 0 0 294.354 3.165 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)o1 ZINC000790950124 629242648 /nfs/dbraw/zinc/24/26/48/629242648.db2.gz UIZHERYLCUMKCF-UHFFFAOYSA-N 0 0 283.730 3.418 20 10 CGCDRN CC(C)[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)O ZINC000790994744 629247814 /nfs/dbraw/zinc/24/78/14/629247814.db2.gz CRFAEAQCVCERNQ-ZDUSSCGKSA-N 0 0 289.778 3.070 20 10 CGCDRN C[C@H](NC(=O)NCC1CCC(F)CC1)c1ccccc1O ZINC000875690175 634722524 /nfs/dbraw/zinc/72/25/24/634722524.db2.gz GIEVRZMZFZBRQC-HIFPTAJRSA-N 0 0 294.370 3.281 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2[C@H](C)C[C@@H]2C)cc1 ZINC000792038666 629332069 /nfs/dbraw/zinc/33/20/69/629332069.db2.gz DLXMVGVTVBEWSH-OKILXGFUSA-N 0 0 289.423 3.225 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccn(C2CCCCC2)n1 ZINC000792240368 629351757 /nfs/dbraw/zinc/35/17/57/629351757.db2.gz PXKWTGZXEBJIAD-UHFFFAOYSA-N 0 0 299.374 3.024 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2Cc3ccc(O)cc3C2)cc1 ZINC000862451682 629380743 /nfs/dbraw/zinc/38/07/43/629380743.db2.gz PKPCVLGKUUWNLT-ONEGZZNKSA-N 0 0 294.398 3.487 20 10 CGCDRN CC(C)CC[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000862481617 629384594 /nfs/dbraw/zinc/38/45/94/629384594.db2.gz YZMGBUYRTSTOSP-LLVKDONJSA-N 0 0 289.778 3.071 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1 ZINC000792849336 629386950 /nfs/dbraw/zinc/38/69/50/629386950.db2.gz RCDIXQDBFUCMMU-UHFFFAOYSA-N 0 0 299.399 3.225 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792961407 629397114 /nfs/dbraw/zinc/39/71/14/629397114.db2.gz WRRIRRSDNMJMSZ-NEPJUHHUSA-N 0 0 294.395 3.025 20 10 CGCDRN CN(C)c1ccc(CNC(=O)NCC2=CCCCC2)cc1 ZINC000836222170 634735108 /nfs/dbraw/zinc/73/51/08/634735108.db2.gz WGOMITUNBIGSSX-UHFFFAOYSA-N 0 0 287.407 3.052 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2(C(F)F)CCCC2)c1 ZINC000862756230 629429705 /nfs/dbraw/zinc/42/97/05/629429705.db2.gz UGWDGVBBWDTAGN-UHFFFAOYSA-N 0 0 283.318 3.142 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)c1 ZINC000862755722 629429876 /nfs/dbraw/zinc/42/98/76/629429876.db2.gz WWSSPRYCDRMWMN-LSDHHAIUSA-N 0 0 273.376 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C)c1 ZINC000862755478 629429980 /nfs/dbraw/zinc/42/99/80/629429980.db2.gz TTYFXRWJJSYPSK-GXTWGEPZSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000862756969 629430212 /nfs/dbraw/zinc/43/02/12/629430212.db2.gz CCURUAHQFPIWTF-ZDUSSCGKSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C(C)C)nc2)c1 ZINC000862757894 629430865 /nfs/dbraw/zinc/43/08/65/629430865.db2.gz HWDAUSOIHGPUQJ-UHFFFAOYSA-N 0 0 284.359 3.149 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](OC)[C@H](C)CC ZINC000793654931 629493243 /nfs/dbraw/zinc/49/32/43/629493243.db2.gz GUZJJNINBSCMIG-CZUORRHYSA-N 0 0 293.407 3.192 20 10 CGCDRN COc1ccc(CNC(=O)c2csc(C)c2C)c(O)c1 ZINC000794386820 629538186 /nfs/dbraw/zinc/53/81/86/629538186.db2.gz BROUUURHDAIWLK-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN COc1ccc(CNC(=O)CC2CCCCCC2)c(O)c1 ZINC000794379109 629538301 /nfs/dbraw/zinc/53/83/01/629538301.db2.gz ZMHNFQAROSUKCY-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000794389989 629539589 /nfs/dbraw/zinc/53/95/89/629539589.db2.gz VRFZYZBNGWMXTK-SWLSCSKDSA-N 0 0 291.391 3.233 20 10 CGCDRN CN1C(=O)/C(=C/c2ccc(C(F)F)cc2)SC1=S ZINC000794858988 629590227 /nfs/dbraw/zinc/59/02/27/629590227.db2.gz DACGZVSLWYDMCH-TWGQIWQCSA-N 0 0 285.340 3.455 20 10 CGCDRN COc1ccc(N(CCC(C)C)Cc2ccnn2C)cc1 ZINC000796506298 629791990 /nfs/dbraw/zinc/79/19/90/629791990.db2.gz YQHMTNMCHBOJQT-UHFFFAOYSA-N 0 0 287.407 3.481 20 10 CGCDRN CCCCOCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796726677 629820872 /nfs/dbraw/zinc/82/08/72/629820872.db2.gz YJIPXNKZHYNGQD-CQSZACIVSA-N 0 0 269.360 3.389 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000796792616 629834972 /nfs/dbraw/zinc/83/49/72/629834972.db2.gz JYQZVKAGZNXFSS-DGCLKSJQSA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(F)cc1[O-] ZINC000796947956 629863855 /nfs/dbraw/zinc/86/38/55/629863855.db2.gz KVSFGFBBQIIDDT-TUKIKUTGSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1[O-] ZINC000797054694 629878339 /nfs/dbraw/zinc/87/83/39/629878339.db2.gz YQQBGCPMUUAUCW-OAHLLOKOSA-N 0 0 299.349 3.420 20 10 CGCDRN CCc1occc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000797494718 629952845 /nfs/dbraw/zinc/95/28/45/629952845.db2.gz CAGQFWQIEFBATK-GFCCVEGCSA-N 0 0 286.375 3.399 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797931504 630003367 /nfs/dbraw/zinc/00/33/67/630003367.db2.gz JJCIQXJUUUHJEV-NSHDSACASA-N 0 0 283.318 3.176 20 10 CGCDRN CC(C)(C)c1cnc(SCn2cccn2)s1 ZINC000798234336 630038308 /nfs/dbraw/zinc/03/83/08/630038308.db2.gz MIHBAEZGMKGIJR-UHFFFAOYSA-N 0 0 253.396 3.387 20 10 CGCDRN CN1C(=O)/C(=C/c2cncs2)c2cc(Cl)ccc21 ZINC000799501925 630193355 /nfs/dbraw/zinc/19/33/55/630193355.db2.gz SOEHJAIUCWQNQO-VZUCSPMQSA-N 0 0 276.748 3.314 20 10 CGCDRN Cc1cc(C)nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000800943248 630313220 /nfs/dbraw/zinc/31/32/20/630313220.db2.gz WLORYHMXFSOBGE-AWEZNQCLSA-N 0 0 297.402 3.255 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)cc(C)n1 ZINC000801169259 630326322 /nfs/dbraw/zinc/32/63/22/630326322.db2.gz RJNMGAVBHLEJGV-UHFFFAOYSA-N 0 0 298.386 3.456 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\SC ZINC000801548968 630343005 /nfs/dbraw/zinc/34/30/05/630343005.db2.gz YTAKCAHZPJWJJK-LUAWRHEFSA-N 0 0 279.405 3.398 20 10 CGCDRN CCCCOCC(=O)N(CCCC)Cc1ccccc1O ZINC000801548415 630343199 /nfs/dbraw/zinc/34/31/99/630343199.db2.gz FFPSMIVYAVLSBC-UHFFFAOYSA-N 0 0 293.407 3.338 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000802302875 630394789 /nfs/dbraw/zinc/39/47/89/630394789.db2.gz UBFGIMBZPWYQIT-UHFFFAOYSA-N 0 0 290.363 3.359 20 10 CGCDRN Cc1cc(C)c2c(N)c(C(=O)OCCCCF)sc2n1 ZINC000803260226 630458907 /nfs/dbraw/zinc/45/89/07/630458907.db2.gz LHLXCWGLRBSNIQ-UHFFFAOYSA-N 0 0 296.367 3.402 20 10 CGCDRN COc1cccc(CNc2ccnc(C(F)(F)F)c2)c1O ZINC000804424861 630526708 /nfs/dbraw/zinc/52/67/08/630526708.db2.gz OTJXUVRQCWJQTF-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN CC[C@@H]([NH2+]CCN(CC)CC)c1cccc(Cl)c1[O-] ZINC000806128998 630545114 /nfs/dbraw/zinc/54/51/14/630545114.db2.gz QTJIMUBWSORJPK-CQSZACIVSA-N 0 0 284.831 3.428 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000865734427 630606373 /nfs/dbraw/zinc/60/63/73/630606373.db2.gz YABGZTCIZVGYAU-ZKCHVHJHSA-N 0 0 275.776 3.168 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC1CCCC1 ZINC000808093046 630622172 /nfs/dbraw/zinc/62/21/72/630622172.db2.gz FRPTWNXAVBUAJL-UHFFFAOYSA-N 0 0 296.407 3.465 20 10 CGCDRN CCOc1cccc(CNC2(C(F)F)CCCC2)c1O ZINC000808451705 630646389 /nfs/dbraw/zinc/64/63/89/630646389.db2.gz PLGRIXPYTDJCRZ-UHFFFAOYSA-N 0 0 285.334 3.458 20 10 CGCDRN Cc1ccc(O)c(CNC2(C(F)F)CCCC2)c1 ZINC000808451727 630646464 /nfs/dbraw/zinc/64/64/64/630646464.db2.gz QEIPFTUAFBVOJG-UHFFFAOYSA-N 0 0 255.308 3.368 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC1(SC)CC1 ZINC000809635611 630768957 /nfs/dbraw/zinc/76/89/57/630768957.db2.gz JTRPBPLOHWPIGW-UHFFFAOYSA-N 0 0 263.406 3.343 20 10 CGCDRN C[N@H+](Cc1ccc(O)cc1)Cc1cccc(Cl)c1[O-] ZINC000809753634 630800198 /nfs/dbraw/zinc/80/01/98/630800198.db2.gz NTWXIXAWRWAPDP-UHFFFAOYSA-N 0 0 277.751 3.383 20 10 CGCDRN Cc1ccc(O)c(CN2CCc3cccc(F)c32)c1 ZINC000809767893 630804194 /nfs/dbraw/zinc/80/41/94/630804194.db2.gz XFPIFQUPYWAHFT-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN CCN(Cc1oc(C)nc1C)c1ccc(OC)c(OC)c1 ZINC000809957137 630820925 /nfs/dbraw/zinc/82/09/25/630820925.db2.gz TYIUQEVNFKKPDT-UHFFFAOYSA-N 0 0 290.363 3.335 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1(F)CCCCC1 ZINC000810156698 630848574 /nfs/dbraw/zinc/84/85/74/630848574.db2.gz PTGBJZKYFBFSHT-UHFFFAOYSA-N 0 0 265.328 3.023 20 10 CGCDRN COC(C)(C)c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000811633511 631094718 /nfs/dbraw/zinc/09/47/18/631094718.db2.gz PIAGOOQHLNSERV-UHFFFAOYSA-N 0 0 265.334 3.103 20 10 CGCDRN Cc1ccc2c(c1)/C(=C/c1ccc(F)nc1C)C(=O)N2C ZINC000811697414 631111642 /nfs/dbraw/zinc/11/16/42/631111642.db2.gz CUIZOCYBPCPTOL-ZROIWOOFSA-N 0 0 282.318 3.355 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCC1(F)F ZINC000811778684 631119743 /nfs/dbraw/zinc/11/97/43/631119743.db2.gz KMQKFIZKKWTIHZ-LLVKDONJSA-N 0 0 292.329 3.418 20 10 CGCDRN COc1ccc(O)c(CNc2nc(-c3ccccc3)no2)c1 ZINC000811806350 631121010 /nfs/dbraw/zinc/12/10/10/631121010.db2.gz RXJKASRPBJSTSZ-UHFFFAOYSA-N 0 0 297.314 3.063 20 10 CGCDRN COc1ccc(O)c(CNc2nnc(C(C)(C)C)s2)c1 ZINC000811806238 631121192 /nfs/dbraw/zinc/12/11/92/631121192.db2.gz NISNWUVRUPFOHE-UHFFFAOYSA-N 0 0 293.392 3.162 20 10 CGCDRN Cc1ccoc1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000813790244 631460917 /nfs/dbraw/zinc/46/09/17/631460917.db2.gz LANBNDDNWNJGSJ-UHFFFAOYSA-N 0 0 296.710 3.145 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC3CCC2CC3)cc1 ZINC000814255096 631563545 /nfs/dbraw/zinc/56/35/45/631563545.db2.gz WDRWKHZGMAJROO-PUJMQQBBSA-N 0 0 286.419 3.195 20 10 CGCDRN CCc1noc(NCc2ccc(N(CC)CC)cc2)n1 ZINC000814255453 631564646 /nfs/dbraw/zinc/56/46/46/631564646.db2.gz OOLAIEPEKOVHKQ-UHFFFAOYSA-N 0 0 274.368 3.090 20 10 CGCDRN C[C@@H](Nc1ccnc2cccnc21)c1ccc(N(C)C)cc1 ZINC000814876846 631662272 /nfs/dbraw/zinc/66/22/72/631662272.db2.gz JWWREJKRWRVVCI-CYBMUJFWSA-N 0 0 292.386 3.291 20 10 CGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@@H]21 ZINC000816515208 632000326 /nfs/dbraw/zinc/00/03/26/632000326.db2.gz SCZVARIFLOOXAB-AOOOYVTPSA-N 0 0 269.747 3.273 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccco1 ZINC000816528849 632004131 /nfs/dbraw/zinc/00/41/31/632004131.db2.gz ULRLBPADUAJAAK-UHFFFAOYSA-N 0 0 255.676 3.068 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccco1 ZINC000816529575 632004413 /nfs/dbraw/zinc/00/44/13/632004413.db2.gz YBUPNHZOBKKOIX-UHFFFAOYSA-N 0 0 269.703 3.110 20 10 CGCDRN CCc1nc(C)c(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816618372 632024219 /nfs/dbraw/zinc/02/42/19/632024219.db2.gz WCSYHUHAHGECRZ-UHFFFAOYSA-N 0 0 298.745 3.333 20 10 CGCDRN Oc1ccccc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816668251 632041553 /nfs/dbraw/zinc/04/15/53/632041553.db2.gz JRVFTBOAWQEPEQ-UHFFFAOYSA-N 0 0 291.354 3.094 20 10 CGCDRN Clc1cc(OCC2OCCO2)ccc1N1CCCCC1 ZINC000817381057 632134673 /nfs/dbraw/zinc/13/46/73/632134673.db2.gz CDRVAVGXZJZVIZ-UHFFFAOYSA-N 0 0 297.782 3.082 20 10 CGCDRN CC[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571232 632184761 /nfs/dbraw/zinc/18/47/61/632184761.db2.gz OXNKLWOSPJXOMH-LBPRGKRZSA-N 0 0 283.799 3.480 20 10 CGCDRN O[C@H](COc1ccc(N2CCCCC2)c(Cl)c1)C1CC1 ZINC000817571911 632184925 /nfs/dbraw/zinc/18/49/25/632184925.db2.gz WGQDJIQJFQQSRH-MRXNPFEDSA-N 0 0 295.810 3.480 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3C[C@]34CCOC4)cc12 ZINC000817760424 632223031 /nfs/dbraw/zinc/22/30/31/632223031.db2.gz BECOAQNTXLKUCB-QAPCUYQASA-N 0 0 299.370 3.127 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cnn(C)c3C)cc12 ZINC000817762670 632223379 /nfs/dbraw/zinc/22/33/79/632223379.db2.gz XNNPUNOBAAITEW-UHFFFAOYSA-N 0 0 297.358 3.056 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C[C@H]3CCCO3)cc12 ZINC000817760700 632223441 /nfs/dbraw/zinc/22/34/41/632223441.db2.gz FDMZYTVCASOWBP-CYBMUJFWSA-N 0 0 287.359 3.270 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942159 632240756 /nfs/dbraw/zinc/24/07/56/632240756.db2.gz XMEFISKATSTVIL-RKDXNWHRSA-N 0 0 289.206 3.102 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CC23CC3)c1 ZINC000818230608 632299999 /nfs/dbraw/zinc/29/99/99/632299999.db2.gz PWWBFSSMTDZMMB-NSHDSACASA-N 0 0 282.181 3.105 20 10 CGCDRN CCC1(C(=O)NCCc2ccc(N)cc2)CCCCC1 ZINC000818544852 632331789 /nfs/dbraw/zinc/33/17/89/632331789.db2.gz SBGREKLUHJODGY-UHFFFAOYSA-N 0 0 274.408 3.288 20 10 CGCDRN CC(C)Cc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000818546326 632331877 /nfs/dbraw/zinc/33/18/77/632331877.db2.gz NQCUZVYTWXBZBW-UHFFFAOYSA-N 0 0 296.414 3.440 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ncc(F)cn1 ZINC000840384340 632460311 /nfs/dbraw/zinc/46/03/11/632460311.db2.gz HZCAKEPTUUYELP-LBPRGKRZSA-N 0 0 288.370 3.033 20 10 CGCDRN CC(C)CC[C@H](O)CNc1ccccc1OCCF ZINC000819489951 632471793 /nfs/dbraw/zinc/47/17/93/632471793.db2.gz ZHAUXNYPSDVGCC-ZDUSSCGKSA-N 0 0 269.360 3.244 20 10 CGCDRN Cc1cc(CC(=O)NCC2CC2)c(C)n1-c1ccccc1 ZINC000820585638 632650569 /nfs/dbraw/zinc/65/05/69/632650569.db2.gz YRWTVMWIKWGXDH-UHFFFAOYSA-N 0 0 282.387 3.163 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1ccccc1C1CCC1 ZINC000822973061 633044117 /nfs/dbraw/zinc/04/41/17/633044117.db2.gz ZMCQVZJUWZWNGI-UHFFFAOYSA-N 0 0 297.354 3.295 20 10 CGCDRN C[C@H](Nc1cnn2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000866461609 633144718 /nfs/dbraw/zinc/14/47/18/633144718.db2.gz SGMQCFSEOWRMBD-ZDUSSCGKSA-N 0 0 284.407 3.459 20 10 CGCDRN CC[C@@H](NCc1cc(Cl)cc(OC)c1O)C(F)F ZINC000824509948 633251458 /nfs/dbraw/zinc/25/14/58/633251458.db2.gz QTSXNAJQEOGKGM-SECBINFHSA-N 0 0 279.714 3.188 20 10 CGCDRN 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ZINC000827952369 633539696 /nfs/dbraw/zinc/53/96/96/633539696.db2.gz PRZQYAWFWPICEV-IAQYHMDHSA-N 0 0 267.344 3.488 20 10 CGCDRN CCCc1[nH]ccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827952447 633539838 /nfs/dbraw/zinc/53/98/38/633539838.db2.gz SQDVLEGERKCHQT-LLVKDONJSA-N 0 0 272.348 3.164 20 10 CGCDRN C[C@@H](NC(=O)[C@]1(C)CCC[C@@H]1C)c1ccccc1O ZINC000827952482 633539863 /nfs/dbraw/zinc/53/98/63/633539863.db2.gz USVYQMMIIZLSLO-HWWQOWPSSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccccc1O ZINC000827957326 633540255 /nfs/dbraw/zinc/54/02/55/633540255.db2.gz TYBCYMOMIRWNQP-DDTOSNHZSA-N 0 0 287.384 3.435 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCc2ccccc2C1)c1ccccc1O ZINC000827960733 633541332 /nfs/dbraw/zinc/54/13/32/633541332.db2.gz WETMJGVQDULHAW-XJKSGUPXSA-N 0 0 295.382 3.375 20 10 CGCDRN CCc1occc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964197 633542114 /nfs/dbraw/zinc/54/21/14/633542114.db2.gz HCMMVKHHUOWOBU-JTQLQIEISA-N 0 0 259.305 3.039 20 10 CGCDRN CC[C@@H](OC1CCCC1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978337 633544227 /nfs/dbraw/zinc/54/42/27/633544227.db2.gz PYBRGIQKRSJZLT-BLLLJJGKSA-N 0 0 291.391 3.307 20 10 CGCDRN CCCCCCOCC(=O)N[C@@H](C)c1ccccc1O ZINC000827978416 633544476 /nfs/dbraw/zinc/54/44/76/633544476.db2.gz SIYIKKMIYNNDBV-ZDUSSCGKSA-N 0 0 279.380 3.166 20 10 CGCDRN Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827986728 633544826 /nfs/dbraw/zinc/54/48/26/633544826.db2.gz QEDVZNBJPFDHQT-AWEZNQCLSA-N 0 0 299.370 3.265 20 10 CGCDRN O=C(c1csc2c1CCCC2)N1Cc2cccc(O)c2C1 ZINC000871199607 633722347 /nfs/dbraw/zinc/72/23/47/633722347.db2.gz ZOJKYYBTNDDQMI-UHFFFAOYSA-N 0 0 299.395 3.489 20 10 CGCDRN CC1CCC(=CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871202460 633723516 /nfs/dbraw/zinc/72/35/16/633723516.db2.gz HXKSILMHWOJHMR-UHFFFAOYSA-N 0 0 271.360 3.371 20 10 CGCDRN CCc1oc(C(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000871203012 633723665 /nfs/dbraw/zinc/72/36/65/633723665.db2.gz JWAWVUWWDULUFS-UHFFFAOYSA-N 0 0 271.316 3.012 20 10 CGCDRN CC(C)c1ccoc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204798 633724286 /nfs/dbraw/zinc/72/42/86/633724286.db2.gz LEWWAYNWVTZXOQ-UHFFFAOYSA-N 0 0 271.316 3.265 20 10 CGCDRN CCC(CC)n1nccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203442 633724673 /nfs/dbraw/zinc/72/46/73/633724673.db2.gz LTTKNQVWWUJNDG-UHFFFAOYSA-N 0 0 299.374 3.106 20 10 CGCDRN C[C@@H]1[C@H](C(=O)N2Cc3cccc(O)c3C2)[C@H]1c1ccccc1 ZINC000871204981 633725515 /nfs/dbraw/zinc/72/55/15/633725515.db2.gz NJDVKNHRYDROMA-RZAIGCCYSA-N 0 0 293.366 3.284 20 10 CGCDRN COC(=O)c1cnc(SC2Cc3ccccc3C2)s1 ZINC000829680780 633766627 /nfs/dbraw/zinc/76/66/27/633766627.db2.gz FAYTWEJLRIXQDQ-UHFFFAOYSA-N 0 0 291.397 3.189 20 10 CGCDRN Cc1nn(C)cc1CNc1ccccc1NC(C)C ZINC000871846396 633892508 /nfs/dbraw/zinc/89/25/08/633892508.db2.gz ZNSLKUXCOKVKFB-UHFFFAOYSA-N 0 0 258.369 3.161 20 10 CGCDRN CCC[C@@H](CC(C)C)C(=O)NCc1ccc(OC)cc1O ZINC000831032936 633911878 /nfs/dbraw/zinc/91/18/78/633911878.db2.gz MQWVMDNXLXSVHP-ZDUSSCGKSA-N 0 0 293.407 3.479 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCc1ccc(OC)cc1O ZINC000831032935 633912015 /nfs/dbraw/zinc/91/20/15/633912015.db2.gz MQWVMDNXLXSVHP-CYBMUJFWSA-N 0 0 293.407 3.479 20 10 CGCDRN COc1ccc(N(Cc2nccc(C)n2)CC2CC2)cc1 ZINC000831588109 633980505 /nfs/dbraw/zinc/98/05/05/633980505.db2.gz SPYUGBPQVZEQHT-UHFFFAOYSA-N 0 0 283.375 3.210 20 10 CGCDRN COCC(C)(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000872104391 634024538 /nfs/dbraw/zinc/02/45/38/634024538.db2.gz CNUXZSNXHKOCCS-JTQLQIEISA-N 0 0 287.350 3.384 20 10 CGCDRN COCC(C)(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872104301 634024943 /nfs/dbraw/zinc/02/49/43/634024943.db2.gz AAPRNMLJWQFFGC-LLVKDONJSA-N 0 0 296.367 3.014 20 10 CGCDRN CC[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(F)cc1[O-] ZINC000846210754 636159199 /nfs/dbraw/zinc/15/91/99/636159199.db2.gz PGYCGWDDDIXERW-CQSZACIVSA-N 0 0 281.371 3.125 20 10 CGCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)c2c(O)cccc21 ZINC000832290118 634042742 /nfs/dbraw/zinc/04/27/42/634042742.db2.gz MWLKHDGUNSFMPR-SECBINFHSA-N 0 0 289.356 3.313 20 10 CGCDRN COCc1ccnc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000846211995 636159356 /nfs/dbraw/zinc/15/93/56/636159356.db2.gz IPDPYNASRZVVFC-GFCCVEGCSA-N 0 0 272.348 3.415 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000872171801 634076138 /nfs/dbraw/zinc/07/61/38/634076138.db2.gz XNDKBULJCDICNN-IGJVIKARSA-N 0 0 269.348 3.002 20 10 CGCDRN CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000834828711 634249246 /nfs/dbraw/zinc/24/92/46/634249246.db2.gz XNBNVCKRARVNKF-MFKMUULPSA-N 0 0 256.340 3.447 20 10 CGCDRN Cc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])ccn1 ZINC000834859644 634258084 /nfs/dbraw/zinc/25/80/84/634258084.db2.gz HBDXXHGBBJTSLE-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(F)cc1[O-] ZINC000834877095 634263694 /nfs/dbraw/zinc/26/36/94/634263694.db2.gz XWFQUFWTRFLKNZ-ZWNOBZJWSA-N 0 0 269.360 3.122 20 10 CGCDRN CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000834897284 634274374 /nfs/dbraw/zinc/27/43/74/634274374.db2.gz ZNRCHWZKFYQEQG-WDEREUQCSA-N 0 0 277.343 3.160 20 10 CGCDRN CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000834905164 634280980 /nfs/dbraw/zinc/28/09/80/634280980.db2.gz TZMHNBGUIKUNHK-ZDUSSCGKSA-N 0 0 283.387 3.369 20 10 CGCDRN COc1cccnc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000834905373 634281074 /nfs/dbraw/zinc/28/10/74/634281074.db2.gz GMEWVAADYKPCSB-ZDUSSCGKSA-N 0 0 285.391 3.007 20 10 CGCDRN CCn1ncc(NCc2c(O)cccc2Cl)c1C ZINC000873196300 634281487 /nfs/dbraw/zinc/28/14/87/634281487.db2.gz RRZDGQWCBVITPX-UHFFFAOYSA-N 0 0 265.744 3.183 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834911669 634285393 /nfs/dbraw/zinc/28/53/93/634285393.db2.gz JHWOCBSSTKTBPB-CUOATXAZSA-N 0 0 285.334 3.279 20 10 CGCDRN CC(C)[C@@H]1N(C(=O)c2cccc(O)c2O)CC12CCCC2 ZINC000837193033 634868834 /nfs/dbraw/zinc/86/88/34/634868834.db2.gz YLHIIXRCVPTBPQ-HNNXBMFYSA-N 0 0 289.375 3.139 20 10 CGCDRN Cc1ncsc1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876687028 634880811 /nfs/dbraw/zinc/88/08/11/634880811.db2.gz DEAQMBZNAQIMDL-UHFFFAOYSA-N 0 0 284.331 3.067 20 10 CGCDRN CC(C)c1ccsc1C(=O)NCc1ccc(N)cc1 ZINC000837302741 634881564 /nfs/dbraw/zinc/88/15/64/634881564.db2.gz DWQBNWMAZBIQOG-UHFFFAOYSA-N 0 0 274.389 3.384 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000876723953 634886703 /nfs/dbraw/zinc/88/67/03/634886703.db2.gz JLGLTYJYIYZDAS-JTQLQIEISA-N 0 0 279.286 3.253 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2c(C)cccc2O)CCS1 ZINC000876747717 634891636 /nfs/dbraw/zinc/89/16/36/634891636.db2.gz KUZMVNBNVBGNPT-LBPRGKRZSA-N 0 0 251.395 3.028 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCC1 ZINC000126157982 634895476 /nfs/dbraw/zinc/89/54/76/634895476.db2.gz YLJOTOVBMNEPFX-AWEZNQCLSA-N 0 0 299.418 3.051 20 10 CGCDRN CCOc1ccc(NCc2ccc(C)cc2O)cc1CO ZINC000876847472 634914056 /nfs/dbraw/zinc/91/40/56/634914056.db2.gz BMKKQCWGQPOLBU-UHFFFAOYSA-N 0 0 287.359 3.204 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)C2CCC2)c1 ZINC000837486291 634918874 /nfs/dbraw/zinc/91/88/74/634918874.db2.gz XAPYGVKKMSHFQC-WDEREUQCSA-N 0 0 277.364 3.014 20 10 CGCDRN COc1ccccc1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876891346 634922236 /nfs/dbraw/zinc/92/22/36/634922236.db2.gz WLIGJZWFGFFIQH-UHFFFAOYSA-N 0 0 293.313 3.011 20 10 CGCDRN Nc1ccc(CC(=O)NCC(C2CCC2)C2CCC2)cc1 ZINC000876990691 634945517 /nfs/dbraw/zinc/94/55/17/634945517.db2.gz MBIBJXPUVGBHRA-UHFFFAOYSA-N 0 0 286.419 3.144 20 10 CGCDRN Cc1cccc(O)c1C[NH2+]CCCOC1CCCC1 ZINC000876990843 634945773 /nfs/dbraw/zinc/94/57/73/634945773.db2.gz NZYXAVIGHVCCLZ-UHFFFAOYSA-N 0 0 263.381 3.140 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1Cl ZINC000126312137 634959707 /nfs/dbraw/zinc/95/97/07/634959707.db2.gz YKDVPJKQVKQOJI-SECBINFHSA-N 0 0 291.734 3.242 20 10 CGCDRN CN(C(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc(N)cc1 ZINC000877074929 634972623 /nfs/dbraw/zinc/97/26/23/634972623.db2.gz VKEHQTFTLTXHBU-GJZGRUSLSA-N 0 0 272.392 3.448 20 10 CGCDRN COc1ccc([C@H](C)CC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877077635 634975662 /nfs/dbraw/zinc/97/56/62/634975662.db2.gz POLBWORITXIVTR-CYBMUJFWSA-N 0 0 298.386 3.434 20 10 CGCDRN CN(C(=O)C[C@H]1CCc2ccccc21)c1ccc(N)cc1 ZINC000877078348 634975987 /nfs/dbraw/zinc/97/59/87/634975987.db2.gz MXJKJXVYNMMYMQ-CQSZACIVSA-N 0 0 280.371 3.352 20 10 CGCDRN CC[C@H]([NH2+]CCc1cn(C)cn1)c1cccc(Cl)c1[O-] ZINC000840763614 635048807 /nfs/dbraw/zinc/04/88/07/635048807.db2.gz KTRWZDAXOWMBQN-AWEZNQCLSA-N 0 0 293.798 3.063 20 10 CGCDRN Cc1[nH]nc2ncc(NCc3ccc(N(C)C)cc3C)cc12 ZINC000840881887 635073297 /nfs/dbraw/zinc/07/32/97/635073297.db2.gz KRFGMNIAWNZFOF-UHFFFAOYSA-N 0 0 295.390 3.253 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cncc(F)c1 ZINC000840885543 635074423 /nfs/dbraw/zinc/07/44/23/635074423.db2.gz YYDDGHPXFYMWTM-UHFFFAOYSA-N 0 0 259.328 3.207 20 10 CGCDRN COCC(C)(C)CCC[NH2+]Cc1c(C)cccc1O ZINC000877533450 635075987 /nfs/dbraw/zinc/07/59/87/635075987.db2.gz OEQCMZQKNGFIHL-UHFFFAOYSA-N 0 0 265.397 3.243 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(F)cc1[O-] ZINC000840895237 635078327 /nfs/dbraw/zinc/07/83/27/635078327.db2.gz ZGUIQMNIYBTAKB-ZLDLUXBVSA-N 0 0 281.371 3.123 20 10 CGCDRN [O-]c1c(CNc2cc3c(c[nH+]2)CCC3)ccc(F)c1F ZINC000877553756 635086697 /nfs/dbraw/zinc/08/66/97/635086697.db2.gz XOXZPOSDBCZAHD-UHFFFAOYSA-N 0 0 276.286 3.166 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)C(C)C ZINC000840968274 635096177 /nfs/dbraw/zinc/09/61/77/635096177.db2.gz PYTUAFRSHICSHB-GXTWGEPZSA-N 0 0 289.778 3.070 20 10 CGCDRN CCCNC(=O)c1ccc(NCc2c(C)cccc2O)cc1 ZINC000877607859 635109573 /nfs/dbraw/zinc/10/95/73/635109573.db2.gz ISYAHUFSARKSAA-UHFFFAOYSA-N 0 0 298.386 3.453 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000877680827 635142363 /nfs/dbraw/zinc/14/23/63/635142363.db2.gz ANSAXKYNGLVWEM-GBIKHYSHSA-N 0 0 269.772 3.010 20 10 CGCDRN Cc1ccc(C(C)(C)NC(=O)Nc2ccc(N)cc2)cn1 ZINC000841295602 635148345 /nfs/dbraw/zinc/14/83/45/635148345.db2.gz CMRGWWMYHTZMKQ-UHFFFAOYSA-N 0 0 284.363 3.029 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1 ZINC000841297861 635148893 /nfs/dbraw/zinc/14/88/93/635148893.db2.gz JDHSFHHEKHOPAJ-IXDOHACOSA-N 0 0 293.370 3.119 20 10 CGCDRN CC[C@]1(C)CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300558 635149854 /nfs/dbraw/zinc/14/98/54/635149854.db2.gz TVQFWSJKNHZAPX-OAHLLOKOSA-N 0 0 261.369 3.313 20 10 CGCDRN Nc1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000841301740 635150822 /nfs/dbraw/zinc/15/08/22/635150822.db2.gz XVHVPJDEJRAJRZ-ZAQWFSBCSA-N 0 0 285.391 3.311 20 10 CGCDRN Cc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cs1 ZINC000841494949 635186699 /nfs/dbraw/zinc/18/66/99/635186699.db2.gz GEMQCZDNIVBVQA-BJMVGYQFSA-N 0 0 281.427 3.420 20 10 CGCDRN CC(C)OC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000877807761 635210601 /nfs/dbraw/zinc/21/06/01/635210601.db2.gz TYBNFAOIRJMLBR-UHFFFAOYSA-N 0 0 283.799 3.483 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841709802 635216885 /nfs/dbraw/zinc/21/68/85/635216885.db2.gz MGDNOZDDNOCICV-GDBMZVCRSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(Cl)cc1[O-] ZINC000841753983 635227422 /nfs/dbraw/zinc/22/74/22/635227422.db2.gz GXZMQBPKEMTGEC-NSHDSACASA-N 0 0 285.815 3.495 20 10 CGCDRN CC(C)(C)CCCCNC(=O)NCCc1ccc(N)cc1 ZINC000841788660 635235880 /nfs/dbraw/zinc/23/58/80/635235880.db2.gz IEMCBRLVILGXFE-UHFFFAOYSA-N 0 0 291.439 3.327 20 10 CGCDRN CCC(CC)N(CC)C(=O)NCCc1ccc(N)cc1 ZINC000841957666 635252833 /nfs/dbraw/zinc/25/28/33/635252833.db2.gz UNHIRUWBNXKERU-UHFFFAOYSA-N 0 0 277.412 3.031 20 10 CGCDRN CC[C@@H](C)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877390 635504792 /nfs/dbraw/zinc/50/47/92/635504792.db2.gz CJLDCLDEVGALTP-KGLIPLIRSA-N 0 0 291.391 3.111 20 10 CGCDRN CCCCSCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843158474 635587763 /nfs/dbraw/zinc/58/77/63/635587763.db2.gz DHPSLHXPOFGPNP-UHFFFAOYSA-N 0 0 291.420 3.318 20 10 CGCDRN COC(=O)[C@H](CC(C)(C)C)NCc1cc(C)c(C)cc1O ZINC000843424225 635668864 /nfs/dbraw/zinc/66/88/64/635668864.db2.gz WGJACJKRDPWJEH-AWEZNQCLSA-N 0 0 293.407 3.076 20 10 CGCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843433607 635674470 /nfs/dbraw/zinc/67/44/70/635674470.db2.gz AVYXNINSEPSZHG-CPCISQLKSA-N 0 0 275.776 3.168 20 10 CGCDRN COc1cc(C)c(NC(=O)Cc2ccc(N)cc2)c(C)c1C ZINC000843489891 635680360 /nfs/dbraw/zinc/68/03/60/635680360.db2.gz MIVSZJLPIQPJBC-UHFFFAOYSA-N 0 0 298.386 3.384 20 10 CGCDRN CC(C)=CCC[C@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000843830075 635787137 /nfs/dbraw/zinc/78/71/37/635787137.db2.gz AUNJIQSNJWYVFN-ZDUSSCGKSA-N 0 0 291.391 3.487 20 10 CGCDRN C[C@H](NC(=O)c1c[nH]cc1C1CC1)c1ccc(N(C)C)cc1 ZINC000879538759 635806846 /nfs/dbraw/zinc/80/68/46/635806846.db2.gz IDPWECDVYPFGOO-LBPRGKRZSA-N 0 0 297.402 3.449 20 10 CGCDRN CC(C)c1noc([C@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879649686 635826663 /nfs/dbraw/zinc/82/66/63/635826663.db2.gz SLGBQFWZPLLJMY-MNOVXSKESA-N 0 0 275.352 3.310 20 10 CGCDRN C[C@H](NCc1nc2c(o1)CCCC2)c1ccccc1O ZINC000879649710 635826838 /nfs/dbraw/zinc/82/68/38/635826838.db2.gz CUTJEMIXAQHBBM-NSHDSACASA-N 0 0 272.348 3.110 20 10 CGCDRN CCCC(C)(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000844307166 635865252 /nfs/dbraw/zinc/86/52/52/635865252.db2.gz OZYQGHASOUODBT-UHFFFAOYSA-N 0 0 262.397 3.195 20 10 CGCDRN COc1ccc(N(C)CCCc2ccncc2)cc1 ZINC000844353157 635877739 /nfs/dbraw/zinc/87/77/39/635877739.db2.gz PLCGRZCSSZJTSF-UHFFFAOYSA-N 0 0 256.349 3.159 20 10 CGCDRN CCC[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844851735 635975271 /nfs/dbraw/zinc/97/52/71/635975271.db2.gz FJYHFJZVLBHCFK-AWEZNQCLSA-N 0 0 292.423 3.026 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000844921804 635984151 /nfs/dbraw/zinc/98/41/51/635984151.db2.gz UZIWUFORLOJYEN-BXUZGUMPSA-N 0 0 286.350 3.219 20 10 CGCDRN CC(C)C[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845068617 636004204 /nfs/dbraw/zinc/00/42/04/636004204.db2.gz QJPCVFYDIXYLDW-SNVBAGLBSA-N 0 0 284.787 3.279 20 10 CGCDRN CCC(C)(C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000845149603 636010868 /nfs/dbraw/zinc/01/08/68/636010868.db2.gz MPHIAJMWIHVZJJ-UHFFFAOYSA-N 0 0 284.787 3.281 20 10 CGCDRN COc1ccc(N(C)Cc2nn(C)c(C)c2Cl)cc1 ZINC000845998391 636127456 /nfs/dbraw/zinc/12/74/56/636127456.db2.gz MHFCSSOVQJKMFM-UHFFFAOYSA-N 0 0 279.771 3.027 20 10 CGCDRN CC(C)CCO[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472355 636187105 /nfs/dbraw/zinc/18/71/05/636187105.db2.gz IQHKCAXWDCGQTA-NSHDSACASA-N 0 0 299.798 3.113 20 10 CGCDRN O=C(CC1CCCC1)NCc1cc(Cl)ccc1O ZINC000846479706 636189768 /nfs/dbraw/zinc/18/97/68/636189768.db2.gz OBYUFVQLIOSHMN-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CCc2ccccc21 ZINC000846661398 636214200 /nfs/dbraw/zinc/21/42/00/636214200.db2.gz JSHAOMXOROXJHU-NSHDSACASA-N 0 0 287.384 3.256 20 10 CGCDRN CC(C)N(Cc1cnsn1)Cc1ccc(N(C)C)cc1 ZINC000846775859 636237102 /nfs/dbraw/zinc/23/71/02/636237102.db2.gz CUOYVYXRUGPTOE-UHFFFAOYSA-N 0 0 290.436 3.015 20 10 CGCDRN C[C@H](Nc1ccc2c(n1)C(=O)CC2)c1ccc(N(C)C)cc1 ZINC000882202345 636291055 /nfs/dbraw/zinc/29/10/55/636291055.db2.gz BRBZMZFGSQVUMH-LBPRGKRZSA-N 0 0 295.386 3.450 20 10 CGCDRN CC(C)[C@H](O)CCSc1ncc(Cl)s1 ZINC000882239134 636295754 /nfs/dbraw/zinc/29/57/54/636295754.db2.gz QYGYVWXRETXKTB-SSDOTTSWSA-N 0 0 251.804 3.296 20 10 CGCDRN Cc1cc(CN2CCC(=O)CC23CCC3)ccc1N(C)C ZINC000847003668 636306573 /nfs/dbraw/zinc/30/65/73/636306573.db2.gz UARUZASEPMVYPF-UHFFFAOYSA-N 0 0 286.419 3.149 20 10 CGCDRN CC(C)c1cc(NS(=O)(=O)CCC2CC2)ccc1O ZINC000882799167 636422792 /nfs/dbraw/zinc/42/27/92/636422792.db2.gz ROLNQLKKVGRJSB-UHFFFAOYSA-N 0 0 283.393 3.057 20 10 CGCDRN CCC[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000213398479 636450025 /nfs/dbraw/zinc/45/00/25/636450025.db2.gz VLGNRWNZEZJDQT-CQSZACIVSA-N 0 0 261.369 3.455 20 10 CGCDRN Cc1csc([C@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883088204 636537392 /nfs/dbraw/zinc/53/73/92/636537392.db2.gz WWOXDOUAXAQPTL-MRVPVSSYSA-N 0 0 298.358 3.329 20 10 CGCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000883113241 636544368 /nfs/dbraw/zinc/54/43/68/636544368.db2.gz NMMVGYGIFVFVQY-ZSBIGDGJSA-N 0 0 299.361 3.354 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)C1CCC(F)(F)CC1 ZINC000848347453 636561293 /nfs/dbraw/zinc/56/12/93/636561293.db2.gz QOIBNUCHZXVTPG-SECBINFHSA-N 0 0 299.317 3.042 20 10 CGCDRN Oc1c(F)cc(F)cc1CNc1ccc2c(c1)CCOC2 ZINC000883175449 636567066 /nfs/dbraw/zinc/56/70/66/636567066.db2.gz HMMDNGMAKPJAPP-UHFFFAOYSA-N 0 0 291.297 3.355 20 10 CGCDRN Cc1nc(COc2ccc(N3CCCC3)cc2)co1 ZINC000848510974 636583486 /nfs/dbraw/zinc/58/34/86/636583486.db2.gz ZQSOIJDHGMMUJR-UHFFFAOYSA-N 0 0 258.321 3.162 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(F)cc1[O-] ZINC000883368952 636709809 /nfs/dbraw/zinc/70/98/09/636709809.db2.gz GAQAXZSPIGKMKC-LYRGGWFBSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132468327 636809300 /nfs/dbraw/zinc/80/93/00/636809300.db2.gz WNXGJPFCBSRLKF-JTQLQIEISA-N 0 0 284.197 3.387 20 10 CGCDRN CC(C)[C@@H](Sc1ncc(Cl)s1)C(=O)N(C)C ZINC000849998627 636924091 /nfs/dbraw/zinc/92/40/91/636924091.db2.gz HCSDZTTZBURPRT-MRVPVSSYSA-N 0 0 278.830 3.001 20 10 CGCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)NC(C)(C)C ZINC000849999408 636924093 /nfs/dbraw/zinc/92/40/93/636924093.db2.gz QVDMJCHUHFYPMK-ZCFIWIBFSA-N 0 0 278.830 3.192 20 10 CGCDRN Cc1nn(C)cc1CSc1ncc(Cl)s1 ZINC000850002277 636925901 /nfs/dbraw/zinc/92/59/01/636925901.db2.gz ZCSLJCSWISQUNG-UHFFFAOYSA-N 0 0 259.787 3.131 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)cc1 ZINC000133791452 636975716 /nfs/dbraw/zinc/97/57/16/636975716.db2.gz FRAUDJGNSJIHGL-UHFFFAOYSA-N 0 0 295.260 3.341 20 10 CGCDRN CCOc1ccc(NCc2cc(C)ccc2O)nc1C ZINC000850410775 637052445 /nfs/dbraw/zinc/05/24/45/637052445.db2.gz CDFUNOPJSGSJFO-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN CC1(C)CC([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000850415265 637053770 /nfs/dbraw/zinc/05/37/70/637053770.db2.gz DDUSPVOKMBPHJN-UHFFFAOYSA-N 0 0 284.743 3.232 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(F)cc1[O-] ZINC000850526061 637105519 /nfs/dbraw/zinc/10/55/19/637105519.db2.gz AAAOBMUNSCPRGZ-QXKQMHMISA-N 0 0 287.334 3.360 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(F)cc(F)c1[O-] ZINC000850534265 637110575 /nfs/dbraw/zinc/11/05/75/637110575.db2.gz IFFVZTUNLLGXNS-FOGDFJRCSA-N 0 0 285.334 3.279 20 10 CGCDRN CC[C@H]([NH2+]CC1SCCS1)c1ccc(F)cc1[O-] ZINC000850559583 637123139 /nfs/dbraw/zinc/12/31/39/637123139.db2.gz DZUIAQCFYBALDQ-NSHDSACASA-N 0 0 287.425 3.378 20 10 CGCDRN C[C@H]([NH2+][C@]1(C)CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850558076 637123275 /nfs/dbraw/zinc/12/32/75/637123275.db2.gz ZFZSLAXXZYABKO-LKFCYVNXSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850558081 637123293 /nfs/dbraw/zinc/12/32/93/637123293.db2.gz ZFZSLAXXZYABKO-XPTSAGLGSA-N 0 0 264.325 3.140 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000850570128 637127759 /nfs/dbraw/zinc/12/77/59/637127759.db2.gz DSTMJJWBMOMGLK-BXUZGUMPSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cccc(Cl)c1[O-] ZINC000850571166 637128977 /nfs/dbraw/zinc/12/89/77/637128977.db2.gz OAUGQYIOYILFDU-BZPMIXESSA-N 0 0 269.772 3.264 20 10 CGCDRN CC(C)=CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000136906927 637410573 /nfs/dbraw/zinc/41/05/73/637410573.db2.gz XUZRIWBMOYNFCH-UHFFFAOYSA-N 0 0 285.343 3.480 20 10 CGCDRN COc1cc(N(C)CC2CC=CC2)cc(OC)c1OC ZINC000851784922 637501809 /nfs/dbraw/zinc/50/18/09/637501809.db2.gz XGXRTUQKEWTIRU-UHFFFAOYSA-N 0 0 277.364 3.115 20 10 CGCDRN COc1ccc(N(C)C[C@@H](OC)C2CCC2)cc1F ZINC000851807844 637511171 /nfs/dbraw/zinc/51/11/71/637511171.db2.gz HZZQIUBHGNBXLR-OAHLLOKOSA-N 0 0 267.344 3.086 20 10 CGCDRN CCN(C[C@H](OC)C1CCC1)c1ccc(OC)c(OC)c1 ZINC000851829227 637516122 /nfs/dbraw/zinc/51/61/22/637516122.db2.gz XCVXIOPNOACFIN-KRWDZBQOSA-N 0 0 293.407 3.345 20 10 CGCDRN CCN(Cc1cncs1)c1ccc(OC)c(OC)c1 ZINC000851828235 637516831 /nfs/dbraw/zinc/51/68/31/637516831.db2.gz OQUYCJZRGGCYNU-UHFFFAOYSA-N 0 0 278.377 3.187 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1c([O-])cccc1F ZINC000886501757 637543108 /nfs/dbraw/zinc/54/31/08/637543108.db2.gz XKOAZJGFFAHHKI-QWHCGFSZSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)N1CCCC1 ZINC000886501552 637543574 /nfs/dbraw/zinc/54/35/74/637543574.db2.gz OCXRNTSDOKXMCS-CHWSQXEVSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886512642 637547898 /nfs/dbraw/zinc/54/78/98/637547898.db2.gz JYDCSFKGNGSZMX-BONVTDFDSA-N 0 0 293.313 3.055 20 10 CGCDRN Cc1nc(C)c(C[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886532232 637556266 /nfs/dbraw/zinc/55/62/66/637556266.db2.gz GHGWESNBOBQEMF-SECBINFHSA-N 0 0 280.368 3.455 20 10 CGCDRN COC[C@@H](N[C@H](C)c1c(O)cccc1F)c1ccc(C)o1 ZINC000886534824 637560644 /nfs/dbraw/zinc/56/06/44/637560644.db2.gz PEDDAPTUOJLQKG-DGCLKSJQSA-N 0 0 293.338 3.471 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1c([O-])cccc1F ZINC000886536649 637561506 /nfs/dbraw/zinc/56/15/06/637561506.db2.gz MKXVZVBIIOWVLH-HZUKXOBISA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]CC1(CO)CCCCC1)c1c([O-])cccc1F ZINC000886550122 637576574 /nfs/dbraw/zinc/57/65/74/637576574.db2.gz SMHQWHZIRYHQMK-GFCCVEGCSA-N 0 0 281.371 3.125 20 10 CGCDRN CCCn1cc(N[C@@H](C)c2c(O)cccc2F)cn1 ZINC000886576437 637586148 /nfs/dbraw/zinc/58/61/48/637586148.db2.gz GJEOODAXAACLEL-JTQLQIEISA-N 0 0 263.316 3.311 20 10 CGCDRN C[C@@H](Nc1ccc(CCO)cc1)c1c(O)cccc1F ZINC000886576533 637586586 /nfs/dbraw/zinc/58/65/86/637586586.db2.gz IPXVHCUZXQGOJD-LLVKDONJSA-N 0 0 275.323 3.239 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886607414 637601876 /nfs/dbraw/zinc/60/18/76/637601876.db2.gz RBLQNKYBUAZDOJ-OSMZGAPFSA-N 0 0 267.344 3.140 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886611062 637604277 /nfs/dbraw/zinc/60/42/77/637604277.db2.gz RNAMKPCALJMXCW-NSHDSACASA-N 0 0 269.360 3.245 20 10 CGCDRN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1c(O)cccc1F ZINC000886620090 637613459 /nfs/dbraw/zinc/61/34/59/637613459.db2.gz BPKPMEHZIGBKQT-JBLDHEPKSA-N 0 0 275.327 3.084 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1c([O-])cccc1F ZINC000886626707 637615756 /nfs/dbraw/zinc/61/57/56/637615756.db2.gz JCTRYJMQKYYCEG-IAQYHMDHSA-N 0 0 287.334 3.453 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1c([O-])cccc1F ZINC000886631664 637619940 /nfs/dbraw/zinc/61/99/40/637619940.db2.gz SYYZLXRFJKWKMC-APPDUMDISA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1c([O-])cccc1F ZINC000886638561 637622594 /nfs/dbraw/zinc/62/25/94/637622594.db2.gz WZXSCVSAYKSIMB-IJLUTSLNSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H](NC(=O)NCC1=CCCC1)c1ccc(N(C)C)cc1 ZINC000852261375 637623740 /nfs/dbraw/zinc/62/37/40/637623740.db2.gz QWILHADKGOWJDC-ZDUSSCGKSA-N 0 0 287.407 3.223 20 10 CGCDRN C[C@@H](Nc1cnn2c1CCCC2)c1c(O)cccc1F ZINC000886645132 637626808 /nfs/dbraw/zinc/62/68/08/637626808.db2.gz RTPWBGDRHUGFHA-SNVBAGLBSA-N 0 0 275.327 3.237 20 10 CGCDRN Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886650637 637629923 /nfs/dbraw/zinc/62/99/23/637629923.db2.gz ZZFUVRDFGABYLE-KOLCDFICSA-N 0 0 275.327 3.042 20 10 CGCDRN CC[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000852597373 637685302 /nfs/dbraw/zinc/68/53/02/637685302.db2.gz QVWMTKLPXYYFMQ-INIZCTEOSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(C)(C)c1nc(-c2cn(-c3ccc(N)cc3)nn2)cs1 ZINC000887391852 637816126 /nfs/dbraw/zinc/81/61/26/637816126.db2.gz QPDWCVUFQIVAQR-UHFFFAOYSA-N 0 0 299.403 3.271 20 10 CGCDRN Cc1cc(O)c(CN2CCc3nccnc3C2)cc1C(C)C ZINC000853603316 637873334 /nfs/dbraw/zinc/87/33/34/637873334.db2.gz OUXXLJUMHCMFHX-UHFFFAOYSA-N 0 0 297.402 3.172 20 10 CGCDRN Cc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)c(O)c1O ZINC000854322272 638043390 /nfs/dbraw/zinc/04/33/90/638043390.db2.gz CKZBTZNETAZSHL-LBPRGKRZSA-N 0 0 297.354 3.388 20 10 CGCDRN Cc1ccc(C(=O)N2CCC(C3CCC3)CC2)c(O)c1O ZINC000855437978 638199040 /nfs/dbraw/zinc/19/90/40/638199040.db2.gz VBNLCLZHNUVQEW-UHFFFAOYSA-N 0 0 289.375 3.059 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccccc1F ZINC000857546709 638516961 /nfs/dbraw/zinc/51/69/61/638516961.db2.gz FWBNOTZTSJBFFW-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN CC[C@@H](NCc1c(O)cccc1Br)C(F)F ZINC000858171331 638649726 /nfs/dbraw/zinc/64/97/26/638649726.db2.gz VEOWRIOFJKWUIG-SECBINFHSA-N 0 0 294.139 3.288 20 10 CGCDRN CCN(CC)c1ccc(CNc2cc(OC)n[nH]2)cc1F ZINC000858230980 638660793 /nfs/dbraw/zinc/66/07/93/638660793.db2.gz LBSZHZLSZVBSDY-UHFFFAOYSA-N 0 0 292.358 3.016 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858254303 638664944 /nfs/dbraw/zinc/66/49/44/638664944.db2.gz YGPPRINSBFJQSU-AAEUAGOBSA-N 0 0 278.396 3.325 20 10 CGCDRN COCCOCc1ccc(NCc2ccccc2O)cc1 ZINC000858297905 638674392 /nfs/dbraw/zinc/67/43/92/638674392.db2.gz LBTHCSPRLMMWSR-UHFFFAOYSA-N 0 0 287.359 3.167 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCc2c(C)cccc2C)c1 ZINC000858302480 638675030 /nfs/dbraw/zinc/67/50/30/638675030.db2.gz HSLIPVULJPQPIL-UHFFFAOYSA-N 0 0 298.386 3.317 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(Cl)cs1 ZINC000858478227 638733550 /nfs/dbraw/zinc/73/35/50/638733550.db2.gz XDCVRCAFIYCDJH-SSDOTTSWSA-N 0 0 284.768 3.251 20 10 CGCDRN COc1cc(N[C@H](C)c2ccc(F)cc2O)cnc1OC ZINC000858481276 638734740 /nfs/dbraw/zinc/73/47/40/638734740.db2.gz GOBPJRQMLGCOAX-SECBINFHSA-N 0 0 292.310 3.117 20 10 CGCDRN CC[C@H](Nc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000858491252 638741094 /nfs/dbraw/zinc/74/10/94/638741094.db2.gz BMLACLWCFVIGGP-INIZCTEOSA-N 0 0 290.386 3.482 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(F)cc1[O-] ZINC000926937743 638827253 /nfs/dbraw/zinc/82/72/53/638827253.db2.gz YFBJOPKZAZYAKY-CQJJVWNLSA-N 0 0 291.366 3.163 20 10 CGCDRN C[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccc(N(C)C)cc1 ZINC000927113938 638843700 /nfs/dbraw/zinc/84/37/00/638843700.db2.gz PVIWRPBNSZAQPH-CYBMUJFWSA-N 0 0 298.434 3.214 20 10 CGCDRN CC(C)(CC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000928707157 638889488 /nfs/dbraw/zinc/88/94/88/638889488.db2.gz BIFLTHPHFZKQMH-UHFFFAOYSA-N 0 0 293.260 3.126 20 10 CGCDRN CCCCCCC(=O)NCc1c(O)cccc1F ZINC000928711198 638889645 /nfs/dbraw/zinc/88/96/45/638889645.db2.gz HESPNZWDPDFXPM-UHFFFAOYSA-N 0 0 253.317 3.118 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C(C)C)ns2)cc1F ZINC000929826513 638954713 /nfs/dbraw/zinc/95/47/13/638954713.db2.gz NLDPQEZOYJOTNE-UHFFFAOYSA-N 0 0 295.383 3.446 20 10 CGCDRN COc1ccc(N(Cc2nncs2)CC(C)C)cc1 ZINC000929921531 638961839 /nfs/dbraw/zinc/96/18/39/638961839.db2.gz UCCPDUFGRYUFAX-UHFFFAOYSA-N 0 0 277.393 3.209 20 10 CGCDRN C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)C=CCC1 ZINC000930205997 638982972 /nfs/dbraw/zinc/98/29/72/638982972.db2.gz RISYZXDABNDMRC-GOSISDBHSA-N 0 0 284.403 3.259 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C12CC(C1)C2 ZINC000858835836 639026852 /nfs/dbraw/zinc/02/68/52/639026852.db2.gz LSIBTWZIGOKFQG-UHFFFAOYSA-N 0 0 284.403 3.093 20 10 CGCDRN CN(C)c1ccc(CNC(=O)OCCc2ccccc2)cc1 ZINC000858882958 639036041 /nfs/dbraw/zinc/03/60/41/639036041.db2.gz KKUKEYDKDVNOSX-UHFFFAOYSA-N 0 0 298.386 3.222 20 10 CGCDRN CCCN(C)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000858905003 639041821 /nfs/dbraw/zinc/04/18/21/639041821.db2.gz GRHLVGUIOLJSQL-UHFFFAOYSA-N 0 0 298.386 3.389 20 10 CGCDRN CCN(Cc1ccncc1C)c1ccc(OC)c(OC)c1 ZINC000859174819 639099179 /nfs/dbraw/zinc/09/91/79/639099179.db2.gz IHYOEOJVBOAOFK-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN CCO[C@H](CN(CC)c1ccc(OC)c(OC)c1)C1CC1 ZINC000859176528 639099760 /nfs/dbraw/zinc/09/97/60/639099760.db2.gz WUASNYCHZZPCFK-QGZVFWFLSA-N 0 0 293.407 3.345 20 10 CGCDRN CC(C)(C)CC(C)(C)C(=O)NCc1ccccc1O ZINC000934936304 639719466 /nfs/dbraw/zinc/71/94/66/639719466.db2.gz RPXKJIJKBJINMG-UHFFFAOYSA-N 0 0 263.381 3.471 20 10 CGCDRN O=C(NCc1ccccc1O)C1(CCc2ccccc2)CC1 ZINC000934935950 639719777 /nfs/dbraw/zinc/71/97/77/639719777.db2.gz QDDJJQDBNPRISS-UHFFFAOYSA-N 0 0 295.382 3.421 20 10 CGCDRN C[C@H](NC(=O)[C@]12C[C@H]1CCC2)c1ccc(N(C)C)cc1 ZINC000935463629 639820826 /nfs/dbraw/zinc/82/08/26/639820826.db2.gz KLUQMSPLKOVFSC-DXCKQFNASA-N 0 0 272.392 3.120 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1 ZINC000156974370 639985926 /nfs/dbraw/zinc/98/59/26/639985926.db2.gz MKNQHUVPVRBLLH-JXMROGBWSA-N 0 0 252.317 3.066 20 10 CGCDRN C[C@H](C1CC1)n1cc(NCc2ccccc2O)cn1 ZINC000189240660 640177930 /nfs/dbraw/zinc/17/79/30/640177930.db2.gz SFGYOTYWKGMHMR-LLVKDONJSA-N 0 0 257.337 3.172 20 10 CGCDRN CCC(C)(C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000190679449 640260505 /nfs/dbraw/zinc/26/05/05/640260505.db2.gz AJIZWVOIAXFICC-NSHDSACASA-N 0 0 294.395 3.197 20 10 CGCDRN CCCCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000079027601 640366122 /nfs/dbraw/zinc/36/61/22/640366122.db2.gz VUYTXWQECUOFCN-UHFFFAOYSA-N 0 0 291.439 3.474 20 10 CGCDRN CSCc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000193012802 640426115 /nfs/dbraw/zinc/42/61/15/640426115.db2.gz PHKSMBRHWRJTCH-UHFFFAOYSA-N 0 0 289.356 3.213 20 10 CGCDRN C/C=C(\C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000080481072 640484761 /nfs/dbraw/zinc/48/47/61/640484761.db2.gz MKRPEHQKXMJWIW-LFYBBSHMSA-N 0 0 278.371 3.254 20 10 CGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C2CC2)cc1 ZINC000193988874 640506549 /nfs/dbraw/zinc/50/65/49/640506549.db2.gz UMMCCPCICLOIBK-UHFFFAOYSA-N 0 0 272.314 3.279 20 10 CGCDRN Cc1nnc(COc2ccc(N3CCCC3)cc2)n1C1CC1 ZINC000091598473 640716872 /nfs/dbraw/zinc/71/68/72/640716872.db2.gz JGLIZFXIOUNMJZ-UHFFFAOYSA-N 0 0 298.390 3.101 20 10 CGCDRN Cc1cccc2oc(C(=O)NCc3c(O)cccc3O)cc21 ZINC001156886091 805745840 /nfs/dbraw/zinc/74/58/40/805745840.db2.gz SWIHHQMGBOWHND-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN CCn1c2cc(C)ccc2nc1-c1cc(O)c(O)cc1O ZINC001251358591 805886359 /nfs/dbraw/zinc/88/63/59/805886359.db2.gz MIGJDXUPKQFPIM-UHFFFAOYSA-N 0 0 284.315 3.148 20 10 CGCDRN CN1CCCc2ccc(Nc3ccc(N)cc3)cc21 ZINC001159564205 806122092 /nfs/dbraw/zinc/12/20/92/806122092.db2.gz ZLSHUWSLTWXGQU-UHFFFAOYSA-N 0 0 253.349 3.395 20 10 CGCDRN COC(=O)c1cc(Nc2ccc(N)cc2)ccc1Cl ZINC001159712178 806158334 /nfs/dbraw/zinc/15/83/34/806158334.db2.gz HAXQAEDCFGLJBJ-UHFFFAOYSA-N 0 0 276.723 3.452 20 10 CGCDRN COC(=O)c1cc(C)c(F)cc1Nc1ccc(N)cc1 ZINC001160243418 806240696 /nfs/dbraw/zinc/24/06/96/806240696.db2.gz MVVZRSDGROGKML-UHFFFAOYSA-N 0 0 274.295 3.247 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1cccc2ccccc21 ZINC001162271478 806545792 /nfs/dbraw/zinc/54/57/92/806545792.db2.gz GYLMBJUCTKNQDC-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN CNc1ccccc1NCc1c(C)cc(C)[nH]c1=O ZINC001162610459 806629566 /nfs/dbraw/zinc/62/95/66/806629566.db2.gz IHVSBNSMFNFESC-UHFFFAOYSA-N 0 0 257.337 3.058 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc([C@@H]4CCOC4)o3)cc2)c1 ZINC001255517703 806659785 /nfs/dbraw/zinc/65/97/85/806659785.db2.gz OHADLKNTBXCQOM-CYBMUJFWSA-N 0 0 281.315 3.031 20 10 CGCDRN CC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000037323212 798866611 /nfs/dbraw/zinc/86/66/11/798866611.db2.gz ZNKZUOQSLRHQJL-SECBINFHSA-N 0 0 269.772 3.479 20 10 CGCDRN CC[C@@H](C)NC(=O)[C@@H](Sc1nccs1)C(C)C ZINC000133247929 799033639 /nfs/dbraw/zinc/03/36/39/799033639.db2.gz WDWVAHRFVRFVKC-ZJUUUORDSA-N 0 0 272.439 3.175 20 10 CGCDRN C[C@@H](NCC(C)(F)F)c1ccc(Br)cc1O ZINC000378793903 799344201 /nfs/dbraw/zinc/34/42/01/799344201.db2.gz OTJYCBRJXBLXFU-SSDOTTSWSA-N 0 0 294.139 3.461 20 10 CGCDRN CCn1cc(Cl)cc1C(=O)N(C)Cc1ccccc1O ZINC000383641471 799405418 /nfs/dbraw/zinc/40/54/18/799405418.db2.gz NJGHMRLFBZECFM-UHFFFAOYSA-N 0 0 292.766 3.139 20 10 CGCDRN Nc1ccc(NC(=O)NCC2CCCCCC2)cc1 ZINC000389771354 799465613 /nfs/dbraw/zinc/46/56/13/799465613.db2.gz SZOGGXDVQCKLID-UHFFFAOYSA-N 0 0 261.369 3.361 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1O ZINC000397911958 799522971 /nfs/dbraw/zinc/52/29/71/799522971.db2.gz BIXCFQPBQPSBDI-GVXVVHGQSA-N 0 0 251.395 3.327 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])nc1 ZINC000400909637 799551343 /nfs/dbraw/zinc/55/13/43/799551343.db2.gz ZHYDKEHSSAEIRX-UHFFFAOYSA-N 0 0 262.740 3.039 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000401575532 799555713 /nfs/dbraw/zinc/55/57/13/799555713.db2.gz NSICBFGQCMJPPF-NSHDSACASA-N 0 0 290.190 3.310 20 10 CGCDRN C/C(=C/c1ccc(C)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000588401178 799688270 /nfs/dbraw/zinc/68/82/70/799688270.db2.gz UYGCNYGJOJBKHH-LCYFTJDESA-N 0 0 297.354 3.126 20 10 CGCDRN CC(C)CCC[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403605 799689454 /nfs/dbraw/zinc/68/94/54/799689454.db2.gz PURIOZFTCJGQCE-KJJQSCHISA-N 0 0 291.391 3.442 20 10 CGCDRN C[C@@H](CCC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407314 799690318 /nfs/dbraw/zinc/69/03/18/799690318.db2.gz VVHJKHZDRSSPHU-VFFGBVLKSA-N 0 0 291.391 3.442 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(F)CC1 ZINC000689909666 799770516 /nfs/dbraw/zinc/77/05/16/799770516.db2.gz RFUOROYARQYLKR-UHFFFAOYSA-N 0 0 288.160 3.089 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000694009349 799819681 /nfs/dbraw/zinc/81/96/81/799819681.db2.gz ZHUHAIGKOSOHEY-VXGBXAGGSA-N 0 0 274.339 3.208 20 10 CGCDRN COC1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000703823518 799929959 /nfs/dbraw/zinc/92/99/59/799929959.db2.gz VCEGTJQEMWUPGI-UHFFFAOYSA-N 0 0 269.772 3.093 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000710523098 800036379 /nfs/dbraw/zinc/03/63/79/800036379.db2.gz QTTYGYBKFVOVPA-RISCZKNCSA-N 0 0 251.757 3.325 20 10 CGCDRN O=C(NCc1ccccc1O)[C@@H]1CCC=CCCC1 ZINC000719075781 800231816 /nfs/dbraw/zinc/23/18/16/800231816.db2.gz ZCBNJWBJGVYRGD-CYBMUJFWSA-N 0 0 259.349 3.145 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@H]1CCCOC1 ZINC000724013657 800353762 /nfs/dbraw/zinc/35/37/62/800353762.db2.gz QZMONXRAJRZAQX-XUJVJEKNSA-N 0 0 281.371 3.387 20 10 CGCDRN COc1cc(C)cc(CNc2ccc(F)cc2OC)c1O ZINC000894097553 800576237 /nfs/dbraw/zinc/57/62/37/800576237.db2.gz NNMRLAXCOHYELM-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN CCc1nsc(NCc2cccc(Cl)c2O)n1 ZINC000897392319 800588992 /nfs/dbraw/zinc/58/89/92/800588992.db2.gz WWFYMJAOQGGBQT-UHFFFAOYSA-N 0 0 269.757 3.072 20 10 CGCDRN Cc1cnc(N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC001119403779 802660537 /nfs/dbraw/zinc/66/05/37/802660537.db2.gz VVUUMZZVRVRJJT-UHFFFAOYSA-N 0 0 271.364 3.218 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2ccc(F)c(C)c2)nc1 ZINC001201040137 811781733 /nfs/dbraw/zinc/78/17/33/811781733.db2.gz KITXOERCRBIQLI-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN Cn1c(=O)cc(-c2cccc3[nH]cnc32)c2ccccc21 ZINC001243933632 803083324 /nfs/dbraw/zinc/08/33/24/803083324.db2.gz DVVJSIODTNARGD-UHFFFAOYSA-N 0 0 275.311 3.082 20 10 CGCDRN Cc1cc(CNC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001132268133 803388621 /nfs/dbraw/zinc/38/86/21/803388621.db2.gz USVZTXXVLPBUEB-SJCJKPOMSA-N 0 0 282.387 3.366 20 10 CGCDRN Cc1cc(Cl)c(N)c(-c2ncnc3c2ccn3C)c1 ZINC001244556709 803437328 /nfs/dbraw/zinc/43/73/28/803437328.db2.gz VZIHYVYLVFUOFG-UHFFFAOYSA-N 0 0 272.739 3.179 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2cncc(OCC3CC3)c2)n1 ZINC001245242084 803676802 /nfs/dbraw/zinc/67/68/02/803676802.db2.gz LSVMNXXVOPFENW-UHFFFAOYSA-N 0 0 294.358 3.128 20 10 CGCDRN CC(C)Cn1ccc(-c2c[nH]c3cnccc23)cc1=O ZINC001245398259 803726933 /nfs/dbraw/zinc/72/69/33/803726933.db2.gz SQMFVWVMHMBUEZ-UHFFFAOYSA-N 0 0 267.332 3.048 20 10 CGCDRN Oc1cccc(F)c1CN1CCc2cc(F)ccc2C1 ZINC001137839733 803780722 /nfs/dbraw/zinc/78/07/22/803780722.db2.gz HWSFDMITLRXBSB-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN Oc1c(F)cccc1CN1CCc2cc(F)c(F)cc2C1 ZINC001138130952 803865483 /nfs/dbraw/zinc/86/54/83/803865483.db2.gz MCUOGWPKUYUKRS-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN c1cc(N2CCCCC2)ccc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001138222325 803873787 /nfs/dbraw/zinc/87/37/87/803873787.db2.gz RVGUTVQQYKTNDU-QZTJIDSGSA-N 0 0 286.419 3.040 20 10 CGCDRN COc1ccc(-c2ccnc3c2ccn3C)c(Cl)n1 ZINC001245877146 804007737 /nfs/dbraw/zinc/00/77/37/804007737.db2.gz BFLLCKYQBKFPDY-UHFFFAOYSA-N 0 0 273.723 3.297 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CC2CCC(CC2)C1 ZINC001139685266 804253218 /nfs/dbraw/zinc/25/32/18/804253218.db2.gz CUULSGZMFYUQHH-UHFFFAOYSA-N 0 0 267.319 3.292 20 10 CGCDRN Cc1cc2c(cn1)CN(Cc1c(C)ccc(C)c1O)C2 ZINC001140184287 804397791 /nfs/dbraw/zinc/39/77/91/804397791.db2.gz QLQSRICWWNGROP-UHFFFAOYSA-N 0 0 268.360 3.228 20 10 CGCDRN Cc1ncccc1CN(C)Cc1c(O)cccc1Cl ZINC001140341945 804420785 /nfs/dbraw/zinc/42/07/85/804420785.db2.gz LVQNMRJVHHFIAN-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN C[C@]1(F)CCCN(Cc2ccc(Cl)cc2O)C1 ZINC001140462891 804441269 /nfs/dbraw/zinc/44/12/69/804441269.db2.gz NKIGFRTUIPKLGT-ZDUSSCGKSA-N 0 0 257.736 3.370 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001140585730 804467858 /nfs/dbraw/zinc/46/78/58/804467858.db2.gz SHEILNCOXPRNNN-UHFFFAOYSA-N 0 0 297.345 3.204 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CC(c2ccccc2)C1 ZINC001140583678 804468629 /nfs/dbraw/zinc/46/86/29/804468629.db2.gz QPVGNXYROBEOHS-UHFFFAOYSA-N 0 0 275.298 3.270 20 10 CGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1Cl)C1CC1 ZINC001140921840 804548962 /nfs/dbraw/zinc/54/89/62/804548962.db2.gz RYYIGPVCMHVAHY-UHFFFAOYSA-N 0 0 252.789 3.390 20 10 CGCDRN CN(C)c1ccc(CN(C)CC(F)F)c(Cl)c1 ZINC001140927015 804550881 /nfs/dbraw/zinc/55/08/81/804550881.db2.gz CJUMFUSIVAZIGW-UHFFFAOYSA-N 0 0 262.731 3.103 20 10 CGCDRN Cc1ccc(CN2CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001140947914 804556740 /nfs/dbraw/zinc/55/67/40/804556740.db2.gz LJBQVVQNVQLWES-LBPRGKRZSA-N 0 0 259.271 3.227 20 10 CGCDRN Cc1nc2c(s1)C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC001140950727 804557455 /nfs/dbraw/zinc/55/74/55/804557455.db2.gz FTYODRRQYMBQMI-UHFFFAOYSA-N 0 0 274.389 3.024 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CCCC[C@](C)(F)C2)c(OC)c1 ZINC001141032004 804574968 /nfs/dbraw/zinc/57/49/68/804574968.db2.gz PUOSFAAFYFEXKI-INIZCTEOSA-N 0 0 297.370 3.124 20 10 CGCDRN CN(Cc1cc2c3c(c1)CCCN3CCC2)CC(F)(F)F ZINC001141074367 804585365 /nfs/dbraw/zinc/58/53/65/804585365.db2.gz GLCURJBLNUJSTA-UHFFFAOYSA-N 0 0 298.352 3.380 20 10 CGCDRN Oc1ccc(O)c(CN2Cc3cccc(Cl)c3C2)c1 ZINC001141159196 804599815 /nfs/dbraw/zinc/59/98/15/804599815.db2.gz ASWRTXSDSYKSIE-UHFFFAOYSA-N 0 0 275.735 3.267 20 10 CGCDRN CC/C=C(\F)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001141869074 804675539 /nfs/dbraw/zinc/67/55/39/804675539.db2.gz SWXPCXBIUSXUDK-CHHVJCJISA-N 0 0 278.371 3.412 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001142525108 804731766 /nfs/dbraw/zinc/73/17/66/804731766.db2.gz XSHNWASGFHUCFH-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C2CC2)cc1 ZINC001142679491 804756425 /nfs/dbraw/zinc/75/64/25/804756425.db2.gz CWQUFDKLFQDKQV-UHFFFAOYSA-N 0 0 266.344 3.212 20 10 CGCDRN CC(C)(C)c1cccc(CN2CCCC(=O)[C@@H](F)C2)c1O ZINC001143103526 804801034 /nfs/dbraw/zinc/80/10/34/804801034.db2.gz FFCIFOCNOTYSJP-AWEZNQCLSA-N 0 0 293.382 3.193 20 10 CGCDRN CN(C)c1ccc(/C=C/c2nc(-c3ccncc3)no2)cc1 ZINC001248039198 804874092 /nfs/dbraw/zinc/87/40/92/804874092.db2.gz POCVCZURDVSLGH-VMPITWQZSA-N 0 0 292.342 3.368 20 10 CGCDRN Cc1cc(C)c(CNC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)c(O)c1 ZINC001144309189 804972069 /nfs/dbraw/zinc/97/20/69/804972069.db2.gz JNYRVMMLIQKMQX-QLFBSQMISA-N 0 0 287.403 3.452 20 10 CGCDRN Cc1ccc(-c2noc(CCc3ccc(O)c(O)c3)n2)cc1 ZINC001248984704 805067190 /nfs/dbraw/zinc/06/71/90/805067190.db2.gz XXDXWNXUALHWHS-UHFFFAOYSA-N 0 0 296.326 3.241 20 10 CGCDRN Cc1cc(Cl)nc(C(=O)N(C)Cc2ccccc2O)c1 ZINC001149871947 805247759 /nfs/dbraw/zinc/24/77/59/805247759.db2.gz MUMWQXLSNGYXJO-UHFFFAOYSA-N 0 0 290.750 3.021 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)C1=CC(=O)CS1 ZINC001151068536 805280592 /nfs/dbraw/zinc/28/05/92/805280592.db2.gz QZQJCRWKMXXPSL-UHFFFAOYSA-N 0 0 277.345 3.129 20 10 CGCDRN COc1ccc(/C=C\C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001151900530 805321041 /nfs/dbraw/zinc/32/10/41/805321041.db2.gz SFSPNCSDVGYJKO-SUIFULHWSA-N 0 0 297.354 3.291 20 10 CGCDRN Nc1ccc(Nc2cc(O)c(F)c(F)c2F)cc1 ZINC001249964588 805333373 /nfs/dbraw/zinc/33/33/73/805333373.db2.gz HHHCADVJXOVXKQ-UHFFFAOYSA-N 0 0 254.211 3.135 20 10 CGCDRN COc1cc(C)c(N(CCO)c2ccc(N)cc2)c(C)c1 ZINC001250035493 805381619 /nfs/dbraw/zinc/38/16/19/805381619.db2.gz PUXASXMBDGNXCO-UHFFFAOYSA-N 0 0 286.375 3.025 20 10 CGCDRN CCCCc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001153791353 805416219 /nfs/dbraw/zinc/41/62/19/805416219.db2.gz AELWFSANJNMBLM-UHFFFAOYSA-N 0 0 299.370 3.370 20 10 CGCDRN CSc1cnc(F)c(N(C)c2ccc(N)cc2)c1 ZINC001250144574 805441957 /nfs/dbraw/zinc/44/19/57/805441957.db2.gz BKZCYHRQMVMHBL-UHFFFAOYSA-N 0 0 263.341 3.293 20 10 CGCDRN CCOc1cc(N(C)c2ccc(N)cc2)c(Cl)cn1 ZINC001250213310 805494117 /nfs/dbraw/zinc/49/41/17/805494117.db2.gz VOKQSAMIVQOXCM-UHFFFAOYSA-N 0 0 277.755 3.484 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc([C@H]4CCC=N4)o3)cc2)c1 ZINC001256974784 807022567 /nfs/dbraw/zinc/02/25/67/807022567.db2.gz JJPXFASIUHOZPS-CQSZACIVSA-N 0 0 278.315 3.433 20 10 CGCDRN Fc1ccccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679548 815101689 /nfs/dbraw/zinc/10/16/89/815101689.db2.gz IXVPFCSDJZKMFI-UHFFFAOYSA-N 0 0 288.307 3.272 20 10 CGCDRN Oc1cc(O)c(CCNc2ccccc2C2CC2)cc1O ZINC001168014645 807301626 /nfs/dbraw/zinc/30/16/26/807301626.db2.gz XCXKGPYREONFRZ-UHFFFAOYSA-N 0 0 285.343 3.335 20 10 CGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2noc(C)n2)cc1 ZINC001261186301 807712974 /nfs/dbraw/zinc/71/29/74/807712974.db2.gz CWDAUYKFDVHZMY-LBPRGKRZSA-N 0 0 288.395 3.075 20 10 CGCDRN CCOC(=O)CN(CCC(C)C)c1ccc(OC)cc1 ZINC001169978444 807732699 /nfs/dbraw/zinc/73/26/99/807732699.db2.gz ALQBYQMEWXCBAA-UHFFFAOYSA-N 0 0 279.380 3.111 20 10 CGCDRN CCOc1ncc(Cl)cc1NCc1ccc(O)c(O)c1 ZINC001169993374 807734924 /nfs/dbraw/zinc/73/49/24/807734924.db2.gz VBUWKEUIRNDMFP-UHFFFAOYSA-N 0 0 294.738 3.157 20 10 CGCDRN Cc1c2[nH]ccc2ccc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170322270 807825724 /nfs/dbraw/zinc/82/57/24/807825724.db2.gz IRNCQMNKPKDAPN-UHFFFAOYSA-N 0 0 296.326 3.182 20 10 CGCDRN Oc1cc2ccccc2cc1C[NH2+][C@@H]1CCCOCC1 ZINC001170791803 807907582 /nfs/dbraw/zinc/90/75/82/807907582.db2.gz FDLJPUGQIHYTEL-MRXNPFEDSA-N 0 0 271.360 3.204 20 10 CGCDRN Nc1ccc(NCc2cc3ccccc3cc2O)cn1 ZINC001171404527 808047837 /nfs/dbraw/zinc/04/78/37/808047837.db2.gz FJLBPABRMMYFRE-UHFFFAOYSA-N 0 0 265.316 3.135 20 10 CGCDRN Cc1nccc(NCc2cc3ccccc3cc2O)n1 ZINC001171404515 808048143 /nfs/dbraw/zinc/04/81/43/808048143.db2.gz DRVAZGRKQQDBBM-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC001265241097 808123933 /nfs/dbraw/zinc/12/39/33/808123933.db2.gz LJBWLWZDIQTYQJ-UELRPHRMSA-N 0 0 294.354 3.299 20 10 CGCDRN C[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1O ZINC001171717328 808125631 /nfs/dbraw/zinc/12/56/31/808125631.db2.gz OMNQWUMGPCPLJG-GFCCVEGCSA-N 0 0 287.334 3.341 20 10 CGCDRN Cc1c2c[nH]nc2ccc1Nc1cccc(O)c1O ZINC001175469891 809419061 /nfs/dbraw/zinc/41/90/61/809419061.db2.gz SGRXEDNQPIQKQM-UHFFFAOYSA-N 0 0 255.277 3.026 20 10 CGCDRN CCC[C@H](NC(=O)c1ccc(C)c(O)c1O)C1CCCC1 ZINC001299225528 809545973 /nfs/dbraw/zinc/54/59/73/809545973.db2.gz RQFVQSWUQFXYIC-AWEZNQCLSA-N 0 0 291.391 3.495 20 10 CGCDRN O=C(NCc1ccc2occc2c1)C1=CC(=O)CS1 ZINC001300498600 809569655 /nfs/dbraw/zinc/56/96/55/809569655.db2.gz SDIPLIQPKOLTNC-UHFFFAOYSA-N 0 0 273.313 3.130 20 10 CGCDRN COC(=O)C1(c2ccc(Nc3cccc(O)c3O)cc2)CC1 ZINC001175920516 809572222 /nfs/dbraw/zinc/57/22/22/809572222.db2.gz ZTWSMAQEKYDAJS-UHFFFAOYSA-N 0 0 299.326 3.046 20 10 CGCDRN CCCCN(C)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177783873 809821257 /nfs/dbraw/zinc/82/12/57/809821257.db2.gz FKTDHFWYANMFDP-UHFFFAOYSA-N 0 0 288.794 3.006 20 10 CGCDRN Cc1cccc(CCC(=O)N2CCc3cccc(O)c3C2)c1 ZINC001180165323 809981529 /nfs/dbraw/zinc/98/15/29/809981529.db2.gz QKVYGTQZCBJHOX-UHFFFAOYSA-N 0 0 295.382 3.218 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001181428122 810052097 /nfs/dbraw/zinc/05/20/97/810052097.db2.gz SACLKSNQXKJTFF-OAHLLOKOSA-N 0 0 285.334 3.061 20 10 CGCDRN CCC1(CC)C[C@H]1C(=O)NCc1c(C)cc(C)cc1O ZINC001181889381 810080779 /nfs/dbraw/zinc/08/07/79/810080779.db2.gz SSJOPEUQPSKZMV-AWEZNQCLSA-N 0 0 275.392 3.452 20 10 CGCDRN C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)c(F)cc1[O-])CCOCC2 ZINC001182542887 810114513 /nfs/dbraw/zinc/11/45/13/810114513.db2.gz HRHICXSEEAIFQL-LLVKDONJSA-N 0 0 297.345 3.061 20 10 CGCDRN CC(C)(CC1CCC1)C(=O)N1CCc2cccc(O)c2C1 ZINC001183925310 810170312 /nfs/dbraw/zinc/17/03/12/810170312.db2.gz GBPVNRAGNFDGCR-UHFFFAOYSA-N 0 0 287.403 3.493 20 10 CGCDRN O=C(Nc1ccc(F)c(F)c1)Nc1cccc(O)c1O ZINC001185089783 810234278 /nfs/dbraw/zinc/23/42/78/810234278.db2.gz LYBGHQHNMYFSLV-UHFFFAOYSA-N 0 0 280.230 3.020 20 10 CGCDRN Cc1cccc(CNC(=O)NCC2CCCCC2)c1O ZINC001186894485 810371867 /nfs/dbraw/zinc/37/18/67/810371867.db2.gz VINHWLHUJOIYTL-UHFFFAOYSA-N 0 0 276.380 3.080 20 10 CGCDRN Cc1ccc(NCc2c(O)cccc2F)c([N+](=O)[O-])c1 ZINC001187676786 810414979 /nfs/dbraw/zinc/41/49/79/810414979.db2.gz DUEQWKLMZFWEAE-UHFFFAOYSA-N 0 0 276.267 3.360 20 10 CGCDRN CCCC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001193053416 810848228 /nfs/dbraw/zinc/84/82/28/810848228.db2.gz UHFFLDLWRMOEDA-AWEZNQCLSA-N 0 0 291.439 3.473 20 10 CGCDRN Oc1cc(Cl)ccc1Nc1ccnc2cccnc21 ZINC001214402980 815404250 /nfs/dbraw/zinc/40/42/50/815404250.db2.gz XGGBMUJHETUXJG-UHFFFAOYSA-N 0 0 271.707 3.154 20 10 CGCDRN C[C@@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1O ZINC001195055910 811191801 /nfs/dbraw/zinc/19/18/01/811191801.db2.gz XAOBCZHLNLJLRT-SNVBAGLBSA-N 0 0 275.279 3.381 20 10 CGCDRN CCOc1ccc(N(Cc2ccno2)CC2CC2)cc1 ZINC001196952171 811386395 /nfs/dbraw/zinc/38/63/95/811386395.db2.gz DBSVUBIJQTYINQ-UHFFFAOYSA-N 0 0 272.348 3.490 20 10 CGCDRN CN(Cc1c(O)ccc(F)c1Cl)CC(F)(F)F ZINC001237122048 819672438 /nfs/dbraw/zinc/67/24/38/819672438.db2.gz REVPAEGTVUNVFU-UHFFFAOYSA-N 0 0 271.641 3.179 20 10 CGCDRN O=C(Nc1ccc(F)cc1)N1CCc2cccc(O)c2C1 ZINC001202355804 812072358 /nfs/dbraw/zinc/07/23/58/812072358.db2.gz RXQHPJKIJLFKBZ-UHFFFAOYSA-N 0 0 286.306 3.122 20 10 CGCDRN CC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203584617 812400678 /nfs/dbraw/zinc/40/06/78/812400678.db2.gz DJHQIJDDVWYAML-SECBINFHSA-N 0 0 288.174 3.110 20 10 CGCDRN Oc1cccc2c1CN(Cc1ccc(F)cc1F)CC2 ZINC001204212589 812575508 /nfs/dbraw/zinc/57/55/08/812575508.db2.gz SSCNDQKFYKXBPN-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN C[C@@H]1CC(=O)CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233344 812580140 /nfs/dbraw/zinc/58/01/40/812580140.db2.gz QFRWMFKBFIETBQ-CQSZACIVSA-N 0 0 296.414 3.459 20 10 CGCDRN 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/nfs/dbraw/zinc/04/68/01/932046801.db2.gz MZKFTPBZXMKPCU-LLVKDONJSA-N 0 0 294.370 3.157 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc2nccnc2c1 ZINC001461990713 937610729 /nfs/dbraw/zinc/61/07/29/937610729.db2.gz YXCNCNMANNRTDO-UHFFFAOYSA-N 0 0 291.354 3.201 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462333273 937633098 /nfs/dbraw/zinc/63/30/98/937633098.db2.gz MKPXSGCPLDEVQE-NOZJJQNGSA-N 0 0 255.308 3.195 20 10 CGCDRN CC(C)c1ccc(NC(=O)C2=CC(=O)CS2)cn1 ZINC001303928182 932836851 /nfs/dbraw/zinc/83/68/51/932836851.db2.gz FKXMCMJVFCWELO-UHFFFAOYSA-N 0 0 262.334 3.224 20 10 CGCDRN CC(C)(C(=O)NCc1c(O)cccc1O)C1CCCCC1 ZINC001304053055 932841736 /nfs/dbraw/zinc/84/17/36/932841736.db2.gz AVJCHLJHXICBJS-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN CCC(C)(C)OC1CN(Cc2ccc(C)cc2O)C1 ZINC001462440810 937641269 /nfs/dbraw/zinc/64/12/69/937641269.db2.gz LTXFEIKEZHETSJ-UHFFFAOYSA-N 0 0 263.381 3.090 20 10 CGCDRN CC/C=C/CCN1CCOc2cc(N(C)C)ccc21 ZINC001307647721 932980077 /nfs/dbraw/zinc/98/00/77/932980077.db2.gz HUJDDTKIXQAATR-AATRIKPKSA-N 0 0 260.381 3.308 20 10 CGCDRN C[C@]12C[N@H+](Cc3cccc(F)c3[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001462617659 937654487 /nfs/dbraw/zinc/65/44/87/937654487.db2.gz KHVXJBHOBZZWCP-XZBIERFOSA-N 0 0 273.351 3.175 20 10 CGCDRN CO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001308763946 933172293 /nfs/dbraw/zinc/17/22/93/933172293.db2.gz CIPFROYXBWVTJN-GJZGRUSLSA-N 0 0 297.345 3.060 20 10 CGCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(Cl)cc1 ZINC001462974150 937665287 /nfs/dbraw/zinc/66/52/87/937665287.db2.gz FTQSREYGZBLOFO-TWGQIWQCSA-N 0 0 289.766 3.140 20 10 CGCDRN Cc1cc(F)cc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001310419314 933255164 /nfs/dbraw/zinc/25/51/64/933255164.db2.gz PYEBSYKXLYBFID-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN CN(C)c1ccc(CNC(=O)NCCCCC2CC2)cc1 ZINC001311546033 933303068 /nfs/dbraw/zinc/30/30/68/933303068.db2.gz QTNJWPNPHQQTOM-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN COc1cccc(C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC001466367116 937708373 /nfs/dbraw/zinc/70/83/73/937708373.db2.gz XNGJRMJNZZICBG-UHFFFAOYSA-N 0 0 298.342 3.257 20 10 CGCDRN CC[C@]1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001321703238 934204969 /nfs/dbraw/zinc/20/49/69/934204969.db2.gz VVEQJSIXNFZDFD-GOSISDBHSA-N 0 0 288.435 3.288 20 10 CGCDRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC001471194057 937762297 /nfs/dbraw/zinc/76/22/97/937762297.db2.gz BPNFKEAYLSKLLG-JTQLQIEISA-N 0 0 289.306 3.031 20 10 CGCDRN C[C@H](NC(=O)c1ccc(Cl)nc1F)c1ccccc1O ZINC001471195223 937762588 /nfs/dbraw/zinc/76/25/88/937762588.db2.gz UXMCGWSNJAWZBY-QMMMGPOBSA-N 0 0 294.713 3.071 20 10 CGCDRN C[C@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1O ZINC001471194599 937762668 /nfs/dbraw/zinc/76/26/68/937762668.db2.gz LVQVMXYCWGZBQY-NSHDSACASA-N 0 0 291.297 3.361 20 10 CGCDRN C[C@@H](CC(=O)Nc1c2nonc2ccc1Cl)C1CC1 ZINC001323705735 934420170 /nfs/dbraw/zinc/42/01/70/934420170.db2.gz AZLZSZNHVZHMKY-ZETCQYMHSA-N 0 0 279.727 3.251 20 10 CGCDRN CC(C)(NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC001471891823 937770325 /nfs/dbraw/zinc/77/03/25/937770325.db2.gz PIKBEUHBBQBYIM-UHFFFAOYSA-N 0 0 279.336 3.258 20 10 CGCDRN COc1ccc(N(C)CCSC(F)(F)F)cc1OC ZINC001473133332 937793808 /nfs/dbraw/zinc/79/38/08/937793808.db2.gz UOLGCRSVLGCXKU-UHFFFAOYSA-N 0 0 295.326 3.393 20 10 CGCDRN O=C(NC1(c2cccc(F)c2)CCC1)C1=CC(=O)CS1 ZINC001329337010 935206605 /nfs/dbraw/zinc/20/66/05/935206605.db2.gz AOLYKHKDWDUSID-UHFFFAOYSA-N 0 0 291.347 3.402 20 10 CGCDRN c1nc2c(n1Cc1ccc(N3CCCC3)cc1)CCCC2 ZINC001330099611 935269337 /nfs/dbraw/zinc/26/93/37/935269337.db2.gz QCQCDNKHSVITKS-UHFFFAOYSA-N 0 0 281.403 3.410 20 10 CGCDRN Oc1cccc2c1CN(c1nc(C3CC3)nc3[nH]ccc31)C2 ZINC001331958705 935427130 /nfs/dbraw/zinc/42/71/30/935427130.db2.gz BCMWNHSBRHZNPG-UHFFFAOYSA-N 0 0 292.342 3.061 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001333587917 935550512 /nfs/dbraw/zinc/55/05/12/935550512.db2.gz LVOPRPCVCLTFNC-MXWKQRLJSA-N 0 0 289.272 3.194 20 10 CGCDRN CN(C(=O)NCc1ccc(N)cc1)C1CCC(C)(C)CC1 ZINC001335738284 936157858 /nfs/dbraw/zinc/15/78/58/936157858.db2.gz YOGWCECKRSACQC-UHFFFAOYSA-N 0 0 289.423 3.379 20 10 CGCDRN CCN(CCc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC001337018978 936232968 /nfs/dbraw/zinc/23/29/68/936232968.db2.gz NWLUXVZBOOIHHI-UHFFFAOYSA-N 0 0 297.402 3.043 20 10 CGCDRN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1 ZINC001337395955 936255748 /nfs/dbraw/zinc/25/57/48/936255748.db2.gz MSKXRFHEGWUPIY-CHWSQXEVSA-N 0 0 269.385 3.247 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC001474394253 937857217 /nfs/dbraw/zinc/85/72/17/937857217.db2.gz FYRFPEMMRZMYDP-OAHLLOKOSA-N 0 0 295.810 3.437 20 10 CGCDRN Cc1ccc(CNc2c[nH]nc2-c2ccccn2)c(O)c1 ZINC001474407742 937857877 /nfs/dbraw/zinc/85/78/77/937857877.db2.gz CWUWLWJOFISQGD-UHFFFAOYSA-N 0 0 280.331 3.098 20 10 CGCDRN C[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001474422546 937858833 /nfs/dbraw/zinc/85/88/33/937858833.db2.gz LSOKICAFNZXURB-ZCFIWIBFSA-N 0 0 269.213 3.101 20 10 CGCDRN COc1ccc(F)cc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001474463816 937861410 /nfs/dbraw/zinc/86/14/10/937861410.db2.gz AANADEIGWXLIKB-UHFFFAOYSA-N 0 0 297.276 3.108 20 10 CGCDRN CC(C)OC1CCC([NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001474638211 937872051 /nfs/dbraw/zinc/87/20/51/937872051.db2.gz COBLRDWUNAVQRZ-UHFFFAOYSA-N 0 0 299.361 3.496 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C\c1cccnc1C)CC2 ZINC001534244553 938095311 /nfs/dbraw/zinc/09/53/11/938095311.db2.gz NDTPRYJNGONKKX-HJWRWDBZSA-N 0 0 278.355 3.301 20 10 CGCDRN CC[C@@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001538705208 938120186 /nfs/dbraw/zinc/12/01/86/938120186.db2.gz DIEXAQIGWNJREL-GFCCVEGCSA-N 0 0 298.386 3.435 20 10 CGCDRN O=C(Nc1cccc2ncccc21)C1=CC(=O)CS1 ZINC001540456302 938131555 /nfs/dbraw/zinc/13/15/55/938131555.db2.gz LUHWEKQXZFRLNH-UHFFFAOYSA-N 0 0 270.313 3.254 20 10 CGCDRN COc1c(Cl)cccc1NC(=O)C1=CC(=O)CS1 ZINC001542305425 938135731 /nfs/dbraw/zinc/13/57/31/938135731.db2.gz XDKBHFHSVLWPCR-UHFFFAOYSA-N 0 0 283.736 3.368 20 10 CGCDRN C/C(=C/C(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001558454220 938215609 /nfs/dbraw/zinc/21/56/09/938215609.db2.gz BVYMQLVGVHHUNX-BENRWUELSA-N 0 0 285.318 3.251 20 10 CGCDRN O=C(C[C@@H]1CCCCO1)NCc1c(O)ccc2ccccc21 ZINC001558554374 938216322 /nfs/dbraw/zinc/21/63/22/938216322.db2.gz PYATYRKRFOIJHY-AWEZNQCLSA-N 0 0 299.370 3.121 20 10 CGCDRN CCc1cc(Sc2ncc(Cl)s2)ncn1 ZINC001559246944 938223584 /nfs/dbraw/zinc/22/35/84/938223584.db2.gz LPEOVJSPPYZXEL-UHFFFAOYSA-N 0 0 257.771 3.300 20 10 CGCDRN COC(=O)c1cnc(SC[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC001559416451 938226402 /nfs/dbraw/zinc/22/64/02/938226402.db2.gz KASKWODGQPENAE-KXUCPTDWSA-N 0 0 283.418 3.458 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCCC(C)(C)O2)c(OC)c1 ZINC001559665046 938232288 /nfs/dbraw/zinc/23/22/88/938232288.db2.gz BKTLQDRTISIETQ-CQSZACIVSA-N 0 0 293.407 3.488 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001560122823 938244694 /nfs/dbraw/zinc/24/46/94/938244694.db2.gz IXBKHHUBMNGHGW-IRXDYDNUSA-N 0 0 275.392 3.479 20 10 CGCDRN Cc1cccc(CNc2ccc3c(c2)ncn3C)c1 ZINC001560378983 938256049 /nfs/dbraw/zinc/25/60/49/938256049.db2.gz FFLBIKSPBAHZLN-UHFFFAOYSA-N 0 0 251.333 3.494 20 10 CGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)C12CCCC2 ZINC001561016026 938289710 /nfs/dbraw/zinc/28/97/10/938289710.db2.gz MVWATKNKCBLCIV-JKSUJKDBSA-N 0 0 293.382 3.359 20 10 CGCDRN CC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(C(C)C)ccc1O ZINC001594824654 960520302 /nfs/dbraw/zinc/52/03/02/960520302.db2.gz AHTZTFMAJVKQRZ-MRXNPFEDSA-N 0 0 279.380 3.249 20 10 CGCDRN C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001576561352 962469066 /nfs/dbraw/zinc/46/90/66/962469066.db2.gz KLLWIPUKLOJKDD-SFHVURJKSA-N 0 0 282.387 3.016 20 10 CGCDRN COc1cc(C)cc(CNc2cc(C)cc(N)c2)c1O ZINC001579146030 962614444 /nfs/dbraw/zinc/61/44/44/962614444.db2.gz ZJJRPLXQOKPWOE-UHFFFAOYSA-N 0 0 272.348 3.212 20 10 CGCDRN Cc1sc(Cl)nc1C(=O)N[C@@H](C)c1ccccc1O ZINC001587451399 963195144 /nfs/dbraw/zinc/19/51/44/963195144.db2.gz TUKRGBSIJUGFHA-ZETCQYMHSA-N 0 0 296.779 3.302 20 10 CGCDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)c1ccc(N(C)C)cc1 ZINC000315545117 963913290 /nfs/dbraw/zinc/91/32/90/963913290.db2.gz CIGNDUFGGBZKFU-DYVFJYSZSA-N 0 0 298.386 3.229 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593240704 994430580 /nfs/dbraw/zinc/43/05/80/994430580.db2.gz RNXUWHTVKRBSDK-WDEREUQCSA-N 0 0 279.380 3.423 20 10 CGCDRN C[C@H]([NH2+]CCC(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593261201 994548082 /nfs/dbraw/zinc/54/80/82/994548082.db2.gz KXVXOHUQLXZIPK-JTQLQIEISA-N 0 0 265.353 3.177 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2ccccc21 ZINC000042116878 344977690 /nfs/dbraw/zinc/97/76/90/344977690.db2.gz NFZJUTFAAJIPNZ-QGZVFWFLSA-N 0 0 295.382 3.471 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1occc1C ZINC000053662256 345124415 /nfs/dbraw/zinc/12/44/15/345124415.db2.gz QHLHHGUBMCCSQR-UHFFFAOYSA-N 0 0 286.375 3.316 20 10 CGCDRN Cc1ccccc1CN(C)C(=O)CSc1nccs1 ZINC000076405154 345542744 /nfs/dbraw/zinc/54/27/44/345542744.db2.gz VSBIRITZUITBSP-UHFFFAOYSA-N 0 0 292.429 3.202 20 10 CGCDRN COc1cccc(CNc2ncnc3ccc(F)cc32)c1O ZINC000092649011 345848698 /nfs/dbraw/zinc/84/86/98/345848698.db2.gz HEEQPWLZZFDZLT-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(N)cc1 ZINC000019396065 368749576 /nfs/dbraw/zinc/74/95/76/368749576.db2.gz BENMOBXXFFJZBW-GFCCVEGCSA-N 0 0 264.369 3.049 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc(F)cc2)cn1 ZINC000493244459 244124228 /nfs/dbraw/zinc/12/42/28/244124228.db2.gz ZOPITMVENHQIEH-YHYXMXQVSA-N 0 0 270.307 3.205 20 10 CGCDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2cncs2)c1 ZINC000493256841 244128247 /nfs/dbraw/zinc/12/82/47/244128247.db2.gz LKEZDBAGHBSPTP-SREVYHEPSA-N 0 0 272.373 3.436 20 10 CGCDRN CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000075423928 369907833 /nfs/dbraw/zinc/90/78/33/369907833.db2.gz AWWKYDDXUPPSDU-CZUORRHYSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)c(F)c1[O-] ZINC000187760297 296163857 /nfs/dbraw/zinc/16/38/57/296163857.db2.gz QTONEMVEKFFMJR-QIRAZROLSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@H]([NH2+][C@H]1CSC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000283487036 299428292 /nfs/dbraw/zinc/42/82/92/299428292.db2.gz XPXGKTOPQQBHMI-XVKPBYJWSA-N 0 0 273.348 3.215 20 10 CGCDRN COc1ccc(O)c(CN(C)Cc2c(F)cccc2F)c1 ZINC000293556515 372409717 /nfs/dbraw/zinc/40/97/17/372409717.db2.gz FNCRJFCCVJQXSN-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000293733159 372465043 /nfs/dbraw/zinc/46/50/43/372465043.db2.gz WOCGSHHGIPCCFO-ZBINZKHDSA-N 0 0 299.773 3.232 20 10 CGCDRN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(O)c1 ZINC000293955817 372536336 /nfs/dbraw/zinc/53/63/36/372536336.db2.gz JCEHHPSKSURYSK-CYBMUJFWSA-N 0 0 267.344 3.115 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293973922 372542788 /nfs/dbraw/zinc/54/27/88/372542788.db2.gz QWUDVIHJTXLRLA-AWEZNQCLSA-N 0 0 299.773 3.064 20 10 CGCDRN Cc1nnc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)s1 ZINC000294680713 372666218 /nfs/dbraw/zinc/66/62/18/372666218.db2.gz SOEIZNDAWJAWGH-LLVKDONJSA-N 0 0 290.436 3.072 20 10 CGCDRN COC(=O)c1cnc(SCCSC(C)C)s1 ZINC000295285037 372726191 /nfs/dbraw/zinc/72/61/91/372726191.db2.gz KZHFOZJHAVVWTF-UHFFFAOYSA-N 0 0 277.436 3.163 20 10 CGCDRN CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000295824399 372923005 /nfs/dbraw/zinc/92/30/05/372923005.db2.gz BZHKHLBXMJQMNE-VHSXEESVSA-N 0 0 295.333 3.299 20 10 CGCDRN CCc1nnc(NCc2ccc(N(CC)CC)c(F)c2)o1 ZINC000296120524 373026556 /nfs/dbraw/zinc/02/65/56/373026556.db2.gz VGRYCYYBWOMNFD-UHFFFAOYSA-N 0 0 292.358 3.229 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCCCO)c(O)c1C ZINC000296575335 373182139 /nfs/dbraw/zinc/18/21/39/373182139.db2.gz TYOYLPNINVRDKX-GXTWGEPZSA-N 0 0 265.397 3.211 20 10 CGCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(N)cc2)CC1 ZINC000297161436 373259187 /nfs/dbraw/zinc/25/91/87/373259187.db2.gz JSXQZNYNKUKIMX-MQMHXKEQSA-N 0 0 260.381 3.101 20 10 CGCDRN Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297293893 373263422 /nfs/dbraw/zinc/26/34/22/373263422.db2.gz VAJQYKCQJYPTLG-CQSZACIVSA-N 0 0 282.387 3.387 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179878436 373935062 /nfs/dbraw/zinc/93/50/62/373935062.db2.gz HLYKRDGFWXVJSO-AWEZNQCLSA-N 0 0 294.826 3.106 20 10 CGCDRN COc1ccc(N(C)Cc2cn(C)nc2C)cc1Cl ZINC000180770511 374045187 /nfs/dbraw/zinc/04/51/87/374045187.db2.gz MMUGTGNDLMFWIS-UHFFFAOYSA-N 0 0 279.771 3.027 20 10 CGCDRN CC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000180976461 374066490 /nfs/dbraw/zinc/06/64/90/374066490.db2.gz HTSOJWDLZCVJMY-UHFFFAOYSA-N 0 0 295.386 3.497 20 10 CGCDRN Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)c(O)c1O ZINC000182394807 374268280 /nfs/dbraw/zinc/26/82/80/374268280.db2.gz DMTLZLGKNWZQQI-GFCCVEGCSA-N 0 0 297.354 3.166 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2=CCCCCC2)cc1 ZINC000185359271 374646685 /nfs/dbraw/zinc/64/66/85/374646685.db2.gz RURHFJCOBPMAHI-UHFFFAOYSA-N 0 0 272.392 3.259 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(F)c(F)c1[O-] ZINC000187689046 375074082 /nfs/dbraw/zinc/07/40/82/375074082.db2.gz CGNNLHWSIMJMGC-SNVBAGLBSA-N 0 0 293.313 3.269 20 10 CGCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187789172 375094811 /nfs/dbraw/zinc/09/48/11/375094811.db2.gz GAGLZJKOEOOGHF-ZJUUUORDSA-N 0 0 287.350 3.118 20 10 CGCDRN COc1ccc(N(C[C@H](O)CSC)[C@@H](C)C2CC2)cc1 ZINC000188058640 375150061 /nfs/dbraw/zinc/15/00/61/375150061.db2.gz WESPMENALRBGCB-WFASDCNBSA-N 0 0 295.448 3.024 20 10 CGCDRN CN(C)C(=O)CCCSc1ncc(C(C)(C)C)s1 ZINC000188077114 375153669 /nfs/dbraw/zinc/15/36/69/375153669.db2.gz QRZCRHZBTHCFCY-UHFFFAOYSA-N 0 0 286.466 3.401 20 10 CGCDRN CCOC1CC(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000189256142 375349785 /nfs/dbraw/zinc/34/97/85/375349785.db2.gz YNLIVFMKCVKGGI-LKSINWNRSA-N 0 0 281.371 3.387 20 10 CGCDRN C/C=C(\CC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000190726132 375534373 /nfs/dbraw/zinc/53/43/73/375534373.db2.gz YJDWWSAKQOEKKJ-KGVSQERTSA-N 0 0 273.376 3.244 20 10 CGCDRN CC[C@@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000190226946 375486638 /nfs/dbraw/zinc/48/66/38/375486638.db2.gz AUJVKHGENAEKRV-OAHLLOKOSA-N 0 0 283.799 3.030 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H]2CCO[C@@H]21 ZINC000191179937 375590096 /nfs/dbraw/zinc/59/00/96/375590096.db2.gz XTILVSSKXSGNGX-WZYXQFPFSA-N 0 0 299.773 3.088 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CC=CC1 ZINC000529642278 375931592 /nfs/dbraw/zinc/93/15/92/375931592.db2.gz SWQOMFPPMFGPDD-UHFFFAOYSA-N 0 0 255.720 3.241 20 10 CGCDRN Cc1cc(C(=O)N2CC=C(C)CC2)c(C)n1-c1ccccn1 ZINC000270103948 378308097 /nfs/dbraw/zinc/30/80/97/378308097.db2.gz MECIRXSMWZLXDN-UHFFFAOYSA-N 0 0 295.386 3.281 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C)s2)cc1Cl ZINC000271473888 378495660 /nfs/dbraw/zinc/49/56/60/378495660.db2.gz WLIHPBCAERUXDW-UHFFFAOYSA-N 0 0 283.784 3.145 20 10 CGCDRN CO[C@@H](C)c1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000271724915 378502194 /nfs/dbraw/zinc/50/21/94/378502194.db2.gz YPTFSSRWHGDZIK-QWRGUYRKSA-N 0 0 292.404 3.407 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000271795492 378504204 /nfs/dbraw/zinc/50/42/04/378504204.db2.gz HSZZRRZPRAYFSE-GFCCVEGCSA-N 0 0 281.783 3.237 20 10 CGCDRN [O-]c1c(F)cccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000272332568 378614089 /nfs/dbraw/zinc/61/40/89/378614089.db2.gz WTZDMNRYWJBWNT-UHFFFAOYSA-N 0 0 275.245 3.226 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000273145233 378737734 /nfs/dbraw/zinc/73/77/34/378737734.db2.gz POKMIEZXZPPWPP-DLBZAZTESA-N 0 0 275.392 3.056 20 10 CGCDRN C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000273361057 378742568 /nfs/dbraw/zinc/74/25/68/378742568.db2.gz AJKGUONSVRLRAQ-RKDXNWHRSA-N 0 0 295.276 3.149 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273369851 378742627 /nfs/dbraw/zinc/74/26/27/378742627.db2.gz FUMWUGZODOIDLG-RKDXNWHRSA-N 0 0 290.190 3.386 20 10 CGCDRN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000272800512 378706593 /nfs/dbraw/zinc/70/65/93/378706593.db2.gz BKBDGIPAGUJMBJ-HZMBPMFUSA-N 0 0 293.313 3.055 20 10 CGCDRN CCC(CC)c1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000731867969 572432999 /nfs/dbraw/zinc/43/29/99/572432999.db2.gz FMQCZIFVEUEPIG-UHFFFAOYSA-N 0 0 297.405 3.461 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H](C)C2CCCCC2)c(O)c1O ZINC000282468239 379926424 /nfs/dbraw/zinc/92/64/24/379926424.db2.gz KMXMIYXNGBASKC-GFCCVEGCSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1C ZINC000283759739 380087567 /nfs/dbraw/zinc/08/75/67/380087567.db2.gz AVRNEUMAMIXGNE-DOTOQJQBSA-N 0 0 275.392 3.152 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[C@H]1C ZINC000409610245 380048507 /nfs/dbraw/zinc/04/85/07/380048507.db2.gz ZPCIEBOBZHILRL-IUODEOHRSA-N 0 0 299.418 3.475 20 10 CGCDRN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)CCO)c(O)c1 ZINC000284293483 380138901 /nfs/dbraw/zinc/13/89/01/380138901.db2.gz YEEMXGNNNYPKNE-CYBMUJFWSA-N 0 0 265.397 3.068 20 10 CGCDRN Cc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000286184044 380173019 /nfs/dbraw/zinc/17/30/19/380173019.db2.gz QKFNEHIGZJWADV-UHFFFAOYSA-N 0 0 286.379 3.005 20 10 CGCDRN CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(F)cc1[O-] ZINC000286232909 380178942 /nfs/dbraw/zinc/17/89/42/380178942.db2.gz SYCWDXIQZXKLJY-RISCZKNCSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000285532763 380149974 /nfs/dbraw/zinc/14/99/74/380149974.db2.gz FOOBYXNTKIZUDO-RDJZCZTQSA-N 0 0 289.350 3.306 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000285903253 380153274 /nfs/dbraw/zinc/15/32/74/380153274.db2.gz BLABSLDUPMXQGA-KBPBESRZSA-N 0 0 293.338 3.289 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC1CC1 ZINC000643610328 380368541 /nfs/dbraw/zinc/36/85/41/380368541.db2.gz RLUQYHWHSFWACZ-UHFFFAOYSA-N 0 0 288.391 3.058 20 10 CGCDRN C[C@H]1CCC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000732276733 572457161 /nfs/dbraw/zinc/45/71/61/572457161.db2.gz ZFLDFWWUDMBNGK-UWVGGRQHSA-N 0 0 253.367 3.010 20 10 CGCDRN COCCCCCOc1ccc(N2CCCC2)cc1 ZINC000178191734 392674402 /nfs/dbraw/zinc/67/44/02/392674402.db2.gz NSMLACAQMNDBRN-UHFFFAOYSA-N 0 0 263.381 3.482 20 10 CGCDRN CN(Cc1nc2c(s1)CCCC2)Cc1ccccc1O ZINC000179573751 392704705 /nfs/dbraw/zinc/70/47/05/392704705.db2.gz JFACQYZZAXODOP-UHFFFAOYSA-N 0 0 288.416 3.360 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273607903 292066818 /nfs/dbraw/zinc/06/68/18/292066818.db2.gz USYPEPKIDWEBJO-MNOVXSKESA-N 0 0 296.367 3.155 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1cccc(Cl)c1[O-] ZINC000286860086 286911192 /nfs/dbraw/zinc/91/11/92/286911192.db2.gz AFFNEJJCTLUURR-OCCSQVGLSA-N 0 0 271.788 3.247 20 10 CGCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155685269 261105841 /nfs/dbraw/zinc/10/58/41/261105841.db2.gz JVTJNLLQWFQISL-HNNXBMFYSA-N 0 0 299.418 3.004 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)C(C)(C)F)cc2)CC1 ZINC000156375357 261121622 /nfs/dbraw/zinc/12/16/22/261121622.db2.gz GKTXIXAZAWSZTL-UHFFFAOYSA-N 0 0 292.398 3.287 20 10 CGCDRN CC[C@H](C)[C@H](C)N(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000156523980 261125406 /nfs/dbraw/zinc/12/54/06/261125406.db2.gz BRHQFGNUQCHTOJ-STQMWFEESA-N 0 0 274.408 3.237 20 10 CGCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1cscn1 ZINC000162326621 261277758 /nfs/dbraw/zinc/27/77/58/261277758.db2.gz FKQOVXCTKZYNDT-NSHDSACASA-N 0 0 261.394 3.060 20 10 CGCDRN COC(=O)[C@H](F)CSc1ncc(C(C)(C)C)s1 ZINC000164347333 261348980 /nfs/dbraw/zinc/34/89/80/261348980.db2.gz FOAMVPPALIVBMO-SSDOTTSWSA-N 0 0 277.386 3.044 20 10 CGCDRN CCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183426191 261974513 /nfs/dbraw/zinc/97/45/13/261974513.db2.gz RDLKNMNSLOBOBV-GFCCVEGCSA-N 0 0 299.370 3.021 20 10 CGCDRN CCOCCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186155312 262081933 /nfs/dbraw/zinc/08/19/33/262081933.db2.gz YKNDZZIQAXFCEI-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186170281 262312418 /nfs/dbraw/zinc/31/24/18/262312418.db2.gz HBFSOGWJYTYNDD-CYBMUJFWSA-N 0 0 265.397 3.150 20 10 CGCDRN CC(=O)Nc1cccc2c1CCCN2Cc1ccccc1O ZINC000272570667 263006743 /nfs/dbraw/zinc/00/67/43/263006743.db2.gz VRZSZDIMWJAJDW-UHFFFAOYSA-N 0 0 296.370 3.303 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000285903263 263096282 /nfs/dbraw/zinc/09/62/82/263096282.db2.gz BLABSLDUPMXQGA-ZIAGYGMSSA-N 0 0 293.338 3.289 20 10 CGCDRN C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000289756032 263111752 /nfs/dbraw/zinc/11/17/52/263111752.db2.gz QWBQZHVEABDHLM-GXTWGEPZSA-N 0 0 281.371 3.047 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCOC1 ZINC000363030938 267073739 /nfs/dbraw/zinc/07/37/39/267073739.db2.gz OANHMDXCOUFYIG-NSHDSACASA-N 0 0 283.318 3.077 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc(Cl)c1[O-] ZINC000287613496 288049541 /nfs/dbraw/zinc/04/95/41/288049541.db2.gz JJQJOKWNYMINIV-RISCZKNCSA-N 0 0 282.815 3.181 20 10 CGCDRN C[C@H](c1cccnc1)N1CCOc2cc(N(C)C)ccc21 ZINC000271722124 290272067 /nfs/dbraw/zinc/27/20/67/290272067.db2.gz ROIKAQOEJHFEDM-CYBMUJFWSA-N 0 0 283.375 3.108 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000301911544 295027163 /nfs/dbraw/zinc/02/71/63/295027163.db2.gz GPQDSSNZFSRYAP-PHIMTYICSA-N 0 0 294.351 3.094 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)SC)cc1 ZINC000179246133 327800876 /nfs/dbraw/zinc/80/08/76/327800876.db2.gz PRFZEVZFCNRDGI-CYBMUJFWSA-N 0 0 294.464 3.291 20 10 CGCDRN C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185119706 327836741 /nfs/dbraw/zinc/83/67/41/327836741.db2.gz KPLOXPUZYWHABV-VXGBXAGGSA-N 0 0 289.350 3.435 20 10 CGCDRN CCN(CC)c1ccc(CNc2cnccn2)cc1F ZINC000109001798 327257466 /nfs/dbraw/zinc/25/74/66/327257466.db2.gz FASLRAUYPHXRAK-UHFFFAOYSA-N 0 0 274.343 3.074 20 10 CGCDRN Oc1ccc(Cl)cc1CNCc1noc2c1CCCC2 ZINC000377398437 329014235 /nfs/dbraw/zinc/01/42/35/329014235.db2.gz MDEAKDYFLCGUQF-UHFFFAOYSA-N 0 0 292.766 3.202 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3ccnc(C)n3)cc12 ZINC000421206663 329805878 /nfs/dbraw/zinc/80/58/78/329805878.db2.gz VLDSORSVDWKSET-UHFFFAOYSA-N 0 0 281.359 3.473 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)cc1C ZINC000527801998 330284286 /nfs/dbraw/zinc/28/42/86/330284286.db2.gz MJTBVPIATQNVOZ-CVEARBPZSA-N 0 0 263.381 3.055 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CC=CCC1 ZINC000471242067 331504731 /nfs/dbraw/zinc/50/47/31/331504731.db2.gz HNQHHJNDAVKXRI-CQSZACIVSA-N 0 0 282.387 3.459 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)[C@H](C)C1 ZINC000472230406 331532356 /nfs/dbraw/zinc/53/23/56/331532356.db2.gz OHMLAWFPQMQQKH-BETUJISGSA-N 0 0 299.418 3.284 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccc(F)c(F)c1 ZINC000492409137 332396014 /nfs/dbraw/zinc/39/60/14/332396014.db2.gz ADWATMDCBNZESX-ZZXKWVIFSA-N 0 0 288.297 3.344 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ncccc1C ZINC000492591895 332404756 /nfs/dbraw/zinc/40/47/56/332404756.db2.gz HVFAUXRNDQWKSP-BQYQJAHWSA-N 0 0 281.359 3.160 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000529637683 333502362 /nfs/dbraw/zinc/50/23/62/333502362.db2.gz 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/nfs/dbraw/zinc/36/39/40/618363940.db2.gz CAYXTWUBMZLAKC-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN COc1ccc(N(C)CCCc2cnn(C)c2)cc1Cl ZINC000121939855 618666980 /nfs/dbraw/zinc/66/69/80/618666980.db2.gz XDTHPPJPGYNINY-UHFFFAOYSA-N 0 0 293.798 3.151 20 10 CGCDRN COc1ccc(N(C)CCCCCCCO)cc1F ZINC000177066443 618785407 /nfs/dbraw/zinc/78/54/07/618785407.db2.gz YRTHALHKTATNPI-UHFFFAOYSA-N 0 0 269.360 3.213 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccncc1 ZINC000156663149 618844418 /nfs/dbraw/zinc/84/44/18/618844418.db2.gz YYZUGNQYYCUNFJ-AWEZNQCLSA-N 0 0 269.392 3.307 20 10 CGCDRN C[C@H](NCc1nnc(C2CC2)s1)c1cc(F)ccc1O ZINC000840889107 618907287 /nfs/dbraw/zinc/90/72/87/618907287.db2.gz BQTOTTBZQGGOBR-QMMMGPOBSA-N 0 0 293.367 3.111 20 10 CGCDRN Cc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180597357 619017305 /nfs/dbraw/zinc/01/73/05/619017305.db2.gz HSJHKDWVFFQVLG-AORWBKJGSA-N 0 0 297.354 3.297 20 10 CGCDRN COc1cc(C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180957047 619021109 /nfs/dbraw/zinc/02/11/09/619021109.db2.gz SYCUGSZQZSCLRU-VMPITWQZSA-N 0 0 299.326 3.067 20 10 CGCDRN Cc1ccc(C(=O)N(C)C2CCC(C)(C)CC2)c(O)c1O ZINC000182588810 619038349 /nfs/dbraw/zinc/03/83/49/619038349.db2.gz KQEWBYGMGHFOOC-UHFFFAOYSA-N 0 0 291.391 3.447 20 10 CGCDRN O=C(/C=C\c1ccc(Cl)cc1)NCc1ccccc1O ZINC000312178789 619041407 /nfs/dbraw/zinc/04/14/07/619041407.db2.gz XEWLAZWLIJZHBM-YFHOEESVSA-N 0 0 287.746 3.375 20 10 CGCDRN C[C@@H](Nc1cccc(CCO)c1)c1ccc(N(C)C)cc1 ZINC000313139523 619163338 /nfs/dbraw/zinc/16/33/38/619163338.db2.gz GFGFEOCXSHKUMB-CQSZACIVSA-N 0 0 284.403 3.461 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@H]1CCCO1 ZINC000248521368 619182625 /nfs/dbraw/zinc/18/26/25/619182625.db2.gz RNENWFHOEHYREA-RIEGTJTDSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]1c2cccn2CCN1Cc1cc(F)cc(F)c1[O-] ZINC000893879440 619325995 /nfs/dbraw/zinc/32/59/95/619325995.db2.gz GGCGVTFWLIAFFK-JTQLQIEISA-N 0 0 278.302 3.049 20 10 CGCDRN COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC000893881487 619326688 /nfs/dbraw/zinc/32/66/88/619326688.db2.gz UZZFUBQYMQRNKH-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN COC(=O)CCCSc1ncc(-c2ccccc2)n1C ZINC000120916506 619713705 /nfs/dbraw/zinc/71/37/05/619713705.db2.gz YXFDQCHWFHDQOY-UHFFFAOYSA-N 0 0 290.388 3.132 20 10 CGCDRN CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185527864 625370002 /nfs/dbraw/zinc/37/00/02/625370002.db2.gz OPUXDWUKNPKDCE-BLLLJJGKSA-N 0 0 283.387 3.369 20 10 CGCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)C(C)(C)C ZINC000895587580 619855428 /nfs/dbraw/zinc/85/54/28/619855428.db2.gz ZQRLPFTXKHNQLB-SECBINFHSA-N 0 0 284.787 3.279 20 10 CGCDRN Cc1cc(NCc2c(O)cccc2F)nc(C2CC2)n1 ZINC000895832157 619894525 /nfs/dbraw/zinc/89/45/25/619894525.db2.gz CINLOVWBPUXRLK-UHFFFAOYSA-N 0 0 273.311 3.119 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cc(C)n(C)n2)cc1 ZINC000767890829 625383438 /nfs/dbraw/zinc/38/34/38/625383438.db2.gz QMAMQPYRXDMJNU-UHFFFAOYSA-N 0 0 273.380 3.154 20 10 CGCDRN Cc1cnc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000185569008 625386207 /nfs/dbraw/zinc/38/62/07/625386207.db2.gz WWLKWVCJCGGLTJ-VIFPVBQESA-N 0 0 266.341 3.147 20 10 CGCDRN O=C(N[C@@H]1CC=CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896457851 620011451 /nfs/dbraw/zinc/01/14/51/620011451.db2.gz KFIIZZFUZPUFAR-SNVBAGLBSA-N 0 0 289.356 3.151 20 10 CGCDRN O=C(NCCC1CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896945627 620110242 /nfs/dbraw/zinc/11/02/42/620110242.db2.gz UYYQQOMOLOXKSB-UHFFFAOYSA-N 0 0 291.372 3.233 20 10 CGCDRN CC[C@H]([NH2+]CCc1cscn1)c1ccc(F)cc1[O-] ZINC000796797705 620150383 /nfs/dbraw/zinc/15/03/83/620150383.db2.gz MYDPNHUBNCIZAK-ZDUSSCGKSA-N 0 0 280.368 3.271 20 10 CGCDRN C/C(=C/c1ccc(N(C)C)cc1C)c1cnccn1 ZINC000840720055 620189431 /nfs/dbraw/zinc/18/94/31/620189431.db2.gz LASUERDEEROULK-LCYFTJDESA-N 0 0 253.349 3.412 20 10 CGCDRN Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744142 620345625 /nfs/dbraw/zinc/34/56/25/620345625.db2.gz FLKFAHJVHKZBPR-LLVKDONJSA-N 0 0 293.798 3.361 20 10 CGCDRN CC(=O)Nc1ccc(Sc2ncc([N+](=O)[O-])s2)cc1 ZINC000001565821 620401470 /nfs/dbraw/zinc/40/14/70/620401470.db2.gz XEMXJYUDIHXLGF-UHFFFAOYSA-N 0 0 295.345 3.161 20 10 CGCDRN C[C@@H]1CC2(CC([NH2+]Cc3cccc(Cl)c3[O-])C2)CO1 ZINC000897778583 620429664 /nfs/dbraw/zinc/42/96/64/620429664.db2.gz IBWZSSHCSIQNBD-CKQAKLJMSA-N 0 0 281.783 3.093 20 10 CGCDRN Cc1ccc(CNc2ccc([C@H](C)CC(N)=O)cc2)c(O)c1 ZINC000897839500 620437882 /nfs/dbraw/zinc/43/78/82/620437882.db2.gz ZRZUHHFTXFPACK-CYBMUJFWSA-N 0 0 298.386 3.292 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2cccnc21 ZINC000898215013 620488850 /nfs/dbraw/zinc/48/88/50/620488850.db2.gz JBYRMFAVIPXZOI-ZDUSSCGKSA-N 0 0 274.751 3.218 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000898260523 620500351 /nfs/dbraw/zinc/50/03/51/620500351.db2.gz GNJNXLDYJSAQRT-OASPWFOLSA-N 0 0 294.782 3.033 20 10 CGCDRN O=C(CSc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000040677236 620543519 /nfs/dbraw/zinc/54/35/19/620543519.db2.gz JRTYYMOGSZTJAF-UHFFFAOYSA-N 0 0 280.330 3.026 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(F)cc1[O-] ZINC000927016050 620561487 /nfs/dbraw/zinc/56/14/87/620561487.db2.gz DXQILBGHDCQTCS-ABAIWWIYSA-N 0 0 267.344 3.141 20 10 CGCDRN CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000927139331 620599570 /nfs/dbraw/zinc/59/95/70/620599570.db2.gz KASXMTCUNAYEEI-VIFPVBQESA-N 0 0 278.327 3.241 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC/C=C/Cl ZINC000899052776 620617709 /nfs/dbraw/zinc/61/77/09/620617709.db2.gz MOTGXUSKNRAQPJ-VMPITWQZSA-N 0 0 282.771 3.066 20 10 CGCDRN CC1(C)C[C@]1(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000899203184 620625259 /nfs/dbraw/zinc/62/52/59/620625259.db2.gz JGIWSJSEIMCONH-OAHLLOKOSA-N 0 0 288.351 3.015 20 10 CGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185835886 625463282 /nfs/dbraw/zinc/46/32/82/625463282.db2.gz VJKNOLVADFGLAO-ZETOZRRWSA-N 0 0 293.338 3.287 20 10 CGCDRN CSc1ccccc1NC(=O)c1ccc(C)c(O)c1O ZINC000179406216 621178004 /nfs/dbraw/zinc/17/80/04/621178004.db2.gz UXXHNBXRPZNUKL-UHFFFAOYSA-N 0 0 289.356 3.380 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1cc(C)cn(C)c1=O ZINC000902257349 621211525 /nfs/dbraw/zinc/21/15/25/621211525.db2.gz YWNPWXFTDYGLCZ-UHFFFAOYSA-N 0 0 295.386 3.106 20 10 CGCDRN Oc1cccc2c1[C@H](N[C@@H]1c3ccccc3OC[C@H]1F)CC2 ZINC000903266695 621653978 /nfs/dbraw/zinc/65/39/78/621653978.db2.gz UWWRDTLEKOAXDN-HBUWYVDXSA-N 0 0 299.345 3.441 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000903393557 621718492 /nfs/dbraw/zinc/71/84/92/621718492.db2.gz PIPPBRPRORMIGR-TVYUQYBPSA-N 0 0 269.772 3.121 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCSC[C@H]2C2CC2)cc1 ZINC000904501128 621927713 /nfs/dbraw/zinc/92/77/13/621927713.db2.gz SJESXKNUVVTIFT-AWEZNQCLSA-N 0 0 291.420 3.018 20 10 CGCDRN CCCCCC(C)(C)C(=O)NCc1ccc(O)cc1O ZINC000910951855 622509777 /nfs/dbraw/zinc/50/97/77/622509777.db2.gz WNQQWNPNPOMVPD-UHFFFAOYSA-N 0 0 279.380 3.321 20 10 CGCDRN O=C(CCC1CCCCC1)NCc1ccc(O)cc1O ZINC000910956880 622509819 /nfs/dbraw/zinc/50/98/19/622509819.db2.gz HYWIZVLYXCWPGQ-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN O=C(CCSc1nccs1)NCc1ccc(F)cc1 ZINC000150979059 622711792 /nfs/dbraw/zinc/71/17/92/622711792.db2.gz MKJBPUJLSXUYGD-UHFFFAOYSA-N 0 0 296.392 3.081 20 10 CGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N(C1CC1)C1CC1 ZINC000913013875 622726009 /nfs/dbraw/zinc/72/60/09/622726009.db2.gz YJLDGXWGNKZDPV-UHFFFAOYSA-N 0 0 289.356 3.080 20 10 CGCDRN C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1F ZINC000816564989 625596476 /nfs/dbraw/zinc/59/64/76/625596476.db2.gz XMLQHTKSZGEGQT-UFBFGSQYSA-N 0 0 275.726 3.365 20 10 CGCDRN COCCN(Cc1cc(C)cc(C)c1O)CC(F)(F)F ZINC000164221552 622821156 /nfs/dbraw/zinc/82/11/56/622821156.db2.gz AYRLSHIOPWSSRK-UHFFFAOYSA-N 0 0 291.313 3.020 20 10 CGCDRN CC(=O)Nc1ccc(C)c(NCc2cc(F)ccc2O)c1 ZINC000226580399 622983010 /nfs/dbraw/zinc/98/30/10/622983010.db2.gz ARJIHBDPFDXRDV-UHFFFAOYSA-N 0 0 288.322 3.410 20 10 CGCDRN COCc1cccc(NCc2cc(F)ccc2O)c1 ZINC000226580726 622984392 /nfs/dbraw/zinc/98/43/92/622984392.db2.gz XIXDVKFPFXOIGG-UHFFFAOYSA-N 0 0 261.296 3.290 20 10 CGCDRN C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817977875 625630925 /nfs/dbraw/zinc/63/09/25/625630925.db2.gz QXHHCQXFSOESFY-FXQIFTODSA-N 0 0 277.195 3.085 20 10 CGCDRN CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N(C)C ZINC000062745404 623264985 /nfs/dbraw/zinc/26/49/85/623264985.db2.gz UNCIAYSXDASZMA-JSGCOSHPSA-N 0 0 282.403 3.158 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2cccc3cc[nH]c32)cc1 ZINC000172979204 623303567 /nfs/dbraw/zinc/30/35/67/623303567.db2.gz VOXGFGYHOLLQPP-UHFFFAOYSA-N 0 0 293.370 3.164 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CC(C)C)OC ZINC000841405395 623466180 /nfs/dbraw/zinc/46/61/80/623466180.db2.gz SDCNSOFWQCVGEO-MRXNPFEDSA-N 0 0 293.407 3.192 20 10 CGCDRN CCC(CC)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174680237 623476108 /nfs/dbraw/zinc/47/61/08/623476108.db2.gz FTXGWFXRYZVESE-UHFFFAOYSA-N 0 0 290.407 3.259 20 10 CGCDRN c1cnnc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000174705718 623512284 /nfs/dbraw/zinc/51/22/84/623512284.db2.gz GWJLFBFSMSJHPF-UHFFFAOYSA-N 0 0 268.364 3.079 20 10 CGCDRN CCN(CC)c1ccc(CNc2cnn(C)c2)cc1F ZINC000152149949 623625486 /nfs/dbraw/zinc/62/54/86/623625486.db2.gz JMRAFBUATMBJQA-UHFFFAOYSA-N 0 0 276.359 3.018 20 10 CGCDRN CC(C)[C@@H](C)[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000915208475 623917794 /nfs/dbraw/zinc/91/77/94/623917794.db2.gz NQUZCGCLMRFQTE-GFCCVEGCSA-N 0 0 258.365 3.417 20 10 CGCDRN Cc1cccc(CN2CCc3c2cccc3F)c1O ZINC000764677298 623932314 /nfs/dbraw/zinc/93/23/14/623932314.db2.gz IBZRNDZUJJQSMC-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(F)ccc1O)N2 ZINC000153685312 624018209 /nfs/dbraw/zinc/01/82/09/624018209.db2.gz YYHVCJHXHRUDCM-OAHLLOKOSA-N 0 0 286.306 3.036 20 10 CGCDRN Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000917716139 624306995 /nfs/dbraw/zinc/30/69/95/624306995.db2.gz QJZJYFNTJBUKPZ-ZHACJKMWSA-N 0 0 289.356 3.113 20 10 CGCDRN C[C@@H]1CC[C@H](C)N1C(=O)NCCCSc1nccs1 ZINC000154608536 624325651 /nfs/dbraw/zinc/32/56/51/624325651.db2.gz PZSYTLOVMCCMDJ-PHIMTYICSA-N 0 0 299.465 3.208 20 10 CGCDRN O=C(CSc1ncc(Cl)s1)C1(Cl)CC1 ZINC000918096858 624333295 /nfs/dbraw/zinc/33/32/95/624333295.db2.gz YSZNECSOBNLWSZ-UHFFFAOYSA-N 0 0 268.190 3.229 20 10 CGCDRN COc1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC000180759974 624769945 /nfs/dbraw/zinc/76/99/45/624769945.db2.gz PQNMXFVAPUYVHM-UHFFFAOYSA-N 0 0 271.316 3.060 20 10 CGCDRN COc1ccc(N(C)Cc2cnn3ccccc23)cc1F ZINC000180774364 624771225 /nfs/dbraw/zinc/77/12/25/624771225.db2.gz AXUBNVDHGNDKAA-UHFFFAOYSA-N 0 0 285.322 3.118 20 10 CGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2nccn2C)cc1 ZINC000182501437 625006569 /nfs/dbraw/zinc/00/65/69/625006569.db2.gz IOBHVQSBZYLRKQ-AWEZNQCLSA-N 0 0 286.423 3.117 20 10 CGCDRN CC(C)CN(CC(C)C)C(=O)CSc1nccs1 ZINC000071972722 625214658 /nfs/dbraw/zinc/21/46/58/625214658.db2.gz ZYVCHOMVWUKYBD-UHFFFAOYSA-N 0 0 286.466 3.376 20 10 CGCDRN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nccs1 ZINC000072016375 625219859 /nfs/dbraw/zinc/21/98/59/625219859.db2.gz HCZLSULQOYPNRQ-QWRGUYRKSA-N 0 0 284.450 3.415 20 10 CGCDRN Cc1cccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000085204642 625802266 /nfs/dbraw/zinc/80/22/66/625802266.db2.gz ACBUKTGAORKGCB-UHFFFAOYSA-N 0 0 297.763 3.155 20 10 CGCDRN C[C@H]1C[C@@H](NCc2ccc3c(c2)CCCO3)c2nccn21 ZINC000922163424 625977575 /nfs/dbraw/zinc/97/75/75/625977575.db2.gz ACBQIOIYBXIBDS-SWLSCSKDSA-N 0 0 283.375 3.004 20 10 CGCDRN CN(Cc1coc(C(C)(C)C)n1)c1ccc(N)cc1 ZINC000923399217 626151177 /nfs/dbraw/zinc/15/11/77/626151177.db2.gz BUNJYSPXRWRBOI-UHFFFAOYSA-N 0 0 259.353 3.191 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C12CCC2 ZINC000840807628 626178936 /nfs/dbraw/zinc/17/89/36/626178936.db2.gz WUDKQEDKXZHLDP-OWYVNGRQSA-N 0 0 297.345 3.279 20 10 CGCDRN CSc1ccccc1NC(=O)c1cccc(O)c1O ZINC000188112262 626182374 /nfs/dbraw/zinc/18/23/74/626182374.db2.gz ODNNHEHQJXUQRN-UHFFFAOYSA-N 0 0 275.329 3.072 20 10 CGCDRN C[C@H](NC(=O)N1CC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000838559997 626237033 /nfs/dbraw/zinc/23/70/33/626237033.db2.gz SAZVPCNZYLASMV-BLLLJJGKSA-N 0 0 287.407 3.008 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccc(F)cc1[O-] ZINC000840795171 626251773 /nfs/dbraw/zinc/25/17/73/626251773.db2.gz VIVRCCFAFKJMPH-CYBMUJFWSA-N 0 0 264.300 3.069 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc2c(n1)CCC2 ZINC000838780762 626252393 /nfs/dbraw/zinc/25/23/93/626252393.db2.gz FTEXOYFUFSDUIH-UHFFFAOYSA-N 0 0 280.371 3.142 20 10 CGCDRN Oc1c(CN2CC(OCC(F)F)C2)ccc2ccccc21 ZINC000839138751 626322459 /nfs/dbraw/zinc/32/24/59/626322459.db2.gz TYMZVZCVHABFSO-UHFFFAOYSA-N 0 0 293.313 3.011 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C12CCC2 ZINC000839180371 626326458 /nfs/dbraw/zinc/32/64/58/626326458.db2.gz CLEAVHISBRNRHJ-QWHCGFSZSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CSCCS1)c1c([O-])cccc1F ZINC000886536855 626362138 /nfs/dbraw/zinc/36/21/38/626362138.db2.gz POPFCRXGXMUQKZ-UWVGGRQHSA-N 0 0 287.425 3.031 20 10 CGCDRN CCC(CC)CN(CC)C(=O)c1ccc(C)c(O)c1O ZINC000751534289 626394875 /nfs/dbraw/zinc/39/48/75/626394875.db2.gz UEKFWBJUJKQKLI-UHFFFAOYSA-N 0 0 279.380 3.305 20 10 CGCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)c(O)c1O ZINC000751538259 626395565 /nfs/dbraw/zinc/39/55/65/626395565.db2.gz NNHMEKJAZKXNMT-XHDPSFHLSA-N 0 0 297.354 3.070 20 10 CGCDRN CCCCCNC(=O)NCCCSc1nccs1 ZINC000753346263 626450432 /nfs/dbraw/zinc/45/04/32/626450432.db2.gz WBGPMKJIFCNBCQ-UHFFFAOYSA-N 0 0 287.454 3.115 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2(C3CC3)CC2)c1[O-] ZINC000754359363 626569223 /nfs/dbraw/zinc/56/92/23/626569223.db2.gz VHEUUSPWPWJRFZ-UHFFFAOYSA-N 0 0 279.767 3.280 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756344202 626693799 /nfs/dbraw/zinc/69/37/99/626693799.db2.gz SEHNZCSTVSNIQN-NXEZZACHSA-N 0 0 278.302 3.477 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756382211 626698822 /nfs/dbraw/zinc/69/88/22/626698822.db2.gz AIXHGFTZTKBMDJ-SNVBAGLBSA-N 0 0 290.294 3.290 20 10 CGCDRN C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756401497 626701609 /nfs/dbraw/zinc/70/16/09/626701609.db2.gz POALPYJQHHTZIQ-NEPJUHHUSA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000756556986 626714743 /nfs/dbraw/zinc/71/47/43/626714743.db2.gz ZAJPOHGPRSBOEQ-IHRRRGAJSA-N 0 0 294.414 3.445 20 10 CGCDRN Cc1cnccc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756770298 626730417 /nfs/dbraw/zinc/73/04/17/626730417.db2.gz WJQDSAVFQCEJQB-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN CC(C)c1nnc([C@@H](C)N[C@@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756776773 626731557 /nfs/dbraw/zinc/73/15/57/626731557.db2.gz DDGCOQYLBSNDFQ-VHSXEESVSA-N 0 0 292.358 3.185 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000756790718 626732525 /nfs/dbraw/zinc/73/25/25/626732525.db2.gz OPUQDHILERUJHP-KTJYFRGRSA-N 0 0 281.371 3.241 20 10 CGCDRN CC(C)Cc1c[nH]c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000839541561 626760989 /nfs/dbraw/zinc/76/09/89/626760989.db2.gz FRJGZFZOIYWVAW-UHFFFAOYSA-N 0 0 286.375 3.191 20 10 CGCDRN CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000806141285 626766796 /nfs/dbraw/zinc/76/67/96/626766796.db2.gz HUOTXBBUGZXIEB-DOMZBBRYSA-N 0 0 296.842 3.428 20 10 CGCDRN Cc1nnc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000757637208 626796201 /nfs/dbraw/zinc/79/62/01/626796201.db2.gz GJDFLDVKBSJNEQ-OIBJUYFYSA-N 0 0 293.367 3.029 20 10 CGCDRN COc1cccc(COc2ccc(N(C)C)cc2)c1 ZINC000757716623 626804001 /nfs/dbraw/zinc/80/40/01/626804001.db2.gz CPFHUCGHXJYITR-UHFFFAOYSA-N 0 0 257.333 3.340 20 10 CGCDRN CSc1ccccc1COC(=O)c1cccc(O)c1O ZINC000758547372 626849012 /nfs/dbraw/zinc/84/90/12/626849012.db2.gz KHVHRKXNBZEOCF-UHFFFAOYSA-N 0 0 290.340 3.177 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CC(F)(F)C1 ZINC000758599630 626850285 /nfs/dbraw/zinc/85/02/85/626850285.db2.gz MAQDINROGLIAFC-UHFFFAOYSA-N 0 0 265.662 3.072 20 10 CGCDRN C[C@@H]1C[C@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000759602455 626908569 /nfs/dbraw/zinc/90/85/69/626908569.db2.gz VHPQAWOBHUXNCF-WDEREUQCSA-N 0 0 299.465 3.065 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCCOC2)cc1 ZINC000759914118 626930472 /nfs/dbraw/zinc/93/04/72/626930472.db2.gz IBMWLFOLQFLYCE-CQSZACIVSA-N 0 0 263.381 3.337 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000759932311 626931951 /nfs/dbraw/zinc/93/19/51/626931951.db2.gz BKHVLDMMXBNBNA-CJNGLKHVSA-N 0 0 263.381 3.478 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(O)c2)cc1OC ZINC000761222846 627026105 /nfs/dbraw/zinc/02/61/05/627026105.db2.gz SJKJGPJUNJENRW-UHFFFAOYSA-N 0 0 273.332 3.046 20 10 CGCDRN c1ccn(-c2ccc(-c3nc(Cc4ccon4)no3)cc2)c1 ZINC000762104386 627089651 /nfs/dbraw/zinc/08/96/51/627089651.db2.gz ZOTQGQHCQDTVSG-UHFFFAOYSA-N 0 0 292.298 3.106 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(C3CC3)nn2)cc1F ZINC000762653417 627119092 /nfs/dbraw/zinc/11/90/92/627119092.db2.gz YKAXOLBXGVAQME-UHFFFAOYSA-N 0 0 286.354 3.171 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCc3c2cccc3F)cn1 ZINC000763750939 627175915 /nfs/dbraw/zinc/17/59/15/627175915.db2.gz UHYVNEQLYGEMJF-BQYQJAHWSA-N 0 0 282.318 3.132 20 10 CGCDRN CC(C)c1ccc(N(C)C(=O)/C=C\c2cnccn2)cc1 ZINC000763755124 627176637 /nfs/dbraw/zinc/17/66/37/627176637.db2.gz NIIWMKCWVKGCJX-TWGQIWQCSA-N 0 0 281.359 3.276 20 10 CGCDRN COc1ccc(N(CC(C)C)C[C@@H](O)C(F)(F)F)cc1 ZINC000763839295 627180260 /nfs/dbraw/zinc/18/02/60/627180260.db2.gz DEOQIDGIOGKPKL-CYBMUJFWSA-N 0 0 291.313 3.081 20 10 CGCDRN O=C(Nc1c[nH]nc1-c1ccccc1)C1=CC(=O)CS1 ZINC000764875283 627231286 /nfs/dbraw/zinc/23/12/86/627231286.db2.gz HEKNRTYQIFQMJG-UHFFFAOYSA-N 0 0 285.328 3.096 20 10 CGCDRN Cc1ccc(O)c(CNc2nc3ccc(F)cc3n2C)c1 ZINC000766520499 627340492 /nfs/dbraw/zinc/34/04/92/627340492.db2.gz MYYITEGEEIHPLH-UHFFFAOYSA-N 0 0 285.322 3.339 20 10 CGCDRN CC/C=C/CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000767578018 627418191 /nfs/dbraw/zinc/41/81/91/627418191.db2.gz USUBRNCBCNURID-DQTVNRMBSA-N 0 0 262.305 3.011 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)oc1C ZINC000767869817 627440197 /nfs/dbraw/zinc/44/01/97/627440197.db2.gz OMVVLISYPCXMQS-UHFFFAOYSA-N 0 0 298.386 3.427 20 10 CGCDRN CC(C)(C(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000769000116 627514656 /nfs/dbraw/zinc/51/46/56/627514656.db2.gz BZXKMYYZRXJZBB-UHFFFAOYSA-N 0 0 287.334 3.125 20 10 CGCDRN CCN(CC)c1ccc(CN2CCO[C@H](C)[C@@H]2C)cc1F ZINC000769422498 627551048 /nfs/dbraw/zinc/55/10/48/627551048.db2.gz JRAXDFIIJDPNAS-UONOGXRCSA-N 0 0 294.414 3.281 20 10 CGCDRN COc1cccc(NCc2c(O)cccc2OC)c1F ZINC000769928871 627590452 /nfs/dbraw/zinc/59/04/52/627590452.db2.gz DDMAHUWJSGDBII-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000770506226 627623159 /nfs/dbraw/zinc/62/31/59/627623159.db2.gz ZNHMRJKMHOALJP-SCLBCKFNSA-N 0 0 283.371 3.216 20 10 CGCDRN CC(C)OCCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773006699 627840644 /nfs/dbraw/zinc/84/06/44/627840644.db2.gz FFMIFSJRCWWIFW-CQSZACIVSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@H](NC(=O)C[C@H](C)n1cccc1)c1ccc(N(C)C)cc1 ZINC000773015410 627842575 /nfs/dbraw/zinc/84/25/75/627842575.db2.gz OFHFELTVFRKDRT-GJZGRUSLSA-N 0 0 299.418 3.383 20 10 CGCDRN COc1ccccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773018729 627843196 /nfs/dbraw/zinc/84/31/96/627843196.db2.gz XCPFBCSCDFXOID-CYBMUJFWSA-N 0 0 298.386 3.252 20 10 CGCDRN CC(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017187 627843321 /nfs/dbraw/zinc/84/33/21/627843321.db2.gz UPZJIPXLFREDEW-OLZOCXBDSA-N 0 0 262.397 3.222 20 10 CGCDRN CC1=C(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000773020044 627843341 /nfs/dbraw/zinc/84/33/41/627843341.db2.gz MQGZISKYGSHBBU-ZDUSSCGKSA-N 0 0 272.392 3.430 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C\c1cncc(C)c1 ZINC000773380539 627877429 /nfs/dbraw/zinc/87/74/29/627877429.db2.gz VGIGWXDBJSJXBI-XQRVVYSFSA-N 0 0 278.355 3.301 20 10 CGCDRN Cc1cc2ccc(C(=O)N(C)Cc3ccccc3O)cn2c1 ZINC000774044528 627940104 /nfs/dbraw/zinc/94/01/04/627940104.db2.gz RQIZBWGJQWLKEY-UHFFFAOYSA-N 0 0 294.354 3.226 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CC23CCC3)c(C)n1-c1ccccn1 ZINC000874788708 634616771 /nfs/dbraw/zinc/61/67/71/634616771.db2.gz SZIPGJMMLJNPSK-HNNXBMFYSA-N 0 0 295.386 3.162 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000775412301 628092344 /nfs/dbraw/zinc/09/23/44/628092344.db2.gz WIIQZMIPGPFHJL-LBPRGKRZSA-N 0 0 285.391 3.189 20 10 CGCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775716370 628127354 /nfs/dbraw/zinc/12/73/54/628127354.db2.gz VGYWPIXSBQIRRC-RKDXNWHRSA-N 0 0 257.736 3.415 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]1C(C)C ZINC000776045990 628161035 /nfs/dbraw/zinc/16/10/35/628161035.db2.gz VYTMRJLVIQPFRN-MRXNPFEDSA-N 0 0 289.423 3.001 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccnc1 ZINC000776174200 628175853 /nfs/dbraw/zinc/17/58/53/628175853.db2.gz KOQMXTSYFXWMCD-VIFPVBQESA-N 0 0 280.730 3.431 20 10 CGCDRN COCCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776231925 628182950 /nfs/dbraw/zinc/18/29/50/628182950.db2.gz QJWRAPBVKMVSED-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000776252493 628184624 /nfs/dbraw/zinc/18/46/24/628184624.db2.gz BRGVSBIEGUMVFJ-NEPJUHHUSA-N 0 0 269.772 3.093 20 10 CGCDRN Oc1cccc(Cl)c1CNc1nnc(-c2ccco2)o1 ZINC000777504583 628276486 /nfs/dbraw/zinc/27/64/86/628276486.db2.gz CHOQVNNVNIPCKJ-UHFFFAOYSA-N 0 0 291.694 3.301 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC(=O)c1cc(C)[nH]c1C ZINC000777554997 628283227 /nfs/dbraw/zinc/28/32/27/628283227.db2.gz QTUAOXKTYCXDBM-UHFFFAOYSA-N 0 0 298.386 3.276 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(F)cc(F)c1[O-] ZINC000779079097 628387212 /nfs/dbraw/zinc/38/72/12/628387212.db2.gz LTKQPUPROFKNOF-KOLCDFICSA-N 0 0 285.334 3.279 20 10 CGCDRN Cc1ccccc1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779489041 628415623 /nfs/dbraw/zinc/41/56/23/628415623.db2.gz MRJWSSGVAMRXBD-CSKARUKUSA-N 0 0 297.354 3.078 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000780482754 628492492 /nfs/dbraw/zinc/49/24/92/628492492.db2.gz KGZGYMFUQRDPBV-ZBFHGGJFSA-N 0 0 299.418 3.051 20 10 CGCDRN Cc1cc(C(=O)O[C@@H]2C=CCC2)c(C)n1-c1ccccn1 ZINC000780564047 628501399 /nfs/dbraw/zinc/50/13/99/628501399.db2.gz WWBUEMOPCKXMLT-CQSZACIVSA-N 0 0 282.343 3.365 20 10 CGCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(C)c(O)c1O ZINC000780906263 628523522 /nfs/dbraw/zinc/52/35/22/628523522.db2.gz CIZXYFRVAFYPBW-HNNXBMFYSA-N 0 0 297.354 3.132 20 10 CGCDRN CC[C@@H](O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781963029 628607942 /nfs/dbraw/zinc/60/79/42/628607942.db2.gz GVLGHUUMCHGLKB-QGZVFWFLSA-N 0 0 285.387 3.473 20 10 CGCDRN Cn1nc(C2CCCC2)cc1NC(=O)C1=CC(=O)CS1 ZINC000782132721 628617212 /nfs/dbraw/zinc/61/72/12/628617212.db2.gz PCQAQVUICKOFKG-UHFFFAOYSA-N 0 0 291.376 3.097 20 10 CGCDRN CC[C@@H](N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000783520899 628720868 /nfs/dbraw/zinc/72/08/68/628720868.db2.gz SXEFIEDOGYEYTM-DGCLKSJQSA-N 0 0 279.380 3.163 20 10 CGCDRN C[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccccc1O ZINC000783523307 628721627 /nfs/dbraw/zinc/72/16/27/628721627.db2.gz HQNUMZYUXNPRER-GFCCVEGCSA-N 0 0 280.331 3.146 20 10 CGCDRN C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccccc1O ZINC000783529917 628722460 /nfs/dbraw/zinc/72/24/60/628722460.db2.gz ZSGDSOKKPISRKC-GFCCVEGCSA-N 0 0 294.358 3.028 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccccc1 ZINC000783754265 628744968 /nfs/dbraw/zinc/74/49/68/628744968.db2.gz CQZLFFJJVFTBDT-KTKRTIGZSA-N 0 0 266.344 3.456 20 10 CGCDRN CC(C)C(C)(C)C(=O)NCCCSc1nccs1 ZINC000784410796 628812776 /nfs/dbraw/zinc/81/27/76/628812776.db2.gz NBSQOZZRWMRGQL-UHFFFAOYSA-N 0 0 286.466 3.424 20 10 CGCDRN Cc1ccccc1[C@@H](C)OC(=O)c1cccc(O)c1O ZINC000784798184 628833377 /nfs/dbraw/zinc/83/33/77/628833377.db2.gz LBZPAHSOFDZCHJ-LLVKDONJSA-N 0 0 272.300 3.324 20 10 CGCDRN CC1(C)CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000785635730 628876425 /nfs/dbraw/zinc/87/64/25/628876425.db2.gz XRNYMBAEIUSKLP-WOLRVDTOSA-N 0 0 289.375 3.196 20 10 CGCDRN CCOc1ccc(CNc2cccc(Cl)n2)c(O)c1 ZINC000785723750 628882885 /nfs/dbraw/zinc/88/28/85/628882885.db2.gz XBLWACRXMPZMNY-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN CN(Cc1ccccc1O)c1cncc(-c2ccccc2)n1 ZINC000786794236 628963781 /nfs/dbraw/zinc/96/37/81/628963781.db2.gz YRIHBCIMGLKCFH-UHFFFAOYSA-N 0 0 291.354 3.486 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c(C)n1-c1ccccn1 ZINC000787720853 629024945 /nfs/dbraw/zinc/02/49/45/629024945.db2.gz LWUUDCGPXMJQGX-XOIINTDNSA-N 0 0 295.386 3.017 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC(F)(F)C1 ZINC000787726673 629025281 /nfs/dbraw/zinc/02/52/81/629025281.db2.gz BIIRKWRITFGGNY-GFCCVEGCSA-N 0 0 296.361 3.387 20 10 CGCDRN CN(C)C(=O)c1cccc(COc2ccc(N(C)C)cc2)c1 ZINC000787906039 629034403 /nfs/dbraw/zinc/03/44/03/629034403.db2.gz LBUAXENARGGIQE-UHFFFAOYSA-N 0 0 298.386 3.033 20 10 CGCDRN CCOc1ccc(N(C)Cc2cnc(Cl)cn2)cc1 ZINC000788481731 629058275 /nfs/dbraw/zinc/05/82/75/629058275.db2.gz SCNLOCBXOWVAFW-UHFFFAOYSA-N 0 0 277.755 3.165 20 10 CGCDRN C[C@@H]([NH2+]CCF)c1cccc(C(F)(F)F)c1[O-] ZINC000788801027 629082827 /nfs/dbraw/zinc/08/28/27/629082827.db2.gz KJHHVKGFSFUBRR-SSDOTTSWSA-N 0 0 251.223 3.031 20 10 CGCDRN CCN(CC)c1ccc(CNCC(F)(F)F)cc1F ZINC000789563315 629145281 /nfs/dbraw/zinc/14/52/81/629145281.db2.gz QBLJAYCIYSTKCS-UHFFFAOYSA-N 0 0 278.293 3.324 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(F)cc1[O-] ZINC000790499703 629214318 /nfs/dbraw/zinc/21/43/18/629214318.db2.gz ZAXZQQJDDRQJSB-WBMJQRKESA-N 0 0 294.414 3.302 20 10 CGCDRN CCCN(CC)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790970691 629244043 /nfs/dbraw/zinc/24/40/43/629244043.db2.gz NMLRYCJRTPLEGP-UHFFFAOYSA-N 0 0 288.794 3.006 20 10 CGCDRN CCc1nn(C)cc1NCc1c(O)ccc(Cl)c1F ZINC000790981415 629245800 /nfs/dbraw/zinc/24/58/00/629245800.db2.gz KWJMESNYUMRIJD-UHFFFAOYSA-N 0 0 283.734 3.093 20 10 CGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccc[nH]1 ZINC000790981166 629245918 /nfs/dbraw/zinc/24/59/18/629245918.db2.gz SMZGSSLSKAJXAM-MRVPVSSYSA-N 0 0 268.719 3.364 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1Cc2ccccc2C1 ZINC000790985745 629247002 /nfs/dbraw/zinc/24/70/02/629247002.db2.gz BHLBCQLDAXZLTI-UHFFFAOYSA-N 0 0 291.753 3.442 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(C3CC3)cc2)c(O)c1O ZINC000791183845 629259254 /nfs/dbraw/zinc/25/92/54/629259254.db2.gz NKDKSMBNMNUOOU-UHFFFAOYSA-N 0 0 297.354 3.214 20 10 CGCDRN CC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792157557 629341704 /nfs/dbraw/zinc/34/17/04/629341704.db2.gz YMGOYRLDAYCUGP-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN CC1=CC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166159 629342484 /nfs/dbraw/zinc/34/24/84/629342484.db2.gz PPFOLSJBUYSCKK-UHFFFAOYSA-N 0 0 255.720 3.337 20 10 CGCDRN CN(C)c1cc(F)c(CN(C)Cc2ccccn2)cc1F ZINC000862324368 629343554 /nfs/dbraw/zinc/34/35/54/629343554.db2.gz KVDWNWZDKIIYPN-UHFFFAOYSA-N 0 0 291.345 3.058 20 10 CGCDRN O=C(NCc1ccc(C2CC2)cc1)C1=CC(=O)CS1 ZINC000792515335 629362609 /nfs/dbraw/zinc/36/26/09/629362609.db2.gz PWULSMQYCRIVLP-UHFFFAOYSA-N 0 0 273.357 3.261 20 10 CGCDRN CC(C)O[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862398504 629362880 /nfs/dbraw/zinc/36/28/80/629362880.db2.gz KQXOMUGGQNTXJW-CYBMUJFWSA-N 0 0 298.377 3.030 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000862755403 629429826 /nfs/dbraw/zinc/42/98/26/629429826.db2.gz SALLXGIIFQCBCR-MGPQQGTHSA-N 0 0 275.392 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C23CC(C(F)(F)F)(C2)C3)c1 ZINC000862757105 629429931 /nfs/dbraw/zinc/42/99/31/629429931.db2.gz HQTCQCPNLLOCHI-UHFFFAOYSA-N 0 0 299.292 3.049 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc3c(s2)CCC3)c1 ZINC000862759640 629430661 /nfs/dbraw/zinc/43/06/61/629430661.db2.gz IVVXFCHPEIAYEI-UHFFFAOYSA-N 0 0 287.384 3.181 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2csc(C(C)C)n2)c1 ZINC000862758865 629430966 /nfs/dbraw/zinc/43/09/66/629430966.db2.gz OSGKCVDLKWRYIA-UHFFFAOYSA-N 0 0 290.388 3.211 20 10 CGCDRN CCCOc1cccc(C(=O)NCc2cc(C)ccc2O)c1 ZINC000862758929 629431006 /nfs/dbraw/zinc/43/10/06/629431006.db2.gz QPKUMZUKNIXRGT-UHFFFAOYSA-N 0 0 299.370 3.419 20 10 CGCDRN COc1cccc(Nc2ccc(NC[C@@H](C)O)cc2)c1 ZINC000863566959 629605784 /nfs/dbraw/zinc/60/57/84/629605784.db2.gz ADHCAAPRZRLOPS-GFCCVEGCSA-N 0 0 272.348 3.232 20 10 CGCDRN CO[C@@H](C)c1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000863558511 629607065 /nfs/dbraw/zinc/60/70/65/629607065.db2.gz LSUQFNPGEQWRLF-JTQLQIEISA-N 0 0 277.393 3.069 20 10 CGCDRN CN(Cc1cc(C(C)(C)C)on1)c1ccc(N)cc1 ZINC000863558706 629607103 /nfs/dbraw/zinc/60/71/03/629607103.db2.gz UGJJEPDJVWYNGO-UHFFFAOYSA-N 0 0 259.353 3.191 20 10 CGCDRN C/C=C\C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000863816144 629677693 /nfs/dbraw/zinc/67/76/93/629677693.db2.gz AVDSDXAMANNXJU-OTDNITJGSA-N 0 0 265.378 3.272 20 10 CGCDRN C/C=C\C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000863945045 629703643 /nfs/dbraw/zinc/70/36/43/629703643.db2.gz WAUZIIWAOQDPDN-QUCGXOGASA-N 0 0 293.338 3.055 20 10 CGCDRN C/C=C/C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000863945043 629704099 /nfs/dbraw/zinc/70/40/99/629704099.db2.gz WAUZIIWAOQDPDN-KXMPLOMGSA-N 0 0 293.338 3.055 20 10 CGCDRN COc1ccc(O)c(CNc2cc(F)cc(N(C)C)c2)c1 ZINC000864016844 629727635 /nfs/dbraw/zinc/72/76/35/629727635.db2.gz UEFFPPFOZNMHRD-UHFFFAOYSA-N 0 0 290.338 3.218 20 10 CGCDRN C[C@H](Nc1cccc(-n2nccn2)c1)c1ccccc1O ZINC000864021599 629729525 /nfs/dbraw/zinc/72/95/25/629729525.db2.gz DZGCJOFSICPMCG-LBPRGKRZSA-N 0 0 280.331 3.146 20 10 CGCDRN CNC(=O)c1ccc(CNc2ccccc2NC(C)C)cc1 ZINC000864041766 629735251 /nfs/dbraw/zinc/73/52/51/629735251.db2.gz QACCRZGUYPAUQE-UHFFFAOYSA-N 0 0 297.402 3.479 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)ccc(F)c1F ZINC000864052316 629746571 /nfs/dbraw/zinc/74/65/71/629746571.db2.gz HUONSUYKIOWNGH-HIFRSBDPSA-N 0 0 297.345 3.108 20 10 CGCDRN CON(Cc1ccc(N(C)C)cc1)CC(C)(C)C ZINC000796471502 629784101 /nfs/dbraw/zinc/78/41/01/629784101.db2.gz MHAKCTOTVLLVKR-UHFFFAOYSA-N 0 0 250.386 3.162 20 10 CGCDRN Cc1scc(/C=C2/SC(=S)N(C)C2=O)c1C ZINC000864355985 629818762 /nfs/dbraw/zinc/81/87/62/629818762.db2.gz LELHRCWIVYWCPF-RUDMXATFSA-N 0 0 269.416 3.196 20 10 CGCDRN CCCCOCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796726674 629820734 /nfs/dbraw/zinc/82/07/34/629820734.db2.gz YJIPXNKZHYNGQD-AWEZNQCLSA-N 0 0 269.360 3.389 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cscn1)c1ccc(F)cc1[O-] ZINC000796736263 629823385 /nfs/dbraw/zinc/82/33/85/629823385.db2.gz CRNKPKHFEGBARK-GFCCVEGCSA-N 0 0 266.341 3.229 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1[O-] ZINC000796799434 629835974 /nfs/dbraw/zinc/83/59/74/629835974.db2.gz UIRIASIYXKPVEV-AWEZNQCLSA-N 0 0 278.302 3.306 20 10 CGCDRN CCc1occc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000797452840 629948559 /nfs/dbraw/zinc/94/85/59/629948559.db2.gz ITKFGXBWIBMINX-UHFFFAOYSA-N 0 0 286.375 3.146 20 10 CGCDRN CC/C=C\CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000836573333 634778969 /nfs/dbraw/zinc/77/89/69/634778969.db2.gz PDBUUDQVOHMBPC-UTCJRWHESA-N 0 0 288.391 3.036 20 10 CGCDRN C[C@@H](NC(=S)NC(C1CC1)C1CC1)c1ccccc1O ZINC000865269536 630041364 /nfs/dbraw/zinc/04/13/64/630041364.db2.gz QEJUABIBZWFRIY-SNVBAGLBSA-N 0 0 290.432 3.106 20 10 CGCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000798248094 630041406 /nfs/dbraw/zinc/04/14/06/630041406.db2.gz OSNYLGRJVHTKAN-LBPRGKRZSA-N 0 0 271.382 3.021 20 10 CGCDRN CC(C)C[C@@H](C)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000798638732 630078545 /nfs/dbraw/zinc/07/85/45/630078545.db2.gz ZAXCSSYQKDEURF-HOSRBBHYSA-N 0 0 278.348 3.336 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000799728571 630226321 /nfs/dbraw/zinc/22/63/21/630226321.db2.gz BECMDOMQBSQOSE-IIMNLJJBSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@@H](NC1(C(F)F)CC1)c1cc(Cl)ccc1O ZINC000800502194 630288787 /nfs/dbraw/zinc/28/87/87/630288787.db2.gz OSWDWCOSICGYII-SSDOTTSWSA-N 0 0 261.699 3.494 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccco1 ZINC000839914194 630294292 /nfs/dbraw/zinc/29/42/92/630294292.db2.gz RVKFHKOKARICCA-CYBMUJFWSA-N 0 0 286.375 3.015 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1ccnc(C)n1 ZINC000800887475 630309263 /nfs/dbraw/zinc/30/92/63/630309263.db2.gz SGSVOTWHCOMUQI-UHFFFAOYSA-N 0 0 271.364 3.297 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1ncnc2c1CCC2 ZINC000800887011 630309356 /nfs/dbraw/zinc/30/93/56/630309356.db2.gz LDNBZSTVQNBPHR-UHFFFAOYSA-N 0 0 297.402 3.478 20 10 CGCDRN Cc1ccnc(N(C)Cc2ccccc2O)c1Cl ZINC000804577974 630538467 /nfs/dbraw/zinc/53/84/67/630538467.db2.gz JFJBEIRPSBOOAJ-UHFFFAOYSA-N 0 0 262.740 3.385 20 10 CGCDRN CC1(C)CC[C@H]1NC(=O)NCCCSc1nccs1 ZINC000806958831 630580408 /nfs/dbraw/zinc/58/04/08/630580408.db2.gz NUCXETNLKFXUHN-SNVBAGLBSA-N 0 0 299.465 3.113 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)C1CCC(F)(F)CC1 ZINC000807876993 630601479 /nfs/dbraw/zinc/60/14/79/630601479.db2.gz IBOVJZKAMBXXBJ-UHFFFAOYSA-N 0 0 275.320 3.104 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1CCCCC1 ZINC000808094472 630622160 /nfs/dbraw/zinc/62/21/60/630622160.db2.gz QDNOFHAYWYXZSF-UHFFFAOYSA-N 0 0 296.407 3.465 20 10 CGCDRN CN(C)c1ccc(OCC[C@@H](O)c2ccccc2)cc1 ZINC000810000830 630826666 /nfs/dbraw/zinc/82/66/66/630826666.db2.gz OORUECRSOAYFDG-QGZVFWFLSA-N 0 0 271.360 3.255 20 10 CGCDRN Cc1ccnc(NCCc2ccc(O)c(O)c2)c1Cl ZINC000811811438 631122766 /nfs/dbraw/zinc/12/27/66/631122766.db2.gz UQCCZVFTWOHMEE-UHFFFAOYSA-N 0 0 278.739 3.109 20 10 CGCDRN CON(Cc1ccc(Cl)cc1)C(=O)C1=CC(=O)CS1 ZINC000812799255 631315677 /nfs/dbraw/zinc/31/56/77/631315677.db2.gz UGRUDMXWHIPSDH-UHFFFAOYSA-N 0 0 297.763 3.311 20 10 CGCDRN COC1(c2ccccc2)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000813330690 631410262 /nfs/dbraw/zinc/41/02/62/631410262.db2.gz CXOSVXLETLXEPI-UHFFFAOYSA-N 0 0 296.414 3.110 20 10 CGCDRN Oc1ccccc1CNc1cnc(-c2ccccc2)cn1 ZINC000813591097 631439519 /nfs/dbraw/zinc/43/95/19/631439519.db2.gz SERKTDLDZRIYCR-UHFFFAOYSA-N 0 0 277.327 3.461 20 10 CGCDRN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000813872736 631475290 /nfs/dbraw/zinc/47/52/90/631475290.db2.gz KJGDMADUYMSTBA-SSDOTTSWSA-N 0 0 277.261 3.366 20 10 CGCDRN CCc1ccc(CN(C)c2ccc3c(c2)OCO3)nc1 ZINC000815076191 631711771 /nfs/dbraw/zinc/71/17/71/631711771.db2.gz YENVPNQPAXTIJT-UHFFFAOYSA-N 0 0 270.332 3.009 20 10 CGCDRN C[C@@H]1C[C@H](NCC(C)(F)F)c2c1c(F)ccc2O ZINC000815644503 631811332 /nfs/dbraw/zinc/81/13/32/631811332.db2.gz DASYIDSWYQNQIH-APPZFPTMSA-N 0 0 259.271 3.324 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CC1CC(C)(C)C1 ZINC000815796933 631824966 /nfs/dbraw/zinc/82/49/66/631824966.db2.gz TUURHRPOVFWSHY-UHFFFAOYSA-N 0 0 261.365 3.177 20 10 CGCDRN C[C@@H](NC(=O)c1ncoc1C1CC1)c1ccc(N(C)C)cc1 ZINC000816180170 631896133 /nfs/dbraw/zinc/89/61/33/631896133.db2.gz HHNISPSGSNCPLZ-LLVKDONJSA-N 0 0 299.374 3.109 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000816484280 631990114 /nfs/dbraw/zinc/99/01/14/631990114.db2.gz WOKNYGCEMMPXQF-UHFFFAOYSA-N 0 0 255.720 3.312 20 10 CGCDRN OCCc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816524811 632004601 /nfs/dbraw/zinc/00/46/01/632004601.db2.gz SAWUSXSBLNNZEE-UHFFFAOYSA-N 0 0 295.741 3.332 20 10 CGCDRN CCCC[N@H+](CCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610944 632022604 /nfs/dbraw/zinc/02/26/04/632022604.db2.gz DDRFMIRLQBTCPW-UHFFFAOYSA-N 0 0 289.778 3.169 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cc[nH]c(=O)c1 ZINC000816639223 632028608 /nfs/dbraw/zinc/02/86/08/632028608.db2.gz LINDZJVBNVTKGC-QMMMGPOBSA-N 0 0 296.729 3.136 20 10 CGCDRN Cc1cccc(CN(C)C(=O)c2ccc(C)c(O)c2O)c1C ZINC000816788812 632050911 /nfs/dbraw/zinc/05/09/11/632050911.db2.gz XPNLDIBFQIRJOM-UHFFFAOYSA-N 0 0 299.370 3.295 20 10 CGCDRN CC1(C)Cc2ccccc2N(C(=O)c2cccc(O)c2O)C1 ZINC000816901371 632059647 /nfs/dbraw/zinc/05/96/47/632059647.db2.gz KRJPCKVMHODHFY-UHFFFAOYSA-N 0 0 297.354 3.327 20 10 CGCDRN Cc1c2cc(OCCC3OCCCO3)ccc2n(C)c1C ZINC000817379906 632134826 /nfs/dbraw/zinc/13/48/26/632134826.db2.gz GPGRENSNLSJFLL-UHFFFAOYSA-N 0 0 289.375 3.327 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)/C=C/[C@@H]3CCOC3)cc12 ZINC000817760603 632223519 /nfs/dbraw/zinc/22/35/19/632223519.db2.gz BGDGRHLICSHECT-BTKRWWFXSA-N 0 0 299.370 3.293 20 10 CGCDRN CC1(C)CCc2sc(NC(=O)C3=CC(=O)CS3)nc21 ZINC000817766200 632224541 /nfs/dbraw/zinc/22/45/41/632224541.db2.gz KYOOUVQDRVZVPJ-UHFFFAOYSA-N 0 0 294.401 3.386 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1ccc3c(c1)CCN3)CC2 ZINC000817947426 632244392 /nfs/dbraw/zinc/24/43/92/632244392.db2.gz NFCPIGHIVLPDHU-OAHLLOKOSA-N 0 0 266.344 3.460 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000817968186 632261182 /nfs/dbraw/zinc/26/11/82/632261182.db2.gz HEIGYIBZZVSCBQ-LEWSCRJBSA-N 0 0 282.815 3.084 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)CN)c1cc(Cl)cc(Cl)c1[O-] ZINC000817966396 632261804 /nfs/dbraw/zinc/26/18/04/632261804.db2.gz MUSFFHKDYWESGW-HQJQHLMTSA-N 0 0 277.195 3.087 20 10 CGCDRN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(F)(F)F ZINC000818229070 632300486 /nfs/dbraw/zinc/30/04/86/632300486.db2.gz KVUNSMUKXWAGRG-DOGVGXBMSA-N 0 0 272.314 3.306 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000818636101 632344103 /nfs/dbraw/zinc/34/41/03/632344103.db2.gz KGCIQTWBYPEKFU-SWLSCSKDSA-N 0 0 273.380 3.359 20 10 CGCDRN CC1(C)CCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000819181494 632396491 /nfs/dbraw/zinc/39/64/91/632396491.db2.gz YHYVFXRZXXPUDX-CFNZNRNTSA-N 0 0 289.375 3.054 20 10 CGCDRN O[C@@H](CNc1ccccc1OCC1CC1)Cc1ccccc1 ZINC000819452828 632461663 /nfs/dbraw/zinc/46/16/63/632461663.db2.gz VFQPSQAKFJXINS-QGZVFWFLSA-N 0 0 297.398 3.491 20 10 CGCDRN C[C@H](NC(=O)C(F)=C1CCC1)c1ccc(N(C)C)cc1 ZINC000819501755 632474888 /nfs/dbraw/zinc/47/48/88/632474888.db2.gz KPDMETUYDGEBIQ-NSHDSACASA-N 0 0 276.355 3.337 20 10 CGCDRN CC[C@@H](C)CN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820580839 632649403 /nfs/dbraw/zinc/64/94/03/632649403.db2.gz GXGGOIAQXIGWSS-LLVKDONJSA-N 0 0 290.367 3.357 20 10 CGCDRN CC1(C)CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000821481627 632781921 /nfs/dbraw/zinc/78/19/21/632781921.db2.gz OTLGXASTKZGQMO-GFCCVEGCSA-N 0 0 288.351 3.158 20 10 CGCDRN Cc1nc(N2Cc3cccc(O)c3C2)cc(C(F)(F)F)n1 ZINC000866119998 633005046 /nfs/dbraw/zinc/00/50/46/633005046.db2.gz VAQMJARTCCOVRC-UHFFFAOYSA-N 0 0 295.264 3.030 20 10 CGCDRN C[C@H](NCc1cc2n(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000844322453 635869723 /nfs/dbraw/zinc/86/97/23/635869723.db2.gz NCBYBMAMXVLMBE-AWEZNQCLSA-N 0 0 298.434 3.136 20 10 CGCDRN CCCCCN(C(=O)C1=CC(=O)CS1)C(C)C ZINC000822989951 633046713 /nfs/dbraw/zinc/04/67/13/633046713.db2.gz DCRGKLDVHRAFSH-UHFFFAOYSA-N 0 0 255.383 3.495 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccncc1 ZINC000866599033 633206791 /nfs/dbraw/zinc/20/67/91/633206791.db2.gz YCBPUZVDLCFMKT-CQSZACIVSA-N 0 0 298.386 3.330 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cccc(C)c2F)c(O)c1 ZINC000824320470 633229765 /nfs/dbraw/zinc/22/97/65/633229765.db2.gz IIEXYGZYUJHIGG-UHFFFAOYSA-N 0 0 275.323 3.138 20 10 CGCDRN CC[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824432442 633244789 /nfs/dbraw/zinc/24/47/89/633244789.db2.gz UITWWZZIFIKLQS-JTQLQIEISA-N 0 0 276.340 3.015 20 10 CGCDRN CCC[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000824544124 633258034 /nfs/dbraw/zinc/25/80/34/633258034.db2.gz UKAVEWJPVSEXSG-SECBINFHSA-N 0 0 275.751 3.089 20 10 CGCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]2C2CC2)c1O ZINC000824651028 633268747 /nfs/dbraw/zinc/26/87/47/633268747.db2.gz SPLVIHKNYJQLRA-GFCCVEGCSA-N 0 0 267.756 3.039 20 10 CGCDRN CC(C)(C)c1csc(C(=O)Nc2ccc(N)cc2)n1 ZINC000867966220 633282403 /nfs/dbraw/zinc/28/24/03/633282403.db2.gz NTLITNOCQZOOKC-UHFFFAOYSA-N 0 0 275.377 3.275 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000867968467 633282718 /nfs/dbraw/zinc/28/27/18/633282718.db2.gz DNMFVURYYLJMTH-SCRDCRAPSA-N 0 0 276.380 3.331 20 10 CGCDRN CCC[C@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000121967932 633289375 /nfs/dbraw/zinc/28/93/75/633289375.db2.gz CHSRGXQEZRPASN-INIZCTEOSA-N 0 0 276.424 3.441 20 10 CGCDRN COc1ccc(N(C)CCOC(C)C)cc1Cl ZINC000121984780 633291276 /nfs/dbraw/zinc/29/12/76/633291276.db2.gz CNKQPQSUCYWYRX-UHFFFAOYSA-N 0 0 257.761 3.210 20 10 CGCDRN CCc1ncc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000825079146 633326014 /nfs/dbraw/zinc/32/60/14/633326014.db2.gz MIHZOQVROOCWOT-UHFFFAOYSA-N 0 0 284.718 3.025 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C)CCC1CC1)c1ccccc1O ZINC000868507857 633330839 /nfs/dbraw/zinc/33/08/39/633330839.db2.gz ATEPLMIVZHPYBU-NWDGAFQWSA-N 0 0 276.380 3.331 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC[C@@H]1CCOC1 ZINC000825143703 633332619 /nfs/dbraw/zinc/33/26/19/633332619.db2.gz ICOSKEYVVUMLHY-SNVBAGLBSA-N 0 0 287.762 3.091 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000868565849 633336564 /nfs/dbraw/zinc/33/65/64/633336564.db2.gz DFEHFQSUFXOHGU-JHJVBQTASA-N 0 0 276.380 3.189 20 10 CGCDRN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])C1(O)CCCC1 ZINC000825240135 633338858 /nfs/dbraw/zinc/33/88/58/633338858.db2.gz HNFLACRBVAFVGW-UHFFFAOYSA-N 0 0 297.826 3.467 20 10 CGCDRN COC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000825322138 633345864 /nfs/dbraw/zinc/34/58/64/633345864.db2.gz YGWCOLMNZAOFDQ-GFCCVEGCSA-N 0 0 283.799 3.294 20 10 CGCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868698487 633353269 /nfs/dbraw/zinc/35/32/69/633353269.db2.gz HXQQDZGRBNACLK-PJODQICGSA-N 0 0 276.380 3.187 20 10 CGCDRN O=[N+]([O-])c1cc2c(nc1NCc1ccccc1O)CCCC2 ZINC000825668901 633371826 /nfs/dbraw/zinc/37/18/26/633371826.db2.gz ZYXJCMXAKMDHOG-UHFFFAOYSA-N 0 0 299.330 3.186 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cnn2c1CCC2 ZINC000825943762 633390427 /nfs/dbraw/zinc/39/04/27/633390427.db2.gz KOQPUBUBPWAQMF-UHFFFAOYSA-N 0 0 297.402 3.181 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccn1 ZINC000826802350 633434081 /nfs/dbraw/zinc/43/40/81/633434081.db2.gz FDSYRLLDCXWTAB-JTQLQIEISA-N 0 0 294.757 3.473 20 10 CGCDRN COCC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC000826834948 633436206 /nfs/dbraw/zinc/43/62/06/633436206.db2.gz YWWJXFKRORHNIY-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000827371373 633486085 /nfs/dbraw/zinc/48/60/85/633486085.db2.gz SOEUHHYPPZJAHC-ZJUUUORDSA-N 0 0 287.762 3.184 20 10 CGCDRN CCN(Cc1cc(OC)ccc1O)c1cccc(O)c1 ZINC000827907531 633533585 /nfs/dbraw/zinc/53/35/85/633533585.db2.gz AXPWXHRVKASGDQ-UHFFFAOYSA-N 0 0 273.332 3.133 20 10 CGCDRN CC(C)c1ncc(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827940369 633537196 /nfs/dbraw/zinc/53/71/96/633537196.db2.gz CEDGRJZKKBGESZ-SNVBAGLBSA-N 0 0 290.388 3.463 20 10 CGCDRN CCCN(Cc1ccccc1O)[C@H](C)c1csnn1 ZINC000827939132 633537519 /nfs/dbraw/zinc/53/75/19/633537519.db2.gz ZBMLFYDPLNFNNQ-LLVKDONJSA-N 0 0 277.393 3.217 20 10 CGCDRN C[C@@H](NC(=O)c1ccoc1C1CC1)c1ccccc1O ZINC000827946458 633538464 /nfs/dbraw/zinc/53/84/64/633538464.db2.gz ILFMSPZKSRHOPR-SNVBAGLBSA-N 0 0 271.316 3.354 20 10 CGCDRN Nc1ccc(CC(=O)NC2(c3ccc(F)cc3)CCC2)cc1 ZINC000827953402 633539871 /nfs/dbraw/zinc/53/98/71/633539871.db2.gz LLQWZIDDSRVMRE-UHFFFAOYSA-N 0 0 298.361 3.146 20 10 CGCDRN CC[C@H](CC(F)F)C(=O)N[C@@H](C)c1ccccc1O ZINC000827959605 633540605 /nfs/dbraw/zinc/54/06/05/633540605.db2.gz CHWGWSYXJFNBGF-VHSXEESVSA-N 0 0 271.307 3.251 20 10 CGCDRN C[C@H](NC(=O)[C@@]1(C)CC=CCC1)c1ccccc1O ZINC000827964253 633542092 /nfs/dbraw/zinc/54/20/92/633542092.db2.gz JHQGVVVIUKMRMR-LRDDRELGSA-N 0 0 259.349 3.316 20 10 CGCDRN CC(C)c1ncc(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827972893 633543013 /nfs/dbraw/zinc/54/30/13/633543013.db2.gz CEDGRJZKKBGESZ-JTQLQIEISA-N 0 0 290.388 3.463 20 10 CGCDRN Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827985313 633545140 /nfs/dbraw/zinc/54/51/40/633545140.db2.gz IURVUYZEBQZXRL-UONOGXRCSA-N 0 0 299.370 3.345 20 10 CGCDRN O=C(C[C@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000828327792 633605547 /nfs/dbraw/zinc/60/55/47/633605547.db2.gz SJMOGJJSCFWYMI-LLVKDONJSA-N 0 0 281.302 3.060 20 10 CGCDRN C[C@]1(c2ccccc2)C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000881428648 636108613 /nfs/dbraw/zinc/10/86/13/636108613.db2.gz ISQRDRCWCAELQU-QFBILLFUSA-N 0 0 293.366 3.212 20 10 CGCDRN O=C(N1Cc2cccc(O)c2C1)C1(c2ccccc2)CCC1 ZINC000871198412 633722782 /nfs/dbraw/zinc/72/27/82/633722782.db2.gz IFKMLABGGPCXCY-UHFFFAOYSA-N 0 0 293.366 3.356 20 10 CGCDRN C[C@H](Cc1cccc(F)c1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871200439 633723382 /nfs/dbraw/zinc/72/33/82/633723382.db2.gz BYQLVMNKISXJHR-GFCCVEGCSA-N 0 0 299.345 3.252 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204758 633724498 /nfs/dbraw/zinc/72/44/98/633724498.db2.gz JTRVUTACFVEAIQ-YPMHNXCESA-N 0 0 259.349 3.061 20 10 CGCDRN Cc1ccc(C[C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204392 633724609 /nfs/dbraw/zinc/72/46/09/633724609.db2.gz HTDYUQMLKSOILS-AWEZNQCLSA-N 0 0 295.382 3.422 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871327466 633759021 /nfs/dbraw/zinc/75/90/21/633759021.db2.gz ZHXFTBARMGJBIS-CYBMUJFWSA-N 0 0 295.404 3.018 20 10 CGCDRN COC(=O)c1cnc(SCc2ccc(C)nc2C)s1 ZINC000829677580 633765201 /nfs/dbraw/zinc/76/52/01/633765201.db2.gz DENFQPMRZSAWKJ-UHFFFAOYSA-N 0 0 294.401 3.234 20 10 CGCDRN O=C(OCSc1ncc(Cl)s1)N1CCCC1 ZINC000871678690 633821822 /nfs/dbraw/zinc/82/18/22/633821822.db2.gz OEBNKAXIFZOTAH-UHFFFAOYSA-N 0 0 278.786 3.079 20 10 CGCDRN CO[C@H](C)c1noc(CNc2ccccc2NC(C)C)n1 ZINC000871846001 633890497 /nfs/dbraw/zinc/89/04/97/633890497.db2.gz OQLLMDCYSCGBJV-LLVKDONJSA-N 0 0 290.367 3.209 20 10 CGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000831033586 633912046 /nfs/dbraw/zinc/91/20/46/633912046.db2.gz ZKJIDXIDUIYMJI-DOMZBBRYSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cc(F)cc(F)c1[O-] ZINC000872110136 634035251 /nfs/dbraw/zinc/03/52/51/634035251.db2.gz VWCRPZZVKSUUHN-PCVQNBPASA-N 0 0 297.345 3.279 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000832260785 634039803 /nfs/dbraw/zinc/03/98/03/634039803.db2.gz YRKURHGNTYQFPK-SECBINFHSA-N 0 0 299.351 3.174 20 10 CGCDRN COCc1ccnc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000846211445 636159433 /nfs/dbraw/zinc/15/94/33/636159433.db2.gz FVPHRHGDWIRFHS-SNVBAGLBSA-N 0 0 276.311 3.246 20 10 CGCDRN CCC(C)(C)CCS(=O)(=O)Nc1ccc(O)cc1F ZINC000872361999 634118775 /nfs/dbraw/zinc/11/87/75/634118775.db2.gz ZWCXAEMYNQHJQM-UHFFFAOYSA-N 0 0 289.372 3.099 20 10 CGCDRN C[C@H](Nc1cc(Cl)n[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000872512710 634159250 /nfs/dbraw/zinc/15/92/50/634159250.db2.gz ACGBGZOUAAJADY-VIFPVBQESA-N 0 0 292.770 3.075 20 10 CGCDRN CCC(C)(C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000834554632 634182112 /nfs/dbraw/zinc/18/21/12/634182112.db2.gz DTIVLLMWHOOVSV-SNVBAGLBSA-N 0 0 266.341 3.215 20 10 CGCDRN CCC[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834841590 634255092 /nfs/dbraw/zinc/25/50/92/634255092.db2.gz XUUAZWNMDUSCKQ-GXSJLCMTSA-N 0 0 273.323 3.136 20 10 CGCDRN CCn1nc(C)c(NCc2cc(Cl)ccc2O)c1C ZINC000124415781 634268411 /nfs/dbraw/zinc/26/84/11/634268411.db2.gz RQUPBLBHQGJXAL-UHFFFAOYSA-N 0 0 279.771 3.491 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2cnn(CC3CC3)c2)cc1 ZINC000835042786 634330189 /nfs/dbraw/zinc/33/01/89/634330189.db2.gz XWLWKTIYGAVODH-ARJAWSKDSA-N 0 0 296.418 3.484 20 10 CGCDRN CCC1C[NH+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000835075750 634343043 /nfs/dbraw/zinc/34/30/43/634343043.db2.gz ZKYDRAGLGHFCGF-UHFFFAOYSA-N 0 0 284.197 3.305 20 10 CGCDRN Cc1ccc(CN2CCOC[C@@H]2c2ccccc2)c(O)c1 ZINC000876770364 634896447 /nfs/dbraw/zinc/89/64/47/634896447.db2.gz DONJQNMMLPQUEO-QGZVFWFLSA-N 0 0 283.371 3.274 20 10 CGCDRN CCOc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000876937425 634932477 /nfs/dbraw/zinc/93/24/77/634932477.db2.gz WCTACJINVRABSV-UHFFFAOYSA-N 0 0 293.313 3.359 20 10 CGCDRN CCCc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000126251835 634936556 /nfs/dbraw/zinc/93/65/56/634936556.db2.gz LEIITJPYTNIMMQ-UHFFFAOYSA-N 0 0 271.316 3.303 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(Cl)c1 ZINC000126312589 634959377 /nfs/dbraw/zinc/95/93/77/634959377.db2.gz XUQLSWXTUFJDHT-SECBINFHSA-N 0 0 291.734 3.242 20 10 CGCDRN CC1=CC[C@@](C)(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877075095 634972546 /nfs/dbraw/zinc/97/25/46/634972546.db2.gz ZGZIWZJDLPXUOO-MRXNPFEDSA-N 0 0 258.365 3.368 20 10 CGCDRN CN(C(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(N)cc1 ZINC000877076141 634973398 /nfs/dbraw/zinc/97/33/98/634973398.db2.gz MORXLKUUGCILFV-GFCCVEGCSA-N 0 0 260.381 3.448 20 10 CGCDRN CC[C@H](C)n1ncc(C(=O)N(C)c2ccc(N)cc2)c1C ZINC000877075252 634973542 /nfs/dbraw/zinc/97/35/42/634973542.db2.gz BFZUZHRRHCUHIJ-NSHDSACASA-N 0 0 286.379 3.021 20 10 CGCDRN C[C@H]1CCC[C@@H](CC(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078285 634975283 /nfs/dbraw/zinc/97/52/83/634975283.db2.gz KYZHZZOARDRDQG-QWHCGFSZSA-N 0 0 260.381 3.448 20 10 CGCDRN CCc1ccc(CCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080884 634977279 /nfs/dbraw/zinc/97/72/79/634977279.db2.gz QCNOIOIZOUXECP-UHFFFAOYSA-N 0 0 282.387 3.427 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000126356993 634987100 /nfs/dbraw/zinc/98/71/00/634987100.db2.gz UJXXCITYVDGWSH-UHFFFAOYSA-N 0 0 272.732 3.184 20 10 CGCDRN COC(=O)CCc1cccc(NCc2ccc(C)cc2O)c1 ZINC000877465123 635047631 /nfs/dbraw/zinc/04/76/31/635047631.db2.gz PZXHFUANNOOVQI-UHFFFAOYSA-N 0 0 299.370 3.418 20 10 CGCDRN Cc1cccc(CCC[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000877513984 635066150 /nfs/dbraw/zinc/06/61/50/635066150.db2.gz FRURXBDPEFXWPY-UHFFFAOYSA-N 0 0 292.329 3.096 20 10 CGCDRN C[C@@H](N[C@@H](C)c1csnn1)c1cc(Cl)ccc1O ZINC000840885895 635073843 /nfs/dbraw/zinc/07/38/43/635073843.db2.gz HXFMHMABKKDGAU-SFYZADRCSA-N 0 0 283.784 3.309 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(F)cc1[O-] ZINC000840895236 635078092 /nfs/dbraw/zinc/07/80/92/635078092.db2.gz ZGUIQMNIYBTAKB-WHOFXGATSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)C(C)C ZINC000840967566 635095639 /nfs/dbraw/zinc/09/56/39/635095639.db2.gz HRWZYCVZGYOPRK-BXUZGUMPSA-N 0 0 289.778 3.070 20 10 CGCDRN Cc1ccc(CNc2cccc([C@@H]3CCC(=O)N3)c2)c(O)c1 ZINC000877590660 635104899 /nfs/dbraw/zinc/10/48/99/635104899.db2.gz CWVATEIEMZGKMM-INIZCTEOSA-N 0 0 296.370 3.264 20 10 CGCDRN COc1cc2c(cc1CNc1ccc(N)cc1)O[C@H](C)C2 ZINC000841040555 635112257 /nfs/dbraw/zinc/11/22/57/635112257.db2.gz SXDIDUQLOUKHSW-LLVKDONJSA-N 0 0 284.359 3.213 20 10 CGCDRN Nc1ccc(NCCCc2ccc3c(c2)CCO3)cc1 ZINC000841040225 635112583 /nfs/dbraw/zinc/11/25/83/635112583.db2.gz IZWXGVLYJPXDSG-UHFFFAOYSA-N 0 0 268.360 3.248 20 10 CGCDRN COc1cc2c(c(CNc3ccc(N)cc3)c1)O[C@@H](C)C2 ZINC000841039901 635112629 /nfs/dbraw/zinc/11/26/29/635112629.db2.gz DKSWSNRORKIMBP-NSHDSACASA-N 0 0 284.359 3.213 20 10 CGCDRN COCC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCCCC1 ZINC000877644352 635128612 /nfs/dbraw/zinc/12/86/12/635128612.db2.gz OKWOEPYCKHFGOV-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCCO1 ZINC000877702380 635153805 /nfs/dbraw/zinc/15/38/05/635153805.db2.gz QZMKSKOPPKDMKY-CYBMUJFWSA-N 0 0 283.799 3.483 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877703393 635155024 /nfs/dbraw/zinc/15/50/24/635155024.db2.gz GRJOKFOVTWWFIZ-VXNVDRBHSA-N 0 0 283.652 3.225 20 10 CGCDRN Oc1cccc2c1CN(Cc1cccc3c1OCCCO3)C2 ZINC000877703755 635155593 /nfs/dbraw/zinc/15/55/93/635155593.db2.gz SKANERVFZBHFML-UHFFFAOYSA-N 0 0 297.354 3.069 20 10 CGCDRN Oc1cccc2c1CN(Cc1nc(Cl)cs1)C2 ZINC000877703195 635155823 /nfs/dbraw/zinc/15/58/23/635155823.db2.gz VTPMNFKXIGNCOU-UHFFFAOYSA-N 0 0 266.753 3.018 20 10 CGCDRN Nc1ccc(CCNC(=O)NCCC2CCCCC2)cc1 ZINC000841700212 635215405 /nfs/dbraw/zinc/21/54/05/635215405.db2.gz LEWGIBWEEVYDKO-UHFFFAOYSA-N 0 0 289.423 3.081 20 10 CGCDRN COCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746789 635223721 /nfs/dbraw/zinc/22/37/21/635223721.db2.gz LGVSODUFQCQZOZ-NXEZZACHSA-N 0 0 257.761 3.121 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841747945 635223898 /nfs/dbraw/zinc/22/38/98/635223898.db2.gz FSGMJMXXIOEKEL-FOGDFJRCSA-N 0 0 269.772 3.264 20 10 CGCDRN C[C@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841746647 635224143 /nfs/dbraw/zinc/22/41/43/635224143.db2.gz JQTJRCGDDCYLQH-JTQLQIEISA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(Cl)cc1[O-] ZINC000841751268 635225167 /nfs/dbraw/zinc/22/51/67/635225167.db2.gz HABDMAMOYYJKNJ-NSHDSACASA-N 0 0 282.815 3.181 20 10 CGCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841751180 635226035 /nfs/dbraw/zinc/22/60/35/635226035.db2.gz MEUPTKPFIRUBLD-GHMZBOCLSA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@@H]([NH2+]CCCCCCO)c1ccc(Cl)cc1[O-] ZINC000841752038 635226053 /nfs/dbraw/zinc/22/60/53/635226053.db2.gz QKFCHICATHKWBJ-LLVKDONJSA-N 0 0 271.788 3.249 20 10 CGCDRN C[C@H](N[C@@H](C)c1ccc(Cl)cc1O)c1csnn1 ZINC000841754760 635228797 /nfs/dbraw/zinc/22/87/97/635228797.db2.gz DCRHEDIWQYSQDF-YUMQZZPRSA-N 0 0 283.784 3.309 20 10 CGCDRN CCc1nnc(CN[C@@H](C)c2ccc(Cl)cc2O)s1 ZINC000841758335 635231062 /nfs/dbraw/zinc/23/10/62/635231062.db2.gz SHIBIHYECCABLD-QMMMGPOBSA-N 0 0 297.811 3.310 20 10 CGCDRN CCn1ncc(NCc2cc(Cl)c(C)cc2O)c1C ZINC000877834613 635235473 /nfs/dbraw/zinc/23/54/73/635235473.db2.gz UFRIWDKUAYUPHM-UHFFFAOYSA-N 0 0 279.771 3.491 20 10 CGCDRN Cc1ccc2c(c1)N[C@H](c1cc(Cl)ccc1O)NC2=O ZINC000877864245 635245362 /nfs/dbraw/zinc/24/53/62/635245362.db2.gz OFXVEQGIJDAMDV-AWEZNQCLSA-N 0 0 288.734 3.208 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCCC[C@H]1CCOC1 ZINC000842649478 635428062 /nfs/dbraw/zinc/42/80/62/635428062.db2.gz OCTBNGAQOOKZJB-HNNXBMFYSA-N 0 0 275.392 3.482 20 10 CGCDRN Cc1cc(-c2nc(CN)no2)c(C)n1-c1cc(C)cc(C)c1 ZINC000842650794 635428130 /nfs/dbraw/zinc/42/81/30/635428130.db2.gz JVWLJSUXPRGMKK-UHFFFAOYSA-N 0 0 296.374 3.220 20 10 CGCDRN COc1ccc(N2CC[C@@H](COC(=O)CC(C)C)C2)cc1 ZINC000842881364 635504568 /nfs/dbraw/zinc/50/45/68/635504568.db2.gz MQBCJVDUPXVFGD-CQSZACIVSA-N 0 0 291.391 3.111 20 10 CGCDRN CC[C@H](C)C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877389 635504865 /nfs/dbraw/zinc/50/48/65/635504865.db2.gz CJLDCLDEVGALTP-KBPBESRZSA-N 0 0 291.391 3.111 20 10 CGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccccc1O ZINC000878559866 635556352 /nfs/dbraw/zinc/55/63/52/635556352.db2.gz VGXXTXSSLXLRLT-CJNGLKHVSA-N 0 0 261.365 3.225 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000844201577 635830358 /nfs/dbraw/zinc/83/03/58/635830358.db2.gz BRWJPOJMTUDAJX-SFHVURJKSA-N 0 0 284.403 3.160 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000074261765 635870586 /nfs/dbraw/zinc/87/05/86/635870586.db2.gz PGOYMQPBCITSRO-NWDGAFQWSA-N 0 0 294.395 3.025 20 10 CGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)cc2)oc1C ZINC000844353753 635878518 /nfs/dbraw/zinc/87/85/18/635878518.db2.gz YZCQMXMGKYJEKI-UHFFFAOYSA-N 0 0 289.331 3.020 20 10 CGCDRN CCC[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844851736 635975180 /nfs/dbraw/zinc/97/51/80/635975180.db2.gz FJYHFJZVLBHCFK-CQSZACIVSA-N 0 0 292.423 3.026 20 10 CGCDRN Cc1cc(NCc2ccccc2O)ncc1Br ZINC000128392463 635989959 /nfs/dbraw/zinc/98/99/59/635989959.db2.gz MGXSNLQEWLXFRD-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN C[C@@](CO)([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000128585739 636042274 /nfs/dbraw/zinc/04/22/74/636042274.db2.gz AGHFTYVCKWFJAF-INIZCTEOSA-N 0 0 291.778 3.043 20 10 CGCDRN CCc1ncc(CN(C)c2ccc(OC)cc2)s1 ZINC000845998374 636127690 /nfs/dbraw/zinc/12/76/90/636127690.db2.gz LYYVNIAYQGSNJD-UHFFFAOYSA-N 0 0 262.378 3.351 20 10 CGCDRN COCc1ccnc(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC000846116395 636146845 /nfs/dbraw/zinc/14/68/45/636146845.db2.gz AEJDCRNJWHCJNH-PLNGDYQASA-N 0 0 297.402 3.419 20 10 CGCDRN COC1(C(=O)NCc2cc(Cl)ccc2O)CCCCC1 ZINC000846472968 636187197 /nfs/dbraw/zinc/18/71/97/636187197.db2.gz HEKNVTVKBJRIID-UHFFFAOYSA-N 0 0 297.782 3.011 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC(F)(F)C1 ZINC000846472641 636187293 /nfs/dbraw/zinc/18/72/93/636187293.db2.gz CVMWIAYZSUZETL-QMMMGPOBSA-N 0 0 289.709 3.097 20 10 CGCDRN CCC(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472714 636187371 /nfs/dbraw/zinc/18/73/71/636187371.db2.gz MDUYCLZOJBUPRM-UHFFFAOYSA-N 0 0 255.745 3.098 20 10 CGCDRN CC1(C)CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473247 636187375 /nfs/dbraw/zinc/18/73/75/636187375.db2.gz KVSHPVIAZWKGBK-GFCCVEGCSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1cc(Cl)ccc1O ZINC000846476143 636188991 /nfs/dbraw/zinc/18/89/91/636188991.db2.gz JNVIWEMXXINMED-NRUUGDAUSA-N 0 0 279.767 3.098 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000846478009 636189186 /nfs/dbraw/zinc/18/91/86/636189186.db2.gz XLXKHPYUMHUARY-GMTAPVOTSA-N 0 0 279.767 3.098 20 10 CGCDRN O=C(N[C@H]1c2ccccc2CC[C@H]1F)C1=CC(=O)CS1 ZINC000882696189 636385554 /nfs/dbraw/zinc/38/55/54/636385554.db2.gz RVLZDDOLHFFUTK-OCCSQVGLSA-N 0 0 291.347 3.209 20 10 CGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cncs1 ZINC000129946153 636400168 /nfs/dbraw/zinc/40/01/68/636400168.db2.gz MVMRQNNSZCHJQL-IZZDOVSWSA-N 0 0 293.417 3.036 20 10 CGCDRN CCC(=CC(=O)NCc1ccc(N(C)C)cc1C)CC ZINC000130316088 636440975 /nfs/dbraw/zinc/44/09/75/636440975.db2.gz KUTBWOCPYDTNPE-UHFFFAOYSA-N 0 0 274.408 3.424 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC000883016832 636507633 /nfs/dbraw/zinc/50/76/33/636507633.db2.gz NMASKQQATFOZRQ-AWEZNQCLSA-N 0 0 278.302 3.306 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C1CCC1 ZINC000131010953 636543733 /nfs/dbraw/zinc/54/37/33/636543733.db2.gz UAFRXBRTQLYTRW-CYBMUJFWSA-N 0 0 289.423 3.049 20 10 CGCDRN CCN(Cc1ccc(N(C)C)c(F)c1)CC(F)(F)F ZINC000131479111 636660089 /nfs/dbraw/zinc/66/00/89/636660089.db2.gz XTQBTWPWGMIMMX-UHFFFAOYSA-N 0 0 278.293 3.276 20 10 CGCDRN CCc1cccc(CNc2cc(C(=O)NC)ccc2C)c1O ZINC000848892310 636679107 /nfs/dbraw/zinc/67/91/07/636679107.db2.gz RRFDCVSEKMOHEB-UHFFFAOYSA-N 0 0 298.386 3.235 20 10 CGCDRN COc1cccc(CNc2cnc(C)c(C)c2)c1O ZINC000883342007 636688165 /nfs/dbraw/zinc/68/81/65/636688165.db2.gz HITKGLQUMOXXJI-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN CCOc1ccc(O)c(CN2Cc3ccc(OC)cc3C2)c1 ZINC000848926032 636698792 /nfs/dbraw/zinc/69/87/92/636698792.db2.gz PXYXGWIQCLXQNE-UHFFFAOYSA-N 0 0 299.370 3.315 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883363905 636704686 /nfs/dbraw/zinc/70/46/86/636704686.db2.gz RDQKMKPVFRSMDD-SNVBAGLBSA-N 0 0 299.773 3.376 20 10 CGCDRN COc1cccc(CN(C)c2cccc(C)c2)c1O ZINC000132856783 636843169 /nfs/dbraw/zinc/84/31/69/636843169.db2.gz GPYXDHOJESUNCI-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN C[C@H](NC(=O)NCC1(CC2CC2)CC1)c1ccccc1O ZINC000883807105 636845248 /nfs/dbraw/zinc/84/52/48/636845248.db2.gz IOYBBKLNOJJJLX-LBPRGKRZSA-N 0 0 288.391 3.333 20 10 CGCDRN CCN1CC[C@@H](Sc2ncc(C(C)(C)C)s2)C1=O ZINC000849886989 636899822 /nfs/dbraw/zinc/89/98/22/636899822.db2.gz FYMXJSVXHXOGCQ-SECBINFHSA-N 0 0 284.450 3.154 20 10 CGCDRN Clc1cnc(SCc2nnc3n2CCCC3)s1 ZINC000849999190 636925008 /nfs/dbraw/zinc/92/50/08/636925008.db2.gz PAPFYVNVODYMOQ-UHFFFAOYSA-N 0 0 286.813 3.017 20 10 CGCDRN CC(C)n1ccnc1C[NH2+]CCCSc1nccs1 ZINC000850144912 636967614 /nfs/dbraw/zinc/96/76/14/636967614.db2.gz MCZNHYFCVCVDLT-UHFFFAOYSA-N 0 0 296.465 3.193 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(Cl)nc(Cl)c1 ZINC000133762145 636974746 /nfs/dbraw/zinc/97/47/46/636974746.db2.gz IYFGVROJWWPJKJ-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN CCOc1ccc(O)c(CN[C@@H](C)c2cscn2)c1 ZINC000850359290 637028198 /nfs/dbraw/zinc/02/81/98/637028198.db2.gz CTMHDUWHIGUQFF-JTQLQIEISA-N 0 0 278.377 3.098 20 10 CGCDRN CCn1ccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC000850363540 637030458 /nfs/dbraw/zinc/03/04/58/637030458.db2.gz DXJHSQCRBKHFOG-UHFFFAOYSA-N 0 0 265.744 3.183 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(Cl)c1[O-] ZINC000850490227 637088905 /nfs/dbraw/zinc/08/89/05/637088905.db2.gz XROPMBBXCDHDMU-KGLIPLIRSA-N 0 0 283.799 3.247 20 10 CGCDRN CCN(C)c1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850499451 637092178 /nfs/dbraw/zinc/09/21/78/637092178.db2.gz PUGOYABHGIDPQK-DVOMOZLQSA-N 0 0 299.422 3.091 20 10 CGCDRN Cc1cc(F)ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000135319415 637112119 /nfs/dbraw/zinc/11/21/19/637112119.db2.gz SPFVUXNWJBROIQ-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850544456 637115728 /nfs/dbraw/zinc/11/57/28/637115728.db2.gz XGDHLCMKLIUNPN-KBPBESRZSA-N 0 0 294.414 3.302 20 10 CGCDRN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850571099 637128641 /nfs/dbraw/zinc/12/86/41/637128641.db2.gz MNXTWXRNGYHQDY-KDDOJWQBSA-N 0 0 289.297 3.239 20 10 CGCDRN Nc1ccc(CNC(=O)C2[C@H]3CCCCCC[C@H]23)cc1 ZINC000850712601 637135064 /nfs/dbraw/zinc/13/50/64/637135064.db2.gz YESGEKZBJLDBBI-GJZGRUSLSA-N 0 0 272.392 3.101 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC(c3ccco3)CC2)cc1 ZINC000850753362 637145049 /nfs/dbraw/zinc/14/50/49/637145049.db2.gz YHEKMDFZFPMFTB-UHFFFAOYSA-N 0 0 285.347 3.273 20 10 CGCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)Cc1ccc(N)cc1 ZINC000851647579 637464907 /nfs/dbraw/zinc/46/49/07/637464907.db2.gz NSSSSSLPGXEWJQ-SFHVURJKSA-N 0 0 294.398 3.314 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)o1 ZINC000886502833 637543969 /nfs/dbraw/zinc/54/39/69/637543969.db2.gz QBKXSPIUVAILKR-NSHDSACASA-N 0 0 263.312 3.326 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccncc1 ZINC000886536730 637561774 /nfs/dbraw/zinc/56/17/74/637561774.db2.gz NVDZGEVPDUOVSJ-NEPJUHHUSA-N 0 0 274.339 3.381 20 10 CGCDRN CCc1cnc(CN[C@H](C)c2c(O)cccc2F)s1 ZINC000886535347 637562093 /nfs/dbraw/zinc/56/20/93/637562093.db2.gz YTZPDBLSQZFBIR-SECBINFHSA-N 0 0 280.368 3.401 20 10 CGCDRN CCC1(O)CCC([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886543822 637572362 /nfs/dbraw/zinc/57/23/62/637572362.db2.gz VVKOOBKGWFKPSH-FZWSLVFFSA-N 0 0 281.371 3.266 20 10 CGCDRN C[C@H]([NH2+]CCCc1nccs1)c1c([O-])cccc1F ZINC000886547692 637573405 /nfs/dbraw/zinc/57/34/05/637573405.db2.gz PXXDMINMYMFVBQ-JTQLQIEISA-N 0 0 280.368 3.271 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886548140 637574003 /nfs/dbraw/zinc/57/40/03/637574003.db2.gz XWKSKYNKICCJJX-IINYFYTJSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000886552360 637578502 /nfs/dbraw/zinc/57/85/02/637578502.db2.gz ZWTLWKNRYJQPPH-NEPJUHHUSA-N 0 0 279.355 3.284 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H]1CCCO1 ZINC000886557136 637580112 /nfs/dbraw/zinc/58/01/12/637580112.db2.gz ULCXINIKFASXGZ-VHRBIJSZSA-N 0 0 267.344 3.140 20 10 CGCDRN CC(C)c1nnc([C@H](C)N[C@@H](C)c2c(O)cccc2F)[nH]1 ZINC000886558652 637581878 /nfs/dbraw/zinc/58/18/78/637581878.db2.gz PBJDJXCTHZOKNO-UWVGGRQHSA-N 0 0 292.358 3.185 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1c([O-])cccc1F ZINC000886588102 637595611 /nfs/dbraw/zinc/59/56/11/637595611.db2.gz LGGYRFRFDXZILN-VHSXEESVSA-N 0 0 278.302 3.477 20 10 CGCDRN C[C@@H](N[C@@H](C)c1c(O)cccc1F)C(F)(F)F ZINC000886610852 637602896 /nfs/dbraw/zinc/60/28/96/637602896.db2.gz LZGMIUPCVZQPAJ-NKWVEPMBSA-N 0 0 251.223 3.133 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1c([O-])cccc1F ZINC000886624815 637614089 /nfs/dbraw/zinc/61/40/89/637614089.db2.gz AONPFYBEEKJCPP-OPRDCNLKSA-N 0 0 255.358 3.076 20 10 CGCDRN COC1([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886627056 637616558 /nfs/dbraw/zinc/61/65/58/637616558.db2.gz RPRLEVDQCJFSSC-WDEREUQCSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1cnc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000886633612 637619099 /nfs/dbraw/zinc/61/90/99/637619099.db2.gz ZIICIHDDWMXQNJ-ZDUSSCGKSA-N 0 0 288.366 3.436 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1c([O-])cccc1F ZINC000886635019 637621022 /nfs/dbraw/zinc/62/10/22/637621022.db2.gz STHXXQNVDDRUSP-NEPJUHHUSA-N 0 0 280.387 3.055 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1c([O-])cccc1F ZINC000886651547 637631903 /nfs/dbraw/zinc/63/19/03/637631903.db2.gz JEZCPNFIMPTXDE-XFJVYGCCSA-N 0 0 279.355 3.284 20 10 CGCDRN CC[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(C)cc1O ZINC000886801879 637697417 /nfs/dbraw/zinc/69/74/17/637697417.db2.gz UQASAVSPNNSRHW-AAEUAGOBSA-N 0 0 291.313 3.055 20 10 CGCDRN CCN(Cc1ccc(C)cc1)C(=O)Cc1ccc(N)cc1 ZINC000852904858 637723158 /nfs/dbraw/zinc/72/31/58/637723158.db2.gz IDBZWRUAHWXGGC-UHFFFAOYSA-N 0 0 282.387 3.168 20 10 CGCDRN CC[C@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000853244428 637792959 /nfs/dbraw/zinc/79/29/59/637792959.db2.gz MEMKRMWJWSJUMW-KRWDZBQOSA-N 0 0 289.423 3.131 20 10 CGCDRN CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000300419423 637837949 /nfs/dbraw/zinc/83/79/49/637837949.db2.gz VZXWLUPHWUHEAU-YUSALJHKSA-N 0 0 269.385 3.466 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccns1 ZINC000889120558 637977840 /nfs/dbraw/zinc/97/78/40/637977840.db2.gz JYMYHGZDQWTNNK-UHFFFAOYSA-N 0 0 291.376 3.293 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2CCC3(CC3)CC2)cc1 ZINC000854271258 638036221 /nfs/dbraw/zinc/03/62/21/638036221.db2.gz ABLMTJIQAFRFCN-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2coc3ccccc23)cc1 ZINC000113017143 638145474 /nfs/dbraw/zinc/14/54/74/638145474.db2.gz YZCSIPCLPSUCMC-UHFFFAOYSA-N 0 0 294.354 3.429 20 10 CGCDRN COc1ccc(O)c(CNC(=O)CCCC(C)(C)C)c1 ZINC000114542442 638375193 /nfs/dbraw/zinc/37/51/93/638375193.db2.gz HWOCKEFRIRPDIP-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN COc1ccc(N(C)Cc2nccnc2C)cc1Cl ZINC000857037926 638438404 /nfs/dbraw/zinc/43/84/04/638438404.db2.gz BOHWSUZSABHRCK-UHFFFAOYSA-N 0 0 277.755 3.083 20 10 CGCDRN O=C(NCc1ccccc1O)c1cccc(C2CC2)c1 ZINC000857471475 638508763 /nfs/dbraw/zinc/50/87/63/638508763.db2.gz ABLRBVZFFLAAGZ-UHFFFAOYSA-N 0 0 267.328 3.200 20 10 CGCDRN COc1cccc(NCc2cc3c(cc2O)OCO3)c1C ZINC000858240231 638661267 /nfs/dbraw/zinc/66/12/67/638661267.db2.gz FJVQWLSZTADYBH-UHFFFAOYSA-N 0 0 287.315 3.050 20 10 CGCDRN C/C=C/C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000858290958 638673272 /nfs/dbraw/zinc/67/32/72/638673272.db2.gz KPVAXERXXNMNAO-ONEGZZNKSA-N 0 0 270.170 3.129 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(CCF)c2)cc1 ZINC000858491987 638742936 /nfs/dbraw/zinc/74/29/36/638742936.db2.gz RFXKIUSEDKJHIR-CYBMUJFWSA-N 0 0 290.386 3.482 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000927032770 638834021 /nfs/dbraw/zinc/83/40/21/638834021.db2.gz PIOQBIQRXSEHGK-SCVCMEIPSA-N 0 0 269.385 3.466 20 10 CGCDRN CCc1ncc(CN2CCCc3cc(OC)ccc32)o1 ZINC000929236199 638911199 /nfs/dbraw/zinc/91/11/99/638911199.db2.gz GVJBSJVEMQBDFZ-UHFFFAOYSA-N 0 0 272.348 3.198 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CC=CCC2)cc1 ZINC000929533869 638931483 /nfs/dbraw/zinc/93/14/83/638931483.db2.gz XUEVOUNFOINHFZ-HNNXBMFYSA-N 0 0 286.419 3.457 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858602733 639001091 /nfs/dbraw/zinc/00/10/91/639001091.db2.gz HKPWLGINAOEBSV-GFCCVEGCSA-N 0 0 278.396 3.325 20 10 CGCDRN CCCOC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000858909524 639041436 /nfs/dbraw/zinc/04/14/36/639041436.db2.gz SNMIRTXECFILBZ-UHFFFAOYSA-N 0 0 264.369 3.169 20 10 CGCDRN CC(C)c1nsc(CN[C@H](C)c2ccccc2O)n1 ZINC000931554228 639170269 /nfs/dbraw/zinc/17/02/69/639170269.db2.gz MPZWLNBCXJBZBZ-SNVBAGLBSA-N 0 0 277.393 3.218 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C12CC(C1)C2 ZINC000861560978 639594967 /nfs/dbraw/zinc/59/49/67/639594967.db2.gz AEELVMRROHPXLN-UHFFFAOYSA-N 0 0 273.376 3.321 20 10 CGCDRN C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862025830 639635322 /nfs/dbraw/zinc/63/53/22/639635322.db2.gz BGLUCABXXROHEH-KZULUSFZSA-N 0 0 298.386 3.383 20 10 CGCDRN CCC/C(C)=C\C(=O)NCc1ccc2cccnc2c1O ZINC000862028157 639635992 /nfs/dbraw/zinc/63/59/92/639635992.db2.gz RNFMRDDFTYGKBH-BENRWUELSA-N 0 0 284.359 3.303 20 10 CGCDRN CCc1nc(-c2ccc(N(C)C)cc2)sc1C(=O)OC ZINC000158345090 640000719 /nfs/dbraw/zinc/00/07/19/640000719.db2.gz DYEOXKWHAAZTBS-UHFFFAOYSA-N 0 0 290.388 3.225 20 10 CGCDRN Cc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1F ZINC000159013521 640026147 /nfs/dbraw/zinc/02/61/47/640026147.db2.gz RFVFHYZOUQOMTQ-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(F)cc1[O-] ZINC000187868046 640102697 /nfs/dbraw/zinc/10/26/97/640102697.db2.gz NVKPHNQTXYUWQK-JQWIXIFHSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000075544815 640142355 /nfs/dbraw/zinc/14/23/55/640142355.db2.gz PBRSXSXMAMSURD-ZIAGYGMSSA-N 0 0 289.423 3.083 20 10 CGCDRN C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000075544813 640143053 /nfs/dbraw/zinc/14/30/53/640143053.db2.gz PBRSXSXMAMSURD-KGLIPLIRSA-N 0 0 289.423 3.083 20 10 CGCDRN C[C@H](C1CC1)n1cc(NCc2cc(F)ccc2O)cn1 ZINC000189751384 640206331 /nfs/dbraw/zinc/20/63/31/640206331.db2.gz USECCLNMPNXCPA-SNVBAGLBSA-N 0 0 275.327 3.311 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NCC2CCC2)cc1 ZINC000080019084 640444143 /nfs/dbraw/zinc/44/41/43/640444143.db2.gz ZQYRRDRZMXRZAA-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN O=Cc1c[nH]nc1C=Cc1ccc(N2CCCCC2)cc1 ZINC000098125581 640899321 /nfs/dbraw/zinc/89/93/21/640899321.db2.gz UANQSANADUIHQX-RMKNXTFCSA-N 0 0 281.359 3.383 20 10 CGCDRN Oc1cc2c(cc1O)CN(c1cc(Cl)ccn1)CCC2 ZINC001155933006 805626939 /nfs/dbraw/zinc/62/69/39/805626939.db2.gz GVPCIYBCAMHODY-UHFFFAOYSA-N 0 0 290.750 3.099 20 10 CGCDRN Oc1ccc(CNc2nccc3ccccc32)cc1O ZINC001158993994 806027234 /nfs/dbraw/zinc/02/72/34/806027234.db2.gz BCKYGAQLZOQCLL-UHFFFAOYSA-N 0 0 266.300 3.258 20 10 CGCDRN CCc1ccc(-c2nnc(-c3ccc(O)c(O)c3)o2)cc1 ZINC001252953841 806139722 /nfs/dbraw/zinc/13/97/22/806139722.db2.gz LLHYZJUKFITIRY-UHFFFAOYSA-N 0 0 282.299 3.377 20 10 CGCDRN Cc1cccc(CNc2nccnc2OC2CCC2)c1O ZINC001160771172 806301115 /nfs/dbraw/zinc/30/11/15/806301115.db2.gz NBRVXNUZMQCGQS-UHFFFAOYSA-N 0 0 285.347 3.034 20 10 CGCDRN Cc1nc2ccc(NCc3c(C)cc(C)cc3O)nc2n1C ZINC001160809937 806306291 /nfs/dbraw/zinc/30/62/91/806306291.db2.gz FFTTUKZLMMUDTR-UHFFFAOYSA-N 0 0 296.374 3.211 20 10 CGCDRN COc1cc(NCc2c(C)cc(C)cc2O)nc(OC)c1 ZINC001160810970 806306449 /nfs/dbraw/zinc/30/64/49/806306449.db2.gz YJSOPWWZKTXXCQ-UHFFFAOYSA-N 0 0 288.347 3.033 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC1CCOCC1 ZINC001254196319 806363643 /nfs/dbraw/zinc/36/36/43/806363643.db2.gz GGKXDWWTANAVNG-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN Nc1ccc(CNc2ccc3c(Cl)ccnc3n2)cc1 ZINC001162785929 806665749 /nfs/dbraw/zinc/66/57/49/806665749.db2.gz PXKKTDDKLSOWOU-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN Cc1ccc(C(=O)NC2(c3ccccc3C)CC2)c(O)c1O ZINC001162943465 806686491 /nfs/dbraw/zinc/68/64/91/806686491.db2.gz QXZQAIQJNCOEGB-UHFFFAOYSA-N 0 0 297.354 3.134 20 10 CGCDRN CC(=O)c1cc(F)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000037322464 798866656 /nfs/dbraw/zinc/86/66/56/798866656.db2.gz GQLIHQRCBJGGJZ-GHMZBOCLSA-N 0 0 279.355 3.212 20 10 CGCDRN Cc1ccccc1SCC(=O)Nc1ccc(N)cc1 ZINC000037665665 798871804 /nfs/dbraw/zinc/87/18/04/798871804.db2.gz LYORGAYGMQTOFU-UHFFFAOYSA-N 0 0 272.373 3.308 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cc(C#N)ccc2F)cc1 ZINC000053906511 798899197 /nfs/dbraw/zinc/89/91/97/798899197.db2.gz HVHMWWHOKNTWGN-UHFFFAOYSA-N 0 0 297.377 3.395 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(F)c(Cl)cc1F ZINC000161404119 799079274 /nfs/dbraw/zinc/07/92/74/799079274.db2.gz YSINZTKQSCPTGW-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)c2ccccc2F)cc1 ZINC000234966729 799144286 /nfs/dbraw/zinc/14/42/86/799144286.db2.gz PFXWKNOPLOGRQK-INIZCTEOSA-N 0 0 275.323 3.004 20 10 CGCDRN Cc1cc(C)c(OCC(=O)N(C)c2ccc(N)cc2)c(C)c1 ZINC000316624474 799242057 /nfs/dbraw/zinc/24/20/57/799242057.db2.gz MDIRWSZNEFAXNO-UHFFFAOYSA-N 0 0 298.386 3.236 20 10 CGCDRN Nc1ccc(Cc2nc([C@@H]3CCC(F)(F)C3)no2)cc1 ZINC000379598377 799350758 /nfs/dbraw/zinc/35/07/58/799350758.db2.gz YCRQACIRGGDSHK-SNVBAGLBSA-N 0 0 279.290 3.145 20 10 CGCDRN CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000381430245 799379771 /nfs/dbraw/zinc/37/97/71/799379771.db2.gz BFTQXQZEUSEWCD-WDEREUQCSA-N 0 0 257.786 3.029 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])[C@H]1C ZINC000390501792 799472328 /nfs/dbraw/zinc/47/23/28/799472328.db2.gz UZXLZFCKHJXKBS-PTRXPTGYSA-N 0 0 284.197 3.289 20 10 CGCDRN CC[C@@H](NCc1nn(C)cc1Cl)c1ccccc1O ZINC000393330576 799486588 /nfs/dbraw/zinc/48/65/88/799486588.db2.gz RBYPMGGUMRJRNQ-GFCCVEGCSA-N 0 0 279.771 3.020 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1O ZINC000397886605 799523339 /nfs/dbraw/zinc/52/33/39/799523339.db2.gz MYCJEHGQMYIJQD-DRZSPHRISA-N 0 0 251.395 3.184 20 10 CGCDRN C[C@@H]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC000398094403 799525499 /nfs/dbraw/zinc/52/54/99/799525499.db2.gz ZVZVIVXFZWEYFD-LDYMZIIASA-N 0 0 290.190 3.356 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)ccc2O)[C@@H](C)CO1 ZINC000403863307 799572493 /nfs/dbraw/zinc/57/24/93/799572493.db2.gz ZXHZBJGGLWCBMZ-GWCFXTLKSA-N 0 0 269.772 3.045 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCCCCCC1 ZINC000588403548 799688706 /nfs/dbraw/zinc/68/87/06/799688706.db2.gz QATSMSAHAXAEMV-LUAWRHEFSA-N 0 0 289.375 3.340 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406056 799689292 /nfs/dbraw/zinc/68/92/92/799689292.db2.gz BQQNKMMYIJWWGN-XZPUFVBZSA-N 0 0 289.375 3.054 20 10 CGCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 ZINC000588403356 799689436 /nfs/dbraw/zinc/68/94/36/799689436.db2.gz FLJWVJXBWNWOGF-DAXSKMNVSA-N 0 0 287.290 3.197 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(F)cc1[O-] ZINC000688885153 799757555 /nfs/dbraw/zinc/75/75/55/799757555.db2.gz SLIVOWDEKXAJLQ-NQBHXWOUSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000693908963 799818224 /nfs/dbraw/zinc/81/82/24/799818224.db2.gz CLBNUSQITYOUBW-WCQYABFASA-N 0 0 280.387 3.055 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CC=CCC2)ccc(F)c1F ZINC000700766091 799878257 /nfs/dbraw/zinc/87/82/57/799878257.db2.gz VQHMSVKAWQCWNJ-SNVBAGLBSA-N 0 0 253.292 3.116 20 10 CGCDRN CN(CC[C@@H]1CC1(Cl)Cl)c1ccc(N)cc1 ZINC000702070119 799903884 /nfs/dbraw/zinc/90/38/84/799903884.db2.gz JZHJLLHKWZETNR-SECBINFHSA-N 0 0 259.180 3.289 20 10 CGCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(F)F ZINC000703213111 799920084 /nfs/dbraw/zinc/92/00/84/799920084.db2.gz GRMCHBUDMFHLOR-ZETCQYMHSA-N 0 0 265.250 3.051 20 10 CGCDRN CC(C)OC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703439966 799924379 /nfs/dbraw/zinc/92/43/79/799924379.db2.gz VTLPZYFKLKVIMW-UHFFFAOYSA-N 0 0 285.334 3.060 20 10 CGCDRN COC1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000703836008 799931720 /nfs/dbraw/zinc/93/17/20/799931720.db2.gz NVNVSIWZQGSEFA-PKSQDBQZSA-N 0 0 267.344 3.140 20 10 CGCDRN CCC[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])OCC ZINC000707839626 799979640 /nfs/dbraw/zinc/97/96/40/799979640.db2.gz WZVKMRLASGNESI-GFCCVEGCSA-N 0 0 271.788 3.340 20 10 CGCDRN CCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708138085 799983754 /nfs/dbraw/zinc/98/37/54/799983754.db2.gz HKSTYDGIBHJABG-UHFFFAOYSA-N 0 0 278.577 3.308 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000708495432 799991023 /nfs/dbraw/zinc/99/10/23/799991023.db2.gz AWPUCSQBMYKKEA-XHDPSFHLSA-N 0 0 267.319 3.340 20 10 CGCDRN CC(C)(C)[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000709000230 800001128 /nfs/dbraw/zinc/00/11/28/800001128.db2.gz LVCRJGBWXBDFDN-CYBMUJFWSA-N 0 0 283.799 3.293 20 10 CGCDRN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC(C)(C)C1 ZINC000709391731 800008025 /nfs/dbraw/zinc/00/80/25/800008025.db2.gz IHRNXBHSTNNPGD-WDEREUQCSA-N 0 0 277.364 3.042 20 10 CGCDRN CCOC(=O)c1ncc(CSc2nccs2)s1 ZINC000711480872 800063458 /nfs/dbraw/zinc/06/34/58/800063458.db2.gz OOANLLWYDCHHBE-UHFFFAOYSA-N 0 0 286.403 3.069 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC12CC2 ZINC000715355364 800133988 /nfs/dbraw/zinc/13/39/88/800133988.db2.gz OKNQHZKEWMYLTB-SNVBAGLBSA-N 0 0 258.148 3.341 20 10 CGCDRN CC[NH+](CC)Cc1cc(Br)cc(F)c1[O-] ZINC000715701073 800144696 /nfs/dbraw/zinc/14/46/96/800144696.db2.gz BTPUGZHILRSALA-UHFFFAOYSA-N 0 0 276.149 3.136 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccc(F)cc1[O-] ZINC000717274610 800199261 /nfs/dbraw/zinc/19/92/61/800199261.db2.gz SAMUZXVHLVROTG-AAEUAGOBSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H](NCc1ncc(Cl)s1)c1cc(F)ccc1O ZINC000719400673 800238338 /nfs/dbraw/zinc/23/83/38/800238338.db2.gz ATKUTOKBVBPCGP-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722318075 800312909 /nfs/dbraw/zinc/31/29/09/800312909.db2.gz CAFUHOMCLNJMBP-TZMCWYRMSA-N 0 0 281.783 3.093 20 10 CGCDRN O=C(CCc1ccco1)Nc1c2nonc2ccc1Cl ZINC001256175235 806843870 /nfs/dbraw/zinc/84/38/70/806843870.db2.gz IDRUKMIPIWZYCB-UHFFFAOYSA-N 0 0 291.694 3.041 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1cc(F)cc(F)c1O ZINC001116588664 802382597 /nfs/dbraw/zinc/38/25/97/802382597.db2.gz JPSPOOADRQNRFS-ZETCQYMHSA-N 0 0 281.306 3.194 20 10 CGCDRN Cc1coc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC001117133130 802435319 /nfs/dbraw/zinc/43/53/19/802435319.db2.gz ANMXQNHHVPBDJZ-UHFFFAOYSA-N 0 0 298.386 3.209 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1Cc2ccccc21 ZINC001117507306 802468589 /nfs/dbraw/zinc/46/85/89/802468589.db2.gz HGKKIBAHJIQJTO-JTQLQIEISA-N 0 0 299.717 3.155 20 10 CGCDRN c1c(CNCc2ccc(N3CCCC3)cc2)onc1C1CC1 ZINC001119440535 802664881 /nfs/dbraw/zinc/66/48/81/802664881.db2.gz NWXNIEPOFUDMOY-UHFFFAOYSA-N 0 0 297.402 3.442 20 10 CGCDRN CCC[C@@H]1CCCN1c1nnc(C2SC=CC2=O)n1C ZINC001121273342 802826413 /nfs/dbraw/zinc/82/64/13/802826413.db2.gz FWZANUJZNFFXOR-SNVBAGLBSA-N 0 0 292.408 3.018 20 10 CGCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)NC(=O)C3=O)cc1 ZINC001201498723 811868057 /nfs/dbraw/zinc/86/80/57/811868057.db2.gz DNEZSZHXZRTRAC-UHFFFAOYSA-N 0 0 295.342 3.385 20 10 CGCDRN Cc1cc(C)c(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001244151615 803212203 /nfs/dbraw/zinc/21/22/03/803212203.db2.gz XOCUJMSTQOIRBJ-UHFFFAOYSA-N 0 0 264.328 3.217 20 10 CGCDRN Cc1cc(C)c(N)c(-c2ccc3ccc(=O)n(C)c3c2)c1 ZINC001244613900 803464959 /nfs/dbraw/zinc/46/49/59/803464959.db2.gz KQLKJVOKIJVRBR-UHFFFAOYSA-N 0 0 278.355 3.405 20 10 CGCDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136600808 803647518 /nfs/dbraw/zinc/64/75/18/803647518.db2.gz FODQLQPCKOOKAB-KGLIPLIRSA-N 0 0 291.391 3.115 20 10 CGCDRN COc1ccc(N(C)C(=O)C2=CC(=O)CS2)cc1Cl ZINC001137381089 803726926 /nfs/dbraw/zinc/72/69/26/803726926.db2.gz IIIDCYNNZONGQV-UHFFFAOYSA-N 0 0 297.763 3.392 20 10 CGCDRN Cc1cc(C)nc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001137667203 803755127 /nfs/dbraw/zinc/75/51/27/803755127.db2.gz VMGFZDCFQLVUNH-UHFFFAOYSA-N 0 0 297.318 3.113 20 10 CGCDRN Cn1ccc2ccc(-c3cnc4c(cnn4C)c3)cc21 ZINC001245473143 803757621 /nfs/dbraw/zinc/75/76/21/803757621.db2.gz SEMGXRLRKCXKCL-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN Cc1cc2c(cccc2-c2cnc3c(cnn3C)c2)n1C ZINC001245476216 803760070 /nfs/dbraw/zinc/76/00/70/803760070.db2.gz XIZJVFYDARLEHH-UHFFFAOYSA-N 0 0 276.343 3.435 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137832019 803777213 /nfs/dbraw/zinc/77/72/13/803777213.db2.gz XCPXPUWKKWAZPN-JTQLQIEISA-N 0 0 273.298 3.399 20 10 CGCDRN Cc1c(C[N@@H+]2CCC(=O)C(C)(C)C2)c2ccccc2n1C ZINC001138258325 803885497 /nfs/dbraw/zinc/88/54/97/803885497.db2.gz QBPDJFCRFHPGSL-UHFFFAOYSA-N 0 0 284.403 3.288 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC001138363585 803904105 /nfs/dbraw/zinc/90/41/05/803904105.db2.gz OQXQNANJUFDZHM-UONOGXRCSA-N 0 0 297.402 3.129 20 10 CGCDRN CCN(CC)c1ccc(C[N@H+](C)C2CC2)c(OC)c1 ZINC001138386228 803912777 /nfs/dbraw/zinc/91/27/77/803912777.db2.gz KICMKYVMVNFSCG-UHFFFAOYSA-N 0 0 262.397 3.136 20 10 CGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+](C(C)C)C(C)C ZINC001139126204 804133974 /nfs/dbraw/zinc/13/39/74/804133974.db2.gz AGGSLOFOAWREAC-UHFFFAOYSA-N 0 0 289.375 3.426 20 10 CGCDRN C[C@@]1(CF)CC(F)(F)CN1Cc1c(F)ccc(F)c1[O-] ZINC001139684596 804251539 /nfs/dbraw/zinc/25/15/39/804251539.db2.gz JTRNEOGVHNGPSX-LBPRGKRZSA-N 0 0 295.251 3.240 20 10 CGCDRN Cc1cc(Cl)ccc1-c1noc(-c2csnn2)n1 ZINC001212362708 815010385 /nfs/dbraw/zinc/01/03/85/815010385.db2.gz XROPFEDSLLXQBA-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN CCC[C@H](C)CC(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001140198820 804400788 /nfs/dbraw/zinc/40/07/88/804400788.db2.gz USBPKMRRIWRJPX-LBPRGKRZSA-N 0 0 284.396 3.320 20 10 CGCDRN C[N@H+](Cc1cccc(O)c1)Cc1ccc(Cl)cc1O ZINC001140461040 804441534 /nfs/dbraw/zinc/44/15/34/804441534.db2.gz CGIKAAONOXIHIR-UHFFFAOYSA-N 0 0 277.751 3.383 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583109 804466339 /nfs/dbraw/zinc/46/63/39/804466339.db2.gz WHYITUMRAYRPPH-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN Cc1snnc1-c1nc(-c2cc(F)c(C)cc2F)no1 ZINC001212404973 815020494 /nfs/dbraw/zinc/02/04/94/815020494.db2.gz CZDGDSZTHJHSIP-UHFFFAOYSA-N 0 0 294.286 3.150 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(Cl)c1 ZINC001140922244 804548551 /nfs/dbraw/zinc/54/85/51/804548551.db2.gz LQJMFVCUSMCBNI-CYBMUJFWSA-N 0 0 296.842 3.000 20 10 CGCDRN CCCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924150 804551126 /nfs/dbraw/zinc/55/11/26/804551126.db2.gz NAPFOLYVQKZGFN-OAHLLOKOSA-N 0 0 296.842 3.407 20 10 CGCDRN Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)c(O)c1 ZINC001140951053 804558952 /nfs/dbraw/zinc/55/89/52/804558952.db2.gz WHPOJMDCVRRYIM-ZDUSSCGKSA-N 0 0 274.389 3.494 20 10 CGCDRN CN(Cc1ccc(F)cc1F)Cc1cc(O)ccc1O ZINC001141160983 804601528 /nfs/dbraw/zinc/60/15/28/804601528.db2.gz LPRXQLRQQLDDNQ-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN Oc1ccc(O)c(CN2CCc3cccc(Cl)c3C2)c1 ZINC001141160799 804601859 /nfs/dbraw/zinc/60/18/59/804601859.db2.gz JAWRPZFKBPSOMN-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN CC(C)N(CC(=O)c1ccccc1)Cc1cc(O)ccc1O ZINC001141161229 804602060 /nfs/dbraw/zinc/60/20/60/804602060.db2.gz PLVZHHKUWOHKHC-UHFFFAOYSA-N 0 0 299.370 3.191 20 10 CGCDRN C[C@@H]1CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367865 804633976 /nfs/dbraw/zinc/63/39/76/804633976.db2.gz UUCWXQMULHKNCG-SSDOTTSWSA-N 0 0 290.588 3.402 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(F)c(F)cc1[O-] ZINC001142501845 804726028 /nfs/dbraw/zinc/72/60/28/804726028.db2.gz BXMAFXHREBVZAQ-NXEZZACHSA-N 0 0 255.308 3.433 20 10 CGCDRN C[C@@H]1c2cccn2CCN1Cc1cc(F)c(F)cc1O ZINC001142527534 804733103 /nfs/dbraw/zinc/73/31/03/804733103.db2.gz YFCRCELQDOIAQZ-SNVBAGLBSA-N 0 0 278.302 3.049 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CC2(C1)CCCCC2 ZINC001142527556 804733496 /nfs/dbraw/zinc/73/34/96/804733496.db2.gz ZAOXSVSEUBTXKQ-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN CC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527059 804733830 /nfs/dbraw/zinc/73/38/30/804733830.db2.gz IYIFYYWDAYBYNR-SNVBAGLBSA-N 0 0 255.308 3.292 20 10 CGCDRN CC(C)(C)c1cccc(CN2CCC(=O)C(F)(F)C2)c1O ZINC001143112008 804804335 /nfs/dbraw/zinc/80/43/35/804804335.db2.gz ITLPABHYYIOYGW-UHFFFAOYSA-N 0 0 297.345 3.100 20 10 CGCDRN CCN(Cc1cccc(C(C)(C)C)c1O)[C@@H](C)C(=O)OC ZINC001143116770 804804924 /nfs/dbraw/zinc/80/49/24/804804924.db2.gz KGFPWFQNROVJPX-LBPRGKRZSA-N 0 0 293.407 3.073 20 10 CGCDRN CC(=O)OCc1cc(N(C)c2ccc(N)cc2)ccc1C ZINC001248586366 804957687 /nfs/dbraw/zinc/95/76/87/804957687.db2.gz RWGHWEVRVJPBNK-UHFFFAOYSA-N 0 0 284.359 3.408 20 10 CGCDRN CC(C)[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144299515 804970622 /nfs/dbraw/zinc/97/06/22/804970622.db2.gz YYWIQXHNERPBSH-UHFFFAOYSA-N 0 0 276.149 3.134 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(CCCO)n2)cc1 ZINC001249206701 805113144 /nfs/dbraw/zinc/11/31/44/805113144.db2.gz GOPNTWFYYYMAOU-UHFFFAOYSA-N 0 0 297.358 3.069 20 10 CGCDRN CC(C)(C)c1ccc(C(=O)NCc2ccccc2O)cn1 ZINC001147804842 805151096 /nfs/dbraw/zinc/15/10/96/805151096.db2.gz KDEWDEWFUQSTFG-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN C[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1O ZINC001151899169 805321013 /nfs/dbraw/zinc/32/10/13/805321013.db2.gz AOGSTGVULHFMFT-YLSINNKHSA-N 0 0 267.328 3.283 20 10 CGCDRN Cc1cc(N(C)c2ccc(N)cc2)c(C)cc1CO ZINC001250063583 805397700 /nfs/dbraw/zinc/39/77/00/805397700.db2.gz KPNSSPKCEVWUKP-UHFFFAOYSA-N 0 0 256.349 3.146 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cc3ncccc3o2)c(O)c1 ZINC001153704826 805411964 /nfs/dbraw/zinc/41/19/64/805411964.db2.gz MPRPWBQVBCPABW-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN CC1(C)CCCC[C@H]1CC(=O)NCc1cc(O)ccc1O ZINC001153884718 805419345 /nfs/dbraw/zinc/41/93/45/805419345.db2.gz GNKFZKYUASXEGT-ZDUSSCGKSA-N 0 0 291.391 3.321 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc(OC)cc1Cl ZINC001154888370 805504390 /nfs/dbraw/zinc/50/43/90/805504390.db2.gz BCFGBPWDKJCJKH-UHFFFAOYSA-N 0 0 292.766 3.476 20 10 CGCDRN CCN(Cc1ccccc1O)c1nc(C)c(Cl)c(C)n1 ZINC001154888927 805504745 /nfs/dbraw/zinc/50/47/45/805504745.db2.gz KSCKZYZKARGEAO-UHFFFAOYSA-N 0 0 291.782 3.479 20 10 CGCDRN CNc1ccccc1NCc1cc(Br)no1 ZINC001167502916 807201242 /nfs/dbraw/zinc/20/12/42/807201242.db2.gz GXRJHWYRDPBMIW-UHFFFAOYSA-N 0 0 282.141 3.091 20 10 CGCDRN Oc1cccc(Nc2ccc(Cn3ccnc3)cc2)c1O ZINC001212696831 815106714 /nfs/dbraw/zinc/10/67/14/815106714.db2.gz OVVILAQJGWKACV-UHFFFAOYSA-N 0 0 281.315 3.086 20 10 CGCDRN Cc1ccc(C)c(NCCc2cc(O)c(O)cc2O)c1 ZINC001168005553 807299012 /nfs/dbraw/zinc/29/90/12/807299012.db2.gz JRFCEYAABHHJHY-UHFFFAOYSA-N 0 0 273.332 3.075 20 10 CGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001261140000 807711911 /nfs/dbraw/zinc/71/19/11/807711911.db2.gz FLZMOQVAQGHNFV-RMLUDKJBSA-N 0 0 293.754 3.497 20 10 CGCDRN Cc1cc(Cl)nc(C)c1NCc1ccc(O)c(O)c1 ZINC001169995166 807736660 /nfs/dbraw/zinc/73/66/60/807736660.db2.gz REZQRMOOMMIBPY-UHFFFAOYSA-N 0 0 278.739 3.375 20 10 CGCDRN CCCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(CC)cc1 ZINC001273141796 808835084 /nfs/dbraw/zinc/83/50/84/808835084.db2.gz CLXRZHBNGAGGAP-FLIBITNWSA-N 0 0 297.402 3.439 20 10 CGCDRN CCOc1ccc(Nc2cccc(O)c2O)c(OC)c1 ZINC001213119206 815240017 /nfs/dbraw/zinc/24/00/17/815240017.db2.gz SFLIHUSKZBZYFL-UHFFFAOYSA-N 0 0 275.304 3.249 20 10 CGCDRN COC(=O)c1c(C)cc(Nc2cccc(O)c2O)cc1C ZINC001213123936 815241683 /nfs/dbraw/zinc/24/16/83/815241683.db2.gz OXJWHPNIGHORNY-UHFFFAOYSA-N 0 0 287.315 3.245 20 10 CGCDRN CN(c1cnn(Cc2ccccc2)c1)c1ccc(N)cc1 ZINC001174133997 808884039 /nfs/dbraw/zinc/88/40/39/808884039.db2.gz DSRPHFPSWOIXIJ-UHFFFAOYSA-N 0 0 278.359 3.282 20 10 CGCDRN CCOC(=O)c1ccccc1N(C)c1ccc(N)cc1 ZINC001213176838 815250788 /nfs/dbraw/zinc/25/07/88/815250788.db2.gz CZQJGKLMTRBDJF-UHFFFAOYSA-N 0 0 270.332 3.213 20 10 CGCDRN CCOc1ccc(Nc2cccc(O)c2O)cc1F ZINC001175068847 809258521 /nfs/dbraw/zinc/25/85/21/809258521.db2.gz MGLUGGFHFVGKTF-UHFFFAOYSA-N 0 0 263.268 3.379 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc(Cl)c(F)c2)cc1 ZINC001175205261 809306728 /nfs/dbraw/zinc/30/67/28/809306728.db2.gz ICHWZINUHKYPLF-UHFFFAOYSA-N 0 0 280.730 3.192 20 10 CGCDRN CC(=O)c1ccc(F)c(Nc2cccc(O)c2O)c1 ZINC001175276150 809336292 /nfs/dbraw/zinc/33/62/92/809336292.db2.gz OFVYEDOWTCPRFK-UHFFFAOYSA-N 0 0 261.252 3.183 20 10 CGCDRN CSc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001290498766 809408560 /nfs/dbraw/zinc/40/85/60/809408560.db2.gz CZDLUNUAXOOHMG-UHFFFAOYSA-N 0 0 289.356 3.001 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cccc2c1CCCC2 ZINC001290500083 809409042 /nfs/dbraw/zinc/40/90/42/809409042.db2.gz YSDMMUKOWOFBTE-UHFFFAOYSA-N 0 0 297.354 3.158 20 10 CGCDRN COc1cccc(NC(=O)C2=CC(=O)CS2)c1C ZINC001300815899 809574599 /nfs/dbraw/zinc/57/45/99/809574599.db2.gz LWJMDNUJERUJPK-UHFFFAOYSA-N 0 0 263.318 3.023 20 10 CGCDRN O=C(Cc1ccc(Cl)cc1)N1Cc2cccc(O)c2C1 ZINC001302787427 809601123 /nfs/dbraw/zinc/60/11/23/809601123.db2.gz NDQBBGIUJVDOHC-UHFFFAOYSA-N 0 0 287.746 3.131 20 10 CGCDRN C[C@H](CC1CCCCC1)C(=O)NCc1cc(O)ccc1O ZINC001303228584 809606351 /nfs/dbraw/zinc/60/63/51/809606351.db2.gz WSYNZZQUPVIIDW-GFCCVEGCSA-N 0 0 291.391 3.321 20 10 CGCDRN COc1ccc(N(c2ncc[nH]2)c2ccc(N)cc2)cc1 ZINC001176085750 809620628 /nfs/dbraw/zinc/62/06/28/809620628.db2.gz XECPGYLPRQBHQM-UHFFFAOYSA-N 0 0 280.331 3.470 20 10 CGCDRN COCOc1ccc(Nc2ccc(N)cc2)cc1F ZINC001176190044 809644393 /nfs/dbraw/zinc/64/43/93/809644393.db2.gz VVLSEWXSUZMLCS-UHFFFAOYSA-N 0 0 262.284 3.134 20 10 CGCDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccsc2)cc1 ZINC001180122399 809975801 /nfs/dbraw/zinc/97/58/01/809975801.db2.gz WIRRRKOVTVRLTO-VMPITWQZSA-N 0 0 272.373 3.466 20 10 CGCDRN Cc1occc1C[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001180173859 809981539 /nfs/dbraw/zinc/98/15/39/809981539.db2.gz HIXUDQGXMMRUMT-UHFFFAOYSA-N 0 0 267.275 3.204 20 10 CGCDRN O=C(CCC(F)=C(F)F)N1CCc2cccc(O)c2C1 ZINC001180279161 809988860 /nfs/dbraw/zinc/98/88/60/809988860.db2.gz VXARQJSSCDXTIU-UHFFFAOYSA-N 0 0 285.265 3.135 20 10 CGCDRN Cc1ccc(CN2CCc3c2cccc3F)c(O)c1 ZINC001180611857 810014034 /nfs/dbraw/zinc/01/40/34/810014034.db2.gz FJWUFMPFXSBISU-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1nn(C)cc1Cl ZINC001180716050 810019415 /nfs/dbraw/zinc/01/94/15/810019415.db2.gz MZHSJUVBBUXOQZ-UHFFFAOYSA-N 0 0 291.782 3.035 20 10 CGCDRN CN(Cc1cccc(Cl)c1O)c1cccc(O)c1 ZINC001182882128 810129094 /nfs/dbraw/zinc/12/90/94/810129094.db2.gz RGOBKXBGOPSZOH-UHFFFAOYSA-N 0 0 263.724 3.388 20 10 CGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])CCO1 ZINC001184374277 810196707 /nfs/dbraw/zinc/19/67/07/810196707.db2.gz LFMCNSRJKQIVIR-CQSZACIVSA-N 0 0 299.361 3.307 20 10 CGCDRN Cc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1O ZINC001185112972 810236927 /nfs/dbraw/zinc/23/69/27/810236927.db2.gz XPMDNBCPEVUGJA-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN Cc1ccccc1CC1(C(=O)NCc2ccccc2O)CC1 ZINC001185191978 810244175 /nfs/dbraw/zinc/24/41/75/810244175.db2.gz LCPBEEWARIALFA-UHFFFAOYSA-N 0 0 295.382 3.340 20 10 CGCDRN Cc1cccc(CNC(=O)N[C@@H](C)C2CCCCC2)c1O ZINC001186407750 810336599 /nfs/dbraw/zinc/33/65/99/810336599.db2.gz JFCZVPBYQIYJPM-ZDUSSCGKSA-N 0 0 290.407 3.469 20 10 CGCDRN CCc1nccc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001186731673 810359008 /nfs/dbraw/zinc/35/90/08/810359008.db2.gz VMNBRNUHQQUYQP-AWEZNQCLSA-N 0 0 298.434 3.457 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1[nH]cc(C)c1C ZINC001191155130 810683595 /nfs/dbraw/zinc/68/35/95/810683595.db2.gz KWRDLNYEPINFMG-UHFFFAOYSA-N 0 0 299.418 3.360 20 10 CGCDRN O=C(NCc1cc2ccccc2cc1O)Nc1ccccn1 ZINC001191357726 810705016 /nfs/dbraw/zinc/70/50/16/810705016.db2.gz MWGBHMIRAIDIQW-UHFFFAOYSA-N 0 0 293.326 3.262 20 10 CGCDRN CCCC1CCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193225634 810865547 /nfs/dbraw/zinc/86/55/47/810865547.db2.gz QCLCULZUEHBOQI-UHFFFAOYSA-N 0 0 297.782 3.404 20 10 CGCDRN CC(C)(CNC(=O)c1cc(O)c([O-])c(Cl)c1)CC1CC1 ZINC001193633868 810923949 /nfs/dbraw/zinc/92/39/49/810923949.db2.gz JOIVOTQQJMMTTC-UHFFFAOYSA-N 0 0 297.782 3.307 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)[nH]1 ZINC001193906732 810976612 /nfs/dbraw/zinc/97/66/12/810976612.db2.gz RDWOWLQQHUMQSN-UHFFFAOYSA-N 0 0 285.391 3.051 20 10 CGCDRN Oc1cccc(Nc2cc(F)c(O)c(Cl)c2)c1O ZINC001214488481 815417437 /nfs/dbraw/zinc/41/74/37/815417437.db2.gz FRILNCKGKFGWLA-UHFFFAOYSA-N 0 0 269.659 3.340 20 10 CGCDRN C[C@@H](NC(=O)OCC(C)(C)C)c1ccccc1O ZINC001194404034 811068270 /nfs/dbraw/zinc/06/82/70/811068270.db2.gz LXRMNEXIGYSDDZ-SNVBAGLBSA-N 0 0 251.326 3.226 20 10 CGCDRN CN(C)c1ccc(CNC(=O)Oc2ccc(F)cc2)cc1 ZINC001195060936 811192505 /nfs/dbraw/zinc/19/25/05/811192505.db2.gz PRUVZIXSJSNRMD-UHFFFAOYSA-N 0 0 288.322 3.180 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2ccc(C3CC3)cn2)c(O)c1 ZINC001195624609 811271443 /nfs/dbraw/zinc/27/14/43/811271443.db2.gz PBYZLNOLZGNGLI-UHFFFAOYSA-N 0 0 296.370 3.211 20 10 CGCDRN Cc1ccc(NC(=S)NCc2cccc(C)c2O)cc1 ZINC001197949693 811467388 /nfs/dbraw/zinc/46/73/88/811467388.db2.gz GGFZECQMCXZCLE-UHFFFAOYSA-N 0 0 286.400 3.496 20 10 CGCDRN Cc1cccc(CNC(=S)Nc2ccccc2C)c1O ZINC001198448157 811503901 /nfs/dbraw/zinc/50/39/01/811503901.db2.gz HBQSKYFRUUHXEH-UHFFFAOYSA-N 0 0 286.400 3.496 20 10 CGCDRN Cc1cccc(NC(=S)NCc2nc(C)ccc2F)c1 ZINC001198703274 811537798 /nfs/dbraw/zinc/53/77/98/811537798.db2.gz FIRKKWVGAQNZBV-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN Cc1cccc(CNC(=S)NCC2CCCCC2)c1O ZINC001199931926 811616198 /nfs/dbraw/zinc/61/61/98/811616198.db2.gz BBLVQHORRCTZJV-UHFFFAOYSA-N 0 0 292.448 3.245 20 10 CGCDRN Cc1cccc(Cl)c1NC(=S)NCc1cccn1C ZINC001200199657 811644651 /nfs/dbraw/zinc/64/46/51/811644651.db2.gz GQCNQIIOKVBHHE-UHFFFAOYSA-N 0 0 293.823 3.474 20 10 CGCDRN Fc1ccnc(CNC(=S)Nc2ccccc2Cl)c1 ZINC001200865132 811758132 /nfs/dbraw/zinc/75/81/32/811758132.db2.gz AXEWMHQDDLBWAJ-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN O=C(Nc1ccccc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001201953683 811982104 /nfs/dbraw/zinc/98/21/04/811982104.db2.gz WOBQGWNZXSFJEW-UHFFFAOYSA-N 0 0 298.342 3.078 20 10 CGCDRN Cc1cc(C)c(CNC(=O)Nc2cccc(F)c2)c(O)c1 ZINC001202233942 812047157 /nfs/dbraw/zinc/04/71/57/812047157.db2.gz KNKHABVDJWCYEQ-UHFFFAOYSA-N 0 0 288.322 3.470 20 10 CGCDRN Cc1cccc(NC(=O)N2CCc3cccc(O)c3C2)c1 ZINC001202312823 812061303 /nfs/dbraw/zinc/06/13/03/812061303.db2.gz QYVNYDJECVWIJU-UHFFFAOYSA-N 0 0 282.343 3.291 20 10 CGCDRN COc1cncc(NCc2c(O)cccc2Cl)c1 ZINC001203339957 812315416 /nfs/dbraw/zinc/31/54/16/812315416.db2.gz RUYALQWEVULNRG-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN CSc1ccc(F)cc1N(CCO)c1ccc(N)cc1 ZINC001215450780 815520751 /nfs/dbraw/zinc/52/07/51/815520751.db2.gz GKDGTVJIMGSRDH-UHFFFAOYSA-N 0 0 292.379 3.260 20 10 CGCDRN Cc1ccc(CN2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001203556755 812391019 /nfs/dbraw/zinc/39/10/19/812391019.db2.gz WGTBKUPRMKGGRA-UHFFFAOYSA-N 0 0 296.414 3.018 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001203574357 812397205 /nfs/dbraw/zinc/39/72/05/812397205.db2.gz UGPWPHVZCNNSNV-JWYUURKGSA-N 0 0 290.165 3.489 20 10 CGCDRN CCN(CC)c1ccc(CN2CCC[C@@H](F)C(=O)C2)cc1 ZINC001203935384 812495889 /nfs/dbraw/zinc/49/58/89/812495889.db2.gz GLCFHDBHLOALML-MRXNPFEDSA-N 0 0 292.398 3.036 20 10 CGCDRN CCCCOC1CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327318 812614850 /nfs/dbraw/zinc/61/48/50/812614850.db2.gz QLCCGASTUULBHR-UHFFFAOYSA-N 0 0 288.435 3.288 20 10 CGCDRN CC[N@H+](Cc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC001204490739 812655969 /nfs/dbraw/zinc/65/59/69/812655969.db2.gz ASIXWGDTCYBIPV-UHFFFAOYSA-N 0 0 283.371 3.349 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)ccc(F)c1F ZINC001204579122 812680692 /nfs/dbraw/zinc/68/06/92/812680692.db2.gz GGUFDLDSULXSOS-CQSZACIVSA-N 0 0 289.325 3.487 20 10 CGCDRN COc1cc(O)c(CN2c3ccccc3C[C@@H]2C)cc1OC ZINC001205143653 812884750 /nfs/dbraw/zinc/88/47/50/812884750.db2.gz SKHGGLRQOQZZDE-LBPRGKRZSA-N 0 0 299.370 3.361 20 10 CGCDRN Cc1ccc(CN[C@@H](CC(C)C)C(=O)OC(C)C)c(O)c1 ZINC001205465183 812988450 /nfs/dbraw/zinc/98/84/50/812988450.db2.gz DOTUWZRMMAPRPO-HNNXBMFYSA-N 0 0 293.407 3.157 20 10 CGCDRN c1nc2ccc(Nc3ccc4c(c3)OCCN4)cc2o1 ZINC001209728214 814123055 /nfs/dbraw/zinc/12/30/55/814123055.db2.gz MZXRKNZVHGCXFB-UHFFFAOYSA-N 0 0 267.288 3.376 20 10 CGCDRN O=c1[nH]c2ccc(Nc3ccc4c(c3)OCCN4)cc2o1 ZINC001209766251 814134775 /nfs/dbraw/zinc/13/47/75/814134775.db2.gz KYAJYICQMLWAOS-UHFFFAOYSA-N 0 0 283.287 3.081 20 10 CGCDRN Nc1ccc(Cc2ccccc2Nc2ccnnc2)cc1 ZINC001209960296 814213962 /nfs/dbraw/zinc/21/39/62/814213962.db2.gz DSSMLPDZGFUGLS-UHFFFAOYSA-N 0 0 276.343 3.393 20 10 CGCDRN CN(C)C(=O)Nc1ccc(Nc2ccc(N)cc2)cc1 ZINC001210636113 814564864 /nfs/dbraw/zinc/56/48/64/814564864.db2.gz OHLJSKHTDKKEEU-UHFFFAOYSA-N 0 0 270.336 3.106 20 10 CGCDRN CC(C)Oc1cc(N(C)c2ccc(N)cc2)ccn1 ZINC001215768562 815583465 /nfs/dbraw/zinc/58/34/65/815583465.db2.gz 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COc1cc(C)c(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(O)c1 ZINC001308771838 933173787 /nfs/dbraw/zinc/17/37/87/933173787.db2.gz NGFVTJHSJWXCMX-SJLPKXTDSA-N 0 0 287.403 3.330 20 10 CGCDRN CCOC(=O)CC[N@H+](Cc1ccc(Cl)cc1O)C(C)C ZINC001308839498 933188209 /nfs/dbraw/zinc/18/82/09/933188209.db2.gz DXVXIKUDACKCOB-UHFFFAOYSA-N 0 0 299.798 3.209 20 10 CGCDRN Cc1c(F)cccc1NC(=O)NCc1c(O)cccc1F ZINC001310355283 933254362 /nfs/dbraw/zinc/25/43/62/933254362.db2.gz BNXSFSRHFVYAEQ-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN C[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)C1 ZINC001312046483 933332413 /nfs/dbraw/zinc/33/24/13/933332413.db2.gz HVPZDTASFXDCEP-IMRBUKKESA-N 0 0 288.391 3.242 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCC=CCCC1 ZINC001313402037 933449492 /nfs/dbraw/zinc/44/94/92/933449492.db2.gz LXUVQAUANDDLFZ-CQSZACIVSA-N 0 0 288.391 3.328 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccccc1F ZINC001321103537 934150830 /nfs/dbraw/zinc/15/08/30/934150830.db2.gz OSFWRAOMAJNFOF-UHFFFAOYSA-N 0 0 291.669 3.268 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)C1CCCCC1 ZINC001322263070 934267807 /nfs/dbraw/zinc/26/78/07/934267807.db2.gz BYOIRAQMNVXRGF-UHFFFAOYSA-N 0 0 279.727 3.395 20 10 CGCDRN Cc1ccc(C(=O)NCC2CCC3(CC3)CC2)c(O)c1O ZINC001470732539 937756993 /nfs/dbraw/zinc/75/69/93/937756993.db2.gz PZIVHCQBCOTDNX-UHFFFAOYSA-N 0 0 289.375 3.106 20 10 CGCDRN O=C(CCc1ccoc1)Nc1c2nonc2ccc1Cl ZINC001323481894 934401591 /nfs/dbraw/zinc/40/15/91/934401591.db2.gz DPMYEXBYXWCSML-UHFFFAOYSA-N 0 0 291.694 3.041 20 10 CGCDRN O=C(NCc1c(O)cccc1O)[C@@H](F)CC1CCCCC1 ZINC001472063482 937772083 /nfs/dbraw/zinc/77/20/83/937772083.db2.gz LJNOBNZFMSYAAR-ZDUSSCGKSA-N 0 0 295.354 3.023 20 10 CGCDRN Cc1cc(=O)[nH]c(C=Cc2ccc(N3CCCC3)cc2)n1 ZINC001324708007 934553320 /nfs/dbraw/zinc/55/33/20/934553320.db2.gz SCMOYOTYTQYKLO-RMKNXTFCSA-N 0 0 281.359 3.261 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H]2COC(C)(C)O2)cc1 ZINC001473262082 937799295 /nfs/dbraw/zinc/79/92/95/937799295.db2.gz SJYOCASMXYQOQU-OAHLLOKOSA-N 0 0 279.380 3.063 20 10 CGCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccncc1 ZINC001330710994 935315375 /nfs/dbraw/zinc/31/53/75/935315375.db2.gz GGYGVCISQRMEQO-WFASDCNBSA-N 0 0 299.374 3.299 20 10 CGCDRN Cc1cnc(C)nc1NCc1c(O)ccc2c1CCCC2 ZINC001332974690 935501206 /nfs/dbraw/zinc/50/12/06/935501206.db2.gz GETYOFINVWAMPD-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN CCc1onc(C)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001334170831 936088742 /nfs/dbraw/zinc/08/87/42/936088742.db2.gz JBWBUFBWHMRMRU-UHFFFAOYSA-N 0 0 287.407 3.210 20 10 CGCDRN Cc1nc([C@H]2CCCN2Cc2ccc(N)cc2)cs1 ZINC001336286174 936186298 /nfs/dbraw/zinc/18/62/98/936186298.db2.gz NRZYASNSVJAXHP-OAHLLOKOSA-N 0 0 273.405 3.371 20 10 CGCDRN C[C@@H]1CCCC[C@]1(C)NC(=O)NCc1ccc(N)cc1 ZINC001336290924 936186976 /nfs/dbraw/zinc/18/69/76/936186976.db2.gz XAGTYWRJCOIFHG-WBMJQRKESA-N 0 0 275.396 3.037 20 10 CGCDRN CC(C)c1nc(CN2Cc3cccc(O)c3C2)cs1 ZINC001336759928 936215034 /nfs/dbraw/zinc/21/50/34/936215034.db2.gz ZXEBPCMYIUTSQH-UHFFFAOYSA-N 0 0 274.389 3.488 20 10 CGCDRN CC[C@@H](C)N(C)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001473975444 937833513 /nfs/dbraw/zinc/83/35/13/937833513.db2.gz ZELCAXGEXRSGPP-SNVBAGLBSA-N 0 0 288.794 3.005 20 10 CGCDRN COc1nscc1NCc1cc(F)c(N(C)C)cc1F ZINC001474253466 937846958 /nfs/dbraw/zinc/84/69/58/937846958.db2.gz ATJZLDUMFTUFHE-UHFFFAOYSA-N 0 0 299.346 3.108 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cc[nH]c(=O)c2)cc1 ZINC001474441619 937859869 /nfs/dbraw/zinc/85/98/69/937859869.db2.gz CCGXTTDAEHHTPS-UHFFFAOYSA-N 0 0 272.348 3.211 20 10 CGCDRN OC[C@@H]1CN(Cc2ccc(Cl)cc2O)c2ccccc21 ZINC001474538609 937865785 /nfs/dbraw/zinc/86/57/85/937865785.db2.gz WFJSQNBQLUYRGL-LBPRGKRZSA-N 0 0 289.762 3.142 20 10 CGCDRN COc1cc(C)c(CNc2cnn(C(C)C)c2)c(O)c1 ZINC001474603056 937869790 /nfs/dbraw/zinc/86/97/90/937869790.db2.gz JXWVGOPIJWRAMG-UHFFFAOYSA-N 0 0 275.352 3.099 20 10 CGCDRN CCc1cccc(CN2CC(OC(C)(C)CC)C2)c1O ZINC001474630983 937871512 /nfs/dbraw/zinc/87/15/12/937871512.db2.gz VCNQTKJZZUSOGS-UHFFFAOYSA-N 0 0 277.408 3.344 20 10 CGCDRN CO[C@H](C[NH2+]Cc1ccc(C)cc1O)C1CCCCC1 ZINC001474645802 937872678 /nfs/dbraw/zinc/87/26/78/937872678.db2.gz MJTMHDJOHZIYTD-QGZVFWFLSA-N 0 0 277.408 3.386 20 10 CGCDRN CC(C)(O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001474670041 937873915 /nfs/dbraw/zinc/87/39/15/937873915.db2.gz WEIQMLGZNCFWEB-UHFFFAOYSA-N 0 0 283.799 3.029 20 10 CGCDRN C[C@H](NC(=O)Nc1cccc(Cl)n1)c1ccccc1O ZINC001476233558 937887002 /nfs/dbraw/zinc/88/70/02/937887002.db2.gz HWYGYEXEWILNIO-VIFPVBQESA-N 0 0 291.738 3.323 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1c(O)cccc1F ZINC001478811577 937911573 /nfs/dbraw/zinc/91/15/73/937911573.db2.gz UQRZJCYBTNGEFO-GHMZBOCLSA-N 0 0 294.370 3.155 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccccc2O)c(Cl)n1 ZINC001517724518 938012861 /nfs/dbraw/zinc/01/28/61/938012861.db2.gz UFNPQYGRWYOAOX-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN CCCCCC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001530895884 938079950 /nfs/dbraw/zinc/07/99/50/938079950.db2.gz FIWXWWWEBKLRAZ-UHFFFAOYSA-N 0 0 292.423 3.170 20 10 CGCDRN COc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1 ZINC001531429726 938081856 /nfs/dbraw/zinc/08/18/56/938081856.db2.gz NFGAAEVFTPBYCG-IZZDOVSWSA-N 0 0 282.343 3.075 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@]34C[C@H]3CCCC4)ccc21 ZINC001544164226 938143669 /nfs/dbraw/zinc/14/36/69/938143669.db2.gz FDSPYMOXMRKOJI-VQIMIIECSA-N 0 0 298.430 3.266 20 10 CGCDRN O=C(Nc1n[nH]cc1-c1ccccc1)C1=CC(=O)CS1 ZINC001558719328 938217387 /nfs/dbraw/zinc/21/73/87/938217387.db2.gz OCWHPKFHIFESEB-UHFFFAOYSA-N 0 0 285.328 3.096 20 10 CGCDRN Cc1cc(O)c(CN2C[C@H](C)OC(C)(C)C2)cc1Cl ZINC001560658560 938268508 /nfs/dbraw/zinc/26/85/08/938268508.db2.gz BSUJZMVDTGAWOE-NSHDSACASA-N 0 0 283.799 3.353 20 10 CGCDRN Cc1cc(O)c(CN2C[C@@H](C)OC(C)(C)C2)cc1Cl ZINC001560658559 938268609 /nfs/dbraw/zinc/26/86/09/938268609.db2.gz BSUJZMVDTGAWOE-LLVKDONJSA-N 0 0 283.799 3.353 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC001560701329 938271202 /nfs/dbraw/zinc/27/12/02/938271202.db2.gz JWJOQMTWQMOEOG-AWEZNQCLSA-N 0 0 278.302 3.336 20 10 CGCDRN Cc1cc(O)c(CN2CCO[C@H](C(C)C)C2)c(Cl)c1 ZINC001560708041 938271775 /nfs/dbraw/zinc/27/17/75/938271775.db2.gz AILIAFISLNFZNY-HNNXBMFYSA-N 0 0 283.799 3.211 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(C2CC2)CC1 ZINC001560871521 938281116 /nfs/dbraw/zinc/28/11/16/938281116.db2.gz LCVOODFJHHDSNH-UHFFFAOYSA-N 0 0 267.319 3.292 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1cc(O)ccc1Cl ZINC001560987647 938288080 /nfs/dbraw/zinc/28/80/80/938288080.db2.gz SKVXBQJGRWLAIN-UHFFFAOYSA-N 0 0 281.714 3.180 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H]1OCc2ccccc21 ZINC001561048730 938291485 /nfs/dbraw/zinc/29/14/85/938291485.db2.gz COLLNDAENUZFSH-MRXNPFEDSA-N 0 0 291.297 3.032 20 10 CGCDRN CC(C)Oc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC001569407511 961761152 /nfs/dbraw/zinc/76/11/52/961761152.db2.gz UYYNABAPCBNSIQ-UHFFFAOYSA-N 0 0 277.345 3.493 20 10 CGCDRN CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC001570340064 961953832 /nfs/dbraw/zinc/95/38/32/961953832.db2.gz TXSSPHMVCAGATP-OLZOCXBDSA-N 0 0 291.391 3.434 20 10 CGCDRN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001573698762 962278614 /nfs/dbraw/zinc/27/86/14/962278614.db2.gz QAVZCDJTFNWAPJ-DOMZBBRYSA-N 0 0 299.370 3.088 20 10 CGCDRN CCn1cnnc1-c1cccc(NCc2ccc(N)cc2)c1 ZINC001578359204 962586811 /nfs/dbraw/zinc/58/68/11/962586811.db2.gz CIBYBMUQUFMFFR-UHFFFAOYSA-N 0 0 293.374 3.159 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccc(-c3ccon3)cc2)cc1 ZINC001580443279 962721875 /nfs/dbraw/zinc/72/18/75/962721875.db2.gz VBWZUKFQGVCEGV-UHFFFAOYSA-N 0 0 293.326 3.105 20 10 CGCDRN Nc1cccc2c1C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001580459711 962723882 /nfs/dbraw/zinc/72/38/82/962723882.db2.gz OBTZDDVOUJPQSM-UHFFFAOYSA-N 0 0 288.778 3.186 20 10 CGCDRN CSc1cccc(N(C)C(=O)C2=CC(=O)CS2)c1 ZINC001584292954 962904626 /nfs/dbraw/zinc/90/46/26/962904626.db2.gz SIEHJCMDKXTHCE-UHFFFAOYSA-N 0 0 279.386 3.452 20 10 CGCDRN C/C(=C/C(=O)N1CCC=Cc2ccccc21)c1cnccn1 ZINC001585034890 962980122 /nfs/dbraw/zinc/98/01/22/962980122.db2.gz UTHPGWFDGBXRFA-OWBHPGMISA-N 0 0 291.354 3.330 20 10 CGCDRN Cc1ccccc1N(C)C(=O)/C=C/c1cccnc1 ZINC001586841556 963146014 /nfs/dbraw/zinc/14/60/14/963146014.db2.gz FPJJITJYUQCWIB-MDZDMXLPSA-N 0 0 252.317 3.066 20 10 CGCDRN Cc1cc(C)c(O)c(NC(=O)C2=CC(=O)CS2)c1 ZINC001586937122 963155198 /nfs/dbraw/zinc/15/51/98/963155198.db2.gz UMHVEBWTGDVUQI-UHFFFAOYSA-N 0 0 263.318 3.028 20 10 CGCDRN CC[C@@H]([NH2+]CCCCC(=O)[O-])c1cc(Cl)ccc1O ZINC001589571125 964002135 /nfs/dbraw/zinc/00/21/35/964002135.db2.gz XCRQWYAYYRGWSX-GFCCVEGCSA-N 0 0 285.771 3.341 20 10 CGCDRN CC[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccccc1O ZINC000086735495 967574778 /nfs/dbraw/zinc/57/47/78/967574778.db2.gz YMYZVYQAQUNPSH-YIZWMMSDSA-N 0 0 277.364 3.076 20 10 CGCDRN CCc1cccc(C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)c1O ZINC001603975058 974463440 /nfs/dbraw/zinc/46/34/40/974463440.db2.gz CECUZINYKJRRKE-GOSISDBHSA-N 0 0 299.370 3.044 20 10 CGCDRN C[C@H]([NH2+]Cc1csc(C(=O)[O-])c1)c1ccccc1O ZINC001599901597 984841601 /nfs/dbraw/zinc/84/16/01/984841601.db2.gz LSBDEPCFLDMIRI-VIFPVBQESA-N 0 0 277.345 3.003 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593224844 994342835 /nfs/dbraw/zinc/34/28/35/994342835.db2.gz RTZMHYUMHFRPJK-HZMBPMFUSA-N 0 0 277.364 3.320 20 10 CGCDRN C[C@@H]([NH2+]CCCC(C)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593265722 994575170 /nfs/dbraw/zinc/57/51/70/994575170.db2.gz VYTYLAICVQGIJG-SECBINFHSA-N 0 0 287.306 3.176 20 10 CGCDRN CCc1ncnc(N[C@H](C)c2cc(OC)ccc2O)c1F ZINC000301965187 529762310 /nfs/dbraw/zinc/76/23/10/529762310.db2.gz KBAUYODGBYODQY-SECBINFHSA-N 0 0 291.326 3.065 20 10 CGCDRN CC(C)(C)c1nc(CSc2nccs2)no1 ZINC000064660115 345263707 /nfs/dbraw/zinc/26/37/07/345263707.db2.gz RTNWQSUHFOKKAZ-UHFFFAOYSA-N 0 0 255.368 3.116 20 10 CGCDRN CC(C)(C)c1noc(CSc2nccs2)n1 ZINC000064661960 345263735 /nfs/dbraw/zinc/26/37/35/345263735.db2.gz JFTGRDOAGNBZQK-UHFFFAOYSA-N 0 0 255.368 3.116 20 10 CGCDRN CC(C)CSCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000072756094 345417626 /nfs/dbraw/zinc/41/76/26/345417626.db2.gz HVGSNBNEKJKUFP-UHFFFAOYSA-N 0 0 294.464 3.100 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2(C)CCCC2)cc1 ZINC000070897673 345397986 /nfs/dbraw/zinc/39/79/86/345397986.db2.gz ZNDDQGDJUGPVSO-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)CCC(F)(F)F)cc1 ZINC000079388292 345639662 /nfs/dbraw/zinc/63/96/62/345639662.db2.gz KWQBNIGKIGIJNJ-UHFFFAOYSA-N 0 0 288.313 3.054 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)SC ZINC000124867824 370929227 /nfs/dbraw/zinc/92/92/27/370929227.db2.gz LKWUASZPSJQLHO-CQSZACIVSA-N 0 0 281.421 3.272 20 10 CGCDRN COc1ccc(NCc2ccc(N(C)C)cc2)cc1OC ZINC000019908417 368779904 /nfs/dbraw/zinc/77/99/04/368779904.db2.gz UINHSGQJVFYBRW-UHFFFAOYSA-N 0 0 286.375 3.382 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191183275 296132012 /nfs/dbraw/zinc/13/20/12/296132012.db2.gz VAHSJLYLIGQAQM-YGRLFVJLSA-N 0 0 293.313 3.055 20 10 CGCDRN CCCC1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000049540704 369408058 /nfs/dbraw/zinc/40/80/58/369408058.db2.gz QXFHXSCTGYIIAF-UHFFFAOYSA-N 0 0 274.408 3.286 20 10 CGCDRN CCC[C@H](C(=O)N(C)Cc1ccccc1O)C(C)C ZINC000136461118 371476240 /nfs/dbraw/zinc/47/62/40/371476240.db2.gz LYROGCVGYSQTDY-AWEZNQCLSA-N 0 0 263.381 3.423 20 10 CGCDRN CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000287005630 371588454 /nfs/dbraw/zinc/58/84/54/371588454.db2.gz DJCJRGIJCNIFFH-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN Oc1cccc(Cl)c1CNCc1noc2c1CCCC2 ZINC000288379551 371735323 /nfs/dbraw/zinc/73/53/23/371735323.db2.gz FVFHEYRDNAONCZ-UHFFFAOYSA-N 0 0 292.766 3.202 20 10 CGCDRN CC[C@H]([NH2+]CC1(SC)CC1)c1ccc(F)cc1[O-] ZINC000287625430 371684944 /nfs/dbraw/zinc/68/49/44/371684944.db2.gz TWOSVPUYBLMXOB-LBPRGKRZSA-N 0 0 269.385 3.468 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(C)(F)F ZINC000288404119 371738213 /nfs/dbraw/zinc/73/82/13/371738213.db2.gz AAIAGQTXRBVXEP-UHFFFAOYSA-N 0 0 296.361 3.291 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCSCC1 ZINC000293626510 372429944 /nfs/dbraw/zinc/42/99/44/372429944.db2.gz MVCDAZMPHPYDKF-UHFFFAOYSA-N 0 0 275.776 3.170 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2O)C[C@H]1C ZINC000295112316 372694720 /nfs/dbraw/zinc/69/47/20/372694720.db2.gz LHPFHFYQDKEGMI-JHJVBQTASA-N 0 0 261.365 3.081 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CC=CCC2)c(C)n1-c1ccccn1 ZINC000172394707 372955534 /nfs/dbraw/zinc/95/55/34/372955534.db2.gz IQGMACJIYIPHRD-HNNXBMFYSA-N 0 0 295.386 3.328 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000296384279 373113643 /nfs/dbraw/zinc/11/36/43/373113643.db2.gz JTDOWPGSXYJEEW-OCCSQVGLSA-N 0 0 267.344 3.140 20 10 CGCDRN CCCCOc1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC000297161470 373258173 /nfs/dbraw/zinc/25/81/73/373258173.db2.gz JTGJRKCENRVELN-UHFFFAOYSA-N 0 0 298.386 3.378 20 10 CGCDRN C[C@H](Sc1nccs1)c1nc(C2CC2)no1 ZINC000299010120 373444679 /nfs/dbraw/zinc/44/46/79/373444679.db2.gz BKSULMGZAGLGTO-LURJTMIESA-N 0 0 253.352 3.257 20 10 CGCDRN CN(Cc1ccccc1O)c1cccc(C(F)(F)F)n1 ZINC000302658030 373917272 /nfs/dbraw/zinc/91/72/72/373917272.db2.gz OMHIYLCPYOMEIM-UHFFFAOYSA-N 0 0 282.265 3.442 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ncncc2Cl)c1 ZINC000302679698 373926261 /nfs/dbraw/zinc/92/62/61/373926261.db2.gz WDRPZALUEZGTFG-QMMMGPOBSA-N 0 0 279.727 3.017 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(O)c1O ZINC000180528785 374018522 /nfs/dbraw/zinc/01/85/22/374018522.db2.gz WYJRNCDRQZXPKF-OBJOEFQTSA-N 0 0 289.375 3.057 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c(O)c1O ZINC000181816536 374175814 /nfs/dbraw/zinc/17/58/14/374175814.db2.gz BXAHIIFMJUZYQQ-TZMCWYRMSA-N 0 0 289.375 3.201 20 10 CGCDRN CSC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187727027 375081818 /nfs/dbraw/zinc/08/18/18/375081818.db2.gz UFVSSCDMTZHQNE-JGVFFNPUSA-N 0 0 261.337 3.073 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CC1(c2ccccc2)CC1 ZINC000528822550 375911317 /nfs/dbraw/zinc/91/13/17/375911317.db2.gz BMERXQQINFKOLY-UHFFFAOYSA-N 0 0 295.382 3.473 20 10 CGCDRN CC1(C)CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172631633 542180414 /nfs/dbraw/zinc/18/04/14/542180414.db2.gz WXBKWVBNBVSRIL-UHFFFAOYSA-N 0 0 299.418 3.147 20 10 CGCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000267035141 378030258 /nfs/dbraw/zinc/03/02/58/378030258.db2.gz GRVVTLXLJHPWMU-CYBMUJFWSA-N 0 0 286.419 3.290 20 10 CGCDRN C/C=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000267595408 378041877 /nfs/dbraw/zinc/04/18/77/378041877.db2.gz OZKYKLZWFGBNET-VGOFMYFVSA-N 0 0 274.408 3.456 20 10 CGCDRN CCc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)o1 ZINC000268383638 378054424 /nfs/dbraw/zinc/05/44/24/378054424.db2.gz CIMICBNXDOUUND-XFFZJAGNSA-N 0 0 279.386 3.206 20 10 CGCDRN CCN1C(=O)/C(=C\c2cccc(COC)c2)SC1=S ZINC000266356480 378021080 /nfs/dbraw/zinc/02/10/80/378021080.db2.gz YIIHYBMKUGUCGC-XYOKQWHBSA-N 0 0 293.413 3.054 20 10 CGCDRN CCC1(C(=O)N(C)Cc2ccccc2O)CCCC1 ZINC000269141098 378191982 /nfs/dbraw/zinc/19/19/82/378191982.db2.gz KRWYOGWXSVKVKZ-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN Cc1ncsc1CN(C)Cc1c(O)cccc1Cl ZINC000271139811 378461843 /nfs/dbraw/zinc/46/18/43/378461843.db2.gz CBTCKTOWNMIIPA-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN CCC1(CO)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271898980 378511306 /nfs/dbraw/zinc/51/13/06/378511306.db2.gz YXBZDPFEEAMZNU-UHFFFAOYSA-N 0 0 283.799 3.030 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000273145236 378737351 /nfs/dbraw/zinc/73/73/51/378737351.db2.gz POKMIEZXZPPWPP-SJORKVTESA-N 0 0 275.392 3.056 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273346980 378742258 /nfs/dbraw/zinc/74/22/58/378742258.db2.gz AVVRYKKAUOWLJJ-MNOVXSKESA-N 0 0 262.309 3.060 20 10 CGCDRN C[C@H]([NH2+]CCCc1nccs1)c1ccc(F)cc1[O-] ZINC000273350814 378742308 /nfs/dbraw/zinc/74/23/08/378742308.db2.gz BSLLXKPJHOGMNM-JTQLQIEISA-N 0 0 280.368 3.271 20 10 CGCDRN C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273361056 378742384 /nfs/dbraw/zinc/74/23/84/378742384.db2.gz AJKGUONSVRLRAQ-IUCAKERBSA-N 0 0 295.276 3.149 20 10 CGCDRN C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccc(F)cc1[O-] ZINC000273485581 378750425 /nfs/dbraw/zinc/75/04/25/378750425.db2.gz NGLRVFXPGJHQKB-QWHCGFSZSA-N 0 0 295.398 3.371 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1ccc(C)c(C)c1O ZINC000273525979 378752134 /nfs/dbraw/zinc/75/21/34/378752134.db2.gz VGKWYRYUMAEHNA-GFCCVEGCSA-N 0 0 273.380 3.478 20 10 CGCDRN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000272800518 378706448 /nfs/dbraw/zinc/70/64/48/378706448.db2.gz BKBDGIPAGUJMBJ-YGRLFVJLSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000272800516 378706719 /nfs/dbraw/zinc/70/67/19/378706719.db2.gz BKBDGIPAGUJMBJ-QMTHXVAHSA-N 0 0 293.313 3.055 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1C ZINC000274588739 378856670 /nfs/dbraw/zinc/85/66/70/378856670.db2.gz KYTYZFFXMOMGSR-UHFFFAOYSA-N 0 0 297.402 3.118 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cc(F)ccc1O ZINC000371871063 379180892 /nfs/dbraw/zinc/18/08/92/379180892.db2.gz 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/nfs/dbraw/zinc/68/16/41/380681641.db2.gz INBQGVXLQBDEBR-UHFFFAOYSA-N 0 0 295.386 3.307 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1ncc(C)cn1 ZINC000359830521 381371418 /nfs/dbraw/zinc/37/14/18/381371418.db2.gz JYTVWPUDOIBQHD-UHFFFAOYSA-N 0 0 266.348 3.197 20 10 CGCDRN Cc1ccc(C(=O)N2CCCC23CCCCC3)c(O)c1O ZINC000367853160 382358475 /nfs/dbraw/zinc/35/84/75/382358475.db2.gz IQVQCXZWJILGQQ-UHFFFAOYSA-N 0 0 289.375 3.345 20 10 CGCDRN CCOCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000741783283 572528328 /nfs/dbraw/zinc/52/83/28/572528328.db2.gz XWBGRMOVXZNJCA-UHFFFAOYSA-N 0 0 285.334 3.467 20 10 CGCDRN O=[N+]([O-])c1cnc(SCCC(F)(F)F)s1 ZINC000282003073 392270489 /nfs/dbraw/zinc/27/04/89/392270489.db2.gz UMQHAHXNGVMKMU-UHFFFAOYSA-N 0 0 258.246 3.096 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C3CC3)no2)cc1Cl ZINC000121864282 392416254 /nfs/dbraw/zinc/41/62/54/392416254.db2.gz JJMRQRSTAVPUCB-UHFFFAOYSA-N 0 0 293.754 3.245 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(O)CCCCCC1 ZINC000124831442 392436419 /nfs/dbraw/zinc/43/64/19/392436419.db2.gz FEAVMOZFEVKAOJ-UHFFFAOYSA-N 0 0 283.799 3.221 20 10 CGCDRN C/C(=C/c1ccc2c(c1)CCN2C)c1cnccn1 ZINC000126560504 392442834 /nfs/dbraw/zinc/44/28/34/392442834.db2.gz ZGYMSKIZCUNQRG-XFXZXTDPSA-N 0 0 251.333 3.029 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(-c3ncn(C)n3)c2)c1 ZINC000153534298 392520253 /nfs/dbraw/zinc/52/02/53/392520253.db2.gz LDHLKMONGFUNDM-UHFFFAOYSA-N 0 0 294.358 3.108 20 10 CGCDRN CCc1cc(NCc2ccc(N(C)C)cc2)nc(C)n1 ZINC000301331304 392586921 /nfs/dbraw/zinc/58/69/21/392586921.db2.gz DTAGTKMXSRHOMP-UHFFFAOYSA-N 0 0 270.380 3.026 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC=CCC1 ZINC000172447011 392618683 /nfs/dbraw/zinc/61/86/83/392618683.db2.gz GVVIWHXEZTWPFU-INIZCTEOSA-N 0 0 299.418 3.195 20 10 CGCDRN CC(C)OCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191184093 392824289 /nfs/dbraw/zinc/82/42/89/392824289.db2.gz KECZDZWVSYRYMR-JTQLQIEISA-N 0 0 273.323 3.136 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC1CCC1 ZINC000348667393 393127036 /nfs/dbraw/zinc/12/70/36/393127036.db2.gz PLJKWFYXVJFMTR-UHFFFAOYSA-N 0 0 270.376 3.293 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCC1CC1 ZINC000348706554 393129531 /nfs/dbraw/zinc/12/95/31/393129531.db2.gz OKLZMTBPTUGASF-UHFFFAOYSA-N 0 0 270.376 3.293 20 10 CGCDRN CCC1(CNC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000349646326 393151226 /nfs/dbraw/zinc/15/12/26/393151226.db2.gz ORSJNOHNDZTSOZ-UHFFFAOYSA-N 0 0 299.418 3.476 20 10 CGCDRN Cn1cncc1COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164514 393364997 /nfs/dbraw/zinc/36/49/97/393364997.db2.gz YICLAYZNNPBMKQ-UHFFFAOYSA-N 0 0 295.386 3.370 20 10 CGCDRN CCN(CCOC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000744200793 572722558 /nfs/dbraw/zinc/72/25/58/572722558.db2.gz PLGQRUCWIIJTOM-UHFFFAOYSA-N 0 0 281.396 3.345 20 10 CGCDRN COc1ccc(N[C@H](C)c2cc(C)ccc2O)cn1 ZINC000035628459 172307216 /nfs/dbraw/zinc/30/72/16/172307216.db2.gz VTOLYFTVNSRWLK-LLVKDONJSA-N 0 0 258.321 3.277 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(Cl)cn2)cc1 ZINC000078626590 177362247 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/nfs/dbraw/zinc/11/59/39/260115939.db2.gz JXXAMRQMSBMEIH-AWEZNQCLSA-N 0 0 282.387 3.306 20 10 CGCDRN Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000160343087 261211619 /nfs/dbraw/zinc/21/16/19/261211619.db2.gz YQMKRWRBXIWDRF-HUUCEWRRSA-N 0 0 258.365 3.424 20 10 CGCDRN Nc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000160343479 261211620 /nfs/dbraw/zinc/21/16/20/261211620.db2.gz YQMKRWRBXIWDRF-GJZGRUSLSA-N 0 0 258.365 3.424 20 10 CGCDRN CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184841810 262030464 /nfs/dbraw/zinc/03/04/64/262030464.db2.gz VRNDWBDBBTZNNL-HTQZYQBOSA-N 0 0 278.179 3.121 20 10 CGCDRN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185614806 262062224 /nfs/dbraw/zinc/06/22/24/262062224.db2.gz AMEVHZROEQVDNL-OLZOCXBDSA-N 0 0 283.387 3.227 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1nc(C2CC2)cs1 ZINC000299551923 263246958 /nfs/dbraw/zinc/24/69/58/263246958.db2.gz LMXWUTXWWAVASZ-UHFFFAOYSA-N 0 0 289.360 3.048 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1CCOC1 ZINC000363030937 267073568 /nfs/dbraw/zinc/07/35/68/267073568.db2.gz OANHMDXCOUFYIG-LLVKDONJSA-N 0 0 283.318 3.077 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1[O-] ZINC000285728377 288070310 /nfs/dbraw/zinc/07/03/10/288070310.db2.gz QMHVYRFIWXNUPQ-XHSDSOJGSA-N 0 0 292.398 3.199 20 10 CGCDRN CCOCc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000185921837 327850848 /nfs/dbraw/zinc/85/08/48/327850848.db2.gz MGRKWRULSJMBRX-UHFFFAOYSA-N 0 0 262.378 3.413 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1[O-] ZINC000276939653 328220533 /nfs/dbraw/zinc/22/05/33/328220533.db2.gz PITJATPSTCYGOB-PELKAZGASA-N 0 0 293.317 3.122 20 10 CGCDRN O=[N+]([O-])c1ccc(Sc2nccs2)c([N+](=O)[O-])c1 ZINC000048894092 328457110 /nfs/dbraw/zinc/45/71/10/328457110.db2.gz UXYAMCDGZODWNV-UHFFFAOYSA-N 0 0 283.290 3.111 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C\c2cccnc2)c1C ZINC000255108787 326943147 /nfs/dbraw/zinc/94/31/47/326943147.db2.gz VVESACOLXZLVOX-KTKRTIGZSA-N 0 0 266.344 3.375 20 10 CGCDRN CC(C)(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000049740442 326975458 /nfs/dbraw/zinc/97/54/58/326975458.db2.gz CRXJMPMYPCTVTJ-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000377827032 329030657 /nfs/dbraw/zinc/03/06/57/329030657.db2.gz SDCILQVHARRUAJ-KBPBESRZSA-N 0 0 293.382 3.170 20 10 CGCDRN CO[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000378633453 329057281 /nfs/dbraw/zinc/05/72/81/329057281.db2.gz OJIUHHCPXZHOGV-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN Cc1cccc(N(C)Cc2c[nH]nc2-c2cccnc2)c1 ZINC000184736592 329260981 /nfs/dbraw/zinc/26/09/81/329260981.db2.gz ZVIGRSHZXOZFAW-UHFFFAOYSA-N 0 0 278.359 3.417 20 10 CGCDRN O=C1NC(=S)S/C1=C\c1cccc(-c2cccnc2)c1 ZINC000127710755 329601850 /nfs/dbraw/zinc/60/18/50/329601850.db2.gz QIPNDCMVTLRCKQ-JYRVWZFOSA-N 0 0 298.392 3.237 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000421542804 329838760 /nfs/dbraw/zinc/83/87/60/329838760.db2.gz XBYDJMHJFDMRFI-FZKQIMNGSA-N 0 0 282.387 3.293 20 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CGCDRN CCN(C(=O)/C=C/c1cnccc1C)c1ncccc1C ZINC000492623232 332406535 /nfs/dbraw/zinc/40/65/35/332406535.db2.gz YRMFOJKNBTUYIV-BQYQJAHWSA-N 0 0 281.359 3.160 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2cccc(F)c2O1 ZINC000185645934 333145826 /nfs/dbraw/zinc/14/58/26/333145826.db2.gz MDOMIHAVEQDKGW-GUOLPTJISA-N 0 0 298.317 3.048 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cccnc2)c1C ZINC000193605404 333253997 /nfs/dbraw/zinc/25/39/97/333253997.db2.gz VVESACOLXZLVOX-MDZDMXLPSA-N 0 0 266.344 3.375 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000528828262 333460697 /nfs/dbraw/zinc/46/06/97/333460697.db2.gz UXRBJQGSWCWVRR-AFAVFJNCSA-N 0 0 287.403 3.423 20 10 CGCDRN Cc1cccc(CNc2cccc3c2OCC3)c1O ZINC000529640790 333502868 /nfs/dbraw/zinc/50/28/68/333502868.db2.gz JYBXOEQSCYRBCF-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN C/C=C(\CC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000276563417 518492627 /nfs/dbraw/zinc/49/26/27/518492627.db2.gz NCEPLXAPESOVBA-GIDUJCDVSA-N 0 0 274.408 3.457 20 10 CGCDRN CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276927383 519807230 /nfs/dbraw/zinc/80/72/30/519807230.db2.gz NNHMUKLCRAJMSF-USBNGQNGSA-N 0 0 299.361 3.382 20 10 CGCDRN CC(C)c1cnc(NC(=O)NCc2ccccc2O)s1 ZINC000277182475 519852096 /nfs/dbraw/zinc/85/20/96/519852096.db2.gz CNJBYOJGSCQLTI-UHFFFAOYSA-N 0 0 291.376 3.294 20 10 CGCDRN CC(C)c1noc([C@H](C)N(C)Cc2ccccc2O)n1 ZINC000109769832 519909404 /nfs/dbraw/zinc/90/94/04/519909404.db2.gz OAXYEUSSEBVBPR-NSHDSACASA-N 0 0 275.352 3.092 20 10 CGCDRN CC1(C)C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293562894 520556030 /nfs/dbraw/zinc/55/60/30/520556030.db2.gz IFGDOEDIVCWALX-SNVBAGLBSA-N 0 0 287.762 3.232 20 10 CGCDRN CCC[C@@]1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236989536 520952237 /nfs/dbraw/zinc/95/22/37/520952237.db2.gz VQHRGASTXQJQDC-KRWDZBQOSA-N 0 0 274.408 3.240 20 10 CGCDRN CCCC[C@H](CC)CNC(=O)Cc1ccc(N)cc1 ZINC000040806384 521175613 /nfs/dbraw/zinc/17/56/13/521175613.db2.gz KXNXRSCDZXZXGA-ZDUSSCGKSA-N 0 0 262.397 3.144 20 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CGCDRN CN(Cc1nccs1)Cc1c(O)cccc1Cl ZINC000129294174 523601208 /nfs/dbraw/zinc/60/12/08/523601208.db2.gz QVRJHTPZCTVPLH-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN CC[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000040675620 523777555 /nfs/dbraw/zinc/77/75/55/523777555.db2.gz FYZLFLVTLJXJGQ-KRWDZBQOSA-N 0 0 282.387 3.121 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)co1 ZINC000187988933 524106509 /nfs/dbraw/zinc/10/65/09/524106509.db2.gz VEPWPSCQEDCXGW-UHFFFAOYSA-N 0 0 284.359 3.118 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)c2ccccc2)cc1F ZINC000279731032 524353692 /nfs/dbraw/zinc/35/36/92/524353692.db2.gz NPLQTXMVEPVJLG-OAHLLOKOSA-N 0 0 275.323 3.004 20 10 CGCDRN Cc1cc(C)cc(NCc2cc3c(cc2O)OCO3)c1 ZINC000042879288 524437845 /nfs/dbraw/zinc/43/78/45/524437845.db2.gz DBRLVSSTZAKZLS-UHFFFAOYSA-N 0 0 271.316 3.350 20 10 CGCDRN COc1ccc(NCc2cc3c(cc2O)OCO3)c(C)c1 ZINC000061566812 524678502 /nfs/dbraw/zinc/67/85/02/524678502.db2.gz GNOLTIPZFQGECY-UHFFFAOYSA-N 0 0 287.315 3.050 20 10 CGCDRN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000280586218 525821573 /nfs/dbraw/zinc/82/15/73/525821573.db2.gz XDYBHXUWEOSTEK-YPMHNXCESA-N 0 0 283.799 3.171 20 10 CGCDRN Cc1c[nH]nc1CN(C)c1ccc(OC(C)C)cc1 ZINC000291608836 526022895 /nfs/dbraw/zinc/02/28/95/526022895.db2.gz QVJRPEXDQFVKDE-UHFFFAOYSA-N 0 0 259.353 3.142 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)oc2C)c1 ZINC000728985676 571852308 /nfs/dbraw/zinc/85/23/08/571852308.db2.gz ZTCKJHAFIFGLOF-SNVBAGLBSA-N 0 0 289.331 3.102 20 10 CGCDRN CCC/C=C\C(=O)NCc1ccc2c(c1)CCCN2C ZINC000729350069 571901441 /nfs/dbraw/zinc/90/14/41/571901441.db2.gz VKZMFQZXWFHGST-YVMONPNESA-N 0 0 272.392 3.042 20 10 CGCDRN Cc1nc(C(C)(C)NCc2c(O)ccc3ccccc32)no1 ZINC000729849835 571933818 /nfs/dbraw/zinc/93/38/18/571933818.db2.gz CKKRYTFWFJOBFH-UHFFFAOYSA-N 0 0 297.358 3.262 20 10 CGCDRN Cc1nc2cc(NC(=O)C3=CC(=O)CS3)ccc2o1 ZINC000731864616 572430113 /nfs/dbraw/zinc/43/01/13/572430113.db2.gz AISGNKOLEOUATQ-UHFFFAOYSA-N 0 0 274.301 3.156 20 10 CGCDRN CS[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000740084375 572432248 /nfs/dbraw/zinc/43/22/48/572432248.db2.gz XOYBLPCKRSSMAL-HNNXBMFYSA-N 0 0 287.384 3.113 20 10 CGCDRN Cc1cc(C)cc(COC(=O)C2=CC(=O)CS2)c1 ZINC000731909646 572436386 /nfs/dbraw/zinc/43/63/86/572436386.db2.gz HQSUKJOCCZGQSJ-UHFFFAOYSA-N 0 0 262.330 3.428 20 10 CGCDRN O=C(Nc1cnc(-c2ccccc2)nc1)C1=CC(=O)CS1 ZINC000732266509 572454870 /nfs/dbraw/zinc/45/48/70/572454870.db2.gz DWAGETSMBLIZDO-UHFFFAOYSA-N 0 0 297.339 3.163 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000732267507 572455275 /nfs/dbraw/zinc/45/52/75/572455275.db2.gz ISCSTCWDQUEEDK-JTQLQIEISA-N 0 0 261.346 3.253 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)C2=CC(=O)CS2)s1 ZINC000732276358 572456898 /nfs/dbraw/zinc/45/68/98/572456898.db2.gz HWHFMBQTKATKSK-MRVPVSSYSA-N 0 0 267.375 3.315 20 10 CGCDRN CCCOc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732272704 572457167 /nfs/dbraw/zinc/45/71/67/572457167.db2.gz NJMOGWRJUCRVDH-UHFFFAOYSA-N 0 0 291.372 3.173 20 10 CGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)C1=CC(=O)CS1 ZINC000732288002 572458967 /nfs/dbraw/zinc/45/89/67/572458967.db2.gz LKCWCCNZJYDHQT-ZDUSSCGKSA-N 0 0 273.357 3.179 20 10 CGCDRN Cc1ccc(C[C@@H](C)NC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732290665 572458971 /nfs/dbraw/zinc/45/89/71/572458971.db2.gz WBXIRPNPOOCABS-GFCCVEGCSA-N 0 0 289.400 3.432 20 10 CGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccc(F)cc1 ZINC000732353771 572461479 /nfs/dbraw/zinc/46/14/79/572461479.db2.gz VBSKTZVDSXQLHH-MRVPVSSYSA-N 0 0 294.303 3.021 20 10 CGCDRN CC1(C)C[C@@H]1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000732820804 572484998 /nfs/dbraw/zinc/48/49/98/572484998.db2.gz QAZZWWNIMTWNCB-SECBINFHSA-N 0 0 284.743 3.090 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC/C=C/c1ccccc1 ZINC000733042196 572501124 /nfs/dbraw/zinc/50/11/24/572501124.db2.gz GDAQVNNWWRKSLX-JXMROGBWSA-N 0 0 296.370 3.247 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC(C)(C)C)cc1 ZINC000741677830 572518397 /nfs/dbraw/zinc/51/83/97/572518397.db2.gz CKRIJLLDKTVTBI-UHFFFAOYSA-N 0 0 291.439 3.473 20 10 CGCDRN CCc1cc(NCc2ccc3c(c2)CCCN3C)ncn1 ZINC000733188527 572540554 /nfs/dbraw/zinc/54/05/54/572540554.db2.gz HQAGOUASRZWAPK-UHFFFAOYSA-N 0 0 282.391 3.034 20 10 CGCDRN C[C@H](CC(=O)NCc1ccccc1O)c1ccccc1F ZINC000726798836 572599377 /nfs/dbraw/zinc/59/93/77/572599377.db2.gz MPESZYISAZYGDR-GFCCVEGCSA-N 0 0 287.334 3.341 20 10 CGCDRN Cc1ccsc1C(=O)NCCCSc1nccs1 ZINC000733878736 572609600 /nfs/dbraw/zinc/60/96/00/572609600.db2.gz FDYHRCYYHSEODR-UHFFFAOYSA-N 0 0 298.458 3.425 20 10 CGCDRN O=C(NCc1coc2ccccc12)C1=CC(=O)CS1 ZINC000734020518 572624775 /nfs/dbraw/zinc/62/47/75/572624775.db2.gz SJJJMPJQEUIVIT-UHFFFAOYSA-N 0 0 273.313 3.130 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)C(F)(F)F ZINC000743327654 572647760 /nfs/dbraw/zinc/64/77/60/572647760.db2.gz HAJPWOLSNSHKJR-JTQLQIEISA-N 0 0 289.297 3.329 20 10 CGCDRN C[C@@H]1CCC[C@H](CCNC(=O)C2=CC(=O)CS2)C1 ZINC000734558394 572665757 /nfs/dbraw/zinc/66/57/57/572665757.db2.gz SJIHIDQRGKHHDS-GHMZBOCLSA-N 0 0 267.394 3.400 20 10 CGCDRN CCC(CC)(CNC(=O)C1=CC(=O)CS1)SC ZINC000743754197 572682103 /nfs/dbraw/zinc/68/21/03/572682103.db2.gz SKBNDIRTGLAAJO-UHFFFAOYSA-N 0 0 273.423 3.105 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccn(C(C)C)n1 ZINC000735077140 572699163 /nfs/dbraw/zinc/69/91/63/572699163.db2.gz CQODOUDXBSALIO-UHFFFAOYSA-N 0 0 285.391 3.425 20 10 CGCDRN CN(Cc1cc2ccccc2o1)C(=O)C1=CC(=O)CS1 ZINC000746701338 572892426 /nfs/dbraw/zinc/89/24/26/572892426.db2.gz JUVVELGMQLAGPC-UHFFFAOYSA-N 0 0 287.340 3.472 20 10 CGCDRN Cc1ccc(F)c(NC(=S)NCc2cccc(F)n2)c1 ZINC000747721100 572942609 /nfs/dbraw/zinc/94/26/09/572942609.db2.gz LIIATYQDNZXOAQ-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1ccc(F)cc1NC(=O)NCc1ccccc1O ZINC000748439191 572976819 /nfs/dbraw/zinc/97/68/19/572976819.db2.gz YEODMAREJBPZRO-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN COc1cc(C)ccc1NC(=O)NCc1ccccc1O ZINC000748447737 572977475 /nfs/dbraw/zinc/97/74/75/572977475.db2.gz PDSFIEWBZVTMLZ-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN CCOc1ccc(N(CC)CCC(C)(C)O)cc1 ZINC000749841685 573046449 /nfs/dbraw/zinc/04/64/49/573046449.db2.gz BAFDKXWNZHVOJG-UHFFFAOYSA-N 0 0 251.370 3.073 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1C ZINC000833746818 605520356 /nfs/dbraw/zinc/52/03/56/605520356.db2.gz IYPOGNKRQAGSOY-YOEHRIQHSA-N 0 0 291.391 3.132 20 10 CGCDRN CCC/C(C)=C/C(=O)NCc1cccc(Cl)c1O ZINC000890757471 617814406 /nfs/dbraw/zinc/81/44/06/617814406.db2.gz FBEUAEKMSROHIF-CSKARUKUSA-N 0 0 267.756 3.408 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000806157015 617617554 /nfs/dbraw/zinc/61/75/54/617617554.db2.gz AEQKOLREZJBQPS-KWBADKCTSA-N 0 0 271.788 3.246 20 10 CGCDRN COc1ccc(CNc2ccnc(C(F)(F)F)c2)c(O)c1 ZINC000804682326 617794557 /nfs/dbraw/zinc/79/45/57/617794557.db2.gz NFQQYNYWCARVSD-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(F)cc(F)c1[O-] ZINC000806177922 617818748 /nfs/dbraw/zinc/81/87/48/617818748.db2.gz ABEHEKYLEWRQJV-VHSXEESVSA-N 0 0 287.375 3.464 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1cccc(Cl)c1 ZINC000082286995 617995286 /nfs/dbraw/zinc/99/52/86/617995286.db2.gz NXRWFQDAPYAGBA-UHFFFAOYSA-N 0 0 276.723 3.367 20 10 CGCDRN CCC1(NC(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000176017304 618216682 /nfs/dbraw/zinc/21/66/82/618216682.db2.gz UIPODHWHUUWXDM-UHFFFAOYSA-N 0 0 293.386 3.024 20 10 CGCDRN O=[N+]([O-])c1ccc(CSc2nccs2)cc1F ZINC000094775557 618416307 /nfs/dbraw/zinc/41/63/07/618416307.db2.gz LQQYYXLJWGBULP-UHFFFAOYSA-N 0 0 270.310 3.483 20 10 CGCDRN CN1CCCc2cc(CNC(=O)CCC3CCC3)ccc21 ZINC000176270258 618447448 /nfs/dbraw/zinc/44/74/48/618447448.db2.gz NZEUKGZTPOXXRS-UHFFFAOYSA-N 0 0 286.419 3.266 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(F)CC1 ZINC000309513622 618723669 /nfs/dbraw/zinc/72/36/69/618723669.db2.gz QMZNZYYOMUBWRW-UHFFFAOYSA-N 0 0 264.127 3.291 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)cc1[O-] ZINC000840873064 618738856 /nfs/dbraw/zinc/73/88/56/618738856.db2.gz QGGRSBXBMQJFID-FJJYHAOUSA-N 0 0 281.371 3.386 20 10 CGCDRN CCOc1ccccc1NC(=O)c1ccc(C)c(O)c1O ZINC000179406281 618781152 /nfs/dbraw/zinc/78/11/52/618781152.db2.gz BZDOXDVMYIVFLL-UHFFFAOYSA-N 0 0 287.315 3.057 20 10 CGCDRN CN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)c1ccon1 ZINC000892451234 618788458 /nfs/dbraw/zinc/78/84/58/618788458.db2.gz SHQRUYVTGQLQLR-AATRIKPKSA-N 0 0 291.376 3.105 20 10 CGCDRN CCN1C(=O)/C(=C\c2csc(C3CC3)n2)SC1=S ZINC000066405029 618849288 /nfs/dbraw/zinc/84/92/88/618849288.db2.gz VEZLBAWFHZCOBC-WEVVVXLNSA-N 0 0 296.442 3.242 20 10 CGCDRN COC1([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000840884439 618871716 /nfs/dbraw/zinc/87/17/16/618871716.db2.gz MRAFXCOROQAORO-MNOVXSKESA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H](NCc1nnc(C2CC2)s1)c1ccc(F)cc1O ZINC000840891626 618920304 /nfs/dbraw/zinc/92/03/04/618920304.db2.gz RIFUHKBRESCPLB-QMMMGPOBSA-N 0 0 293.367 3.111 20 10 CGCDRN Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000020090443 618975405 /nfs/dbraw/zinc/97/54/05/618975405.db2.gz RFNAYJYIUDLANU-UHFFFAOYSA-N 0 0 286.350 3.274 20 10 CGCDRN CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180618299 619017819 /nfs/dbraw/zinc/01/78/19/619017819.db2.gz BUEXUOAUTVEEME-PKNBQFBNSA-N 0 0 297.354 3.160 20 10 CGCDRN COc1ccc(N(C)Cc2scnc2C)cc1F ZINC000180773421 619019289 /nfs/dbraw/zinc/01/92/89/619019289.db2.gz SGJGQINYVKWQQP-UHFFFAOYSA-N 0 0 266.341 3.236 20 10 CGCDRN COc1cc(O)c(CN(C)c2cccc(C)c2)cc1OC ZINC000182119287 619032756 /nfs/dbraw/zinc/03/27/56/619032756.db2.gz DPSXSNFSMSDOJU-UHFFFAOYSA-N 0 0 287.359 3.354 20 10 CGCDRN Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000185402677 619061108 /nfs/dbraw/zinc/06/11/08/619061108.db2.gz OGUIHFBEYLHINN-SECBINFHSA-N 0 0 294.395 3.498 20 10 CGCDRN C[C@@H]1C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000072622127 625317634 /nfs/dbraw/zinc/31/76/34/625317634.db2.gz QCAINIKSLYQKGT-DOMZBBRYSA-N 0 0 285.343 3.170 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccc(O)cc1 ZINC000776086313 619109360 /nfs/dbraw/zinc/10/93/60/619109360.db2.gz FJWCCEUNABZQJX-UHFFFAOYSA-N 0 0 295.741 3.223 20 10 CGCDRN CCc1nnc(CN(C)c2ccc(OC(C)C)cc2)o1 ZINC000191588760 619110933 /nfs/dbraw/zinc/11/09/33/619110933.db2.gz PRWBVVVKLORZRW-UHFFFAOYSA-N 0 0 275.352 3.056 20 10 CGCDRN Cc1ccncc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000162636737 619120573 /nfs/dbraw/zinc/12/05/73/619120573.db2.gz YDMUHPVRYWUQKD-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN CC[C@@H](SC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178486109 619223487 /nfs/dbraw/zinc/22/34/87/619223487.db2.gz SRNQLQJOZRZCDM-OAHLLOKOSA-N 0 0 294.464 3.291 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000062747804 619282832 /nfs/dbraw/zinc/28/28/32/619282832.db2.gz JLIURNRAMAPIRF-RISCZKNCSA-N 0 0 287.334 3.186 20 10 CGCDRN Cc1nc(NCc2ccccc2O)ccc1Br ZINC000230077805 619285506 /nfs/dbraw/zinc/28/55/06/619285506.db2.gz KIIOZWQIXNULHY-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CCCO[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894017320 619351154 /nfs/dbraw/zinc/35/11/54/619351154.db2.gz LRSZSHIKASPGRE-CQSZACIVSA-N 0 0 299.361 3.452 20 10 CGCDRN Cc1c(Cl)cccc1C(=O)NCc1ccccc1O ZINC000082286859 625347129 /nfs/dbraw/zinc/34/71/29/625347129.db2.gz HXQMYTVMVBEDNS-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C(C)C)c[nH]2)cc1OC ZINC000894462246 619545637 /nfs/dbraw/zinc/54/56/37/619545637.db2.gz SHONBGUMCJYIGA-UHFFFAOYSA-N 0 0 289.379 3.187 20 10 CGCDRN COc1cc(C)cc(CN[C@@H](C(C)C)C(F)(F)F)c1O ZINC000894538486 619569193 /nfs/dbraw/zinc/56/91/93/619569193.db2.gz QVJCRFGWHYFIOS-ZDUSSCGKSA-N 0 0 291.313 3.386 20 10 CGCDRN C[C@H]1C[NH+](Cc2cc(F)cc(F)c2[O-])C[C@H](C)C1(F)F ZINC000895387753 619818522 /nfs/dbraw/zinc/81/85/22/619818522.db2.gz FDXRCWJTWJQPIY-IUCAKERBSA-N 0 0 291.288 3.394 20 10 CGCDRN C[C@@H]1C[NH+](Cc2cc(F)cc(F)c2[O-])C[C@@H](C)C1(F)F ZINC000895387754 619818561 /nfs/dbraw/zinc/81/85/61/619818561.db2.gz FDXRCWJTWJQPIY-RKDXNWHRSA-N 0 0 291.288 3.394 20 10 CGCDRN Cc1cc(O)c(CN2CC[C@@H]2C(F)F)cc1Cl ZINC000895430484 619825006 /nfs/dbraw/zinc/82/50/06/619825006.db2.gz FOWVGTCBAPUBIV-SNVBAGLBSA-N 0 0 261.699 3.193 20 10 CGCDRN C[N@H+](Cc1ccns1)Cc1cccc(Cl)c1[O-] ZINC000895453543 619830420 /nfs/dbraw/zinc/83/04/20/619830420.db2.gz MGOBEVQJWXHFPT-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN CC(C)(C)C1CC(NC(=O)Nc2ccc(N)cc2)C1 ZINC000841299460 619836864 /nfs/dbraw/zinc/83/68/64/619836864.db2.gz LCCMLBBCEPDPIJ-UHFFFAOYSA-N 0 0 261.369 3.215 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(F)F ZINC000895533579 619843107 /nfs/dbraw/zinc/84/31/07/619843107.db2.gz ZFOMMKCFFOHZMF-UHFFFAOYSA-N 0 0 279.277 3.441 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000895676964 619867583 /nfs/dbraw/zinc/86/75/83/619867583.db2.gz GPOMROQVEOGYOM-LBPRGKRZSA-N 0 0 299.773 3.376 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCC2(COC2)CC1 ZINC000895695172 619873254 /nfs/dbraw/zinc/87/32/54/619873254.db2.gz SRUTZAQJZLAXEM-UHFFFAOYSA-N 0 0 299.773 3.234 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)ccc(F)c1F ZINC000895806650 619889489 /nfs/dbraw/zinc/88/94/89/619889489.db2.gz GCCZECJIILKUCB-LBPRGKRZSA-N 0 0 297.345 3.109 20 10 CGCDRN C[C@H](Cc1cccs1)[NH2+]Cc1c([O-])cccc1F ZINC000896636240 620040950 /nfs/dbraw/zinc/04/09/50/620040950.db2.gz BGPFOVMLOHXTES-SNVBAGLBSA-N 0 0 265.353 3.314 20 10 CGCDRN CC(C)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)CS1 ZINC000896638637 620041511 /nfs/dbraw/zinc/04/15/11/620041511.db2.gz WZIRGFSRNBVHRT-IINYFYTJSA-N 0 0 269.385 3.151 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897510175 620359621 /nfs/dbraw/zinc/35/96/21/620359621.db2.gz MMLZTDHFYPQUNV-OCCSQVGLSA-N 0 0 299.773 3.232 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CC(C)C ZINC000841755616 620398876 /nfs/dbraw/zinc/39/88/76/620398876.db2.gz KJLUZBBLHHKSHV-WCQYABFASA-N 0 0 269.360 3.243 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898112414 620479194 /nfs/dbraw/zinc/47/91/94/620479194.db2.gz RECLYYXMAFWECU-CYBMUJFWSA-N 0 0 299.773 3.376 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC12CCC2 ZINC000898218199 620489024 /nfs/dbraw/zinc/48/90/24/620489024.db2.gz AOPBNAOPNZCUOO-LBPRGKRZSA-N 0 0 251.757 3.468 20 10 CGCDRN FC(F)(F)[C@H](Sc1nccs1)[C@@H]1CCOC1 ZINC000901477017 620891741 /nfs/dbraw/zinc/89/17/41/620891741.db2.gz MPZTWHPJBJKNNL-RNFRBKRXSA-N 0 0 269.313 3.203 20 10 CGCDRN Cc1ccc2c(c1)/C(=C\c1cncn1C(C)C)C(=O)N2C ZINC000901511485 620903130 /nfs/dbraw/zinc/90/31/30/620903130.db2.gz VYXMZXOZVXBGHT-OVCLIPMQSA-N 0 0 281.359 3.289 20 10 CGCDRN Cc1nnc(CCSc2ncc(C(C)(C)C)s2)o1 ZINC000901509388 620907362 /nfs/dbraw/zinc/90/73/62/620907362.db2.gz OKPKLBQDIHHYQL-UHFFFAOYSA-N 0 0 283.422 3.467 20 10 CGCDRN CNc1ccc(C)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000902157956 621175201 /nfs/dbraw/zinc/17/52/01/621175201.db2.gz PVKAQNLDEUKWQM-UHFFFAOYSA-N 0 0 282.387 3.261 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903316321 621686484 /nfs/dbraw/zinc/68/64/84/621686484.db2.gz DJGYRCUWBQKNLX-IUCAKERBSA-N 0 0 289.206 3.054 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000903317607 621688285 /nfs/dbraw/zinc/68/82/85/621688285.db2.gz MMSKWVWBMUYUGY-HTTKSJEASA-N 0 0 289.375 3.018 20 10 CGCDRN C[C@H](N[C@@H](c1ncccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903334338 621690117 /nfs/dbraw/zinc/69/01/17/621690117.db2.gz XSHOJDUHKRPUTQ-SUMWQHHRSA-N 0 0 296.418 3.345 20 10 CGCDRN O=[N+]([O-])c1cccc(F)c1NCc1ccccc1O ZINC000083451516 625521072 /nfs/dbraw/zinc/52/10/72/625521072.db2.gz HBYKWBOVYFERGF-UHFFFAOYSA-N 0 0 262.240 3.052 20 10 CGCDRN CCCCN(O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000904182721 621882511 /nfs/dbraw/zinc/88/25/11/621882511.db2.gz NQKSJGQKJPMLNI-LBPRGKRZSA-N 0 0 279.384 3.015 20 10 CGCDRN CCOc1ccc(CNc2nnc(C3CCC3)o2)c(O)c1 ZINC000905426022 622074014 /nfs/dbraw/zinc/07/40/14/622074014.db2.gz GFVSYJDGYDONOB-UHFFFAOYSA-N 0 0 289.335 3.054 20 10 CGCDRN COc1cccc(CN2CCc3cc(F)ccc32)c1O ZINC000802658029 622332307 /nfs/dbraw/zinc/33/23/07/622332307.db2.gz ZOKMJBDAURQSCJ-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ncc(Cl)n1C ZINC000027959819 622438777 /nfs/dbraw/zinc/43/87/77/622438777.db2.gz FNVMFENFYHHSKA-UHFFFAOYSA-N 0 0 291.782 3.035 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccc(O)cc1O)C1CCCCC1 ZINC000910953838 622510022 /nfs/dbraw/zinc/51/00/22/622510022.db2.gz GOXZLPNDNPBXIA-LBPRGKRZSA-N 0 0 291.391 3.321 20 10 CGCDRN CC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000150724637 622653312 /nfs/dbraw/zinc/65/33/12/622653312.db2.gz CJFVWSCCINIEME-SNVBAGLBSA-N 0 0 272.304 3.206 20 10 CGCDRN CCOc1ccc(N(C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000150733586 622657813 /nfs/dbraw/zinc/65/78/13/622657813.db2.gz LIKXPCQOFIQYQB-KRWDZBQOSA-N 0 0 289.350 3.394 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1nc(Cl)cs1 ZINC000876514077 622737472 /nfs/dbraw/zinc/73/74/72/622737472.db2.gz NIEGPOUKNDYPLG-UHFFFAOYSA-N 0 0 280.780 3.368 20 10 CGCDRN CCCC[C@@H](CCC)NC(=O)c1cccc(O)c1O ZINC000229413139 623129147 /nfs/dbraw/zinc/12/91/47/623129147.db2.gz WJMWTCMHXVJPAC-LLVKDONJSA-N 0 0 265.353 3.187 20 10 CGCDRN CC(C)C(CNC(=O)Nc1ccc(N)cc1)C(C)C ZINC000229574171 623145185 /nfs/dbraw/zinc/14/51/85/623145185.db2.gz DUOWGRWMBUKRFP-UHFFFAOYSA-N 0 0 263.385 3.319 20 10 CGCDRN CC(C)[NH+](CCNCc1c(O)cccc1Cl)C(C)C ZINC000083551421 625644586 /nfs/dbraw/zinc/64/45/86/625644586.db2.gz YTYPSNIRNSFQIN-UHFFFAOYSA-N 0 0 284.831 3.254 20 10 CGCDRN COc1cc(F)ccc1NCc1cc(F)ccc1O ZINC000083480720 623420727 /nfs/dbraw/zinc/42/07/27/623420727.db2.gz UIGMMXLIIBESQJ-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H]2C)c1 ZINC000914166133 623683341 /nfs/dbraw/zinc/68/33/41/623683341.db2.gz XYTZFHQDBXSQRK-LBPRGKRZSA-N 0 0 296.370 3.141 20 10 CGCDRN Cc1nc(CNCc2ccc3c(c2)CCCO3)cs1 ZINC000921561457 625683785 /nfs/dbraw/zinc/68/37/85/625683785.db2.gz GGNDGZOZQRSEIW-UHFFFAOYSA-N 0 0 274.389 3.066 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCc1ccc(F)cc1 ZINC000917309338 624258877 /nfs/dbraw/zinc/25/88/77/624258877.db2.gz OOFGKIUSICCTCN-UHFFFAOYSA-N 0 0 287.334 3.123 20 10 CGCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCCCSc1nccs1 ZINC000154557422 624316545 /nfs/dbraw/zinc/31/65/45/624316545.db2.gz OTJJNVULHLRZLT-WDEREUQCSA-N 0 0 299.465 3.065 20 10 CGCDRN CCCCN(C)C(=O)NCCCSc1nccs1 ZINC000154625273 624328972 /nfs/dbraw/zinc/32/89/72/624328972.db2.gz QASCTZUYNHWGEE-UHFFFAOYSA-N 0 0 287.454 3.067 20 10 CGCDRN O=[S@@](CCSc1ncc(Cl)s1)C(F)(F)F ZINC000918086379 624332481 /nfs/dbraw/zinc/33/24/81/624332481.db2.gz GLUGNTKMMABZRL-HNNXBMFYSA-N 0 0 295.760 3.157 20 10 CGCDRN Cc1ccc2c(c1)OCCN2Cc1ccccc1O ZINC000154894047 624389271 /nfs/dbraw/zinc/38/92/71/624389271.db2.gz HYFGVJQUALEXDF-UHFFFAOYSA-N 0 0 255.317 3.100 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]2C)cc1 ZINC000920039252 624440868 /nfs/dbraw/zinc/44/08/68/624440868.db2.gz FJIACCVZFUXVOS-LBPRGKRZSA-N 0 0 268.360 3.329 20 10 CGCDRN CN(C)c1ccc(/C=C2/N=C(c3ccsc3)OC2=O)cc1 ZINC000920392551 624492421 /nfs/dbraw/zinc/49/24/21/624492421.db2.gz OIBBJMFVRHAOTE-NTEUORMPSA-N 0 0 298.367 3.159 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]1C ZINC000920463524 624500974 /nfs/dbraw/zinc/50/09/74/624500974.db2.gz KZMKEFQNKKNBIG-SNVBAGLBSA-N 0 0 274.389 3.390 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCC2CCC2)c1 ZINC000175263091 624624290 /nfs/dbraw/zinc/62/42/90/624624290.db2.gz YQJLKXORYUQPJZ-NSHDSACASA-N 0 0 277.364 3.158 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c[nH]nc3c2)cc1F ZINC000180772678 624771119 /nfs/dbraw/zinc/77/11/19/624771119.db2.gz UYVAVMZYNSBITF-UHFFFAOYSA-N 0 0 285.322 3.347 20 10 CGCDRN C[C@H]1CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC000181113989 624810010 /nfs/dbraw/zinc/81/00/10/624810010.db2.gz UALSQSSEXNQSHO-JCMXSCAWSA-N 0 0 289.375 3.052 20 10 CGCDRN CC(C)(C)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181113244 624810102 /nfs/dbraw/zinc/81/01/02/624810102.db2.gz VUNKMBBXSPVLMK-SOFGYWHQSA-N 0 0 277.364 3.054 20 10 CGCDRN CC1(C)CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181187729 624820393 /nfs/dbraw/zinc/82/03/93/624820393.db2.gz OOACAQTWEQDMNG-HEWZJLJBSA-N 0 0 289.375 3.196 20 10 CGCDRN CCN(CC)c1ccc(CN[C@H](C)c2nccn2C)cc1 ZINC000182501457 625006248 /nfs/dbraw/zinc/00/62/48/625006248.db2.gz IOBHVQSBZYLRKQ-CQSZACIVSA-N 0 0 286.423 3.117 20 10 CGCDRN CCCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000070754858 625032879 /nfs/dbraw/zinc/03/28/79/625032879.db2.gz ZVJFSZINJNJDNG-UHFFFAOYSA-N 0 0 277.412 3.084 20 10 CGCDRN Nc1ccccc1-c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000071822446 625191403 /nfs/dbraw/zinc/19/14/03/625191403.db2.gz OGIXUOMIVQIHKV-UHFFFAOYSA-N 0 0 284.340 3.471 20 10 CGCDRN COc1ccccc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000184861428 625277884 /nfs/dbraw/zinc/27/78/84/625277884.db2.gz RTLNSZAIGSXSAX-GFCCVEGCSA-N 0 0 289.350 3.433 20 10 CGCDRN Cc1ccc(O)c(CNCc2nc(C(C)(C)C)co2)c1 ZINC000922286284 625993260 /nfs/dbraw/zinc/99/32/60/625993260.db2.gz UWNRCFZLPWANPY-UHFFFAOYSA-N 0 0 274.364 3.276 20 10 CGCDRN Cc1cc(C(=O)Nc2ccccn2)c(C)n1-c1ccccn1 ZINC000073744534 626041962 /nfs/dbraw/zinc/04/19/62/626041962.db2.gz IYDNDOLSYZUVJT-UHFFFAOYSA-N 0 0 292.342 3.136 20 10 CGCDRN CC(C)CCOCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756504760 626095965 /nfs/dbraw/zinc/09/59/65/626095965.db2.gz SVMHPTATEJYOGX-LLVKDONJSA-N 0 0 287.350 3.384 20 10 CGCDRN CCCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873752024 634476738 /nfs/dbraw/zinc/47/67/38/634476738.db2.gz YIMXDAWTQLRKCW-UHFFFAOYSA-N 0 0 276.340 3.111 20 10 CGCDRN C[C@H]1Cc2cc(NCc3ccccc3O)ccc2O1 ZINC000922907219 626100616 /nfs/dbraw/zinc/10/06/16/626100616.db2.gz DTKFLEIQWMKXBV-NSHDSACASA-N 0 0 255.317 3.328 20 10 CGCDRN CCc1onc(C)c1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000922984137 626113416 /nfs/dbraw/zinc/11/34/16/626113416.db2.gz UIMWRIBKDLIMGR-UHFFFAOYSA-N 0 0 298.745 3.333 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(F)cc2C)c1 ZINC000020092072 634482347 /nfs/dbraw/zinc/48/23/47/634482347.db2.gz RCEKNCHSGOUUSH-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CC[C@H]1CC[C@H](NC(=O)NCc2ccccc2O)CC1 ZINC000838061797 626188950 /nfs/dbraw/zinc/18/89/50/626188950.db2.gz PTBYKHYZLWSFGY-MQMHXKEQSA-N 0 0 276.380 3.160 20 10 CGCDRN CCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCC1 ZINC000838313373 626211415 /nfs/dbraw/zinc/21/14/15/626211415.db2.gz WDOGWNHMFSYMQC-PLWJUESGSA-N 0 0 289.375 3.196 20 10 CGCDRN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccn(C)n1 ZINC000839191440 626328572 /nfs/dbraw/zinc/32/85/72/626328572.db2.gz POJZUZQVQQRLCM-OAHLLOKOSA-N 0 0 298.434 3.261 20 10 CGCDRN Cc1cccc(CN2CCCN2C(=O)OC(C)(C)C)c1O ZINC000788839789 626341498 /nfs/dbraw/zinc/34/14/98/626341498.db2.gz AEJFNBJMJKLMPX-UHFFFAOYSA-N 0 0 292.379 3.058 20 10 CGCDRN C/C=C(\CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000788963328 626357428 /nfs/dbraw/zinc/35/74/28/626357428.db2.gz GXNMNXFXWFETIQ-DTCSVVGVSA-N 0 0 260.381 3.286 20 10 CGCDRN CN1CCc2cc(/C=C3\C(=O)Nc4ccc(F)cc43)ccc21 ZINC000751542820 626395811 /nfs/dbraw/zinc/39/58/11/626395811.db2.gz MGMCHLUKSICUMT-DHDCSXOGSA-N 0 0 294.329 3.311 20 10 CGCDRN CS/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000751565179 626396257 /nfs/dbraw/zinc/39/62/57/626396257.db2.gz VENLBDWGGIIPAZ-ZHACJKMWSA-N 0 0 290.432 3.120 20 10 CGCDRN CN(C)c1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)cc1F ZINC000753147704 626446476 /nfs/dbraw/zinc/44/64/76/626446476.db2.gz QYVUZCUZPYMJBM-HYXAFXHYSA-N 0 0 287.294 3.365 20 10 CGCDRN C[C@H]1CC/C(=C\C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000753599414 626457774 /nfs/dbraw/zinc/45/77/74/626457774.db2.gz JIQBNGKQCDVBFP-YEQVNJDRSA-N 0 0 298.430 3.432 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCO1 ZINC000753660877 626461175 /nfs/dbraw/zinc/46/11/75/626461175.db2.gz JLWRRZWOUVOXIY-UHFFFAOYSA-N 0 0 284.359 3.180 20 10 CGCDRN COc1ccc(N(C)CC[C@H]2CCCCO2)cc1F ZINC000754059765 626473791 /nfs/dbraw/zinc/47/37/91/626473791.db2.gz DHAAEWPYLWNQFH-CYBMUJFWSA-N 0 0 267.344 3.230 20 10 CGCDRN O=C1/C(=C\c2cc(F)cc(F)c2)SC(=S)N1C1CC1 ZINC000755380233 626618545 /nfs/dbraw/zinc/61/85/45/626618545.db2.gz KZAFCJGPZOIYLP-VZUCSPMQSA-N 0 0 297.351 3.328 20 10 CGCDRN C[C@@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000756299463 626690048 /nfs/dbraw/zinc/69/00/48/626690048.db2.gz ZKOHRBIJBFPGQD-KBPBESRZSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756418115 626704456 /nfs/dbraw/zinc/70/44/56/626704456.db2.gz PUJNTKIIVYPXJT-NWDGAFQWSA-N 0 0 298.377 3.195 20 10 CGCDRN CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756454841 626707031 /nfs/dbraw/zinc/70/70/31/626707031.db2.gz ONRWXHXGFLLYDZ-TUAOUCFPSA-N 0 0 279.380 3.264 20 10 CGCDRN Cc1occc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756483659 626708622 /nfs/dbraw/zinc/70/86/22/626708622.db2.gz UHKTYXKYWITZST-SECBINFHSA-N 0 0 276.292 3.053 20 10 CGCDRN C[C@H]([NH2+]CC1(O)CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756513340 626711326 /nfs/dbraw/zinc/71/13/26/626711326.db2.gz HNZZVXVYKGUVKB-JTQLQIEISA-N 0 0 285.334 3.016 20 10 CGCDRN C[C@@H]([NH2+]CCN(C)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756550937 626714163 /nfs/dbraw/zinc/71/41/63/626714163.db2.gz UORKUSLVKXHLEY-LLVKDONJSA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@@H]([NH2+]CCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756649620 626724666 /nfs/dbraw/zinc/72/46/66/626724666.db2.gz QCULTYZGHAXYLR-ZCFIWIBFSA-N 0 0 269.213 3.273 20 10 CGCDRN CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756651894 626724626 /nfs/dbraw/zinc/72/46/26/626724626.db2.gz YKVXOQJPSIHTDE-YWPYICTPSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756764666 626730073 /nfs/dbraw/zinc/73/00/73/626730073.db2.gz JUDGVZOIMQJVLH-ZYHUDNBSSA-N 0 0 297.345 3.423 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756789437 626732742 /nfs/dbraw/zinc/73/27/42/626732742.db2.gz HJZSWOZGSHDUCR-SCZZXKLOSA-N 0 0 275.364 3.463 20 10 CGCDRN CCn1cc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756856555 626737782 /nfs/dbraw/zinc/73/77/82/626737782.db2.gz SAAQULJLQILEGD-CABZTGNLSA-N 0 0 275.327 3.408 20 10 CGCDRN COc1ccc(N(CCC2(O)CCC2)CC2CC2)cc1 ZINC000839617285 626766917 /nfs/dbraw/zinc/76/69/17/626766917.db2.gz ZAISFSQVMPYUBZ-UHFFFAOYSA-N 0 0 275.392 3.217 20 10 CGCDRN CC(C)CC1(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000757426342 626776198 /nfs/dbraw/zinc/77/61/98/626776198.db2.gz UZNGUZZYBTUSAX-UHFFFAOYSA-N 0 0 253.367 3.010 20 10 CGCDRN O=C(NCc1ccc(C2CCC2)cc1)c1cccc(O)c1O ZINC000757642422 626796923 /nfs/dbraw/zinc/79/69/23/626796923.db2.gz BDIMWAZFDSIYIV-UHFFFAOYSA-N 0 0 297.354 3.295 20 10 CGCDRN CN(C)c1ccc(OCCOc2ccccc2)cc1 ZINC000757716587 626804149 /nfs/dbraw/zinc/80/41/49/626804149.db2.gz BCNXAMCNRHRPKW-UHFFFAOYSA-N 0 0 257.333 3.210 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)CC2(C)CC2)C2CC2)cc1 ZINC000757956008 626817515 /nfs/dbraw/zinc/81/75/15/626817515.db2.gz RGAOMYOFIJVRME-UHFFFAOYSA-N 0 0 286.419 3.434 20 10 CGCDRN CC(C)CSCCCOC(=O)c1cccc(O)c1O ZINC000758547886 626848909 /nfs/dbraw/zinc/84/89/09/626848909.db2.gz NXDJKHUMDBKUSA-UHFFFAOYSA-N 0 0 284.377 3.034 20 10 CGCDRN C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000759170357 626877685 /nfs/dbraw/zinc/87/76/85/626877685.db2.gz IEAHNMATWLUSCA-CHWSQXEVSA-N 0 0 292.398 3.334 20 10 CGCDRN C[C@H]1CC[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000759170360 626877761 /nfs/dbraw/zinc/87/77/61/626877761.db2.gz IEAHNMATWLUSCA-QWHCGFSZSA-N 0 0 292.398 3.334 20 10 CGCDRN CCC(C)(C)CCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759587726 626907807 /nfs/dbraw/zinc/90/78/07/626907807.db2.gz DKWWACWYJJXXPI-VURMDHGXSA-N 0 0 278.348 3.481 20 10 CGCDRN CC1CCC(COC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000759594146 626908082 /nfs/dbraw/zinc/90/80/82/626908082.db2.gz LOTIHDSQEUVANV-CLFYSBASSA-N 0 0 290.359 3.481 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC12CCC2 ZINC000759712754 626916933 /nfs/dbraw/zinc/91/69/33/626916933.db2.gz BZDPYYQIUWZXPQ-MRXNPFEDSA-N 0 0 284.403 3.093 20 10 CGCDRN Cn1ccc(CSc2ncc(C(C)(C)C)s2)cc1=O ZINC000759714484 626917389 /nfs/dbraw/zinc/91/73/89/626917389.db2.gz QTPHGSPUKGTENS-UHFFFAOYSA-N 0 0 294.445 3.432 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCCc2cnn(C)c2)cc1 ZINC000759932345 626931917 /nfs/dbraw/zinc/93/19/17/626931917.db2.gz CFNBQLGWACQPDE-UHFFFAOYSA-N 0 0 287.407 3.276 20 10 CGCDRN CN1C(=O)/C(=C/c2cnc(C3CCC3)s2)SC1=S ZINC000760217234 626944727 /nfs/dbraw/zinc/94/47/27/626944727.db2.gz FQCBEVAKPLQMLW-UITAMQMPSA-N 0 0 296.442 3.242 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=CCCC1 ZINC000760463953 626972401 /nfs/dbraw/zinc/97/24/01/626972401.db2.gz VRSACIFPJSEFQL-UHFFFAOYSA-N 0 0 272.392 3.211 20 10 CGCDRN O=C(NCCCSc1nccs1)C1CCC=CCC1 ZINC000874466406 634546335 /nfs/dbraw/zinc/54/63/35/634546335.db2.gz ODGAGYZHDPOMHJ-UHFFFAOYSA-N 0 0 296.461 3.488 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2c1CCCC2 ZINC000763355540 627153461 /nfs/dbraw/zinc/15/34/61/627153461.db2.gz LYGINELGAPKGJJ-UHFFFAOYSA-N 0 0 296.418 3.342 20 10 CGCDRN C[C@H]1CN(Cc2ccccc2O)c2ccccc2O1 ZINC000765652302 627265430 /nfs/dbraw/zinc/26/54/30/627265430.db2.gz SIYYNPUBBCOSDA-LBPRGKRZSA-N 0 0 255.317 3.180 20 10 CGCDRN COc1ccc(N(Cc2cc(C)n(C)n2)C(C)C)cc1F ZINC000767894644 627441509 /nfs/dbraw/zinc/44/15/09/627441509.db2.gz VVHBXORYJZDEMJ-UHFFFAOYSA-N 0 0 291.370 3.291 20 10 CGCDRN CCOc1ccc(C[N@H+](C)Cc2cccs2)c(O)c1 ZINC000768160776 627464585 /nfs/dbraw/zinc/46/45/85/627464585.db2.gz PHKNEDKXCNYBDR-UHFFFAOYSA-N 0 0 277.389 3.484 20 10 CGCDRN COc1ccc(CNC(=O)C2=CC(=O)CS2)cc1Cl ZINC000768288770 627472476 /nfs/dbraw/zinc/47/24/76/627472476.db2.gz KNSNEQHVMNMGKE-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CC(C)CC[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000768348825 627475296 /nfs/dbraw/zinc/47/52/96/627475296.db2.gz WEAWQZBBFHPTLQ-NSHDSACASA-N 0 0 267.394 3.495 20 10 CGCDRN O=C(NC1CCC(C(F)F)CC1)C1=CC(=O)CS1 ZINC000839800267 627488710 /nfs/dbraw/zinc/48/87/10/627488710.db2.gz VQJYTSVTUDJQST-UHFFFAOYSA-N 0 0 275.320 3.007 20 10 CGCDRN O=C(C/C=C\c1ccc(F)cc1)NCc1ccccc1O ZINC000769364167 627545167 /nfs/dbraw/zinc/54/51/67/627545167.db2.gz YNJCJRZLAKQMAB-ARJAWSKDSA-N 0 0 285.318 3.251 20 10 CGCDRN C[C@@H]1C[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769448374 627553881 /nfs/dbraw/zinc/55/38/81/627553881.db2.gz MMYOPCRWBAZXKW-RKDXNWHRSA-N 0 0 284.743 3.042 20 10 CGCDRN COc1cccc(O)c1CNc1cc(C)ccc1F ZINC000770411507 627617656 /nfs/dbraw/zinc/61/76/56/627617656.db2.gz BQYYZHOJPUZVKD-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccccc1OC ZINC000772044152 627758464 /nfs/dbraw/zinc/75/84/64/627758464.db2.gz SRTHORYYNYYTIO-MDZDMXLPSA-N 0 0 296.370 3.465 20 10 CGCDRN COc1cc(NCc2ccccc2O)c([N+](=O)[O-])cc1F ZINC000774524382 628001644 /nfs/dbraw/zinc/00/16/44/628001644.db2.gz RQBHPCMKDRPVFV-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C/C(Cl)=C\Cl ZINC000774751452 628023767 /nfs/dbraw/zinc/02/37/67/628023767.db2.gz MZQSQSMCCBCGHF-CSKARUKUSA-N 0 0 287.190 3.270 20 10 CGCDRN COc1c([O-])c(C[NH2+]CCCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000775028489 628054577 /nfs/dbraw/zinc/05/45/77/628054577.db2.gz RLKCUFGQZQIAEA-UHFFFAOYSA-N 0 0 296.367 3.225 20 10 CGCDRN Oc1cc2c(cc1CNc1cccc3cc[nH]c31)OCO2 ZINC000775341952 628084440 /nfs/dbraw/zinc/08/44/40/628084440.db2.gz SYZYJDVPQANRHM-UHFFFAOYSA-N 0 0 282.299 3.214 20 10 CGCDRN C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc(N(C)C)cc1 ZINC000775409346 628091626 /nfs/dbraw/zinc/09/16/26/628091626.db2.gz FPIKFBBKPNBSBI-JBNJFFQFSA-N 0 0 295.386 3.038 20 10 CGCDRN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(C)c1O ZINC000775643042 628118313 /nfs/dbraw/zinc/11/83/13/628118313.db2.gz RPWOIFPHFJNXDQ-SMDDNHRTSA-N 0 0 283.799 3.353 20 10 CGCDRN C[N@H+](CCC1CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775740405 628132067 /nfs/dbraw/zinc/13/20/67/628132067.db2.gz WBEHYNMQAYNEAN-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN CC(C)[C@@H]1CC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000775764918 628134591 /nfs/dbraw/zinc/13/45/91/628134591.db2.gz LPRUZLWIPNWRRN-LBPRGKRZSA-N 0 0 284.197 3.385 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000776177516 628176951 /nfs/dbraw/zinc/17/69/51/628176951.db2.gz QSEVNSHTZZZOIO-ZIAGYGMSSA-N 0 0 295.810 3.483 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCC1CC1 ZINC000776208454 628181029 /nfs/dbraw/zinc/18/10/29/628181029.db2.gz GCLQIUHEMMNBIW-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN COC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccco1 ZINC000776230471 628182743 /nfs/dbraw/zinc/18/27/43/628182743.db2.gz JFXCNKODGFJQFG-GFCCVEGCSA-N 0 0 299.729 3.255 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000776251710 628184650 /nfs/dbraw/zinc/18/46/50/628184650.db2.gz UUUCWKXDJLQCJT-LBPRGKRZSA-N 0 0 295.745 3.075 20 10 CGCDRN CC(C)C1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776250548 628184667 /nfs/dbraw/zinc/18/46/67/628184667.db2.gz VMKGDPWOOIFXAO-ZDUSSCGKSA-N 0 0 289.423 3.111 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000776251626 628184792 /nfs/dbraw/zinc/18/47/92/628184792.db2.gz PGHQFXJPNZAZFY-VIFPVBQESA-N 0 0 279.689 3.462 20 10 CGCDRN CCCc1cnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000776552711 628219369 /nfs/dbraw/zinc/21/93/69/628219369.db2.gz WCAFGMHSFFYSCI-UHFFFAOYSA-N 0 0 268.363 3.115 20 10 CGCDRN CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000776646548 628224069 /nfs/dbraw/zinc/22/40/69/628224069.db2.gz YLRXROZNNSFQRR-DGCLKSJQSA-N 0 0 277.364 3.187 20 10 CGCDRN Cc1ccccc1CC(C)(C)NC(=O)c1cccc(O)c1O ZINC000776647641 628224110 /nfs/dbraw/zinc/22/41/10/628224110.db2.gz KXHBGRASUMLTJZ-UHFFFAOYSA-N 0 0 299.370 3.157 20 10 CGCDRN CC(C)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778930006 628378606 /nfs/dbraw/zinc/37/86/06/628378606.db2.gz OYTWKJIFNSBHFZ-UHFFFAOYSA-N 0 0 285.343 3.151 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1ccc(C)nc1 ZINC000779472787 628415172 /nfs/dbraw/zinc/41/51/72/628415172.db2.gz IZWCGIYMNKMZGP-VAWYXSNFSA-N 0 0 296.370 3.465 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]1c1ccccc1 ZINC000779495630 628415443 /nfs/dbraw/zinc/41/54/43/628415443.db2.gz FPLNKBDLAFMBJA-VIHMKRCTSA-N 0 0 295.338 3.085 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC000779500986 628415935 /nfs/dbraw/zinc/41/59/35/628415935.db2.gz QGYGKUBNFJEWEC-TWGQIWQCSA-N 0 0 297.354 3.391 20 10 CGCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(O)c2)C1 ZINC000779663910 628419636 /nfs/dbraw/zinc/41/96/36/628419636.db2.gz SIROLYKTYOZKBX-FWWRYZNZSA-N 0 0 294.354 3.026 20 10 CGCDRN CC/C(C)=C(/C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000779951760 628445081 /nfs/dbraw/zinc/44/50/81/628445081.db2.gz STNFVZINDKKTCA-OWBHPGMISA-N 0 0 274.408 3.424 20 10 CGCDRN CC[C@@H]([NH2+]CC(C)(C)CO)c1cccc(Cl)c1[O-] ZINC000806148461 628504565 /nfs/dbraw/zinc/50/45/65/628504565.db2.gz GYEGJOATQPSSAR-GFCCVEGCSA-N 0 0 271.788 3.105 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000780622109 628505231 /nfs/dbraw/zinc/50/52/31/628505231.db2.gz QEQNNHMDZBRZDZ-VNHYZAJKSA-N 0 0 289.423 3.301 20 10 CGCDRN CCN(C)c1ccc([C@H](C)NCc2nnc(C)s2)cc1 ZINC000780743057 628512870 /nfs/dbraw/zinc/51/28/70/628512870.db2.gz FXYGKZOETDUKBZ-NSHDSACASA-N 0 0 290.436 3.153 20 10 CGCDRN CC[C@H]1C[C@H](CN2CCc3cc(OC)ccc32)CCO1 ZINC000780754366 628514279 /nfs/dbraw/zinc/51/42/79/628514279.db2.gz NZPYVZLKTIXUTR-HIFRSBDPSA-N 0 0 275.392 3.263 20 10 CGCDRN CC[C@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC000780858621 628520487 /nfs/dbraw/zinc/52/04/87/628520487.db2.gz MWXDOSUQBPBNAW-CYBMUJFWSA-N 0 0 299.370 3.330 20 10 CGCDRN Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(C)c(O)c1O ZINC000780931414 628525052 /nfs/dbraw/zinc/52/50/52/628525052.db2.gz JHKBHQCFDPMKJH-OAHLLOKOSA-N 0 0 297.354 3.132 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C2CCC2)c1 ZINC000781912511 628604814 /nfs/dbraw/zinc/60/48/14/628604814.db2.gz QHZVDMXAHYWGNI-UHFFFAOYSA-N 0 0 284.197 3.447 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783306729 628701803 /nfs/dbraw/zinc/70/18/03/628701803.db2.gz MAZURNLXUMZCKO-GMTAPVOTSA-N 0 0 264.325 3.140 20 10 CGCDRN Cc1ccncc1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000875447702 634699754 /nfs/dbraw/zinc/69/97/54/634699754.db2.gz KEUVGOSPIRLUJE-STQMWFEESA-N 0 0 299.374 3.217 20 10 CGCDRN COc1cc(C)cc(NC(=O)C2=CC(=O)CS2)c1C ZINC000787927749 629035378 /nfs/dbraw/zinc/03/53/78/629035378.db2.gz IPLGGNAWMMUPGJ-UHFFFAOYSA-N 0 0 277.345 3.331 20 10 CGCDRN Cn1ccc2cccc(NC(=O)NCc3ccccc3O)c21 ZINC000788313999 629045214 /nfs/dbraw/zinc/04/52/14/629045214.db2.gz FVRZSEKIBMVJSU-UHFFFAOYSA-N 0 0 295.342 3.206 20 10 CGCDRN COC[C@@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788562335 629064903 /nfs/dbraw/zinc/06/49/03/629064903.db2.gz GVZXHDMRTGLRBF-VHSXEESVSA-N 0 0 291.313 3.344 20 10 CGCDRN CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788592400 629066780 /nfs/dbraw/zinc/06/67/80/629066780.db2.gz BXOGDQVZHBNISQ-RNCFNFMXSA-N 0 0 291.313 3.223 20 10 CGCDRN CN(CCCCOC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000789353347 629126590 /nfs/dbraw/zinc/12/65/90/629126590.db2.gz WANNWGGJBVYSLO-UHFFFAOYSA-N 0 0 279.380 3.447 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CC[C@H](C)O1 ZINC000789362393 629127703 /nfs/dbraw/zinc/12/77/03/629127703.db2.gz JLOBMNIEIAITBJ-XJKSGUPXSA-N 0 0 275.392 3.405 20 10 CGCDRN O=C(Nc1ccc(O)c2ccccc12)c1cccc(O)c1O ZINC000790496342 629213673 /nfs/dbraw/zinc/21/36/73/629213673.db2.gz KTYQQUFDUPNXLN-UHFFFAOYSA-N 0 0 295.294 3.209 20 10 CGCDRN CC(C)(C)CCCCNC(=O)c1cccc(O)c1O ZINC000790648846 629223125 /nfs/dbraw/zinc/22/31/25/629223125.db2.gz KSOVBSRPQPXGFC-UHFFFAOYSA-N 0 0 265.353 3.044 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000790948943 629242175 /nfs/dbraw/zinc/24/21/75/629242175.db2.gz NLNVOYBTTXMCPQ-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN CCCCN(C)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790958782 629242801 /nfs/dbraw/zinc/24/28/01/629242801.db2.gz NPPRKEOEACRBGK-UHFFFAOYSA-N 0 0 288.794 3.006 20 10 CGCDRN Cc1nc(Cl)ccc1NC(=O)C1=CC(=O)CS1 ZINC000791038344 629252323 /nfs/dbraw/zinc/25/23/23/629252323.db2.gz DKMPDKPEFCTEOL-UHFFFAOYSA-N 0 0 268.725 3.063 20 10 CGCDRN CCC(O)(CC)C[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000862540022 629396022 /nfs/dbraw/zinc/39/60/22/629396022.db2.gz XDSQLLLOGHKSGB-UHFFFAOYSA-N 0 0 289.778 3.168 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000862755399 629430131 /nfs/dbraw/zinc/43/01/31/629430131.db2.gz SALLXGIIFQCBCR-HZSPNIEDSA-N 0 0 275.392 3.389 20 10 CGCDRN CC[C@@H](CC(F)(F)F)C(=O)NCc1cc(C)ccc1O ZINC000862755788 629430207 /nfs/dbraw/zinc/43/02/07/629430207.db2.gz YINHLPBQFKXWOF-JTQLQIEISA-N 0 0 289.297 3.295 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2CCC(F)(F)CC2)c1 ZINC000862758370 629430522 /nfs/dbraw/zinc/43/05/22/629430522.db2.gz WDLGVHACJJYRDC-UHFFFAOYSA-N 0 0 283.318 3.142 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Cc2cc(C)ccc2C)c1 ZINC000862759738 629431040 /nfs/dbraw/zinc/43/10/40/629431040.db2.gz HRQCCIMURKCQHI-UHFFFAOYSA-N 0 0 283.371 3.176 20 10 CGCDRN CCCc1ncc(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862759282 629431120 /nfs/dbraw/zinc/43/11/20/629431120.db2.gz AVTFVZSYMIFRNU-UHFFFAOYSA-N 0 0 290.388 3.040 20 10 CGCDRN CCO/C=C\C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863164374 629488042 /nfs/dbraw/zinc/48/80/42/629488042.db2.gz IBKYJDQBOPJEAC-KHPPLWFESA-N 0 0 298.386 3.261 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(OC)ccc1O ZINC000793689923 629495990 /nfs/dbraw/zinc/49/59/90/629495990.db2.gz QHXIEGZHRSYXTB-DOMZBBRYSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(CNC(=O)CCCc2ccccc2)c(O)c1 ZINC000794390131 629539080 /nfs/dbraw/zinc/53/90/80/629539080.db2.gz XMFVEFIDXIEJNE-UHFFFAOYSA-N 0 0 299.370 3.040 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C2)c1 ZINC000794840291 629585956 /nfs/dbraw/zinc/58/59/56/629585956.db2.gz IBGVOZRTYVDDTE-RWMBFGLXSA-N 0 0 291.391 3.266 20 10 CGCDRN COc1ccc(CNc2ncc(Cl)s2)c(O)c1 ZINC000795284055 629655933 /nfs/dbraw/zinc/65/59/33/629655933.db2.gz HDTPDLMIOPHEGW-UHFFFAOYSA-N 0 0 270.741 3.123 20 10 CGCDRN COc1ccc(CNc2ncnc3ccc(F)cc32)c(O)c1 ZINC000795286089 629657528 /nfs/dbraw/zinc/65/75/28/629657528.db2.gz ZNDJCOMTZCYUJZ-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN Cc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)c(F)c1 ZINC000864355253 629817488 /nfs/dbraw/zinc/81/74/88/629817488.db2.gz GBYIVGLVOONSPY-KPKJPENVSA-N 0 0 293.388 3.498 20 10 CGCDRN CC[C@H]1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000836557818 634776409 /nfs/dbraw/zinc/77/64/09/634776409.db2.gz LAGVXQSCZWEEPR-STQMWFEESA-N 0 0 276.380 3.018 20 10 CGCDRN C[C@H]1C[C@H]1c1nnc(NCc2c(O)cccc2Cl)o1 ZINC000865295726 630057471 /nfs/dbraw/zinc/05/74/71/630057471.db2.gz KOPFAEZFMVXRSG-JGVFFNPUSA-N 0 0 279.727 3.164 20 10 CGCDRN COC(=O)c1cnc(SCc2coc(C3CC3)n2)s1 ZINC000865369431 630079479 /nfs/dbraw/zinc/07/94/79/630079479.db2.gz WCHPLKIEMBHCTH-UHFFFAOYSA-N 0 0 296.373 3.087 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000799730065 630226722 /nfs/dbraw/zinc/22/67/22/630226722.db2.gz WQSVXYJFEUJEKT-XEGUGMAKSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)no1 ZINC000800310553 630264863 /nfs/dbraw/zinc/26/48/63/630264863.db2.gz AKGPJRVMAKSAJJ-LLVKDONJSA-N 0 0 277.343 3.039 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2=CC[C@H](C)CC2)c1 ZINC000836777796 634800790 /nfs/dbraw/zinc/80/07/90/634800790.db2.gz PFNPQBAKUFJODT-RYUDHWBXSA-N 0 0 289.375 3.324 20 10 CGCDRN COc1cc(NCc2cc(F)ccc2O)c(C)c(OC)c1 ZINC000800530713 630291945 /nfs/dbraw/zinc/29/19/45/630291945.db2.gz OEEWKDQPARNQSX-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN CC/C=C(/C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839922847 630308277 /nfs/dbraw/zinc/30/82/77/630308277.db2.gz ZQYXNYIRCGYLMB-JEMSNHSXSA-N 0 0 288.435 3.465 20 10 CGCDRN CO[C@@H](CN(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000801936946 630370554 /nfs/dbraw/zinc/37/05/54/630370554.db2.gz ZXBGOARBFQLDAM-KRWDZBQOSA-N 0 0 285.343 3.239 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000802650464 630402449 /nfs/dbraw/zinc/40/24/49/630402449.db2.gz ZDBICQXULUNQGP-HNNXBMFYSA-N 0 0 291.347 3.165 20 10 CGCDRN Cc1ccc(CNCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865723349 630455648 /nfs/dbraw/zinc/45/56/48/630455648.db2.gz JQDODBYAUXKZOW-UHFFFAOYSA-N 0 0 280.318 3.222 20 10 CGCDRN CSc1cnc(NCc2ccc(N3CC=CC3)cc2)nc1 ZINC000804497072 630532607 /nfs/dbraw/zinc/53/26/07/630532607.db2.gz UTTVYKZUQMTBRP-UHFFFAOYSA-N 0 0 298.415 3.187 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806133409 630546304 /nfs/dbraw/zinc/54/63/04/630546304.db2.gz MOZYOJUBWSNSCL-RISCZKNCSA-N 0 0 282.815 3.181 20 10 CGCDRN CC[C@H](CCO)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806141798 630547195 /nfs/dbraw/zinc/54/71/95/630547195.db2.gz VZXQDAWLYVRNNT-ZWNOBZJWSA-N 0 0 271.788 3.247 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CC=CCC1)c1cccc(Cl)c1[O-] ZINC000806162836 630551967 /nfs/dbraw/zinc/55/19/67/630551967.db2.gz HGCKKDHOCSTPMG-OAHLLOKOSA-N 0 0 294.826 3.348 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1[O-] ZINC000806169777 630553201 /nfs/dbraw/zinc/55/32/01/630553201.db2.gz QKKRWCKHFYNWMW-AXFHLTTASA-N 0 0 259.271 3.226 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(n1)CCC2=O ZINC000807976487 630609903 /nfs/dbraw/zinc/60/99/03/630609903.db2.gz MOROLGWLYSIUKI-UHFFFAOYSA-N 0 0 295.386 3.197 20 10 CGCDRN CCC(CC)N(CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000808493974 630651885 /nfs/dbraw/zinc/65/18/85/630651885.db2.gz RZKIOWFHSPRUIA-UHFFFAOYSA-N 0 0 291.439 3.473 20 10 CGCDRN COc1nn(C)cc1N[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808715689 630669818 /nfs/dbraw/zinc/66/98/18/630669818.db2.gz NHPRXSVMALHGSQ-VIFPVBQESA-N 0 0 295.770 3.269 20 10 CGCDRN C[C@H]1CN(C)c2ccccc2N(Cc2ccccc2O)C1 ZINC000809664319 630778432 /nfs/dbraw/zinc/77/84/32/630778432.db2.gz DBUNXAZLGLWMKT-AWEZNQCLSA-N 0 0 282.387 3.485 20 10 CGCDRN C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809701059 630785199 /nfs/dbraw/zinc/78/51/99/630785199.db2.gz AZTVAMDMDXPUNR-HQJQHLMTSA-N 0 0 275.776 3.026 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000809729087 630793265 /nfs/dbraw/zinc/79/32/65/630793265.db2.gz QINJPNTZXKFJMY-HNNXBMFYSA-N 0 0 272.323 3.263 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(F)CCCCC2)cc1F ZINC000810265635 630862785 /nfs/dbraw/zinc/86/27/85/630862785.db2.gz IAPQTIZNNFEJPS-UHFFFAOYSA-N 0 0 296.361 3.180 20 10 CGCDRN O=C(Cc1cccc(Cl)c1F)NCc1ccccc1O ZINC000810274958 630863514 /nfs/dbraw/zinc/86/35/14/630863514.db2.gz GZTWAYYZGHMVKJ-UHFFFAOYSA-N 0 0 293.725 3.044 20 10 CGCDRN O=C1NC(=S)S/C1=C\c1cscc1C(F)(F)F ZINC000811627372 631094244 /nfs/dbraw/zinc/09/42/44/631094244.db2.gz UGZLBPREMIVBNO-BHQIHCQQSA-N 0 0 295.332 3.256 20 10 CGCDRN CC(C)(C)C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000814298541 631568506 /nfs/dbraw/zinc/56/85/06/631568506.db2.gz WGUDQQHISAKUTI-UHFFFAOYSA-N 0 0 280.368 3.462 20 10 CGCDRN C[C@H]([NH2+]CCCF)c1cccc(C(F)(F)F)c1[O-] ZINC000815597284 631803476 /nfs/dbraw/zinc/80/34/76/631803476.db2.gz RLCQCARCVGNZSE-QMMMGPOBSA-N 0 0 265.250 3.421 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000815604178 631804232 /nfs/dbraw/zinc/80/42/32/631804232.db2.gz GVNFFJVFASWKNE-IUCAKERBSA-N 0 0 291.313 3.221 20 10 CGCDRN CC[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])OC ZINC000815628063 631808744 /nfs/dbraw/zinc/80/87/44/631808744.db2.gz QJWSQBVUZWCLFQ-ZJUUUORDSA-N 0 0 291.313 3.487 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCOC1 ZINC000816488363 631991019 /nfs/dbraw/zinc/99/10/19/631991019.db2.gz QZYDDYXWCQRNKR-JTQLQIEISA-N 0 0 287.762 3.043 20 10 CGCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514681 631999667 /nfs/dbraw/zinc/99/96/67/631999667.db2.gz FJGZLCLVDUSYRG-RKDXNWHRSA-N 0 0 257.736 3.415 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCC1CC1 ZINC000816552698 632001712 /nfs/dbraw/zinc/00/17/12/632001712.db2.gz SYZRHERHBYRHGZ-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548674 632007340 /nfs/dbraw/zinc/00/73/40/632007340.db2.gz OZMIMFPHCSHCGT-QMMMGPOBSA-N 0 0 297.761 3.077 20 10 CGCDRN CCN(CC)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548906 632009303 /nfs/dbraw/zinc/00/93/03/632009303.db2.gz XCOFKZCVFFBSCA-JTQLQIEISA-N 0 0 288.794 3.005 20 10 CGCDRN CCCC[N@H+](Cc1conc1C)Cc1ccccc1O ZINC000816601115 632021234 /nfs/dbraw/zinc/02/12/34/632021234.db2.gz RVFCZEMSNGAWJT-UHFFFAOYSA-N 0 0 274.364 3.491 20 10 CGCDRN Cc1cc(N)cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000817980131 632270352 /nfs/dbraw/zinc/27/03/52/632270352.db2.gz JBWQOBYKVZRLRV-JTQLQIEISA-N 0 0 292.329 3.412 20 10 CGCDRN CC[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(F)cc1[O-] ZINC000817982316 632273243 /nfs/dbraw/zinc/27/32/43/632273243.db2.gz RNSWVVCQFOZYNV-LSDHHAIUSA-N 0 0 280.387 3.090 20 10 CGCDRN O[C@H](CNc1ccccc1OCCF)CC1CCCC1 ZINC000819487782 632472079 /nfs/dbraw/zinc/47/20/79/632472079.db2.gz ICWGONLJFWZUOU-AWEZNQCLSA-N 0 0 281.371 3.388 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)[C@H](C)CC ZINC000819761664 632509358 /nfs/dbraw/zinc/50/93/58/632509358.db2.gz YPRDKLBTZXLGLN-VXGBXAGGSA-N 0 0 284.396 3.176 20 10 CGCDRN Cc1cc(C(=O)N2CCCCN2)c(C)n1-c1cccc(C)c1 ZINC000819761614 632509482 /nfs/dbraw/zinc/50/94/82/632509482.db2.gz WULWMRIZDWYPLN-UHFFFAOYSA-N 0 0 297.402 3.143 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)nsc2C)c(OC)c1 ZINC000821396465 632763954 /nfs/dbraw/zinc/76/39/54/632763954.db2.gz OJYNQSQRKIXKTE-UHFFFAOYSA-N 0 0 292.404 3.414 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)/C=C\[C@H]3CCCO3)cc12 ZINC000821435162 632773041 /nfs/dbraw/zinc/77/30/41/632773041.db2.gz VJHBMFFZIASSTA-IUCKJTJTSA-N 0 0 299.370 3.436 20 10 CGCDRN COc1ccc(N(C)Cc2cncn2C(C)C)cc1OC ZINC000822469642 632937980 /nfs/dbraw/zinc/93/79/80/632937980.db2.gz BSJXYHRYIXDTIM-UHFFFAOYSA-N 0 0 289.379 3.118 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2CC3(CC3)C2)cc1 ZINC000822608667 632983417 /nfs/dbraw/zinc/98/34/17/632983417.db2.gz WRPRXMJBTNOHSE-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN CC[C@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(Cl)c1[O-] ZINC000866442804 633133506 /nfs/dbraw/zinc/13/35/06/633133506.db2.gz TVRMPQHUVLAMQL-QWRGUYRKSA-N 0 0 293.741 3.102 20 10 CGCDRN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(F)F ZINC000824509014 633251177 /nfs/dbraw/zinc/25/11/77/633251177.db2.gz JILBCEATCZEJKW-LLVKDONJSA-N 0 0 260.303 3.025 20 10 CGCDRN Cc1cc(Br)cc(CN2CC3(CC3)C2)c1O ZINC000824533777 633255369 /nfs/dbraw/zinc/25/53/69/633255369.db2.gz NOMJSBDZCGPXGR-UHFFFAOYSA-N 0 0 282.181 3.059 20 10 CGCDRN Oc1ccc(-c2ccccc2)cc1CNC(CF)CF ZINC000824554364 633258993 /nfs/dbraw/zinc/25/89/93/633258993.db2.gz FLDCBFBFVZZYPP-UHFFFAOYSA-N 0 0 277.314 3.456 20 10 CGCDRN COC[C@]1(C)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824583820 633262023 /nfs/dbraw/zinc/26/20/23/633262023.db2.gz RKKCDTCFCKOKFA-CQSZACIVSA-N 0 0 287.762 3.043 20 10 CGCDRN COc1ccc(N(C)CCOC(C)(C)C)cc1F ZINC000121832407 633267388 /nfs/dbraw/zinc/26/73/88/633267388.db2.gz CALXVWOGXNFTEU-UHFFFAOYSA-N 0 0 255.333 3.086 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824654415 633269847 /nfs/dbraw/zinc/26/98/47/633269847.db2.gz NWDZTCLBTHDAOE-GFCCVEGCSA-N 0 0 255.720 3.169 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000868115452 633296964 /nfs/dbraw/zinc/29/69/64/633296964.db2.gz YSCZOVGIWJFEGK-RWMBFGLXSA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@@H](NC(=O)NCCSC(C)(C)C)c1ccccc1O ZINC000868201354 633304822 /nfs/dbraw/zinc/30/48/22/633304822.db2.gz VZXRKMSOHSIHJG-LLVKDONJSA-N 0 0 296.436 3.284 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC12CC2)c1ccccc1O ZINC000868848603 633371253 /nfs/dbraw/zinc/37/12/53/633371253.db2.gz XWNIGHMBJZCXLE-BXUZGUMPSA-N 0 0 274.364 3.085 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1CC(F)(F)C1 ZINC000825874292 633385403 /nfs/dbraw/zinc/38/54/03/633385403.db2.gz YKGPJMUJOXPOAL-UHFFFAOYSA-N 0 0 296.361 3.113 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000842776678 633410651 /nfs/dbraw/zinc/41/06/51/633410651.db2.gz NPLSQXCQRQOPEW-OPRDCNLKSA-N 0 0 269.747 3.463 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2cc(C)ccc2O)s1 ZINC000869411295 633440293 /nfs/dbraw/zinc/44/02/93/633440293.db2.gz UKFSFRDOJGRSIH-UHFFFAOYSA-N 0 0 275.373 3.309 20 10 CGCDRN C/C(=C\C(=O)N(CC1CC1)c1ccccc1)c1cnccn1 ZINC000826947562 633445601 /nfs/dbraw/zinc/44/56/01/633445601.db2.gz VCTLQRFYTCIANX-SDNWHVSQSA-N 0 0 293.370 3.323 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)c2ccccc2C)c1 ZINC000827167977 633466694 /nfs/dbraw/zinc/46/66/94/633466694.db2.gz VNWWEGUVUUVVSP-AWEZNQCLSA-N 0 0 283.371 3.429 20 10 CGCDRN CC(C)C1(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845028712 636000091 /nfs/dbraw/zinc/00/00/91/636000091.db2.gz ALMWMMCPXCTILJ-UHFFFAOYSA-N 0 0 296.798 3.281 20 10 CGCDRN Cc1cccc(C)c1OCC(=O)N[C@H](C)c1ccccc1O ZINC000827923440 633534412 /nfs/dbraw/zinc/53/44/12/633534412.db2.gz QBHUNBVZWDHDCU-CQSZACIVSA-N 0 0 299.370 3.265 20 10 CGCDRN CC[C@H](Nc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827930839 633535960 /nfs/dbraw/zinc/53/59/60/633535960.db2.gz RZWANPLYKPQRIK-CJNGLKHVSA-N 0 0 298.386 3.460 20 10 CGCDRN C[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1O ZINC000827930641 633536101 /nfs/dbraw/zinc/53/61/01/633536101.db2.gz NYCRHSCYJFQZLN-LLVKDONJSA-N 0 0 271.360 3.316 20 10 CGCDRN C[C@@H](NC(=O)/C=C1/CC[C@@H](C)C1)c1ccccc1O ZINC000827937113 633536427 /nfs/dbraw/zinc/53/64/27/633536427.db2.gz LEZJVIOVMKVUBK-ACOKQAKJSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1CC[C@H](C)C1)c1ccccc1O ZINC000827937027 633536836 /nfs/dbraw/zinc/53/68/36/633536836.db2.gz INHGXKPETOKAGL-YNEHKIRRSA-N 0 0 261.365 3.396 20 10 CGCDRN CS[C@H](C)CCC(=O)N[C@H](C)c1ccccc1O ZINC000827940392 633537548 /nfs/dbraw/zinc/53/75/48/633537548.db2.gz CWKGAYREWZPAJU-GHMZBOCLSA-N 0 0 267.394 3.101 20 10 CGCDRN C[C@@H](NC(=O)c1ccnc(C2CC2)c1)c1ccccc1O ZINC000827941324 633538245 /nfs/dbraw/zinc/53/82/45/633538245.db2.gz QJOQCQKTPMKNMJ-LLVKDONJSA-N 0 0 282.343 3.156 20 10 CGCDRN C[C@@H](NC(=O)CCCc1nccs1)c1ccccc1O ZINC000827946725 633538871 /nfs/dbraw/zinc/53/88/71/633538871.db2.gz QOYFQRAZYMOHRQ-LLVKDONJSA-N 0 0 290.388 3.049 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827963870 633541545 /nfs/dbraw/zinc/54/15/45/633541545.db2.gz CUGKLSRIRAFXHC-OUCADQQQSA-N 0 0 261.365 3.252 20 10 CGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827968898 633542112 /nfs/dbraw/zinc/54/21/12/633542112.db2.gz CJEDFMAGFFYLMG-GHJWDPDVSA-N 0 0 261.365 3.252 20 10 CGCDRN C[C@H](NC(=O)c1cccnc1C1CC1)c1ccccc1O ZINC000827968834 633542131 /nfs/dbraw/zinc/54/21/31/633542131.db2.gz AICWGGYCTRFYTB-NSHDSACASA-N 0 0 282.343 3.156 20 10 CGCDRN CC(C)C[C@@H](C)OCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827972892 633542718 /nfs/dbraw/zinc/54/27/18/633542718.db2.gz CEAIORBDEHTVQP-KGLIPLIRSA-N 0 0 293.407 3.411 20 10 CGCDRN C[C@H](NC(=O)/C=C1\CC[C@H](C)C1)c1ccccc1O ZINC000827973213 633543027 /nfs/dbraw/zinc/54/30/27/633543027.db2.gz LEZJVIOVMKVUBK-NYKRYYGFSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@H](NC(=O)c1cccc2c1CCC2)c1ccccc1O ZINC000827978344 633543972 /nfs/dbraw/zinc/54/39/72/633543972.db2.gz QAYATFYRIADWOV-LBPRGKRZSA-N 0 0 281.355 3.372 20 10 CGCDRN C[C@H](NC(=O)CO[C@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000827978637 633544343 /nfs/dbraw/zinc/54/43/43/633544343.db2.gz YUPQGWSBTRZRMS-RDBSUJKOSA-N 0 0 291.391 3.165 20 10 CGCDRN CCN(CCC[C@@H]1CCOC1)c1ccc(OC)c(OC)c1 ZINC000828031416 633551122 /nfs/dbraw/zinc/55/11/22/633551122.db2.gz SKNBGHYHNIEEJR-CQSZACIVSA-N 0 0 293.407 3.347 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(N)ccc1C ZINC000828144324 633571982 /nfs/dbraw/zinc/57/19/82/633571982.db2.gz BEVXYLRXFZGZNW-UHFFFAOYSA-N 0 0 298.386 3.335 20 10 CGCDRN CC[C@H](Nc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871201689 633723830 /nfs/dbraw/zinc/72/38/30/633723830.db2.gz YUCZNFODOFWVHB-INIZCTEOSA-N 0 0 296.370 3.125 20 10 CGCDRN C[C@H]1CC[C@@H](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203495 633724419 /nfs/dbraw/zinc/72/44/19/633724419.db2.gz MPYIMCDLBFUULP-NWDGAFQWSA-N 0 0 259.349 3.061 20 10 CGCDRN CC[C@H](C)n1nc(C(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000871204594 633724590 /nfs/dbraw/zinc/72/45/90/633724590.db2.gz MDDWUPOVMQGCDT-NSHDSACASA-N 0 0 299.374 3.024 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205725 633725487 /nfs/dbraw/zinc/72/54/87/633725487.db2.gz XLCUGRJUQSRUEO-JSGCOSHPSA-N 0 0 273.376 3.451 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204924 633725686 /nfs/dbraw/zinc/72/56/86/633725686.db2.gz SNCULVUHYGJFHX-VXGBXAGGSA-N 0 0 259.349 3.061 20 10 CGCDRN Cc1cc(C)cc(CC(=O)N(C)Cc2ccccc2O)c1 ZINC000830140747 633831587 /nfs/dbraw/zinc/83/15/87/633831587.db2.gz IGEYEYUKZSGTDL-UHFFFAOYSA-N 0 0 283.371 3.210 20 10 CGCDRN CCCNC(=O)CCCNc1ccccc1NC(C)C ZINC000871845677 633890529 /nfs/dbraw/zinc/89/05/29/633890529.db2.gz HFJUJROJUMKMCJ-UHFFFAOYSA-N 0 0 277.412 3.225 20 10 CGCDRN CC(C)Nc1ccccc1N[C@H]1CCN(C(C)(C)C)C1=O ZINC000871846362 633892581 /nfs/dbraw/zinc/89/25/81/633892581.db2.gz YFWAXUKBJUTFLV-HNNXBMFYSA-N 0 0 289.423 3.318 20 10 CGCDRN COc1ccc(N(Cc2cc(C)n(C)n2)CC2CC2)cc1 ZINC000831588272 633979853 /nfs/dbraw/zinc/97/98/53/633979853.db2.gz VRZAOSKDVXLHKU-UHFFFAOYSA-N 0 0 285.391 3.154 20 10 CGCDRN CCn1ncc(N[C@H](C)c2ccc(C)cc2O)c1C ZINC000872136780 634060177 /nfs/dbraw/zinc/06/01/77/634060177.db2.gz HOJALPQMMCNKMF-LLVKDONJSA-N 0 0 259.353 3.399 20 10 CGCDRN O=C(N[C@@H]1CCCc2c(F)cccc21)C1=CC(=O)CS1 ZINC000833051511 634107440 /nfs/dbraw/zinc/10/74/40/634107440.db2.gz YDJOROBAOUSUHM-CYBMUJFWSA-N 0 0 291.347 3.400 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000101590142 634202630 /nfs/dbraw/zinc/20/26/30/634202630.db2.gz GPCVFKPAZMPJHX-UHFFFAOYSA-N 0 0 290.294 3.038 20 10 CGCDRN CC(C)OC(=O)[C@@H](N[C@H](C)c1ccccc1O)C(C)C ZINC000834884652 634266479 /nfs/dbraw/zinc/26/64/79/634266479.db2.gz ALXBHDRAMWYVPM-DOMZBBRYSA-N 0 0 279.380 3.019 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(Cl)ccc1O ZINC000834903532 634280083 /nfs/dbraw/zinc/28/00/83/634280083.db2.gz IRARDJZHXUPFLY-JTQLQIEISA-N 0 0 285.815 3.493 20 10 CGCDRN CCCn1cc(NC/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835034032 634327002 /nfs/dbraw/zinc/32/70/02/634327002.db2.gz ZMNQUZAHPAHYSU-WAYWQWQTSA-N 0 0 284.407 3.484 20 10 CGCDRN CCc1nocc1CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055742 634339289 /nfs/dbraw/zinc/33/92/89/634339289.db2.gz OGLBYTVKDPIEPP-SREVYHEPSA-N 0 0 299.418 3.448 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCCc3ccc(C)nc32)c1 ZINC000876488608 634845368 /nfs/dbraw/zinc/84/53/68/634845368.db2.gz FZJLJFGJOZIAOG-SOFGYWHQSA-N 0 0 293.370 3.086 20 10 CGCDRN CN(Cc1nc(Cl)cs1)Cc1ccccc1O ZINC000876616072 634868486 /nfs/dbraw/zinc/86/84/86/634868486.db2.gz RNXPHMXNYFKALX-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN C[C@H]1CCC[C@H](CC(=O)NCc2ccc(N)cc2)C1 ZINC000837302725 634881620 /nfs/dbraw/zinc/88/16/20/634881620.db2.gz DFHCFAZKSRTLTO-JSGCOSHPSA-N 0 0 260.381 3.101 20 10 CGCDRN C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(N)cc1 ZINC000837303015 634881749 /nfs/dbraw/zinc/88/17/49/634881749.db2.gz QKGFISYMMXPZOQ-JSGCOSHPSA-N 0 0 260.381 3.101 20 10 CGCDRN CC1(C)CCCC[C@H]1CC(=O)NCc1ccc(N)cc1 ZINC000837303327 634882604 /nfs/dbraw/zinc/88/26/04/634882604.db2.gz HGBGESOJPMAHLN-AWEZNQCLSA-N 0 0 274.408 3.492 20 10 CGCDRN C[C@H](NC(=O)NCCCSc1nccs1)C1CCC1 ZINC000126252079 634936565 /nfs/dbraw/zinc/93/65/65/634936565.db2.gz DHHAULWTTHLGQW-JTQLQIEISA-N 0 0 299.465 3.113 20 10 CGCDRN CCCCCC[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126305376 634956811 /nfs/dbraw/zinc/95/68/11/634956811.db2.gz HFEJRLIRAJBPAV-LLVKDONJSA-N 0 0 265.353 3.187 20 10 CGCDRN CN(C(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccc(N)cc1 ZINC000877076638 634974502 /nfs/dbraw/zinc/97/45/02/634974502.db2.gz SFYSESGUUJZQCE-CVEARBPZSA-N 0 0 272.392 3.448 20 10 CGCDRN Cc1nc(CC(C)C)oc1C(=O)N(C)c1ccc(N)cc1 ZINC000877076718 634974932 /nfs/dbraw/zinc/97/49/32/634974932.db2.gz UGFIWCARVTZMFC-UHFFFAOYSA-N 0 0 287.363 3.040 20 10 CGCDRN CCC(=CC(=O)NCc1ccc2c(c1)CCCN2C)CC ZINC000126323225 634980632 /nfs/dbraw/zinc/98/06/32/634980632.db2.gz KBLFDROGKWVOOD-UHFFFAOYSA-N 0 0 286.419 3.432 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(N2CCCC2)nc1 ZINC000877116245 634989591 /nfs/dbraw/zinc/98/95/91/634989591.db2.gz SZYKHUDSXWNZLJ-UHFFFAOYSA-N 0 0 283.375 3.308 20 10 CGCDRN C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(O)c1O ZINC000126396804 635008906 /nfs/dbraw/zinc/00/89/06/635008906.db2.gz DVEMKJNVAOMZNB-JTQLQIEISA-N 0 0 289.306 3.070 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C=C1CCC1 ZINC000840557901 635022614 /nfs/dbraw/zinc/02/26/14/635022614.db2.gz URCGIDMROHIWHN-CQSZACIVSA-N 0 0 286.419 3.219 20 10 CGCDRN Cc1ccc(C(C)(C)[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877350744 635030130 /nfs/dbraw/zinc/03/01/30/635030130.db2.gz VNKVLHSPJCRQHB-UHFFFAOYSA-N 0 0 292.329 3.399 20 10 CGCDRN CC[C@H](N[C@H](C)c1csnn1)c1ccc(N(C)C)cc1 ZINC000840885337 635074230 /nfs/dbraw/zinc/07/42/30/635074230.db2.gz CCSKNPBBPDCZJY-RISCZKNCSA-N 0 0 290.436 3.406 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CCCc2occc2C1 ZINC000877538149 635078308 /nfs/dbraw/zinc/07/83/08/635078308.db2.gz WUJSAIVNKYOYGY-UHFFFAOYSA-N 0 0 279.286 3.212 20 10 CGCDRN CCn1ccc(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000840956248 635092980 /nfs/dbraw/zinc/09/29/80/635092980.db2.gz MWBAKEAXTNMNNY-UHFFFAOYSA-N 0 0 298.434 3.183 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)ccc(F)c1F ZINC000877620796 635116723 /nfs/dbraw/zinc/11/67/23/635116723.db2.gz JGFFZXBNXZKKBR-LBPRGKRZSA-N 0 0 297.345 3.252 20 10 CGCDRN CSC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000877663268 635137664 /nfs/dbraw/zinc/13/76/64/635137664.db2.gz NCOXITNFLWUTBO-UHFFFAOYSA-N 0 0 271.813 3.373 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000877680828 635142538 /nfs/dbraw/zinc/14/25/38/635142538.db2.gz ANSAXKYNGLVWEM-GIPNMCIBSA-N 0 0 269.772 3.010 20 10 CGCDRN CCC(CC)[C@@H](CCNC(=O)Nc1ccc(N)cc1)OC ZINC000841298572 635149987 /nfs/dbraw/zinc/14/99/87/635149987.db2.gz QVDBUTBMDDKJQE-OAHLLOKOSA-N 0 0 293.411 3.232 20 10 CGCDRN CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCc2ccccc2C1 ZINC000841300862 635150051 /nfs/dbraw/zinc/15/00/51/635150051.db2.gz XOIWDTLYOYWIOR-KRWDZBQOSA-N 0 0 295.386 3.290 20 10 CGCDRN Cc1ccc(O)c(CN2Cc3ccccc3NC(=O)[C@@H]2C)c1 ZINC000877706012 635157141 /nfs/dbraw/zinc/15/71/41/635157141.db2.gz DHDLEDZOQMJZSX-ZDUSSCGKSA-N 0 0 296.370 3.043 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OCCCF ZINC000841478878 635182740 /nfs/dbraw/zinc/18/27/40/635182740.db2.gz HPSNXCBPPONPGF-UHFFFAOYSA-N 0 0 296.386 3.459 20 10 CGCDRN CSCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841764623 635234659 /nfs/dbraw/zinc/23/46/59/635234659.db2.gz QUQFXKRZDRHTBT-SECBINFHSA-N 0 0 259.802 3.449 20 10 CGCDRN Cc1ccc2c(c1)N[C@@H](c1cc(Cl)ccc1O)NC2=O ZINC000877864246 635245193 /nfs/dbraw/zinc/24/51/93/635245193.db2.gz OFXVEQGIJDAMDV-CQSZACIVSA-N 0 0 288.734 3.208 20 10 CGCDRN CC(C)[C@@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841957362 635252383 /nfs/dbraw/zinc/25/23/83/635252383.db2.gz IQPVXCPLOXIIRO-CYBMUJFWSA-N 0 0 289.423 3.030 20 10 CGCDRN CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCC(C)(C)C1 ZINC000841960151 635252659 /nfs/dbraw/zinc/25/26/59/635252659.db2.gz WEGWZMYRHBIHDN-HNNXBMFYSA-N 0 0 289.423 3.031 20 10 CGCDRN COCc1ccc(COc2ccc(N(C)C)cc2)cc1 ZINC000842043473 635264426 /nfs/dbraw/zinc/26/44/26/635264426.db2.gz KXUAGDFGVYHYKE-UHFFFAOYSA-N 0 0 271.360 3.478 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842930290 635514270 /nfs/dbraw/zinc/51/42/70/635514270.db2.gz SCZPKTYLMVIUHK-IRCOFANPSA-N 0 0 276.336 3.140 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842930288 635515077 /nfs/dbraw/zinc/51/50/77/635515077.db2.gz SCZPKTYLMVIUHK-FIQHERPVSA-N 0 0 276.336 3.140 20 10 CGCDRN Cc1nc(C)c(NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000878890316 635650787 /nfs/dbraw/zinc/65/07/87/635650787.db2.gz AINDBHSJAXZJDS-QMMMGPOBSA-N 0 0 291.376 3.348 20 10 CGCDRN CC[N@H+](CCSC)Cc1cc(Cl)cc(F)c1[O-] ZINC000843437765 635676496 /nfs/dbraw/zinc/67/64/96/635676496.db2.gz WKMZFWOEKDWMOS-UHFFFAOYSA-N 0 0 277.792 3.370 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(F)F)CC1 ZINC000843776331 635780297 /nfs/dbraw/zinc/78/02/97/635780297.db2.gz MIDIGXVRVKEYFW-UHFFFAOYSA-N 0 0 296.361 3.146 20 10 CGCDRN CC1=C(C)C[C@H](C(=O)NCc2ccccc2O)CC1 ZINC000843832326 635786529 /nfs/dbraw/zinc/78/65/29/635786529.db2.gz LQIYMZRBKHFDAE-CYBMUJFWSA-N 0 0 259.349 3.145 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CC2(CCC2)C1 ZINC000843830120 635786810 /nfs/dbraw/zinc/78/68/10/635786810.db2.gz CFSNBPHSJCIUHO-UHFFFAOYSA-N 0 0 299.414 3.468 20 10 CGCDRN O=C(NC[C@H]1CC2CCC1CC2)C1=CC(=O)CS1 ZINC000844147456 635827446 /nfs/dbraw/zinc/82/74/46/635827446.db2.gz QHHXUSBICICXBB-VQXHTEKXSA-N 0 0 265.378 3.010 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000844353429 635878228 /nfs/dbraw/zinc/87/82/28/635878228.db2.gz WSLXMDXNYOTTJL-UHFFFAOYSA-N 0 0 298.390 3.135 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844907129 635981359 /nfs/dbraw/zinc/98/13/59/635981359.db2.gz HOJMOLRNDBNQAY-ZDUSSCGKSA-N 0 0 288.778 3.172 20 10 CGCDRN CC(C)C[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845068616 636004509 /nfs/dbraw/zinc/00/45/09/636004509.db2.gz QJPCVFYDIXYLDW-JTQLQIEISA-N 0 0 284.787 3.279 20 10 CGCDRN CCn1nc(C)c(CN(C)c2ccc(OC)cc2)c1C ZINC000845998496 636127784 /nfs/dbraw/zinc/12/77/84/636127784.db2.gz NLTXRWDCASOKLJ-UHFFFAOYSA-N 0 0 273.380 3.165 20 10 CGCDRN CC[C@H]1C[C@@H](CN(C)c2ccc(OC)cc2)CCO1 ZINC000845998793 636128421 /nfs/dbraw/zinc/12/84/21/636128421.db2.gz PWVVMSGIAOFJAD-ZFWWWQNUSA-N 0 0 263.381 3.337 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846109566 636145295 /nfs/dbraw/zinc/14/52/95/636145295.db2.gz DPVMTTDXIWFHAV-DTORHVGOSA-N 0 0 294.128 3.396 20 10 CGCDRN O=C(NCC[C@@H]1CCCC1(F)F)C1=CC(=O)CS1 ZINC000881582822 636150909 /nfs/dbraw/zinc/15/09/09/636150909.db2.gz WMORHDHPUDYARL-QMMMGPOBSA-N 0 0 275.320 3.009 20 10 CGCDRN CC[C@H](N[C@H](C)c1cccc(OC)c1O)C(F)(F)F ZINC000846167358 636152097 /nfs/dbraw/zinc/15/20/97/636152097.db2.gz XIJOOAQXGWKFCB-KCJUWKMLSA-N 0 0 277.286 3.392 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000846208622 636158650 /nfs/dbraw/zinc/15/86/50/636158650.db2.gz JXTDEDBAIDYCHQ-SFYZADRCSA-N 0 0 296.169 3.070 20 10 CGCDRN Nc1ccc(CCNC(=O)/C=C/C2CCCCCC2)cc1 ZINC000846666683 636215568 /nfs/dbraw/zinc/21/55/68/636215568.db2.gz VYFUEIXVOFAZMZ-FMIVXFBMSA-N 0 0 286.419 3.454 20 10 CGCDRN CC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)on1 ZINC000846873703 636266644 /nfs/dbraw/zinc/26/66/44/636266644.db2.gz FKWPESOXQJAZAP-UHFFFAOYSA-N 0 0 288.347 3.301 20 10 CGCDRN C/C(=C\c1ccco1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000846876703 636267647 /nfs/dbraw/zinc/26/76/47/636267647.db2.gz XNDHZANSYKAHFP-SDNWHVSQSA-N 0 0 298.386 3.374 20 10 CGCDRN COc1ccc(CNC(=O)c2cccc(C(C)C)c2)c(O)c1 ZINC000846950275 636292676 /nfs/dbraw/zinc/29/26/76/636292676.db2.gz MLLNPFYVLZEYEX-UHFFFAOYSA-N 0 0 299.370 3.454 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccsc1 ZINC000130522880 636470817 /nfs/dbraw/zinc/47/08/17/636470817.db2.gz NVEWBDSINTXTDR-NSHDSACASA-N 0 0 275.373 3.216 20 10 CGCDRN COc1ccc2c(c1)CN(Cc1cc(OC)c(C)cc1O)C2 ZINC000848501058 636582359 /nfs/dbraw/zinc/58/23/59/636582359.db2.gz OFSRBKIVSVLMTM-UHFFFAOYSA-N 0 0 299.370 3.234 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1[O-] ZINC000848569245 636611861 /nfs/dbraw/zinc/61/18/61/636611861.db2.gz YBFKZICRLXPMPG-VBNZEHGJSA-N 0 0 292.398 3.199 20 10 CGCDRN CCc1cccc(CNc2cccc3c2OCC[C@H]3O)c1O ZINC000848903282 636682981 /nfs/dbraw/zinc/68/29/81/636682981.db2.gz PEGMGLBJTRIYQE-MRXNPFEDSA-N 0 0 299.370 3.383 20 10 CGCDRN CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC=CC1 ZINC000848921485 636692361 /nfs/dbraw/zinc/69/23/61/636692361.db2.gz BTIQWKTZBWSLNC-UHFFFAOYSA-N 0 0 255.720 3.383 20 10 CGCDRN Cc1ccc(O)c(CN2Cc3cc(F)c(F)cc3C2)c1 ZINC000848926477 636699242 /nfs/dbraw/zinc/69/92/42/636699242.db2.gz YLBFHKHLLUEPFR-UHFFFAOYSA-N 0 0 275.298 3.495 20 10 CGCDRN CC[C@@H](C)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132514889 636814678 /nfs/dbraw/zinc/81/46/78/636814678.db2.gz MWOHHPUBPAPILF-SECBINFHSA-N 0 0 272.186 3.385 20 10 CGCDRN CCCN(Cc1cc(OC)ccc1O)CC(F)(F)F ZINC000132534081 636817223 /nfs/dbraw/zinc/81/72/23/636817223.db2.gz SSVOXVWDSTURDK-UHFFFAOYSA-N 0 0 277.286 3.175 20 10 CGCDRN COc1cccc(CN(C)c2ccc(C)cc2)c1O ZINC000132945312 636854873 /nfs/dbraw/zinc/85/48/73/636854873.db2.gz UMQRCTNMRUJCEF-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C=CCC1 ZINC000883835533 636858731 /nfs/dbraw/zinc/85/87/31/636858731.db2.gz LGWICEKOZWYZRA-CQSZACIVSA-N 0 0 288.391 3.280 20 10 CGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCCc1ccc(N)cc1 ZINC000884028656 636917876 /nfs/dbraw/zinc/91/78/76/636917876.db2.gz NMGQNLIWCUNOSY-WMLDXEAASA-N 0 0 274.408 3.144 20 10 CGCDRN Oc1ccccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850113893 636961120 /nfs/dbraw/zinc/96/11/20/636961120.db2.gz ZFGOQZGZXFJEDX-UHFFFAOYSA-N 0 0 287.334 3.362 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000850482624 637085710 /nfs/dbraw/zinc/08/57/10/637085710.db2.gz QFKOEFGGSNHSLN-DGCLKSJQSA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850529060 637107878 /nfs/dbraw/zinc/10/78/78/637107878.db2.gz NCCVCVHSCJVKRB-HTQZYQBOSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Cl)cc1[O-] ZINC000850546583 637116696 /nfs/dbraw/zinc/11/66/96/637116696.db2.gz MWRNYQKVERNWRZ-PWSUYJOCSA-N 0 0 283.799 3.105 20 10 CGCDRN Cc1cccc(CNc2cccc(CCCO)c2)c1O ZINC000136265496 637302351 /nfs/dbraw/zinc/30/23/51/637302351.db2.gz VEHOCDZCRWFOBZ-UHFFFAOYSA-N 0 0 271.360 3.238 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC[C@H](C3CC3)O2)cc1OC ZINC000885965299 637335265 /nfs/dbraw/zinc/33/52/65/637335265.db2.gz LMBYURZGYHINQN-LSDHHAIUSA-N 0 0 291.391 3.098 20 10 CGCDRN C[C@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000136402167 637335421 /nfs/dbraw/zinc/33/54/21/637335421.db2.gz OTXWCNJULPMWEW-YUMQZZPRSA-N 0 0 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ZINC001203627384 812411369 /nfs/dbraw/zinc/41/13/69/812411369.db2.gz BEHSLUUZMWLRKS-CQSZACIVSA-N 0 0 298.386 3.175 20 10 CGCDRN CN(Cc1ccc(O)c(O)c1)Cc1cccc(F)c1F ZINC001203880028 812478344 /nfs/dbraw/zinc/47/83/44/812478344.db2.gz IQEUMVZBSVHBMX-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN Oc1ccc(CN2CC[C@@H]2c2ccccc2)cc1O ZINC001203880806 812479784 /nfs/dbraw/zinc/47/97/84/812479784.db2.gz ZZSSHBPGZURTLK-CQSZACIVSA-N 0 0 255.317 3.045 20 10 CGCDRN CN(C)c1ccc(CN2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001203931493 812494746 /nfs/dbraw/zinc/49/47/46/812494746.db2.gz RVOUWLVFKARUBD-HUUCEWRRSA-N 0 0 268.351 3.025 20 10 CGCDRN COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001203957699 812502400 /nfs/dbraw/zinc/50/24/00/812502400.db2.gz QPFQQRXMDWLDDE-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN Oc1cccc2c1CN(Cc1c(F)cccc1F)CC2 ZINC001204205834 812573263 /nfs/dbraw/zinc/57/32/63/812573263.db2.gz IRTKFKKEEBXKPT-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCC1=O 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CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC[C@H]1CCCS1 ZINC001462480119 937644274 /nfs/dbraw/zinc/64/42/74/937644274.db2.gz OAEWUUWROMCVGY-SNVBAGLBSA-N 0 0 273.348 3.046 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001308829366 933185812 /nfs/dbraw/zinc/18/58/12/933185812.db2.gz IEFWBAQNDGYSLM-QWHCGFSZSA-N 0 0 251.757 3.324 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001308920677 933204652 /nfs/dbraw/zinc/20/46/52/933204652.db2.gz ZEHPXCROCBIRKZ-NURSFMCSSA-N 0 0 267.319 3.339 20 10 CGCDRN COC(=O)c1cc(C)cc(NCc2cc(F)ccc2O)c1 ZINC001308958660 933212388 /nfs/dbraw/zinc/21/23/88/933212388.db2.gz KAMDOYVERXQAED-UHFFFAOYSA-N 0 0 289.306 3.238 20 10 CGCDRN Cc1cscc1NC(=O)NCc1c(O)cccc1F ZINC001310459725 933256645 /nfs/dbraw/zinc/25/66/45/933256645.db2.gz FZZYSBCDEYNYHO-UHFFFAOYSA-N 0 0 280.324 3.223 20 10 CGCDRN CCCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001463712305 937679898 /nfs/dbraw/zinc/67/98/98/937679898.db2.gz NBMSUVDRRTYWGW-UHFFFAOYSA-N 0 0 298.386 3.355 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O=C(CC[C@@H]1CCCO1)NCc1c(O)ccc2ccccc21 ZINC001558554638 938216208 /nfs/dbraw/zinc/21/62/08/938216208.db2.gz TWEGIRTWALTWFZ-AWEZNQCLSA-N 0 0 299.370 3.121 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2CC[C@@H]1C[C@H]1C1CC1 ZINC001559714281 938233431 /nfs/dbraw/zinc/23/34/31/938233431.db2.gz PPHGYNYFUZJIIO-ZBFHGGJFSA-N 0 0 286.419 3.388 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001560760638 938274443 /nfs/dbraw/zinc/27/44/43/938274443.db2.gz KZESJZHNXPAXOY-UHFFFAOYSA-N 0 0 299.267 3.281 20 10 CGCDRN Cn1cc(NCc2cccc(F)c2O)c(-c2ccco2)n1 ZINC001560936739 938285019 /nfs/dbraw/zinc/28/50/19/938285019.db2.gz IADLUKOGVJLNEU-UHFFFAOYSA-N 0 0 287.294 3.137 20 10 CGCDRN COc1cc(C)cc(CNc2cncc(Cl)c2)c1O ZINC001561008861 938289230 /nfs/dbraw/zinc/28/92/30/938289230.db2.gz KYSYIEAGCGRSGS-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN CCC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC001561685374 938295872 /nfs/dbraw/zinc/29/58/72/938295872.db2.gz LZWQXBCPYDMRRI-UHFFFAOYSA-N 0 0 257.333 3.373 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1 ZINC001564112656 938307616 /nfs/dbraw/zinc/30/76/16/938307616.db2.gz QSBIBFLOCXBDIG-CHWSQXEVSA-N 0 0 290.407 3.325 20 10 CGCDRN C[C@@H]([NH2+]CCCCC(=O)[O-])c1cc2c(cc1O)CCCC2 ZINC001603248645 972415654 /nfs/dbraw/zinc/41/56/54/972415654.db2.gz LJIHJBVSZIEBHU-GFCCVEGCSA-N 0 0 291.391 3.177 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c(O)c1O ZINC001570269911 961946418 /nfs/dbraw/zinc/94/64/18/961946418.db2.gz DYJQSQWREAGZOT-CHWSQXEVSA-N 0 0 291.391 3.351 20 10 CGCDRN CC1(C)Cc2cc(C(=O)Nc3ccc(N)cc3)ccc2O1 ZINC001576488046 962465353 /nfs/dbraw/zinc/46/53/53/962465353.db2.gz OUUIEMACRKLOHV-UHFFFAOYSA-N 0 0 282.343 3.235 20 10 CGCDRN CN(C(=O)c1ccc2ccn(C)c2c1)c1ccc(N)cc1 ZINC001578390987 962581363 /nfs/dbraw/zinc/58/13/63/962581363.db2.gz WJIOSUIZFXDHMW-UHFFFAOYSA-N 0 0 279.343 3.037 20 10 CGCDRN Nc1ccc(CNC(=O)NCc2ccc3occc3c2)cc1 ZINC001580445668 962722287 /nfs/dbraw/zinc/72/22/87/962722287.db2.gz OMOFGFPEJUXIFV-UHFFFAOYSA-N 0 0 295.342 3.014 20 10 CGCDRN Nc1ccc(CNc2ccc(Br)nc2)cc1 ZINC001580447082 962724592 /nfs/dbraw/zinc/72/45/92/962724592.db2.gz PUVPVTFIIVBMJF-UHFFFAOYSA-N 0 0 278.153 3.038 20 10 CGCDRN Nc1ccc(OC(=O)c2cc(F)c3ncccc3c2)cc1 ZINC001580449540 962726094 /nfs/dbraw/zinc/72/60/94/962726094.db2.gz NCLDNVASYMPIRH-UHFFFAOYSA-N 0 0 282.274 3.175 20 10 CGCDRN Cc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001587121275 963169253 /nfs/dbraw/zinc/16/92/53/963169253.db2.gz YOBSAJKSOPUWOP-UHFFFAOYSA-N 0 0 282.303 3.410 20 10 CGCDRN C[C@@H](NC(=O)c1ccnc(Cl)c1F)c1ccccc1O ZINC001587446966 963194552 /nfs/dbraw/zinc/19/45/52/963194552.db2.gz DRWIPMLTJJMBJP-MRVPVSSYSA-N 0 0 294.713 3.071 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001587444283 963195369 /nfs/dbraw/zinc/19/53/69/963195369.db2.gz BADUSPRDIDOBCH-GFCCVEGCSA-N 0 0 255.317 3.192 20 10 CGCDRN O=C(Nc1cncc(C(F)F)c1)C1=CC(=O)CS1 ZINC001587825949 963223302 /nfs/dbraw/zinc/22/33/02/963223302.db2.gz BUACRQPVQSMAMM-UHFFFAOYSA-N 0 0 270.260 3.039 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593219799 994304135 /nfs/dbraw/zinc/30/41/35/994304135.db2.gz OUMUTPUJZHTFLK-JQWIXIFHSA-N 0 0 277.364 3.320 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593224836 994343524 /nfs/dbraw/zinc/34/35/24/994343524.db2.gz RLZTZGMNKUVDJJ-WCQGTBRESA-N 0 0 281.327 3.022 20 10 CGCDRN C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593246439 994451381 /nfs/dbraw/zinc/45/13/81/994451381.db2.gz LJJYCZFGBFMVOU-SNVBAGLBSA-N 0 0 289.375 3.177 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CSC ZINC000066830348 345308267 /nfs/dbraw/zinc/30/82/67/345308267.db2.gz BBUJVMITJPESHV-CYBMUJFWSA-N 0 0 294.464 3.100 20 10 CGCDRN Oc1ccc(-c2csc([C@H]3CCCO3)n2)cc1O ZINC000136491977 346090829 /nfs/dbraw/zinc/09/08/29/346090829.db2.gz HHECIVNRPRYSFZ-GFCCVEGCSA-N 0 0 263.318 3.073 20 10 CGCDRN C[C@H]([NH2+]CCCC(C)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297441235 299288344 /nfs/dbraw/zinc/28/83/44/299288344.db2.gz WDZONEVEQUGBTR-VIFPVBQESA-N 0 0 288.294 3.386 20 10 CGCDRN C[C@@H]([NH2+]CCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273593406 296121383 /nfs/dbraw/zinc/12/13/83/296121383.db2.gz PWIXTVTZEFFFLC-MRVPVSSYSA-N 0 0 292.257 3.294 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1cccc(F)c1 ZINC000066293100 369691019 /nfs/dbraw/zinc/69/10/19/369691019.db2.gz YZAIZRGDEJWODO-CMDGGOBGSA-N 0 0 270.307 3.287 20 10 CGCDRN COc1ccc(N(Cc2nnc(C)o2)[C@@H](C)C2CC2)cc1 ZINC000111236730 370395014 /nfs/dbraw/zinc/39/50/14/370395014.db2.gz LKTDXIJLAAMTEE-NSHDSACASA-N 0 0 287.363 3.192 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000151420690 371600935 /nfs/dbraw/zinc/60/09/35/371600935.db2.gz BLAYUUSIGFDWLX-GFCCVEGCSA-N 0 0 288.416 3.234 20 10 CGCDRN CC[C@H]([NH2+]Cc1c[nH]nc1C)c1cccc(Cl)c1[O-] ZINC000287611791 371682343 /nfs/dbraw/zinc/68/23/43/371682343.db2.gz JGGLOVDSHQHWBJ-ZDUSSCGKSA-N 0 0 279.771 3.318 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000293676484 372446446 /nfs/dbraw/zinc/44/64/46/372446446.db2.gz QZUVICLQODXWOJ-IAQYHMDHSA-N 0 0 299.773 3.232 20 10 CGCDRN COCC(C)(C)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293882721 372511170 /nfs/dbraw/zinc/51/11/70/372511170.db2.gz JVYZJTPDDHHWEY-UHFFFAOYSA-N 0 0 275.751 3.042 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000168864533 372621242 /nfs/dbraw/zinc/62/12/42/372621242.db2.gz RTXWIJMGWFSOGV-VXGBXAGGSA-N 0 0 253.411 3.493 20 10 CGCDRN CCn1ccnc1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000297573492 373274283 /nfs/dbraw/zinc/27/42/83/373274283.db2.gz GUZVBVGXYGFRSW-AWEZNQCLSA-N 0 0 298.434 3.136 20 10 CGCDRN CCCSCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000298745665 373398533 /nfs/dbraw/zinc/39/85/33/373398533.db2.gz LEVXMVWTQHUITK-UHFFFAOYSA-N 0 0 292.448 3.046 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)N1CCCCCC1 ZINC000299059521 373453290 /nfs/dbraw/zinc/45/32/90/373453290.db2.gz SZVWPTJCKDENPX-SNVBAGLBSA-N 0 0 270.423 3.026 20 10 CGCDRN Cc1cc2c(N[C@H](C)c3ccc(N(C)C)cc3)nccn2n1 ZINC000302416518 373866236 /nfs/dbraw/zinc/86/62/36/373866236.db2.gz IXUMKDPEHLJAJE-CYBMUJFWSA-N 0 0 295.390 3.277 20 10 CGCDRN CCC[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000180318865 373991022 /nfs/dbraw/zinc/99/10/22/373991022.db2.gz SUYJRQDBMMPYQU-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN Cc1ccc(C(=O)N2CCCC(C)(C)CC2)c(O)c1O ZINC000182506134 374283976 /nfs/dbraw/zinc/28/39/76/374283976.db2.gz WUNAKYFMFXUZAB-UHFFFAOYSA-N 0 0 277.364 3.059 20 10 CGCDRN CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187692290 375073892 /nfs/dbraw/zinc/07/38/92/375073892.db2.gz YYNRZNRDEQQGKP-QWRGUYRKSA-N 0 0 286.366 3.051 20 10 CGCDRN C[C@H](Nc1ccc(OC2COC2)cc1)c1ccccc1O ZINC000188650953 375248493 /nfs/dbraw/zinc/24/84/93/375248493.db2.gz GZLQUPCUTCONFJ-LBPRGKRZSA-N 0 0 285.343 3.343 20 10 CGCDRN C[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C[NH+]1CCCC1 ZINC000191210125 375596472 /nfs/dbraw/zinc/59/64/72/375596472.db2.gz JTACMFIGWFEASH-VXGBXAGGSA-N 0 0 298.377 3.053 20 10 CGCDRN O=C(NCc1ccccc1O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000528855290 375911984 /nfs/dbraw/zinc/91/19/84/375911984.db2.gz QNSQDPROTGKZFP-JKSUJKDBSA-N 0 0 299.345 3.341 20 10 CGCDRN CC1(C(=O)NCc2ccccc2O)CCC(F)(F)CC1 ZINC000528852688 375912080 /nfs/dbraw/zinc/91/20/80/375912080.db2.gz CHJIOJLJZPEMEU-UHFFFAOYSA-N 0 0 283.318 3.224 20 10 CGCDRN Nc1ccc(CC(=O)NCCCC2CCCCC2)cc1 ZINC000238111049 376770522 /nfs/dbraw/zinc/77/05/22/376770522.db2.gz GYBLKTCADHHPAQ-UHFFFAOYSA-N 0 0 274.408 3.288 20 10 CGCDRN Nc1ccc(CC(=O)NCC2CCCCCCC2)cc1 ZINC000238110708 376770899 /nfs/dbraw/zinc/77/08/99/376770899.db2.gz UDXBMXVBACMKNH-UHFFFAOYSA-N 0 0 274.408 3.288 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000269639755 378247693 /nfs/dbraw/zinc/24/76/93/378247693.db2.gz XCFJGAOVEAPZPL-QWHCGFSZSA-N 0 0 287.384 3.182 20 10 CGCDRN COc1ccc(N(CCn2ccnc2C)C(C)C)cc1F ZINC000270878897 378408766 /nfs/dbraw/zinc/40/87/66/378408766.db2.gz NEPMCVRDMKZFOW-UHFFFAOYSA-N 0 0 291.370 3.254 20 10 CGCDRN CC[C@@H](C(=O)NCc1ccccc1O)c1ccc(OC)cc1 ZINC000271907059 378513202 /nfs/dbraw/zinc/51/32/02/378513202.db2.gz LPCYLKYOVPIFKV-MRXNPFEDSA-N 0 0 299.370 3.211 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(O)c(C)c1 ZINC000272502948 378651402 /nfs/dbraw/zinc/65/14/02/378651402.db2.gz LPGQXQXXHSDHEW-UHFFFAOYSA-N 0 0 299.370 3.459 20 10 CGCDRN C[C@H]1C[C@H](CC[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000273180021 378737646 /nfs/dbraw/zinc/73/76/46/378737646.db2.gz ODGIRGWZHGFMAK-NWDGAFQWSA-N 0 0 283.799 3.340 20 10 CGCDRN CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278214696 379319864 /nfs/dbraw/zinc/31/98/64/379319864.db2.gz KRGQBDFWYLIUIY-GFCCVEGCSA-N 0 0 294.351 3.074 20 10 CGCDRN Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)no1 ZINC000375023680 379485801 /nfs/dbraw/zinc/48/58/01/379485801.db2.gz VHZUPBJPPURFCJ-HNNXBMFYSA-N 0 0 272.348 3.334 20 10 CGCDRN CC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(F)cc1[O-] ZINC000286165981 380169150 /nfs/dbraw/zinc/16/91/50/380169150.db2.gz QDPWZXPPDTVUJG-CQSZACIVSA-N 0 0 281.371 3.267 20 10 CGCDRN CC[C@@H]([NH2+]CCc1nccs1)c1ccc(F)cc1[O-] ZINC000286215249 380177388 /nfs/dbraw/zinc/17/73/88/380177388.db2.gz SFDZUMKIAVHMGU-GFCCVEGCSA-N 0 0 280.368 3.271 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286275233 380188017 /nfs/dbraw/zinc/18/80/17/380188017.db2.gz VNWRNSWIEAYTPS-WFASDCNBSA-N 0 0 283.387 3.371 20 10 CGCDRN CC[C@H]([NH2+]CCc1ccccn1)c1ccc(F)cc1[O-] ZINC000285877070 380152348 /nfs/dbraw/zinc/15/23/48/380152348.db2.gz ZGJBMNOFUYUILE-HNNXBMFYSA-N 0 0 274.339 3.210 20 10 CGCDRN CN(C)c1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)cc1 ZINC000294923847 542405306 /nfs/dbraw/zinc/40/53/06/542405306.db2.gz YYESPRIAJGHCTA-MRXNPFEDSA-N 0 0 298.434 3.069 20 10 CGCDRN C[C@@H](N[C@@H](C)c1ccc(F)cc1O)C(F)(F)F ZINC000287391787 392397409 /nfs/dbraw/zinc/39/74/09/392397409.db2.gz QERQEPAETAQTJT-NKWVEPMBSA-N 0 0 251.223 3.133 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncnc(CC)c1F ZINC000301974726 392605604 /nfs/dbraw/zinc/60/56/04/392605604.db2.gz VOWOTGNZWQQXMV-UHFFFAOYSA-N 0 0 289.354 3.300 20 10 CGCDRN CCCC(C)(C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000649789219 397719324 /nfs/dbraw/zinc/71/93/24/397719324.db2.gz PQMMTXKIUBSEDZ-UHFFFAOYSA-N 0 0 290.407 3.304 20 10 CGCDRN C[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1O ZINC000019966244 170947719 /nfs/dbraw/zinc/94/77/19/170947719.db2.gz PNHAKDIWLNMUQB-SNVBAGLBSA-N 0 0 257.289 3.294 20 10 CGCDRN Cc1ccc(C)c(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000020373838 171169389 /nfs/dbraw/zinc/16/93/89/171169389.db2.gz NMIQNPVFEFYJQF-UHFFFAOYSA-N 0 0 254.333 3.162 20 10 CGCDRN COc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000023744597 171426687 /nfs/dbraw/zinc/42/66/87/171426687.db2.gz UHGZXNHWUFSEPM-UHFFFAOYSA-N 0 0 298.386 3.033 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@H](C)c1cc(C)ccc1O ZINC000035628843 172307730 /nfs/dbraw/zinc/30/77/30/172307730.db2.gz JIDYSLFRKQEEJI-SNVBAGLBSA-N 0 0 259.353 3.224 20 10 CGCDRN COCc1cc(NCc2c(C)c3ccccc3n2C)ncn1 ZINC000684590678 544016962 /nfs/dbraw/zinc/01/69/62/544016962.db2.gz HFKAUOAMLLMKDT-UHFFFAOYSA-N 0 0 296.374 3.035 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)C ZINC000350043443 226919869 /nfs/dbraw/zinc/91/98/69/226919869.db2.gz WHLIXPKAPGXTOJ-UHFFFAOYSA-N 0 0 273.380 3.084 20 10 CGCDRN C[C@H]1CCC[C@H](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000070545836 260157814 /nfs/dbraw/zinc/15/78/14/260157814.db2.gz LDYZYDUKRPOWCB-UONOGXRCSA-N 0 0 274.408 3.144 20 10 CGCDRN CCC(CC)N(CC(C)C)C(=O)c1cccc(O)c1O ZINC000126477408 260353141 /nfs/dbraw/zinc/35/31/41/260353141.db2.gz DULZULHGYPLJMR-UHFFFAOYSA-N 0 0 279.380 3.385 20 10 CGCDRN CC(C)NC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164072409 261339089 /nfs/dbraw/zinc/33/90/89/261339089.db2.gz PFVVEEKPWSQWHD-UHFFFAOYSA-N 0 0 272.439 3.057 20 10 CGCDRN Cc1cc(COc2ccc(N3CCCC3)cc2)on1 ZINC000178193116 261732441 /nfs/dbraw/zinc/73/24/41/261732441.db2.gz UZQVIKAQEBTILD-UHFFFAOYSA-N 0 0 258.321 3.162 20 10 CGCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000180223241 261848218 /nfs/dbraw/zinc/84/82/18/261848218.db2.gz DYFPIABJTLKPER-OAHLLOKOSA-N 0 0 293.363 3.166 20 10 CGCDRN CCCOc1ccc(CNc2nnc(C(C)C)o2)c(O)c1 ZINC000181620551 261905342 /nfs/dbraw/zinc/90/53/42/261905342.db2.gz ALGDMIKLPHSESH-UHFFFAOYSA-N 0 0 291.351 3.300 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000184944388 262034977 /nfs/dbraw/zinc/03/49/77/262034977.db2.gz ZCTOPGDMRIIFDZ-SJKOYZFVSA-N 0 0 289.350 3.224 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)(C)C ZINC000185617573 262062318 /nfs/dbraw/zinc/06/23/18/262062318.db2.gz TXYNUMVQLMNYMW-HZMBPMFUSA-N 0 0 269.360 3.243 20 10 CGCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)(C)C ZINC000185617607 262062485 /nfs/dbraw/zinc/06/24/85/262062485.db2.gz TXYNUMVQLMNYMW-IINYFYTJSA-N 0 0 269.360 3.243 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(OC3COC3)cc2)cc1 ZINC000186498465 262095645 /nfs/dbraw/zinc/09/56/45/262095645.db2.gz UKHNOWPEQOBWES-UHFFFAOYSA-N 0 0 298.386 3.142 20 10 CGCDRN CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000277000308 263039009 /nfs/dbraw/zinc/03/90/09/263039009.db2.gz ZDMJFXLFHRTKMA-MEBBXXQBSA-N 0 0 299.361 3.118 20 10 CGCDRN CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000277000303 263039138 /nfs/dbraw/zinc/03/91/38/263039138.db2.gz ZDMJFXLFHRTKMA-BMIGLBTASA-N 0 0 299.361 3.118 20 10 CGCDRN Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000277004654 263039186 /nfs/dbraw/zinc/03/91/86/263039186.db2.gz ZYVCCCGNLNHUSZ-RNFRBKRXSA-N 0 0 299.346 3.242 20 10 CGCDRN CN(C)c1ccc(OCc2ncc(C3CC3)o2)cc1 ZINC000289306586 263108900 /nfs/dbraw/zinc/10/89/00/263108900.db2.gz ASMSJSWEZCJCRF-UHFFFAOYSA-N 0 0 258.321 3.197 20 10 CGCDRN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(C)(F)F ZINC000293605595 263144108 /nfs/dbraw/zinc/14/41/08/263144108.db2.gz DZWVLTNDQYINKF-SNVBAGLBSA-N 0 0 297.345 3.179 20 10 CGCDRN CCC[C@H](C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297329028 263203434 /nfs/dbraw/zinc/20/34/34/263203434.db2.gz XOSWVXRHMVJDQX-KRWDZBQOSA-N 0 0 282.387 3.469 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000368037145 267138646 /nfs/dbraw/zinc/13/86/46/267138646.db2.gz MAECVSABEBMFCK-UHFFFAOYSA-N 0 0 286.350 3.138 20 10 CGCDRN Cc1cccc(CNc2cn(C)nc2-c2ccccn2)c1O ZINC000371797026 267465348 /nfs/dbraw/zinc/46/53/48/267465348.db2.gz SNICVKMKGCMSPI-UHFFFAOYSA-N 0 0 294.358 3.108 20 10 CGCDRN CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278257829 276526786 /nfs/dbraw/zinc/52/67/86/276526786.db2.gz NHLAVZUUWLJWSY-YUMQZZPRSA-N 0 0 278.179 3.121 20 10 CGCDRN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273612682 277644161 /nfs/dbraw/zinc/64/41/61/277644161.db2.gz WQSVXYJFEUJEKT-PSOPSSQASA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@H]([NH2+]CCC(C)(C)CO)c1cccc(Cl)c1[O-] ZINC000296568607 288038454 /nfs/dbraw/zinc/03/84/54/288038454.db2.gz SUBIHBPVKVTDOQ-ZDUSSCGKSA-N 0 0 285.815 3.495 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000287590503 288047206 /nfs/dbraw/zinc/04/72/06/288047206.db2.gz HYWFPLAJAWKLFU-MFKMUULPSA-N 0 0 271.788 3.105 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C(C)(C)C)o2)cc1C ZINC000185885587 327849822 /nfs/dbraw/zinc/84/98/22/327849822.db2.gz NMKMVZOQAQQMEH-UHFFFAOYSA-N 0 0 275.352 3.302 20 10 CGCDRN CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000255911394 327029195 /nfs/dbraw/zinc/02/91/95/327029195.db2.gz NRRLFOUSWYKJRR-FPLPWBNLSA-N 0 0 297.314 3.056 20 10 CGCDRN Cc1o[nH]c(=NCc2c(C)c3ccccc3n2C)c1C ZINC000453055353 331085140 /nfs/dbraw/zinc/08/51/40/331085140.db2.gz ZIKIWCVCGBAAJK-UHFFFAOYSA-N 0 0 269.348 3.126 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CC1CC1 ZINC000471904570 331523868 /nfs/dbraw/zinc/52/38/68/331523868.db2.gz FFUKCIYQQYRAAE-GFCCVEGCSA-N 0 0 299.418 3.475 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC=C(C)CC1 ZINC000472223424 331532075 /nfs/dbraw/zinc/53/20/75/331532075.db2.gz LYADJIBSQXPPIR-UHFFFAOYSA-N 0 0 297.402 3.348 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccn1)c1cccc(Cl)c1 ZINC000491153131 332157519 /nfs/dbraw/zinc/15/75/19/332157519.db2.gz YYMBGLZXTAVCQZ-VOTSOKGWSA-N 0 0 287.750 3.196 20 10 CGCDRN COC(=O)c1cnc(S[C@@H]2C=CCCC2)s1 ZINC000295400377 534307481 /nfs/dbraw/zinc/30/74/81/534307481.db2.gz WCQLCEAWLXEPCI-MRVPVSSYSA-N 0 0 255.364 3.131 20 10 CGCDRN CCCC(O)(CCC)CC(=O)N(C)Cc1ccccc1O ZINC000130672144 519885206 /nfs/dbraw/zinc/88/52/06/519885206.db2.gz OLBRBGQNBPROCB-UHFFFAOYSA-N 0 0 293.407 3.072 20 10 CGCDRN CCCn1ncnc1CN(CC)c1ccc(OCC)cc1 ZINC000279060832 519893306 /nfs/dbraw/zinc/89/33/06/519893306.db2.gz INFCDGXNJKCXDD-UHFFFAOYSA-N 0 0 288.395 3.113 20 10 CGCDRN CCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159494 519912282 /nfs/dbraw/zinc/91/22/82/519912282.db2.gz SXNUVYXRKYABJV-UHFFFAOYSA-N 0 0 261.365 3.077 20 10 CGCDRN CCOCc1cc(CN[C@H](C)C(F)(F)F)ccc1OC ZINC000288565154 520185744 /nfs/dbraw/zinc/18/57/44/520185744.db2.gz ZFCVGMIFFGVBDG-SNVBAGLBSA-N 0 0 291.313 3.272 20 10 CGCDRN CCN(Cc1csc(C)n1)c1ccc(OC)c(OC)c1 ZINC000265670885 521442568 /nfs/dbraw/zinc/44/25/68/521442568.db2.gz ZLUSIVXYVCNSLR-UHFFFAOYSA-N 0 0 292.404 3.495 20 10 CGCDRN COC(=O)c1cc(CSc2nccs2)oc1C ZINC000299047175 521864259 /nfs/dbraw/zinc/86/42/59/521864259.db2.gz OJJKSTADUMDBOK-UHFFFAOYSA-N 0 0 269.347 3.123 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C=C(C2CC2)C2CC2)cc1 ZINC000298849291 522165420 /nfs/dbraw/zinc/16/54/20/522165420.db2.gz MBXDFZFTPDGEGY-UHFFFAOYSA-N 0 0 298.430 3.457 20 10 CGCDRN CCn1cc(N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000037261136 523439077 /nfs/dbraw/zinc/43/90/77/523439077.db2.gz YRITWWANWSVASW-LBPRGKRZSA-N 0 0 258.369 3.142 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C[C@@H]3C=CCC3)ccc21 ZINC000299394400 523859914 /nfs/dbraw/zinc/85/99/14/523859914.db2.gz UPLBVODGTNAMTG-CQSZACIVSA-N 0 0 284.403 3.042 20 10 CGCDRN CCc1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000042879297 523994859 /nfs/dbraw/zinc/99/48/59/523994859.db2.gz LMLICXSZEDOCKT-UHFFFAOYSA-N 0 0 271.316 3.295 20 10 CGCDRN Cc1cccc(C)c1CCNC(=O)NCc1ccccc1O ZINC000268907862 524256160 /nfs/dbraw/zinc/25/61/60/524256160.db2.gz RUZBIAPMORRLKJ-UHFFFAOYSA-N 0 0 298.386 3.051 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062746791 524747907 /nfs/dbraw/zinc/74/79/07/524747907.db2.gz KQSRSPLLAXPHIK-MNOVXSKESA-N 0 0 263.312 3.406 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(F)c(F)c1[O-] ZINC000279681180 525417507 /nfs/dbraw/zinc/41/75/07/525417507.db2.gz AAULYPAXESXMQY-DTWKUNHWSA-N 0 0 273.348 3.074 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(F)cc1[O-] ZINC000290179180 525506412 /nfs/dbraw/zinc/50/64/12/525506412.db2.gz FEOWQZZNYKIHCW-NEPJUHHUSA-N 0 0 287.334 3.358 20 10 CGCDRN COc1cccc(CNc2cc(C)ccc2[N+](=O)[O-])c1O ZINC000157394502 526042282 /nfs/dbraw/zinc/04/22/82/526042282.db2.gz YGLVJOZCZXALEA-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN Cc1csc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000293672880 526317733 /nfs/dbraw/zinc/31/77/33/526317733.db2.gz KPRGMPJYYYDESG-UHFFFAOYSA-N 0 0 274.389 3.053 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000158032771 526327342 /nfs/dbraw/zinc/32/73/42/526327342.db2.gz HQNOPLOOZLVALI-CQSZACIVSA-N 0 0 294.826 3.106 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000291664348 526329637 /nfs/dbraw/zinc/32/96/37/526329637.db2.gz VPSCSPAHDZVVMJ-OAHLLOKOSA-N 0 0 261.340 3.296 20 10 CGCDRN Fc1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000265969435 526354439 /nfs/dbraw/zinc/35/44/39/526354439.db2.gz ASJWGMMZTCQAAQ-UHFFFAOYSA-N 0 0 271.339 3.433 20 10 CGCDRN CC[C@@H](C)NC(=S)N(CC)Cc1ccc(N(C)C)cc1 ZINC000749765178 573034250 /nfs/dbraw/zinc/03/42/50/573034250.db2.gz ZSUPSVQCHUMPSB-CYBMUJFWSA-N 0 0 293.480 3.248 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H]1C ZINC000727735280 571766201 /nfs/dbraw/zinc/76/62/01/571766201.db2.gz TUTABJWWWOFFKR-BXKDBHETSA-N 0 0 274.389 3.294 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccccc2)c1 ZINC000728985075 571852387 /nfs/dbraw/zinc/85/23/87/571852387.db2.gz VTYLQYTZYDNMRJ-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN Cc1cc(F)ccc1NC(=O)C1=CC(=O)CS1 ZINC000731867072 572433288 /nfs/dbraw/zinc/43/32/88/572433288.db2.gz DFGGVCWVIMBJBB-UHFFFAOYSA-N 0 0 251.282 3.154 20 10 CGCDRN O=C(Nc1ccccc1N1CCCC1)C1=CC(=O)CS1 ZINC000731867573 572433348 /nfs/dbraw/zinc/43/33/48/572433348.db2.gz MSEPVHLBDZUYRL-UHFFFAOYSA-N 0 0 288.372 3.306 20 10 CGCDRN Cc1ccc(SCCNC(=O)C2=CC(=O)CS2)cc1 ZINC000731869202 572434560 /nfs/dbraw/zinc/43/45/60/572434560.db2.gz BQRZMXFHASSXQS-UHFFFAOYSA-N 0 0 293.413 3.284 20 10 CGCDRN COc1ccc([C@H](C)NC(=O)C2=CC(=O)CS2)cc1F ZINC000732257737 572458387 /nfs/dbraw/zinc/45/83/87/572458387.db2.gz ADTFUWVYGPILSR-QMMMGPOBSA-N 0 0 295.335 3.092 20 10 CGCDRN CC1(c2ccccc2)CC(NC(=O)C2=CC(=O)CS2)C1 ZINC000732289406 572459206 /nfs/dbraw/zinc/45/92/06/572459206.db2.gz PGSKQAYMEVQCDZ-UHFFFAOYSA-N 0 0 287.384 3.304 20 10 CGCDRN Cc1ccc(C[C@H](C)NC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732290666 572459244 /nfs/dbraw/zinc/45/92/44/572459244.db2.gz WBXIRPNPOOCABS-LBPRGKRZSA-N 0 0 289.400 3.432 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C\c1cnc(C)s1 ZINC000732733381 572481154 /nfs/dbraw/zinc/48/11/54/572481154.db2.gz BTWIYSOFLCUZPD-HJWRWDBZSA-N 0 0 288.372 3.136 20 10 CGCDRN CCCCOC(=O)[C@H](C)N(C)c1ccc(OCC)cc1 ZINC000741795135 572530704 /nfs/dbraw/zinc/53/07/04/572530704.db2.gz MUGCRMUSXBBGRA-ZDUSSCGKSA-N 0 0 279.380 3.253 20 10 CGCDRN CCN(Cc1cc(C(=O)OC)co1)c1ccc(OC)cc1 ZINC000726597292 572587780 /nfs/dbraw/zinc/58/77/80/572587780.db2.gz FTCZWIQAQIZSHJ-UHFFFAOYSA-N 0 0 289.331 3.101 20 10 CGCDRN COC[C@@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000733705766 572597290 /nfs/dbraw/zinc/59/72/90/572597290.db2.gz CJZSNMNOXYLJJN-GFCCVEGCSA-N 0 0 293.388 3.347 20 10 CGCDRN C/C(=C/C(=O)NCCCSc1nccs1)C1CC1 ZINC000733972393 572621270 /nfs/dbraw/zinc/62/12/70/572621270.db2.gz FQYOJCADKDSXEF-KTKRTIGZSA-N 0 0 282.434 3.098 20 10 CGCDRN Cc1cccnc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000734517062 572659810 /nfs/dbraw/zinc/65/98/10/572659810.db2.gz HNBQXSHYLAOYGW-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)C(C)C ZINC000734686932 572675084 /nfs/dbraw/zinc/67/50/84/572675084.db2.gz YQQLDEZMPPCGNS-CQSZACIVSA-N 0 0 291.439 3.247 20 10 CGCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC000743789538 572683633 /nfs/dbraw/zinc/68/36/33/572683633.db2.gz NMRARJXZGGAGCV-MRVPVSSYSA-N 0 0 297.326 3.265 20 10 CGCDRN C[C@H](COC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000735143661 572705337 /nfs/dbraw/zinc/70/53/37/572705337.db2.gz IZZHDWHVZSVLGQ-SNVBAGLBSA-N 0 0 262.330 3.414 20 10 CGCDRN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000735704130 572738222 /nfs/dbraw/zinc/73/82/22/572738222.db2.gz QFLJNXVOYZHYRB-ZWNOBZJWSA-N 0 0 297.420 3.025 20 10 CGCDRN CCN(CC(=O)NCCC(C)(C)C)c1ccc(OC)cc1 ZINC000746107774 572852823 /nfs/dbraw/zinc/85/28/23/572852823.db2.gz PJIHSJXWWMNKDL-UHFFFAOYSA-N 0 0 292.423 3.074 20 10 CGCDRN CC(C)c1ccc(CCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000746403765 572870055 /nfs/dbraw/zinc/87/00/55/572870055.db2.gz BMTGIUPGCWNLMF-UHFFFAOYSA-N 0 0 296.414 3.294 20 10 CGCDRN C/C(=C\C(=O)N(C)Cc1ccccc1O)C(C)(C)C ZINC000748026526 572958033 /nfs/dbraw/zinc/95/80/33/572958033.db2.gz DRZMHMFHNLQFLT-ZRDIBKRKSA-N 0 0 261.365 3.343 20 10 CGCDRN O=C(CCc1ccc(Cl)s1)NCc1ccccc1O ZINC000748344763 572974751 /nfs/dbraw/zinc/97/47/51/572974751.db2.gz BLALYEWCWSBZFK-UHFFFAOYSA-N 0 0 295.791 3.356 20 10 CGCDRN O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1O ZINC000748354296 572974965 /nfs/dbraw/zinc/97/49/65/572974965.db2.gz YUZWHWQFXOLWJX-UHFFFAOYSA-N 0 0 295.382 3.130 20 10 CGCDRN O=C(NCc1ccc(Cl)s1)NCc1ccccc1O ZINC000748460975 572978119 /nfs/dbraw/zinc/97/81/19/572978119.db2.gz UADQJTRTTSSAOA-UHFFFAOYSA-N 0 0 296.779 3.107 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000748460788 572978145 /nfs/dbraw/zinc/97/81/45/572978145.db2.gz QTKRGBWYGDUMQV-OCCSQVGLSA-N 0 0 276.380 3.160 20 10 CGCDRN O=C(/C=C\c1cncc(F)c1)N1CCCOc2ccccc21 ZINC000749369154 572994123 /nfs/dbraw/zinc/99/41/23/572994123.db2.gz OEXHAMIVLYGMHE-SREVYHEPSA-N 0 0 298.317 3.050 20 10 CGCDRN CC[C@@H](C)NC(=S)NCc1ccc(N2CCCC2)cc1 ZINC000749760201 573031820 /nfs/dbraw/zinc/03/18/20/573031820.db2.gz KIMAVNWJHLEETP-CYBMUJFWSA-N 0 0 291.464 3.049 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCc1nnc(C2CC2)o1 ZINC000749795120 573039537 /nfs/dbraw/zinc/03/95/37/573039537.db2.gz HMCRKQMZTMSSDL-UHFFFAOYSA-N 0 0 285.347 3.126 20 10 CGCDRN COc1ccc(N(Cc2cnn(C)c2)CC(C)C)cc1 ZINC000749906533 573055454 /nfs/dbraw/zinc/05/54/54/573055454.db2.gz JLVBZYFMOUJSRB-UHFFFAOYSA-N 0 0 273.380 3.091 20 10 CGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000078005218 617968427 /nfs/dbraw/zinc/96/84/27/617968427.db2.gz AQVHUPKNUOWTQX-UHFFFAOYSA-N 0 0 297.763 3.155 20 10 CGCDRN CN(Cc1nccs1)Cc1cc2c(cc1O)CCCC2 ZINC000160339992 617976884 /nfs/dbraw/zinc/97/68/84/617976884.db2.gz ZDXSLHNTKDXNCC-UHFFFAOYSA-N 0 0 288.416 3.360 20 10 CGCDRN CCc1ccc(CNC(=O)CSc2nccs2)s1 ZINC000048876491 618055072 /nfs/dbraw/zinc/05/50/72/618055072.db2.gz OOIQQYZVYLKFAM-UHFFFAOYSA-N 0 0 298.458 3.176 20 10 CGCDRN CCC[C@@H](CC(C)C)C(=O)NCc1ccccc1O ZINC000308093617 618178803 /nfs/dbraw/zinc/17/88/03/618178803.db2.gz WDYJGLYRPYKNRC-ZDUSSCGKSA-N 0 0 263.381 3.471 20 10 CGCDRN COc1ccc(CN(C)c2ccccc2)c(O)c1OC ZINC000891435699 618204304 /nfs/dbraw/zinc/20/43/04/618204304.db2.gz HAMJGKJKDDLSCO-UHFFFAOYSA-N 0 0 273.332 3.046 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)C[C@H](C)O2 ZINC000255378168 618244331 /nfs/dbraw/zinc/24/43/31/618244331.db2.gz FBRUMHZWSNQCDM-QPBFKRLHSA-N 0 0 294.354 3.217 20 10 CGCDRN Cc1cccc(CNc2cccnc2OC(C)C)c1O ZINC000158139882 620797462 /nfs/dbraw/zinc/79/74/62/620797462.db2.gz NNCXUPSLTHRBEJ-UHFFFAOYSA-N 0 0 272.348 3.495 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000255589727 618744131 /nfs/dbraw/zinc/74/41/31/618744131.db2.gz PCGSXVBNEMUDHB-ZHRWSRJISA-N 0 0 282.318 3.384 20 10 CGCDRN COc1ccc(N(C)CCc2ccccc2)cc1OC ZINC000063616925 618751018 /nfs/dbraw/zinc/75/10/18/618751018.db2.gz VLKDHICVVUYOHM-UHFFFAOYSA-N 0 0 271.360 3.383 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(Cl)c1[O-] ZINC000287296092 618763120 /nfs/dbraw/zinc/76/31/20/618763120.db2.gz CFKUPKRIZGKFNG-PCDDKUFXSA-N 0 0 281.783 3.406 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1[O-] ZINC000177232553 618809802 /nfs/dbraw/zinc/80/98/02/618809802.db2.gz ZKLSECHKMBWLLN-LLVKDONJSA-N 0 0 279.355 3.354 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2csc(C)c2C)c1 ZINC000180420615 618877891 /nfs/dbraw/zinc/87/78/91/618877891.db2.gz YUAOZPJNTPFHOG-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN CC[C@H](CSC)[NH2+]Cc1cc(Cl)ccc1O ZINC000162189648 618878011 /nfs/dbraw/zinc/87/80/11/618878011.db2.gz WRXUKMLPPBGTTL-LLVKDONJSA-N 0 0 259.802 3.277 20 10 CGCDRN CC(C)(C)CCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181044090 619021761 /nfs/dbraw/zinc/02/17/61/619021761.db2.gz XPJKBWTUVGQXHM-VQHVLOKHSA-N 0 0 291.391 3.444 20 10 CGCDRN Cc1cc(O)c(CNCc2ccn(C(C)C)n2)c(Cl)c1 ZINC000840899451 619040744 /nfs/dbraw/zinc/04/07/44/619040744.db2.gz NBRGUXBSRJFVJG-UHFFFAOYSA-N 0 0 293.798 3.421 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000776230876 619117445 /nfs/dbraw/zinc/11/74/45/619117445.db2.gz BNNBGFJNNYRFAT-AWEZNQCLSA-N 0 0 283.799 3.340 20 10 CGCDRN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776257508 619118540 /nfs/dbraw/zinc/11/85/40/619118540.db2.gz YBQWUWNPNCAKJW-ZANVPECISA-N 0 0 287.762 3.089 20 10 CGCDRN OCCc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000313142313 619163730 /nfs/dbraw/zinc/16/37/30/619163730.db2.gz ORDFAZBDWTUYJS-HNNXBMFYSA-N 0 0 269.344 3.026 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC000931553705 619209445 /nfs/dbraw/zinc/20/94/45/619209445.db2.gz GUTHFGUCVSOHFX-GBIKHYSHSA-N 0 0 289.297 3.153 20 10 CGCDRN COc1ccc(CNc2cc(C)nc(C3CCC3)n2)c(O)c1 ZINC000893638626 619262751 /nfs/dbraw/zinc/26/27/51/619262751.db2.gz PXSXNRRMDUETQB-UHFFFAOYSA-N 0 0 299.374 3.379 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(F)cc1[O-] ZINC000185300076 625337344 /nfs/dbraw/zinc/33/73/44/625337344.db2.gz AZABEEXXWFUSSY-JTQLQIEISA-N 0 0 261.296 3.088 20 10 CGCDRN CCNC(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000236972737 619380141 /nfs/dbraw/zinc/38/01/41/619380141.db2.gz ZYNBUDOAZRDDGN-UHFFFAOYSA-N 0 0 297.402 3.114 20 10 CGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1C ZINC000078005188 619401289 /nfs/dbraw/zinc/40/12/89/619401289.db2.gz ZRMSRWMBTDJGSL-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN CCn1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])c1 ZINC000894543542 619570347 /nfs/dbraw/zinc/57/03/47/619570347.db2.gz TVGDQFVLRQTUIT-UHFFFAOYSA-N 0 0 280.318 3.124 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1[O-] ZINC000185377857 625354202 /nfs/dbraw/zinc/35/42/02/625354202.db2.gz VPNOHNXAZJZLDJ-JTQLQIEISA-N 0 0 288.297 3.393 20 10 CGCDRN COc1ccc(N(C)Cc2ccn(C(C)C)n2)c(OC)c1 ZINC000179007201 619735611 /nfs/dbraw/zinc/73/56/11/619735611.db2.gz RFXPVCDSWCMKNT-UHFFFAOYSA-N 0 0 289.379 3.118 20 10 CGCDRN CN(CCC1CCCCC1)C(=O)Cc1ccc(N)cc1 ZINC000237244399 619760624 /nfs/dbraw/zinc/76/06/24/619760624.db2.gz NZPGZZZJNVKYRX-UHFFFAOYSA-N 0 0 274.408 3.240 20 10 CGCDRN CC(C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000047600332 619838753 /nfs/dbraw/zinc/83/87/53/619838753.db2.gz ZQUFEQQGRDAEBL-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895585576 619855187 /nfs/dbraw/zinc/85/51/87/619855187.db2.gz ZCHUEHOPKJYVMD-VIFPVBQESA-N 0 0 296.342 3.116 20 10 CGCDRN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000895810149 619887420 /nfs/dbraw/zinc/88/74/20/619887420.db2.gz ZPFJEJQXXCINPP-UHFFFAOYSA-N 0 0 279.361 3.183 20 10 CGCDRN C[C@H]1CCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896187468 619963944 /nfs/dbraw/zinc/96/39/44/619963944.db2.gz PBUSPCMLVHFYGY-WPRPVWTQSA-N 0 0 291.372 3.231 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C1CCC(C(F)F)CC1 ZINC000896639023 620041704 /nfs/dbraw/zinc/04/17/04/620041704.db2.gz SYCDMJVTGKNMBQ-UHFFFAOYSA-N 0 0 273.298 3.445 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(Cl)cc1O ZINC000841751615 620374955 /nfs/dbraw/zinc/37/49/55/620374955.db2.gz IFWBSPVWRXPDPU-GXFFZTMASA-N 0 0 283.799 3.247 20 10 CGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)CC2(CCCC2)O1 ZINC000785430076 620376018 /nfs/dbraw/zinc/37/60/18/620376018.db2.gz OFSAAMADJUXHQT-UHFFFAOYSA-N 0 0 295.404 3.018 20 10 CGCDRN CC(C)n1nccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218542 620489257 /nfs/dbraw/zinc/48/92/57/620489257.db2.gz JPJZJLQFHRUNMS-UHFFFAOYSA-N 0 0 279.771 3.113 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2=CCCCCC2)cc1F ZINC000185775636 625435626 /nfs/dbraw/zinc/43/56/26/625435626.db2.gz XWZCZFXNDMYPFM-UHFFFAOYSA-N 0 0 290.382 3.398 20 10 CGCDRN CCn1cc(CSc2ncc(C(C)(C)C)s2)nn1 ZINC000901509746 620907651 /nfs/dbraw/zinc/90/76/51/620907651.db2.gz RBCJZJOFTMWWMG-UHFFFAOYSA-N 0 0 282.438 3.344 20 10 CGCDRN CCOc1ccc(CNc2cnc(C(C)C)nc2)c(O)c1 ZINC000902247013 621219519 /nfs/dbraw/zinc/21/95/19/621219519.db2.gz LFCJSORZNFMNFH-UHFFFAOYSA-N 0 0 287.363 3.316 20 10 CGCDRN C[C@H](N[C@H](c1ncccn1)C1CC1)c1c(O)cccc1F ZINC000903325706 621680923 /nfs/dbraw/zinc/68/09/23/621680923.db2.gz UNYWVFGBVLXQIQ-BONVTDFDSA-N 0 0 287.338 3.123 20 10 CGCDRN C[C@H](N[C@@H](c1ncccn1)C1CC1)c1c(O)cccc1F ZINC000903325708 621681021 /nfs/dbraw/zinc/68/10/21/621681021.db2.gz UNYWVFGBVLXQIQ-ZUZCIYMTSA-N 0 0 287.338 3.123 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc(F)cc1[O-] ZINC000903381521 621724225 /nfs/dbraw/zinc/72/42/25/621724225.db2.gz AQVZJJOAWCAQLW-XHDPSFHLSA-N 0 0 279.355 3.284 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(Cl)c1[O-] ZINC000903408308 621731758 /nfs/dbraw/zinc/73/17/58/621731758.db2.gz RVLSIBDODBDNNO-ZIAGYGMSSA-N 0 0 283.799 3.247 20 10 CGCDRN Cc1ccc(F)cc1NCc1cc2c(cc1O)OCO2 ZINC000042879291 621886180 /nfs/dbraw/zinc/88/61/80/621886180.db2.gz XAZKJCOKOBNWQL-UHFFFAOYSA-N 0 0 275.279 3.181 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C3CC3)CCC2)c1 ZINC000907061206 622280065 /nfs/dbraw/zinc/28/00/65/622280065.db2.gz SSSRFARTXOBXOX-LLVKDONJSA-N 0 0 289.375 3.158 20 10 CGCDRN CCN(C(=O)c1cccc2c1CCN2)c1ccc(OC)cc1 ZINC000912275908 622631451 /nfs/dbraw/zinc/63/14/51/622631451.db2.gz HDLIRALTNMHPRV-UHFFFAOYSA-N 0 0 296.370 3.330 20 10 CGCDRN C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000164481353 622837032 /nfs/dbraw/zinc/83/70/32/622837032.db2.gz BJYLFVALCOXIIP-UKRRQHHQSA-N 0 0 274.408 3.195 20 10 CGCDRN CN(C)c1ccc(CNCc2ncc(Cl)s2)cc1 ZINC000225302319 622905142 /nfs/dbraw/zinc/90/51/42/622905142.db2.gz QYMFZZWYOMBOEJ-UHFFFAOYSA-N 0 0 281.812 3.152 20 10 CGCDRN Cc1cccc(CNc2cccc(-n3ccnc3)c2)c1O ZINC000158016985 622992932 /nfs/dbraw/zinc/99/29/32/622992932.db2.gz LKCFUDZFEMXQOT-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN CN(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccco1 ZINC000158073746 623003944 /nfs/dbraw/zinc/00/39/44/623003944.db2.gz VIYQFOBKSAFLNV-ZDUSSCGKSA-N 0 0 294.782 3.031 20 10 CGCDRN Cc1ccc(C(=O)OC/C=C/c2ccccc2)c(O)c1O ZINC000060343437 623035701 /nfs/dbraw/zinc/03/57/01/623035701.db2.gz HUYCOIIRNVCKFM-VMPITWQZSA-N 0 0 284.311 3.276 20 10 CGCDRN Cc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000229595974 623146474 /nfs/dbraw/zinc/14/64/74/623146474.db2.gz LTMBPCPBXXUUJP-LBPRGKRZSA-N 0 0 273.380 3.208 20 10 CGCDRN Cc1cc(CNC(=O)C(C)C)c(C)n1-c1ccccc1 ZINC000062577224 623247683 /nfs/dbraw/zinc/24/76/83/623247683.db2.gz BKJPTSMQWNGNEE-UHFFFAOYSA-N 0 0 270.376 3.366 20 10 CGCDRN CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000230664448 623262564 /nfs/dbraw/zinc/26/25/64/623262564.db2.gz VZXWLUPHWUHEAU-ZMLRMANQSA-N 0 0 269.385 3.466 20 10 CGCDRN COc1cc(Cl)cc(CNc2ccc(F)nc2)c1O ZINC000230935669 623284220 /nfs/dbraw/zinc/28/42/20/623284220.db2.gz KDRDNROFILHFRV-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN CCn1cc(Cl)cc1C(=O)N[C@H](C)c1ccccc1O ZINC000913763384 623576678 /nfs/dbraw/zinc/57/66/78/623576678.db2.gz FFNFASYMSYHAIQ-SNVBAGLBSA-N 0 0 292.766 3.358 20 10 CGCDRN CSCCCCC(=O)NCc1ccc(N(C)C)cc1C ZINC000152348010 623645312 /nfs/dbraw/zinc/64/53/12/623645312.db2.gz WSRQBJNQUGHAMI-UHFFFAOYSA-N 0 0 294.464 3.211 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H]2C)c1 ZINC000914166132 623684022 /nfs/dbraw/zinc/68/40/22/623684022.db2.gz XYTZFHQDBXSQRK-GFCCVEGCSA-N 0 0 296.370 3.141 20 10 CGCDRN Cc1cc(C(=O)N(C)CCC2CC2)c(C)n1-c1ccccn1 ZINC000154064994 624179035 /nfs/dbraw/zinc/17/90/35/624179035.db2.gz ICYGOBZJCUIKCV-UHFFFAOYSA-N 0 0 297.402 3.361 20 10 CGCDRN CC(C)(C)c1cnc(SCCO[C@H]2CCOC2)s1 ZINC000917216955 624251759 /nfs/dbraw/zinc/25/17/59/624251759.db2.gz DZCPGLJQYGPJLA-JTQLQIEISA-N 0 0 287.450 3.338 20 10 CGCDRN O=C1N[C@@H](c2cccc(Cl)c2O)Nc2cc(F)ccc21 ZINC000917500636 624274564 /nfs/dbraw/zinc/27/45/64/624274564.db2.gz BPPKGJGUGPKKCQ-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN O=[S@](CCSc1ncc(Cl)s1)C(F)(F)F ZINC000918086380 624332229 /nfs/dbraw/zinc/33/22/29/624332229.db2.gz GLUGNTKMMABZRL-OAHLLOKOSA-N 0 0 295.760 3.157 20 10 CGCDRN COC(=O)/C=C(\C)CSc1ncc(Cl)s1 ZINC000918094788 624333246 /nfs/dbraw/zinc/33/32/46/624333246.db2.gz BYGKWOMXVASJFN-ZZXKWVIFSA-N 0 0 263.771 3.008 20 10 CGCDRN O=C(NCCCSc1nccs1)N1CCCCCC1 ZINC000154672193 624341782 /nfs/dbraw/zinc/34/17/82/624341782.db2.gz AHWONRZBKMHLOE-UHFFFAOYSA-N 0 0 299.465 3.211 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccoc1 ZINC000175541337 624644466 /nfs/dbraw/zinc/64/44/66/624644466.db2.gz CNZWFXRMVMNMDT-UHFFFAOYSA-N 0 0 287.359 3.357 20 10 CGCDRN Cc1csc([C@H](C)[NH2+]Cc2cc(C)ccc2O)n1 ZINC000070988828 625050068 /nfs/dbraw/zinc/05/00/68/625050068.db2.gz VCFPQQIUVJAJGF-NSHDSACASA-N 0 0 262.378 3.316 20 10 CGCDRN CC(C)C[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000163164659 626081308 /nfs/dbraw/zinc/08/13/08/626081308.db2.gz KBDNUDIYNKNSJR-AWEZNQCLSA-N 0 0 291.439 3.329 20 10 CGCDRN Cc1cccc([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)c1 ZINC000753512341 626172200 /nfs/dbraw/zinc/17/22/00/626172200.db2.gz NDYOBYKDTOYLLP-ZDUSSCGKSA-N 0 0 287.384 3.392 20 10 CGCDRN Cc1cc(N(C)C)ccc1[C@@H]1Nc2ccccc2C(=O)N1C ZINC000840786198 626175752 /nfs/dbraw/zinc/17/57/52/626175752.db2.gz ZBTSCNVOBUQPLO-QGZVFWFLSA-N 0 0 295.386 3.257 20 10 CGCDRN CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788592404 626183919 /nfs/dbraw/zinc/18/39/19/626183919.db2.gz BXOGDQVZHBNISQ-ZANVPECISA-N 0 0 291.313 3.223 20 10 CGCDRN CCC1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000838559212 626236897 /nfs/dbraw/zinc/23/68/97/626236897.db2.gz LLOAWHNTBBRLPI-LBPRGKRZSA-N 0 0 275.396 3.055 20 10 CGCDRN Cc1ccc(C(=O)OCCCCC(F)(F)F)c(O)c1O ZINC000751698228 626401174 /nfs/dbraw/zinc/40/11/74/626401174.db2.gz YQDKDSJBQGRFEF-UHFFFAOYSA-N 0 0 292.253 3.296 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)cn2)cc1 ZINC000753040581 626444196 /nfs/dbraw/zinc/44/41/96/626444196.db2.gz JWZTUBMYBSFAQP-UHFFFAOYSA-N 0 0 297.402 3.166 20 10 CGCDRN CC(C)(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873991291 634503365 /nfs/dbraw/zinc/50/33/65/634503365.db2.gz IASGFRXQPQNYNQ-UHFFFAOYSA-N 0 0 276.340 3.015 20 10 CGCDRN CC[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873989668 634503494 /nfs/dbraw/zinc/50/34/94/634503494.db2.gz HWECLOGSASXLJW-NSHDSACASA-N 0 0 288.351 3.111 20 10 CGCDRN C[C@H]1CSCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000754156530 626561765 /nfs/dbraw/zinc/56/17/65/626561765.db2.gz SDYFYTIFLQUISD-SECBINFHSA-N 0 0 289.803 3.370 20 10 CGCDRN COC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756342111 626693715 /nfs/dbraw/zinc/69/37/15/626693715.db2.gz MZKOYTBIUXTUKZ-JGVFFNPUSA-N 0 0 278.179 3.385 20 10 CGCDRN CCOCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756424270 626705144 /nfs/dbraw/zinc/70/51/44/626705144.db2.gz RXKLYSZNYNGODB-SNVBAGLBSA-N 0 0 273.323 3.138 20 10 CGCDRN CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756454143 626706756 /nfs/dbraw/zinc/70/67/56/626706756.db2.gz KBEPGNQTGZXFKB-HBNTYKKESA-N 0 0 266.341 3.386 20 10 CGCDRN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534799 626713379 /nfs/dbraw/zinc/71/33/79/626713379.db2.gz OURLUIUEZWCFBZ-BDAKNGLRSA-N 0 0 295.333 3.124 20 10 CGCDRN CCC(CC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756552253 626714727 /nfs/dbraw/zinc/71/47/27/626714727.db2.gz DHIOXTDRIGQKSE-JTQLQIEISA-N 0 0 266.341 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000756635873 626722624 /nfs/dbraw/zinc/72/26/24/626722624.db2.gz BIYZHCWOPMALBA-JJMVLAAESA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@@H]([NH2+]CCCc1nccs1)c1cc(F)cc(F)c1[O-] ZINC000756730470 626728420 /nfs/dbraw/zinc/72/84/20/626728420.db2.gz PZCLFSWFSXKCLD-SECBINFHSA-N 0 0 298.358 3.410 20 10 CGCDRN C[C@H]([NH2+]CC1(CO)CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756738382 626728934 /nfs/dbraw/zinc/72/89/34/626728934.db2.gz GPNAYEUFGOEFKR-NSHDSACASA-N 0 0 299.361 3.264 20 10 CGCDRN Cc1ncc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000756763009 626730250 /nfs/dbraw/zinc/73/02/50/626730250.db2.gz WOCWBKHUFZMXOA-SECBINFHSA-N 0 0 280.368 3.190 20 10 CGCDRN COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)nc1 ZINC000756845893 626737171 /nfs/dbraw/zinc/73/71/71/626737171.db2.gz UVILLZGFDJUQGZ-QMMMGPOBSA-N 0 0 280.274 3.247 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cnn(-c3ccccn3)c2)c(O)c1 ZINC000756854951 626737862 /nfs/dbraw/zinc/73/78/62/626737862.db2.gz BWZLNUZRRSYXHZ-ZDUSSCGKSA-N 0 0 294.358 3.454 20 10 CGCDRN CCN(Cc1cc(OC)cc(C)n1)c1ccc(OC)cc1 ZINC000757085385 626753944 /nfs/dbraw/zinc/75/39/44/626753944.db2.gz WVZSKAIKFZKJPZ-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2CCCCC2)c1 ZINC000103593263 626789131 /nfs/dbraw/zinc/78/91/31/626789131.db2.gz KKMDDIOQRQURDS-LLVKDONJSA-N 0 0 292.379 3.094 20 10 CGCDRN C[C@@H](Nc1cccc2c1OCO2)c1ccc(F)cc1O ZINC000757660018 626797999 /nfs/dbraw/zinc/79/79/99/626797999.db2.gz YIJVENQJWAHNLK-SECBINFHSA-N 0 0 275.279 3.433 20 10 CGCDRN Oc1ccc(F)cc1CN1CCO[C@H](C2CCCCC2)C1 ZINC000758062995 626824542 /nfs/dbraw/zinc/82/45/42/626824542.db2.gz QDINVBFSXXAVJO-KRWDZBQOSA-N 0 0 293.382 3.312 20 10 CGCDRN O=C(OCCCc1cccc(F)c1)c1cccc(O)c1O ZINC000758557679 626848986 /nfs/dbraw/zinc/84/89/86/626848986.db2.gz KDFQWGCEDUVMQE-UHFFFAOYSA-N 0 0 290.290 3.027 20 10 CGCDRN C[C@@H](COC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000758581900 626849765 /nfs/dbraw/zinc/84/97/65/626849765.db2.gz PKLJBDWERVFUHQ-NSHDSACASA-N 0 0 272.300 3.058 20 10 CGCDRN CCCCCNC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759932449 626931832 /nfs/dbraw/zinc/93/18/32/626931832.db2.gz FVBGONWRIJPZJS-UHFFFAOYSA-N 0 0 292.423 3.216 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCCCO2)cc1 ZINC000759933805 626931932 /nfs/dbraw/zinc/93/19/32/626931932.db2.gz QBUVBSUJANINPH-INIZCTEOSA-N 0 0 263.381 3.479 20 10 CGCDRN C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000760041123 626938007 /nfs/dbraw/zinc/93/80/07/626938007.db2.gz WFRJDIIMWDRICN-LURJTMIESA-N 0 0 263.234 3.119 20 10 CGCDRN CN(C)c1ccc(CNc2nc3ccccc3n2C)cc1F ZINC000762519180 627114453 /nfs/dbraw/zinc/11/44/53/627114453.db2.gz DESGZQJXUYEAML-UHFFFAOYSA-N 0 0 298.365 3.391 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(C3CC3)nn2)cc1C ZINC000762650125 627119218 /nfs/dbraw/zinc/11/92/18/627119218.db2.gz BRERCNKGKOMKFG-UHFFFAOYSA-N 0 0 269.348 3.289 20 10 CGCDRN Cc1sc(Cl)nc1C(=O)N(C)Cc1ccccc1O ZINC000762843749 627128166 /nfs/dbraw/zinc/12/81/66/627128166.db2.gz SLROHDYIQWCLSD-UHFFFAOYSA-N 0 0 296.779 3.083 20 10 CGCDRN Cn1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1 ZINC000763276046 627148330 /nfs/dbraw/zinc/14/83/30/627148330.db2.gz FLVSBNISTROTHG-SDQBBNPISA-N 0 0 258.708 3.171 20 10 CGCDRN CC[C@@H](NCc1cc(C)c(C)cc1O)C(=O)OC(C)(C)C ZINC000763500547 627161531 /nfs/dbraw/zinc/16/15/31/627161531.db2.gz GCNHFZYEISYHBG-CQSZACIVSA-N 0 0 293.407 3.219 20 10 CGCDRN CC(C)c1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1 ZINC000763755123 627176541 /nfs/dbraw/zinc/17/65/41/627176541.db2.gz NIIWMKCWVKGCJX-RMKNXTFCSA-N 0 0 281.359 3.276 20 10 CGCDRN CCC[C@@H](NC(=O)C1=CC(=O)CS1)C1CCC1 ZINC000839797159 627197554 /nfs/dbraw/zinc/19/75/54/627197554.db2.gz GLKUTTBBPJWAQA-LLVKDONJSA-N 0 0 253.367 3.152 20 10 CGCDRN COc1cccc(CN2C[C@@H](C)Oc3ccccc32)c1O ZINC000765648186 627265230 /nfs/dbraw/zinc/26/52/30/627265230.db2.gz CVNDNNCFUTUBEL-GFCCVEGCSA-N 0 0 285.343 3.188 20 10 CGCDRN CCC1(c2ccccc2)CN(C(=O)C2=CC(=O)CS2)C1 ZINC000839798428 627268555 /nfs/dbraw/zinc/26/85/55/627268555.db2.gz URBQBRDXNAXPEU-UHFFFAOYSA-N 0 0 287.384 3.258 20 10 CGCDRN CN(CCCC1CCOCC1)c1ccc2c(c1)OCO2 ZINC000765950734 627280762 /nfs/dbraw/zinc/28/07/62/627280762.db2.gz UUJCCIPZAMTALP-UHFFFAOYSA-N 0 0 277.364 3.058 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ncc(C)cn1 ZINC000766269427 627308570 /nfs/dbraw/zinc/30/85/70/627308570.db2.gz KFVKAQRENPEXNP-UHFFFAOYSA-N 0 0 283.375 3.137 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cn1ncsc1=S ZINC000766342601 627322508 /nfs/dbraw/zinc/32/25/08/627322508.db2.gz XSZOGAKQUFRPKQ-UHFFFAOYSA-N 0 0 293.417 3.093 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000768988163 627513789 /nfs/dbraw/zinc/51/37/89/627513789.db2.gz OUZSPUGYZWKGNE-TZMCWYRMSA-N 0 0 292.398 3.334 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000769189198 627530385 /nfs/dbraw/zinc/53/03/85/627530385.db2.gz QAKOMQQHQPZSIT-LBPRGKRZSA-N 0 0 298.333 3.112 20 10 CGCDRN CC(C)C[C@H]1COCCN1Cc1c(O)cccc1Cl ZINC000769397553 627548421 /nfs/dbraw/zinc/54/84/21/627548421.db2.gz FFAYYPBDLOLUSQ-LBPRGKRZSA-N 0 0 283.799 3.293 20 10 CGCDRN C[C@@H](Nc1cnn(C)c1C1CC1)c1ccccc1O ZINC000769990235 627595575 /nfs/dbraw/zinc/59/55/75/627595575.db2.gz QNMYPLJSUCFOOJ-SNVBAGLBSA-N 0 0 257.337 3.176 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC2(C)C)cc1 ZINC000771845699 627735623 /nfs/dbraw/zinc/73/56/23/627735623.db2.gz KNZOKZNSBWHQFT-OAHLLOKOSA-N 0 0 274.408 3.195 20 10 CGCDRN C[C@H](Nc1ncccc1F)c1ccc(N(C)C)cc1 ZINC000772301450 627782940 /nfs/dbraw/zinc/78/29/40/627782940.db2.gz VIQHQEXUPAIBIR-NSHDSACASA-N 0 0 259.328 3.460 20 10 CGCDRN COCc1cccc(CN2CCc3cc(OC)ccc32)c1 ZINC000772598170 627805720 /nfs/dbraw/zinc/80/57/20/627805720.db2.gz INEXJQPALVCMSF-UHFFFAOYSA-N 0 0 283.371 3.404 20 10 CGCDRN C[C@H](NC(=O)COc1ccccc1)c1ccc(N(C)C)cc1 ZINC000772993015 627838544 /nfs/dbraw/zinc/83/85/44/627838544.db2.gz DPIKLTPVEYNIFX-AWEZNQCLSA-N 0 0 298.386 3.009 20 10 CGCDRN C[C@@H](NC(=O)CCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000772996383 627839037 /nfs/dbraw/zinc/83/90/37/627839037.db2.gz DLSNDSDFCHMXSY-CYBMUJFWSA-N 0 0 286.375 3.156 20 10 CGCDRN C[C@H](NC(=O)CC1CCC1)c1ccc(N(C)C)cc1 ZINC000773010354 627841898 /nfs/dbraw/zinc/84/18/98/627841898.db2.gz OSJLRYMBATVTSY-LBPRGKRZSA-N 0 0 260.381 3.120 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773010341 627842148 /nfs/dbraw/zinc/84/21/48/627842148.db2.gz ONYSFIGSVCKATR-GFCCVEGCSA-N 0 0 272.348 3.145 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000773403893 627880513 /nfs/dbraw/zinc/88/05/13/627880513.db2.gz UFTFEDJFTVTNNB-NSHDSACASA-N 0 0 279.380 3.089 20 10 CGCDRN CCN(C)c1ccc(CN[C@@H](C)c2nnc(C)s2)cc1 ZINC000773843797 627920291 /nfs/dbraw/zinc/92/02/91/627920291.db2.gz FSOPCSNKXMCPOR-NSHDSACASA-N 0 0 290.436 3.153 20 10 CGCDRN CCC(C)(C)NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774251596 627968931 /nfs/dbraw/zinc/96/89/31/627968931.db2.gz SLRCAOLICFUFOJ-LBPRGKRZSA-N 0 0 293.480 3.466 20 10 CGCDRN CCc1noc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000774483176 627997323 /nfs/dbraw/zinc/99/73/23/627997323.db2.gz NEKITTWIRNJVAE-RYUDHWBXSA-N 0 0 288.395 3.110 20 10 CGCDRN COc1c([O-])c(C[NH2+]C(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000775037071 628055628 /nfs/dbraw/zinc/05/56/28/628055628.db2.gz KFROGDHYAVKMHK-UHFFFAOYSA-N 0 0 296.367 3.079 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccccc1O ZINC000775493326 628100307 /nfs/dbraw/zinc/10/03/07/628100307.db2.gz XQIMAWAISXBZAH-OAHLLOKOSA-N 0 0 285.391 3.094 20 10 CGCDRN C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775696368 628126681 /nfs/dbraw/zinc/12/66/81/628126681.db2.gz JDVPQASLTKCFFF-QMMMGPOBSA-N 0 0 275.776 3.122 20 10 CGCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775730004 628130210 /nfs/dbraw/zinc/13/02/10/628130210.db2.gz ATAJUSRGOGCMIY-CYBMUJFWSA-N 0 0 298.390 3.339 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000775735958 628131307 /nfs/dbraw/zinc/13/13/07/628131307.db2.gz HLMGTZQIYQRHSO-HZMBPMFUSA-N 0 0 299.773 3.186 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000775736726 628131556 /nfs/dbraw/zinc/13/15/56/628131556.db2.gz IVOHHIQOTBEROK-IUCAKERBSA-N 0 0 257.736 3.415 20 10 CGCDRN CC(C)[C@@H]1CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776239269 628183645 /nfs/dbraw/zinc/18/36/45/628183645.db2.gz OKWSNYUOQYLTOY-CJNGLKHVSA-N 0 0 289.423 3.254 20 10 CGCDRN Cc1nc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)cs1 ZINC000776257813 628186327 /nfs/dbraw/zinc/18/63/27/628186327.db2.gz HKXUIMSZFONHJP-LLVKDONJSA-N 0 0 294.401 3.196 20 10 CGCDRN COCCC1(CNC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000776294579 628189599 /nfs/dbraw/zinc/18/95/99/628189599.db2.gz CYTSBOCCVCJFKO-UHFFFAOYSA-N 0 0 297.420 3.171 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)c1ccccc1 ZINC000776645297 628224465 /nfs/dbraw/zinc/22/44/65/628224465.db2.gz MBQMASAOOUKLMR-GFCCVEGCSA-N 0 0 299.370 3.194 20 10 CGCDRN COc1cccc(O)c1CNc1cnn([C@H](C)C2CC2)c1 ZINC000778188880 628332536 /nfs/dbraw/zinc/33/25/36/628332536.db2.gz KABBLPPQUWPPLC-LLVKDONJSA-N 0 0 287.363 3.180 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2c(F)cc(F)cc2C1 ZINC000779029515 628384311 /nfs/dbraw/zinc/38/43/11/628384311.db2.gz HWTWROOXSOZTSQ-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN C[C@@H](N(C)C(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000779492307 628415569 /nfs/dbraw/zinc/41/55/69/628415569.db2.gz ITKCATZLFZVYNT-MXMFLMJRSA-N 0 0 277.364 3.004 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1O ZINC000779518152 628415855 /nfs/dbraw/zinc/41/58/55/628415855.db2.gz IRGDXEFBTIJSBG-UHFFFAOYSA-N 0 0 298.386 3.005 20 10 CGCDRN CC(C)[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779521193 628416357 /nfs/dbraw/zinc/41/63/57/628416357.db2.gz XJIVNNQENUGDER-IUCKJTJTSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1O ZINC000779521595 628416481 /nfs/dbraw/zinc/41/64/81/628416481.db2.gz YPPVWJAIWZSZRZ-UHFFFAOYSA-N 0 0 298.386 3.005 20 10 CGCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000779883081 628439960 /nfs/dbraw/zinc/43/99/60/628439960.db2.gz BNCFNRQSKOFYCC-UONOGXRCSA-N 0 0 288.435 3.367 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@H](C)C1 ZINC000780469293 628491703 /nfs/dbraw/zinc/49/17/03/628491703.db2.gz WAKKJSRKHHVSMN-WFASDCNBSA-N 0 0 289.423 3.049 20 10 CGCDRN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000780579017 628502196 /nfs/dbraw/zinc/50/21/96/628502196.db2.gz YJKSKVVPPCOAHX-KWQFWETISA-N 0 0 284.743 3.232 20 10 CGCDRN Cc1cc(CN(C)c2ccc3c(c2)OCO3)cnc1Cl ZINC000780778587 628516069 /nfs/dbraw/zinc/51/60/69/628516069.db2.gz NDYWEJVGTHAKOR-UHFFFAOYSA-N 0 0 290.750 3.409 20 10 CGCDRN COc1ccc(O)c(CN2CCc3cc(F)c(F)cc32)c1 ZINC000780897625 628522885 /nfs/dbraw/zinc/52/28/85/628522885.db2.gz YMCNHAFWWJSEPP-UHFFFAOYSA-N 0 0 291.297 3.242 20 10 CGCDRN Cc1ccc(C(=O)N(C)C[C@@H](C)c2ccccc2)c(O)c1O ZINC000780925208 628524374 /nfs/dbraw/zinc/52/43/74/628524374.db2.gz AXKQJHYDZFGDGH-CYBMUJFWSA-N 0 0 299.370 3.282 20 10 CGCDRN CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(O)c1O ZINC000780928661 628524447 /nfs/dbraw/zinc/52/44/47/628524447.db2.gz QAEZSWMSNBTGKV-CQSZACIVSA-N 0 0 299.370 3.157 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C)C2)c1 ZINC000781903361 628604366 /nfs/dbraw/zinc/60/43/66/628604366.db2.gz ZUMIRABOYSZDLY-VIFPVBQESA-N 0 0 284.197 3.305 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2C)c1 ZINC000781914467 628605027 /nfs/dbraw/zinc/60/50/27/628605027.db2.gz XQIFMQQBVJBDJT-JTQLQIEISA-N 0 0 284.197 3.447 20 10 CGCDRN Cc1ccc(C(=O)OCc2cc(F)cc(F)c2)c(O)c1O ZINC000782266260 628631638 /nfs/dbraw/zinc/63/16/38/628631638.db2.gz SDVNRGMQMZLYOZ-UHFFFAOYSA-N 0 0 294.253 3.041 20 10 CGCDRN CCCCCN(CCCOC)C(=O)C1=CC(=O)CS1 ZINC000782873272 628665335 /nfs/dbraw/zinc/66/53/35/628665335.db2.gz QYSLSLLHKOKROI-UHFFFAOYSA-N 0 0 285.409 3.123 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783306732 628702065 /nfs/dbraw/zinc/70/20/65/628702065.db2.gz MAZURNLXUMZCKO-VWYCJHECSA-N 0 0 264.325 3.140 20 10 CGCDRN O=C(OC[C@@H]1CCC2(CCCC2)O1)C1=CC(=O)CS1 ZINC000783608025 628731263 /nfs/dbraw/zinc/73/12/63/628731263.db2.gz MSYDMXSSLBZPRO-NSHDSACASA-N 0 0 282.361 3.102 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C\c2cnccc2C)c1 ZINC000783958463 628760366 /nfs/dbraw/zinc/76/03/66/628760366.db2.gz SVNWUXOKUREMIC-FPLPWBNLSA-N 0 0 266.344 3.375 20 10 CGCDRN COc1cccc([C@@H](C)OC(=O)c2cccc(O)c2O)c1 ZINC000784786628 628833052 /nfs/dbraw/zinc/83/30/52/628833052.db2.gz DVQGEMRSFWNIOD-SNVBAGLBSA-N 0 0 288.299 3.024 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cccc(O)c2)cc1 ZINC000785754366 628884991 /nfs/dbraw/zinc/88/49/91/628884991.db2.gz AKLKRNHQVUJPSY-UHFFFAOYSA-N 0 0 256.349 3.095 20 10 CGCDRN CC[C@]1(C)CN(Cc2c(O)cccc2Cl)CCO1 ZINC000785984457 628904416 /nfs/dbraw/zinc/90/44/16/628904416.db2.gz FHDJRNSNZJSWMX-CQSZACIVSA-N 0 0 269.772 3.047 20 10 CGCDRN COC(=O)CCc1cccc(NCc2ccccc2O)c1 ZINC000786577942 628949355 /nfs/dbraw/zinc/94/93/55/628949355.db2.gz UAKGAOXKNBRGTA-UHFFFAOYSA-N 0 0 285.343 3.110 20 10 CGCDRN CO[C@H](CC[NH2+]Cc1cccc(Cl)c1[O-])C(F)(F)F ZINC000787418419 629011407 /nfs/dbraw/zinc/01/14/07/629011407.db2.gz UNYZMMHNPCPBRI-SNVBAGLBSA-N 0 0 297.704 3.103 20 10 CGCDRN CC(C)c1ccc(CCNC(=O)c2cccc(O)c2O)cc1 ZINC000790466250 629212525 /nfs/dbraw/zinc/21/25/25/629212525.db2.gz MSMAXLISOZBQPI-UHFFFAOYSA-N 0 0 299.370 3.194 20 10 CGCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@H]1c1ccccc1 ZINC000790572397 629218378 /nfs/dbraw/zinc/21/83/78/629218378.db2.gz JIWQNLBVAMNVPS-INIZCTEOSA-N 0 0 297.354 3.321 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875692580 634723648 /nfs/dbraw/zinc/72/36/48/634723648.db2.gz MTHNUENNUDDCON-GXTWGEPZSA-N 0 0 288.391 3.242 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000792169948 629343460 /nfs/dbraw/zinc/34/34/60/629343460.db2.gz NTECQAKNQLJWIB-JTQLQIEISA-N 0 0 269.747 3.417 20 10 CGCDRN CCN(Cc1cc(C)ccn1)c1ccc(OC)cc1 ZINC000792247552 629352416 /nfs/dbraw/zinc/35/24/16/629352416.db2.gz PKHYUJRLAPIEQB-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCc2cc(Cl)ccc2C1 ZINC000792486067 629362506 /nfs/dbraw/zinc/36/25/06/629362506.db2.gz OJORJSBLZZHLRZ-UHFFFAOYSA-N 0 0 293.775 3.306 20 10 CGCDRN Cc1ccc(C(=O)N(C)c2ccc3cc[nH]c3c2)c(O)c1O ZINC000792580914 629368651 /nfs/dbraw/zinc/36/86/51/629368651.db2.gz VJGLSRSITUOXNF-UHFFFAOYSA-N 0 0 296.326 3.164 20 10 CGCDRN CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000862540047 629396375 /nfs/dbraw/zinc/39/63/75/629396375.db2.gz XZWXGTNNAHIZBO-UHFFFAOYSA-N 0 0 289.778 3.168 20 10 CGCDRN COC(=O)C(C)(C)CCN(C)c1ccc(OC(C)C)cc1 ZINC000793188015 629425106 /nfs/dbraw/zinc/42/51/06/629425106.db2.gz ZUBCXEFOAQTMAW-UHFFFAOYSA-N 0 0 293.407 3.499 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2=CC[C@H](C)CC2)c1 ZINC000862754659 629429232 /nfs/dbraw/zinc/42/92/32/629429232.db2.gz IFAIACRRGATROI-NSHDSACASA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC(F)(F)C2)c1 ZINC000862756115 629429844 /nfs/dbraw/zinc/42/98/44/629429844.db2.gz QMXREZCCQOKSHP-NSHDSACASA-N 0 0 283.318 3.142 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2OC2CC2)c1 ZINC000862756407 629429893 /nfs/dbraw/zinc/42/98/93/629429893.db2.gz XKWKLTQRSVFKPT-UHFFFAOYSA-N 0 0 297.354 3.172 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@]2(C)CCC[C@@H]2C)c1 ZINC000862755796 629430104 /nfs/dbraw/zinc/43/01/04/629430104.db2.gz YNVZCTBKDFJXOW-BLLLJJGKSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc([C@@H](C)C(=O)NCc2cc(C)ccc2O)o1 ZINC000862759827 629430845 /nfs/dbraw/zinc/43/08/45/629430845.db2.gz JBRMPWDFCTVRAS-GFCCVEGCSA-N 0 0 273.332 3.022 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)COc2ccccc2)c1 ZINC000862758407 629430949 /nfs/dbraw/zinc/43/09/49/629430949.db2.gz XXRNDEKPAMKKNQ-AWEZNQCLSA-N 0 0 299.370 3.032 20 10 CGCDRN CCS[C@@H](C(=O)NCc1cc(C)ccc1O)C(C)C ZINC000862758528 629431103 /nfs/dbraw/zinc/43/11/03/629431103.db2.gz BTZGYPMLYMDYST-CQSZACIVSA-N 0 0 281.421 3.095 20 10 CGCDRN CCc1cc(C)c(C(=O)NCc2cc(C)ccc2O)o1 ZINC000862757768 629431107 /nfs/dbraw/zinc/43/11/07/629431107.db2.gz DOYZXRKYCATSOF-UHFFFAOYSA-N 0 0 273.332 3.094 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccnc1F ZINC000793290777 629440524 /nfs/dbraw/zinc/44/05/24/629440524.db2.gz YFOXMYKHGFBBOT-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN COc1cccc(O)c1C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000793357081 629447401 /nfs/dbraw/zinc/44/74/01/629447401.db2.gz LUDPFPNVPDYUJU-LBPRGKRZSA-N 0 0 263.381 3.411 20 10 CGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCC(C)(C)C1 ZINC000794274662 629528420 /nfs/dbraw/zinc/52/84/20/629528420.db2.gz MJMDQKIJGVQXCZ-IYNGYCSASA-N 0 0 289.375 3.148 20 10 CGCDRN COc1ccc(CNC(=O)C(C)(C)CC(C)C)c(O)c1 ZINC000794381076 629538277 /nfs/dbraw/zinc/53/82/77/629538277.db2.gz KBYFNVZRKUBXHH-UHFFFAOYSA-N 0 0 279.380 3.089 20 10 CGCDRN Cn1nc(CSc2ncc(Cl)s2)cc1Cl ZINC000863347321 629542893 /nfs/dbraw/zinc/54/28/93/629542893.db2.gz DJNFOIXTFQXCOG-UHFFFAOYSA-N 0 0 280.205 3.476 20 10 CGCDRN O=C1NC(=S)S/C1=C/c1ccc(C(F)F)cc1 ZINC000794866968 629591699 /nfs/dbraw/zinc/59/16/99/629591699.db2.gz RMLGZPVKPISNRM-VMPITWQZSA-N 0 0 271.313 3.113 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CC(C)(C)C(F)(F)F ZINC000794962622 629607738 /nfs/dbraw/zinc/60/77/38/629607738.db2.gz SFGKQDLEHYLCFU-UHFFFAOYSA-N 0 0 289.297 3.329 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCC1 ZINC000119623545 629669276 /nfs/dbraw/zinc/66/92/76/629669276.db2.gz VCOJXDQVWLLGSV-SECBINFHSA-N 0 0 284.197 3.433 20 10 CGCDRN C[NH+](C)Cc1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864019790 629729670 /nfs/dbraw/zinc/72/96/70/629729670.db2.gz RIXNFWISHMQPDI-UHFFFAOYSA-N 0 0 292.329 3.344 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3cn[nH]c3c2)cc1F ZINC000864043649 629737049 /nfs/dbraw/zinc/73/70/49/629737049.db2.gz SGXLZMSOAAOQKT-UHFFFAOYSA-N 0 0 284.338 3.380 20 10 CGCDRN CC[C@@H](Nc1cnn(C)c1C)c1ccc(F)cc1O ZINC000796901558 629856704 /nfs/dbraw/zinc/85/67/04/629856704.db2.gz XKPKEUAZSAABJL-GFCCVEGCSA-N 0 0 263.316 3.136 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(F)cc1[O-] ZINC000796952223 629864437 /nfs/dbraw/zinc/86/44/37/629864437.db2.gz XRQVKAQNIJPUFR-JSGCOSHPSA-N 0 0 265.328 3.265 20 10 CGCDRN CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000798248093 630041586 /nfs/dbraw/zinc/04/15/86/630041586.db2.gz OSNYLGRJVHTKAN-GFCCVEGCSA-N 0 0 271.382 3.021 20 10 CGCDRN CCCCN(C(=O)/C=C(\C)c1cnccn1)c1ccccn1 ZINC000876081307 634783356 /nfs/dbraw/zinc/78/33/56/634783356.db2.gz BNNJNXFDFCGZAZ-WYMLVPIESA-N 0 0 296.374 3.108 20 10 CGCDRN CCC(C)(C)N(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000798425106 630055826 /nfs/dbraw/zinc/05/58/26/630055826.db2.gz YCAWHXLDAPRMLQ-UHFFFAOYSA-N 0 0 291.439 3.425 20 10 CGCDRN Oc1ccc(Cl)c(F)c1CNc1cncc(F)c1 ZINC000798430237 630056175 /nfs/dbraw/zinc/05/61/75/630056175.db2.gz IGABAZFEIGWTSS-UHFFFAOYSA-N 0 0 270.666 3.331 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798937723 630127585 /nfs/dbraw/zinc/12/75/85/630127585.db2.gz OZLWJOAAWCFYJU-SRVKXCTJSA-N 0 0 278.352 3.387 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000798965434 630132296 /nfs/dbraw/zinc/13/22/96/630132296.db2.gz XOEKKGDMBUPLMZ-LBPRGKRZSA-N 0 0 287.762 3.186 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc(F)nc2)c2cc(Cl)ccc21 ZINC000799502306 630192852 /nfs/dbraw/zinc/19/28/52/630192852.db2.gz ZJQRFGCCJIJROS-SDQBBNPISA-N 0 0 288.709 3.391 20 10 CGCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccsc1 ZINC000801441332 630335263 /nfs/dbraw/zinc/33/52/63/630335263.db2.gz YSSQPYCHSWWFST-TZGMSPROSA-N 0 0 289.356 3.050 20 10 CGCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccsc1 ZINC000801441329 630335514 /nfs/dbraw/zinc/33/55/14/630335514.db2.gz YSSQPYCHSWWFST-ATPLWMGHSA-N 0 0 289.356 3.050 20 10 CGCDRN COc1ccc(CNC(=O)c2sccc2Cl)c(O)c1 ZINC000803292647 630462439 /nfs/dbraw/zinc/46/24/39/630462439.db2.gz VGRPJCUCZVZNHZ-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CCc1nc(C)cc(NCc2ccc(N(C)C)cc2C)n1 ZINC000804460202 630529578 /nfs/dbraw/zinc/52/95/78/630529578.db2.gz IGOCGLMQJKKKLS-UHFFFAOYSA-N 0 0 284.407 3.334 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCC[C@@H]1C=CCC1 ZINC000876342058 634820400 /nfs/dbraw/zinc/82/04/00/634820400.db2.gz QZHCBOSXIPJSEF-CQSZACIVSA-N 0 0 288.391 3.280 20 10 CGCDRN CC[C@H]([NH2+]CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129207 630545473 /nfs/dbraw/zinc/54/54/73/630545473.db2.gz UAFITOIFSARMDU-NSHDSACASA-N 0 0 278.179 3.386 20 10 CGCDRN CC[C@@H](CCO)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806144950 630548350 /nfs/dbraw/zinc/54/83/50/630548350.db2.gz YQOMRCIBMDLGSX-FZMZJTMJSA-N 0 0 285.815 3.495 20 10 CGCDRN CC[C@H]([NH2+]CC1(CCO)CC1)c1cccc(Cl)c1[O-] ZINC000806162200 630551953 /nfs/dbraw/zinc/55/19/53/630551953.db2.gz YIYSFQMREDLEDQ-ZDUSSCGKSA-N 0 0 283.799 3.249 20 10 CGCDRN C[C@H]([NH2+]CCC1(F)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806173133 630553115 /nfs/dbraw/zinc/55/31/15/630553115.db2.gz GHVTZQNXSACBSY-JTQLQIEISA-N 0 0 282.315 3.233 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1OC1CC1 ZINC000806499171 630563984 /nfs/dbraw/zinc/56/39/84/630563984.db2.gz CPKLPKBUHANFDV-UHFFFAOYSA-N 0 0 297.354 3.206 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000807274240 630587341 /nfs/dbraw/zinc/58/73/41/630587341.db2.gz MKZWSZBBDODPQF-GFCCVEGCSA-N 0 0 274.408 3.366 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H]1C ZINC000807555443 630592750 /nfs/dbraw/zinc/59/27/50/630592750.db2.gz ASHGIRFAMRVFJM-JSGCOSHPSA-N 0 0 276.380 3.112 20 10 CGCDRN C[C@]1(F)CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840101959 630593083 /nfs/dbraw/zinc/59/30/83/630593083.db2.gz XUISDJJLJROSGO-INIZCTEOSA-N 0 0 274.339 3.264 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1Cc2cccc(Cl)c2C1 ZINC000807816012 630599879 /nfs/dbraw/zinc/59/98/79/630599879.db2.gz WBEUAEDTEWQHKY-UHFFFAOYSA-N 0 0 279.748 3.263 20 10 CGCDRN CCC(C)(C)C1CCC(CC(=O)OCC(=O)C(C)=O)CC1 ZINC000808546934 630656164 /nfs/dbraw/zinc/65/61/64/630656164.db2.gz CQZGYEPVZAGYLH-UHFFFAOYSA-N 0 0 296.407 3.320 20 10 CGCDRN Cc1cccc(CN2CCC(=O)N(C)c3ccccc32)c1O ZINC000809786280 630808731 /nfs/dbraw/zinc/80/87/31/630808731.db2.gz WNTFWTULUNMYDT-UHFFFAOYSA-N 0 0 296.370 3.074 20 10 CGCDRN O=C1OCc2c1cccc2NCc1cccc(Cl)c1O ZINC000809792085 630811580 /nfs/dbraw/zinc/81/15/80/630811580.db2.gz HHLRBBRMQYKUDM-UHFFFAOYSA-N 0 0 289.718 3.328 20 10 CGCDRN CC(=O)Nc1cccc(COc2ccc(N(C)C)cc2)c1 ZINC000810001332 630826214 /nfs/dbraw/zinc/82/62/14/630826214.db2.gz BPSCSLOHSUSFDR-UHFFFAOYSA-N 0 0 284.359 3.290 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(F)CCCCC1 ZINC000810410888 630874217 /nfs/dbraw/zinc/87/42/17/630874217.db2.gz FPEVXXLWKCRTQL-UHFFFAOYSA-N 0 0 292.398 3.350 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cc(F)cc(F)c1[O-] ZINC000842892409 635505232 /nfs/dbraw/zinc/50/52/32/635505232.db2.gz CSXJBMXJTKSKLP-JTQLQIEISA-N 0 0 293.313 3.014 20 10 CGCDRN O=[N+]([O-])c1ccc(NCc2c(O)ccc3c2CCCC3)cn1 ZINC000811808696 631121646 /nfs/dbraw/zinc/12/16/46/631121646.db2.gz OXNXRYUSSYMDFP-UHFFFAOYSA-N 0 0 299.330 3.186 20 10 CGCDRN CCCN(CCC)c1ccc(C[NH2+][C@H](C)CC(=O)[O-])cc1 ZINC000813354808 631415422 /nfs/dbraw/zinc/41/54/22/631415422.db2.gz GGSSFCYFDKZZHU-CQSZACIVSA-N 0 0 292.423 3.266 20 10 CGCDRN Cc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)s1 ZINC000814285357 631567988 /nfs/dbraw/zinc/56/79/88/631567988.db2.gz SJMKGBAWROPGHG-UXBLZVDNSA-N 0 0 281.427 3.420 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCCO1 ZINC000816496018 631993565 /nfs/dbraw/zinc/99/35/65/631993565.db2.gz SNCQIGFPJAULIZ-LLVKDONJSA-N 0 0 287.762 3.186 20 10 CGCDRN CC(C)(C)OCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816543723 632007121 /nfs/dbraw/zinc/00/71/21/632007121.db2.gz LWRDLXYIECRRBE-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN CCN(CC)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548907 632008644 /nfs/dbraw/zinc/00/86/44/632008644.db2.gz XCOFKZCVFFBSCA-SNVBAGLBSA-N 0 0 288.794 3.005 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccncc1 ZINC000816554511 632010021 /nfs/dbraw/zinc/01/00/21/632010021.db2.gz AMWYYXVTBGRXHB-JTQLQIEISA-N 0 0 294.757 3.473 20 10 CGCDRN CN(Cc1cccc(O)c1Cl)c1ccc2c(c1)OCO2 ZINC000816566124 632014358 /nfs/dbraw/zinc/01/43/58/632014358.db2.gz LWMSNLZUCPQCQQ-UHFFFAOYSA-N 0 0 291.734 3.411 20 10 CGCDRN CCC(CC)(CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816600595 632021409 /nfs/dbraw/zinc/02/14/09/632021409.db2.gz CDIKATSPMCUFSR-UHFFFAOYSA-N 0 0 289.778 3.216 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3ncccn3)cc12 ZINC000817379865 632134851 /nfs/dbraw/zinc/13/48/51/632134851.db2.gz FIUYARDGCLEJNJ-UHFFFAOYSA-N 0 0 267.332 3.164 20 10 CGCDRN C[C@@H](O)CCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817382267 632134929 /nfs/dbraw/zinc/13/49/29/632134929.db2.gz SONVUCPLMUEDBR-GFCCVEGCSA-N 0 0 283.799 3.480 20 10 CGCDRN Cc1cc(C)c(CC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000818545221 632331995 /nfs/dbraw/zinc/33/19/95/632331995.db2.gz QBXWNGHSASDMJV-UHFFFAOYSA-N 0 0 296.414 3.095 20 10 CGCDRN Nc1ccc(CCNC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000818544755 632332497 /nfs/dbraw/zinc/33/24/97/632332497.db2.gz MODLLPSODBTWRR-INIZCTEOSA-N 0 0 294.398 3.048 20 10 CGCDRN COc1ccc(C2(C(=O)Nc3ccc(N)cc3)CCC2)cc1 ZINC000818557066 632334341 /nfs/dbraw/zinc/33/43/41/632334341.db2.gz FJHMIMHPXZJXTR-UHFFFAOYSA-N 0 0 296.370 3.338 20 10 CGCDRN CC(C)COC[C@@H](O)CNc1ccccc1OCC(C)C ZINC000819416781 632454732 /nfs/dbraw/zinc/45/47/32/632454732.db2.gz RLAALVOVZZKJBU-HNNXBMFYSA-N 0 0 295.423 3.167 20 10 CGCDRN CC1(C)CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821843428 632833237 /nfs/dbraw/zinc/83/32/37/632833237.db2.gz RLQFBQJKYOSDMT-MRXNPFEDSA-N 0 0 286.419 3.339 20 10 CGCDRN C[C@H]1CCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822051016 632860140 /nfs/dbraw/zinc/86/01/40/632860140.db2.gz QKQBBXXXJSOWLC-NSHDSACASA-N 0 0 288.351 3.111 20 10 CGCDRN CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822072490 632862844 /nfs/dbraw/zinc/86/28/44/632862844.db2.gz IYVCDPAGDXMYFR-GWCFXTLKSA-N 0 0 288.351 3.110 20 10 CGCDRN COc1cccc(CN[C@H](CF)c2ccc(F)cc2)c1O ZINC000865822447 632901933 /nfs/dbraw/zinc/90/19/33/632901933.db2.gz HHULRIJSMRMEER-CQSZACIVSA-N 0 0 293.313 3.340 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(N3CCCC3)cn2)c1 ZINC000822490570 632946198 /nfs/dbraw/zinc/94/61/98/632946198.db2.gz XKXWRQCORBOUBZ-UHFFFAOYSA-N 0 0 299.374 3.008 20 10 CGCDRN C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822670952 633003032 /nfs/dbraw/zinc/00/30/32/633003032.db2.gz BRYMZLPQLDCDHW-CMPLNLGQSA-N 0 0 288.351 3.015 20 10 CGCDRN CCc1nc(Cl)c(C)c(N2Cc3cccc(O)c3C2)n1 ZINC000866117154 633004177 /nfs/dbraw/zinc/00/41/77/633004177.db2.gz GYLMSHVSMDRYCP-UHFFFAOYSA-N 0 0 289.766 3.227 20 10 CGCDRN F[C@H]1COc2ccccc2[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000866251872 633045888 /nfs/dbraw/zinc/04/58/88/633045888.db2.gz BWJISJDPTCWFAA-YJBOKZPZSA-N 0 0 299.345 3.183 20 10 CGCDRN C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000823793525 633152618 /nfs/dbraw/zinc/15/26/18/633152618.db2.gz HYUIAPRCKRSXJR-GHMZBOCLSA-N 0 0 288.351 3.110 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(F)cc1[O-] ZINC000866538536 633181446 /nfs/dbraw/zinc/18/14/46/633181446.db2.gz SPMUDIKJKAQEGP-RBOXIYTFSA-N 0 0 293.382 3.245 20 10 CGCDRN COC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC000824445681 633246884 /nfs/dbraw/zinc/24/68/84/633246884.db2.gz KHPVHGTWZNOKSC-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN CCC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000824544428 633257714 /nfs/dbraw/zinc/25/77/14/633257714.db2.gz XPOQEGUTNQNAIW-NSHDSACASA-N 0 0 275.751 3.089 20 10 CGCDRN CCCCOCCN(C)c1ccc(OC)c(F)c1 ZINC000121767245 633261748 /nfs/dbraw/zinc/26/17/48/633261748.db2.gz PUJUUOZREWDING-UHFFFAOYSA-N 0 0 255.333 3.087 20 10 CGCDRN CC/C=C/C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000824702361 633276088 /nfs/dbraw/zinc/27/60/88/633276088.db2.gz LYQUYAFUSFFXSH-ONEGZZNKSA-N 0 0 270.716 3.010 20 10 CGCDRN Cc1cccnc1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824794245 633291489 /nfs/dbraw/zinc/29/14/89/633291489.db2.gz BTRKAUGWIBIYMG-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1conc1C ZINC000868109805 633296037 /nfs/dbraw/zinc/29/60/37/633296037.db2.gz KHSMCRVRNSTZAW-UHFFFAOYSA-N 0 0 288.347 3.131 20 10 CGCDRN CC[C@@H](N[C@H](C(=O)OC(C)C)C(C)C)c1ccccc1O ZINC000824846417 633300259 /nfs/dbraw/zinc/30/02/59/633300259.db2.gz RQSSVCHHYZEGEB-ZBFHGGJFSA-N 0 0 293.407 3.409 20 10 CGCDRN CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000824845621 633300378 /nfs/dbraw/zinc/30/03/78/633300378.db2.gz MORRGNCGLVPEIQ-HIFRSBDPSA-N 0 0 299.842 3.424 20 10 CGCDRN CCCc1ncc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000825085664 633326748 /nfs/dbraw/zinc/32/67/48/633326748.db2.gz MFKRLPWWFAJTIY-UHFFFAOYSA-N 0 0 291.370 3.122 20 10 CGCDRN CO[C@H]([C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000825098442 633328606 /nfs/dbraw/zinc/32/86/06/633328606.db2.gz IRBIRFOBFCIKAM-RMLUDKJBSA-N 0 0 287.762 3.088 20 10 CGCDRN C[C@@H](NC(=O)NCC1CC(C)(C)C1)c1ccccc1O ZINC000868525638 633332552 /nfs/dbraw/zinc/33/25/52/633332552.db2.gz BCANDVVYEHAHAT-LLVKDONJSA-N 0 0 276.380 3.189 20 10 CGCDRN CSC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000868554077 633336238 /nfs/dbraw/zinc/33/62/38/633336238.db2.gz MSXZCSUQMSQCQZ-NSHDSACASA-N 0 0 294.420 3.038 20 10 CGCDRN COC(=O)[C@H](NCc1cc(Cl)c(C)cc1O)C(C)(C)C ZINC000825451149 633355031 /nfs/dbraw/zinc/35/50/31/633355031.db2.gz QQMVUOVHEPGJNW-ZDUSSCGKSA-N 0 0 299.798 3.031 20 10 CGCDRN CCCn1nccc1CN1CCCc2cc(OC)ccc21 ZINC000825461102 633356061 /nfs/dbraw/zinc/35/60/61/633356061.db2.gz DYQISLFLEGQWSH-UHFFFAOYSA-N 0 0 285.391 3.255 20 10 CGCDRN CC[C@H](C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868765803 633359529 /nfs/dbraw/zinc/35/95/29/633359529.db2.gz JIAXUSQZSJHMME-RYUDHWBXSA-N 0 0 264.369 3.189 20 10 CGCDRN C/C(=C\C(=O)N1CC(C)(C)c2ccccc21)c1cnccn1 ZINC000827035577 633450455 /nfs/dbraw/zinc/45/04/55/633450455.db2.gz QRDMZVZBLAPFFX-JLHYYAGUSA-N 0 0 293.370 3.204 20 10 CGCDRN CCC[C@@H](CC(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000827317292 633480778 /nfs/dbraw/zinc/48/07/78/633480778.db2.gz RKDUHGIKCFFUQK-ZDUSSCGKSA-N 0 0 279.380 3.176 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ncc(C(F)F)cn1 ZINC000827636455 633506201 /nfs/dbraw/zinc/50/62/01/633506201.db2.gz SZYIRZSXZPLVEO-UHFFFAOYSA-N 0 0 292.333 3.401 20 10 CGCDRN Cc1noc(C(F)F)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827937152 633536593 /nfs/dbraw/zinc/53/65/93/633536593.db2.gz MBXRHOSUMJTXBU-SSDOTTSWSA-N 0 0 296.273 3.117 20 10 CGCDRN C[C@@H](NC(=O)C1(c2cccc(F)c2)CC1)c1ccccc1O ZINC000827936732 633536847 /nfs/dbraw/zinc/53/68/47/633536847.db2.gz BJMIOCKCAYVLCZ-GFCCVEGCSA-N 0 0 299.345 3.440 20 10 CGCDRN CC(C)c1cccc(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827937102 633536893 /nfs/dbraw/zinc/53/68/93/633536893.db2.gz KLSLOGPXPOXNSK-GFCCVEGCSA-N 0 0 284.359 3.402 20 10 CGCDRN CC(C)c1ccc(C(=O)N[C@H](C)c2ccccc2O)nc1 ZINC000827946545 633538261 /nfs/dbraw/zinc/53/82/61/633538261.db2.gz LMOJKVLNTGDKJZ-GFCCVEGCSA-N 0 0 284.359 3.402 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000827952352 633538968 /nfs/dbraw/zinc/53/89/68/633538968.db2.gz OWYPJHHEWXVYHX-YNEHKIRRSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1O ZINC000827952128 633539108 /nfs/dbraw/zinc/53/91/08/633539108.db2.gz GXWUFRQRQMOLTL-DDTOSNHZSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)c1ccco1 ZINC000827955958 633539719 /nfs/dbraw/zinc/53/97/19/633539719.db2.gz HYJZVBMKRUELIJ-RYUDHWBXSA-N 0 0 273.332 3.356 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)c(C2CC2)n1 ZINC000827952582 633539917 /nfs/dbraw/zinc/53/99/17/633539917.db2.gz XXKHXPDCMCYFQZ-GFCCVEGCSA-N 0 0 296.370 3.464 20 10 CGCDRN C[C@H](NC(=O)C1CC2(CCC2)C1)c1ccccc1O ZINC000827960419 633541227 /nfs/dbraw/zinc/54/12/27/633541227.db2.gz OVQFUKPWBCEGEX-NSHDSACASA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@H](NC(=O)C1(F)CCCCC1)c1ccccc1O ZINC000827963814 633541526 /nfs/dbraw/zinc/54/15/26/633541526.db2.gz BDFLDHMQRGFYGE-NSHDSACASA-N 0 0 265.328 3.242 20 10 CGCDRN CCC1=C(C(=O)N[C@@H](C)c2ccccc2O)CCCO1 ZINC000827969550 633542646 /nfs/dbraw/zinc/54/26/46/633542646.db2.gz ORCAUSSUAXZCTP-NSHDSACASA-N 0 0 275.348 3.044 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC2(CCSCC2)CC1 ZINC000870251570 633547477 /nfs/dbraw/zinc/54/74/77/633547477.db2.gz SSRHGPZUAIHBRU-UHFFFAOYSA-N 0 0 297.445 3.203 20 10 CGCDRN Oc1ccccc1C[N@@H+](CC1=CCCC1)C[C@H]1CCCO1 ZINC000828062716 633555450 /nfs/dbraw/zinc/55/54/50/633555450.db2.gz QCFSIXCSBTUEGY-QGZVFWFLSA-N 0 0 287.403 3.484 20 10 CGCDRN CN(C)c1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000018165303 633569879 /nfs/dbraw/zinc/56/98/79/633569879.db2.gz QNHAITQNJOLQMF-UHFFFAOYSA-N 0 0 285.416 3.239 20 10 CGCDRN CC(C)=C[C@H]1[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC000871198628 633722188 /nfs/dbraw/zinc/72/21/88/633722188.db2.gz LFGROYBIIJYMAF-HOCLYGCPSA-N 0 0 285.387 3.473 20 10 CGCDRN CCC[C@](C)(CC)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204372 633724625 /nfs/dbraw/zinc/72/46/25/633724625.db2.gz DECAHWFPSQBKSW-INIZCTEOSA-N 0 0 261.365 3.451 20 10 CGCDRN O=C([C@H]1CC2CCC1CC2)N1Cc2cccc(O)c2C1 ZINC000871204964 633725125 /nfs/dbraw/zinc/72/51/25/633725125.db2.gz MXWCXNYZCQBOKN-YIZWMMSDSA-N 0 0 271.360 3.061 20 10 CGCDRN C[C@H]1CCC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204920 633725505 /nfs/dbraw/zinc/72/55/05/633725505.db2.gz SNCULVUHYGJFHX-NWDGAFQWSA-N 0 0 259.349 3.061 20 10 CGCDRN Cc1ccccc1C[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207690 633726712 /nfs/dbraw/zinc/72/67/12/633726712.db2.gz QWYZAJSBSPKHBO-CQSZACIVSA-N 0 0 295.382 3.422 20 10 CGCDRN CCCOc1ccc(C=C2SC(=S)NC2=O)cc1C ZINC000871598210 633800465 /nfs/dbraw/zinc/80/04/65/633800465.db2.gz IVBWMEFLBNLEJN-XYOKQWHBSA-N 0 0 293.413 3.273 20 10 CGCDRN CO[C@H]1C[C@@H](COc2ccc(N3CCCC3)cc2)C1 ZINC000871736345 633847259 /nfs/dbraw/zinc/84/72/59/633847259.db2.gz HUERSVBPHNYUDI-AKAXFMLLSA-N 0 0 261.365 3.091 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)OC2CCCC2)c1 ZINC000830623651 633874861 /nfs/dbraw/zinc/87/48/61/633874861.db2.gz XKGXERSSORRBMG-JTQLQIEISA-N 0 0 279.336 3.131 20 10 CGCDRN CC(C)CC[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000831406031 633953092 /nfs/dbraw/zinc/95/30/92/633953092.db2.gz FWRYOUWBPXDLRE-MRXNPFEDSA-N 0 0 274.408 3.239 20 10 CGCDRN Nc1ccc(Cc2noc([C@@]34C[C@@H]3CCCC4)n2)cc1 ZINC000872171123 634076180 /nfs/dbraw/zinc/07/61/80/634076180.db2.gz PLJYGEWYMAHBBZ-LRDDRELGSA-N 0 0 269.348 3.074 20 10 CGCDRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)C1=CC(=O)CS1 ZINC000832899291 634104134 /nfs/dbraw/zinc/10/41/34/634104134.db2.gz SNBROTHQDZRBHR-LLVKDONJSA-N 0 0 289.356 3.210 20 10 CGCDRN CCN(CC)c1ccc(CNc2nc3n(n2)CCCC3)cc1 ZINC000834482665 634172419 /nfs/dbraw/zinc/17/24/19/634172419.db2.gz OUMNIECIRFJAGD-UHFFFAOYSA-N 0 0 299.422 3.073 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1cccc3c1OCO3)CC2 ZINC000834759472 634237473 /nfs/dbraw/zinc/23/74/73/634237473.db2.gz CSBYVHANNKFELL-LLVKDONJSA-N 0 0 269.300 3.220 20 10 CGCDRN CCc1cc(NC/C=C/c2ccc(N(C)C)cc2)n(C)n1 ZINC000835044314 634331440 /nfs/dbraw/zinc/33/14/40/634331440.db2.gz JELVZMXJQJGYTM-VOTSOKGWSA-N 0 0 284.407 3.174 20 10 CGCDRN Nc1ccc(CNC(=O)c2ccccc2OC2CCC2)cc1 ZINC000837303027 634881729 /nfs/dbraw/zinc/88/17/29/634881729.db2.gz QQJPXYOIQFNZLG-UHFFFAOYSA-N 0 0 296.370 3.130 20 10 CGCDRN Cc1cccc(O)c1CNc1ccccc1O[C@@H]1CCOC1 ZINC000876829480 634910890 /nfs/dbraw/zinc/91/08/90/634910890.db2.gz JUJHEZFKBFEGLY-CQSZACIVSA-N 0 0 299.370 3.480 20 10 CGCDRN Cc1ccc(CNc2ccccc2O[C@@H]2CCOC2)c(O)c1 ZINC000876829720 634911284 /nfs/dbraw/zinc/91/12/84/634911284.db2.gz QDRVWCBGNBIBLZ-OAHLLOKOSA-N 0 0 299.370 3.480 20 10 CGCDRN CC(C)c1cccc(CC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000837484100 634917625 /nfs/dbraw/zinc/91/76/25/634917625.db2.gz FFFPYAUSZKANJI-UHFFFAOYSA-N 0 0 299.370 3.080 20 10 CGCDRN COc1cccc(CNC(=O)C2CC(C(C)(C)C)C2)c1O ZINC000837483424 634917765 /nfs/dbraw/zinc/91/77/65/634917765.db2.gz AHQXLJCKBMALIF-UHFFFAOYSA-N 0 0 291.391 3.089 20 10 CGCDRN CC1(C)CCC[C@H]1CCNC(=O)Cc1ccc(N)cc1 ZINC000876987807 634944721 /nfs/dbraw/zinc/94/47/21/634944721.db2.gz JPBHMIBJIMWRQR-AWEZNQCLSA-N 0 0 274.408 3.144 20 10 CGCDRN CN(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccc(N)cc1 ZINC000877074818 634972291 /nfs/dbraw/zinc/97/22/91/634972291.db2.gz SMAWBZBJWZOQLT-ZFWWWQNUSA-N 0 0 294.345 3.447 20 10 CGCDRN CC(C)=C[C@H]1[C@H](C(=O)N(C)c2ccc(N)cc2)C1(C)C ZINC000877080442 634976493 /nfs/dbraw/zinc/97/64/93/634976493.db2.gz IWOLDIVTYMEURK-LSDHHAIUSA-N 0 0 272.392 3.470 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ns2)cc1F ZINC000877181103 635008849 /nfs/dbraw/zinc/00/88/49/635008849.db2.gz HQYDHIKIMJSWKZ-UHFFFAOYSA-N 0 0 266.341 3.236 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\C1CC1 ZINC000840555865 635022563 /nfs/dbraw/zinc/02/25/63/635022563.db2.gz JKMNKKRFLLJZTI-JKEYDSJLSA-N 0 0 286.419 3.074 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/C1CC1 ZINC000840555867 635022692 /nfs/dbraw/zinc/02/26/92/635022692.db2.gz JKMNKKRFLLJZTI-RNVIBTMRSA-N 0 0 286.419 3.074 20 10 CGCDRN CO[C@@H]1Cc2ccc(NCc3ccc(C)cc3O)cc2C1 ZINC000877306468 635022812 /nfs/dbraw/zinc/02/28/12/635022812.db2.gz RRKQMRKWVZVFAD-QGZVFWFLSA-N 0 0 283.371 3.426 20 10 CGCDRN COc1ccc(N(C)Cc2nc(Cl)cs2)cc1OC ZINC000877341956 635028667 /nfs/dbraw/zinc/02/86/67/635028667.db2.gz HSRUKADXXVFPJD-UHFFFAOYSA-N 0 0 298.795 3.450 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC000877491555 635058699 /nfs/dbraw/zinc/05/86/99/635058699.db2.gz MLSKVMQYRBLFIY-MRXNPFEDSA-N 0 0 263.381 3.092 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C(F)(F)F ZINC000877502794 635063812 /nfs/dbraw/zinc/06/38/12/635063812.db2.gz SMTMQUJEWRCQEZ-UHFFFAOYSA-N 0 0 283.240 3.349 20 10 CGCDRN CCN(C)C(=O)c1cccc(NCc2c(C)cccc2O)c1 ZINC000877523680 635070353 /nfs/dbraw/zinc/07/03/53/635070353.db2.gz LFUQEHJDYJRFBN-UHFFFAOYSA-N 0 0 298.386 3.405 20 10 CGCDRN Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877523499 635070685 /nfs/dbraw/zinc/07/06/85/635070685.db2.gz KMTPZXJDDJLMPN-UHFFFAOYSA-N 0 0 296.317 3.300 20 10 CGCDRN COc1cccnc1NCc1ccc(N(C)C)cc1C ZINC000840936573 635086209 /nfs/dbraw/zinc/08/62/09/635086209.db2.gz LMSCAKDZPILSHI-UHFFFAOYSA-N 0 0 271.364 3.077 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2ccncc2)c(Cl)c1 ZINC000840940296 635086971 /nfs/dbraw/zinc/08/69/71/635086971.db2.gz YLSXTVKUGZVXHS-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCC1(F)F ZINC000840945706 635089472 /nfs/dbraw/zinc/08/94/72/635089472.db2.gz WBECZMLSKDGMGZ-CQSZACIVSA-N 0 0 268.351 3.338 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN1C[C@@H](CO)c2ccccc21 ZINC000840949210 635090963 /nfs/dbraw/zinc/09/09/63/635090963.db2.gz REYPYPMPZCUSBC-INIZCTEOSA-N 0 0 296.414 3.157 20 10 CGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)O1 ZINC000840963986 635094877 /nfs/dbraw/zinc/09/48/77/635094877.db2.gz PXVPWXAYTPBWFY-OPRDCNLKSA-N 0 0 287.762 3.088 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc(F)c1F ZINC000877603372 635107332 /nfs/dbraw/zinc/10/73/32/635107332.db2.gz LOZXKBQGUBNXSA-TZMCWYRMSA-N 0 0 297.345 3.061 20 10 CGCDRN COc1ccc(O)c(CNc2ccc3c(c2)CCCN3)c1 ZINC000841034567 635110270 /nfs/dbraw/zinc/11/02/70/635110270.db2.gz CXRCHSCUVVXFJN-UHFFFAOYSA-N 0 0 284.359 3.371 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000877662370 635136874 /nfs/dbraw/zinc/13/68/74/635136874.db2.gz QATBVVFEDUABQV-VIFPVBQESA-N 0 0 289.803 3.418 20 10 CGCDRN CC(C)[C@H]1CN(C(=O)Nc2ccc(N)cc2)[C@H]1C(C)C ZINC000841297870 635148288 /nfs/dbraw/zinc/14/82/88/635148288.db2.gz JLIOPNBMRHPLSK-CABCVRRESA-N 0 0 275.396 3.413 20 10 CGCDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297284 635148520 /nfs/dbraw/zinc/14/85/20/635148520.db2.gz OBGBPMYCLFMHDN-LDYMZIIASA-N 0 0 287.285 3.073 20 10 CGCDRN C[C@H](CCCc1cccnc1)NC(=O)Nc1ccc(N)cc1 ZINC000841297202 635148954 /nfs/dbraw/zinc/14/89/54/635148954.db2.gz CKRKKHLYZKKMNC-CYBMUJFWSA-N 0 0 298.390 3.197 20 10 CGCDRN CC(C)[C@H]1N(C(=O)Nc2ccc(N)cc2)CC1(C)C ZINC000841299776 635149952 /nfs/dbraw/zinc/14/99/52/635149952.db2.gz NSYKSDGHIDYGAG-CYBMUJFWSA-N 0 0 261.369 3.167 20 10 CGCDRN CCCCCC[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841616077 635197244 /nfs/dbraw/zinc/19/72/44/635197244.db2.gz JNGHPSSIBFRJGJ-CQSZACIVSA-N 0 0 291.439 3.469 20 10 CGCDRN CC(C)(O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877796221 635206660 /nfs/dbraw/zinc/20/66/60/635206660.db2.gz ADBNDLGEXMFZMP-LBPRGKRZSA-N 0 0 283.799 3.029 20 10 CGCDRN CCOCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841742923 635220436 /nfs/dbraw/zinc/22/04/36/635220436.db2.gz ALLUUZRTJGMBIF-JTQLQIEISA-N 0 0 257.761 3.123 20 10 CGCDRN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754837 635229234 /nfs/dbraw/zinc/22/92/34/635229234.db2.gz MAPKCBJSNPGNFX-DCAQKATOSA-N 0 0 271.788 3.103 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000841760387 635232822 /nfs/dbraw/zinc/23/28/22/635232822.db2.gz VARALPZTOGBEHX-UVPNAGLESA-N 0 0 290.190 3.263 20 10 CGCDRN CCC(CC)(CC)CNC(=O)NCCc1ccc(N)cc1 ZINC000841857470 635243341 /nfs/dbraw/zinc/24/33/41/635243341.db2.gz OWVFKTCDWNZSOA-UHFFFAOYSA-N 0 0 291.439 3.327 20 10 CGCDRN CCC[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841960364 635252425 /nfs/dbraw/zinc/25/24/25/635252425.db2.gz OCJBAXLJSFOZEY-MRXNPFEDSA-N 0 0 289.423 3.176 20 10 CGCDRN CCC(CC)CN(CC)C(=O)NCCc1ccc(N)cc1 ZINC000841961191 635252820 /nfs/dbraw/zinc/25/28/20/635252820.db2.gz BEFVMWBOBZHWAL-UHFFFAOYSA-N 0 0 291.439 3.279 20 10 CGCDRN C[C@H](c1ccccc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962808 635253011 /nfs/dbraw/zinc/25/30/11/635253011.db2.gz SYLYOMGLDXCUFS-CQSZACIVSA-N 0 0 297.402 3.214 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C3=CCCCC3)ccc21 ZINC000127133742 635520992 /nfs/dbraw/zinc/52/09/92/635520992.db2.gz JWRLXHHDECMWKY-UHFFFAOYSA-N 0 0 284.403 3.186 20 10 CGCDRN C[C@@H]1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158499 635587597 /nfs/dbraw/zinc/58/75/97/635587597.db2.gz DQUAKJPKALTBOF-PWSUYJOCSA-N 0 0 257.337 3.146 20 10 CGCDRN CCCC1(c2nc(Cc3ccc(N)cc3)no2)CCC1 ZINC000843158710 635589205 /nfs/dbraw/zinc/58/92/05/635589205.db2.gz HRGMTMUKFZBMOQ-UHFFFAOYSA-N 0 0 271.364 3.464 20 10 CGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1cc(OC)ccc1O ZINC000878852150 635643062 /nfs/dbraw/zinc/64/30/62/635643062.db2.gz FAQCILUALBHMNB-DYVFJYSZSA-N 0 0 291.391 3.233 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000843343566 635651491 /nfs/dbraw/zinc/65/14/91/635651491.db2.gz ZIYGAEQWKRJENS-SJORKVTESA-N 0 0 286.419 3.144 20 10 CGCDRN CCCC[C@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843425938 635670213 /nfs/dbraw/zinc/67/02/13/635670213.db2.gz KPJCVEDVQCQYJX-CQSZACIVSA-N 0 0 289.778 3.216 20 10 CGCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843433610 635674321 /nfs/dbraw/zinc/67/43/21/635674321.db2.gz AVYXNINSEPSZHG-WRWORJQWSA-N 0 0 275.776 3.168 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2CCC(C)=C(C)C2)c(O)c1 ZINC000843874066 635790561 /nfs/dbraw/zinc/79/05/61/635790561.db2.gz BOSSMKLUPZVWNI-CYBMUJFWSA-N 0 0 289.375 3.154 20 10 CGCDRN CC(C)CCc1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879651643 635827728 /nfs/dbraw/zinc/82/77/28/635827728.db2.gz FHMKFPNKJXVIDD-LBPRGKRZSA-N 0 0 289.379 3.215 20 10 CGCDRN COC(=O)[C@H](N[C@@H](C)c1ccccc1O)c1ccccc1C ZINC000879650695 635827815 /nfs/dbraw/zinc/82/78/15/635827815.db2.gz OBEZGFKPALFTHG-SUMWQHHRSA-N 0 0 299.370 3.266 20 10 CGCDRN C[C@H](N[C@@H](C)c1ccccc1O)c1nc(C2CC2)no1 ZINC000879651735 635828358 /nfs/dbraw/zinc/82/83/58/635828358.db2.gz IUZCFWKHDWOGBT-UWVGGRQHSA-N 0 0 273.336 3.064 20 10 CGCDRN COc1ccc(N(C)Cc2cc3n(n2)CCC3)cc1Cl ZINC000844302137 635864134 /nfs/dbraw/zinc/86/41/34/635864134.db2.gz DHXTWSXCQNRGQM-UHFFFAOYSA-N 0 0 291.782 3.128 20 10 CGCDRN COc1ccc(N(C)Cc2cc(OC)cc(C)n2)cc1 ZINC000844353437 635878337 /nfs/dbraw/zinc/87/83/37/635878337.db2.gz WXRBLFIQIIIQKP-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CCc1nn(C)c(Cl)c1CN(C)c1ccc(OC)cc1 ZINC000845998727 636127778 /nfs/dbraw/zinc/12/77/78/636127778.db2.gz NXBGHELFRDIVIU-UHFFFAOYSA-N 0 0 293.798 3.281 20 10 CGCDRN COc1ccc(N(C)CCCc2cnccc2C)cc1 ZINC000845998811 636128400 /nfs/dbraw/zinc/12/84/00/636128400.db2.gz QKOHFSJFRDTZNZ-UHFFFAOYSA-N 0 0 270.376 3.468 20 10 CGCDRN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000846016756 636129621 /nfs/dbraw/zinc/12/96/21/636129621.db2.gz JGYHUDGNCAWYNQ-ZANVPECISA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@@H]1CC[C@H](CCC(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474804 636188175 /nfs/dbraw/zinc/18/81/75/636188175.db2.gz BVWKHCCINDQIJQ-ZWNOBZJWSA-N 0 0 297.782 3.010 20 10 CGCDRN C[C@H]1CC[C@@H](CCC(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474798 636188197 /nfs/dbraw/zinc/18/81/97/636188197.db2.gz BVWKHCCINDQIJQ-GWCFXTLKSA-N 0 0 297.782 3.010 20 10 CGCDRN CC(C)(C)/C=C\C(=O)NCc1cc(Cl)ccc1O ZINC000846477258 636188685 /nfs/dbraw/zinc/18/86/85/636188685.db2.gz RFJNCOFYPRVQOL-SREVYHEPSA-N 0 0 267.756 3.264 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C1(F)CCCCC1 ZINC000846477593 636189046 /nfs/dbraw/zinc/18/90/46/636189046.db2.gz SVQJUPPQIFCIAH-UHFFFAOYSA-N 0 0 285.746 3.334 20 10 CGCDRN CCC(C)(C)c1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000881774317 636197732 /nfs/dbraw/zinc/19/77/32/636197732.db2.gz NIPBUKHCVUKMOV-UHFFFAOYSA-N 0 0 288.395 3.435 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccccc2NC2CCC2)cc1 ZINC000846696746 636218806 /nfs/dbraw/zinc/21/88/06/636218806.db2.gz HGJDHSAURJSPPE-UHFFFAOYSA-N 0 0 295.386 3.414 20 10 CGCDRN CC(C)c1c[nH]c(CNCc2ccc(N(C)C)c(F)c2)n1 ZINC000882943320 636469644 /nfs/dbraw/zinc/46/96/44/636469644.db2.gz NECSSIJGWMMBHY-UHFFFAOYSA-N 0 0 290.386 3.028 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCCO1 ZINC000883040179 636517459 /nfs/dbraw/zinc/51/74/59/636517459.db2.gz RXHQGYGGDKIQSW-AWEZNQCLSA-N 0 0 299.361 3.355 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCCO1 ZINC000883040180 636517811 /nfs/dbraw/zinc/51/78/11/636517811.db2.gz RXHQGYGGDKIQSW-CQSZACIVSA-N 0 0 299.361 3.355 20 10 CGCDRN COC1CCC(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883088166 636536808 /nfs/dbraw/zinc/53/68/08/636536808.db2.gz VWLKBAFIRCADEB-UHFFFAOYSA-N 0 0 299.361 3.355 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000883139894 636551987 /nfs/dbraw/zinc/55/19/87/636551987.db2.gz COEVQPLHNAESCS-UHFFFAOYSA-N 0 0 277.261 3.195 20 10 CGCDRN C=C/C=C\CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000883140290 636553130 /nfs/dbraw/zinc/55/31/30/636553130.db2.gz OXDJTKUESMWMNX-ARJAWSKDSA-N 0 0 299.418 3.218 20 10 CGCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCCO1 ZINC000883195812 636578939 /nfs/dbraw/zinc/57/89/39/636578939.db2.gz CQRMAZLSPMDAGI-CYBMUJFWSA-N 0 0 285.334 3.108 20 10 CGCDRN C=C/C=C/CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883268115 636639661 /nfs/dbraw/zinc/63/96/61/636639661.db2.gz CGBGDVBWRCJYOB-SGUJLRQBSA-N 0 0 262.309 3.083 20 10 CGCDRN OCCOc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000131402374 636651463 /nfs/dbraw/zinc/65/14/63/636651463.db2.gz KJBCGCKIEPYCOI-UHFFFAOYSA-N 0 0 293.750 3.029 20 10 CGCDRN C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000883380784 636722053 /nfs/dbraw/zinc/72/20/53/636722053.db2.gz AJLMFRYNVOBEPR-JTQLQIEISA-N 0 0 297.345 3.280 20 10 CGCDRN CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000006977495 636828324 /nfs/dbraw/zinc/82/83/24/636828324.db2.gz FMMJMWOMFTVKBN-UHFFFAOYSA-N 0 0 299.370 3.457 20 10 CGCDRN C=C/C=C/CCNC(=O)N(CCC)Cc1ccccc1O ZINC000883913737 636876449 /nfs/dbraw/zinc/87/64/49/636876449.db2.gz CMJFUVMLSNQSSZ-AATRIKPKSA-N 0 0 288.391 3.446 20 10 CGCDRN COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(N)cc1)C2 ZINC000884009012 636899124 /nfs/dbraw/zinc/89/91/24/636899124.db2.gz IWMIRLNPURZOOT-CQSZACIVSA-N 0 0 296.370 3.021 20 10 CGCDRN COc1cccc(CNc2cncc3c2CCCC3)c1O ZINC000850342562 637020936 /nfs/dbraw/zinc/02/09/36/637020936.db2.gz LAZFLFDDEHJMBX-UHFFFAOYSA-N 0 0 284.359 3.287 20 10 CGCDRN CCC(O)(CC)C(C)(C)C[NH2+]Cc1c(O)cccc1OC ZINC000850353617 637023857 /nfs/dbraw/zinc/02/38/57/637023857.db2.gz IOLGFIKCTBCYRR-UHFFFAOYSA-N 0 0 295.423 3.068 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000850523863 637103008 /nfs/dbraw/zinc/10/30/08/637103008.db2.gz QGSBKKONCOLCDB-JSGCOSHPSA-N 0 0 279.355 3.284 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000850553864 637118586 /nfs/dbraw/zinc/11/85/86/637118586.db2.gz AGYPFKGNEABPOJ-ZBEGNZNMSA-N 0 0 291.391 3.264 20 10 CGCDRN Nc1ccc(NC(=O)NC2CCC3(CC3(F)F)CC2)cc1 ZINC000850750851 637145253 /nfs/dbraw/zinc/14/52/53/637145253.db2.gz OWCUKEUUMCAFFD-UHFFFAOYSA-N 0 0 295.333 3.358 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1ccccc1 ZINC000136948762 637411287 /nfs/dbraw/zinc/41/12/87/637411287.db2.gz OPOKSDXSWIGHGD-VAWYXSNFSA-N 0 0 267.328 3.064 20 10 CGCDRN CC[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CCCC1 ZINC000886501555 637543831 /nfs/dbraw/zinc/54/38/31/637543831.db2.gz OCXRNTSDOKXMCS-STQMWFEESA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886508989 637545966 /nfs/dbraw/zinc/54/59/66/637545966.db2.gz WDWMZPPTYDVRLO-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)N1CCCCC1 ZINC000886509080 637545993 /nfs/dbraw/zinc/54/59/93/637545993.db2.gz ZTMUCPGOMCLWJE-CHWSQXEVSA-N 0 0 280.387 3.056 20 10 CGCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1O ZINC000886520740 637551518 /nfs/dbraw/zinc/55/15/18/637551518.db2.gz LTRQPFJAHRIVCN-SNVBAGLBSA-N 0 0 291.322 3.096 20 10 CGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1c([O-])cccc1F ZINC000886530685 637556166 /nfs/dbraw/zinc/55/61/66/637556166.db2.gz OSZSXYQQZNOINH-IUODEOHRSA-N 0 0 289.350 3.306 20 10 CGCDRN Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530509 637556622 /nfs/dbraw/zinc/55/66/22/637556622.db2.gz LTUZWKGGNCPBDA-ONGXEEELSA-N 0 0 292.354 3.418 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886532889 637558282 /nfs/dbraw/zinc/55/82/82/637558282.db2.gz QGWQRQIASYBCDX-WDEREUQCSA-N 0 0 269.360 3.386 20 10 CGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886543154 637569663 /nfs/dbraw/zinc/56/96/63/637569663.db2.gz LGWLGUYWSNKTKV-SUNKGSAMSA-N 0 0 293.338 3.287 20 10 CGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886554840 637577387 /nfs/dbraw/zinc/57/73/87/637577387.db2.gz DPBPKTIWMNMBHL-XHDPSFHLSA-N 0 0 283.387 3.225 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000219899689 637583243 /nfs/dbraw/zinc/58/32/43/637583243.db2.gz FOLDFXGODLYNHN-GZMMTYOYSA-N 0 0 290.190 3.356 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1c(O)cccc1F ZINC000886579191 637590160 /nfs/dbraw/zinc/59/01/60/637590160.db2.gz CGOYQBYSGWNWLB-SECBINFHSA-N 0 0 263.316 3.000 20 10 CGCDRN Cc1nnc([C@@H](C)N[C@@H](C)c2c(O)cccc2F)s1 ZINC000886589851 637595097 /nfs/dbraw/zinc/59/50/97/637595097.db2.gz HRFYQZYTEAUILE-JGVFFNPUSA-N 0 0 281.356 3.103 20 10 CGCDRN C[C@@H](Nc1cccc(CCO)c1)c1c(O)cccc1F ZINC000886622661 637615285 /nfs/dbraw/zinc/61/52/85/637615285.db2.gz ZPNXNWKEQVLZQN-LLVKDONJSA-N 0 0 275.323 3.239 20 10 CGCDRN C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O ZINC000886801712 637697445 /nfs/dbraw/zinc/69/74/45/637697445.db2.gz RGIPFOMBGDXVOE-HQJQHLMTSA-N 0 0 297.704 3.010 20 10 CGCDRN CCN(CC)c1ccc(CNc2cnc(F)cn2)cc1 ZINC000853193422 637778190 /nfs/dbraw/zinc/77/81/90/637778190.db2.gz VBMRYJNTVKDXNZ-UHFFFAOYSA-N 0 0 274.343 3.074 20 10 CGCDRN C[C@@H]([NH2+]CCOC1CCCC1)c1ccc(F)cc1[O-] ZINC000111635216 637932602 /nfs/dbraw/zinc/93/26/02/637932602.db2.gz KQFCCTWQXXGAPJ-LLVKDONJSA-N 0 0 267.344 3.141 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc1 ZINC000854135331 637993445 /nfs/dbraw/zinc/99/34/45/637993445.db2.gz ZTYHEGYTVPOEQC-BNOWGMLFSA-N 0 0 269.348 3.146 20 10 CGCDRN Cc1cc(O)c(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)cc1C ZINC000854243857 638032158 /nfs/dbraw/zinc/03/21/58/638032158.db2.gz FORXOXOGLHIWPK-AWEZNQCLSA-N 0 0 293.407 3.236 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc(Cl)s2)SC1=S ZINC000011091780 638373539 /nfs/dbraw/zinc/37/35/39/638373539.db2.gz BPCLGLLWMSSILQ-GQCTYLIASA-N 0 0 275.807 3.233 20 10 CGCDRN Cc1ccccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281197 638514960 /nfs/dbraw/zinc/51/49/60/638514960.db2.gz DADXUTKWYBHYBQ-UHFFFAOYSA-N 0 0 282.387 3.299 20 10 CGCDRN C[C@H](Nc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000858491609 638740782 /nfs/dbraw/zinc/74/07/82/638740782.db2.gz LKAVVJQUWJVGIM-LBPRGKRZSA-N 0 0 276.359 3.092 20 10 CGCDRN C[C@@H](Nc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000858491608 638741525 /nfs/dbraw/zinc/74/15/25/638741525.db2.gz LKAVVJQUWJVGIM-GFCCVEGCSA-N 0 0 276.359 3.092 20 10 CGCDRN CCC(F)(F)CN[C@H](C)c1cccc(OC)c1O ZINC000858508760 638750485 /nfs/dbraw/zinc/75/04/85/638750485.db2.gz YSMBNZGVDVVMQH-SECBINFHSA-N 0 0 259.296 3.097 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1c([O-])cccc1F ZINC000927028290 638833634 /nfs/dbraw/zinc/83/36/34/638833634.db2.gz MCJLBFIEVQBEHB-VWYCJHECSA-N 0 0 269.385 3.466 20 10 CGCDRN CC(C)c1nc(C(=O)NCc2c(O)cccc2F)cs1 ZINC000928712595 638889734 /nfs/dbraw/zinc/88/97/34/638889734.db2.gz UEYMHAVKYONYEL-UHFFFAOYSA-N 0 0 294.351 3.041 20 10 CGCDRN CCCC[C@](C)(F)C(=O)NCc1c(O)cccc1F ZINC000928710077 638889793 /nfs/dbraw/zinc/88/97/93/638889793.db2.gz GRZSPKUQLANCMW-AWEZNQCLSA-N 0 0 271.307 3.066 20 10 CGCDRN COc1ccc(N(C)CCCCCNC(C)=O)cc1Cl ZINC000929829350 638955360 /nfs/dbraw/zinc/95/53/60/638955360.db2.gz QTDPULWLJJAMFF-UHFFFAOYSA-N 0 0 298.814 3.091 20 10 CGCDRN CCCC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000116405192 639040562 /nfs/dbraw/zinc/04/05/62/639040562.db2.gz UTIIEKYXTJBQHE-UHFFFAOYSA-N 0 0 277.412 3.131 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@]12C[C@H]1CCC2 ZINC000930934960 639087825 /nfs/dbraw/zinc/08/78/25/639087825.db2.gz QQJNRGXIEQJORR-VQIMIIECSA-N 0 0 298.430 3.483 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@]3(C)C=CCC3)ccc21 ZINC000931152433 639118622 /nfs/dbraw/zinc/11/86/22/639118622.db2.gz QCMSSDKKWZFESB-SFHVURJKSA-N 0 0 284.403 3.042 20 10 CGCDRN Nc1ccc(NC(=O)NCC[C@H]2CC=CCC2)cc1 ZINC000859698606 639193517 /nfs/dbraw/zinc/19/35/17/639193517.db2.gz ZLRULZLRBAIIJU-LBPRGKRZSA-N 0 0 259.353 3.137 20 10 CGCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccccc2O)c1 ZINC000860047616 639272184 /nfs/dbraw/zinc/27/21/84/639272184.db2.gz ICXIEJUZBPSERR-DLBZAZTESA-N 0 0 295.382 3.463 20 10 CGCDRN C[C@@]1(C(=O)NCCCSc2nccs2)C=CCC1 ZINC000932683458 639373218 /nfs/dbraw/zinc/37/32/18/639373218.db2.gz OVUIECRGIPSZLH-CYBMUJFWSA-N 0 0 282.434 3.098 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C)cc(C)n2)c1 ZINC000860936519 639471695 /nfs/dbraw/zinc/47/16/95/639471695.db2.gz CFQQHFADLWAHOV-UHFFFAOYSA-N 0 0 285.347 3.034 20 10 CGCDRN CC(C)(C(=O)NCc1ccc2cccnc2c1O)C1CCC1 ZINC000862025973 639634635 /nfs/dbraw/zinc/63/46/35/639634635.db2.gz DEXDLTRSRVDFRY-UHFFFAOYSA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@H](NC(=O)C1(C)CC=CC1)c1ccc(N(C)C)cc1 ZINC000935464996 639821224 /nfs/dbraw/zinc/82/12/24/639821224.db2.gz PBGKJYPWTIYOPE-ZDUSSCGKSA-N 0 0 272.392 3.286 20 10 CGCDRN Cc1cc(C)cc(NC(=O)CSc2nccs2)c1 ZINC000047240540 640006769 /nfs/dbraw/zinc/00/67/69/640006769.db2.gz PJZZVDDDRFETBR-UHFFFAOYSA-N 0 0 278.402 3.491 20 10 CGCDRN COc1ccc(NC(=O)CCSc2nccs2)cc1 ZINC000048876605 640075145 /nfs/dbraw/zinc/07/51/45/640075145.db2.gz XBWHZEWXUQQRNR-UHFFFAOYSA-N 0 0 294.401 3.273 20 10 CGCDRN C[C@@H](C1CC1)n1cc(NCc2ccccc2O)cn1 ZINC000189240641 640178063 /nfs/dbraw/zinc/17/80/63/640178063.db2.gz SFGYOTYWKGMHMR-NSHDSACASA-N 0 0 257.337 3.172 20 10 CGCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1nccs1 ZINC000077591247 640248953 /nfs/dbraw/zinc/24/89/53/640248953.db2.gz FHHLUDXSPUJYQA-QWRGUYRKSA-N 0 0 284.450 3.272 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc2c(c1)CCC2 ZINC000080130119 640450965 /nfs/dbraw/zinc/45/09/65/640450965.db2.gz JYZXGELGCIHJGJ-UHFFFAOYSA-N 0 0 295.382 3.082 20 10 CGCDRN Cn1c(CSc2nccs2)nc2ccccc21 ZINC000194696643 640548201 /nfs/dbraw/zinc/54/82/01/640548201.db2.gz DGGXZNUXISGKRX-UHFFFAOYSA-N 0 0 261.375 3.322 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])[C@@H]1C ZINC000091859986 640725250 /nfs/dbraw/zinc/72/52/50/640725250.db2.gz AQBPSBYJGNQYFP-NXEZZACHSA-N 0 0 284.197 3.385 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)o1 ZINC000115280351 641016475 /nfs/dbraw/zinc/01/64/75/641016475.db2.gz KYPLDQLMVKCIPA-UHFFFAOYSA-N 0 0 292.766 3.237 20 10 CGCDRN C=Cc1ccc(N2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001155945635 805626815 /nfs/dbraw/zinc/62/68/15/805626815.db2.gz YXAVWNUJKSYPBC-UHFFFAOYSA-N 0 0 282.343 3.089 20 10 CGCDRN COc1cc(-c2nc3c(ccc(C)c3F)[nH]2)cc(O)c1O ZINC001250488947 805649065 /nfs/dbraw/zinc/64/90/65/805649065.db2.gz SLNRYAPDTSVUIC-UHFFFAOYSA-N 0 0 288.278 3.097 20 10 CGCDRN COc1cc(C)cc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156923449 805752719 /nfs/dbraw/zinc/75/27/19/805752719.db2.gz CWBLTIZVKQBGRM-UHFFFAOYSA-N 0 0 285.391 3.101 20 10 CGCDRN COc1ccc(C)nc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156923406 805753188 /nfs/dbraw/zinc/75/31/88/805753188.db2.gz AZUWQCIUNCKQRJ-UHFFFAOYSA-N 0 0 285.391 3.101 20 10 CGCDRN CCc1[nH]ccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041709 805768836 /nfs/dbraw/zinc/76/88/36/805768836.db2.gz LZJCTASBLZOEPO-UHFFFAOYSA-N 0 0 294.354 3.366 20 10 CGCDRN Oc1cc(O)c(-c2nc3ccccc3n2C2CC2)cc1O ZINC001251355605 805885851 /nfs/dbraw/zinc/88/58/51/805885851.db2.gz WNTMHSJPGRRCNV-UHFFFAOYSA-N 0 0 282.299 3.155 20 10 CGCDRN CCOC(=O)c1cc(Cl)cnc1Nc1ccc(N)cc1 ZINC001159215254 806060314 /nfs/dbraw/zinc/06/03/14/806060314.db2.gz KXXYUSFGRWRPIP-UHFFFAOYSA-N 0 0 291.738 3.238 20 10 CGCDRN CCOc1cc(Nc2ccc(N)cc2)c(Cl)cn1 ZINC001159492055 806114417 /nfs/dbraw/zinc/11/44/17/806114417.db2.gz RCOPTABDHHHWLH-UHFFFAOYSA-N 0 0 263.728 3.460 20 10 CGCDRN Nc1ccc(Nc2ccnc(OCC3CC3)c2)cc1 ZINC001159485661 806113037 /nfs/dbraw/zinc/11/30/37/806113037.db2.gz PGFLCVPTBOYOCE-UHFFFAOYSA-N 0 0 255.321 3.196 20 10 CGCDRN Cc1cc2c(ccc(N)c2F)n1-c1ccc(N)cc1 ZINC001159753001 806164704 /nfs/dbraw/zinc/16/47/04/806164704.db2.gz JVQBIHFNKLTAEM-UHFFFAOYSA-N 0 0 255.296 3.242 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC001159918727 806197715 /nfs/dbraw/zinc/19/77/15/806197715.db2.gz OQHLDMPJLNMFOB-MNOVXSKESA-N 0 0 267.394 3.400 20 10 CGCDRN Cc1nnc(-c2csc(-c3ccc(N(C)C)cc3)n2)o1 ZINC001253443981 806219641 /nfs/dbraw/zinc/21/96/41/806219641.db2.gz FCEBSMAJZGMBOM-UHFFFAOYSA-N 0 0 286.360 3.235 20 10 CGCDRN CSc1ccc(NCc2c(C)cc(C)cc2O)nn1 ZINC001160811590 806307710 /nfs/dbraw/zinc/30/77/10/806307710.db2.gz RILHHGLNRKTBCY-UHFFFAOYSA-N 0 0 275.377 3.133 20 10 CGCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)Cc2ccccc21 ZINC001160887376 806315071 /nfs/dbraw/zinc/31/50/71/806315071.db2.gz YMAVPQLJNMPLFJ-UHFFFAOYSA-N 0 0 294.398 3.131 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)[C@H]1C ZINC001161251447 806361600 /nfs/dbraw/zinc/36/16/00/806361600.db2.gz XPWPFANFGCPQHL-VWYCJHECSA-N 0 0 295.354 3.039 20 10 CGCDRN CCN1CCN(Cc2ccccc2O)c2ccccc21 ZINC001254373688 806387535 /nfs/dbraw/zinc/38/75/35/806387535.db2.gz GPNPOCAQLFIRMY-UHFFFAOYSA-N 0 0 268.360 3.239 20 10 CGCDRN COc1c(F)cc(Nc2cccc(O)c2O)cc1F ZINC001211682528 814932301 /nfs/dbraw/zinc/93/23/01/814932301.db2.gz FERJZLSGQLVCLL-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN Nc1ccc(CNc2cc(Oc3ccccc3)ncn2)cc1 ZINC001162784274 806664608 /nfs/dbraw/zinc/66/46/08/806664608.db2.gz IRHSKANULBUPHL-UHFFFAOYSA-N 0 0 292.342 3.463 20 10 CGCDRN Cc1cc(C(=O)NCC2CCC2)c(C)n1-c1ccccn1 ZINC000026146465 798842192 /nfs/dbraw/zinc/84/21/92/798842192.db2.gz WJUDLXKTQGDNDN-UHFFFAOYSA-N 0 0 283.375 3.019 20 10 CGCDRN CC(=O)c1cc(F)cc(CN(C)c2ccccc2)c1O ZINC000037322584 798866071 /nfs/dbraw/zinc/86/60/71/798866071.db2.gz SPWVLIUCXZGYNE-UHFFFAOYSA-N 0 0 273.307 3.370 20 10 CGCDRN CCC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000037323064 798866771 /nfs/dbraw/zinc/86/67/71/798866771.db2.gz NRFXNRVQZXLTHY-UHFFFAOYSA-N 0 0 267.344 3.354 20 10 CGCDRN CCCCCN(C(=O)Cc1ccc(N)cc1)C(C)C ZINC000037810064 798876203 /nfs/dbraw/zinc/87/62/03/798876203.db2.gz NPZXGEPDAHQXLD-UHFFFAOYSA-N 0 0 262.397 3.239 20 10 CGCDRN O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000159732777 799074764 /nfs/dbraw/zinc/07/47/64/799074764.db2.gz HKKLPNWNMIPFTN-UHFFFAOYSA-N 0 0 292.722 3.244 20 10 CGCDRN Cc1ncccc1NCc1ccc(N(C)C)c(F)c1 ZINC000163367357 799082353 /nfs/dbraw/zinc/08/23/53/799082353.db2.gz NDAOGTRYPXBTIW-UHFFFAOYSA-N 0 0 259.328 3.207 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(Cl)n1 ZINC000176392848 799095392 /nfs/dbraw/zinc/09/53/92/799095392.db2.gz XGHQTQXLXLAJCQ-UHFFFAOYSA-N 0 0 291.738 3.105 20 10 CGCDRN O=C1N=C(NC2CCCC2)SC1=Cc1ccsc1 ZINC000208141532 799132395 /nfs/dbraw/zinc/13/23/95/799132395.db2.gz MVEMLQRJYMNHRB-YRNVUSSQSA-N 0 0 278.402 3.251 20 10 CGCDRN CC(C)(CCNC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000328489274 799253152 /nfs/dbraw/zinc/25/31/52/799253152.db2.gz NFALAUGXANXJPN-UHFFFAOYSA-N 0 0 261.369 3.217 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@H](C)F)c1 ZINC000382279797 799395302 /nfs/dbraw/zinc/39/53/02/799395302.db2.gz IRQDSWIVCJZZHO-SECBINFHSA-N 0 0 290.176 3.301 20 10 CGCDRN CC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1ccc(N)cc1)(C3)C2 ZINC000388836720 799456504 /nfs/dbraw/zinc/45/65/04/799456504.db2.gz GYUPRSKELXRLKK-MYMYQCDVSA-N 0 0 298.430 3.492 20 10 CGCDRN CC(C)[C@@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000394089737 799494480 /nfs/dbraw/zinc/49/44/80/799494480.db2.gz QFKBQWAPFDWLRW-SNVBAGLBSA-N 0 0 292.206 3.053 20 10 CGCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCc2ccccc21 ZINC000404876392 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804467717 /nfs/dbraw/zinc/46/77/17/804467717.db2.gz DEXJYDIIQKVJQN-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN Cc1snnc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001212405263 815020205 /nfs/dbraw/zinc/02/02/05/815020205.db2.gz KSNWNZAEHBMMCU-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(Cl)c1 ZINC001140922245 804548882 /nfs/dbraw/zinc/54/88/82/804548882.db2.gz LQJMFVCUSMCBNI-ZDUSSCGKSA-N 0 0 296.842 3.000 20 10 CGCDRN Cc1ccc(CN2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001140947727 804556073 /nfs/dbraw/zinc/55/60/73/804556073.db2.gz CQQNGDHICCRIIZ-ZDUSSCGKSA-N 0 0 273.298 3.270 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CCCC[C@H](C)C2)c(OC)c1 ZINC001141031453 804575584 /nfs/dbraw/zinc/57/55/84/804575584.db2.gz FFVCSBQVENNESD-LBPRGKRZSA-N 0 0 279.380 3.031 20 10 CGCDRN CN1CCOc2cc(CN3Cc4ccccc4C3)ccc21 ZINC001141139299 804596809 /nfs/dbraw/zinc/59/68/09/804596809.db2.gz RBGSVVVRNHPUKR-UHFFFAOYSA-N 0 0 280.371 3.031 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001142513072 804728750 /nfs/dbraw/zinc/72/87/50/804728750.db2.gz VZXABMQNVKHLTQ-MNOVXSKESA-N 0 0 267.319 3.292 20 10 CGCDRN C[C@@]1(C(=O)N2CCc3cccc(O)c3C2)CC=CCC1 ZINC001142545164 804736080 /nfs/dbraw/zinc/73/60/80/804736080.db2.gz VIARMNZGRWGAFN-QGZVFWFLSA-N 0 0 271.360 3.023 20 10 CGCDRN COc1ccc(F)c(CN(C)Cc2ccccc2O)c1F ZINC001143981025 804918278 /nfs/dbraw/zinc/91/82/78/804918278.db2.gz WVAIRYOHXCERDT-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN COc1c(F)ccc(Nc2ccc(N)cc2)c1F ZINC001212503788 815042931 /nfs/dbraw/zinc/04/29/31/815042931.db2.gz XCTFRYJJOUXHDJ-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN Cc1ccc([C@@H](C)C(=O)NCc2ccccc2O)cc1 ZINC001144453205 804990905 /nfs/dbraw/zinc/99/09/05/804990905.db2.gz CCVJZUJJGJJHLF-CYBMUJFWSA-N 0 0 269.344 3.121 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2CCC23COC3)cc1Cl ZINC001248883735 805033591 /nfs/dbraw/zinc/03/35/91/805033591.db2.gz PCWJTRFVYBQZTJ-UHFFFAOYSA-N 0 0 295.810 3.318 20 10 CGCDRN CCOC(=O)Cc1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001212522264 815048989 /nfs/dbraw/zinc/04/89/89/815048989.db2.gz FIODZRGFWOUPDO-UHFFFAOYSA-N 0 0 284.359 3.142 20 10 CGCDRN CN(Cc1ccc2c(c1O)C=CC(C)(C)O2)CC(F)F ZINC001249263617 805123272 /nfs/dbraw/zinc/12/32/72/805123272.db2.gz PJJUGTBKHOFRNS-UHFFFAOYSA-N 0 0 283.318 3.273 20 10 CGCDRN C/C(=C\C(=O)N(C)c1cccc2cc[nH]c21)c1cnccn1 ZINC001151023627 805279085 /nfs/dbraw/zinc/27/90/85/805279085.db2.gz HXLJHEFOJGYNLQ-ZRDIBKRKSA-N 0 0 292.342 3.024 20 10 CGCDRN O=C(/C=C\CCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001152574623 805354396 /nfs/dbraw/zinc/35/43/96/805354396.db2.gz ZVAYUMGLNWEVRU-XGICHPGQSA-N 0 0 293.366 3.423 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccnc2ccc(F)cc21 ZINC001153717496 805411890 /nfs/dbraw/zinc/41/18/90/805411890.db2.gz DDYUOEOJZQPMSJ-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN CCN(Cc1ccccc1O)c1cnc2c(n1)CCCC2 ZINC001154890972 805505930 /nfs/dbraw/zinc/50/59/30/805505930.db2.gz YLHFULOXICIOSL-UHFFFAOYSA-N 0 0 283.375 3.088 20 10 CGCDRN C[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)N(C)C ZINC001256960898 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ZINC001235296619 819063224 /nfs/dbraw/zinc/06/32/24/819063224.db2.gz LWKQHQBGSNZNLB-UHFFFAOYSA-N 0 0 288.160 3.136 20 10 CGCDRN CC[N@H+](Cc1cc(F)cc(Br)c1[O-])C1CC1 ZINC001235300273 819064972 /nfs/dbraw/zinc/06/49/72/819064972.db2.gz WJYDSCKZXJKABP-UHFFFAOYSA-N 0 0 288.160 3.278 20 10 CGCDRN CC1(C)C(CNC(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC001235392350 819083115 /nfs/dbraw/zinc/08/31/15/819083115.db2.gz HHWDFCVWKPYGNE-UHFFFAOYSA-N 0 0 288.391 3.100 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@]1(C)O ZINC001235674883 819135844 /nfs/dbraw/zinc/13/58/44/819135844.db2.gz HVYHXXATSWLEQM-ACJLOTCBSA-N 0 0 291.435 3.283 20 10 CGCDRN COc1cc(O)c(CN2CCC[C@](C)(F)C2)c(Cl)c1 ZINC001236797179 819597202 /nfs/dbraw/zinc/59/72/02/819597202.db2.gz CNJWGXAHDNOHHX-AWEZNQCLSA-N 0 0 287.762 3.378 20 10 CGCDRN COc1cc(O)c(CN2Cc3ncsc3C2)c(Cl)c1 ZINC001236807993 819601933 /nfs/dbraw/zinc/60/19/33/819601933.db2.gz MAZGZFDHDKBRGU-UHFFFAOYSA-N 0 0 296.779 3.027 20 10 CGCDRN Oc1cc(Cl)c(Cl)cc1CN1CC2(CSC2)C1 ZINC001236803851 819602786 /nfs/dbraw/zinc/60/27/86/819602786.db2.gz PVSITZOAZLMIKU-UHFFFAOYSA-N 0 0 290.215 3.248 20 10 CGCDRN CN(Cc1ccon1)Cc1cc2ccccc2cc1O ZINC001236832919 819611291 /nfs/dbraw/zinc/61/12/91/819611291.db2.gz MJEBOKKBKASDCH-UHFFFAOYSA-N 0 0 268.316 3.165 20 10 CGCDRN CC(C)Cn1ccc(-c2cc(Cl)ccc2N)cc1=O ZINC001243486446 823419711 /nfs/dbraw/zinc/41/97/11/823419711.db2.gz SREOBAMSQYZMQN-UHFFFAOYSA-N 0 0 276.767 3.407 20 10 CGCDRN CC(C)c1ccc(CN2CC(F)(F)CC[C@H]2CO)c(O)c1 ZINC001237044271 819648200 /nfs/dbraw/zinc/64/82/00/819648200.db2.gz BLZAFJHQHQBJOZ-AWEZNQCLSA-N 0 0 299.361 3.108 20 10 CGCDRN CC(C)c1ccc(CN2CC(Oc3cccnc3)C2)c(O)c1 ZINC001237054306 819655261 /nfs/dbraw/zinc/65/52/61/819655261.db2.gz VLSAZYRISVGENK-UHFFFAOYSA-N 0 0 298.386 3.174 20 10 CGCDRN CN(CCF)Cc1c(O)ccc(Cl)c1Cl ZINC001237083708 819663908 /nfs/dbraw/zinc/66/39/08/819663908.db2.gz BQPBGRSANKETHZ-UHFFFAOYSA-N 0 0 252.116 3.100 20 10 CGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCOCC12CC2 ZINC001237083425 819664126 /nfs/dbraw/zinc/66/41/26/819664126.db2.gz CUTQZIGVVSHMSR-UHFFFAOYSA-N 0 0 288.174 3.064 20 10 CGCDRN Oc1ccc(Cl)c(Cl)c1CN1CCOC2(CC2)C1 ZINC001237087179 819664350 /nfs/dbraw/zinc/66/43/50/819664350.db2.gz UYZFYLITUSOGJJ-UHFFFAOYSA-N 0 0 288.174 3.064 20 10 CGCDRN CSCC[N@H+](C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237087506 819664394 /nfs/dbraw/zinc/66/43/94/819664394.db2.gz XYGRBZDMFOCKOY-UHFFFAOYSA-N 0 0 280.220 3.494 20 10 CGCDRN CC(C)[C@H]1COCCN1Cc1c(O)ccc(F)c1Cl ZINC001237126735 819673884 /nfs/dbraw/zinc/67/38/84/819673884.db2.gz QNHYAZUNMFUMQM-GFCCVEGCSA-N 0 0 287.762 3.042 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CCC1 ZINC001237620767 819788544 /nfs/dbraw/zinc/78/85/44/819788544.db2.gz PUPZFRQAWHDDQN-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN CC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(C)c1O ZINC001237687159 819807146 /nfs/dbraw/zinc/80/71/46/819807146.db2.gz RZALXEUKRXGATC-CQSZACIVSA-N 0 0 281.783 3.298 20 10 CGCDRN COCC[N@H+](Cc1cc(F)cc(Cl)c1[O-])C(C)C ZINC001237813191 819850800 /nfs/dbraw/zinc/85/08/00/819850800.db2.gz LJRMRDDAMCKWDQ-UHFFFAOYSA-N 0 0 275.751 3.042 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])[C@@H](C)C1 ZINC001237945399 819887523 /nfs/dbraw/zinc/88/75/23/819887523.db2.gz ZMHVZMGPFKIFHM-GXSJLCMTSA-N 0 0 287.762 3.184 20 10 CGCDRN Oc1cccc2c1CN(Cc1c(F)ccnc1Cl)CC2 ZINC001238231968 819966919 /nfs/dbraw/zinc/96/69/19/819966919.db2.gz BTRLGSNAXOUSOG-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN Cn1ccc2c1nccc2-c1cc2ccccc2[nH]c1=O ZINC001238881376 820145395 /nfs/dbraw/zinc/14/53/95/820145395.db2.gz GFUNDOZUYTUADF-UHFFFAOYSA-N 0 0 275.311 3.494 20 10 CGCDRN CCOc1cc(C)c(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001238979237 820179349 /nfs/dbraw/zinc/17/93/49/820179349.db2.gz OLFCBIWLRDGLRU-UHFFFAOYSA-N 0 0 294.354 3.308 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2c(C)n[nH]c2C)cn1 ZINC001240126247 820835062 /nfs/dbraw/zinc/83/50/62/820835062.db2.gz PODCHGKWGJBIDW-UHFFFAOYSA-N 0 0 266.348 3.496 20 10 CGCDRN Cc1cc2cc(-c3ccn(CC(C)C)c(=O)c3)cnc2[nH]1 ZINC001240489194 821084138 /nfs/dbraw/zinc/08/41/38/821084138.db2.gz IAMIVQZRSVEEPN-UHFFFAOYSA-N 0 0 281.359 3.356 20 10 CGCDRN CCOC(=O)Cc1ccc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240574071 821159688 /nfs/dbraw/zinc/15/96/88/821159688.db2.gz QZZWNUWYGOBKCX-UHFFFAOYSA-N 0 0 294.354 3.346 20 10 CGCDRN COC(=O)c1nc(OC)ccc1-c1ccc2ccn(C)c2c1 ZINC001240575062 821160808 /nfs/dbraw/zinc/16/08/08/821160808.db2.gz QUHGDXGPPJKSCL-UHFFFAOYSA-N 0 0 296.326 3.036 20 10 CGCDRN Cc1c[nH]c2ncc(-c3ccnc4c3ccn4C)cc12 ZINC001240963002 821449047 /nfs/dbraw/zinc/44/90/47/821449047.db2.gz CDWWLUYSTAVEGF-UHFFFAOYSA-N 0 0 262.316 3.425 20 10 CGCDRN c1cn2cc(C3=CCN(c4ccccc4)CC3)cnc2n1 ZINC001241351939 821754119 /nfs/dbraw/zinc/75/41/19/821754119.db2.gz JTLLBUQWEJXDEK-UHFFFAOYSA-N 0 0 276.343 3.023 20 10 CGCDRN CC(C)Oc1cncc(-c2cccc3c2ccn3C)n1 ZINC001241820934 822162088 /nfs/dbraw/zinc/16/20/88/822162088.db2.gz WRKFBGCAPNSGGT-UHFFFAOYSA-N 0 0 267.332 3.423 20 10 CGCDRN COC(=O)c1ncc(-c2cccc3c2ccn3C)cc1F ZINC001241822132 822162602 /nfs/dbraw/zinc/16/26/02/822162602.db2.gz QJRJSEXWRMODBP-UHFFFAOYSA-N 0 0 284.290 3.166 20 10 CGCDRN Cn1ccc2c1cccc2-c1cnc2c(ccn2C)n1 ZINC001241822412 822163995 /nfs/dbraw/zinc/16/39/95/822163995.db2.gz VBCNSVSBTHMCGU-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN Cn1ccc2c1cccc2-c1cn(CC2CCC2)c(=O)cn1 ZINC001241824138 822164939 /nfs/dbraw/zinc/16/49/39/822164939.db2.gz LCGOAHGLOVWNGM-UHFFFAOYSA-N 0 0 293.370 3.202 20 10 CGCDRN COCCCn1cc(-c2ccc3ccn(C)c3c2)cn1 ZINC001242487767 823009390 /nfs/dbraw/zinc/00/93/90/823009390.db2.gz GHLJTHQBVYOCKD-UHFFFAOYSA-N 0 0 269.348 3.078 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC001338324627 936317157 /nfs/dbraw/zinc/31/71/57/936317157.db2.gz AHRYJFONXFXVEM-HIFRSBDPSA-N 0 0 287.407 3.222 20 10 CGCDRN CN(C(=O)C1(C)C(C)(C)C1(C)C)c1ccc(N)cc1 ZINC001341476947 936439546 /nfs/dbraw/zinc/43/95/46/936439546.db2.gz JBFBVVIBDCYDEX-UHFFFAOYSA-N 0 0 260.381 3.304 20 10 CGCDRN Nc1ccc(CC(=O)NC2(C3CCCCC3)CC2)cc1 ZINC001341514011 936440611 /nfs/dbraw/zinc/44/06/11/936440611.db2.gz VOYIFIJSLXOJNO-UHFFFAOYSA-N 0 0 272.392 3.040 20 10 CGCDRN O=C(CCCC1CC1)Nc1c2nonc2ccc1Cl ZINC001343662602 936508907 /nfs/dbraw/zinc/50/89/07/936508907.db2.gz FAKNPLWVHUGQAI-UHFFFAOYSA-N 0 0 279.727 3.395 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]2C(C)(C)C)cc1 ZINC001346086662 936837238 /nfs/dbraw/zinc/83/72/38/936837238.db2.gz QJLBQTDGTXFVOH-OAHLLOKOSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(C)(C)CC(C)(C)C(=O)NCc1cccc(O)c1O ZINC001350315755 936987527 /nfs/dbraw/zinc/98/75/27/936987527.db2.gz RFBBQWCMOKKUHP-UHFFFAOYSA-N 0 0 279.380 3.176 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001350585005 936995184 /nfs/dbraw/zinc/99/51/84/936995184.db2.gz YPIBHMFDDWDKNV-ZFRGLUTLSA-N 0 0 291.700 3.318 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1C[C@H]1[C@H]1C[C@H]1C)c1ccccc1O ZINC001353127664 937058141 /nfs/dbraw/zinc/05/81/41/937058141.db2.gz WRFKBOKJDXOGJI-FUQNVFFISA-N 0 0 288.391 3.045 20 10 CGCDRN CCC(CC)CN(CC)C(=O)NCc1ccc(N)cc1 ZINC001353540937 937068556 /nfs/dbraw/zinc/06/85/56/937068556.db2.gz ZPLGZARBLITOAH-UHFFFAOYSA-N 0 0 277.412 3.237 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1cc(F)ccc1F ZINC001356505066 937160242 /nfs/dbraw/zinc/16/02/42/937160242.db2.gz OYCOUFMIEXSARO-YVMONPNESA-N 0 0 288.297 3.344 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC001357241284 937167771 /nfs/dbraw/zinc/16/77/71/937167771.db2.gz HQVFOUCNOOAMNI-UONOGXRCSA-N 0 0 297.402 3.260 20 10 CGCDRN O=C(/C=C/CCc1ccccc1)NCc1ccccc1O ZINC001545681877 928092172 /nfs/dbraw/zinc/09/21/72/928092172.db2.gz HGJRMDVNNSZIIP-NTUHNPAUSA-N 0 0 281.355 3.197 20 10 CGCDRN Cn1cnc(/C=C\C(=O)N2CCCCCc3ccccc32)c1 ZINC001360975326 937225976 /nfs/dbraw/zinc/22/59/76/937225976.db2.gz SFCCXNWVVUXBGZ-KHPPLWFESA-N 0 0 295.386 3.193 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc(C)cc1 ZINC001434974939 937251806 /nfs/dbraw/zinc/25/18/06/937251806.db2.gz HFLDNINJELMTFT-SDNWHVSQSA-N 0 0 266.344 3.456 20 10 CGCDRN CCCCN(CCCC)C(=O)c1ccc(C)c(O)c1O ZINC000780888811 928874529 /nfs/dbraw/zinc/87/45/29/928874529.db2.gz WVGXCWFTGMVMNX-UHFFFAOYSA-N 0 0 279.380 3.449 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccc(Cl)n2)cn1 ZINC001436625267 937283828 /nfs/dbraw/zinc/28/38/28/937283828.db2.gz RDICNGQHKKGGJY-HJWRWDBZSA-N 0 0 287.750 3.115 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc(O)c(C)c1 ZINC001454642029 937410532 /nfs/dbraw/zinc/41/05/32/937410532.db2.gz OCOCATPBCLLKCV-DAXSKMNVSA-N 0 0 282.343 3.080 20 10 CGCDRN Cc1cccc2oc(C(=O)NCc3cc(O)ccc3O)cc21 ZINC001455351162 937417390 /nfs/dbraw/zinc/41/73/90/937417390.db2.gz DEOURIRYVMAFED-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN C/C(=C/C(=O)N[C@H](C)c1ccccc1O)c1ccco1 ZINC001454808071 937412847 /nfs/dbraw/zinc/41/28/47/937412847.db2.gz SJUNBNBAIXOLSQ-NLYDNYMLSA-N 0 0 271.316 3.266 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@H]2CC[C@H](C)O2)cc1 ZINC001460130420 937516840 /nfs/dbraw/zinc/51/68/40/937516840.db2.gz NWPZCUWPQYOGRE-SUMWQHHRSA-N 0 0 275.392 3.479 20 10 CGCDRN Cc1ccc(C)c(CN2CC[C@@H](C)C(F)(F)C2)c1O ZINC001140178294 931957064 /nfs/dbraw/zinc/95/70/64/931957064.db2.gz HFDAGTMHOXJPPJ-GFCCVEGCSA-N 0 0 269.335 3.486 20 10 CGCDRN CC(C)Oc1cccnc1NCc1cc(F)cc(F)c1O ZINC001461444761 937581911 /nfs/dbraw/zinc/58/19/11/937581911.db2.gz RPKKGFCJGCULKZ-UHFFFAOYSA-N 0 0 294.301 3.465 20 10 CGCDRN COc1cc(F)cc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC001462073111 937616417 /nfs/dbraw/zinc/61/64/17/937616417.db2.gz HHDSUSMBCKWLAF-UHFFFAOYSA-N 0 0 289.306 3.199 20 10 CGCDRN C[C@]1([NH2+]Cc2cc(F)c(F)cc2[O-])CC=CCC1 ZINC001462343795 937633714 /nfs/dbraw/zinc/63/37/14/937633714.db2.gz RHHJGVHETDPJDF-AWEZNQCLSA-N 0 0 253.292 3.259 20 10 CGCDRN Cc1ccc(C(C)(C)C(=O)NCc2c(O)cccc2O)cc1 ZINC001304053061 932840835 /nfs/dbraw/zinc/84/08/35/932840835.db2.gz BAGNGFWJVKRARM-UHFFFAOYSA-N 0 0 299.370 3.000 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)c1ccoc1Cl ZINC001305084471 932862388 /nfs/dbraw/zinc/86/23/88/932862388.db2.gz JQSHWIAUTABBGD-UHFFFAOYSA-N 0 0 286.114 3.222 20 10 CGCDRN Oc1ccc(Cl)cc1CNCc1nc(Cl)cs1 ZINC001462396256 937638054 /nfs/dbraw/zinc/63/80/54/937638054.db2.gz PICYYSUBNNJORR-UHFFFAOYSA-N 0 0 289.187 3.445 20 10 CGCDRN CN(Cc1cc(F)c(F)cc1O)c1cccc(O)c1 ZINC001462428769 937640843 /nfs/dbraw/zinc/64/08/43/937640843.db2.gz YUDNWMSMZZILOA-UHFFFAOYSA-N 0 0 265.259 3.012 20 10 CGCDRN Cc1nc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cs1 ZINC001308191441 933069518 /nfs/dbraw/zinc/06/95/18/933069518.db2.gz XIKBOBFZWQFZPX-UHFFFAOYSA-N 0 0 286.759 3.239 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC001308636387 933148573 /nfs/dbraw/zinc/14/85/73/933148573.db2.gz AGQGVDWRTBDKNK-JTQLQIEISA-N 0 0 273.348 3.046 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC001308711672 933162864 /nfs/dbraw/zinc/16/28/64/933162864.db2.gz VFEXCSJTUSACLV-HNNXBMFYSA-N 0 0 295.810 3.437 20 10 CGCDRN C[C@H]1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1F ZINC001308947286 933210017 /nfs/dbraw/zinc/21/00/17/933210017.db2.gz BQUUXXBKLVNJND-RYUDHWBXSA-N 0 0 251.345 3.447 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001308944324 933210291 /nfs/dbraw/zinc/21/02/91/933210291.db2.gz QMGSJKBZLABEMT-NSHDSACASA-N 0 0 299.773 3.234 20 10 CGCDRN CC1(C)CC2(CC([NH2+]Cc3cc(F)c(F)cc3[O-])C2)CO1 ZINC001308968055 933215562 /nfs/dbraw/zinc/21/55/62/933215562.db2.gz GATYZHCEBJKZDQ-UHFFFAOYSA-N 0 0 297.345 3.108 20 10 CGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC001311543428 933302944 /nfs/dbraw/zinc/30/29/44/933302944.db2.gz KHQHIZRWAQCGAB-UKRRQHHQSA-N 0 0 289.423 3.083 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCCc2ccccc21 ZINC001464810767 937695882 /nfs/dbraw/zinc/69/58/82/937695882.db2.gz XLPZLRGTQBOATO-UHFFFAOYSA-N 0 0 297.354 3.010 20 10 CGCDRN Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)[nH]n1 ZINC001319512673 933886411 /nfs/dbraw/zinc/88/64/11/933886411.db2.gz DSHPHJHCXMHLRW-UHFFFAOYSA-N 0 0 297.358 3.219 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC2CCC(C)CC2)c1 ZINC001468270795 937726462 /nfs/dbraw/zinc/72/64/62/937726462.db2.gz RCXNWHODEHMDNZ-UHFFFAOYSA-N 0 0 290.407 3.326 20 10 CGCDRN C[C@@H](NC(=O)c1cnoc1C1CC1)c1ccc(N(C)C)cc1 ZINC001320701170 934091038 /nfs/dbraw/zinc/09/10/38/934091038.db2.gz UKTLPOJDODHCJZ-LLVKDONJSA-N 0 0 299.374 3.109 20 10 CGCDRN CC(=O)c1ccc(CC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001471194607 937762683 /nfs/dbraw/zinc/76/26/83/937762683.db2.gz LZTXZKYLMAXKRT-LBPRGKRZSA-N 0 0 297.354 3.015 20 10 CGCDRN O=C(NCc1cccc(O)c1O)c1cc2ccccc2s1 ZINC001471644118 937767956 /nfs/dbraw/zinc/76/79/56/937767956.db2.gz MWBKZABGGRHYOR-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN CC(C)(C)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001472061792 937772012 /nfs/dbraw/zinc/77/20/12/937772012.db2.gz YCQWUPIEVJUTEZ-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)[C@H](C)C(C)(C)C ZINC001471975619 937771346 /nfs/dbraw/zinc/77/13/46/937771346.db2.gz ABKPHTKVXNBTBE-MNOVXSKESA-N 0 0 281.371 3.466 20 10 CGCDRN CCN1C(=O)/C(=C/c2ccc(F)c(OC)c2)SC1=S ZINC001324407825 934498511 /nfs/dbraw/zinc/49/85/11/934498511.db2.gz GWFYQLUFQKBUPI-XFFZJAGNSA-N 0 0 297.376 3.055 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC/C=C/C1CC1 ZINC001324736812 934560270 /nfs/dbraw/zinc/56/02/70/934560270.db2.gz PZKNINJOQGQJHO-AATRIKPKSA-N 0 0 288.391 3.280 20 10 CGCDRN Cc1occc1C(=O)Nc1c2nonc2ccc1Cl ZINC001326698638 934998888 /nfs/dbraw/zinc/99/88/88/934998888.db2.gz PHBRRMOPLFNUDT-UHFFFAOYSA-N 0 0 277.667 3.030 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328252878 935126992 /nfs/dbraw/zinc/12/69/92/935126992.db2.gz POTOVJMFPWCJLC-AYMMMOKOSA-N 0 0 291.700 3.318 20 10 CGCDRN Cc1ccc(CCNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001330224858 935278112 /nfs/dbraw/zinc/27/81/12/935278112.db2.gz DUHSMXXMNXGNKY-AWEZNQCLSA-N 0 0 298.386 3.304 20 10 CGCDRN O=C(Nc1ccc2cc[nH]c2c1)C1=CC(=O)CS1 ZINC001330736072 935319304 /nfs/dbraw/zinc/31/93/04/935319304.db2.gz VCOHCCOMXZCCFS-UHFFFAOYSA-N 0 0 258.302 3.187 20 10 CGCDRN Cc1cnc(NCc2ccc(N3CCCC3)cc2)o1 ZINC001332196903 935448393 /nfs/dbraw/zinc/44/83/93/935448393.db2.gz BTLRIBSLHVLETQ-UHFFFAOYSA-N 0 0 257.337 3.195 20 10 CGCDRN C[C@@H](CCNC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001335686968 936156378 /nfs/dbraw/zinc/15/63/78/936156378.db2.gz MLAZPWLKOMVZTK-AWEZNQCLSA-N 0 0 297.402 3.262 20 10 CGCDRN Cc1noc(N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC001336443949 936194133 /nfs/dbraw/zinc/19/41/33/936194133.db2.gz GPYQSNBROWJZTK-UHFFFAOYSA-N 0 0 286.379 3.005 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1cnc2ccnn2c1 ZINC001474296931 937848747 /nfs/dbraw/zinc/84/87/47/937848747.db2.gz UGYYMIALXZONER-UHFFFAOYSA-N 0 0 291.358 3.142 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC001474333935 937852030 /nfs/dbraw/zinc/85/20/30/937852030.db2.gz GPYAGXFKOOOAFV-OLZOCXBDSA-N 0 0 263.381 3.125 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001474716184 937876600 /nfs/dbraw/zinc/87/66/00/937876600.db2.gz DXJPTVQWXHYKLB-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001474716050 937876618 /nfs/dbraw/zinc/87/66/18/937876618.db2.gz AMSCDKFGXNSZDN-UHFFFAOYSA-N 0 0 270.307 3.302 20 10 CGCDRN O=C(CCC1CCCCC1)NCc1cccc(O)c1O ZINC001528771750 938069287 /nfs/dbraw/zinc/06/92/87/938069287.db2.gz WWZSXPYKEMYJOP-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN COCCN(C(=O)/C=C/c1ccc(C)nc1)c1ccccc1 ZINC001543327206 938138772 /nfs/dbraw/zinc/13/87/72/938138772.db2.gz YHWIILQWNBKYTJ-ZHACJKMWSA-N 0 0 296.370 3.083 20 10 CGCDRN CCc1ccc(N(CC)C(=O)c2cccc(O)c2O)cc1 ZINC001543400469 938139230 /nfs/dbraw/zinc/13/92/30/938139230.db2.gz ILPRJGWRQIZIFP-UHFFFAOYSA-N 0 0 285.343 3.327 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1coc2cc(O)ccc12 ZINC001545503223 938149757 /nfs/dbraw/zinc/14/97/57/938149757.db2.gz RWRIYWDKSHAYKY-UHFFFAOYSA-N 0 0 297.310 3.116 20 10 CGCDRN O=C(NCc1cc(O)ccc1O)C1(C2CCCCC2)CC1 ZINC001558175312 938213959 /nfs/dbraw/zinc/21/39/59/938213959.db2.gz LRUWKTMKLSCFBA-UHFFFAOYSA-N 0 0 289.375 3.075 20 10 CGCDRN C/C(=C/c1ccc(C)cc1)C(=O)NCc1cc(O)ccc1O ZINC001558175553 938213983 /nfs/dbraw/zinc/21/39/83/938213983.db2.gz VMPKGCURQDHIBG-LCYFTJDESA-N 0 0 297.354 3.126 20 10 CGCDRN CCc1nc(C)cc(NCc2ccc3cccnc3c2O)n1 ZINC001559216851 938222661 /nfs/dbraw/zinc/22/26/61/938222661.db2.gz QDINGLLIQIZJBT-UHFFFAOYSA-N 0 0 294.358 3.213 20 10 CGCDRN Oc1cccc(O)c1CNc1cc(-c2ccccc2)ncn1 ZINC001559287895 938224653 /nfs/dbraw/zinc/22/46/53/938224653.db2.gz ICOJBRCLIRUJLB-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN CCC[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CC1 ZINC001560628077 938267128 /nfs/dbraw/zinc/26/71/28/938267128.db2.gz COKIKQMOQKCBSB-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)c(OC)n2)cc1F ZINC001560746315 938273929 /nfs/dbraw/zinc/27/39/29/938273929.db2.gz TYUCKUHPUIACDV-UHFFFAOYSA-N 0 0 290.338 3.183 20 10 CGCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCCC(=O)[O-] ZINC001594374292 958575986 /nfs/dbraw/zinc/57/59/86/958575986.db2.gz LGXRVSZMJLTXGM-VXGBXAGGSA-N 0 0 277.364 3.093 20 10 CGCDRN CCCC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(=O)[O-] ZINC001595638118 960533928 /nfs/dbraw/zinc/53/39/28/960533928.db2.gz GZXAMZHHXKSINA-GFCCVEGCSA-N 0 0 285.771 3.087 20 10 CGCDRN CC(C)(CNC(=O)NCc1c(O)cccc1F)C1CCC1 ZINC001564771187 960685966 /nfs/dbraw/zinc/68/59/66/960685966.db2.gz RSMWVLVDAAQRRX-UHFFFAOYSA-N 0 0 294.370 3.157 20 10 CGCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001573823161 962281858 /nfs/dbraw/zinc/28/18/58/962281858.db2.gz ZWIZISLJVYCHRJ-HNNXBMFYSA-N 0 0 297.782 3.122 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc(F)ccc2Cl)c1 ZINC001584983643 962974290 /nfs/dbraw/zinc/97/42/90/962974290.db2.gz OBADLFZPECYPAE-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1ccc(C(=O)NC2CCC(C(C)C)CC2)c(O)c1O ZINC001588130191 963250572 /nfs/dbraw/zinc/25/05/72/963250572.db2.gz RVQQHLDWOUKRLU-UHFFFAOYSA-N 0 0 291.391 3.351 20 10 CGCDRN C[C@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1O ZINC001592444776 978105129 /nfs/dbraw/zinc/10/51/29/978105129.db2.gz DTMAFTORJUYSNN-SNVBAGLBSA-N 0 0 299.798 3.415 20 10 CGCDRN CC[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CC1 ZINC001596354184 983814528 /nfs/dbraw/zinc/81/45/28/983814528.db2.gz CDFUZEMRLBWHNB-UHFFFAOYSA-N 0 0 285.343 3.228 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccncc1 ZINC000046983837 345047163 /nfs/dbraw/zinc/04/71/63/345047163.db2.gz CONMSBNMWVWSSN-UHFFFAOYSA-N 0 0 296.374 3.004 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)SC)cc1F ZINC000066841556 345307767 /nfs/dbraw/zinc/30/77/67/345307767.db2.gz AFRDLDHJXJNDOK-NSHDSACASA-N 0 0 298.427 3.040 20 10 CGCDRN COc1ccc(N(CCc2cnn(C)c2)C(C)C)cc1F ZINC000077276349 345565396 /nfs/dbraw/zinc/56/53/96/345565396.db2.gz STRMCBPMUVMIBK-UHFFFAOYSA-N 0 0 291.370 3.025 20 10 CGCDRN COc1cc(F)c([N+](=O)[O-])c(Sc2nccs2)c1 ZINC000092621824 345847291 /nfs/dbraw/zinc/84/72/91/345847291.db2.gz HEPUBXHZJRCHBB-UHFFFAOYSA-N 0 0 286.309 3.350 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCC[C@H]2c2ncon2)c1O ZINC000362043418 346545293 /nfs/dbraw/zinc/54/52/93/346545293.db2.gz FVMUJOQWVNJJOT-LBPRGKRZSA-N 0 0 293.754 3.074 20 10 CGCDRN CC(C)=C(C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000635628645 351677440 /nfs/dbraw/zinc/67/74/40/351677440.db2.gz OUHOBOVDYOUUNG-UHFFFAOYSA-N 0 0 288.391 3.224 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(OC)c(OC)c2)c1 ZINC000020088407 368799109 /nfs/dbraw/zinc/79/91/09/368799109.db2.gz IYGKLASNSZQPFO-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN CCCCSCCC(=O)Nc1ccc(N)cc1 ZINC000036333009 369016833 /nfs/dbraw/zinc/01/68/33/369016833.db2.gz HOGNDBMSWBDKMZ-UHFFFAOYSA-N 0 0 252.383 3.131 20 10 CGCDRN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000091772570 370076468 /nfs/dbraw/zinc/07/64/68/370076468.db2.gz AHIWTFORGQFGOC-LLVKDONJSA-N 0 0 290.190 3.310 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](c2ccco2)C1 ZINC000093841455 370165628 /nfs/dbraw/zinc/16/56/28/370165628.db2.gz SZHFLTSGUIGKLV-HNNXBMFYSA-N 0 0 293.750 3.212 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(F)cc1[O-] ZINC000133979879 371294268 /nfs/dbraw/zinc/29/42/68/371294268.db2.gz LTNQGNJOVJRGDS-YGRLFVJLSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000134143969 371307945 /nfs/dbraw/zinc/30/79/45/371307945.db2.gz RTLCQJJZJYOQEB-SECBINFHSA-N 0 0 290.190 3.310 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccnc1)c1ccc(N(C)C)cc1 ZINC000151089908 371565994 /nfs/dbraw/zinc/56/59/94/371565994.db2.gz VYKBWHPRGKYIKC-KRWDZBQOSA-N 0 0 269.392 3.389 20 10 CGCDRN CN(C)c1ccc(CN[C@@H](C2CC2)C(F)(F)F)cc1 ZINC000288417251 371737463 /nfs/dbraw/zinc/73/74/63/371737463.db2.gz JLDYJMNOXBDRBE-ZDUSSCGKSA-N 0 0 272.314 3.183 20 10 CGCDRN CS[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294966812 372681543 /nfs/dbraw/zinc/68/15/43/372681543.db2.gz FJIODCBKDUNSQL-SECBINFHSA-N 0 0 275.776 3.122 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000170936962 372684488 /nfs/dbraw/zinc/68/44/88/372684488.db2.gz NEJTUBPYDDPXHL-OAHLLOKOSA-N 0 0 298.386 3.003 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000295243261 372716639 /nfs/dbraw/zinc/71/66/39/372716639.db2.gz LVMHIEOKOOUMAY-FRRDWIJNSA-N 0 0 291.391 3.089 20 10 CGCDRN Cc1cc[nH]c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000437186898 372844330 /nfs/dbraw/zinc/84/43/30/372844330.db2.gz WWUDSBMVHSNEAV-UHFFFAOYSA-N 0 0 281.359 3.053 20 10 CGCDRN Cc1cc(C)cc(C2(C(=O)NCc3ccc(N)cc3)CC2)c1 ZINC000297183300 373259001 /nfs/dbraw/zinc/25/90/01/373259001.db2.gz LHGPROMYADOZHA-UHFFFAOYSA-N 0 0 294.398 3.234 20 10 CGCDRN CC[C@H](CC1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC000297340054 373265461 /nfs/dbraw/zinc/26/54/61/373265461.db2.gz YHMXCHBJYWGRJC-OAHLLOKOSA-N 0 0 274.408 3.492 20 10 CGCDRN CC(C)Cc1nsc(NCc2ccc(N(C)C)cc2)n1 ZINC000302237318 373839890 /nfs/dbraw/zinc/83/98/90/373839890.db2.gz KHHWVNIMDDVGOR-UHFFFAOYSA-N 0 0 290.436 3.415 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1OC ZINC000180310592 373988198 /nfs/dbraw/zinc/98/81/98/373988198.db2.gz CEFPVEQPPKEKEV-NWDGAFQWSA-N 0 0 279.380 3.030 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(CO)o2)cc1Cl ZINC000180770644 374044234 /nfs/dbraw/zinc/04/42/34/374044234.db2.gz QVECYJNCMGWUFH-UHFFFAOYSA-N 0 0 281.739 3.070 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(F)cc1[O-] ZINC000185750630 374730209 /nfs/dbraw/zinc/73/02/09/374730209.db2.gz GPFHCZYWZSKWAL-SNVBAGLBSA-N 0 0 294.757 3.473 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000471237130 375003657 /nfs/dbraw/zinc/00/36/57/375003657.db2.gz TYZHQUFEEYBBJO-CABCVRRESA-N 0 0 282.387 3.149 20 10 CGCDRN C[C@H]([NH2+]CCc1ccccc1O)c1ccc(F)c(F)c1[O-] ZINC000187689026 375072607 /nfs/dbraw/zinc/07/26/07/375072607.db2.gz CGNNLHWSIMJMGC-JTQLQIEISA-N 0 0 293.313 3.269 20 10 CGCDRN COc1ccc(N(C)Cc2cncc(C)c2)c(OC)c1 ZINC000189971038 375465376 /nfs/dbraw/zinc/46/53/76/375465376.db2.gz YNALUGRZUZOSKG-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000191603768 375644371 /nfs/dbraw/zinc/64/43/71/375644371.db2.gz QRJQCNDNDHHNHI-HZMBPMFUSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000195601514 376114197 /nfs/dbraw/zinc/11/41/97/376114197.db2.gz BQLBIMHYSWUSRL-AXFHLTTASA-N 0 0 284.450 3.128 20 10 CGCDRN C[C@H](Nc1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000228291437 376432662 /nfs/dbraw/zinc/43/26/62/376432662.db2.gz OQVHIGBUKYVERC-NSHDSACASA-N 0 0 259.328 3.460 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC000268311909 378052746 /nfs/dbraw/zinc/05/27/46/378052746.db2.gz ZMBOBAPOOBXQTA-ZBFHGGJFSA-N 0 0 291.391 3.088 20 10 CGCDRN CCc1ccc(/C=C2/SC(=S)N(CC)C2=O)o1 ZINC000268429445 378058932 /nfs/dbraw/zinc/05/89/32/378058932.db2.gz HYJGBCGWPKZZOV-JXMROGBWSA-N 0 0 267.375 3.063 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C)c1 ZINC000268571543 378076716 /nfs/dbraw/zinc/07/67/16/378076716.db2.gz BXLMPWPRQOZBOG-UHFFFAOYSA-N 0 0 299.418 3.142 20 10 CGCDRN CC1(C)CCC(C(=O)NCc2ccccc2O)CC1 ZINC000269140051 378192233 /nfs/dbraw/zinc/19/22/33/378192233.db2.gz NXOAZENAUJWPCU-UHFFFAOYSA-N 0 0 261.365 3.225 20 10 CGCDRN C[C@@H](CN(C)C(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000269235551 378200394 /nfs/dbraw/zinc/20/03/94/378200394.db2.gz UBGQWRVRHMRPOW-AWEZNQCLSA-N 0 0 282.387 3.073 20 10 CGCDRN Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000271051372 378440338 /nfs/dbraw/zinc/44/03/38/378440338.db2.gz WFKRWNPYMHZGMA-SFHVURJKSA-N 0 0 283.371 3.274 20 10 CGCDRN CC(C)OCCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000271839799 378510392 /nfs/dbraw/zinc/51/03/92/378510392.db2.gz PZVYCNBJHIDCFN-UHFFFAOYSA-N 0 0 271.788 3.293 20 10 CGCDRN CCSCC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273597373 378756696 /nfs/dbraw/zinc/75/66/96/378756696.db2.gz QXGACDJSUHUTHM-GHMZBOCLSA-N 0 0 298.408 3.483 20 10 CGCDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000277076603 379060563 /nfs/dbraw/zinc/06/05/63/379060563.db2.gz JEKVNDMCZBIMNN-VHSXEESVSA-N 0 0 260.303 3.354 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1c1ccsc1 ZINC000731869493 572434117 /nfs/dbraw/zinc/43/41/17/572434117.db2.gz JRSHSCXDDJCHNM-LLVKDONJSA-N 0 0 279.386 3.493 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCCOC ZINC000282404572 379912806 /nfs/dbraw/zinc/91/28/06/379912806.db2.gz FLZCWDGDVKGELC-UHFFFAOYSA-N 0 0 293.407 3.338 20 10 CGCDRN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)CCO)c(O)c1 ZINC000284293484 380138171 /nfs/dbraw/zinc/13/81/71/380138171.db2.gz YEEMXGNNNYPKNE-ZDUSSCGKSA-N 0 0 265.397 3.068 20 10 CGCDRN Cc1noc([C@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000285189194 380144383 /nfs/dbraw/zinc/14/43/83/380144383.db2.gz ROKUEFFMQPKOGL-CQSZACIVSA-N 0 0 287.363 3.038 20 10 CGCDRN CC[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(F)cc1[O-] ZINC000286121932 380162434 /nfs/dbraw/zinc/16/24/34/380162434.db2.gz NSDGOQLPHSXTGD-AWEZNQCLSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000286165561 380169007 /nfs/dbraw/zinc/16/90/07/380169007.db2.gz QBQZIUOASHKOAQ-YGRLFVJLSA-N 0 0 277.343 3.067 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000285960538 380155227 /nfs/dbraw/zinc/15/52/27/380155227.db2.gz GPEOFQLINZUPHO-XUJVJEKNSA-N 0 0 281.371 3.387 20 10 CGCDRN O=C(Nc1nc(C2CC2)cs1)C1=CC(=O)CS1 ZINC000732269893 572456029 /nfs/dbraw/zinc/45/60/29/572456029.db2.gz XAJGBOXSGLZNFM-UHFFFAOYSA-N 0 0 266.347 3.040 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000363845761 382258690 /nfs/dbraw/zinc/25/86/90/382258690.db2.gz BEOVZYYRPAGTCM-YWSWHFDRSA-N 0 0 293.382 3.386 20 10 CGCDRN COc1cccc(CNC(=O)CCCC(C)(C)C)c1O ZINC000105650309 392292197 /nfs/dbraw/zinc/29/21/97/392292197.db2.gz KWXIKLYFTBDNEK-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)c(C)o2)cc1F ZINC000121728239 392416238 /nfs/dbraw/zinc/41/62/38/392416238.db2.gz PCRUSFCGGUDHKE-UHFFFAOYSA-N 0 0 264.300 3.076 20 10 CGCDRN CCc1cc(NCCCSc2nccs2)nc(C)n1 ZINC000302035157 392607646 /nfs/dbraw/zinc/60/76/46/392607646.db2.gz FFALIMWWFMQYAK-UHFFFAOYSA-N 0 0 294.449 3.398 20 10 CGCDRN Cc1ccc(C(=O)N2[C@@H](C)C[C@@H]3CCCC[C@@H]32)c(O)c1O ZINC000177686557 392666346 /nfs/dbraw/zinc/66/63/46/392666346.db2.gz MFMUNSOJDVZYPX-OBJOEFQTSA-N 0 0 289.375 3.199 20 10 CGCDRN CC(C)[C@H](C)SCC(=O)NCc1ccc(N(C)C)cc1 ZINC000172968015 392623651 /nfs/dbraw/zinc/62/36/51/392623651.db2.gz SWRFZXNOGKKWLN-ZDUSSCGKSA-N 0 0 294.464 3.147 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cnn(C(C)C)c1 ZINC000179206328 392690019 /nfs/dbraw/zinc/69/00/19/392690019.db2.gz AWZSGHRCUHPCBM-UHFFFAOYSA-N 0 0 271.364 3.035 20 10 CGCDRN CCCNC(=O)c1ccc(NCc2cc(C)ccc2O)cc1 ZINC000195130716 392957483 /nfs/dbraw/zinc/95/74/83/392957483.db2.gz DXMHAAXAVCUYSY-UHFFFAOYSA-N 0 0 298.386 3.453 20 10 CGCDRN CCO[C@H](C[NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000195188844 392961308 /nfs/dbraw/zinc/96/13/08/392961308.db2.gz GOUCRLJNYCLMKC-QGZVFWFLSA-N 0 0 289.350 3.399 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C)nc1 ZINC000348634993 393124940 /nfs/dbraw/zinc/12/49/40/393124940.db2.gz KSVQZBFMTMOGEY-UHFFFAOYSA-N 0 0 293.370 3.120 20 10 CGCDRN Cc1ccoc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348667313 393126642 /nfs/dbraw/zinc/12/66/42/393126642.db2.gz OTIVHAHDNUOOIQ-UHFFFAOYSA-N 0 0 282.343 3.318 20 10 CGCDRN Nc1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000019397434 170783652 /nfs/dbraw/zinc/78/36/52/170783652.db2.gz CAGHOXVSGDSMHR-UHFFFAOYSA-N 0 0 280.371 3.329 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000028336798 260135594 /nfs/dbraw/zinc/13/55/94/260135594.db2.gz DIQKHZKFVZUSAP-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCC1=CCCC1 ZINC000152062027 261059101 /nfs/dbraw/zinc/05/91/01/261059101.db2.gz RCIAYCAWZDCIFS-UHFFFAOYSA-N 0 0 274.364 3.034 20 10 CGCDRN CC[C@@](C)(NCc1ccc2c(c1)CCO2)c1nccs1 ZINC000152643553 261067523 /nfs/dbraw/zinc/06/75/23/261067523.db2.gz NZVABPKEEHPOOM-MRXNPFEDSA-N 0 0 288.416 3.493 20 10 CGCDRN CC(C)(C)CCCCNC(=O)Cc1ccc(N)cc1 ZINC000156230776 261117515 /nfs/dbraw/zinc/11/75/15/261117515.db2.gz JKDZAEHCYQTNDW-UHFFFAOYSA-N 0 0 262.397 3.144 20 10 CGCDRN C/C=C(\C=C\C(=O)NCc1ccc(N(C)C)cc1)CC ZINC000156818347 261133080 /nfs/dbraw/zinc/13/30/80/261133080.db2.gz QETIFOWUSBTPLV-AYAZTUPFSA-N 0 0 272.392 3.281 20 10 CGCDRN CCCC[C@H](CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183458095 261975800 /nfs/dbraw/zinc/97/58/00/261975800.db2.gz RXLPCEUSNFJRDP-OCCSQVGLSA-N 0 0 293.407 3.361 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1[O-] ZINC000185772173 262069979 /nfs/dbraw/zinc/06/99/79/262069979.db2.gz NZNVAKHPMVPCHW-DVUFPGTOSA-N 0 0 279.355 3.140 20 10 CGCDRN Cc1c(-c2cc(CSc3nccs3)on2)cnn1C ZINC000186044522 262077015 /nfs/dbraw/zinc/07/70/15/262077015.db2.gz ZVJKCLWZLFLITG-UHFFFAOYSA-N 0 0 292.389 3.132 20 10 CGCDRN CC(C)C[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186386668 262091220 /nfs/dbraw/zinc/09/12/20/262091220.db2.gz ZKJBAHQAVKPQEJ-OLZOCXBDSA-N 0 0 293.407 3.217 20 10 CGCDRN Oc1ccccc1CN1CCSC[C@@H]1c1nccs1 ZINC000186640936 262103144 /nfs/dbraw/zinc/10/31/44/262103144.db2.gz YMEJORWVOHJWHQ-GFCCVEGCSA-N 0 0 292.429 3.139 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc(F)c(F)c1 ZINC000492719263 262233192 /nfs/dbraw/zinc/23/31/92/262233192.db2.gz WGHMMBQPWUIAJT-WAYWQWQTSA-N 0 0 294.326 3.406 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c(O)c1O ZINC000272905329 263009746 /nfs/dbraw/zinc/00/97/46/263009746.db2.gz CKBUNXSMGMAQKF-GFCCVEGCSA-N 0 0 289.375 3.059 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000296109932 263186171 /nfs/dbraw/zinc/18/61/71/263186171.db2.gz ZMAVINWQIVFMSC-MNOVXSKESA-N 0 0 277.343 3.160 20 10 CGCDRN CO[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000377273763 268063228 /nfs/dbraw/zinc/06/32/28/268063228.db2.gz RFGXAGKSCAGSGR-SNVBAGLBSA-N 0 0 287.762 3.186 20 10 CGCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000291700916 281246692 /nfs/dbraw/zinc/24/66/92/281246692.db2.gz ZBEQVPBDGSRXIB-ZFWWWQNUSA-N 0 0 295.810 3.435 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H]2CCO[C@@H]21 ZINC000293754460 328277568 /nfs/dbraw/zinc/27/75/68/328277568.db2.gz YLRRDJNUUHWMHT-FZQKWOKYSA-N 0 0 299.773 3.088 20 10 CGCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(N)cc1 ZINC000296878618 328292472 /nfs/dbraw/zinc/29/24/72/328292472.db2.gz FHXQLFFGGCJUOZ-INIZCTEOSA-N 0 0 290.407 3.013 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000529670357 328592825 /nfs/dbraw/zinc/59/28/25/328592825.db2.gz SNXMUORZNVURMB-YDEXJTGXSA-N 0 0 287.762 3.086 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2cccnc2)c2ccc(F)cc2O1 ZINC000255378479 326968189 /nfs/dbraw/zinc/96/81/89/326968189.db2.gz FWDBZCBRFKZDGF-KMSCOEIWSA-N 0 0 298.317 3.048 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000185659050 329328544 /nfs/dbraw/zinc/32/85/44/329328544.db2.gz AIJZITNUSOLRFR-KRWDZBQOSA-N 0 0 287.359 3.060 20 10 CGCDRN CC[C@@H]1C[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000451315763 331024147 /nfs/dbraw/zinc/02/41/47/331024147.db2.gz RXMQTRGPVKHBCA-TZMCWYRMSA-N 0 0 270.376 3.149 20 10 CGCDRN CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1ccccn1 ZINC000074718767 334012307 /nfs/dbraw/zinc/01/23/07/334012307.db2.gz UREIAELVBWMVHI-ZHACJKMWSA-N 0 0 291.354 3.250 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCSC ZINC000077621350 521688084 /nfs/dbraw/zinc/68/80/84/521688084.db2.gz LUAOOMFBDLJGGD-UHFFFAOYSA-N 0 0 296.436 3.067 20 10 CGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C)o2)c1O ZINC000050133839 518283723 /nfs/dbraw/zinc/28/37/23/518283723.db2.gz DRNPHKQLULNTLK-UHFFFAOYSA-N 0 0 291.322 3.267 20 10 CGCDRN CC(C)=CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000276846469 519410110 /nfs/dbraw/zinc/41/01/10/519410110.db2.gz ISGIUYGGLCSXAM-UHFFFAOYSA-N 0 0 299.418 3.218 20 10 CGCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC000297247523 519796016 /nfs/dbraw/zinc/79/60/16/519796016.db2.gz QIYLQFYQKBIMGR-GOSISDBHSA-N 0 0 296.414 3.400 20 10 CGCDRN CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000192806932 519896038 /nfs/dbraw/zinc/89/60/38/519896038.db2.gz XRGBUKVLVYRLPX-UHFFFAOYSA-N 0 0 297.402 3.114 20 10 CGCDRN CCN(C)c1ccc([C@H](C)NCc2nccs2)cc1 ZINC000128140971 520288745 /nfs/dbraw/zinc/28/87/45/520288745.db2.gz JFYWCHJIICANCX-LBPRGKRZSA-N 0 0 275.421 3.450 20 10 CGCDRN CCN(Cc1cnc(C)s1)c1ccc(OC)cc1 ZINC000299378983 521432362 /nfs/dbraw/zinc/43/23/62/521432362.db2.gz NDHNDRKIPJXAPI-UHFFFAOYSA-N 0 0 262.378 3.487 20 10 CGCDRN CCOc1ccccc1NCc1cc(OC)ccc1O ZINC000020087364 521553744 /nfs/dbraw/zinc/55/37/44/521553744.db2.gz QGTDRPYAWOEHKY-UHFFFAOYSA-N 0 0 273.332 3.412 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1 ZINC000299673056 521689851 /nfs/dbraw/zinc/68/98/51/521689851.db2.gz RCECUZXNCYGYNA-UHFFFAOYSA-N 0 0 284.359 3.148 20 10 CGCDRN CC[C@H]([NH2+]CC(C)(C)COC)c1ccc(F)cc1[O-] ZINC000293276219 522569248 /nfs/dbraw/zinc/56/92/48/522569248.db2.gz CPVWVLBYRRMZDE-ZDUSSCGKSA-N 0 0 269.360 3.245 20 10 CGCDRN COCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000044655960 523174795 /nfs/dbraw/zinc/17/47/95/523174795.db2.gz KNAVLHXDKSTTSA-UHFFFAOYSA-N 0 0 278.179 3.215 20 10 CGCDRN CO[C@](C)(C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000291278091 524027660 /nfs/dbraw/zinc/02/76/60/524027660.db2.gz RAZOWNSWRPRUCC-RFAUZJTJSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@H]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000056817894 524135199 /nfs/dbraw/zinc/13/51/99/524135199.db2.gz TTYIJCLECLRWJQ-UONOGXRCSA-N 0 0 290.407 3.360 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2ccccc2O)s1 ZINC000290663530 524297981 /nfs/dbraw/zinc/29/79/81/524297981.db2.gz SGXLBFYGROAHKK-UHFFFAOYSA-N 0 0 275.373 3.011 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(F)nc2C)cc1F ZINC000278790282 524352863 /nfs/dbraw/zinc/35/28/63/524352863.db2.gz VRUXEDCJACOORN-UHFFFAOYSA-N 0 0 278.302 3.313 20 10 CGCDRN C[C@@H](CC1CCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000237485806 524432902 /nfs/dbraw/zinc/43/29/02/524432902.db2.gz KKFDPECJEPNIGJ-ZDUSSCGKSA-N 0 0 274.408 3.144 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(CC(C)C)c2)c1 ZINC000273452895 524769441 /nfs/dbraw/zinc/76/94/41/524769441.db2.gz GNGSJWAYFFCEFO-GFCCVEGCSA-N 0 0 289.379 3.426 20 10 CGCDRN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cccc(Cl)c1[O-] ZINC000289905124 525091484 /nfs/dbraw/zinc/09/14/84/525091484.db2.gz URCGLLJVKQUDQB-WFASDCNBSA-N 0 0 294.826 3.104 20 10 CGCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000237638608 525396246 /nfs/dbraw/zinc/39/62/46/525396246.db2.gz GLAUKKCYGIPACE-ZWKOTPCHSA-N 0 0 294.398 3.040 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273369841 525482342 /nfs/dbraw/zinc/48/23/42/525482342.db2.gz FUMWUGZODOIDLG-BDAKNGLRSA-N 0 0 290.190 3.386 20 10 CGCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000129498892 525881993 /nfs/dbraw/zinc/88/19/93/525881993.db2.gz DTKZLIZYUHJLRK-CYBMUJFWSA-N 0 0 290.190 3.046 20 10 CGCDRN Cc1cc(C(=O)N2CCC=C(C)C2)c(C)n1-c1ccccn1 ZINC000280605322 526241686 /nfs/dbraw/zinc/24/16/86/526241686.db2.gz CUEYZCCFBUFKTI-UHFFFAOYSA-N 0 0 295.386 3.281 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292807123 526326830 /nfs/dbraw/zinc/32/68/30/526326830.db2.gz OGTUXFJMDKCFLC-AWEZNQCLSA-N 0 0 295.810 3.294 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000276697521 526331292 /nfs/dbraw/zinc/33/12/92/526331292.db2.gz DSMQGOUAYLYTBU-AWEZNQCLSA-N 0 0 291.297 3.284 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000036798974 527475737 /nfs/dbraw/zinc/47/57/37/527475737.db2.gz AXXNAIQFSRGOSA-QGZVFWFLSA-N 0 0 280.371 3.175 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000279387680 527524264 /nfs/dbraw/zinc/52/42/64/527524264.db2.gz LBRUPGKRMKONTM-UHFFFAOYSA-N 0 0 295.810 3.078 20 10 CGCDRN Cc1cscc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000749391333 571701336 /nfs/dbraw/zinc/70/13/36/571701336.db2.gz KIGSGZIFOKTRLP-UHFFFAOYSA-N 0 0 288.416 3.361 20 10 CGCDRN Cc1cc(NC(=O)NCc2ccccc2O)ccc1F ZINC000728691421 571815531 /nfs/dbraw/zinc/81/55/31/571815531.db2.gz GFMYOPFWFRVQAW-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN Cc1ccccc1CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000728804322 571826883 /nfs/dbraw/zinc/82/68/83/571826883.db2.gz FISNOCMMAXCZDQ-UHFFFAOYSA-N 0 0 296.414 3.310 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccoc1C ZINC000750861905 572330331 /nfs/dbraw/zinc/33/03/31/572330331.db2.gz LNHKSYHQUNPPDP-UHFFFAOYSA-N 0 0 273.332 3.346 20 10 CGCDRN COc1ccc(N(Cc2cnc(C)cn2)C(C)C)cc1F ZINC000725816596 572416211 /nfs/dbraw/zinc/41/62/11/572416211.db2.gz ZPYDZNYIDGHUBI-UHFFFAOYSA-N 0 0 289.354 3.348 20 10 CGCDRN CCN(CCc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000732268126 572455561 /nfs/dbraw/zinc/45/55/61/572455561.db2.gz CBIZQCXIGASVGU-UHFFFAOYSA-N 0 0 275.373 3.159 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)C2=CC(=O)CS2)s1 ZINC000732276359 572456785 /nfs/dbraw/zinc/45/67/85/572456785.db2.gz HWHFMBQTKATKSK-QMMMGPOBSA-N 0 0 267.375 3.315 20 10 CGCDRN O=C(NCCCc1cccc(Cl)c1)C1=CC(=O)CS1 ZINC000732278825 572458007 /nfs/dbraw/zinc/45/80/07/572458007.db2.gz CJERSVTXFADKQJ-UHFFFAOYSA-N 0 0 295.791 3.470 20 10 CGCDRN CCCCc1noc([C@H](C)OC(=O)C2=CC(=O)CS2)n1 ZINC000732353452 572461309 /nfs/dbraw/zinc/46/13/09/572461309.db2.gz PKOUPBDQDGCMGQ-QMMMGPOBSA-N 0 0 296.348 3.097 20 10 CGCDRN CCC[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740903693 572468770 /nfs/dbraw/zinc/46/87/70/572468770.db2.gz RRHSYUBIHJASRN-CQSZACIVSA-N 0 0 287.407 3.051 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccnc(C)n2)cc1F ZINC000742405437 572577294 /nfs/dbraw/zinc/57/72/94/572577294.db2.gz JOHYDTMTWCEFSZ-UHFFFAOYSA-N 0 0 288.370 3.382 20 10 CGCDRN CCCN(C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000734687719 572675149 /nfs/dbraw/zinc/67/51/49/572675149.db2.gz SOVKNSUOAYJSLQ-UHFFFAOYSA-N 0 0 289.423 3.145 20 10 CGCDRN CCN(CC(C)C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000734687118 572675374 /nfs/dbraw/zinc/67/53/74/572675374.db2.gz IZUXHUFHALLPRH-UHFFFAOYSA-N 0 0 291.439 3.249 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(F)c1 ZINC000743716954 572680405 /nfs/dbraw/zinc/68/04/05/572680405.db2.gz CPTBHJCLWUGZOX-UHFFFAOYSA-N 0 0 299.345 3.340 20 10 CGCDRN CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000735086045 572699826 /nfs/dbraw/zinc/69/98/26/572699826.db2.gz NTBGZWYFTUQFIH-UHFFFAOYSA-N 0 0 291.372 3.207 20 10 CGCDRN C[C@@H](COC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000735143659 572705181 /nfs/dbraw/zinc/70/51/81/572705181.db2.gz IZZHDWHVZSVLGQ-JTQLQIEISA-N 0 0 262.330 3.414 20 10 CGCDRN COc1ccc(N(CC(C)C)CC2(C)COC2)cc1 ZINC000744395666 572749087 /nfs/dbraw/zinc/74/90/87/572749087.db2.gz UOPWPCKLNLLVFH-UHFFFAOYSA-N 0 0 263.381 3.194 20 10 CGCDRN O=C(N[C@H](Cc1ccccc1)C1CC1)C1=CC(=O)CS1 ZINC000736727932 572807206 /nfs/dbraw/zinc/80/72/06/572807206.db2.gz XIJUBKLHWNCRLM-CQSZACIVSA-N 0 0 287.384 3.205 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000745789054 572837170 /nfs/dbraw/zinc/83/71/70/572837170.db2.gz AFVFZXCEFDHIRP-VNHYZAJKSA-N 0 0 288.391 3.160 20 10 CGCDRN CCN(Cc1nc(C)c(C)o1)c1ccc(OC)cc1 ZINC000746107503 572852612 /nfs/dbraw/zinc/85/26/12/572852612.db2.gz JPDLURWIEGGIMR-UHFFFAOYSA-N 0 0 260.337 3.327 20 10 CGCDRN CCc1cccc2c1N(C(=O)/C=C/c1cccnc1)CC2 ZINC000746790952 572896389 /nfs/dbraw/zinc/89/63/89/572896389.db2.gz QOAYYGGANDMRRQ-CMDGGOBGSA-N 0 0 278.355 3.247 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccon2)cc1 ZINC000747335360 572925828 /nfs/dbraw/zinc/92/58/28/572925828.db2.gz RKJVERUGPFVSNZ-UHFFFAOYSA-N 0 0 295.342 3.012 20 10 CGCDRN CCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747390961 572928014 /nfs/dbraw/zinc/92/80/14/572928014.db2.gz VYHOWZAPLHNDMS-UHFFFAOYSA-N 0 0 290.794 3.426 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(-n2cccc2)cc1 ZINC000748354217 572975085 /nfs/dbraw/zinc/97/50/85/572975085.db2.gz WUAHFQBWFBFGPJ-UHFFFAOYSA-N 0 0 292.338 3.113 20 10 CGCDRN Cc1cc(C)nc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000749271570 572991414 /nfs/dbraw/zinc/99/14/14/572991414.db2.gz GYQUBWTYQBOEAA-UHFFFAOYSA-N 0 0 296.418 3.328 20 10 CGCDRN CCONC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000749564529 573019935 /nfs/dbraw/zinc/01/99/35/573019935.db2.gz DBPCNXNFHWQNRX-UHFFFAOYSA-N 0 0 272.348 3.084 20 10 CGCDRN O=C([O-])CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000819460049 597264586 /nfs/dbraw/zinc/26/45/86/597264586.db2.gz NKVPAUKQEPFRJZ-UHFFFAOYSA-N 0 0 285.343 3.014 20 10 CGCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(C)c(C)cc1O ZINC000828799926 601261375 /nfs/dbraw/zinc/26/13/75/601261375.db2.gz ODOXDGWDAWLEMF-UHFFFAOYSA-N 0 0 279.380 3.132 20 10 CGCDRN CC(=O)CC(C)(C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759412 617815408 /nfs/dbraw/zinc/81/54/08/617815408.db2.gz KZPGNWAPGLQFGY-UHFFFAOYSA-N 0 0 297.782 3.057 20 10 CGCDRN COC1(C(=O)NCc2cccc(Cl)c2O)CCCCC1 ZINC000890759765 617816366 /nfs/dbraw/zinc/81/63/66/617816366.db2.gz QQTUPHFKIAQACX-UHFFFAOYSA-N 0 0 297.782 3.011 20 10 CGCDRN C[C@H](CC(=O)NCc1cccc(Cl)c1O)c1ccco1 ZINC000890761737 617817411 /nfs/dbraw/zinc/81/74/11/617817411.db2.gz WHYJZYKTBLAYGK-SNVBAGLBSA-N 0 0 293.750 3.449 20 10 CGCDRN C[C@]1(C(=O)NCc2cccc(Cl)c2O)C[C@H]2C[C@H]2C1 ZINC000890761256 617817486 /nfs/dbraw/zinc/81/74/86/617817486.db2.gz OBMIJKBWSPGRME-HBYGRHMLSA-N 0 0 279.767 3.098 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCC12CC2 ZINC000890762455 617818029 /nfs/dbraw/zinc/81/80/29/617818029.db2.gz CZAGUVGRBXRZQP-NSHDSACASA-N 0 0 279.767 3.242 20 10 CGCDRN Cc1ccccc1NC(=O)N(C)Cc1ccccc1O ZINC000047321652 618043507 /nfs/dbraw/zinc/04/35/07/618043507.db2.gz COYNXVNSQFCRHO-UHFFFAOYSA-N 0 0 270.332 3.365 20 10 CGCDRN C[C@@H](NC(=O)Nc1ccns1)c1ccc(N(C)C)cc1 ZINC000889110217 618141114 /nfs/dbraw/zinc/14/11/14/618141114.db2.gz PMOKRWNIHYXBFA-SNVBAGLBSA-N 0 0 290.392 3.092 20 10 CGCDRN CN(c1ccc(CNC(=O)CCF)cc1)C1CCCCC1 ZINC000900405124 620785872 /nfs/dbraw/zinc/78/58/72/620785872.db2.gz GCHLIWBWWYTXCY-UHFFFAOYSA-N 0 0 292.398 3.431 20 10 CGCDRN COc1cccc(CNc2cc(C)cc(F)c2)c1O ZINC000091509671 618678242 /nfs/dbraw/zinc/67/82/42/618678242.db2.gz BNLUJDCMMQOVTF-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN COc1ccc(N(C)Cc2cnc3ccccn23)cc1F ZINC000162022811 618736066 /nfs/dbraw/zinc/73/60/66/618736066.db2.gz FPGBTGGLUMRUCM-UHFFFAOYSA-N 0 0 285.322 3.118 20 10 CGCDRN O=C1O[C@H](CSc2ncc(Cl)s2)CC12CCC2 ZINC000850000400 618753926 /nfs/dbraw/zinc/75/39/26/618753926.db2.gz TXPJNHUVYUQQEQ-ZETCQYMHSA-N 0 0 289.809 3.374 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000235349794 618770349 /nfs/dbraw/zinc/77/03/49/618770349.db2.gz WOEIBTBEFCUQHR-NEPJUHHUSA-N 0 0 261.369 3.217 20 10 CGCDRN Cc1cccc2c1CCN2C(=O)/C=C\c1cncc(F)c1 ZINC000255886572 618849044 /nfs/dbraw/zinc/84/90/44/618849044.db2.gz AJWPQNHXFWWADS-WAYWQWQTSA-N 0 0 282.318 3.132 20 10 CGCDRN CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000094330405 618916472 /nfs/dbraw/zinc/91/64/72/618916472.db2.gz YMFDQRWLYGWOCB-ZDUSSCGKSA-N 0 0 261.369 3.359 20 10 CGCDRN CCc1oc(C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000159012954 619006387 /nfs/dbraw/zinc/00/63/87/619006387.db2.gz NJTGEOINQLLNMF-UHFFFAOYSA-N 0 0 286.375 3.146 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(C#N)c2C)c1 ZINC000181452717 619025283 /nfs/dbraw/zinc/02/52/83/619025283.db2.gz SVWNJXFRBACSHK-UHFFFAOYSA-N 0 0 268.316 3.193 20 10 CGCDRN CCOc1cccc(CN2CCOc3ccccc32)c1O ZINC000182120494 619032471 /nfs/dbraw/zinc/03/24/71/619032471.db2.gz GJSQSMWYJDFFGJ-UHFFFAOYSA-N 0 0 285.343 3.190 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(C)cc1 ZINC000186441869 619070301 /nfs/dbraw/zinc/07/03/01/619070301.db2.gz PFXQBDWHGRCPOU-CMDGGOBGSA-N 0 0 272.373 3.436 20 10 CGCDRN O=[N+]([O-])c1cnc(Sc2ccc(F)cc2)s1 ZINC000195505414 619149902 /nfs/dbraw/zinc/14/99/02/619149902.db2.gz NCHNNSYFNLSIQQ-UHFFFAOYSA-N 0 0 256.283 3.342 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC(F)(F)F ZINC000162868930 619221138 /nfs/dbraw/zinc/22/11/38/619221138.db2.gz OVDKNTNIFSVROH-UHFFFAOYSA-N 0 0 253.651 3.088 20 10 CGCDRN Cc1ccccc1NC1=NC(=O)C(=Cc2cccnc2)S1 ZINC000005854828 619240550 /nfs/dbraw/zinc/24/05/50/619240550.db2.gz IEQLFSOUFBCJPO-NTEUORMPSA-N 0 0 295.367 3.472 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000219899576 619246117 /nfs/dbraw/zinc/24/61/17/619246117.db2.gz FOLDFXGODLYNHN-KCJUWKMLSA-N 0 0 290.190 3.356 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCc3ccc(F)cc32)c1 ZINC000178556281 619280131 /nfs/dbraw/zinc/28/01/31/619280131.db2.gz WRJOAABSQMUEON-GORDUTHDSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1ccc(O)c(CN[C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000237452470 619308118 /nfs/dbraw/zinc/30/81/18/619308118.db2.gz BDLPAODDDAVJKH-LLVKDONJSA-N 0 0 289.379 3.232 20 10 CGCDRN COc1cc(C)cc(CNc2cncc(C)c2)c1O ZINC000894358083 619503087 /nfs/dbraw/zinc/50/30/87/619503087.db2.gz BHCPHBVYUQSPSX-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN CCc1nc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cs1 ZINC000185397123 625355887 /nfs/dbraw/zinc/35/58/87/625355887.db2.gz QIUBHOUECXNZMD-SECBINFHSA-N 0 0 280.368 3.401 20 10 CGCDRN FCCOc1ccccc1NCc1nccn1C1CC1 ZINC000894668262 619599347 /nfs/dbraw/zinc/59/93/47/619599347.db2.gz ORIFBNDSVVXHFQ-UHFFFAOYSA-N 0 0 275.327 3.178 20 10 CGCDRN CCn1cncc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000841869190 619700496 /nfs/dbraw/zinc/70/04/96/619700496.db2.gz ZTLLFIJZGNVVQU-UHFFFAOYSA-N 0 0 279.771 3.201 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)s1 ZINC000049149328 619703487 /nfs/dbraw/zinc/70/34/87/619703487.db2.gz UGEVRFGHWCAQBY-LLVKDONJSA-N 0 0 274.389 3.059 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cccnc1F ZINC000793279634 619713143 /nfs/dbraw/zinc/71/31/43/619713143.db2.gz FNEDADQFLJCWKE-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN CCN(Cc1nccs1)Cc1ccc(N(C)C)cc1 ZINC000749515812 619736269 /nfs/dbraw/zinc/73/62/69/619736269.db2.gz XELHBOMIHCTGOO-UHFFFAOYSA-N 0 0 275.421 3.231 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CC[C@H]2C(F)F)cc1 ZINC000895430772 619825152 /nfs/dbraw/zinc/82/51/52/619825152.db2.gz HARPCENGUJNKGT-XGACYXMMSA-N 0 0 266.335 3.105 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000895841216 619891974 /nfs/dbraw/zinc/89/19/74/619891974.db2.gz ADPDYUMAKLBNLK-BLLLJJGKSA-N 0 0 295.810 3.355 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000896638836 620041461 /nfs/dbraw/zinc/04/14/61/620041461.db2.gz CEHQUQAKHSKTMK-LBPRGKRZSA-N 0 0 279.355 3.113 20 10 CGCDRN CC(C)Cc1ccc(C[NH2+]Cc2c([O-])cccc2F)cn1 ZINC000896639590 620041654 /nfs/dbraw/zinc/04/16/54/620041654.db2.gz MEXRQKMDTAUMMO-UHFFFAOYSA-N 0 0 288.366 3.415 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 ZINC000082609086 625407703 /nfs/dbraw/zinc/40/77/03/625407703.db2.gz VOTHRUSITHJZQC-UHFFFAOYSA-N 0 0 264.369 3.120 20 10 CGCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CC1(C)C ZINC000864050668 620359632 /nfs/dbraw/zinc/35/96/32/620359632.db2.gz MYNJGTDUGDUXAI-SNVBAGLBSA-N 0 0 255.308 3.148 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000898252533 620498025 /nfs/dbraw/zinc/49/80/25/620498025.db2.gz DLSSNTPORDOIIM-UFGOTCBOSA-N 0 0 294.782 3.033 20 10 CGCDRN CC(C)C(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898272270 620502398 /nfs/dbraw/zinc/50/23/98/620502398.db2.gz COFLGXPEVKBGLV-UHFFFAOYSA-N 0 0 293.388 3.477 20 10 CGCDRN COC(C)(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000866504408 620536593 /nfs/dbraw/zinc/53/65/93/620536593.db2.gz GJNLUKNPGTZLFF-SECBINFHSA-N 0 0 273.323 3.136 20 10 CGCDRN COc1cccc(C(=O)CSc2nccs2)c1 ZINC000040677243 620543396 /nfs/dbraw/zinc/54/33/96/620543396.db2.gz IFQCOMPOICGJKU-UHFFFAOYSA-N 0 0 265.359 3.127 20 10 CGCDRN Cc1cc(C(=O)CSc2nccs2)c(C)[nH]1 ZINC000040677217 620543570 /nfs/dbraw/zinc/54/35/70/620543570.db2.gz QVVSZLKAIPPFHH-UHFFFAOYSA-N 0 0 252.364 3.063 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](C)c1ccccc1 ZINC000185789649 625441293 /nfs/dbraw/zinc/44/12/93/625441293.db2.gz FIUVVVBEPHDBLC-VXGBXAGGSA-N 0 0 285.343 3.020 20 10 CGCDRN Cc1ccc(O)c(CNc2cnc(CC3CC3)nc2)c1 ZINC000902261857 621215369 /nfs/dbraw/zinc/21/53/69/621215369.db2.gz UZNDRRKYWWSWOW-UHFFFAOYSA-N 0 0 269.348 3.055 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)N1CCCCCC1 ZINC000903045883 621553942 /nfs/dbraw/zinc/55/39/42/621553942.db2.gz QXQRTKIZXMDXGD-UHFFFAOYSA-N 0 0 282.771 3.131 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1cc(F)cc(F)c1[O-] ZINC000903251278 621641056 /nfs/dbraw/zinc/64/10/56/621641056.db2.gz HIBCGWICBHLNTA-TURKWSHLSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cc(F)cc(F)c1[O-] ZINC000903285016 621651975 /nfs/dbraw/zinc/65/19/75/621651975.db2.gz ZZGWSKFYIRWMAD-BHLAQZFUSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cc(F)cc(F)c1[O-] ZINC000903285019 621652393 /nfs/dbraw/zinc/65/23/93/621652393.db2.gz ZZGWSKFYIRWMAD-LJIJBERFSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cncs1 ZINC000903305377 621679070 /nfs/dbraw/zinc/67/90/70/621679070.db2.gz LKUGVBMVONEQSS-IUCAKERBSA-N 0 0 266.341 3.400 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903393851 621719380 /nfs/dbraw/zinc/71/93/80/621719380.db2.gz URSWOILFMMDUHA-RGNHYFCHSA-N 0 0 290.190 3.385 20 10 CGCDRN CCC[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910953423 622509813 /nfs/dbraw/zinc/50/98/13/622509813.db2.gz AYLMHWDIILIRAH-MRXNPFEDSA-N 0 0 299.370 3.298 20 10 CGCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)CC(C)(C)C ZINC000910951630 622509983 /nfs/dbraw/zinc/50/99/83/622509983.db2.gz JJZONGNKAFNTIG-LLVKDONJSA-N 0 0 279.380 3.176 20 10 CGCDRN CCCC[C@@H](CC)CC(=O)NCc1ccc(O)cc1O ZINC000910950805 622510179 /nfs/dbraw/zinc/51/01/79/622510179.db2.gz JKZCZNKBJUEVHS-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000150730076 622656971 /nfs/dbraw/zinc/65/69/71/622656971.db2.gz ZRKBPTAUAOQZGZ-KRWDZBQOSA-N 0 0 285.387 3.125 20 10 CGCDRN CCOc1ccc(N(C)Cc2cnc(C)s2)cc1 ZINC000150733472 622658200 /nfs/dbraw/zinc/65/82/00/622658200.db2.gz NAZDEDOKBKTZMB-UHFFFAOYSA-N 0 0 262.378 3.487 20 10 CGCDRN [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000044539677 622793546 /nfs/dbraw/zinc/79/35/46/622793546.db2.gz KYAHUPLSKAEBQU-NSHDSACASA-N 0 0 289.206 3.012 20 10 CGCDRN C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1F ZINC000816564986 625595202 /nfs/dbraw/zinc/59/52/02/625595202.db2.gz XMLQHTKSZGEGQT-PELKAZGASA-N 0 0 275.726 3.365 20 10 CGCDRN Cc1cccc(CNc2ccc(C(=O)N(C)C)cc2)c1O ZINC000164956452 622852707 /nfs/dbraw/zinc/85/27/07/622852707.db2.gz MNURQQVWFONACY-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN CCC1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000165459681 622863140 /nfs/dbraw/zinc/86/31/40/622863140.db2.gz LJOVAJJHTRKIIE-UHFFFAOYSA-N 0 0 284.197 3.435 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000225875357 622934124 /nfs/dbraw/zinc/93/41/24/622934124.db2.gz VRDGRQIMFPLSJV-GFCCVEGCSA-N 0 0 272.396 3.222 20 10 CGCDRN COCc1ccccc1NCc1cc(F)ccc1O ZINC000226581312 622984272 /nfs/dbraw/zinc/98/42/72/622984272.db2.gz CLGSDJXWOONFAG-UHFFFAOYSA-N 0 0 261.296 3.290 20 10 CGCDRN CCNC(=O)c1cccc(NCc2cccc(C)c2O)c1 ZINC000158054751 622994900 /nfs/dbraw/zinc/99/49/00/622994900.db2.gz KRBLTUTZGIRRMY-UHFFFAOYSA-N 0 0 284.359 3.062 20 10 CGCDRN CCCCOCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168732238 623013275 /nfs/dbraw/zinc/01/32/75/623013275.db2.gz AEQLUMDCTUVNTP-LBPRGKRZSA-N 0 0 269.360 3.389 20 10 CGCDRN Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000168735614 623013511 /nfs/dbraw/zinc/01/35/11/623013511.db2.gz PRLOCLCRZCNPQM-ZDUSSCGKSA-N 0 0 291.370 3.086 20 10 CGCDRN CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228561003 623063194 /nfs/dbraw/zinc/06/31/94/623063194.db2.gz YGIWSMJLHMDDLC-CYBMUJFWSA-N 0 0 299.798 3.055 20 10 CGCDRN CC(C)[C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000172508982 623252348 /nfs/dbraw/zinc/25/23/48/623252348.db2.gz KKDWRTVATPEQPQ-CQSZACIVSA-N 0 0 291.439 3.186 20 10 CGCDRN CC(C)(CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000231404123 623318602 /nfs/dbraw/zinc/31/86/02/623318602.db2.gz IQRSTNPYFNKYQN-UHFFFAOYSA-N 0 0 292.206 3.197 20 10 CGCDRN CC[C@H](C)CN(CCOC)c1ccc(OC)c(OC)c1 ZINC000088535096 623466823 /nfs/dbraw/zinc/46/68/23/623466823.db2.gz OEWYQYVLABKWII-ZDUSSCGKSA-N 0 0 281.396 3.203 20 10 CGCDRN CCc1cccc(CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000151958638 623593623 /nfs/dbraw/zinc/59/36/23/623593623.db2.gz HOEQEAHJFSVNRI-UHFFFAOYSA-N 0 0 296.414 3.174 20 10 CGCDRN C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000152841311 623724785 /nfs/dbraw/zinc/72/47/85/623724785.db2.gz FMCRSYHEZZFWRA-TZMCWYRMSA-N 0 0 292.398 3.334 20 10 CGCDRN C[C@H]1CCC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000152841408 623725733 /nfs/dbraw/zinc/72/57/33/623725733.db2.gz FMCRSYHEZZFWRA-GXTWGEPZSA-N 0 0 292.398 3.334 20 10 CGCDRN CN(Cc1ccccc1F)C(=O)CSc1nccs1 ZINC000915656572 624017390 /nfs/dbraw/zinc/01/73/90/624017390.db2.gz QZDYLWLPJWQFEO-UHFFFAOYSA-N 0 0 296.392 3.033 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)Cc2ccccc21 ZINC000915839743 624041046 /nfs/dbraw/zinc/04/10/46/624041046.db2.gz MOZPGDOJNBGCDM-LBPRGKRZSA-N 0 0 297.354 3.240 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)=C2CCCC2)c1 ZINC000153865443 624115430 /nfs/dbraw/zinc/11/54/30/624115430.db2.gz PVESMOYJLGULOI-GFCCVEGCSA-N 0 0 289.375 3.469 20 10 CGCDRN CCCCNC(=S)NCc1ccc(N(CC)CC)cc1 ZINC000917576135 624290500 /nfs/dbraw/zinc/29/05/00/624290500.db2.gz LKEPIKPTVQFLQT-UHFFFAOYSA-N 0 0 293.480 3.297 20 10 CGCDRN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)[C@@H]1C ZINC000154557311 624316505 /nfs/dbraw/zinc/31/65/05/624316505.db2.gz OTJJNVULHLRZLT-GHMZBOCLSA-N 0 0 299.465 3.065 20 10 CGCDRN CCCN(Cc1cccc(C)c1O)CC(F)(F)F ZINC000124552035 634388876 /nfs/dbraw/zinc/38/88/76/634388876.db2.gz FOJSCRBENKXVHY-UHFFFAOYSA-N 0 0 261.287 3.475 20 10 CGCDRN c1csc(Sc2ccc3c(c2)OCCO3)n1 ZINC000920962988 624557151 /nfs/dbraw/zinc/55/71/51/624557151.db2.gz DZNRGMKZVBYGRC-UHFFFAOYSA-N 0 0 251.332 3.066 20 10 CGCDRN COc1cccc(CNC(=O)C(C)(C)CC(C)C)c1O ZINC000175542130 624644412 /nfs/dbraw/zinc/64/44/12/624644412.db2.gz CNJXUHKATSZQSP-UHFFFAOYSA-N 0 0 279.380 3.089 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC(C)(C)C2)c1[O-] ZINC000070259427 624990414 /nfs/dbraw/zinc/99/04/14/624990414.db2.gz IVLBCZZYAUBVQL-UHFFFAOYSA-N 0 0 279.355 3.356 20 10 CGCDRN CCc1ccc(NC(=S)NCc2cc(C)ccn2)cc1 ZINC000243784508 625021670 /nfs/dbraw/zinc/02/16/70/625021670.db2.gz QHFCGDKTCYBXQM-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(F)cc1[O-] ZINC000183949041 625179485 /nfs/dbraw/zinc/17/94/85/625179485.db2.gz CXDROQKVWNFTGH-ZDUSSCGKSA-N 0 0 294.414 3.304 20 10 CGCDRN CCSc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000184540317 625245312 /nfs/dbraw/zinc/24/53/12/625245312.db2.gz WCJOVZJNVXFDDM-YFHOEESVSA-N 0 0 281.427 3.287 20 10 CGCDRN CCCn1cc(N[C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000186339851 625790736 /nfs/dbraw/zinc/79/07/36/625790736.db2.gz SPISCEZURXAASH-NSHDSACASA-N 0 0 275.352 3.180 20 10 CGCDRN CCCn1cc(N[C@H](C)c2cc(F)ccc2O)cn1 ZINC000186340231 625791176 /nfs/dbraw/zinc/79/11/76/625791176.db2.gz PPROPPQSPPRBRV-SNVBAGLBSA-N 0 0 263.316 3.311 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cnn(CC3CC3)c2)c(O)c1 ZINC000186358569 625796183 /nfs/dbraw/zinc/79/61/83/625796183.db2.gz JAQBRBDFGHVDTA-GFCCVEGCSA-N 0 0 271.364 3.480 20 10 CGCDRN Cc1nc(CNCc2ccc3c(c2)CCCO3)sc1C ZINC000921802906 625880826 /nfs/dbraw/zinc/88/08/26/625880826.db2.gz FNBISYRBNHSGJH-UHFFFAOYSA-N 0 0 288.416 3.375 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000756355869 625899131 /nfs/dbraw/zinc/89/91/31/625899131.db2.gz XGAQCHIDAPQLHJ-LBPRGKRZSA-N 0 0 285.343 3.030 20 10 CGCDRN Cc1cccc(CNc2ccc3n[nH]cc3c2)c1O ZINC000124639073 634472503 /nfs/dbraw/zinc/47/25/03/634472503.db2.gz HGFOMIDPMNHGOU-UHFFFAOYSA-N 0 0 253.305 3.189 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccsc1 ZINC000124685333 634484576 /nfs/dbraw/zinc/48/45/76/634484576.db2.gz JHQCMJPGXHCOGK-UHFFFAOYSA-N 0 0 267.781 3.439 20 10 CGCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCCCC1 ZINC000873902126 634491562 /nfs/dbraw/zinc/49/15/62/634491562.db2.gz RXOXPHBKQYPOMR-UHFFFAOYSA-N 0 0 288.351 3.254 20 10 CGCDRN Oc1ccccc1CN1CC(F)(c2ccccc2F)C1 ZINC000839143379 626323379 /nfs/dbraw/zinc/32/33/79/626323379.db2.gz OXBPJVLJVREHAJ-UHFFFAOYSA-N 0 0 275.298 3.212 20 10 CGCDRN CCc1ccc(CN2CCOc3cc(N(C)C)ccc32)nc1 ZINC000839531053 626380329 /nfs/dbraw/zinc/38/03/29/626380329.db2.gz HBQLNOQCIGEPAB-UHFFFAOYSA-N 0 0 297.402 3.109 20 10 CGCDRN CN1CCc2cc(/C=C\c3ccc([N+](=O)[O-])cn3)ccc21 ZINC000751534038 626394850 /nfs/dbraw/zinc/39/48/50/626394850.db2.gz GTCGRZFRBASUBU-RQOWECAXSA-N 0 0 281.315 3.153 20 10 CGCDRN Cc1cc(C(=O)NCC(F)F)c(C)n1-c1cccc(C)c1 ZINC000752427961 626427962 /nfs/dbraw/zinc/42/79/62/626427962.db2.gz QMSIFYSWMNQCPX-UHFFFAOYSA-N 0 0 292.329 3.397 20 10 CGCDRN CN(C)c1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)cc1 ZINC000753146074 626446534 /nfs/dbraw/zinc/44/65/34/626446534.db2.gz GVKCTBOJWAIXCS-UTCJRWHESA-N 0 0 269.304 3.226 20 10 CGCDRN Cc1cc(C(=O)N2CCCO2)c(C)n1-c1ccccc1C ZINC000753970401 626470640 /nfs/dbraw/zinc/47/06/40/626470640.db2.gz HBTKSSDTHZFYNH-UHFFFAOYSA-N 0 0 284.359 3.180 20 10 CGCDRN CCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756338972 626693206 /nfs/dbraw/zinc/69/32/06/626693206.db2.gz AUGGRYVELNIROP-JTQLQIEISA-N 0 0 252.314 3.141 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000756413079 626703329 /nfs/dbraw/zinc/70/33/29/626703329.db2.gz XLIADZQXDMGICS-IHRRRGAJSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756418113 626704631 /nfs/dbraw/zinc/70/46/31/626704631.db2.gz PUJNTKIIVYPXJT-NEPJUHHUSA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756554211 626714719 /nfs/dbraw/zinc/71/47/19/626714719.db2.gz ODGUOHYQJCZKCR-ZETCQYMHSA-N 0 0 286.162 3.273 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCSC1)c1cc(F)cc(F)c1[O-] ZINC000756636546 626722802 /nfs/dbraw/zinc/72/28/02/626722802.db2.gz FCSKCZXYTRNMOW-SCZZXKLOSA-N 0 0 273.348 3.217 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756648964 626724841 /nfs/dbraw/zinc/72/48/41/626724841.db2.gz MFLLWSXOMFNSTQ-AQUOVQTQSA-N 0 0 285.334 3.135 20 10 CGCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756732431 626728334 /nfs/dbraw/zinc/72/83/34/626728334.db2.gz HKSFMSQKTQHEAT-ZJUUUORDSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000756782573 626731882 /nfs/dbraw/zinc/73/18/82/626731882.db2.gz CIOCBCBXXGACBB-RDDDGLTNSA-N 0 0 297.704 3.010 20 10 CGCDRN CCn1cc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756856558 626737814 /nfs/dbraw/zinc/73/78/14/626737814.db2.gz SAAQULJLQILEGD-SKDRFNHKSA-N 0 0 275.327 3.408 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)c(F)cc1F ZINC000124860074 634521495 /nfs/dbraw/zinc/52/14/95/634521495.db2.gz BKWUFDQTKSPJII-UHFFFAOYSA-N 0 0 295.260 3.082 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1cncc(C)c1)CCC2 ZINC000839656476 626770911 /nfs/dbraw/zinc/77/09/11/626770911.db2.gz MYBAWCFFOUOOAS-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000839789582 626788948 /nfs/dbraw/zinc/78/89/48/626788948.db2.gz ZWHLZNPEDBIJLP-LLVKDONJSA-N 0 0 253.367 3.152 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cccc3c2OCO3)c1 ZINC000757656476 626797779 /nfs/dbraw/zinc/79/77/79/626797779.db2.gz AKMWWQIYRJCQBH-SNVBAGLBSA-N 0 0 287.315 3.303 20 10 CGCDRN CCCCOC(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000758142724 626830469 /nfs/dbraw/zinc/83/04/69/626830469.db2.gz OLGPHUDWTPYMNH-UHFFFAOYSA-N 0 0 285.771 3.128 20 10 CGCDRN CCC[C@@H](CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874246383 634527292 /nfs/dbraw/zinc/52/72/92/634527292.db2.gz IJWACWLVCVUGEX-LLVKDONJSA-N 0 0 276.340 3.158 20 10 CGCDRN Cc1cccc(C)c1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759598860 626908018 /nfs/dbraw/zinc/90/80/18/626908018.db2.gz ZGKGTNJDEORLRG-VQHVLOKHSA-N 0 0 298.338 3.471 20 10 CGCDRN CCCOC(=O)[C@H](C)N(C)c1ccc(OC(C)C)cc1 ZINC000759915774 626931344 /nfs/dbraw/zinc/93/13/44/626931344.db2.gz RTXOOYCGNKCFRS-ZDUSSCGKSA-N 0 0 279.380 3.252 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H]2CC[C@@H](C)O2)cc1 ZINC000759932312 626932046 /nfs/dbraw/zinc/93/20/46/626932046.db2.gz BKHVLDMMXBNBNA-CZUORRHYSA-N 0 0 263.381 3.478 20 10 CGCDRN CC[C@@H]1C[C@H](CN(C)c2ccc(OC)c(OC)c2)CCO1 ZINC000761222218 627026219 /nfs/dbraw/zinc/02/62/19/627026219.db2.gz RJJLWYLMAHEBQL-UKRRQHHQSA-N 0 0 293.407 3.345 20 10 CGCDRN CC(C)(C)CN1CCC[C@@H](Sc2nccs2)C1=O ZINC000763484852 627160393 /nfs/dbraw/zinc/16/03/93/627160393.db2.gz NQXLXIHXQFDZKP-SNVBAGLBSA-N 0 0 284.450 3.272 20 10 CGCDRN C/C=C\COC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000765419046 627248831 /nfs/dbraw/zinc/24/88/31/627248831.db2.gz NFEGJCOAGYFLHN-PLNGDYQASA-N 0 0 276.361 3.228 20 10 CGCDRN CCCN(Cc1ccccc1O)c1nc(C)cc(CC)n1 ZINC000766087441 627293633 /nfs/dbraw/zinc/29/36/33/627293633.db2.gz LKDHXAGXJYGYKO-UHFFFAOYSA-N 0 0 285.391 3.470 20 10 CGCDRN Cc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)c(C)o1 ZINC000767886932 627441505 /nfs/dbraw/zinc/44/15/05/627441505.db2.gz OSJUWQBLGHBJGC-LCYFTJDESA-N 0 0 290.388 3.353 20 10 CGCDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)C1=CC(=O)CS1 ZINC000768378703 627477396 /nfs/dbraw/zinc/47/73/96/627477396.db2.gz XZUIQKBMNQTDBH-NSHDSACASA-N 0 0 295.404 3.065 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncnc2c1CCC2 ZINC000770472783 627621241 /nfs/dbraw/zinc/62/12/41/627621241.db2.gz MUMHQWGTPXFWPL-UHFFFAOYSA-N 0 0 296.418 3.058 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)C=C(C)C)cc1 ZINC000770748613 627642259 /nfs/dbraw/zinc/64/22/59/627642259.db2.gz SFHNRDBVDUZQKH-UHFFFAOYSA-N 0 0 274.408 3.457 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(C(F)(F)F)o1 ZINC000771419577 627708812 /nfs/dbraw/zinc/70/88/12/627708812.db2.gz XPHOGIGLTVSVKP-UHFFFAOYSA-N 0 0 299.248 3.242 20 10 CGCDRN CCC(=O)c1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000771525376 627717019 /nfs/dbraw/zinc/71/70/19/627717019.db2.gz VVSQQBTWFRGRDN-UHFFFAOYSA-N 0 0 298.342 3.307 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCc3cccc(F)c32)c1 ZINC000772170300 627770397 /nfs/dbraw/zinc/77/03/97/627770397.db2.gz 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CGCDRN O=C1NC(=S)S/C1=C/C=C\c1ccc(F)c(F)c1 ZINC000794691333 629568213 /nfs/dbraw/zinc/56/82/13/629568213.db2.gz OXJOUEZNSNBIIC-ACMIUEAZSA-N 0 0 283.324 3.010 20 10 CGCDRN CC[C@@H](Nc1cnn(C)c1C)c1ccc(C)cc1O ZINC000794812228 629580226 /nfs/dbraw/zinc/58/02/26/629580226.db2.gz KXTOOXHADYWJEC-CYBMUJFWSA-N 0 0 259.353 3.306 20 10 CGCDRN COc1cc(-c2nc3c(cc(C)cc3F)[nH]2)cc(O)c1O ZINC000794859284 629589787 /nfs/dbraw/zinc/58/97/87/629589787.db2.gz PQXORYGQKYGIAM-UHFFFAOYSA-N 0 0 288.278 3.097 20 10 CGCDRN COc1ccccc1CCCN(C)c1ccc(N)cc1 ZINC000863558519 629605899 /nfs/dbraw/zinc/60/58/99/629605899.db2.gz MCSSPFBDZGRWAZ-UHFFFAOYSA-N 0 0 270.376 3.346 20 10 CGCDRN CCO[C@@H](C)c1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000863558703 629606075 /nfs/dbraw/zinc/60/60/75/629606075.db2.gz UFAAFURRZNWCGZ-NSHDSACASA-N 0 0 291.420 3.459 20 10 CGCDRN [O-]c1c(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)ccc(F)c1F ZINC000864051038 629744712 /nfs/dbraw/zinc/74/47/12/629744712.db2.gz YWRLYUCGTBXKRK-DZGCQCFKSA-N 0 0 297.345 3.108 20 10 CGCDRN CC[C@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])N1CCCC1 ZINC000796695193 629816413 /nfs/dbraw/zinc/81/64/13/629816413.db2.gz MPUAFVZLXAUGEM-ZBFHGGJFSA-N 0 0 294.414 3.446 20 10 CGCDRN CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796758310 629827604 /nfs/dbraw/zinc/82/76/04/629827604.db2.gz FSMAEPZHHRXGMC-ZBFHGGJFSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccc(F)cc1[O-] ZINC000796764546 629829275 /nfs/dbraw/zinc/82/92/75/629829275.db2.gz VEMPKUJNUIMXLB-GOEBONIOSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)c1ccc(F)cc1[O-] ZINC000796794886 629835962 /nfs/dbraw/zinc/83/59/62/629835962.db2.gz XVZGMDNNPACNQH-CFVMTHIKSA-N 0 0 281.371 3.386 20 10 CGCDRN CC[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(F)cc1[O-] ZINC000796835316 629844488 /nfs/dbraw/zinc/84/44/88/629844488.db2.gz KTSQWQWTMLIGFE-CQSZACIVSA-N 0 0 281.371 3.125 20 10 CGCDRN C[C@H]1C[C@H]1c1nnc(NCc2c(O)ccc(Cl)c2F)o1 ZINC000865294941 630056769 /nfs/dbraw/zinc/05/67/69/630056769.db2.gz VRCBBLJKCKBUSK-NKWVEPMBSA-N 0 0 297.717 3.303 20 10 CGCDRN Cc1cnccc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000120496881 630061903 /nfs/dbraw/zinc/06/19/03/630061903.db2.gz BLBYCJODOUBLKP-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN COc1cccc(CNc2cc(CC(C)C)ncn2)c1O ZINC000865501537 630156322 /nfs/dbraw/zinc/15/63/22/630156322.db2.gz AAVXIIDWXBXYJJ-UHFFFAOYSA-N 0 0 287.363 3.001 20 10 CGCDRN Cc1cccc(CN2CCCC[C@H]2C(F)F)c1O ZINC000800532907 630291600 /nfs/dbraw/zinc/29/16/00/630291600.db2.gz ADEXTWSTMYRZTK-LBPRGKRZSA-N 0 0 255.308 3.320 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)C(C)C ZINC000839919065 630296295 /nfs/dbraw/zinc/29/62/95/630296295.db2.gz PEMNBKXGGLDUCK-LSDHHAIUSA-N 0 0 290.451 3.400 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC1(C)C ZINC000839921429 630297392 /nfs/dbraw/zinc/29/73/92/630297392.db2.gz ZGMJSQOBDKZHLZ-BBRMVZONSA-N 0 0 288.435 3.154 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1nc(C)ns1 ZINC000800887564 630309323 /nfs/dbraw/zinc/30/93/23/630309323.db2.gz XMTFUTKKKMQNLH-UHFFFAOYSA-N 0 0 277.393 3.359 20 10 CGCDRN CCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000836818995 634807780 /nfs/dbraw/zinc/80/77/80/634807780.db2.gz MGCUEXNIVPFCQC-HQPKTYMTSA-N 0 0 291.391 3.442 20 10 CGCDRN CCc1nc(C)cc(NCCCSc2nccs2)n1 ZINC000804452473 630528156 /nfs/dbraw/zinc/52/81/56/630528156.db2.gz HXPUUERKOCARDF-UHFFFAOYSA-N 0 0 294.449 3.398 20 10 CGCDRN COc1ccc(O)c(CNc2ccnc(C(F)(F)F)c2)c1 ZINC000804458685 630528992 /nfs/dbraw/zinc/52/89/92/630528992.db2.gz NAWOSNGKAJSLIR-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC(CC(F)(F)F)CC1 ZINC000807552360 630592754 /nfs/dbraw/zinc/59/27/54/630592754.db2.gz WXIIQTAGBMAEOJ-UHFFFAOYSA-N 0 0 293.310 3.258 20 10 CGCDRN CN(C)c1ccc(CN[C@@H]2CCCC2(F)F)cc1F ZINC000808431088 630644219 /nfs/dbraw/zinc/64/42/19/630644219.db2.gz DFCPSLOWJDUWPA-CYBMUJFWSA-N 0 0 272.314 3.169 20 10 CGCDRN C[C@@H](NC(=O)c1ocnc1C1CC1)c1ccc(N(C)C)cc1 ZINC000808747667 630674606 /nfs/dbraw/zinc/67/46/06/630674606.db2.gz UELIORSFUFKKNX-LLVKDONJSA-N 0 0 299.374 3.109 20 10 CGCDRN CC(C)C[C@H](CO)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809767568 630801938 /nfs/dbraw/zinc/80/19/38/630801938.db2.gz OHWIFJYLSSDZKD-SNVBAGLBSA-N 0 0 289.778 3.024 20 10 CGCDRN COc1ccc(NCc2c(O)cccc2Cl)cn1 ZINC000127225540 635563455 /nfs/dbraw/zinc/56/34/55/635563455.db2.gz XRPYVHYLKSXJIY-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN CCOc1ccc(CN2CCOCc3ccccc32)c(O)c1 ZINC000811508429 631078095 /nfs/dbraw/zinc/07/80/95/631078095.db2.gz PRDXXRLYGZAVFO-UHFFFAOYSA-N 0 0 299.370 3.328 20 10 CGCDRN C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCC1(F)F ZINC000811778686 631119346 /nfs/dbraw/zinc/11/93/46/631119346.db2.gz KMQKFIZKKWTIHZ-NSHDSACASA-N 0 0 292.329 3.418 20 10 CGCDRN Cc1ccc(O)c(CNc2nc3cc(Cl)ccn3n2)c1 ZINC000811840408 631125471 /nfs/dbraw/zinc/12/54/71/631125471.db2.gz XEEHFWQBXTURTF-UHFFFAOYSA-N 0 0 288.738 3.009 20 10 CGCDRN COc1ccc(NC(=S)NNc2ccccc2F)cc1 ZINC000812474801 631265775 /nfs/dbraw/zinc/26/57/75/631265775.db2.gz DHAHCLZPYVMFRR-UHFFFAOYSA-N 0 0 291.351 3.148 20 10 CGCDRN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H](C)OC ZINC000812807981 631316564 /nfs/dbraw/zinc/31/65/64/631316564.db2.gz NQMKXVKMADDYOH-VIFPVBQESA-N 0 0 275.751 3.042 20 10 CGCDRN CN(Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000876521901 634850708 /nfs/dbraw/zinc/85/07/08/634850708.db2.gz BAVZQHXZWAJJJS-UHFFFAOYSA-N 0 0 296.414 3.284 20 10 CGCDRN Cc1ccc(C(=O)NCCc2ccc(N)cc2)c(C(C)C)n1 ZINC000876528151 634852182 /nfs/dbraw/zinc/85/21/82/634852182.db2.gz QJRCYSMWSVHVCX-UHFFFAOYSA-N 0 0 297.402 3.068 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)ccc21 ZINC000815151195 631731724 /nfs/dbraw/zinc/73/17/24/631731724.db2.gz LTCYLFJQGPWKMZ-HGKCTWBKSA-N 0 0 298.430 3.121 20 10 CGCDRN Cc1c(C(=O)NCc2ccccc2O)ccn1C(C)C ZINC000815833333 631827283 /nfs/dbraw/zinc/82/72/83/631827283.db2.gz IUBARTHUYYPIPC-UHFFFAOYSA-N 0 0 272.348 3.013 20 10 CGCDRN CO[C@H](C)C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816515371 632000903 /nfs/dbraw/zinc/00/09/03/632000903.db2.gz XXJHHZPRAXNLAF-SNVBAGLBSA-N 0 0 289.778 3.430 20 10 CGCDRN CC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816556001 632011545 /nfs/dbraw/zinc/01/15/45/632011545.db2.gz WKWRYHKUTUWMRD-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN Oc1c(CNc2ccc3[nH]nnc3c2)ccc2ccccc21 ZINC000816557307 632011799 /nfs/dbraw/zinc/01/17/99/632011799.db2.gz LNWDYLXVADYKPN-UHFFFAOYSA-N 0 0 290.326 3.429 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816595066 632019313 /nfs/dbraw/zinc/01/93/13/632019313.db2.gz YDOPYARTXHNSTL-CQSZACIVSA-N 0 0 287.762 3.186 20 10 CGCDRN Oc1c(CN2CCOCC(F)(F)C2)ccc2ccccc21 ZINC000816613460 632025552 /nfs/dbraw/zinc/02/55/52/632025552.db2.gz VIKJNRVLHJIYHQ-UHFFFAOYSA-N 0 0 293.313 3.013 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)C3(C)CC3)cc12 ZINC000817152064 632088159 /nfs/dbraw/zinc/08/81/59/632088159.db2.gz LVNKCBKRKZSOJX-UHFFFAOYSA-N 0 0 293.388 3.056 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000817415659 632146240 /nfs/dbraw/zinc/14/62/40/632146240.db2.gz WIBITRNOMNFKPP-NXEZZACHSA-N 0 0 287.762 3.232 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817419200 632146781 /nfs/dbraw/zinc/14/67/81/632146781.db2.gz QXCZHOOUVMPHQG-LBPRGKRZSA-N 0 0 283.799 3.030 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000817515731 632179553 /nfs/dbraw/zinc/17/95/53/632179553.db2.gz NIOMBYTYQGHFSF-BZUAXINKSA-N 0 0 286.419 3.147 20 10 CGCDRN CC[C@@H]([NH2+]C1CCN(OC)CC1)c1cccc(Cl)c1[O-] ZINC000817588745 632192723 /nfs/dbraw/zinc/19/27/23/632192723.db2.gz QZGRJKDVRUGGTB-CQSZACIVSA-N 0 0 298.814 3.112 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3=COCC3)cc12 ZINC000817761306 632223490 /nfs/dbraw/zinc/22/34/90/632223490.db2.gz KVSOZKXKSPKIQB-UHFFFAOYSA-N 0 0 271.316 3.005 20 10 CGCDRN C[C@H](NC[C@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1O ZINC000817953314 632247784 /nfs/dbraw/zinc/24/77/84/632247784.db2.gz ZZANMHNBRXFKJO-DTWKUNHWSA-N 0 0 289.206 3.102 20 10 CGCDRN O[C@H](CNc1ccccc1OCC(F)F)CC(F)(F)F ZINC000819460283 632463063 /nfs/dbraw/zinc/46/30/63/632463063.db2.gz JMUGWCIWIVVJNY-QMMMGPOBSA-N 0 0 299.239 3.056 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC23CC3)cc1 ZINC000819625336 632493100 /nfs/dbraw/zinc/49/31/00/632493100.db2.gz QIFWMEBQSGHPPV-MRXNPFEDSA-N 0 0 280.371 3.376 20 10 CGCDRN CCC(C)(C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820104613 632571809 /nfs/dbraw/zinc/57/18/09/632571809.db2.gz CLFQFMUJWSCIJZ-UHFFFAOYSA-N 0 0 276.340 3.110 20 10 CGCDRN C[C@H]1CC[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820444785 632629722 /nfs/dbraw/zinc/62/97/22/632629722.db2.gz FTIQAPKSLWDZBQ-QWRGUYRKSA-N 0 0 288.351 3.110 20 10 CGCDRN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820478998 632635292 /nfs/dbraw/zinc/63/52/92/632635292.db2.gz RNCHMDVKPHWUSC-PHIMTYICSA-N 0 0 288.351 3.252 20 10 CGCDRN CC1(C)C(NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C ZINC000820587495 632650483 /nfs/dbraw/zinc/65/04/83/632650483.db2.gz ASWAECHDMFHDGL-UHFFFAOYSA-N 0 0 288.351 3.013 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820777051 632675967 /nfs/dbraw/zinc/67/59/67/632675967.db2.gz RVPUVHFBATWCHV-MFKMUULPSA-N 0 0 288.351 3.158 20 10 CGCDRN COCc1cc(NCc2cc(C)ccc2O)ccc1OC ZINC000865750984 632877533 /nfs/dbraw/zinc/87/75/33/632877533.db2.gz FGYHNOMSQCGRBY-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN CC(C)c1cnc(N2Cc3cccc(O)c3C2)s1 ZINC000866118150 633003922 /nfs/dbraw/zinc/00/39/22/633003922.db2.gz XIGZPJRCOXEIAE-UHFFFAOYSA-N 0 0 260.362 3.492 20 10 CGCDRN CCCc1nsc(N[C@@H](C)c2ccccc2O)n1 ZINC000866237386 633039702 /nfs/dbraw/zinc/03/97/02/633039702.db2.gz ISGJCTKFNGEJMJ-VIFPVBQESA-N 0 0 263.366 3.369 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866401704 633123305 /nfs/dbraw/zinc/12/33/05/633123305.db2.gz DSABMEAIDYMOAM-QWRGUYRKSA-N 0 0 296.392 3.094 20 10 CGCDRN CC(C(=O)N(C)Cc1ccc(N(C)C)cc1)=C1CCC1 ZINC000824114430 633199653 /nfs/dbraw/zinc/19/96/53/633199653.db2.gz VQSCKXBXYMEHRD-UHFFFAOYSA-N 0 0 272.392 3.211 20 10 CGCDRN CCn1nnc(C)c1CN(C)c1ccc(OC(C)C)cc1 ZINC000824292970 633225816 /nfs/dbraw/zinc/22/58/16/633225816.db2.gz XKVCNBNOKPRYJG-UHFFFAOYSA-N 0 0 288.395 3.030 20 10 CGCDRN CC(C)(C)c1csc(C(=O)NCc2ccccc2O)n1 ZINC000866755918 633240321 /nfs/dbraw/zinc/24/03/21/633240321.db2.gz OOJXJBYJCFXFOG-UHFFFAOYSA-N 0 0 290.388 3.076 20 10 CGCDRN Cc1cc(O)c(CN2CCC[C@H]2c2ncon2)cc1Cl ZINC000824656399 633269880 /nfs/dbraw/zinc/26/98/80/633269880.db2.gz IJLGGVVTRIPMFS-LBPRGKRZSA-N 0 0 293.754 3.074 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCCn1ccnc1 ZINC000121873730 633272306 /nfs/dbraw/zinc/27/23/06/633272306.db2.gz KVUVIYCHWWTBDE-UHFFFAOYSA-N 0 0 284.388 3.076 20 10 CGCDRN CC[C@@](C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000824744095 633281836 /nfs/dbraw/zinc/28/18/36/633281836.db2.gz ZNCCCMKXFZKGSR-ZDUSSCGKSA-N 0 0 275.751 3.089 20 10 CGCDRN C[C@H](NC(=O)NCC1(C)CCCC1)c1ccccc1O ZINC000868229387 633306980 /nfs/dbraw/zinc/30/69/80/633306980.db2.gz OBPNKRXOOSXMEH-LBPRGKRZSA-N 0 0 276.380 3.333 20 10 CGCDRN CCn1ccnc1[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000825005404 633316891 /nfs/dbraw/zinc/31/68/91/633316891.db2.gz JTKZIMZRDBGSHF-ZDUSSCGKSA-N 0 0 273.380 3.071 20 10 CGCDRN COCCN(Cc1cc(OC)ccc1O)c1ccccc1 ZINC000825036063 633320139 /nfs/dbraw/zinc/32/01/39/633320139.db2.gz ZPIDUQFCKKWNPK-UHFFFAOYSA-N 0 0 287.359 3.054 20 10 CGCDRN CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000825098441 633328376 /nfs/dbraw/zinc/32/83/76/633328376.db2.gz IRBIRFOBFCIKAM-CLAHSXSESA-N 0 0 287.762 3.088 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000825824932 633382853 /nfs/dbraw/zinc/38/28/53/633382853.db2.gz PYHLFQVBIVNYJG-HOCLYGCPSA-N 0 0 295.810 3.497 20 10 CGCDRN Cc1cc(O)c(CN[C@@H](C)C(F)(F)F)cc1Cl ZINC000825939527 633389721 /nfs/dbraw/zinc/38/97/21/633389721.db2.gz BXCKACHRTFZUTI-ZETCQYMHSA-N 0 0 267.678 3.394 20 10 CGCDRN C[C@@H](NC(=O)c1cc(C(C)(C)C)on1)c1ccccc1O ZINC000827936756 633536873 /nfs/dbraw/zinc/53/68/73/633536873.db2.gz CEOOZRZUFRNPEI-SNVBAGLBSA-N 0 0 288.347 3.169 20 10 CGCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)N[C@H](C)c1ccccc1O ZINC000827947007 633539064 /nfs/dbraw/zinc/53/90/64/633539064.db2.gz XZJWDHDFHLZRLT-MGPQQGTHSA-N 0 0 293.407 3.147 20 10 CGCDRN C/C(=C\C(=O)NCc1ccc(N(C)C)cc1C)c1ccco1 ZINC000827955392 633539575 /nfs/dbraw/zinc/53/95/75/633539575.db2.gz GQAIIBNPDCIIIB-SDNWHVSQSA-N 0 0 298.386 3.374 20 10 CGCDRN C[C@H](NC(=O)CCCC(=O)C(C)(C)C)c1ccccc1O ZINC000827963936 633541341 /nfs/dbraw/zinc/54/13/41/633541341.db2.gz DVDMETBCGHKWKM-LBPRGKRZSA-N 0 0 291.391 3.355 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1OCc2ccccc21)c1ccccc1O ZINC000827960158 633541489 /nfs/dbraw/zinc/54/14/89/633541489.db2.gz KIOCEMLPVSFOGG-SJCJKPOMSA-N 0 0 297.354 3.231 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCCCCC(=O)C1)c1ccccc1O ZINC000827964892 633541727 /nfs/dbraw/zinc/54/17/27/633541727.db2.gz ZJSPJFXULKBPAA-QWHCGFSZSA-N 0 0 289.375 3.109 20 10 CGCDRN COc1ccc(N(Cc2csnn2)CC(C)C)cc1 ZINC000828206481 633582396 /nfs/dbraw/zinc/58/23/96/633582396.db2.gz WREHSUXPMMXION-UHFFFAOYSA-N 0 0 277.393 3.209 20 10 CGCDRN O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1Cc2cccc(O)c2C1 ZINC000828325975 633605754 /nfs/dbraw/zinc/60/57/54/633605754.db2.gz CYTWRUZOOXQSNN-FPMFFAJLSA-N 0 0 271.360 3.061 20 10 CGCDRN CCc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000828861358 633662774 /nfs/dbraw/zinc/66/27/74/633662774.db2.gz OLOIKWOMIMJCDW-CYBMUJFWSA-N 0 0 297.402 3.201 20 10 CGCDRN CCc1ccc(CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871200085 633722521 /nfs/dbraw/zinc/72/25/21/633722521.db2.gz YUMZKHXZGHTUNV-UHFFFAOYSA-N 0 0 295.382 3.430 20 10 CGCDRN CC[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000871202355 633723059 /nfs/dbraw/zinc/72/30/59/633723059.db2.gz FMNUXSVTOOJOBI-LBPRGKRZSA-N 0 0 261.365 3.307 20 10 CGCDRN CC(C)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000871204364 633724149 /nfs/dbraw/zinc/72/41/49/633724149.db2.gz YZVORZUYLHPGOT-UHFFFAOYSA-N 0 0 282.343 3.067 20 10 CGCDRN O=C([C@@H]1CCCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000871204599 633724468 /nfs/dbraw/zinc/72/44/68/633724468.db2.gz HOYNLUPLDHGLRN-LBPRGKRZSA-N 0 0 281.302 3.060 20 10 CGCDRN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000871203697 633724714 /nfs/dbraw/zinc/72/47/14/633724714.db2.gz QFUDYFRHIYIAFG-LLVKDONJSA-N 0 0 259.349 3.061 20 10 CGCDRN O=C([C@H]1C[C@@]1(F)c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871205478 633725387 /nfs/dbraw/zinc/72/53/87/633725387.db2.gz FKZJGWWQLLNJDB-CRAIPNDOSA-N 0 0 297.329 3.119 20 10 CGCDRN Cc1cc(CC(=O)NC2CC=CC2)c(C)n1-c1ccccc1 ZINC000830132477 633831145 /nfs/dbraw/zinc/83/11/45/633831145.db2.gz SHRYNFHCLOGAQS-UHFFFAOYSA-N 0 0 294.398 3.471 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC2(C)C)c1 ZINC000830541158 633869645 /nfs/dbraw/zinc/86/96/45/633869645.db2.gz SYJRVVNPCAUZSZ-MFKMUULPSA-N 0 0 277.364 3.014 20 10 CGCDRN CC1(C)CC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830559138 633871008 /nfs/dbraw/zinc/87/10/08/633871008.db2.gz JQGOWFBMLITRDU-OAHLLOKOSA-N 0 0 287.403 3.323 20 10 CGCDRN CCCc1noc(CNc2ccccc2NC(C)C)n1 ZINC000871847529 633891518 /nfs/dbraw/zinc/89/15/18/633891518.db2.gz SSBXXAHAJCZMEI-UHFFFAOYSA-N 0 0 274.368 3.455 20 10 CGCDRN CCCOc1ccc(C[NH2+]CC(C)(C)CC(=O)[O-])cc1C ZINC000871877557 633907216 /nfs/dbraw/zinc/90/72/16/633907216.db2.gz MWECASVRAILZPK-UHFFFAOYSA-N 0 0 293.407 3.374 20 10 CGCDRN COc1ccc(N(Cc2nnc(C3CC3)o2)CC2CC2)cc1 ZINC000831582691 633979329 /nfs/dbraw/zinc/97/93/29/633979329.db2.gz CZBMPJDERRSJIO-UHFFFAOYSA-N 0 0 299.374 3.372 20 10 CGCDRN COCCCCN(CC1CC1)c1ccc(OC)cc1 ZINC000831587546 633980315 /nfs/dbraw/zinc/98/03/15/633980315.db2.gz DSXPFQQORNGECT-UHFFFAOYSA-N 0 0 263.381 3.338 20 10 CGCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000846185431 636155473 /nfs/dbraw/zinc/15/54/73/636155473.db2.gz WMEGKPISQBWEBL-PKFCDNJMSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cc(F)cc(F)c1[O-] ZINC000872110135 634035479 /nfs/dbraw/zinc/03/54/79/634035479.db2.gz VWCRPZZVKSUUHN-OUCVZQCGSA-N 0 0 297.345 3.279 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCCCc2cccnc21 ZINC000872292219 634104130 /nfs/dbraw/zinc/10/41/30/634104130.db2.gz PAJUUJYVGJMSCP-BQYQJAHWSA-N 0 0 299.399 3.229 20 10 CGCDRN Cc1cc(O)ccc1NS(=O)(=O)CCC1CCCCC1 ZINC000872353335 634114042 /nfs/dbraw/zinc/11/40/42/634114042.db2.gz DWROFYJKHUFNNB-UHFFFAOYSA-N 0 0 297.420 3.413 20 10 CGCDRN Nc1ccc(Cc2nc(C3CCCCC3)no2)cc1 ZINC000019772070 634227659 /nfs/dbraw/zinc/22/76/59/634227659.db2.gz SDNBRWFANMLNHW-UHFFFAOYSA-N 0 0 257.337 3.290 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1cnn(CC3CC3)c1)CC2 ZINC000834733292 634230814 /nfs/dbraw/zinc/23/08/14/634230814.db2.gz CRSZHVQVTDLSOV-AWEZNQCLSA-N 0 0 269.348 3.098 20 10 CGCDRN Oc1cccc2c1[C@H](N[C@H](C1CC1)C(F)(F)F)CC2 ZINC000834802946 634244707 /nfs/dbraw/zinc/24/47/07/634244707.db2.gz GZMOZNTVNAAOIW-ZWNOBZJWSA-N 0 0 271.282 3.310 20 10 CGCDRN Oc1cccc2c1[C@@H](N[C@H](C1CC1)C(F)(F)F)CC2 ZINC000834802944 634244738 /nfs/dbraw/zinc/24/47/38/634244738.db2.gz GZMOZNTVNAAOIW-GXFFZTMASA-N 0 0 271.282 3.310 20 10 CGCDRN CCCOc1ccc(CN[C@H](C)c2csnn2)cc1C ZINC000873132242 634253552 /nfs/dbraw/zinc/25/35/52/634253552.db2.gz MDWDSSVXSFXCNP-GFCCVEGCSA-N 0 0 291.420 3.486 20 10 CGCDRN Cc1cc(C)c([C@H](C)NCc2nn(C)cc2Cl)c(O)c1 ZINC000834883668 634265210 /nfs/dbraw/zinc/26/52/10/634265210.db2.gz SZTZAADZGMAGSW-NSHDSACASA-N 0 0 293.798 3.247 20 10 CGCDRN CCn1nc(C)c(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000124434582 634273609 /nfs/dbraw/zinc/27/36/09/634273609.db2.gz WIXJYWAVSQEVKL-UHFFFAOYSA-N 0 0 290.386 3.337 20 10 CGCDRN CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000834903067 634280427 /nfs/dbraw/zinc/28/04/27/634280427.db2.gz HWCJZIDXVAZISD-MHMOXLGJSA-N 0 0 293.382 3.483 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2ccc(CCO)cc2)cc1 ZINC000835030759 634325359 /nfs/dbraw/zinc/32/53/59/634325359.db2.gz GUHNRJXTGGYCEK-ONEGZZNKSA-N 0 0 296.414 3.413 20 10 CGCDRN Cc1cc(CN(C)C/C=C\c2ccc(N(C)C)cc2)no1 ZINC000835026175 634326108 /nfs/dbraw/zinc/32/61/08/634326108.db2.gz RKKCJGAFZWGCMV-WAYWQWQTSA-N 0 0 285.391 3.194 20 10 CGCDRN COc1ccc(O)c(CNC(=O)Nc2cscc2C)c1 ZINC000124492178 634344772 /nfs/dbraw/zinc/34/47/72/634344772.db2.gz UABIEDWKJBEQJE-UHFFFAOYSA-N 0 0 292.360 3.092 20 10 CGCDRN CCNC(=O)c1ccc(C)c(NCc2ccc(C)cc2O)c1 ZINC000876841836 634913221 /nfs/dbraw/zinc/91/32/21/634913221.db2.gz DEKHDCWGUUBJMJ-UHFFFAOYSA-N 0 0 298.386 3.371 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C2CC(C(C)(C)C)C2)c1 ZINC000837483984 634917780 /nfs/dbraw/zinc/91/77/80/634917780.db2.gz DFORYDLLCBFJMQ-UHFFFAOYSA-N 0 0 291.391 3.089 20 10 CGCDRN CN(C(=O)C(C)(C)CC(F)(F)F)c1ccc(N)cc1 ZINC000877074684 634972387 /nfs/dbraw/zinc/97/23/87/634972387.db2.gz PKZWIOJDHVZZAU-UHFFFAOYSA-N 0 0 274.286 3.210 20 10 CGCDRN CN(C(=O)C1(C)CCC(F)(F)CC1)c1ccc(N)cc1 ZINC000877074735 634972503 /nfs/dbraw/zinc/97/25/03/634972503.db2.gz RFVNUFOCTBPDQT-UHFFFAOYSA-N 0 0 282.334 3.447 20 10 CGCDRN CN(C(=O)c1cc(C2CCCCC2)[nH]n1)c1ccc(N)cc1 ZINC000877075778 634973427 /nfs/dbraw/zinc/97/34/27/634973427.db2.gz HHBADTVTYAQDMF-UHFFFAOYSA-N 0 0 298.390 3.316 20 10 CGCDRN Cc1cccc(OCCCC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877079038 634975715 /nfs/dbraw/zinc/97/57/15/634975715.db2.gz ODWFMHDSXFSXKQ-UHFFFAOYSA-N 0 0 298.386 3.399 20 10 CGCDRN CN(C(=O)C(C)(C)c1cccs1)c1ccc(N)cc1 ZINC000877078228 634975769 /nfs/dbraw/zinc/97/57/69/634975769.db2.gz ISGKIJKZYPLKDZ-UHFFFAOYSA-N 0 0 274.389 3.271 20 10 CGCDRN CCn1nc(C)c(NCc2ccc(C)cc2O)c1C ZINC000877160890 635004323 /nfs/dbraw/zinc/00/43/23/635004323.db2.gz AQYHNWKSKDLOCK-UHFFFAOYSA-N 0 0 259.353 3.146 20 10 CGCDRN CC/C(C)=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840556609 635022494 /nfs/dbraw/zinc/02/24/94/635022494.db2.gz WDARVBBAIFFGEC-WVUXNXBLSA-N 0 0 288.435 3.465 20 10 CGCDRN COC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCCC1 ZINC000877407832 635036601 /nfs/dbraw/zinc/03/66/01/635036601.db2.gz BYDHDJCVFQDIBS-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN Cc1ccnc(CNC(=S)Nc2ccc3c(c2)CCC3)c1 ZINC000840757232 635048246 /nfs/dbraw/zinc/04/82/46/635048246.db2.gz IVELWBCWTBLWQT-UHFFFAOYSA-N 0 0 297.427 3.365 20 10 CGCDRN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840859679 635067242 /nfs/dbraw/zinc/06/72/42/635067242.db2.gz LKAGTKCXCVDOFU-KHQFGBGNSA-N 0 0 273.348 3.215 20 10 CGCDRN CCc1cc(NCc2ccc(N(C)C)cc2C)no1 ZINC000840878550 635070880 /nfs/dbraw/zinc/07/08/80/635070880.db2.gz GODQYJNMXQJIAQ-UHFFFAOYSA-N 0 0 259.353 3.224 20 10 CGCDRN Cc1cc(O)c(CNc2nc(C(C)C)no2)c(Cl)c1 ZINC000840878253 635071523 /nfs/dbraw/zinc/07/15/23/635071523.db2.gz CLWWUNZJESPHJI-UHFFFAOYSA-N 0 0 281.743 3.473 20 10 CGCDRN COCC1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000840961641 635094202 /nfs/dbraw/zinc/09/42/02/635094202.db2.gz CKTVNMWSLUCQIR-UHFFFAOYSA-N 0 0 283.799 3.340 20 10 CGCDRN COC1([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000840969816 635096964 /nfs/dbraw/zinc/09/69/64/635096964.db2.gz LHJRRRCGDBGCLS-SECBINFHSA-N 0 0 287.762 3.232 20 10 CGCDRN CC(C)OCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000840973268 635098011 /nfs/dbraw/zinc/09/80/11/635098011.db2.gz HMYCGCVGSQXXLL-UHFFFAOYSA-N 0 0 289.778 3.478 20 10 CGCDRN C[C@@H](C[N@H+](C)Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-] ZINC000840999173 635101766 /nfs/dbraw/zinc/10/17/66/635101766.db2.gz OYWWSLPLZNDEHR-ZDUSSCGKSA-N 0 0 299.370 3.212 20 10 CGCDRN Cc1ccc(CNc2ccc3c(c2)CCOC3)c(O)c1 ZINC000877630623 635121046 /nfs/dbraw/zinc/12/10/46/635121046.db2.gz HNSDNWJVKUOBCM-UHFFFAOYSA-N 0 0 269.344 3.385 20 10 CGCDRN Cc1ccccc1OCCCC(=O)Nc1ccc(N)cc1 ZINC000022213089 635135273 /nfs/dbraw/zinc/13/52/73/635135273.db2.gz PJQITEHEOUXKAV-UHFFFAOYSA-N 0 0 284.359 3.375 20 10 CGCDRN CC(C)CCn1ccc(NC(=O)Nc2ccc(N)cc2)n1 ZINC000841295880 635148371 /nfs/dbraw/zinc/14/83/71/635148371.db2.gz IDEUXFWTGGGXIK-UHFFFAOYSA-N 0 0 287.367 3.155 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCC3(CCCC3)C2)cc1 ZINC000841295962 635148633 /nfs/dbraw/zinc/14/86/33/635148633.db2.gz LCRINTDELPFWTF-UHFFFAOYSA-N 0 0 273.380 3.457 20 10 CGCDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297282 635148917 /nfs/dbraw/zinc/14/89/17/635148917.db2.gz OBGBPMYCLFMHDN-KWQFWETISA-N 0 0 287.285 3.073 20 10 CGCDRN CC[C@H]1CC[C@H](NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841299994 635150035 /nfs/dbraw/zinc/15/00/35/635150035.db2.gz PVWWZZDJWNXKQG-AULYBMBSSA-N 0 0 261.369 3.359 20 10 CGCDRN Cc1cccnc1[C@H](NC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841300551 635150114 /nfs/dbraw/zinc/15/01/14/635150114.db2.gz RWBRPRNYEOCUNR-OAHLLOKOSA-N 0 0 298.390 3.491 20 10 CGCDRN C[C@H]([NH2+]CCc1cccnc1)c1ccc(Cl)cc1[O-] ZINC000841744366 635222738 /nfs/dbraw/zinc/22/27/38/635222738.db2.gz HDPKOESLNAKKMH-NSHDSACASA-N 0 0 276.767 3.334 20 10 CGCDRN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757690 635230989 /nfs/dbraw/zinc/23/09/89/635230989.db2.gz PFJRBQNMMFANCW-NXEZZACHSA-N 0 0 271.788 3.246 20 10 CGCDRN CCn1ncc(NCc2cc(Cl)cc(OC)c2O)c1C ZINC000877832402 635233529 /nfs/dbraw/zinc/23/35/29/635233529.db2.gz LJJJLVKJUIFHJQ-UHFFFAOYSA-N 0 0 295.770 3.191 20 10 CGCDRN Cc1cc(N(C)C)ccc1[C@H]1Nc2cc(F)ccc2C(=O)N1 ZINC000877847515 635239599 /nfs/dbraw/zinc/23/95/99/635239599.db2.gz AQZLTIGKBNCEKH-INIZCTEOSA-N 0 0 299.349 3.054 20 10 CGCDRN Cc1cc(COc2ccc(N3CCCC3)cc2)c(C)nn1 ZINC000877879023 635249763 /nfs/dbraw/zinc/24/97/63/635249763.db2.gz LQENYEVNUFDUPC-UHFFFAOYSA-N 0 0 283.375 3.273 20 10 CGCDRN CCC[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956368 635252242 /nfs/dbraw/zinc/25/22/42/635252242.db2.gz ACAMVYNDNBKMGQ-OAHLLOKOSA-N 0 0 289.423 3.033 20 10 CGCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc2n(n1)CCCC2 ZINC000842837305 635490679 /nfs/dbraw/zinc/49/06/79/635490679.db2.gz ONNHEXVBFOLEHF-CYBMUJFWSA-N 0 0 297.402 3.005 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843047917 635548923 /nfs/dbraw/zinc/54/89/23/635548923.db2.gz BNINUFUVVSXUHN-CABCVRRESA-N 0 0 294.826 3.152 20 10 CGCDRN COc1ccc(N(C)Cc2cccc3c2NCC3)cc1F ZINC000843069611 635557415 /nfs/dbraw/zinc/55/74/15/635557415.db2.gz SDDBRKBOKNJHOC-UHFFFAOYSA-N 0 0 286.350 3.439 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2ccc(N)nc2)cc1 ZINC000843119684 635560583 /nfs/dbraw/zinc/56/05/83/635560583.db2.gz CBAFYIBQZNMENU-UHFFFAOYSA-N 0 0 271.364 3.087 20 10 CGCDRN C[C@H](c1nc(Cc2ccc(N)cc2)no1)C(C)(C)C ZINC000843158478 635587402 /nfs/dbraw/zinc/58/74/02/635587402.db2.gz DIJGZGJASGQGRK-SNVBAGLBSA-N 0 0 259.353 3.392 20 10 CGCDRN Nc1ccc(Cc2noc(CCCc3ccsc3)n2)cc1 ZINC000843158936 635589052 /nfs/dbraw/zinc/58/90/52/635589052.db2.gz IOFSNQMRDKFRKW-UHFFFAOYSA-N 0 0 299.399 3.479 20 10 CGCDRN COc1ccc(N(C)Cc2nc3c(o2)CCCC3)cc1 ZINC000878801059 635631693 /nfs/dbraw/zinc/63/16/93/635631693.db2.gz DSERSVCKMDLZER-UHFFFAOYSA-N 0 0 272.348 3.198 20 10 CGCDRN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843427338 635671236 /nfs/dbraw/zinc/67/12/36/635671236.db2.gz LQNUNVDOIGNTKY-MWLCHTKSSA-N 0 0 289.778 3.071 20 10 CGCDRN CCOc1ccc(N(Cc2nc(C)no2)CC2CC2)cc1 ZINC000879117027 635706761 /nfs/dbraw/zinc/70/67/61/635706761.db2.gz HLDWWNQJUNJMDS-UHFFFAOYSA-N 0 0 287.363 3.193 20 10 CGCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2CCC(=O)O2)cc1 ZINC000879117431 635706922 /nfs/dbraw/zinc/70/69/22/635706922.db2.gz RMVFLUPHRXXBDN-INIZCTEOSA-N 0 0 289.375 3.007 20 10 CGCDRN CCOc1ccc(N(Cc2cnns2)CC2CC2)cc1 ZINC000879117178 635707075 /nfs/dbraw/zinc/70/70/75/635707075.db2.gz KUZMHGNHBAKUJG-UHFFFAOYSA-N 0 0 289.404 3.353 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCC(C)=C(C)C2)c1 ZINC000843832248 635786650 /nfs/dbraw/zinc/78/66/50/635786650.db2.gz VGTOOERUQFVBNF-ZDUSSCGKSA-N 0 0 289.375 3.154 20 10 CGCDRN Cc1ccc(C(=O)N2CCCC[C@H]2C2CCC2)c(O)c1O ZINC000844124017 635825084 /nfs/dbraw/zinc/82/50/84/635825084.db2.gz LWAHOPUQXJAYQK-AWEZNQCLSA-N 0 0 289.375 3.201 20 10 CGCDRN C[C@@H](N[C@H](C(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000879649638 635826989 /nfs/dbraw/zinc/82/69/89/635826989.db2.gz AHWGMXOJZVEVCB-ABAIWWIYSA-N 0 0 291.391 3.163 20 10 CGCDRN CCN1C(=O)/C(=C/c2cccc3c2CCC3)SC1=S ZINC000844275453 635853271 /nfs/dbraw/zinc/85/32/71/635853271.db2.gz XJRLBMZMZDUCEZ-LCYFTJDESA-N 0 0 289.425 3.396 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC000844304407 635864407 /nfs/dbraw/zinc/86/44/07/635864407.db2.gz CZPMPXNDAXWYFE-DLBZAZTESA-N 0 0 286.419 3.195 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)nc2C)cc1 ZINC000844352663 635877678 /nfs/dbraw/zinc/87/76/78/635877678.db2.gz BGNSUWZJEHEHHX-UHFFFAOYSA-N 0 0 256.349 3.343 20 10 CGCDRN CCc1nc(CN(C)c2ccc(OC)cc2)cs1 ZINC000844353118 635877767 /nfs/dbraw/zinc/87/77/67/635877767.db2.gz HDOOQLHKELJGDQ-UHFFFAOYSA-N 0 0 262.378 3.351 20 10 CGCDRN Cc1ccc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846019590 636130437 /nfs/dbraw/zinc/13/04/37/636130437.db2.gz ZVWVDGSSGZVFBJ-SJKOYZFVSA-N 0 0 289.350 3.051 20 10 CGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C2(CCC2)CO1 ZINC000846067552 636140441 /nfs/dbraw/zinc/14/04/41/636140441.db2.gz SVBZBAPUIKAFST-NSHDSACASA-N 0 0 281.783 3.189 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846372327 636179421 /nfs/dbraw/zinc/17/94/21/636179421.db2.gz IINSHUZNDYJRKS-JHSWMASBSA-N 0 0 289.375 3.052 20 10 CGCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)n1cccc1 ZINC000846473213 636187026 /nfs/dbraw/zinc/18/70/26/636187026.db2.gz RJCQFGLWVVFLSM-NSHDSACASA-N 0 0 292.766 3.115 20 10 CGCDRN CCC/C(C)=C\C(=O)NCc1cc(Cl)ccc1O ZINC000846473552 636187460 /nfs/dbraw/zinc/18/74/60/636187460.db2.gz TYUZWOSXQPQBLH-YFHOEESVSA-N 0 0 267.756 3.408 20 10 CGCDRN Cc1ccc([C@H](C)C(=O)NCc2cc(Cl)ccc2O)o1 ZINC000846475338 636187989 /nfs/dbraw/zinc/18/79/89/636187989.db2.gz GFVQANMMPUUHMX-JTQLQIEISA-N 0 0 293.750 3.367 20 10 CGCDRN CN(CCc1cnn(C)c1)c1ccc(-c2nccs2)cc1 ZINC000846995539 636304132 /nfs/dbraw/zinc/30/41/32/636304132.db2.gz NUQVHKBJQTVZET-UHFFFAOYSA-N 0 0 298.415 3.223 20 10 CGCDRN CN1CCc2cc(/C=C3/N=C(C(C)(C)C)OC3=O)ccc21 ZINC000129666372 636332935 /nfs/dbraw/zinc/33/29/35/636332935.db2.gz FIKWDVXKPSDZHX-JLHYYAGUSA-N 0 0 284.359 3.021 20 10 CGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000130738212 636504924 /nfs/dbraw/zinc/50/49/24/636504924.db2.gz VMQIJGPMKAVGTI-ZDUSSCGKSA-N 0 0 289.423 3.083 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000883077318 636530923 /nfs/dbraw/zinc/53/09/23/636530923.db2.gz GADASKXITSSOFW-HNNXBMFYSA-N 0 0 290.313 3.306 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000883077319 636531412 /nfs/dbraw/zinc/53/14/12/636531412.db2.gz GADASKXITSSOFW-OAHLLOKOSA-N 0 0 290.313 3.306 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C1CCC1 ZINC000131010723 636544601 /nfs/dbraw/zinc/54/46/01/636544601.db2.gz UAFRXBRTQLYTRW-ZDUSSCGKSA-N 0 0 289.423 3.049 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000883195921 636578615 /nfs/dbraw/zinc/57/86/15/636578615.db2.gz FZZUXGLUXJFIDR-LSDHHAIUSA-N 0 0 297.345 3.108 20 10 CGCDRN COc1ccc(N(C)Cc2cccnc2)cc1Cl ZINC000131441737 636656608 /nfs/dbraw/zinc/65/66/08/636656608.db2.gz BKAPFXDHHYEDEM-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN C[C@@H](NC1(c2ncccn2)CCC1)c1ccc(N(C)C)cc1 ZINC000883314270 636664497 /nfs/dbraw/zinc/66/44/97/636664497.db2.gz ZUXAGECYIHOYFF-CQSZACIVSA-N 0 0 296.418 3.273 20 10 CGCDRN CCc1cccc(CN2CCOC[C@H]2c2ccco2)c1O ZINC000848884005 636673495 /nfs/dbraw/zinc/67/34/95/636673495.db2.gz GMLRHYMBJWOEKG-HNNXBMFYSA-N 0 0 287.359 3.121 20 10 CGCDRN CCc1cccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000848915858 636689704 /nfs/dbraw/zinc/68/97/04/636689704.db2.gz MRWMAGBRYUPFQH-INIZCTEOSA-N 0 0 299.418 3.271 20 10 CGCDRN CCOc1cccc(C[N@H+](CC)CC(C)C)c1O ZINC000132042116 636776684 /nfs/dbraw/zinc/77/66/84/636776684.db2.gz XQXXMYPGHKDECO-UHFFFAOYSA-N 0 0 251.370 3.269 20 10 CGCDRN O=C([O-])CCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000086755592 636782759 /nfs/dbraw/zinc/78/27/59/636782759.db2.gz RPNILGUSHPLBHE-UHFFFAOYSA-N 0 0 297.782 3.122 20 10 CGCDRN CCC[C@H](C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000883877972 636868055 /nfs/dbraw/zinc/86/80/55/636868055.db2.gz ZFJJUNDZFLNGNJ-LBPRGKRZSA-N 0 0 276.380 3.244 20 10 CGCDRN CC[N@H+](CCOC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133261439 636887623 /nfs/dbraw/zinc/88/76/23/636887623.db2.gz GDHAVIZCKHGBHY-UHFFFAOYSA-N 0 0 278.179 3.167 20 10 CGCDRN Cc1nnc([C@@H](C)Sc2ncc(Cl)s2)o1 ZINC000849999101 636924353 /nfs/dbraw/zinc/92/43/53/636924353.db2.gz NNZYVSZNDUVQNN-SCSAIBSYSA-N 0 0 261.759 3.341 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000133744089 636972881 /nfs/dbraw/zinc/97/28/81/636972881.db2.gz HJKOYOKAMDQWGO-UHFFFAOYSA-N 0 0 256.305 3.022 20 10 CGCDRN COC1CC(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850481385 637085811 /nfs/dbraw/zinc/08/58/11/637085811.db2.gz GSICPUWVTJNPFL-GRZMOONWSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000850492276 637089893 /nfs/dbraw/zinc/08/98/93/637089893.db2.gz CIPWBTHRDTZDEM-CMPLNLGQSA-N 0 0 298.377 3.194 20 10 CGCDRN COc1cccc(OC)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850505122 637093108 /nfs/dbraw/zinc/09/31/08/637093108.db2.gz NDGWQGVJRHDLBK-AWEZNQCLSA-N 0 0 299.370 3.187 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000850556177 637119802 /nfs/dbraw/zinc/11/98/02/637119802.db2.gz QEQHAQOEVLXYQZ-QFYYESIMSA-N 0 0 277.364 3.018 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)oc1C ZINC000136115255 637288826 /nfs/dbraw/zinc/28/88/26/637288826.db2.gz PKTZFUCIXCQEPS-UHFFFAOYSA-N 0 0 290.338 3.032 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1cccs1 ZINC000136946459 637410645 /nfs/dbraw/zinc/41/06/45/637410645.db2.gz NTXMFYKHAGLHTR-CMDGGOBGSA-N 0 0 273.357 3.126 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1c([O-])cccc1F ZINC000886508581 637545852 /nfs/dbraw/zinc/54/58/52/637545852.db2.gz FNZVIUSJRUPNHP-ZUZCIYMTSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1c([O-])cccc1F ZINC000886520624 637551319 /nfs/dbraw/zinc/55/13/19/637551319.db2.gz IOQIYRUUFRNLLO-LLVKDONJSA-N 0 0 287.334 3.317 20 10 CGCDRN CC(C)c1cc(CN[C@H](C)c2c(O)cccc2F)on1 ZINC000886528159 637555297 /nfs/dbraw/zinc/55/52/97/637555297.db2.gz HWZJDIXPKGGISB-SNVBAGLBSA-N 0 0 278.327 3.494 20 10 CGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1c([O-])cccc1F ZINC000886531217 637555924 /nfs/dbraw/zinc/55/59/24/637555924.db2.gz YCWXPYROKYYEIF-BMIGLBTASA-N 0 0 295.379 3.151 20 10 CGCDRN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1c([O-])cccc1F ZINC000886535314 637559609 /nfs/dbraw/zinc/55/96/09/637559609.db2.gz YGUORUWOUCLQFY-GFCCVEGCSA-N 0 0 281.371 3.125 20 10 CGCDRN COC[C@@H](N[C@@H](C)c1c(O)cccc1F)c1ccc(C)o1 ZINC000886534825 637560070 /nfs/dbraw/zinc/56/00/70/637560070.db2.gz PEDDAPTUOJLQKG-WCQYABFASA-N 0 0 293.338 3.471 20 10 CGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886543153 637569640 /nfs/dbraw/zinc/56/96/40/637569640.db2.gz LGWLGUYWSNKTKV-JTNHKYCSSA-N 0 0 293.338 3.287 20 10 CGCDRN CCC1(O)CCC([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886543823 637571102 /nfs/dbraw/zinc/57/11/02/637571102.db2.gz VVKOOBKGWFKPSH-OPGSHWCFSA-N 0 0 281.371 3.266 20 10 CGCDRN C[C@@H]([NH2+]C1CCSCC1)c1c([O-])cccc1F ZINC000886545502 637572997 /nfs/dbraw/zinc/57/29/97/637572997.db2.gz MYCRCHXYYNCVLP-SECBINFHSA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1c([O-])cccc1F ZINC000886594248 637597307 /nfs/dbraw/zinc/59/73/07/637597307.db2.gz ISUOQAWRMUVCRN-QWRGUYRKSA-N 0 0 267.344 3.140 20 10 CGCDRN CCSCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886606841 637601727 /nfs/dbraw/zinc/60/17/27/637601727.db2.gz HGAOQVTUNMVGTC-JTQLQIEISA-N 0 0 257.374 3.325 20 10 CGCDRN CCc1noc(C)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886614357 637607093 /nfs/dbraw/zinc/60/70/93/637607093.db2.gz UVPZMGUJPKKIJE-SECBINFHSA-N 0 0 278.327 3.241 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)OC ZINC000886617480 637608134 /nfs/dbraw/zinc/60/81/34/637608134.db2.gz PIPUWRABLOCPLD-MJVIPROJSA-N 0 0 269.360 3.243 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1c([O-])cccc1F ZINC000886638496 637622681 /nfs/dbraw/zinc/62/26/81/637622681.db2.gz WARDXTGCRQJDCW-QPUJVOFHSA-N 0 0 259.271 3.227 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2(C3CC3)CCC2)c1 ZINC000886825399 637709636 /nfs/dbraw/zinc/70/96/36/637709636.db2.gz RWMLCTJWYKYMDJ-LLVKDONJSA-N 0 0 289.375 3.162 20 10 CGCDRN Cc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000853484251 637852879 /nfs/dbraw/zinc/85/28/79/637852879.db2.gz DFIBJBPDEWPJRW-LBPRGKRZSA-N 0 0 256.353 3.024 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CC2(CCC2)C1 ZINC000829314897 638215959 /nfs/dbraw/zinc/21/59/59/638215959.db2.gz XLCARTDXHNPPRX-UHFFFAOYSA-N 0 0 251.757 3.468 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](C2CCCCC2)C1 ZINC000855635939 638226087 /nfs/dbraw/zinc/22/60/87/638226087.db2.gz FWRMTHJBOROULG-LBPRGKRZSA-N 0 0 279.405 3.496 20 10 CGCDRN CC[C@@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000856272166 638331945 /nfs/dbraw/zinc/33/19/45/638331945.db2.gz BKEGOXRMVRQAMX-HRNWIBGVSA-N 0 0 289.375 3.291 20 10 CGCDRN Cc1nc2c(o1)CCC[C@H]2NCc1ccc(N(C)C)cc1 ZINC000924572773 638366078 /nfs/dbraw/zinc/36/60/78/638366078.db2.gz DRXQLAUDXWVXSS-OAHLLOKOSA-N 0 0 285.391 3.216 20 10 CGCDRN CC1CC(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000857064548 638448692 /nfs/dbraw/zinc/44/86/92/638448692.db2.gz WCAYAURAHKKIQW-UHFFFAOYSA-N 0 0 257.736 3.320 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)n1 ZINC000115280483 638515740 /nfs/dbraw/zinc/51/57/40/638515740.db2.gz RFGQQNCAYITPIE-UHFFFAOYSA-N 0 0 297.402 3.003 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000858155008 638645772 /nfs/dbraw/zinc/64/57/72/638645772.db2.gz XSUFVLSGLQPSLQ-BXUZGUMPSA-N 0 0 276.380 3.079 20 10 CGCDRN CCc1ccccc1CNC(=O)NCc1cc(C)ccc1O ZINC000858244119 638662444 /nfs/dbraw/zinc/66/24/44/638662444.db2.gz UPPJRPHQFPNBEZ-UHFFFAOYSA-N 0 0 298.386 3.262 20 10 CGCDRN CCCOc1cncc(NCc2c(O)cccc2OC)c1 ZINC000858256548 638665773 /nfs/dbraw/zinc/66/57/73/638665773.db2.gz SGGNDDLSUNYNEK-UHFFFAOYSA-N 0 0 288.347 3.197 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC(C)(C)C2)c1 ZINC000858339320 638686587 /nfs/dbraw/zinc/68/65/87/638686587.db2.gz WVZJQJHMEOHKAS-CYBMUJFWSA-N 0 0 276.380 3.079 20 10 CGCDRN c1nc2c(s1)CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000858358865 638692102 /nfs/dbraw/zinc/69/21/02/638692102.db2.gz APYYIRCJDQWRCQ-CYBMUJFWSA-N 0 0 286.400 3.245 20 10 CGCDRN COc1cc(N[C@H](C)c2ccc(C)cc2O)cnc1OC ZINC000858482863 638736313 /nfs/dbraw/zinc/73/63/13/638736313.db2.gz VJXYCZXOLFDJOC-LLVKDONJSA-N 0 0 288.347 3.286 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CO)CCC(C)C)c1ccc(F)cc1[O-] ZINC000858485963 638737564 /nfs/dbraw/zinc/73/75/64/638737564.db2.gz QWDKLCVGNYBMBS-HIFRSBDPSA-N 0 0 283.387 3.369 20 10 CGCDRN C/C(=C\C(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928708247 638889283 /nfs/dbraw/zinc/88/92/83/638889283.db2.gz JIKDDFXEXQWUTE-CSKARUKUSA-N 0 0 265.328 3.140 20 10 CGCDRN COc1ccc(N(C)CCOC2CCSCC2)cc1 ZINC000930844758 639074941 /nfs/dbraw/zinc/07/49/41/639074941.db2.gz JOGQQNREELIJMK-UHFFFAOYSA-N 0 0 281.421 3.044 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC/C=C/c1ccccc1 ZINC000116794182 639151358 /nfs/dbraw/zinc/15/13/58/639151358.db2.gz GRZQNEYQRVPNRY-DHIFYFQBSA-N 0 0 296.322 3.368 20 10 CGCDRN CC[C@@H](C)CCC(=O)NCc1ccc2cccnc2c1O ZINC000862026389 639634736 /nfs/dbraw/zinc/63/47/36/639634736.db2.gz MWZXPRTXPPQQST-GFCCVEGCSA-N 0 0 286.375 3.383 20 10 CGCDRN CCC1(C(=O)NCc2ccc3cccnc3c2O)CCC1 ZINC000862027070 639634812 /nfs/dbraw/zinc/63/48/12/639634812.db2.gz ILKNRQSAGADVPJ-UHFFFAOYSA-N 0 0 284.359 3.137 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)C1=CCCCC1 ZINC000862026357 639635049 /nfs/dbraw/zinc/63/50/49/639635049.db2.gz LTDZSAUIFKXYKH-UHFFFAOYSA-N 0 0 282.343 3.057 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C2CC2)C2CC2)c1 ZINC000156440709 639978705 /nfs/dbraw/zinc/97/87/05/639978705.db2.gz BHAQBTFOQSMWJV-SNVBAGLBSA-N 0 0 289.375 3.014 20 10 CGCDRN CO[C@H](C)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000188372713 640133438 /nfs/dbraw/zinc/13/34/38/640133438.db2.gz XYSNDNLNUWAXPY-SNVBAGLBSA-N 0 0 287.315 3.058 20 10 CGCDRN Cc1cc(O)c(CNc2ncn(-c3ccccc3)n2)cc1C ZINC000191151239 640293689 /nfs/dbraw/zinc/29/36/89/640293689.db2.gz OYYNPFHOAOAPBJ-UHFFFAOYSA-N 0 0 294.358 3.202 20 10 CGCDRN Cc1cc(C)nc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000192809195 640407751 /nfs/dbraw/zinc/40/77/51/640407751.db2.gz HOPRZDJONQHLBX-UHFFFAOYSA-N 0 0 282.391 3.306 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccsc2)cc1 ZINC000193646459 640481710 /nfs/dbraw/zinc/48/17/10/640481710.db2.gz XKRSLFPJUKWPNH-UHFFFAOYSA-N 0 0 288.416 3.015 20 10 CGCDRN CN(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000195255907 640575938 /nfs/dbraw/zinc/57/59/38/640575938.db2.gz JGXAQKMYWVRDLV-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN Cc1cccc([N+](=O)[O-])c1NCc1ccccc1O ZINC000083429988 640597493 /nfs/dbraw/zinc/59/74/93/640597493.db2.gz WOFXGXUNPDLZOJ-UHFFFAOYSA-N 0 0 258.277 3.221 20 10 CGCDRN Oc1ccc(Cl)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000093455873 640771744 /nfs/dbraw/zinc/77/17/44/640771744.db2.gz BTLWXPSPZBAOJF-UHFFFAOYSA-N 0 0 251.757 3.422 20 10 CGCDRN CC(C)c1cc(CNCc2c(O)cccc2Cl)on1 ZINC000114510150 641000479 /nfs/dbraw/zinc/00/04/79/641000479.db2.gz XPAYWSVZGAEQFH-UHFFFAOYSA-N 0 0 280.755 3.447 20 10 CGCDRN Cc1ccc2nc(NC(=O)C3=CC(=O)CS3)sc2n1 ZINC001156013830 805640520 /nfs/dbraw/zinc/64/05/20/805640520.db2.gz BBGQBPPXMDDRHT-UHFFFAOYSA-N 0 0 291.357 3.019 20 10 CGCDRN CC(C)(O)CNc1ccccc1C(=O)c1ccccc1 ZINC001252358901 806040902 /nfs/dbraw/zinc/04/09/02/806040902.db2.gz ITQQBEZBGJJTMQ-UHFFFAOYSA-N 0 0 269.344 3.100 20 10 CGCDRN Nc1ccc(Nc2cc(=O)[nH]c3ccccc23)cc1 ZINC001159188598 806058290 /nfs/dbraw/zinc/05/82/90/806058290.db2.gz RSVVGBFVMPAUSL-UHFFFAOYSA-N 0 0 251.289 3.266 20 10 CGCDRN COc1cc(Br)nc(Nc2ccc(N)cc2)c1 ZINC001159365208 806087546 /nfs/dbraw/zinc/08/75/46/806087546.db2.gz AYHRNOZGPBXYRR-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN CCOc1cc(Nc2ccc3c(c2)CCN3)ccn1 ZINC001159523024 806117301 /nfs/dbraw/zinc/11/73/01/806117301.db2.gz UGPWBOIDUSUFTN-UHFFFAOYSA-N 0 0 255.321 3.192 20 10 CGCDRN Cc1cccc(CNc2ncnc3sccc32)c1O ZINC001160764390 806300238 /nfs/dbraw/zinc/30/02/38/806300238.db2.gz GLJDAMMPKDFNNR-UHFFFAOYSA-N 0 0 271.345 3.317 20 10 CGCDRN Cc1cccc(CNc2cc(Cl)nc(C)n2)c1O ZINC001160764420 806300487 /nfs/dbraw/zinc/30/04/87/806300487.db2.gz IMKFMCBKFYXKMT-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN COc1ccc(C)nc1NCc1c(C)cc(C)cc1O ZINC001160809962 806306217 /nfs/dbraw/zinc/30/62/17/806306217.db2.gz GPXARIWMVDUQJO-UHFFFAOYSA-N 0 0 272.348 3.333 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)[C@@H]1C ZINC001161251444 806360985 /nfs/dbraw/zinc/36/09/85/806360985.db2.gz XPWPFANFGCPQHL-GMTAPVOTSA-N 0 0 295.354 3.039 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NCc2cnn(C)c2)cc1 ZINC001161852916 806472199 /nfs/dbraw/zinc/47/21/99/806472199.db2.gz NIZGPVSXWRJAGU-UHFFFAOYSA-N 0 0 280.375 3.440 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NCC2COC2)cc1 ZINC001161948977 806488667 /nfs/dbraw/zinc/48/86/67/806488667.db2.gz CTUMJRWQFKQQBJ-UHFFFAOYSA-N 0 0 256.349 3.152 20 10 CGCDRN CC(C)(C)OC(=O)c1ccnc(NCc2ccc(N)cc2)c1 ZINC001162784821 806664491 /nfs/dbraw/zinc/66/44/91/806664491.db2.gz YFEKVMGITHIWAU-UHFFFAOYSA-N 0 0 299.374 3.231 20 10 CGCDRN Nc1ccc(CNc2ncnc3cc(Cl)ccc32)cc1 ZINC001162783906 806664538 /nfs/dbraw/zinc/66/45/38/806664538.db2.gz CHDLFBWAWWBYLI-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN Cc1cc(Cl)ncc1C(F)(F)NCc1ccc(N)cc1 ZINC001162785580 806665536 /nfs/dbraw/zinc/66/55/36/806665536.db2.gz IIUHYVOQWICPED-UHFFFAOYSA-N 0 0 297.736 3.465 20 10 CGCDRN CCc1nc(NCc2ccc(N)cc2)c(Cl)nc1C ZINC001162790456 806667354 /nfs/dbraw/zinc/66/73/54/806667354.db2.gz TUVDKRGTYKVKEH-UHFFFAOYSA-N 0 0 276.771 3.195 20 10 CGCDRN O=C(CCc1ccco1)NCc1ccc(N2CCCC2)cc1 ZINC000028330745 798842900 /nfs/dbraw/zinc/84/29/00/798842900.db2.gz VZARCHGRHRFUHT-UHFFFAOYSA-N 0 0 298.386 3.129 20 10 CGCDRN CCN(CC)c1ccc(NCc2ccccc2O)cn1 ZINC000037003399 798855568 /nfs/dbraw/zinc/85/55/68/798855568.db2.gz HATKZRPVGRPCKR-UHFFFAOYSA-N 0 0 271.364 3.246 20 10 CGCDRN OCc1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000037048638 798857067 /nfs/dbraw/zinc/85/70/67/798857067.db2.gz XAYCLTRRCFRPDD-UHFFFAOYSA-N 0 0 263.724 3.150 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2CCc3ccccc32)c1O ZINC000037322454 798866443 /nfs/dbraw/zinc/86/64/43/798866443.db2.gz GIWRNLWBMQEUFK-UHFFFAOYSA-N 0 0 285.318 3.297 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(C)cc2OC)c1 ZINC000037783462 798875173 /nfs/dbraw/zinc/87/51/73/798875173.db2.gz TXJCLEOJPGWLRA-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CC2CCC1CC2 ZINC000381778323 799387775 /nfs/dbraw/zinc/38/77/75/799387775.db2.gz ZDEWXKVIVADIFR-PSQDLTRKSA-N 0 0 286.419 3.142 20 10 CGCDRN CC(C)c1ccc(OCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000386478462 799437159 /nfs/dbraw/zinc/43/71/59/799437159.db2.gz ZOHPIEFFQICHCS-UHFFFAOYSA-N 0 0 298.386 3.434 20 10 CGCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000390797677 799475506 /nfs/dbraw/zinc/47/55/06/799475506.db2.gz ULWRJUNERUDSNT-KWQFWETISA-N 0 0 257.786 3.029 20 10 CGCDRN COCC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000394059493 799493484 /nfs/dbraw/zinc/49/34/84/799493484.db2.gz JRNGNHGKSNWZNG-UHFFFAOYSA-N 0 0 292.206 3.461 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CS1 ZINC000397897074 799523144 /nfs/dbraw/zinc/52/31/44/799523144.db2.gz ROLIAEZVEZQSKX-BDAKNGLRSA-N 0 0 257.786 3.029 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCCC(F)(F)C1 ZINC000404963126 799580262 /nfs/dbraw/zinc/58/02/62/799580262.db2.gz WGVNTLXLMGRYOJ-UHFFFAOYSA-N 0 0 261.699 3.277 20 10 CGCDRN Cc1cc(C)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588403268 799688902 /nfs/dbraw/zinc/68/89/02/799688902.db2.gz CZCOGLWDUPCXBZ-XQRVVYSFSA-N 0 0 283.327 3.367 20 10 CGCDRN CC(C)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406654 799689112 /nfs/dbraw/zinc/68/91/12/799689112.db2.gz WSFRNFSIFOEQDE-XQRVVYSFSA-N 0 0 289.375 3.006 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCC2 ZINC000588403360 799689475 /nfs/dbraw/zinc/68/94/75/799689475.db2.gz HZXDRSMSAASHSO-UITAMQMPSA-N 0 0 295.338 3.238 20 10 CGCDRN CN1C(=O)/C(=C\c2cc(Cl)cs2)SC1=S ZINC000588600850 799720387 /nfs/dbraw/zinc/72/03/87/799720387.db2.gz JIIYSUIXOWRSEU-XVNBXDOJSA-N 0 0 275.807 3.233 20 10 CGCDRN CC[C@@]1(C)COCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000687973286 799742782 /nfs/dbraw/zinc/74/27/82/799742782.db2.gz KYRUXTAQTPSDTK-AWEZNQCLSA-N 0 0 269.772 3.047 20 10 CGCDRN CC[C@]1(C)COCCN1Cc1cc(Cl)ccc1O ZINC000687973791 799743763 /nfs/dbraw/zinc/74/37/63/799743763.db2.gz MUPCHFOVNJKDIX-CQSZACIVSA-N 0 0 269.772 3.047 20 10 CGCDRN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccn1 ZINC000692696332 799797043 /nfs/dbraw/zinc/79/70/43/799797043.db2.gz OXHHRVRVCDOVMM-VXGBXAGGSA-N 0 0 274.339 3.381 20 10 CGCDRN CN(C(=O)[C@H]1CCCC2(CC2)C1)c1ccc(N)cc1 ZINC000695920612 799836318 /nfs/dbraw/zinc/83/63/18/799836318.db2.gz JOALPKIHWIIPJB-LBPRGKRZSA-N 0 0 258.365 3.202 20 10 CGCDRN CCN(CC)c1ccc(CNCC(C)(F)F)cc1 ZINC000697628860 799847641 /nfs/dbraw/zinc/84/76/41/799847641.db2.gz URUQMDHLHSZCIQ-UHFFFAOYSA-N 0 0 256.340 3.278 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])CC(F)F ZINC000700030014 799868029 /nfs/dbraw/zinc/86/80/29/799868029.db2.gz PSANAOYWBFPKFR-MRVPVSSYSA-N 0 0 263.715 3.427 20 10 CGCDRN CSC1CC([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000708305534 799985005 /nfs/dbraw/zinc/98/50/05/799985005.db2.gz MMZJBNYXMSPQRN-UHFFFAOYSA-N 0 0 257.786 3.029 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000708383890 799986428 /nfs/dbraw/zinc/98/64/28/799986428.db2.gz OCJMLIATIJSZAG-PHIMTYICSA-N 0 0 267.319 3.292 20 10 CGCDRN CC(C)n1cc(NCc2cc(F)cc(F)c2O)cn1 ZINC000708494290 799990572 /nfs/dbraw/zinc/99/05/72/799990572.db2.gz DZCRIGNWWUJWCU-UHFFFAOYSA-N 0 0 267.279 3.060 20 10 CGCDRN CS[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708553412 799992562 /nfs/dbraw/zinc/99/25/62/799992562.db2.gz BVVOFWMCSUHGFS-VXGBXAGGSA-N 0 0 287.375 3.434 20 10 CGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@]12C[C@H]1CCCC2 ZINC000709079102 800002894 /nfs/dbraw/zinc/00/28/94/800002894.db2.gz JGSUFHHDYAUGLN-OZVIIMIRSA-N 0 0 273.380 3.359 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccn1 ZINC000709616399 800010797 /nfs/dbraw/zinc/01/07/97/800010797.db2.gz OLTISKUDYCEEDA-NSHDSACASA-N 0 0 276.767 3.334 20 10 CGCDRN O=C(c1ccc(F)cc1)c1ccc(Cl)cc1NCCO ZINC000809194523 800417574 /nfs/dbraw/zinc/41/75/74/800417574.db2.gz BRSBGDUKLGHLQY-UHFFFAOYSA-N 0 0 293.725 3.114 20 10 CGCDRN Cc1occc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000840733394 800498947 /nfs/dbraw/zinc/49/89/47/800498947.db2.gz PYZISGYQUIIIKL-FMIVXFBMSA-N 0 0 276.361 3.044 20 10 CGCDRN CCOC1CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC001256445000 806901402 /nfs/dbraw/zinc/90/14/02/806901402.db2.gz DLLCKFLZBXNGKD-UHFFFAOYSA-N 0 0 263.381 3.172 20 10 CGCDRN Cc1ccc(-c2nnc(-c3ccc(O)c(O)c3O)o2)cc1C ZINC001256530756 806910763 /nfs/dbraw/zinc/91/07/63/806910763.db2.gz DZMSOIORGDJELE-UHFFFAOYSA-N 0 0 298.298 3.137 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1ccc(F)cc1[O-] ZINC001117114009 802434137 /nfs/dbraw/zinc/43/41/37/802434137.db2.gz ZJWQLWXAAQVUBZ-SCRDCRAPSA-N 0 0 267.344 3.140 20 10 CGCDRN COCc1nnc(-c2ccc(-n3c(C)ccc3C)cc2)o1 ZINC001117262753 802457385 /nfs/dbraw/zinc/45/73/85/802457385.db2.gz AGOFINJFKMDGSP-UHFFFAOYSA-N 0 0 283.331 3.291 20 10 CGCDRN C[C@@H](NC(=O)NC/C=C/C1CC1)c1ccc(N(C)C)cc1 ZINC001117855900 802508218 /nfs/dbraw/zinc/50/82/18/802508218.db2.gz NDQACARWWKTGAC-MUBLQREKSA-N 0 0 287.407 3.079 20 10 CGCDRN CCCn1ncc(NC(=O)C2=CC(=O)CS2)c1C1CC1 ZINC001118762478 802597878 /nfs/dbraw/zinc/59/78/78/802597878.db2.gz DCMXNWOZNXEBCI-UHFFFAOYSA-N 0 0 291.376 3.190 20 10 CGCDRN CS[C@H]1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508260 802673910 /nfs/dbraw/zinc/67/39/10/802673910.db2.gz YKCDYDKNKBLYKE-RYUDHWBXSA-N 0 0 287.375 3.386 20 10 CGCDRN C[C@H](CCC(C)(C)C)NC(=O)NCc1ccc(N)cc1 ZINC001120602111 802752170 /nfs/dbraw/zinc/75/21/70/802752170.db2.gz ASGRINKGPSIBAA-GFCCVEGCSA-N 0 0 277.412 3.283 20 10 CGCDRN CCC[C@H]1CCCN1c1nnc(C2SC=CC2=O)n1C ZINC001121273340 802827006 /nfs/dbraw/zinc/82/70/06/802827006.db2.gz FWZANUJZNFFXOR-JTQLQIEISA-N 0 0 292.408 3.018 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2cc(F)ccc21 ZINC001126121980 803083528 /nfs/dbraw/zinc/08/35/28/803083528.db2.gz ZGSRAYSQXXLAIZ-XFXZXTDPSA-N 0 0 298.317 3.050 20 10 CGCDRN CCn1ccc(-c2c(Cl)ccnc2Cl)cc1=O ZINC001244939865 803583890 /nfs/dbraw/zinc/58/38/90/803583890.db2.gz BVTKQTRXQSJHDR-UHFFFAOYSA-N 0 0 269.131 3.237 20 10 CGCDRN CN(Cc1ccccc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001135479276 803598313 /nfs/dbraw/zinc/59/83/13/803598313.db2.gz GXVVKYFNCCLRFX-UHFFFAOYSA-N 0 0 296.330 3.121 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2cnccc2Cl)cc1 ZINC001137239455 803703680 /nfs/dbraw/zinc/70/36/80/803703680.db2.gz VWTSJXRXDOOCGA-UHFFFAOYSA-N 0 0 289.810 3.433 20 10 CGCDRN c1c2cccnc2[nH]c1-c1ccc(N2CCOCC2)cc1 ZINC001245400253 803727394 /nfs/dbraw/zinc/72/73/94/803727394.db2.gz LNRPHWMQBOPDBQ-UHFFFAOYSA-N 0 0 279.343 3.067 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCc2ccccc2C1 ZINC001137831851 803778093 /nfs/dbraw/zinc/77/80/93/803778093.db2.gz PYKSACQXJXTJGZ-UHFFFAOYSA-N 0 0 257.308 3.090 20 10 CGCDRN CCCOC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219609 803874311 /nfs/dbraw/zinc/87/43/11/803874311.db2.gz JOBMKVPQJNNQTH-UHFFFAOYSA-N 0 0 288.435 3.288 20 10 CGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H](C)CC12CC2 ZINC001139133586 804134500 /nfs/dbraw/zinc/13/45/00/804134500.db2.gz IJLDXIDPQPIFJB-LLVKDONJSA-N 0 0 299.370 3.181 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001139681102 804249094 /nfs/dbraw/zinc/24/90/94/804249094.db2.gz IGQZGOPFLMGRBK-MNOVXSKESA-N 0 0 267.319 3.292 20 10 CGCDRN C[C@H]1CCCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683101 804251330 /nfs/dbraw/zinc/25/13/30/804251330.db2.gz GFWPKIZEOFPRKO-JTQLQIEISA-N 0 0 255.308 3.435 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCc2ccccc2CC1 ZINC001139683241 804253318 /nfs/dbraw/zinc/25/33/18/804253318.db2.gz JCIFWFSBFCWTJP-UHFFFAOYSA-N 0 0 289.325 3.271 20 10 CGCDRN Cc1cc(-c2noc(-c3csnn3)n2)cc(C)c1F ZINC001212362426 815010274 /nfs/dbraw/zinc/01/02/74/815010274.db2.gz SYXWLBVNVNVBGY-UHFFFAOYSA-N 0 0 276.296 3.011 20 10 CGCDRN Fc1ccc(Cl)c(-c2noc(-c3csnn3)n2)c1 ZINC001212362705 815010817 /nfs/dbraw/zinc/01/08/17/815010817.db2.gz XRAOVTKLDOZLAV-UHFFFAOYSA-N 0 0 282.687 3.048 20 10 CGCDRN Cc1nc2c(s1)CN(Cc1ccc(Cl)cc1O)C2 ZINC001140464222 804441116 /nfs/dbraw/zinc/44/11/16/804441116.db2.gz HJYWGUDTHPXBHN-UHFFFAOYSA-N 0 0 280.780 3.326 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CC[C@H](CF)C(F)(F)C1 ZINC001140461814 804441183 /nfs/dbraw/zinc/44/11/83/804441183.db2.gz ULPGTDOBYAEDMI-SNVBAGLBSA-N 0 0 293.716 3.472 20 10 CGCDRN C[C@@]1(F)CCCC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140582342 804466017 /nfs/dbraw/zinc/46/60/17/804466017.db2.gz GOQDBJCWSXQLBA-CQSZACIVSA-N 0 0 273.298 3.385 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CCC2)CC1 ZINC001140582654 804466147 /nfs/dbraw/zinc/46/61/47/804466147.db2.gz LSJYHPMYTARLKA-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc3cnccc3c2)no1 ZINC001212405269 815020992 /nfs/dbraw/zinc/02/09/92/815020992.db2.gz KYQROJIEJUSXQC-UHFFFAOYSA-N 0 0 295.327 3.112 20 10 CGCDRN Cc1c(O)ccc(CN2CCCCC(F)(F)C2)c1O ZINC001140742427 804503689 /nfs/dbraw/zinc/50/36/89/804503689.db2.gz OCITYJUVLPXTLR-UHFFFAOYSA-N 0 0 271.307 3.027 20 10 CGCDRN CC(C)OCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935563 807013594 /nfs/dbraw/zinc/01/35/94/807013594.db2.gz OHHGRGCRMPODNW-UHFFFAOYSA-N 0 0 283.331 3.452 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCC3(CC3)C2)c(Cl)c1 ZINC001140922329 804548705 /nfs/dbraw/zinc/54/87/05/804548705.db2.gz OLAUZALZESRODG-UHFFFAOYSA-N 0 0 264.800 3.392 20 10 CGCDRN Cc1ccc(CN2CC(F)(F)C[C@]2(C)CF)c(O)c1 ZINC001140947967 804556433 /nfs/dbraw/zinc/55/64/33/804556433.db2.gz NPJRBEBUQACOLG-CYBMUJFWSA-N 0 0 273.298 3.270 20 10 CGCDRN Oc1ccc(O)c(CN2CCc3c4ccccc4oc3C2)c1 ZINC001141160945 804601662 /nfs/dbraw/zinc/60/16/62/804601662.db2.gz KJLOYYINMXHCHZ-UHFFFAOYSA-N 0 0 295.338 3.402 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)CCCC(C)C)c(O)c1O ZINC001141364869 804633901 /nfs/dbraw/zinc/63/39/01/804633901.db2.gz CAQKUFMVCBJPNT-GFCCVEGCSA-N 0 0 279.380 3.351 20 10 CGCDRN CC1(C)CCC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC001142302229 804714891 /nfs/dbraw/zinc/71/48/91/804714891.db2.gz TWIRWXRAJVFCJW-SNVBAGLBSA-N 0 0 267.394 3.400 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001142509154 804728688 /nfs/dbraw/zinc/72/86/88/804728688.db2.gz YWKKFBWHHDPZFQ-PHIMTYICSA-N 0 0 267.319 3.292 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509063 804729291 /nfs/dbraw/zinc/72/92/91/804729291.db2.gz VZPLAZHXTQFWHJ-SNVBAGLBSA-N 0 0 255.308 3.292 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1Cc2cnc(Cl)cc2C1 ZINC001142534783 804732934 /nfs/dbraw/zinc/73/29/34/804732934.db2.gz WSIFVLJVJSCOJS-UHFFFAOYSA-N 0 0 296.704 3.235 20 10 CGCDRN CCC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142723531 804762258 /nfs/dbraw/zinc/76/22/58/804762258.db2.gz AZRIEHJUMIMODE-HNNXBMFYSA-N 0 0 261.365 3.159 20 10 CGCDRN CC[N@H+](Cc1cccc2n[nH]cc21)Cc1ccccc1O ZINC001143097406 804799974 /nfs/dbraw/zinc/79/99/74/804799974.db2.gz ZTYFECPHQOHMAL-UHFFFAOYSA-N 0 0 281.359 3.291 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H](C)O)n2)cc1 ZINC001247938671 804853424 /nfs/dbraw/zinc/85/34/24/804853424.db2.gz BQDDBFUXAMZCDA-GFCCVEGCSA-N 0 0 283.331 3.197 20 10 CGCDRN CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC001143703009 804886413 /nfs/dbraw/zinc/88/64/13/804886413.db2.gz ITJVVWNRSXQHJF-GXTWGEPZSA-N 0 0 291.391 3.495 20 10 CGCDRN Nc1ccc(Cc2nc(-c3cc(F)ccc3F)no2)cc1 ZINC001248186336 804891705 /nfs/dbraw/zinc/89/17/05/804891705.db2.gz KGINVGBMMHTDOQ-UHFFFAOYSA-N 0 0 287.269 3.188 20 10 CGCDRN CC(C)(C)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC001148219944 805168952 /nfs/dbraw/zinc/16/89/52/805168952.db2.gz HHIMCYVVZFRTOC-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN CCN(Cc1ccccc1O)c1nc(C)cnc1Cl ZINC001154888692 805504099 /nfs/dbraw/zinc/50/40/99/805504099.db2.gz HVNOKRZSFIHVOD-UHFFFAOYSA-N 0 0 277.755 3.171 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc(F)c2cc[nH]c21 ZINC001154888431 805504718 /nfs/dbraw/zinc/50/47/18/805504718.db2.gz CCPRXCPUOJPZOT-UHFFFAOYSA-N 0 0 285.322 3.434 20 10 CGCDRN CCN(Cc1ccccc1O)c1ccc(-c2ccco2)nn1 ZINC001154890645 805506266 /nfs/dbraw/zinc/50/62/66/805506266.db2.gz HWWCSBSETJZCJB-UHFFFAOYSA-N 0 0 295.342 3.469 20 10 CGCDRN Nc1ccc(Nc2cc(OC(F)(F)F)ccc2CO)cc1 ZINC001250273495 805537080 /nfs/dbraw/zinc/53/70/80/805537080.db2.gz TWNGAIMNRLQQDP-UHFFFAOYSA-N 0 0 298.264 3.403 20 10 CGCDRN CC(=O)[C@H](C)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256969920 807020329 /nfs/dbraw/zinc/02/03/29/807020329.db2.gz GXTPHBBEOPYGRY-GFCCVEGCSA-N 0 0 295.342 3.295 20 10 CGCDRN Cc1c[nH]c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256978162 807021829 /nfs/dbraw/zinc/02/18/29/807021829.db2.gz AAHOTFNAIQFJPL-UHFFFAOYSA-N 0 0 291.314 3.226 20 10 CGCDRN COCCOc1ccccc1Nc1ccc(N)cc1 ZINC001212640193 815091905 /nfs/dbraw/zinc/09/19/05/815091905.db2.gz FKBVQUPDHYJXLV-UHFFFAOYSA-N 0 0 258.321 3.038 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCC(C)(C)CO2)cc1OC ZINC001167261882 807171999 /nfs/dbraw/zinc/17/19/99/807171999.db2.gz OCADZRGNARSYAW-AWEZNQCLSA-N 0 0 293.407 3.345 20 10 CGCDRN COc1ccc(-n2c(C)cc(-c3nnc(C)o3)c2C)cc1 ZINC001257665641 807208528 /nfs/dbraw/zinc/20/85/28/807208528.db2.gz LUDRNOJVKSHYLS-UHFFFAOYSA-N 0 0 283.331 3.461 20 10 CGCDRN Oc1cccc(-c2nnc(CCCc3ccccc3)o2)c1O ZINC001257746484 807219867 /nfs/dbraw/zinc/21/98/67/807219867.db2.gz FUTAGVHFOOXASQ-UHFFFAOYSA-N 0 0 296.326 3.323 20 10 CGCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)CC(C)C ZINC001259883594 807692125 /nfs/dbraw/zinc/69/21/25/807692125.db2.gz JTGRKKGMIGGNGB-UHFFFAOYSA-N 0 0 285.409 3.222 20 10 CGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001261139999 807711733 /nfs/dbraw/zinc/71/17/33/807711733.db2.gz FLZMOQVAQGHNFV-CLAHSXSESA-N 0 0 293.754 3.497 20 10 CGCDRN Oc1ccc(CNc2nc(Cl)cc3cc[nH]c32)cc1O ZINC001169993449 807735497 /nfs/dbraw/zinc/73/54/97/807735497.db2.gz PJEPDPYVKILJDS-UHFFFAOYSA-N 0 0 289.722 3.240 20 10 CGCDRN CCN(CC)c1ccc(CNc2ncc(C)o2)cc1 ZINC001262057721 807815806 /nfs/dbraw/zinc/81/58/06/807815806.db2.gz BZZMBUQPWCNHQB-UHFFFAOYSA-N 0 0 259.353 3.441 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1ncnc2[nH]ccc21 ZINC001171402447 808047002 /nfs/dbraw/zinc/04/70/02/808047002.db2.gz MCHNFVUCBCMUCO-UHFFFAOYSA-N 0 0 290.326 3.429 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1cccc(O)c1 ZINC001171729636 808127321 /nfs/dbraw/zinc/12/73/21/808127321.db2.gz FCQPTYPWDFPSQQ-NEPJUHHUSA-N 0 0 285.343 3.079 20 10 CGCDRN COc1ccc(OC)c(N(C)c2ccc(N)cc2)c1OC ZINC001174055043 808848300 /nfs/dbraw/zinc/84/83/00/808848300.db2.gz AECMPFKJZWDRBY-UHFFFAOYSA-N 0 0 288.347 3.063 20 10 CGCDRN Nc1ccc(Nc2cccc(C(=O)N3CCCC3)c2)cc1 ZINC001174170881 808895609 /nfs/dbraw/zinc/89/56/09/808895609.db2.gz FFBBFOXSSIGVLI-UHFFFAOYSA-N 0 0 281.359 3.248 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cccnc2)c(F)c1 ZINC001275961880 808979338 /nfs/dbraw/zinc/97/93/38/808979338.db2.gz LDSLIBATIRJZBI-SOFGYWHQSA-N 0 0 270.307 3.205 20 10 CGCDRN Oc1cccc(Nc2ccc3ncsc3c2)c1O ZINC001174369487 808980096 /nfs/dbraw/zinc/98/00/96/808980096.db2.gz XKEYDGBSXGRULW-UHFFFAOYSA-N 0 0 258.302 3.451 20 10 CGCDRN Cn1cc(-c2ccc(Nc3ccc(N)cc3)cc2)cn1 ZINC001174380781 808985410 /nfs/dbraw/zinc/98/54/10/808985410.db2.gz YXGUSTHRPKATMV-UHFFFAOYSA-N 0 0 264.332 3.413 20 10 CGCDRN CCOc1ccc(N(C[C@@H](C)OC)CC2CC2)cc1 ZINC001175371180 809382314 /nfs/dbraw/zinc/38/23/14/809382314.db2.gz CGSFLCZQMRXQAX-CYBMUJFWSA-N 0 0 263.381 3.337 20 10 CGCDRN CC(C)CN(C(=O)Cc1ccc(O)c(O)c1)C1CCCC1 ZINC001292214456 809429171 /nfs/dbraw/zinc/42/91/71/809429171.db2.gz OINKKSFEMGNZFV-UHFFFAOYSA-N 0 0 291.391 3.068 20 10 CGCDRN O=C(Nc1cccc(-c2ncc[nH]2)c1)C1=CC(=O)CS1 ZINC001292830077 809437878 /nfs/dbraw/zinc/43/78/78/809437878.db2.gz HQSZXSGINARKOX-UHFFFAOYSA-N 0 0 285.328 3.096 20 10 CGCDRN Cn1ccc2c1cccc2Nc1cccc(O)c1O ZINC001175865460 809560874 /nfs/dbraw/zinc/56/08/74/809560874.db2.gz KVUNTESCNVSEPW-UHFFFAOYSA-N 0 0 254.289 3.333 20 10 CGCDRN CC(C)Oc1cc(Nc2cccc(O)c2O)c(F)cn1 ZINC001176483466 809706334 /nfs/dbraw/zinc/70/63/34/809706334.db2.gz XJAVQJJAEYYYNB-UHFFFAOYSA-N 0 0 278.283 3.163 20 10 CGCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(Cl)cc1 ZINC001176729903 809752877 /nfs/dbraw/zinc/75/28/77/809752877.db2.gz XVSQPFMIAYQPNT-UHFFFAOYSA-N 0 0 296.779 3.020 20 10 CGCDRN CC(C)=CCC[C@@H](C)CC(=O)NCc1cc(O)ccc1O ZINC001176754712 809759221 /nfs/dbraw/zinc/75/92/21/809759221.db2.gz FQDPYUDMRCAVEI-CYBMUJFWSA-N 0 0 291.391 3.487 20 10 CGCDRN Cc1ccc(Nc2cccc(O)c2O)cc1[N+](=O)[O-] ZINC001213667238 815321477 /nfs/dbraw/zinc/32/14/77/815321477.db2.gz LEMAXUYRINXUKJ-UHFFFAOYSA-N 0 0 260.249 3.058 20 10 CGCDRN COc1cccc(NCc2c(O)cccc2Cl)n1 ZINC001179135332 809906712 /nfs/dbraw/zinc/90/67/12/809906712.db2.gz NIDHXSAEEPIQOA-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN COc1ccc(F)c(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC001179216975 809909963 /nfs/dbraw/zinc/90/99/63/809909963.db2.gz UNUJWFAXAHHITL-UHFFFAOYSA-N 0 0 295.741 3.483 20 10 CGCDRN CN(C)c1cc(F)c(CNc2cc(F)ccn2)cc1F ZINC001179554794 809928398 /nfs/dbraw/zinc/92/83/98/809928398.db2.gz LGIHWIMFYHRZGG-UHFFFAOYSA-N 0 0 281.281 3.177 20 10 CGCDRN Cc1cc(C)c(CNC(=O)[C@H](C)CC(F)(F)F)c(O)c1 ZINC001179870708 809953537 /nfs/dbraw/zinc/95/35/37/809953537.db2.gz VDOVHYGQNKHFBA-SNVBAGLBSA-N 0 0 289.297 3.214 20 10 CGCDRN COc1cc(C)c(C[N@H+](C)[C@@H](C)CCSC)c(O)c1 ZINC001180019030 809967558 /nfs/dbraw/zinc/96/75/58/809967558.db2.gz TUSUDCJFZYQSSX-LBPRGKRZSA-N 0 0 283.437 3.283 20 10 CGCDRN C=C(F)C(=O)n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001180110995 809973995 /nfs/dbraw/zinc/97/39/95/809973995.db2.gz HTYWOJVBXZFRMD-QGTCEQILSA-N 0 0 285.282 3.089 20 10 CGCDRN Cc1ccc(NC(=O)/C=C/c2ccc(N(C)C)cc2)cc1O ZINC001180128573 809977397 /nfs/dbraw/zinc/97/73/97/809977397.db2.gz POVKRCLPVDNPAM-YRNVUSSQSA-N 0 0 296.370 3.419 20 10 CGCDRN C[C@@H]1N(Cc2cc(F)c(N(C)C)cc2F)CCOC1(C)C ZINC001180202859 809983003 /nfs/dbraw/zinc/98/30/03/809983003.db2.gz CFEMZZHRMLQYNY-NSHDSACASA-N 0 0 298.377 3.030 20 10 CGCDRN CCC1(CC)C[C@@H]1C(=O)NCc1c(C)cc(C)cc1O ZINC001181889384 810080936 /nfs/dbraw/zinc/08/09/36/810080936.db2.gz SSJOPEUQPSKZMV-CQSZACIVSA-N 0 0 275.392 3.452 20 10 CGCDRN COc1cncc(NCc2cccc(Cl)c2O)c1 ZINC001183248643 810141992 /nfs/dbraw/zinc/14/19/92/810141992.db2.gz QCRQBJCJIIPEMJ-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CCC(C)(C)C2)c(O)c1 ZINC001185174578 810241540 /nfs/dbraw/zinc/24/15/40/810241540.db2.gz LPQDLGAPJNZXIN-CYBMUJFWSA-N 0 0 275.392 3.452 20 10 CGCDRN O=C(CSc1ncc(Cl)s1)c1ccoc1 ZINC001189833447 810592528 /nfs/dbraw/zinc/59/25/28/810592528.db2.gz WKQNUKJWXJQCAA-UHFFFAOYSA-N 0 0 259.739 3.365 20 10 CGCDRN Cc1cccc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001191013072 810663388 /nfs/dbraw/zinc/66/33/88/810663388.db2.gz LCJSILBOKUIMFF-ZDUSSCGKSA-N 0 0 284.359 3.261 20 10 CGCDRN CC(C)(C)c1ccc(C(=O)NCc2ccccc2O)c(O)c1 ZINC001192336453 810787084 /nfs/dbraw/zinc/78/70/84/810787084.db2.gz XAKCQTGGTVAYBJ-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193237055 810866292 /nfs/dbraw/zinc/86/62/92/810866292.db2.gz VROKJVHXXDDKCU-BDAKNGLRSA-N 0 0 285.771 3.306 20 10 CGCDRN CN(C)c1ccc(CNC(=O)OCC(C)(C)C)cc1 ZINC001194410177 811071271 /nfs/dbraw/zinc/07/12/71/811071271.db2.gz UYFJKOJDSCQXMH-UHFFFAOYSA-N 0 0 264.369 3.025 20 10 CGCDRN CCC(CC)COC(=O)N(C)Cc1ccccc1O ZINC001194702277 811110632 /nfs/dbraw/zinc/11/06/32/811110632.db2.gz CFVGPNXVMHZWIM-UHFFFAOYSA-N 0 0 265.353 3.397 20 10 CGCDRN O=C(Oc1ccc(F)cc1)N1CCc2cccc(O)c2C1 ZINC001195030621 811187122 /nfs/dbraw/zinc/18/71/22/811187122.db2.gz BKIYGNGGKRIXMF-UHFFFAOYSA-N 0 0 287.290 3.088 20 10 CGCDRN 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/nfs/dbraw/zinc/25/05/25/937250525.db2.gz YPGPRDGOSJMYOM-GXDHUFHOSA-N 0 0 281.359 3.160 20 10 CGCDRN Cc1cc(C(=O)N2CC=CC2)c(C)n1-c1ccc(F)cc1 ZINC001450905206 937387562 /nfs/dbraw/zinc/38/75/62/937387562.db2.gz WCCGWQRYFXOEGP-UHFFFAOYSA-N 0 0 284.334 3.245 20 10 CGCDRN CC[C@H]1CC[C@H](C(=O)NCc2c(O)cccc2F)CC1 ZINC001456029180 937424694 /nfs/dbraw/zinc/42/46/94/937424694.db2.gz KJWZPYAOMISOCS-HAQNSBGRSA-N 0 0 279.355 3.364 20 10 CGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCC[C@@H](C)C1 ZINC001457868746 937447098 /nfs/dbraw/zinc/44/70/98/937447098.db2.gz UWQMEBOZWMPESF-OUAUKWLOSA-N 0 0 295.354 3.182 20 10 CGCDRN CSc1nc(NCc2ccccc2O)cc(C(F)F)n1 ZINC001458139995 937452660 /nfs/dbraw/zinc/45/26/60/937452660.db2.gz AGUDCSYCAJYHFR-UHFFFAOYSA-N 0 0 297.330 3.454 20 10 CGCDRN Oc1c(CNc2cc(C3CC3)ncn2)ccc2cccnc21 ZINC001458450323 937463292 /nfs/dbraw/zinc/46/32/92/937463292.db2.gz SYOWQBRJYVJYDG-UHFFFAOYSA-N 0 0 292.342 3.220 20 10 CGCDRN COc1cc(N(C)CC2CC(C)C2)cc(OC)c1OC ZINC001459487231 937489710 /nfs/dbraw/zinc/48/97/10/937489710.db2.gz JYLFCDRSFHWDOW-UHFFFAOYSA-N 0 0 279.380 3.195 20 10 CGCDRN C[C@H]1OCC[C@H]1CN1CCCc2cc(OC(F)F)ccc21 ZINC001459678243 937496172 /nfs/dbraw/zinc/49/61/72/937496172.db2.gz RYSDHCVXFRYZCX-YPMHNXCESA-N 0 0 297.345 3.466 20 10 CGCDRN COc1nc(Cl)nc(C)c1NCc1cccc(C)c1O ZINC001160769784 931984387 /nfs/dbraw/zinc/98/43/87/931984387.db2.gz VAXKSZGJULEYJV-UHFFFAOYSA-N 0 0 293.754 3.073 20 10 CGCDRN Cc1cccc(CNc2c(F)nc(F)nc2Cl)c1O ZINC001160770493 931984547 /nfs/dbraw/zinc/98/45/47/931984547.db2.gz YAVDCDCPIUCQGM-UHFFFAOYSA-N 0 0 285.681 3.034 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC001461436057 937581187 /nfs/dbraw/zinc/58/11/87/937581187.db2.gz MAJQRPTYJVJQBD-UHFFFAOYSA-N 0 0 288.297 3.442 20 10 CGCDRN Cc1c(O)cc2c(c1OC(C)C)C(=O)c1ccccc1C2=O ZINC001229829300 932490366 /nfs/dbraw/zinc/49/03/66/932490366.db2.gz QPXUJLTVYNTNHZ-UHFFFAOYSA-N 0 0 296.322 3.263 20 10 CGCDRN CCCC1(CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC001230264594 932549811 /nfs/dbraw/zinc/54/98/11/932549811.db2.gz NIOIFEGTHRLKQF-UHFFFAOYSA-N 0 0 296.798 3.425 20 10 CGCDRN C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000827031336 932762047 /nfs/dbraw/zinc/76/20/47/932762047.db2.gz UULGRVABQCTOAY-MEDUHNTESA-N 0 0 271.335 3.349 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCO[C@H]1C ZINC001307592291 932973722 /nfs/dbraw/zinc/97/37/22/932973722.db2.gz YJKIGLHBHBPQHF-ZFWWWQNUSA-N 0 0 275.392 3.263 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC001307905970 933019192 /nfs/dbraw/zinc/01/91/92/933019192.db2.gz SUTOSEFFOFLPCJ-HZPDHXFCSA-N 0 0 261.365 3.089 20 10 CGCDRN CC[C@H](C)[C@H](CN1CCOc2cc(N(C)C)ccc21)OC ZINC001308669871 933153682 /nfs/dbraw/zinc/15/36/82/933153682.db2.gz WUAPZQITBGYXCQ-GUYCJALGSA-N 0 0 292.423 3.013 20 10 CGCDRN Cc1ccc(CNc2cccc(NC(=O)N(C)C)c2)c(O)c1 ZINC001308770029 933173689 /nfs/dbraw/zinc/17/36/89/933173689.db2.gz LQACCEPIHLMPQB-UHFFFAOYSA-N 0 0 299.374 3.406 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1[C@H]1CCCO1 ZINC001308800635 933179745 /nfs/dbraw/zinc/17/97/45/933179745.db2.gz FDYVAQKKISFCOJ-HUUCEWRRSA-N 0 0 297.345 3.060 20 10 CGCDRN C=C/C=C/CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001308920783 933204795 /nfs/dbraw/zinc/20/47/95/933204795.db2.gz CMJLWTYGIKUJNP-ONEGZZNKSA-N 0 0 255.720 3.407 20 10 CGCDRN Cc1sccc1NC(=O)NCc1ccccc1O ZINC001311099915 933268745 /nfs/dbraw/zinc/26/87/45/933268745.db2.gz QTJDGBUVMKOLBT-UHFFFAOYSA-N 0 0 262.334 3.084 20 10 CGCDRN C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c([O-])cccc1F ZINC001474716333 933704907 /nfs/dbraw/zinc/70/49/07/933704907.db2.gz JXCQLFBNHAIEHQ-GXFFZTMASA-N 0 0 251.345 3.446 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC001468510646 937729069 /nfs/dbraw/zinc/72/90/69/937729069.db2.gz VZXIDGWYRIRJBT-VXGBXAGGSA-N 0 0 277.364 3.044 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3[nH]ccc3c2)c1 ZINC001470254891 937749995 /nfs/dbraw/zinc/74/99/95/937749995.db2.gz NAEJSIQMMLWTBN-UHFFFAOYSA-N 0 0 280.327 3.112 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)N1Cc2cccc(O)c2C1 ZINC001470496642 937754064 /nfs/dbraw/zinc/75/40/64/937754064.db2.gz RGIZWSKNBXQUOI-VXGBXAGGSA-N 0 0 288.391 3.242 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2nnc(CN(C)C)o2)cc1 ZINC001322399305 934292994 /nfs/dbraw/zinc/29/29/94/934292994.db2.gz ARIMIGWEIOXBDR-UHFFFAOYSA-N 0 0 296.374 3.206 20 10 CGCDRN CC(C)C[C@@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001323481931 934400703 /nfs/dbraw/zinc/40/07/03/934400703.db2.gz FAXGKQQFMIYANH-MRVPVSSYSA-N 0 0 281.743 3.497 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001324275758 934480369 /nfs/dbraw/zinc/48/03/69/934480369.db2.gz VCKDCUUMSXKPNA-MEBBXXQBSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C/C=C/C1CC1 ZINC001324336323 934488983 /nfs/dbraw/zinc/48/89/83/934488983.db2.gz YEQDXUPOLLDCDP-OWOJBTEDSA-N 0 0 255.720 3.241 20 10 CGCDRN CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324711559 934553888 /nfs/dbraw/zinc/55/38/88/934553888.db2.gz GMAPTSNJZVUUAZ-NVXWUHKLSA-N 0 0 288.435 3.286 20 10 CGCDRN COC(=O)c1cnc(Sc2ncc(Cl)s2)s1 ZINC001472791199 937784297 /nfs/dbraw/zinc/78/42/97/937784297.db2.gz BPUOBDYTDRZPEY-UHFFFAOYSA-N 0 0 292.794 3.191 20 10 CGCDRN CCc1occc1C(=O)Nc1c2nonc2ccc1Cl ZINC001325345124 934905664 /nfs/dbraw/zinc/90/56/64/934905664.db2.gz JSCZKTFFUAXQQS-UHFFFAOYSA-N 0 0 291.694 3.284 20 10 CGCDRN CCC[C@@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001325346943 934906799 /nfs/dbraw/zinc/90/67/99/934906799.db2.gz ZUUSGUHPVSHNSW-SSDOTTSWSA-N 0 0 267.716 3.251 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC001325893544 934937955 /nfs/dbraw/zinc/93/79/55/934937955.db2.gz ZPNPZXBAQIPUAA-SRVKXCTJSA-N 0 0 295.354 3.106 20 10 CGCDRN COc1ccc(C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001332420339 935467734 /nfs/dbraw/zinc/46/77/34/935467734.db2.gz LWXNGSUHKQEQMM-SFHVURJKSA-N 0 0 299.370 3.093 20 10 CGCDRN CCc1cccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001332986207 935502302 /nfs/dbraw/zinc/50/23/02/935502302.db2.gz UAVBRFKDHNRETA-UHFFFAOYSA-N 0 0 298.342 3.379 20 10 CGCDRN O=C(NC/C=C\C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001334515095 936104445 /nfs/dbraw/zinc/10/44/45/936104445.db2.gz RJBXDBCSJJNJOR-UPHRSURJSA-N 0 0 289.356 3.009 20 10 CGCDRN Nc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC001334753328 936112047 /nfs/dbraw/zinc/11/20/47/936112047.db2.gz CSQWNKQSDXUTRJ-DLBZAZTESA-N 0 0 270.351 3.384 20 10 CGCDRN CC(C)C[C@]1(C)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001335737202 936157823 /nfs/dbraw/zinc/15/78/23/936157823.db2.gz MFJARGKINXYXPQ-KRWDZBQOSA-N 0 0 289.423 3.379 20 10 CGCDRN Cc1ccc(Cl)cc1CNC(=O)C1=CC(=O)CS1 ZINC001336008234 936171010 /nfs/dbraw/zinc/17/10/10/936171010.db2.gz CMFREVRHWJQESN-UHFFFAOYSA-N 0 0 281.764 3.346 20 10 CGCDRN COc1cc(CNc2ccc3c(c2)ncn3C)ccc1F ZINC001474050683 937837863 /nfs/dbraw/zinc/83/78/63/937837863.db2.gz RJOFESLSBVCCPA-UHFFFAOYSA-N 0 0 285.322 3.333 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(F)c(F)cc2[O-])CC1(Cl)Cl ZINC001474533462 937865270 /nfs/dbraw/zinc/86/52/70/937865270.db2.gz SVLXKJPJLICBJU-LLVKDONJSA-N 0 0 296.144 3.344 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC001474617373 937870627 /nfs/dbraw/zinc/87/06/27/937870627.db2.gz BDSAWIRSNLHKJH-OAHLLOKOSA-N 0 0 275.298 3.448 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](C2CCCC2)C1 ZINC001522826561 938037857 /nfs/dbraw/zinc/03/78/57/938037857.db2.gz OCPPEWKSXBRVND-GFCCVEGCSA-N 0 0 279.405 3.496 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC12CCC2 ZINC001523553083 938040189 /nfs/dbraw/zinc/04/01/89/938040189.db2.gz FVFGDGFFOAAWMX-QGZVFWFLSA-N 0 0 298.430 3.435 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1C)CC2 ZINC001528502114 938067938 /nfs/dbraw/zinc/06/79/38/938067938.db2.gz OXGOXVIZSBWYNM-FPLPWBNLSA-N 0 0 278.355 3.301 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2c1cccc2C ZINC001535670385 938102435 /nfs/dbraw/zinc/10/24/35/938102435.db2.gz ZOZXQNFVKYGJJF-SDNWHVSQSA-N 0 0 278.355 3.383 20 10 CGCDRN CCOc1ccc(OC(=O)C2=CC(=O)CS2)cc1 ZINC001540439362 938131167 /nfs/dbraw/zinc/13/11/67/938131167.db2.gz SAQWUYASLLHJAJ-UHFFFAOYSA-N 0 0 264.302 3.072 20 10 CGCDRN C[C@@H](Cc1ccsc1)N(C)C(=O)C1=CC(=O)CS1 ZINC001545205007 938149104 /nfs/dbraw/zinc/14/91/04/938149104.db2.gz BWHNBJSHOCXUSF-VIFPVBQESA-N 0 0 281.402 3.218 20 10 CGCDRN O=C(/C=C/c1ccccc1)NCc1cc(Cl)ccc1O ZINC001557386472 938209654 /nfs/dbraw/zinc/20/96/54/938209654.db2.gz IRLLHEWGTOVECM-RMKNXTFCSA-N 0 0 287.746 3.375 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(C(F)F)nc1)c1ccccc1O ZINC001557966685 938212832 /nfs/dbraw/zinc/21/28/32/938212832.db2.gz MWHSGGMHLRVXTB-SECBINFHSA-N 0 0 292.285 3.216 20 10 CGCDRN C[C@H](NC(=O)c1nccc2ccccc21)c1ccccc1O ZINC001557968013 938212915 /nfs/dbraw/zinc/21/29/15/938212915.db2.gz OUCZHOYRDQTVDE-LBPRGKRZSA-N 0 0 292.338 3.431 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1O ZINC001557966658 938212919 /nfs/dbraw/zinc/21/29/19/938212919.db2.gz MFVVFGUOMORSHF-ABAIWWIYSA-N 0 0 273.307 3.280 20 10 CGCDRN O=C(c1cc(F)cc2ccoc21)N1Cc2cccc(O)c2C1 ZINC001558034762 938213153 /nfs/dbraw/zinc/21/31/53/938213153.db2.gz ACYOQXMXOCJYTC-UHFFFAOYSA-N 0 0 297.285 3.434 20 10 CGCDRN c1csc(Sc2nc3cnccc3s2)n1 ZINC001559237625 938223253 /nfs/dbraw/zinc/22/32/53/938223253.db2.gz WWAUOAAYDKGULJ-UHFFFAOYSA-N 0 0 251.361 3.299 20 10 CGCDRN Cc1cnc(CSc2ncc(Cl)s2)nc1 ZINC001559445645 938226690 /nfs/dbraw/zinc/22/66/90/938226690.db2.gz ICJUQHUSWDQDGQ-UHFFFAOYSA-N 0 0 257.771 3.187 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CC1CC=CC1)CCC2 ZINC001559912748 938238715 /nfs/dbraw/zinc/23/87/15/938238715.db2.gz WFBBALRKOPLOMN-UHFFFAOYSA-N 0 0 273.376 3.423 20 10 CGCDRN CCOc1ccc(N(C)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001560122824 938244623 /nfs/dbraw/zinc/24/46/23/938244623.db2.gz IXBKHHUBMNGHGW-SJORKVTESA-N 0 0 275.392 3.479 20 10 CGCDRN CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001560635995 938267255 /nfs/dbraw/zinc/26/72/55/938267255.db2.gz SMTVATZTWDCHKP-STQMWFEESA-N 0 0 299.361 3.306 20 10 CGCDRN CCNc1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC001560745923 938273541 /nfs/dbraw/zinc/27/35/41/938273541.db2.gz GMJAUCFRAGESMR-UHFFFAOYSA-N 0 0 284.359 3.484 20 10 CGCDRN COc1cccc(F)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001561026777 938290200 /nfs/dbraw/zinc/29/02/00/938290200.db2.gz MWZQUYQHKLRCQY-UHFFFAOYSA-N 0 0 297.276 3.108 20 10 CGCDRN COc1cc(OC2CC2)ccc1C(=O)Oc1ccc(N)cc1 ZINC001579171203 962609724 /nfs/dbraw/zinc/60/97/24/962609724.db2.gz QWPXKTBUEHOGBW-UHFFFAOYSA-N 0 0 299.326 3.038 20 10 CGCDRN Cc1cccc(C)c1OC(=O)Cc1ccc(N)cc1 ZINC001579754729 962667328 /nfs/dbraw/zinc/66/73/28/962667328.db2.gz KOERIAGDRRRRQW-UHFFFAOYSA-N 0 0 255.317 3.034 20 10 CGCDRN Cc1cc2c[nH]nc2c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001587445245 963193983 /nfs/dbraw/zinc/19/39/83/963193983.db2.gz XTHQMSLKZNGILJ-LLVKDONJSA-N 0 0 295.342 3.068 20 10 CGCDRN CCC(CC)(C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001595077414 979352911 /nfs/dbraw/zinc/35/29/11/979352911.db2.gz DTANEVVGZFMLIA-ZDUSSCGKSA-N 0 0 292.423 3.294 20 10 CGCDRN CCC[N@H+](CC(=O)[O-])Cc1cc(C)cc(C(C)(C)C)c1O ZINC001595856238 982788463 /nfs/dbraw/zinc/78/84/63/982788463.db2.gz PXKUWUBPEXHXOR-UHFFFAOYSA-N 0 0 293.407 3.295 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])s1)c1ccccc1O ZINC001599901264 984832143 /nfs/dbraw/zinc/83/21/43/984832143.db2.gz FDMQTESQSIPQTF-VIFPVBQESA-N 0 0 277.345 3.003 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC=C(C(=O)[O-])C1)c1ccc2ccccc2c1O ZINC001593220190 994308493 /nfs/dbraw/zinc/30/84/93/994308493.db2.gz RBWSKBSOJDRUFS-FZMZJTMJSA-N 0 0 297.354 3.369 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593224835 994343588 /nfs/dbraw/zinc/34/35/88/994343588.db2.gz RLZTZGMNKUVDJJ-MVWJERBFSA-N 0 0 281.327 3.022 20 10 CGCDRN C[C@H]([NH2+]C1CCCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593225243 994345336 /nfs/dbraw/zinc/34/53/36/994345336.db2.gz UKACFSHJIWHOBM-NSHDSACASA-N 0 0 277.364 3.464 20 10 CGCDRN CS[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187803267 295661011 /nfs/dbraw/zinc/66/10/11/295661011.db2.gz XSOHBHTTZFKSMM-HTQZYQBOSA-N 0 0 261.337 3.073 20 10 CGCDRN Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCSC1 ZINC000288486828 371739137 /nfs/dbraw/zinc/73/91/37/371739137.db2.gz QLFXUNOIRYSXTL-JTQLQIEISA-N 0 0 271.813 3.278 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(F)c([C@H](C)O)c2)c1 ZINC000289183974 371752953 /nfs/dbraw/zinc/75/29/53/371752953.db2.gz AKBJMHNRFGCPEM-JTQLQIEISA-N 0 0 291.322 3.205 20 10 CGCDRN COc1cccc(CNc2nc(C(C)(C)C)ns2)c1O ZINC000159225426 372118029 /nfs/dbraw/zinc/11/80/29/372118029.db2.gz UEOMNTKDWUMFTG-UHFFFAOYSA-N 0 0 293.392 3.162 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000293662376 372443150 /nfs/dbraw/zinc/44/31/50/372443150.db2.gz PPZLPWJALKIICM-GFCCVEGCSA-N 0 0 295.745 3.075 20 10 CGCDRN Cn1cc(NCc2cc(Cl)c(F)cc2O)c(C2CC2)n1 ZINC000293916566 372523349 /nfs/dbraw/zinc/52/33/49/372523349.db2.gz MGNRPHVCARPMHU-UHFFFAOYSA-N 0 0 295.745 3.408 20 10 CGCDRN Cc1nc(C2CC2)ccc1C(=O)N(C)Cc1ccccc1O ZINC000294718654 372667595 /nfs/dbraw/zinc/66/75/95/372667595.db2.gz ATIYHBHKAKHHDY-UHFFFAOYSA-N 0 0 296.370 3.245 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000294743602 372669894 /nfs/dbraw/zinc/66/98/94/372669894.db2.gz QYKLCZMCYWCMBN-GXSJLCMTSA-N 0 0 287.762 3.184 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2O)C[C@H]1C ZINC000294984191 372682451 /nfs/dbraw/zinc/68/24/51/372682451.db2.gz YMPSDGHPNZRHBK-MGPQQGTHSA-N 0 0 275.392 3.423 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000295084363 372692065 /nfs/dbraw/zinc/69/20/65/372692065.db2.gz SJBBVSAGNUUEJD-GOOCMWNKSA-N 0 0 294.826 3.069 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1O ZINC000436846599 372840384 /nfs/dbraw/zinc/84/03/84/372840384.db2.gz CDFJDYKMKDOIKB-UHFFFAOYSA-N 0 0 294.354 3.122 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000296373620 373109047 /nfs/dbraw/zinc/10/90/47/373109047.db2.gz JHSJPRYXHUQILS-SECBINFHSA-N 0 0 280.368 3.190 20 10 CGCDRN CC(C)CC(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000175537493 373481674 /nfs/dbraw/zinc/48/16/74/373481674.db2.gz LSLHXKDVGPJVLO-UHFFFAOYSA-N 0 0 263.381 3.423 20 10 CGCDRN Cc1cc(NCCCSc2nccs2)nc(C)n1 ZINC000301781074 373805695 /nfs/dbraw/zinc/80/56/95/373805695.db2.gz NCZUPVODSBYVEZ-UHFFFAOYSA-N 0 0 280.422 3.144 20 10 CGCDRN CC(C)c1noc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302384702 373859436 /nfs/dbraw/zinc/85/94/36/373859436.db2.gz INSDFMAXFYITBA-NSHDSACASA-N 0 0 274.368 3.432 20 10 CGCDRN Cc1cnc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000302468683 373874177 /nfs/dbraw/zinc/87/41/77/373874177.db2.gz WFRMMYUFEMHSRC-LBPRGKRZSA-N 0 0 256.353 3.024 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(C(F)(F)F)cn2)c1 ZINC000302698834 373932238 /nfs/dbraw/zinc/93/22/38/373932238.db2.gz UFZAIBGQLSMJFH-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN CCCOc1ccc(CNc2cc(C)on2)c(O)c1 ZINC000181465455 374126620 /nfs/dbraw/zinc/12/66/20/374126620.db2.gz XOGNAQDVXWTFQI-UHFFFAOYSA-N 0 0 262.309 3.090 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(CC(C)(C)C)o2)cc1 ZINC000181775987 374168679 /nfs/dbraw/zinc/16/86/79/374168679.db2.gz KISRPTQPGXPNKZ-UHFFFAOYSA-N 0 0 288.395 3.336 20 10 CGCDRN CCCCCC[C@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000182545857 374287652 /nfs/dbraw/zinc/28/76/52/374287652.db2.gz FOSAJELKUPCYCF-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000187729843 375083146 /nfs/dbraw/zinc/08/31/46/375083146.db2.gz AJTMWOVNQUFZNF-PRHODGIISA-N 0 0 299.342 3.116 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)c(F)c1[O-] ZINC000187923370 375117007 /nfs/dbraw/zinc/11/70/07/375117007.db2.gz CVDXBAFYZRLIPA-SKDRFNHKSA-N 0 0 297.301 3.038 20 10 CGCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000189907046 375459056 /nfs/dbraw/zinc/45/90/56/375459056.db2.gz VMNMZJOCUCEPCT-JSGCOSHPSA-N 0 0 297.354 3.116 20 10 CGCDRN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000191201090 375594153 /nfs/dbraw/zinc/59/41/53/375594153.db2.gz HFDMQROSBACTPX-DTWKUNHWSA-N 0 0 295.333 3.124 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C[NH+]1CCCC1 ZINC000191210079 375597078 /nfs/dbraw/zinc/59/70/78/375597078.db2.gz JTACMFIGWFEASH-RYUDHWBXSA-N 0 0 298.377 3.053 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCSCC[C@@H]2C)c1O ZINC000191819368 375666131 /nfs/dbraw/zinc/66/61/31/375666131.db2.gz XEUAGCXZMUABDC-LBPRGKRZSA-N 0 0 281.421 3.118 20 10 CGCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000193138562 375831666 /nfs/dbraw/zinc/83/16/66/375831666.db2.gz KHCBZTPEMAEGAQ-WCQYABFASA-N 0 0 277.364 3.139 20 10 CGCDRN Cc1c(/C=C\C(=O)N(C)c2cc(C)ccc2C)cnn1C ZINC000255311368 377749444 /nfs/dbraw/zinc/74/94/44/377749444.db2.gz KZKUVFLTVGWDDH-HJWRWDBZSA-N 0 0 283.375 3.022 20 10 CGCDRN O=C(NCc1ccccc1O)C1(Cc2ccccc2)CCC1 ZINC000268142614 378049354 /nfs/dbraw/zinc/04/93/54/378049354.db2.gz DPRQDWJBEDUANI-UHFFFAOYSA-N 0 0 295.382 3.421 20 10 CGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cc(C)ccn2)c1 ZINC000273469418 378748735 /nfs/dbraw/zinc/74/87/35/378748735.db2.gz JJLSYOJKSPZAKU-NSHDSACASA-N 0 0 286.331 3.055 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1 ZINC000348632014 379002158 /nfs/dbraw/zinc/00/21/58/379002158.db2.gz BTBUBBQNUTVCLP-UHFFFAOYSA-N 0 0 278.355 3.417 20 10 CGCDRN CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000285903260 380153489 /nfs/dbraw/zinc/15/34/89/380153489.db2.gz BLABSLDUPMXQGA-UONOGXRCSA-N 0 0 293.338 3.289 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000183928748 262251991 /nfs/dbraw/zinc/25/19/91/262251991.db2.gz KTBBWYNTFTYVGO-NSHDSACASA-N 0 0 269.360 3.245 20 10 CGCDRN CC(C)Oc1ccccc1C(=O)N(C)Cc1ccccc1O ZINC000106284286 392299403 /nfs/dbraw/zinc/29/94/03/392299403.db2.gz BBUXCPONNLDRBY-UHFFFAOYSA-N 0 0 299.370 3.452 20 10 CGCDRN CC(C)SCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000287003088 392392157 /nfs/dbraw/zinc/39/21/57/392392157.db2.gz KGBFSVXQKJEPQX-SECBINFHSA-N 0 0 275.364 3.463 20 10 CGCDRN CCCCc1nc(CN(C)c2ccc(OC)c(F)c2)no1 ZINC000121807896 392415836 /nfs/dbraw/zinc/41/58/36/392415836.db2.gz BXZQUXHPSRUREC-UHFFFAOYSA-N 0 0 293.342 3.196 20 10 CGCDRN CN(C)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000124672430 392435187 /nfs/dbraw/zinc/43/51/87/392435187.db2.gz MVTGXNRLHRMQSE-UHFFFAOYSA-N 0 0 282.815 3.010 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)c(O)c1O ZINC000177666908 392664824 /nfs/dbraw/zinc/66/48/24/392664824.db2.gz CSCVYZXHWYDZEL-OAHLLOKOSA-N 0 0 297.354 3.384 20 10 CGCDRN O=C(C[C@@H]1C=CCC1)NCc1c(O)ccc2c1CCCC2 ZINC000174519113 392642390 /nfs/dbraw/zinc/64/23/90/392642390.db2.gz NMOMYLOXXHQRLJ-CYBMUJFWSA-N 0 0 285.387 3.244 20 10 CGCDRN CCOc1cccc(CN2CCn3cccc3[C@H]2C)c1O ZINC000179565882 392701786 /nfs/dbraw/zinc/70/17/86/392701786.db2.gz VIDBPKQWCYVPMB-CYBMUJFWSA-N 0 0 286.375 3.169 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1ccco1 ZINC000348634251 393124672 /nfs/dbraw/zinc/12/46/72/393124672.db2.gz MXDAXKSDUSUAEX-UHFFFAOYSA-N 0 0 296.370 3.329 20 10 CGCDRN Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000281899354 393367581 /nfs/dbraw/zinc/36/75/81/393367581.db2.gz ACCUUVSJCKYVDU-SNVBAGLBSA-N 0 0 273.298 3.446 20 10 CGCDRN COc1ccc(O)c(CNc2ccccc2OC)c1 ZINC000020086921 170987895 /nfs/dbraw/zinc/98/78/95/170987895.db2.gz BTIARSCNQONXIH-UHFFFAOYSA-N 0 0 259.305 3.022 20 10 CGCDRN COc1ccc(O)c(CNc2cc(OC)cc(OC)c2)c1 ZINC000020088499 170989094 /nfs/dbraw/zinc/98/90/94/170989094.db2.gz HFLFEDTZWVDRIN-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000152489844 261064963 /nfs/dbraw/zinc/06/49/63/261064963.db2.gz FXJXBAUBQUBKOD-SJORKVTESA-N 0 0 286.419 3.144 20 10 CGCDRN COC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1ccccc1 ZINC000154499440 261092257 /nfs/dbraw/zinc/09/22/57/261092257.db2.gz RJNYGZDAWMHAPG-QGZVFWFLSA-N 0 0 299.370 3.013 20 10 CGCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000161345719 261244514 /nfs/dbraw/zinc/24/45/14/261244514.db2.gz NBNQFZPFRFPCDV-OAHLLOKOSA-N 0 0 296.414 3.176 20 10 CGCDRN COc1cc(N(C)[C@@H]2C=CCCC2)cc(OC)c1OC ZINC000172895533 261515101 /nfs/dbraw/zinc/51/51/01/261515101.db2.gz GHTPVKBCCKPDCO-GFCCVEGCSA-N 0 0 277.364 3.257 20 10 CGCDRN CC1(C(=O)NCc2ccc(O)c(O)c2)CCCCCC1 ZINC000182265651 261932136 /nfs/dbraw/zinc/93/21/36/261932136.db2.gz ULDLPRUSTWARRV-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN CCCCCC(C)(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000182511042 261941292 /nfs/dbraw/zinc/94/12/92/261941292.db2.gz FPKIWNBYKKAFJF-UHFFFAOYSA-N 0 0 279.380 3.321 20 10 CGCDRN CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184841788 262030265 /nfs/dbraw/zinc/03/02/65/262030265.db2.gz VRNDWBDBBTZNNL-SFYZADRCSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000185327862 262050857 /nfs/dbraw/zinc/05/08/57/262050857.db2.gz ANNFZSGWTDYOSA-ZBEGNZNMSA-N 0 0 281.371 3.123 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000186080952 262078405 /nfs/dbraw/zinc/07/84/05/262078405.db2.gz HREZPEWTGPFATA-LLVKDONJSA-N 0 0 299.411 3.094 20 10 CGCDRN Oc1ccccc1CN1CCSC[C@H]1c1nccs1 ZINC000186640957 262103239 /nfs/dbraw/zinc/10/32/39/262103239.db2.gz YMEJORWVOHJWHQ-LBPRGKRZSA-N 0 0 292.429 3.139 20 10 CGCDRN Cc1cc(C)c(OCC(=O)NCc2ccccc2O)c(C)c1 ZINC000299571562 263248309 /nfs/dbraw/zinc/24/83/09/263248309.db2.gz PKVUEQLLYLJNBK-UHFFFAOYSA-N 0 0 299.370 3.013 20 10 CGCDRN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000279080841 287686110 /nfs/dbraw/zinc/68/61/10/287686110.db2.gz DYTHNSADLUCCPK-AAEUAGOBSA-N 0 0 277.364 3.139 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)ncn1 ZINC000293326379 277434349 /nfs/dbraw/zinc/43/43/49/277434349.db2.gz WNHASARECIQYFF-UHFFFAOYSA-N 0 0 283.375 3.137 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000287811087 288066384 /nfs/dbraw/zinc/06/63/84/288066384.db2.gz UROMVMNKQNTMNC-MJBXVCDLSA-N 0 0 283.799 3.390 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000286215123 280949340 /nfs/dbraw/zinc/94/93/40/280949340.db2.gz SETRQCVQLRCDLV-NHYWBVRUSA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1cccc(CNCc2nnc(C(C)(C)C)s2)c1O ZINC000271864593 328198459 /nfs/dbraw/zinc/19/84/59/328198459.db2.gz VTUVLHCVVYMRFZ-UHFFFAOYSA-N 0 0 291.420 3.139 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC12CC2 ZINC000529511435 328534829 /nfs/dbraw/zinc/53/48/29/328534829.db2.gz IVWLLFDFMUYFNG-LBPRGKRZSA-N 0 0 279.767 3.242 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CC2CC2)cc1F ZINC000108996864 327257399 /nfs/dbraw/zinc/25/73/99/327257399.db2.gz BXXSEDCVDIEWQT-UHFFFAOYSA-N 0 0 278.371 3.088 20 10 CGCDRN C[C@@H]1CN(Cc2ccccc2O)c2ccccc2N(C)C1=O ZINC000377889922 329033671 /nfs/dbraw/zinc/03/36/71/329033671.db2.gz QYFJBWRBQAMMQS-CYBMUJFWSA-N 0 0 296.370 3.011 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]2CCCO[C@@H]21 ZINC000360037581 329070433 /nfs/dbraw/zinc/07/04/33/329070433.db2.gz DPAJKOSZSMUBRB-DFBGVHRSSA-N 0 0 295.810 3.339 20 10 CGCDRN C[C@H](CCC(C)(C)C)NC(=O)Cc1ccc(N)cc1 ZINC000237376182 329694338 /nfs/dbraw/zinc/69/43/38/329694338.db2.gz SKBVBERTOYLPIN-GFCCVEGCSA-N 0 0 262.397 3.142 20 10 CGCDRN CCCOc1cncc(NCc2ccccc2O)c1 ZINC000527782428 330283018 /nfs/dbraw/zinc/28/30/18/330283018.db2.gz XGNDAWHYQOQGKZ-UHFFFAOYSA-N 0 0 258.321 3.188 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1cccc3c1OCC3)CC2 ZINC000527958705 330294931 /nfs/dbraw/zinc/29/49/31/330294931.db2.gz IJIZHEHFAYOAEV-ZDUSSCGKSA-N 0 0 267.328 3.427 20 10 CGCDRN Cc1ncccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000527987938 330299073 /nfs/dbraw/zinc/29/90/73/330299073.db2.gz QFJCQBMXTDUKKD-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN COCCn1c(C)c(C)c2cc(C(=O)OC(C)C)ccc21 ZINC000490698326 332105943 /nfs/dbraw/zinc/10/59/43/332105943.db2.gz UINNALCURNSEIA-UHFFFAOYSA-N 0 0 289.375 3.470 20 10 CGCDRN Cc1cccnc1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000491997769 332378601 /nfs/dbraw/zinc/37/86/01/332378601.db2.gz GQGBKSZXDHJASG-SOFGYWHQSA-N 0 0 287.750 3.115 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1c(F)cccc1F ZINC000492412748 332396372 /nfs/dbraw/zinc/39/63/72/332396372.db2.gz GDYAOHXPTYBGBB-VOTSOKGWSA-N 0 0 288.297 3.344 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](C)c1ccc(C)cc1O ZINC000230671480 333320572 /nfs/dbraw/zinc/32/05/72/333320572.db2.gz QMTNLOJRDFKPDN-NSHDSACASA-N 0 0 259.353 3.170 20 10 CGCDRN O=C(NCc1ccccc1O)C1CCc2ccccc2CC1 ZINC000528852412 333461749 /nfs/dbraw/zinc/46/17/49/333461749.db2.gz ALLFBBYSCMBCLD-UHFFFAOYSA-N 0 0 295.382 3.204 20 10 CGCDRN 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Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744150 620347260 /nfs/dbraw/zinc/34/72/60/620347260.db2.gz FLKFAHJVHKZBPR-NSHDSACASA-N 0 0 293.798 3.361 20 10 CGCDRN Oc1c(C[NH2+]CC2(C3(O)CCC3)CC2)ccc2ccccc21 ZINC000897527442 620371047 /nfs/dbraw/zinc/37/10/47/620371047.db2.gz MPWHNSKAIALLKZ-UHFFFAOYSA-N 0 0 297.398 3.330 20 10 CGCDRN COC(C)(C)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000865755409 620408717 /nfs/dbraw/zinc/40/87/17/620408717.db2.gz VMGWFMBXMHXPPI-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccnn1C1CCC1 ZINC000898216534 620488641 /nfs/dbraw/zinc/48/86/41/620488641.db2.gz YEGKBXJDRSHXIR-UHFFFAOYSA-N 0 0 291.782 3.257 20 10 CGCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000113220736 620529555 /nfs/dbraw/zinc/52/95/55/620529555.db2.gz WDMOIXITRXYXPP-OANVXVOSSA-N 0 0 284.311 3.415 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C\Cl ZINC000899057457 620618762 /nfs/dbraw/zinc/61/87/62/620618762.db2.gz NUFHRSXAIRSGDX-YHYXMXQVSA-N 0 0 295.814 3.037 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnns2)cc1 ZINC000191296365 620879049 /nfs/dbraw/zinc/87/90/49/620879049.db2.gz DCBUBHCKTREHHJ-UHFFFAOYSA-N 0 0 298.371 3.198 20 10 CGCDRN c1csc(SCCOC2CCSCC2)n1 ZINC000901478256 620891934 /nfs/dbraw/zinc/89/19/34/620891934.db2.gz UCBVSZHUEDGRFW-UHFFFAOYSA-N 0 0 261.437 3.147 20 10 CGCDRN Cn1c2ccc(OCc3nncs3)cc2c2c1CCCC2 ZINC000902459861 621336191 /nfs/dbraw/zinc/33/61/91/621336191.db2.gz QEZNLGLMSYXPBX-UHFFFAOYSA-N 0 0 299.399 3.488 20 10 CGCDRN Nc1ccc(NC(=O)NCC[C@H]2CCC(F)(F)C2)cc1 ZINC000904500709 621927147 /nfs/dbraw/zinc/92/71/47/621927147.db2.gz OWKFYKLHSRUSMU-SNVBAGLBSA-N 0 0 283.322 3.216 20 10 CGCDRN Cc1nc(C)c(/C=C2/c3cccc4c3N(CCC4)C2=O)o1 ZINC000905083532 622033221 /nfs/dbraw/zinc/03/32/21/622033221.db2.gz FADSVGNYEWXOHQ-ZROIWOOFSA-N 0 0 280.327 3.125 20 10 CGCDRN CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769008077 625555014 /nfs/dbraw/zinc/55/50/14/625555014.db2.gz NIGDDLQBCPTHNY-NSHDSACASA-N 0 0 284.743 3.328 20 10 CGCDRN CC(C)CC(CC(C)C)C(=O)NCc1ccc(O)cc1O ZINC000910944130 622511920 /nfs/dbraw/zinc/51/19/20/622511920.db2.gz KWKVOPCEYHAVKU-UHFFFAOYSA-N 0 0 293.407 3.422 20 10 CGCDRN Cc1ccc(C(=O)N2CC=CC23CCCCC3)c(O)c1O ZINC000912477395 622664675 /nfs/dbraw/zinc/66/46/75/622664675.db2.gz GNBFTARXAGYNMS-UHFFFAOYSA-N 0 0 287.359 3.121 20 10 CGCDRN CC(=O)Nc1cccc(NCc2cc(F)ccc2O)c1 ZINC000226580534 622982974 /nfs/dbraw/zinc/98/29/74/622982974.db2.gz LRQXJQIIUYFSIC-UHFFFAOYSA-N 0 0 274.295 3.102 20 10 CGCDRN Cc1cccc(CNc2ccccc2-n2cccn2)c1O ZINC000158050065 622995983 /nfs/dbraw/zinc/99/59/83/622995983.db2.gz QLKDVWIBNFMKIN-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000168789645 623014353 /nfs/dbraw/zinc/01/43/53/623014353.db2.gz SPIOHBWXOBUOIO-RYUDHWBXSA-N 0 0 253.411 3.493 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000172176577 623231105 /nfs/dbraw/zinc/23/11/05/623231105.db2.gz MHTVTSOWUACYOU-ZDUSSCGKSA-N 0 0 289.423 3.131 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2cscn2)cc1C ZINC000063127376 623303033 /nfs/dbraw/zinc/30/30/33/623303033.db2.gz HVBPIHCQNHPBOV-UHFFFAOYSA-N 0 0 262.378 3.098 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000173131871 623309296 /nfs/dbraw/zinc/30/92/96/623309296.db2.gz VWIAGWSWBXURNS-AVGNSLFASA-N 0 0 291.391 3.404 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(C#N)c2)cc1OC ZINC000063616772 623341931 /nfs/dbraw/zinc/34/19/31/623341931.db2.gz CWGXOVJXOAIOJY-UHFFFAOYSA-N 0 0 282.343 3.212 20 10 CGCDRN Oc1cccc(Cl)c1CNc1ccc2c(c1)OCCO2 ZINC000083552058 625645983 /nfs/dbraw/zinc/64/59/83/625645983.db2.gz CNQBAOLAVJYZFA-UHFFFAOYSA-N 0 0 291.734 3.429 20 10 CGCDRN C[C@H](NC(=O)C1(C2CC2)CCC1)c1ccccc1O ZINC000913763719 623576283 /nfs/dbraw/zinc/57/62/83/623576283.db2.gz PDOSVRISRNYUBR-NSHDSACASA-N 0 0 259.349 3.150 20 10 CGCDRN Nc1ccc(CCNC(=O)/C=C/C2CCCCC2)cc1 ZINC000152502194 623680970 /nfs/dbraw/zinc/68/09/70/623680970.db2.gz MJPYERFNXMNQGF-DHZHZOJOSA-N 0 0 272.392 3.064 20 10 CGCDRN CCOCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000152590629 623694162 /nfs/dbraw/zinc/69/41/62/623694162.db2.gz ZYJMKFYIWAMCOD-UHFFFAOYSA-N 0 0 293.338 3.470 20 10 CGCDRN CCC(CC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914846751 623866610 /nfs/dbraw/zinc/86/66/10/623866610.db2.gz YRJWIXPLUJWDKI-UHFFFAOYSA-N 0 0 285.391 3.408 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCC2CCC2)c1 ZINC000175263117 624624980 /nfs/dbraw/zinc/62/49/80/624624980.db2.gz YQJLKXORYUQPJZ-LLVKDONJSA-N 0 0 277.364 3.158 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2)cc1 ZINC000070270704 624992246 /nfs/dbraw/zinc/99/22/46/624992246.db2.gz JYWKBUMAQSDWLK-UHFFFAOYSA-N 0 0 268.360 3.025 20 10 CGCDRN Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ccn1 ZINC000922154282 625974058 /nfs/dbraw/zinc/97/40/58/625974058.db2.gz MPZDJOQDMWEPNY-UHFFFAOYSA-N 0 0 268.360 3.005 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(F)cc1 ZINC000124665000 634478567 /nfs/dbraw/zinc/47/85/67/634478567.db2.gz VYQAFJJMCYEORJ-UHFFFAOYSA-N 0 0 265.715 3.475 20 10 CGCDRN C[C@H](O)CCCSc1ncc(-c2ccccc2)n1C ZINC000756656714 626162303 /nfs/dbraw/zinc/16/23/03/626162303.db2.gz AHZKSPHNJFRJFG-LBPRGKRZSA-N 0 0 276.405 3.340 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CC=CCC2)cc1 ZINC000929402742 626164926 /nfs/dbraw/zinc/16/49/26/626164926.db2.gz DKXBRNMGNVUXCP-CQSZACIVSA-N 0 0 272.392 3.115 20 10 CGCDRN CC(C)=C(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000873829376 634483698 /nfs/dbraw/zinc/48/36/98/634483698.db2.gz QCNBIMFKKRYYOE-UHFFFAOYSA-N 0 0 260.381 3.115 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CSCCS1)c1c([O-])cccc1F ZINC000886536857 626362188 /nfs/dbraw/zinc/36/21/88/626362188.db2.gz POPFCRXGXMUQKZ-ZJUUUORDSA-N 0 0 287.425 3.031 20 10 CGCDRN CC[C@H]([NH2+]CC1(O)CCCC1)c1cccc(Cl)c1[O-] ZINC000806139794 626367691 /nfs/dbraw/zinc/36/76/91/626367691.db2.gz SBUGHZKPKUBUOM-ZDUSSCGKSA-N 0 0 283.799 3.391 20 10 CGCDRN CCSCC[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000751396165 626388635 /nfs/dbraw/zinc/38/86/35/626388635.db2.gz PZRKGTJZGLCTOX-VIFPVBQESA-N 0 0 273.423 3.057 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)c(O)c1O ZINC000751529988 626394687 /nfs/dbraw/zinc/39/46/87/626394687.db2.gz JUBGRZPPEOYJQX-ZDUSSCGKSA-N 0 0 299.370 3.157 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c(O)c1O ZINC000751538256 626395232 /nfs/dbraw/zinc/39/52/32/626395232.db2.gz NNHMEKJAZKXNMT-NHYWBVRUSA-N 0 0 297.354 3.070 20 10 CGCDRN Cn1cc(/C=C/C(=O)N(CC2CCC2)c2ccccc2)cn1 ZINC000752479363 626429096 /nfs/dbraw/zinc/42/90/96/626429096.db2.gz KWFFMEVOZDIZRX-ZHACJKMWSA-N 0 0 295.386 3.267 20 10 CGCDRN O=C(NC1(c2ccc(F)cc2)CC1)C1=CC(=O)CS1 ZINC000752816330 626440295 /nfs/dbraw/zinc/44/02/95/626440295.db2.gz ILQMQOFFBSJCRP-UHFFFAOYSA-N 0 0 277.320 3.012 20 10 CGCDRN CC(C)(C)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000753222336 626448127 /nfs/dbraw/zinc/44/81/27/626448127.db2.gz QRSFKYGVKKYMLK-IYNGYCSASA-N 0 0 289.375 3.006 20 10 CGCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000753822568 626467158 /nfs/dbraw/zinc/46/71/58/626467158.db2.gz SNBRTTCGZSGIKH-UHFFFAOYSA-N 0 0 267.394 3.400 20 10 CGCDRN CN(C)c1ccc(CNc2ncnc3c2CCCCC3)cc1 ZINC000754616651 626579557 /nfs/dbraw/zinc/57/95/57/626579557.db2.gz IDDDSEFPVMBLMT-UHFFFAOYSA-N 0 0 296.418 3.424 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000124802668 634513605 /nfs/dbraw/zinc/51/36/05/634513605.db2.gz KNCQTLDOCOFIJN-ZDUSSCGKSA-N 0 0 273.763 3.475 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000756409052 626702820 /nfs/dbraw/zinc/70/28/20/626702820.db2.gz XBGMXZAFESHKHO-LLVKDONJSA-N 0 0 290.319 3.095 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CCCC2)c1 ZINC000756455719 626706726 /nfs/dbraw/zinc/70/67/26/626706726.db2.gz AYLYWLLHAVMMOK-LLVKDONJSA-N 0 0 277.364 3.020 20 10 CGCDRN CSCC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756586952 626718581 /nfs/dbraw/zinc/71/85/81/626718581.db2.gz XHXLWBNXQDBADX-NXEZZACHSA-N 0 0 284.381 3.093 20 10 CGCDRN CSc1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])ccn1 ZINC000756665967 626725953 /nfs/dbraw/zinc/72/59/53/626725953.db2.gz XQDORGSSMNNAJH-SNVBAGLBSA-N 0 0 292.379 3.499 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000756711172 626726446 /nfs/dbraw/zinc/72/64/46/626726446.db2.gz JFVYUPGAKWJBBI-RKDXNWHRSA-N 0 0 255.308 3.367 20 10 CGCDRN CCC[C@@H](CC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756681174 626726678 /nfs/dbraw/zinc/72/66/78/626726678.db2.gz HSXXRAIITAKFLY-WCQYABFASA-N 0 0 279.380 3.408 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(F)cc(F)c1[O-] ZINC000756757910 626729824 /nfs/dbraw/zinc/72/98/24/626729824.db2.gz DQYSFCRZYKIOGM-OQPBUACISA-N 0 0 293.317 3.122 20 10 CGCDRN CC(C)C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756770354 626730645 /nfs/dbraw/zinc/73/06/45/626730645.db2.gz UHLBCOPUMIJJDW-GHMZBOCLSA-N 0 0 266.341 3.386 20 10 CGCDRN CC(C)C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756770356 626730675 /nfs/dbraw/zinc/73/06/75/626730675.db2.gz UHLBCOPUMIJJDW-QWRGUYRKSA-N 0 0 266.341 3.386 20 10 CGCDRN C[C@@H](Nc1ccc(CCO)cc1)c1cc(F)cc(F)c1O ZINC000756851280 626738089 /nfs/dbraw/zinc/73/80/89/626738089.db2.gz SBYWDNKKKOPESV-SNVBAGLBSA-N 0 0 293.313 3.378 20 10 CGCDRN Cc1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)ncn1 ZINC000756991524 626745247 /nfs/dbraw/zinc/74/52/47/626745247.db2.gz UTZMGADXHQPASE-UHFFFAOYSA-N 0 0 296.418 3.065 20 10 CGCDRN CCCOC(=O)[C@H](C)N(C)c1ccc(OC)c(Cl)c1 ZINC000757857917 626810597 /nfs/dbraw/zinc/81/05/97/626810597.db2.gz STJIMAOEBFDBTM-JTQLQIEISA-N 0 0 285.771 3.127 20 10 CGCDRN C[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757891116 626812709 /nfs/dbraw/zinc/81/27/09/626812709.db2.gz VSOAZRQKQLGAJN-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN CC[C@@H]([NH2+]CC(C)(C)CCO)c1cccc(Cl)c1[O-] ZINC000806141780 626820286 /nfs/dbraw/zinc/82/02/86/626820286.db2.gz LZQLSGAZTZFCOW-CYBMUJFWSA-N 0 0 285.815 3.495 20 10 CGCDRN CCC[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000759537572 626904572 /nfs/dbraw/zinc/90/45/72/626904572.db2.gz APXZUMUWFSXQSZ-JTQLQIEISA-N 0 0 287.454 3.113 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCOCC2CC2)cc1 ZINC000759916485 626931083 /nfs/dbraw/zinc/93/10/83/626931083.db2.gz VVSBGSNIWJNWBV-UHFFFAOYSA-N 0 0 263.381 3.337 20 10 CGCDRN CCCC1(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000760544157 626977864 /nfs/dbraw/zinc/97/78/64/626977864.db2.gz DCNGAWDECQTDSC-UHFFFAOYSA-N 0 0 274.408 3.258 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1cccc(Cl)c1[O-] ZINC000806142490 627006597 /nfs/dbraw/zinc/00/65/97/627006597.db2.gz OYMBKPRHMJBPMK-ZIAGYGMSSA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1CCC[C@@H](C)C1 ZINC000839793950 627084598 /nfs/dbraw/zinc/08/45/98/627084598.db2.gz USAPGEPXDTUEGN-VWYCJHECSA-N 0 0 267.394 3.398 20 10 CGCDRN CN(C)c1ccc(CNC(=O)Nc2ccsc2)cc1F ZINC000762953666 627133200 /nfs/dbraw/zinc/13/32/00/627133200.db2.gz QPHCLFBFMBDLMP-UHFFFAOYSA-N 0 0 293.367 3.275 20 10 CGCDRN CCOC(=O)[C@H](C)NCc1cc(-c2ccccc2)ccc1O ZINC000763285457 627148745 /nfs/dbraw/zinc/14/87/45/627148745.db2.gz OQCSNEHHYGJNFV-ZDUSSCGKSA-N 0 0 299.370 3.100 20 10 CGCDRN COc1ccc(N(C)C/C(Cl)=C\Cl)cc1OC ZINC000763503741 627161229 /nfs/dbraw/zinc/16/12/29/627161229.db2.gz VYCRBEFKKZZSFP-VQHVLOKHSA-N 0 0 276.163 3.459 20 10 CGCDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)C1CCC1 ZINC000839797162 627197429 /nfs/dbraw/zinc/19/74/29/627197429.db2.gz GLKUTTBBPJWAQA-NSHDSACASA-N 0 0 253.367 3.152 20 10 CGCDRN CCOc1ccc(N(CC)CC(OCC)OCC)cc1 ZINC000767797307 627437739 /nfs/dbraw/zinc/43/77/39/627437739.db2.gz RYGZLWCSSPBQJF-UHFFFAOYSA-N 0 0 281.396 3.311 20 10 CGCDRN CC(C)(F)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000768344968 627474617 /nfs/dbraw/zinc/47/46/17/627474617.db2.gz ANCWTAHOSZAVGJ-UHFFFAOYSA-N 0 0 278.371 3.041 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000769017406 627517208 /nfs/dbraw/zinc/51/72/08/627517208.db2.gz MTHOCMRSTPVEOI-ZDUSSCGKSA-N 0 0 276.380 3.112 20 10 CGCDRN CCOc1ccc(CN(CC(F)F)C2CC2)c(O)c1 ZINC000769381933 627547298 /nfs/dbraw/zinc/54/72/98/627547298.db2.gz SLLPZLHLORPVKN-UHFFFAOYSA-N 0 0 271.307 3.020 20 10 CGCDRN C[C@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769470019 627556239 /nfs/dbraw/zinc/55/62/39/627556239.db2.gz JEESKHLFGZHVEB-IUCAKERBSA-N 0 0 284.743 3.184 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000769466988 627556528 /nfs/dbraw/zinc/55/65/28/627556528.db2.gz SAVSERBFBGMANN-UHFFFAOYSA-N 0 0 284.743 3.328 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cnn(C)c2C2CC2)c1 ZINC000769978977 627594409 /nfs/dbraw/zinc/59/44/09/627594409.db2.gz DLEFDMUQBDECMV-NSHDSACASA-N 0 0 271.364 3.485 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000769990663 627596026 /nfs/dbraw/zinc/59/60/26/627596026.db2.gz VVJYNLWLVMLXEA-ISVAXAHUSA-N 0 0 299.342 3.116 20 10 CGCDRN CO[C@H](C)COC(=O)c1sccc1-n1c(C)ccc1C ZINC000770678300 627636897 /nfs/dbraw/zinc/63/68/97/627636897.db2.gz XSAFEPUOTHNUNL-GFCCVEGCSA-N 0 0 293.388 3.347 20 10 CGCDRN C[C@H](CC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000771848063 627735697 /nfs/dbraw/zinc/73/56/97/627735697.db2.gz WQLJKGPEKJVGKM-CYBMUJFWSA-N 0 0 276.424 3.441 20 10 CGCDRN Oc1ccccc1CNc1cncc(OCC2CCCC2)n1 ZINC000772022747 627756172 /nfs/dbraw/zinc/75/61/72/627756172.db2.gz WAJBTZQLEWIOAD-UHFFFAOYSA-N 0 0 299.374 3.363 20 10 CGCDRN CCOc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)cc1 ZINC000772149630 627768355 /nfs/dbraw/zinc/76/83/55/627768355.db2.gz FDYKXIKQSWBSAX-YHYXMXQVSA-N 0 0 296.370 3.465 20 10 CGCDRN COc1cccc(C)c1NC(=O)NCc1ccccc1O ZINC000772482268 627794194 /nfs/dbraw/zinc/79/41/94/627794194.db2.gz QHKGUNWAZYLBMG-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN C[C@@H](NC(=O)C[C@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773014995 627842420 /nfs/dbraw/zinc/84/24/20/627842420.db2.gz MOTNKAUZMDYXTN-QWHCGFSZSA-N 0 0 274.408 3.366 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CC12CCC2)c1ccc(N(C)C)cc1 ZINC000773015461 627842767 /nfs/dbraw/zinc/84/27/67/627842767.db2.gz OQGRTHLBPNFHJO-IUODEOHRSA-N 0 0 272.392 3.120 20 10 CGCDRN CS[C@H](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773026464 627843627 /nfs/dbraw/zinc/84/36/27/627843627.db2.gz ROHJYWGKCWLZNP-NEPJUHHUSA-N 0 0 280.437 3.071 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773110404 627857621 /nfs/dbraw/zinc/85/76/21/627857621.db2.gz CUDOOQKXWKNQIN-CQSZACIVSA-N 0 0 297.402 3.313 20 10 CGCDRN C[C@H](Nc1ncnc2ncccc21)c1ccc(N(C)C)cc1 ZINC000773898803 627926756 /nfs/dbraw/zinc/92/67/56/627926756.db2.gz GBONBTYKTUSTTP-LBPRGKRZSA-N 0 0 293.374 3.264 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCC=CO1 ZINC000775056774 628058454 /nfs/dbraw/zinc/05/84/54/628058454.db2.gz MDPJWSTURVCTFW-OAHLLOKOSA-N 0 0 259.349 3.141 20 10 CGCDRN C[C@@H](NC(=O)OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000775434291 628094946 /nfs/dbraw/zinc/09/49/46/628094946.db2.gz JGJGVKBEEKNFMO-SECBINFHSA-N 0 0 290.285 3.102 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)ccc1O ZINC000775493510 628100389 /nfs/dbraw/zinc/10/03/89/628100389.db2.gz UNBOBMMURKASSV-GXTWGEPZSA-N 0 0 282.815 3.181 20 10 CGCDRN Cc1noc(C)c1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775653765 628120337 /nfs/dbraw/zinc/12/03/37/628120337.db2.gz BFFRWRPFEILRLX-UHFFFAOYSA-N 0 0 298.745 3.422 20 10 CGCDRN CN(C)c1ccc(CN(C)c2sccc2[N+](=O)[O-])cc1 ZINC000775665785 628122997 /nfs/dbraw/zinc/12/29/97/628122997.db2.gz ZDZALQRDWYDJBI-UHFFFAOYSA-N 0 0 291.376 3.359 20 10 CGCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775716368 628128504 /nfs/dbraw/zinc/12/85/04/628128504.db2.gz VGYWPIXSBQIRRC-DTWKUNHWSA-N 0 0 257.736 3.415 20 10 CGCDRN COc1cccc(CN2CCc3cc(F)c(F)cc32)c1O ZINC000775968826 628154135 /nfs/dbraw/zinc/15/41/35/628154135.db2.gz MXLXPZMLMRYNHQ-UHFFFAOYSA-N 0 0 291.297 3.242 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cscc2Cl)c1 ZINC000776151105 628170883 /nfs/dbraw/zinc/17/08/83/628170883.db2.gz FIPDSYGJCIKQQM-UHFFFAOYSA-N 0 0 298.751 3.305 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776220313 628182192 /nfs/dbraw/zinc/18/21/92/628182192.db2.gz UQCSIKNIBHFOMV-VIFPVBQESA-N 0 0 289.778 3.478 20 10 CGCDRN CN(C)c1ccc(NCc2cccc(Cl)c2O)nc1 ZINC000776251476 628184332 /nfs/dbraw/zinc/18/43/32/628184332.db2.gz ZZBPETAVJIXLGU-UHFFFAOYSA-N 0 0 277.755 3.119 20 10 CGCDRN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)C1=CC(=O)CS1 ZINC000776266944 628187157 /nfs/dbraw/zinc/18/71/57/628187157.db2.gz YBLVWZGZWJSQLJ-IONNQARKSA-N 0 0 293.310 3.257 20 10 CGCDRN O=C(OCc1ccc(Cl)cc1)c1cccc(O)c1O ZINC000776281589 628188684 /nfs/dbraw/zinc/18/86/84/628188684.db2.gz IHRVNQFWQUPKJL-UHFFFAOYSA-N 0 0 278.691 3.108 20 10 CGCDRN C[C@H]1CC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000776478058 628212712 /nfs/dbraw/zinc/21/27/12/628212712.db2.gz AVESWLNHYKHFLL-GXTWGEPZSA-N 0 0 287.403 3.323 20 10 CGCDRN CCOc1ccc(CNc2nnc(C3CC3)s2)c(O)c1 ZINC000777507857 628276567 /nfs/dbraw/zinc/27/65/67/628276567.db2.gz UXGXWESYLYSUOV-UHFFFAOYSA-N 0 0 291.376 3.132 20 10 CGCDRN CCOc1ccc(CNc2ccc(Cl)cn2)c(O)c1 ZINC000777506588 628276747 /nfs/dbraw/zinc/27/67/47/628276747.db2.gz IEMORSOFYKJOGE-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc(Cl)cn1 ZINC000778224918 628335499 /nfs/dbraw/zinc/33/54/99/628335499.db2.gz IRPDBTXTVXNJLR-UHFFFAOYSA-N 0 0 274.751 3.306 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1cccc(F)c1O)N2 ZINC000778526430 628354670 /nfs/dbraw/zinc/35/46/70/628354670.db2.gz TYIDKFYCWAHOFR-OAHLLOKOSA-N 0 0 286.306 3.036 20 10 CGCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000779914661 628441685 /nfs/dbraw/zinc/44/16/85/628441685.db2.gz DGSZXRKULWFJNP-OCCSQVGLSA-N 0 0 276.424 3.359 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(F)c(OC)c1 ZINC000780572546 628501988 /nfs/dbraw/zinc/50/19/88/628501988.db2.gz LEOLOBICRKKVLJ-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(C)c(O)c1O ZINC000780906267 628523558 /nfs/dbraw/zinc/52/35/58/628523558.db2.gz CIZXYFRVAFYPBW-OAHLLOKOSA-N 0 0 297.354 3.132 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(F)(F)C2)cc1 ZINC000780969972 628527192 /nfs/dbraw/zinc/52/71/92/628527192.db2.gz MHBMWBQIILBTRX-UHFFFAOYSA-N 0 0 290.313 3.185 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(Cl)c1[O-] ZINC000806148586 628531709 /nfs/dbraw/zinc/53/17/09/628531709.db2.gz HYYUHHHSIKDQFP-JTNHKYCSSA-N 0 0 283.799 3.390 20 10 CGCDRN CN(CC1OCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000781963570 628607903 /nfs/dbraw/zinc/60/79/03/628607903.db2.gz KIXMERNOURTDEF-UHFFFAOYSA-N 0 0 299.370 3.075 20 10 CGCDRN O=C(OCCCc1ccsc1)C1=CC(=O)CS1 ZINC000783152530 628682120 /nfs/dbraw/zinc/68/21/20/628682120.db2.gz JLPCHWDHDYIUMT-UHFFFAOYSA-N 0 0 268.359 3.305 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2CC[C@H]1CCOC1 ZINC000783668521 628737169 /nfs/dbraw/zinc/73/71/69/628737169.db2.gz TYECGMYTYKPALN-LBPRGKRZSA-N 0 0 297.345 3.467 20 10 CGCDRN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783738362 628744265 /nfs/dbraw/zinc/74/42/65/628744265.db2.gz SDDNAQLSNRFMGO-SRVKXCTJSA-N 0 0 283.799 3.352 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccc(N(C)C)cc1 ZINC000783958923 628760515 /nfs/dbraw/zinc/76/05/15/628760515.db2.gz ZLRCCIMHOPRVKZ-BJMVGYQFSA-N 0 0 295.386 3.132 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](F)C(C)C)cc1 ZINC000784072364 628775520 /nfs/dbraw/zinc/77/55/20/628775520.db2.gz NLDKQLDCFDOTLF-OAHLLOKOSA-N 0 0 280.387 3.143 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1cnccc1C ZINC000784089743 628778221 /nfs/dbraw/zinc/77/82/21/628778221.db2.gz FMMGJORWBSPSPY-MDZDMXLPSA-N 0 0 296.370 3.465 20 10 CGCDRN COc1cccc(O)c1CNc1ccc2c(c1)C[C@H](OC)C2 ZINC000784637131 628826505 /nfs/dbraw/zinc/82/65/05/628826505.db2.gz QCHFYBFKTWCBGH-OAHLLOKOSA-N 0 0 299.370 3.127 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C23CCC(CC2)C3)cc1 ZINC000785079093 628851438 /nfs/dbraw/zinc/85/14/38/628851438.db2.gz UIONCVMLSTVVQC-UHFFFAOYSA-N 0 0 286.419 3.291 20 10 CGCDRN CC[C@H]([NH2+]CCC[C@@H](C)CO)c1cccc(Cl)c1[O-] ZINC000806149616 628855487 /nfs/dbraw/zinc/85/54/87/628855487.db2.gz GMJGLADRFPWLCT-RISCZKNCSA-N 0 0 285.815 3.495 20 10 CGCDRN CC(C)[C@H](NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000786840288 628966653 /nfs/dbraw/zinc/96/66/53/628966653.db2.gz HQICQNFDJRLXIP-ZDUSSCGKSA-N 0 0 273.298 3.298 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC[C@@H]1CCCO1 ZINC000787163613 628996236 /nfs/dbraw/zinc/99/62/36/628996236.db2.gz WIDGAXFVMXJCIM-AWEZNQCLSA-N 0 0 261.365 3.017 20 10 CGCDRN CC(C)(C)n1cnc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000790245203 629196684 /nfs/dbraw/zinc/19/66/84/629196684.db2.gz HWDYHDGZBOEFGA-UHFFFAOYSA-N 0 0 298.749 3.143 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC=C(C)C)c1 ZINC000790516519 629214831 /nfs/dbraw/zinc/21/48/31/629214831.db2.gz BAQNIYIKIBHSNX-GFCCVEGCSA-N 0 0 292.379 3.117 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC=C(C)C)c1 ZINC000790683023 629225393 /nfs/dbraw/zinc/22/53/93/629225393.db2.gz LDIRDVHDFNANFE-LBPRGKRZSA-N 0 0 277.364 3.186 20 10 CGCDRN O=C(N[C@@H](CC1CC1)c1ccccc1)c1cccc(O)c1O ZINC000790796049 629231401 /nfs/dbraw/zinc/23/14/01/629231401.db2.gz PLFJPABESMDRDZ-HNNXBMFYSA-N 0 0 297.354 3.369 20 10 CGCDRN CC(C)(CNC(=O)c1cccc(O)c1O)C1=CCCCC1 ZINC000790936404 629242274 /nfs/dbraw/zinc/24/22/74/629242274.db2.gz AHNJKQPQWMKTAL-UHFFFAOYSA-N 0 0 289.375 3.354 20 10 CGCDRN C[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790960544 629243827 /nfs/dbraw/zinc/24/38/27/629243827.db2.gz VTCGYQBQFROASU-KCJUWKMLSA-N 0 0 257.736 3.463 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCNc1ccccc1 ZINC000790972875 629244763 /nfs/dbraw/zinc/24/47/63/629244763.db2.gz IWLNZDDKUKGIRO-UHFFFAOYSA-N 0 0 294.757 3.386 20 10 CGCDRN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976845 629245394 /nfs/dbraw/zinc/24/53/94/629245394.db2.gz MYAOVKWAADHXFR-NXEZZACHSA-N 0 0 287.762 3.089 20 10 CGCDRN FC(F)(F)c1nsc(Sc2nccs2)n1 ZINC000791407417 629273224 /nfs/dbraw/zinc/27/32/24/629273224.db2.gz JAGFDQJBYLOIKY-UHFFFAOYSA-N 0 0 269.298 3.165 20 10 CGCDRN CCN(Cc1cc(F)c(N(C)C)cc1F)CC(F)F ZINC000862324040 629343487 /nfs/dbraw/zinc/34/34/87/629343487.db2.gz AMYVOVQJLQBUBE-UHFFFAOYSA-N 0 0 278.293 3.118 20 10 CGCDRN Cc1c[nH]c(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000862324310 629344306 /nfs/dbraw/zinc/34/43/06/629344306.db2.gz JJGFOCFKWUNZFP-UHFFFAOYSA-N 0 0 293.317 3.272 20 10 CGCDRN CO[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1C ZINC000792180386 629345703 /nfs/dbraw/zinc/34/57/03/629345703.db2.gz QZTPCWAXEPSXOM-TVQRCGJNSA-N 0 0 287.762 3.042 20 10 CGCDRN CC[C@@H]1CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862372836 629356079 /nfs/dbraw/zinc/35/60/79/629356079.db2.gz BOJVLSFNZFWQLY-LLVKDONJSA-N 0 0 254.324 3.015 20 10 CGCDRN CCC(O)(CC)C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000862539179 629394402 /nfs/dbraw/zinc/39/44/02/629394402.db2.gz IWGOBUTWWSADRA-UHFFFAOYSA-N 0 0 271.788 3.029 20 10 CGCDRN CC1(C)CCC(C)(C)N(C(=O)c2cccc(O)c2O)C1 ZINC000862586550 629414827 /nfs/dbraw/zinc/41/48/27/629414827.db2.gz BDONJZRRNFWHLU-UHFFFAOYSA-N 0 0 277.364 3.139 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2(C(F)(F)F)CCC2)c1 ZINC000862755855 629429984 /nfs/dbraw/zinc/42/99/84/629429984.db2.gz ZUTGYUZXYSMOEM-UHFFFAOYSA-N 0 0 287.281 3.049 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C2/CC[C@@H](C)C2)c1 ZINC000862758294 629430670 /nfs/dbraw/zinc/43/06/70/629430670.db2.gz VXUVJNXBCSEOPT-NASPGAHYSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1c(NCc2ccccc2O)cccc1NC(=O)N(C)C ZINC000793233504 629433400 /nfs/dbraw/zinc/43/34/00/629433400.db2.gz DDTSPXZAZMYDDA-UHFFFAOYSA-N 0 0 299.374 3.406 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793621531 629491284 /nfs/dbraw/zinc/49/12/84/629491284.db2.gz XLUANOOLTLSXAK-OAHLLOKOSA-N 0 0 299.773 3.187 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC2CC(C)(C)C2)cc1 ZINC000794212347 629523660 /nfs/dbraw/zinc/52/36/60/629523660.db2.gz PPFFDCIQWNTTRG-UHFFFAOYSA-N 0 0 274.408 3.195 20 10 CGCDRN COc1ccc(CNC(=O)/C=C(/C)C(C)(C)C)c(O)c1 ZINC000794382108 629538447 /nfs/dbraw/zinc/53/84/47/629538447.db2.gz XTMTXNUDYSFSNT-FLIBITNWSA-N 0 0 277.364 3.009 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2CCCCC2(C)C)c(O)c1 ZINC000794388607 629538621 /nfs/dbraw/zinc/53/86/21/629538621.db2.gz YRDKSQFVQDJDKZ-AWEZNQCLSA-N 0 0 291.391 3.233 20 10 CGCDRN Cn1nc(COc2ccc(N3CCCC3)cc2)cc1Cl ZINC000863459101 629578648 /nfs/dbraw/zinc/57/86/48/629578648.db2.gz KULIXLJAAQSJKW-UHFFFAOYSA-N 0 0 291.782 3.253 20 10 CGCDRN C[C@H]([NH2+]CCC1(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794826398 629582413 /nfs/dbraw/zinc/58/24/13/629582413.db2.gz CKPHEYXIBWMDQS-JTQLQIEISA-N 0 0 264.325 3.141 20 10 CGCDRN COc1ccc(CNc2ncnc3sccc32)c(O)c1 ZINC000794865160 629591459 /nfs/dbraw/zinc/59/14/59/629591459.db2.gz NTPABTMQHSCSSU-UHFFFAOYSA-N 0 0 287.344 3.018 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(N(C)C)cc1 ZINC000863906800 629694022 /nfs/dbraw/zinc/69/40/22/629694022.db2.gz XEZFATHJMSTFHX-DAXOMENPSA-N 0 0 298.386 3.327 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc(F)c1F ZINC000864050199 629741022 /nfs/dbraw/zinc/74/10/22/629741022.db2.gz YBSOBBNAADOQOT-MNOVXSKESA-N 0 0 285.359 3.140 20 10 CGCDRN C[C@H]1C[C@H]1Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000864370000 629820352 /nfs/dbraw/zinc/82/03/52/629820352.db2.gz PLGRAWGCXXNJES-IONNQARKSA-N 0 0 262.334 3.042 20 10 CGCDRN CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccc(F)cc1[O-] ZINC000796789535 629834958 /nfs/dbraw/zinc/83/49/58/629834958.db2.gz VFKJXQOGAKPLBE-UONOGXRCSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000796871206 629852088 /nfs/dbraw/zinc/85/20/88/629852088.db2.gz DUXYVCPNYFTQSR-PWSUYJOCSA-N 0 0 295.276 3.149 20 10 CGCDRN CC[C@H]([NH2+]CCOCC1CCC1)c1ccc(F)cc1[O-] ZINC000796940867 629862244 /nfs/dbraw/zinc/86/22/44/629862244.db2.gz JEMDYSDXQHVRPM-HNNXBMFYSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(F)cc1[O-] ZINC000796945131 629863283 /nfs/dbraw/zinc/86/32/83/629863283.db2.gz MIXAJBXQXMMFER-AWEZNQCLSA-N 0 0 281.371 3.125 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000797064649 629880469 /nfs/dbraw/zinc/88/04/69/629880469.db2.gz HRVSOGNGQPPUCW-TVYUQYBPSA-N 0 0 269.385 3.324 20 10 CGCDRN CC(=O)C(=O)COC(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000808520819 629945436 /nfs/dbraw/zinc/94/54/36/629945436.db2.gz YOFBSAMZWMNJHL-LBPRGKRZSA-N 0 0 290.359 3.005 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)c2ccccc12 ZINC000120285639 629954168 /nfs/dbraw/zinc/95/41/68/629954168.db2.gz QQKFEMWRLUZMBN-UHFFFAOYSA-N 0 0 294.354 3.156 20 10 CGCDRN CC1=C[C@@H](C)C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000797604757 629970539 /nfs/dbraw/zinc/97/05/39/629970539.db2.gz IKWAQTXGBNXKHU-SNVBAGLBSA-N 0 0 251.757 3.444 20 10 CGCDRN c1csc(SCc2ncnn2-c2ccccc2)n1 ZINC000798368452 630048599 /nfs/dbraw/zinc/04/85/99/630048599.db2.gz IMJLQWLTDLSSLC-UHFFFAOYSA-N 0 0 274.374 3.016 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc(F)cc1[O-] ZINC000798936575 630126810 /nfs/dbraw/zinc/12/68/10/630126810.db2.gz BUPBKHFDDZMZGU-OCCSQVGLSA-N 0 0 295.398 3.371 20 10 CGCDRN CCCCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839912662 630294458 /nfs/dbraw/zinc/29/44/58/630294458.db2.gz GIYNPSKCBAQHRI-AWEZNQCLSA-N 0 0 276.424 3.298 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCC1CC1 ZINC000839917320 630295132 /nfs/dbraw/zinc/29/51/32/630295132.db2.gz CLPKNHHITPGINF-AWEZNQCLSA-N 0 0 288.435 3.298 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)OCCCF ZINC000841571395 630392900 /nfs/dbraw/zinc/39/29/00/630392900.db2.gz YCEUFGZVMIKVBO-ZDUSSCGKSA-N 0 0 296.386 3.078 20 10 CGCDRN CC[C@@H](C)CCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000802782294 630411083 /nfs/dbraw/zinc/41/10/83/630411083.db2.gz QSNVXUDYHLDWCF-VXGBXAGGSA-N 0 0 279.380 3.404 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CC)CCO)c1cccc(Cl)c1[O-] ZINC000806141795 630545816 /nfs/dbraw/zinc/54/58/16/630545816.db2.gz VZXQDAWLYVRNNT-GXFFZTMASA-N 0 0 271.788 3.247 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc(Cl)c1[O-] ZINC000806149570 630549317 /nfs/dbraw/zinc/54/93/17/630549317.db2.gz FYNSHZZCTKRPJY-CYBMUJFWSA-N 0 0 279.771 3.020 20 10 CGCDRN Cn1ncc(NC(=O)C2=CC(=O)CS2)c1-c1ccccc1 ZINC000807780523 630599215 /nfs/dbraw/zinc/59/92/15/630599215.db2.gz XHJWBPSGNLHWHQ-UHFFFAOYSA-N 0 0 299.355 3.107 20 10 CGCDRN CN(C)c1ccc(CN[C@H](C2CC2)C(F)(F)F)cc1F ZINC000808438318 630645236 /nfs/dbraw/zinc/64/52/36/630645236.db2.gz BWBNLZBPZSVGPA-CYBMUJFWSA-N 0 0 290.304 3.322 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000809778952 630805303 /nfs/dbraw/zinc/80/53/03/630805303.db2.gz YZPXAMDAPVBQQE-VIFPVBQESA-N 0 0 289.803 3.418 20 10 CGCDRN CCN(Cc1cccnc1C)c1ccc(OC)cc1 ZINC000809957673 630820917 /nfs/dbraw/zinc/82/09/17/630820917.db2.gz TZWBJIPWZDUSSS-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccoc1C(F)(F)F ZINC000810156847 630848832 /nfs/dbraw/zinc/84/88/32/630848832.db2.gz WLQRHAQQNNSFTC-UHFFFAOYSA-N 0 0 299.248 3.276 20 10 CGCDRN Cc1ccc2c(c1)/C(=C/c1ccc(F)nc1)C(=O)N2C ZINC000811697387 631111270 /nfs/dbraw/zinc/11/12/70/631111270.db2.gz CQPONGBUHCUPFC-JYRVWZFOSA-N 0 0 268.291 3.046 20 10 CGCDRN CC(C)c1noc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000811809130 631121839 /nfs/dbraw/zinc/12/18/39/631121839.db2.gz YSPJIUSMOBFTSO-UHFFFAOYSA-N 0 0 287.363 3.390 20 10 CGCDRN Oc1ccc(CCNc2ccc3ccccc3n2)cc1O ZINC000811811284 631121894 /nfs/dbraw/zinc/12/18/94/631121894.db2.gz QVIQGRUCUZTVTJ-UHFFFAOYSA-N 0 0 280.327 3.301 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(C(F)(F)F)nn2)cc1C ZINC000811838280 631125765 /nfs/dbraw/zinc/12/57/65/631125765.db2.gz BSOBPHRSZZBNPB-UHFFFAOYSA-N 0 0 297.280 3.430 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1(C(F)F)CCCC1 ZINC000813480807 631429625 /nfs/dbraw/zinc/42/96/25/631429625.db2.gz PGSQICVMMHPUQT-UHFFFAOYSA-N 0 0 283.318 3.176 20 10 CGCDRN CC(C)(C)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000814299657 631569786 /nfs/dbraw/zinc/56/97/86/631569786.db2.gz BGUCKRFXNWYFOE-UHFFFAOYSA-N 0 0 266.341 3.215 20 10 CGCDRN COc1ccc(O)c(CNc2nccc(C(C)(C)C)n2)c1 ZINC000814850134 631654727 /nfs/dbraw/zinc/65/47/27/631654727.db2.gz ZKNRNZJMKLMMBV-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN CC[C@@H](NCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000815645049 631811273 /nfs/dbraw/zinc/81/12/73/631811273.db2.gz SZRQFIWYZIVPTC-CYBMUJFWSA-N 0 0 256.340 3.449 20 10 CGCDRN C[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCSC1 ZINC000816485468 631989931 /nfs/dbraw/zinc/98/99/31/631989931.db2.gz NZVWHLZPNTUPAW-AWEZNQCLSA-N 0 0 273.401 3.483 20 10 CGCDRN C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816512128 631997252 /nfs/dbraw/zinc/99/72/52/631997252.db2.gz XWMDFTBRFPVVOZ-QMMMGPOBSA-N 0 0 275.776 3.122 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000816516746 632002105 /nfs/dbraw/zinc/00/21/05/632002105.db2.gz ORFQMTARLAOKPU-SNVBAGLBSA-N 0 0 269.747 3.417 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816536043 632006096 /nfs/dbraw/zinc/00/60/96/632006096.db2.gz KDQMYQRAEIRPAX-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN CCN(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816545389 632007083 /nfs/dbraw/zinc/00/70/83/632007083.db2.gz OUTHILRNAUNYHH-UHFFFAOYSA-N 0 0 288.794 3.005 20 10 CGCDRN CCC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC000816564264 632012993 /nfs/dbraw/zinc/01/29/93/632012993.db2.gz ZINJUCHZHRAXSK-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN CC1(C)SC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816600584 632021147 /nfs/dbraw/zinc/02/11/47/632021147.db2.gz BYPSETJYCPYTAP-NSHDSACASA-N 0 0 275.776 3.168 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(O)ccc1C ZINC000816914286 632061312 /nfs/dbraw/zinc/06/13/12/632061312.db2.gz LMQDKWWLDTWRQU-UHFFFAOYSA-N 0 0 299.370 3.459 20 10 CGCDRN OCCCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817382260 632135189 /nfs/dbraw/zinc/13/51/89/632135189.db2.gz SMMIGYQHTFBVCN-UHFFFAOYSA-N 0 0 269.772 3.092 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CC1(F)F ZINC000817525361 632181146 /nfs/dbraw/zinc/18/11/46/632181146.db2.gz NPXSWYNZEXEMBA-HNNXBMFYSA-N 0 0 296.361 3.146 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCO1 ZINC000817585217 632190661 /nfs/dbraw/zinc/19/06/61/632190661.db2.gz CQNVWIRUMPWKKO-MVWJERBFSA-N 0 0 285.334 3.279 20 10 CGCDRN OCCOCc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000818361532 632315497 /nfs/dbraw/zinc/31/54/97/632315497.db2.gz KUKXLAFUMKPRRV-MRXNPFEDSA-N 0 0 299.370 3.001 20 10 CGCDRN CCC(CC)n1nc(C(=O)Nc2ccc(N)cc2)cc1C ZINC000818556509 632334127 /nfs/dbraw/zinc/33/41/27/632334127.db2.gz XQUFYFCXQHMFCB-UHFFFAOYSA-N 0 0 286.379 3.387 20 10 CGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(N)cc1 ZINC000818556340 632334130 /nfs/dbraw/zinc/33/41/30/632334130.db2.gz NAKZJOWBUMZYBH-VIFPVBQESA-N 0 0 273.336 3.006 20 10 CGCDRN O[C@@H](CNc1ccccc1OCCF)Cc1ccccc1 ZINC000819487378 632471633 /nfs/dbraw/zinc/47/16/33/632471633.db2.gz FHCXRDPLIPFKQB-OAHLLOKOSA-N 0 0 289.350 3.050 20 10 CGCDRN C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000820241749 632595956 /nfs/dbraw/zinc/59/59/56/632595956.db2.gz NGOSWTRBHKZIAF-MNOVXSKESA-N 0 0 288.351 3.110 20 10 CGCDRN C[C@H](CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822011298 632854651 /nfs/dbraw/zinc/85/46/51/632854651.db2.gz KAUUDUKJRLSGRM-SNVBAGLBSA-N 0 0 288.351 3.158 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC2(F)F)cc1 ZINC000822268515 632892291 /nfs/dbraw/zinc/89/22/91/632892291.db2.gz COTWDBPGICJGSC-AWEZNQCLSA-N 0 0 296.361 3.146 20 10 CGCDRN CCc1csc(Sc2ncc(C(=O)OC)s2)n1 ZINC000865843633 632914120 /nfs/dbraw/zinc/91/41/20/632914120.db2.gz QSHQGTLUDBIQRV-UHFFFAOYSA-N 0 0 286.403 3.100 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCF ZINC000822899191 633037270 /nfs/dbraw/zinc/03/72/70/633037270.db2.gz ZHCQOLVBCBOOFM-UHFFFAOYSA-N 0 0 280.387 3.239 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000866403106 633124770 /nfs/dbraw/zinc/12/47/70/633124770.db2.gz QRXAXDMIIWJZSJ-VHSXEESVSA-N 0 0 287.375 3.464 20 10 CGCDRN CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000866414312 633127637 /nfs/dbraw/zinc/12/76/37/633127637.db2.gz CYDCDDVELIOHFS-JQWIXIFHSA-N 0 0 271.788 3.247 20 10 CGCDRN C[C@@]1(C(=O)NCc2cc(Cl)ccc2O)C=CCC1 ZINC000823987129 633178884 /nfs/dbraw/zinc/17/88/84/633178884.db2.gz QBBVCFIYSCJUNU-CQSZACIVSA-N 0 0 265.740 3.018 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(F)cc1[O-] ZINC000866615966 633215686 /nfs/dbraw/zinc/21/56/86/633215686.db2.gz YAHFZOMRMNWTSS-GXFFZTMASA-N 0 0 277.343 3.067 20 10 CGCDRN Cc1cc(C)c(CN(C)c2ccc(N)cc2)c(C)n1 ZINC000866668104 633229570 /nfs/dbraw/zinc/22/95/70/633229570.db2.gz JOJMQESDJQQYFK-UHFFFAOYSA-N 0 0 255.365 3.225 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000867503156 633249136 /nfs/dbraw/zinc/24/91/36/633249136.db2.gz GULHGSFDVBGJAN-PASATYPHSA-N 0 0 286.419 3.222 20 10 CGCDRN CCc1ccc(N(CC)C(=O)/C=C(/C)c2cnccn2)cc1 ZINC000824820822 633297143 /nfs/dbraw/zinc/29/71/43/633297143.db2.gz OCOLQEABFACXTF-OWBHPGMISA-N 0 0 295.386 3.495 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC[C@H]1CCOC1 ZINC000825143701 633332110 /nfs/dbraw/zinc/33/21/10/633332110.db2.gz ICOSKEYVVUMLHY-JTQLQIEISA-N 0 0 287.762 3.091 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CC[C@H](C)C1)c1ccccc1O ZINC000868565904 633337003 /nfs/dbraw/zinc/33/70/03/633337003.db2.gz DFEHFQSUFXOHGU-YNEHKIRRSA-N 0 0 276.380 3.189 20 10 CGCDRN Cc1cc(O)c(CN2CCC[C@@H]2c2ncc[nH]2)cc1Cl ZINC000825515118 633361117 /nfs/dbraw/zinc/36/11/17/633361117.db2.gz XSCNWSNPMMBCMV-CYBMUJFWSA-N 0 0 291.782 3.414 20 10 CGCDRN COc1ccc(NCc2c(O)cccc2Cl)cc1CO ZINC000122340544 633376986 /nfs/dbraw/zinc/37/69/86/633376986.db2.gz SVGISCHCTAUCJA-UHFFFAOYSA-N 0 0 293.750 3.159 20 10 CGCDRN CC[C@@H](CC(C)C)C(=O)NCc1cc(OC)ccc1O ZINC000825840364 633383647 /nfs/dbraw/zinc/38/36/47/633383647.db2.gz SRBLGVCDVWXUNE-LBPRGKRZSA-N 0 0 279.380 3.089 20 10 CGCDRN COC1CC(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826796334 633433501 /nfs/dbraw/zinc/43/35/01/633433501.db2.gz IHDFZSNKMSHHIF-UHFFFAOYSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])O1 ZINC000827252165 633476402 /nfs/dbraw/zinc/47/64/02/633476402.db2.gz XVYILXVHFCHWLC-BXKDBHETSA-N 0 0 287.762 3.232 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCC[C@H]2C)c1 ZINC000827304311 633480846 /nfs/dbraw/zinc/48/08/46/633480846.db2.gz YANVWDGWNAFWSW-PEBVRCNWSA-N 0 0 291.391 3.404 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000827317291 633480987 /nfs/dbraw/zinc/48/09/87/633480987.db2.gz RKDUHGIKCFFUQK-CYBMUJFWSA-N 0 0 279.380 3.176 20 10 CGCDRN CCOc1ccc(N(C)Cc2nnc(C3CC3)s2)cc1 ZINC000827878570 633528800 /nfs/dbraw/zinc/52/88/00/633528800.db2.gz 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/nfs/dbraw/zinc/54/61/45/633546145.db2.gz CVOXFSJTAXIXMX-LBPRGKRZSA-N 0 0 267.344 3.087 20 10 CGCDRN CC[C@@H](c1ccncc1)N(CC)C(=O)C1=CC(=O)CS1 ZINC000828463612 633617132 /nfs/dbraw/zinc/61/71/32/633617132.db2.gz FPQHFEOBRAJQAL-ZDUSSCGKSA-N 0 0 290.388 3.462 20 10 CGCDRN C[C@H](c1ccccc1)[C@H](O)CN(C)c1ccc2c(c1)OCO2 ZINC000828498908 633620548 /nfs/dbraw/zinc/62/05/48/633620548.db2.gz HXXUOWDOMQBXDU-CZUORRHYSA-N 0 0 299.370 3.016 20 10 CGCDRN Cc1ccccc1CCC(=O)N1Cc2cccc(O)c2C1 ZINC000871202337 633723591 /nfs/dbraw/zinc/72/35/91/633723591.db2.gz DYCUENYSBJCWCR-UHFFFAOYSA-N 0 0 281.355 3.176 20 10 CGCDRN CCCc1occc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204806 633724579 /nfs/dbraw/zinc/72/45/79/633724579.db2.gz LJCITMVIZMTIJO-UHFFFAOYSA-N 0 0 271.316 3.094 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000830147792 633832406 /nfs/dbraw/zinc/83/24/06/633832406.db2.gz YIJJUNFKDYMKQD-FICVDOATSA-N 0 0 273.376 3.177 20 10 CGCDRN O=C(NCc1ccccc1O)C1CCC(C2CC2)CC1 ZINC000830526856 633868964 /nfs/dbraw/zinc/86/89/64/633868964.db2.gz RPHULIYCNDGESP-UHFFFAOYSA-N 0 0 273.376 3.225 20 10 CGCDRN CC(C)C[C@@H](C)OC(=O)N(C)Cc1ccccc1O ZINC000830609645 633873824 /nfs/dbraw/zinc/87/38/24/633873824.db2.gz KUOFJPXINKHYHU-GFCCVEGCSA-N 0 0 265.353 3.395 20 10 CGCDRN CCOc1ccccc1NCc1nccn1CC(F)F ZINC000871803422 633873988 /nfs/dbraw/zinc/87/39/88/633873988.db2.gz BFGCSYMAOMFXIW-UHFFFAOYSA-N 0 0 281.306 3.159 20 10 CGCDRN Cc1nccc(CNc2ccccc2NC(C)C)n1 ZINC000871845672 633889447 /nfs/dbraw/zinc/88/94/47/633889447.db2.gz GZYRVEIYFVKPLU-UHFFFAOYSA-N 0 0 256.353 3.217 20 10 CGCDRN CCCOc1ccc(C[NH2+]CC[C@@H](C)CC(=O)[O-])cc1C ZINC000871877767 633906709 /nfs/dbraw/zinc/90/67/09/633906709.db2.gz UCLYGBDSUSOPRM-CYBMUJFWSA-N 0 0 293.407 3.374 20 10 CGCDRN CCCOc1ccc(C[NH2+]CC[C@H](C)CC(=O)[O-])cc1C ZINC000871877768 633907385 /nfs/dbraw/zinc/90/73/85/633907385.db2.gz UCLYGBDSUSOPRM-ZDUSSCGKSA-N 0 0 293.407 3.374 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H](CC(=O)[O-])C(C)C)cc1C ZINC000871878888 633908386 /nfs/dbraw/zinc/90/83/86/633908386.db2.gz VNHCCVJPIVSCQS-OAHLLOKOSA-N 0 0 293.407 3.373 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c(O)c1 ZINC000831032486 633912010 /nfs/dbraw/zinc/91/20/10/633912010.db2.gz DVQNBCIZGCUSSZ-JHJVBQTASA-N 0 0 291.391 3.089 20 10 CGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)ccc1O ZINC000846119065 636147688 /nfs/dbraw/zinc/14/76/88/636147688.db2.gz WSAIIDGCDDUWIM-CYBMUJFWSA-N 0 0 297.370 3.083 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118745 636147714 /nfs/dbraw/zinc/14/77/14/636147714.db2.gz YUDCYWRNWJQBLO-LBPRGKRZSA-N 0 0 291.700 3.416 20 10 CGCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000846185335 636155840 /nfs/dbraw/zinc/15/58/40/636155840.db2.gz UVBWNDIFTHSWKZ-GLQYFDAESA-N 0 0 283.387 3.369 20 10 CGCDRN COc1cccc([C@@H](C)NCc2ncc(Cl)s2)c1O ZINC000872112095 634036958 /nfs/dbraw/zinc/03/69/58/634036958.db2.gz HKRMTDYSVGSDJK-MRVPVSSYSA-N 0 0 298.795 3.362 20 10 CGCDRN CCn1ncc(N[C@@H]2CCc3cccc(O)c32)c1C ZINC000872139126 634062672 /nfs/dbraw/zinc/06/26/72/634062672.db2.gz GMTKFBTUYSJOHQ-GFCCVEGCSA-N 0 0 257.337 3.016 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000872170452 634075729 /nfs/dbraw/zinc/07/57/29/634075729.db2.gz HZSMSNIZBYWYBQ-CHWSQXEVSA-N 0 0 271.364 3.392 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCCCc3cccnc32)cn1 ZINC000872291670 634104012 /nfs/dbraw/zinc/10/40/12/634104012.db2.gz ZGCLGYMMGWCSKK-MDZDMXLPSA-N 0 0 293.370 3.168 20 10 CGCDRN O=C(NC[C@@H]1CCCCC1(F)F)C1=CC(=O)CS1 ZINC000833379386 634120075 /nfs/dbraw/zinc/12/00/75/634120075.db2.gz NZNSEDCIDLMMPA-QMMMGPOBSA-N 0 0 275.320 3.009 20 10 CGCDRN CCc1cccc(OCCN(C)c2ccc(N)cc2)c1 ZINC000019727613 634219281 /nfs/dbraw/zinc/21/92/81/634219281.db2.gz XEIQAKDCKYTLSP-UHFFFAOYSA-N 0 0 270.376 3.346 20 10 CGCDRN Cn1ncc(N[C@@H]2CCc3cccc(O)c32)c1C1CC1 ZINC000834769159 634239328 /nfs/dbraw/zinc/23/93/28/634239328.db2.gz INBPMDQBBGHQKM-GFCCVEGCSA-N 0 0 269.348 3.103 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CCc3ncsc3C2)cc1 ZINC000835044576 634331395 /nfs/dbraw/zinc/33/13/95/634331395.db2.gz AKMRRYZCEKWNBF-ARJAWSKDSA-N 0 0 299.443 3.281 20 10 CGCDRN Nc1ccc(CNC(=O)C2(Cc3ccccc3F)CC2)cc1 ZINC000837303398 634882554 /nfs/dbraw/zinc/88/25/54/634882554.db2.gz LKGNRPAFLMIIDS-UHFFFAOYSA-N 0 0 298.361 3.047 20 10 CGCDRN COCc1cccc(NCc2ccc(C)cc2O)c1 ZINC000876823127 634907192 /nfs/dbraw/zinc/90/71/92/634907192.db2.gz ZGGQCMQGAHHRRV-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C2CCC2)c1 ZINC000837486289 634918589 /nfs/dbraw/zinc/91/85/89/634918589.db2.gz XAPYGVKKMSHFQC-MNOVXSKESA-N 0 0 277.364 3.014 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC000877043809 634961445 /nfs/dbraw/zinc/96/14/45/634961445.db2.gz OLWJUPAUAYSCAG-CHWSQXEVSA-N 0 0 297.345 3.108 20 10 CGCDRN C[C@H](CN(C)C(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000877058977 634966308 /nfs/dbraw/zinc/96/63/08/634966308.db2.gz ICDOIMWRQCMUPG-CQSZACIVSA-N 0 0 288.435 3.486 20 10 CGCDRN CN(C(=O)C[C@H]1CCOc2ccccc21)c1ccc(N)cc1 ZINC000877078572 634975641 /nfs/dbraw/zinc/97/56/41/634975641.db2.gz VFOWZWHQNCJLBV-CYBMUJFWSA-N 0 0 296.370 3.188 20 10 CGCDRN Cc1ccccc1C1(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877078387 634975900 /nfs/dbraw/zinc/97/59/00/634975900.db2.gz OEGXRIBPJCEAQD-UHFFFAOYSA-N 0 0 280.371 3.272 20 10 CGCDRN Cc1ccc(CNc2ccc3c(c2)CCC(=O)N3C)c(O)c1 ZINC000877159993 635003276 /nfs/dbraw/zinc/00/32/76/635003276.db2.gz CKXAGODCRHKDHA-UHFFFAOYSA-N 0 0 296.370 3.222 20 10 CGCDRN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1csnn1 ZINC000840886185 635074036 /nfs/dbraw/zinc/07/40/36/635074036.db2.gz QYBGWSXPLUKTMB-KHQFGBGNSA-N 0 0 293.367 3.282 20 10 CGCDRN Cc1cccc(O)c1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000877536300 635077193 /nfs/dbraw/zinc/07/71/93/635077193.db2.gz NDKODICPTZQTBT-UHFFFAOYSA-N 0 0 297.354 3.074 20 10 CGCDRN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000877540317 635079422 /nfs/dbraw/zinc/07/94/22/635079422.db2.gz WFBSDNACPPXSJZ-WFASDCNBSA-N 0 0 297.345 3.060 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1C)CC(F)F ZINC000840940379 635087424 /nfs/dbraw/zinc/08/74/24/635087424.db2.gz ZSAOPZZAPZKBTK-UHFFFAOYSA-N 0 0 256.340 3.148 20 10 CGCDRN CCN(CC)c1ccc(CNCc2ccn(CC)n2)cc1 ZINC000840956079 635093021 /nfs/dbraw/zinc/09/30/21/635093021.db2.gz JMRCUNXEFBDOEV-UHFFFAOYSA-N 0 0 286.423 3.039 20 10 CGCDRN COC1([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000840970882 635097402 /nfs/dbraw/zinc/09/74/02/635097402.db2.gz ZCJOHDJAGZBDOA-VIFPVBQESA-N 0 0 287.762 3.232 20 10 CGCDRN Oc1ccc(Cl)cc1CNCc1nnc(C2CC2)s1 ZINC000840973712 635098158 /nfs/dbraw/zinc/09/81/58/635098158.db2.gz SVGYQNACHUGUFO-UHFFFAOYSA-N 0 0 295.795 3.064 20 10 CGCDRN COc1ccc(O)c(CN2CCCNc3ccccc32)c1 ZINC000841089384 635121022 /nfs/dbraw/zinc/12/10/22/635121022.db2.gz MFDPLGTYHNLVCH-UHFFFAOYSA-N 0 0 284.359 3.223 20 10 CGCDRN CCC1(CC)CN(C(=O)Nc2ccc(N)cc2)CCS1 ZINC000841296671 635148498 /nfs/dbraw/zinc/14/84/98/635148498.db2.gz WYFDKPZMCFQMEO-UHFFFAOYSA-N 0 0 293.436 3.408 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000841298646 635149749 /nfs/dbraw/zinc/14/97/49/635149749.db2.gz CJNLQBANMBLBOC-TYNCELHUSA-N 0 0 273.380 3.359 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000841298643 635149998 /nfs/dbraw/zinc/14/99/98/635149998.db2.gz CJNLQBANMBLBOC-SLEUVZQESA-N 0 0 273.380 3.359 20 10 CGCDRN COc1cc(F)cc(CN2Cc3cccc(O)c3C2)c1 ZINC000877703106 635155807 /nfs/dbraw/zinc/15/58/07/635155807.db2.gz RQPJTBXMDVXFID-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN Cc1cccc2c1CCN2C(=O)/C=C/c1cncc(F)c1 ZINC000104341170 635178913 /nfs/dbraw/zinc/17/89/13/635178913.db2.gz AJWPQNHXFWWADS-AATRIKPKSA-N 0 0 282.318 3.132 20 10 CGCDRN CCCC[C@H](CC)CNC(=O)NCCc1ccc(N)cc1 ZINC000841610997 635196359 /nfs/dbraw/zinc/19/63/59/635196359.db2.gz WTMUBYJQMZYLSP-AWEZNQCLSA-N 0 0 291.439 3.327 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877805759 635209693 /nfs/dbraw/zinc/20/96/93/635209693.db2.gz LAUXDVJTBJDARG-LJWDBELGSA-N 0 0 299.773 3.232 20 10 CGCDRN CCn1cc(N[C@@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841750525 635225294 /nfs/dbraw/zinc/22/52/94/635225294.db2.gz RPXOVHSMYNOAAG-VIFPVBQESA-N 0 0 265.744 3.435 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755787 635230106 /nfs/dbraw/zinc/23/01/06/635230106.db2.gz RXYXUTBAHCUWLE-NWDGAFQWSA-N 0 0 285.815 3.495 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(F)cc1[O-] ZINC000841758420 635230937 /nfs/dbraw/zinc/23/09/37/635230937.db2.gz AUNIRQQBCSGTSA-BDJLRTHQSA-N 0 0 287.334 3.453 20 10 CGCDRN CCn1ncc(NCc2ccc(N(C)C)cc2C)c1C ZINC000877834394 635235649 /nfs/dbraw/zinc/23/56/49/635235649.db2.gz QUZVKAJVOYPTPA-UHFFFAOYSA-N 0 0 272.396 3.198 20 10 CGCDRN COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000841793890 635236057 /nfs/dbraw/zinc/23/60/57/635236057.db2.gz QNGVVYDFGJIIJB-AWEZNQCLSA-N 0 0 293.407 3.230 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])CC(C)(C)C)cc1C ZINC000841800269 635237269 /nfs/dbraw/zinc/23/72/69/635237269.db2.gz AZAAFZYIPDRJEW-AWEZNQCLSA-N 0 0 293.407 3.373 20 10 CGCDRN Cc1ccc2c(c1)N[C@H](c1ccc(N(C)C)c(F)c1)NC2=O ZINC000877863883 635245385 /nfs/dbraw/zinc/24/53/85/635245385.db2.gz JRYKKWGJKCJDSP-INIZCTEOSA-N 0 0 299.349 3.054 20 10 CGCDRN CCn1cncc1CN1CCCCc2cc(OC)ccc21 ZINC000841886449 635246144 /nfs/dbraw/zinc/24/61/44/635246144.db2.gz NGZVAGONPPSJPT-UHFFFAOYSA-N 0 0 285.391 3.255 20 10 CGCDRN CC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841911667 635251214 /nfs/dbraw/zinc/25/12/14/635251214.db2.gz CQLZZSNLMQDGQG-INIZCTEOSA-N 0 0 289.423 3.079 20 10 CGCDRN CC(C)N(CC1CCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841960236 635252702 /nfs/dbraw/zinc/25/27/02/635252702.db2.gz YVDOARXMSOBQFB-UHFFFAOYSA-N 0 0 289.423 3.031 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1nc(C2CCC2)no1 ZINC000877944134 635283687 /nfs/dbraw/zinc/28/36/87/635283687.db2.gz KXUQUZRCVMHFNI-UHFFFAOYSA-N 0 0 299.374 3.299 20 10 CGCDRN O=C(NCc1ccccc1O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000878559316 635556438 /nfs/dbraw/zinc/55/64/38/635556438.db2.gz CCFRMANDKKEPEX-RZDIXWSQSA-N 0 0 299.345 3.078 20 10 CGCDRN O=c1[nH]c2cc(NCc3c(O)cccc3Cl)ccc2o1 ZINC000127295947 635614898 /nfs/dbraw/zinc/61/48/98/635614898.db2.gz HOIBKZBUFQSYJC-UHFFFAOYSA-N 0 0 290.706 3.092 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC2(CCC2)O1 ZINC000843435129 635675674 /nfs/dbraw/zinc/67/56/74/635675674.db2.gz IGCSEKIWBXSQLN-LLVKDONJSA-N 0 0 281.783 3.189 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\C1CCCC1 ZINC000843552135 635700730 /nfs/dbraw/zinc/70/07/30/635700730.db2.gz XXDHVHVCZIPKPD-FLIBITNWSA-N 0 0 286.419 3.424 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\C2CCCC2)c1 ZINC000843830138 635786479 /nfs/dbraw/zinc/78/64/79/635786479.db2.gz CUKNJKMAJULSFE-UMAGTOLTSA-N 0 0 289.375 3.324 20 10 CGCDRN C[C@@H](N[C@H](C)c1ccccc1O)c1nc(C2CC2)no1 ZINC000879649003 635826233 /nfs/dbraw/zinc/82/62/33/635826233.db2.gz IUZCFWKHDWOGBT-NXEZZACHSA-N 0 0 273.336 3.064 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc3n(n2)CCCC3)cc1 ZINC000844300107 635863827 /nfs/dbraw/zinc/86/38/27/635863827.db2.gz 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/nfs/dbraw/zinc/14/05/92/636140592.db2.gz SVBZBAPUIKAFST-LLVKDONJSA-N 0 0 281.783 3.189 20 10 CGCDRN C[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000846071859 636141718 /nfs/dbraw/zinc/14/17/18/636141718.db2.gz BGMSXLHZGHPJDW-SECBINFHSA-N 0 0 287.762 3.089 20 10 CGCDRN O=C(NCC[C@H]1CCCC1(F)F)C1=CC(=O)CS1 ZINC000881582821 636150801 /nfs/dbraw/zinc/15/08/01/636150801.db2.gz WMORHDHPUDYARL-MRVPVSSYSA-N 0 0 275.320 3.009 20 10 CGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473503 636187384 /nfs/dbraw/zinc/18/73/84/636187384.db2.gz MNJWTTVIKBRMIP-DOMZBBRYSA-N 0 0 281.783 3.344 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2cc(Cl)ccc2O)o1 ZINC000846474705 636188077 /nfs/dbraw/zinc/18/80/77/636188077.db2.gz AHVJVAQHMYVEAE-UHFFFAOYSA-N 0 0 293.750 3.196 20 10 CGCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000846657461 636213920 /nfs/dbraw/zinc/21/39/20/636213920.db2.gz BFHLXNZRTNSCBG-QWHCGFSZSA-N 0 0 273.357 3.048 20 10 CGCDRN CCOCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846749232 636222386 /nfs/dbraw/zinc/22/23/86/636222386.db2.gz CTMHCHMZPZDPSZ-UHFFFAOYSA-N 0 0 262.378 3.283 20 10 CGCDRN Cc1cc(O)ccc1NS(=O)(=O)CCC1CCCC1 ZINC000882706442 636390743 /nfs/dbraw/zinc/39/07/43/636390743.db2.gz FUPUHVBMYFIILO-UHFFFAOYSA-N 0 0 283.393 3.023 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2=CCCCC2)c1 ZINC000106917600 636392946 /nfs/dbraw/zinc/39/29/46/636392946.db2.gz USEVXMKCINNTRH-GFCCVEGCSA-N 0 0 289.375 3.469 20 10 CGCDRN CCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882921627 636463916 /nfs/dbraw/zinc/46/39/16/636463916.db2.gz LYWKILJKMQBHJU-UHFFFAOYSA-N 0 0 293.313 3.359 20 10 CGCDRN CCc1cnc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883020361 636509887 /nfs/dbraw/zinc/50/98/87/636509887.db2.gz AXSUCQCADOQDLQ-UHFFFAOYSA-N 0 0 298.358 3.022 20 10 CGCDRN CC(C)OC1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883074862 636530306 /nfs/dbraw/zinc/53/03/06/636530306.db2.gz LKMSYKQBHCVQDE-UHFFFAOYSA-N 0 0 299.361 3.496 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000883108999 636542996 /nfs/dbraw/zinc/54/29/96/636542996.db2.gz AXOQALLCGAHPEB-QMMMGPOBSA-N 0 0 277.261 3.195 20 10 CGCDRN Cc1cc(C(=O)NC2(C)CC=CC2)c(C)n1-c1ccccn1 ZINC000848269263 636548947 /nfs/dbraw/zinc/54/89/47/636548947.db2.gz WFSLVEFOSCUTEL-UHFFFAOYSA-N 0 0 295.386 3.328 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000883184044 636571077 /nfs/dbraw/zinc/57/10/77/636571077.db2.gz OALJYDPIZIGAFG-MRVPVSSYSA-N 0 0 296.144 3.344 20 10 CGCDRN COc1ccc2c(c1)CN(Cc1cc(C)cc(OC)c1O)C2 ZINC000848500167 636582403 /nfs/dbraw/zinc/58/24/03/636582403.db2.gz WEACTSAGEKZOSP-UHFFFAOYSA-N 0 0 299.370 3.234 20 10 CGCDRN CCc1nocc1COc1ccc(N2CCCC2)cc1 ZINC000848510516 636583511 /nfs/dbraw/zinc/58/35/11/636583511.db2.gz UIGMROBPWBLWHA-UHFFFAOYSA-N 0 0 272.348 3.416 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)N[C@H](C)C(F)F)cc1 ZINC000883399585 636739642 /nfs/dbraw/zinc/73/96/42/636739642.db2.gz RELCVOZYHCDFGC-GHMZBOCLSA-N 0 0 256.340 3.447 20 10 CGCDRN Cc1cccc([C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000131734549 636744889 /nfs/dbraw/zinc/74/48/89/636744889.db2.gz ZHPXKNRWZLLCGV-OAHLLOKOSA-N 0 0 296.414 3.481 20 10 CGCDRN C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000087044099 636789650 /nfs/dbraw/zinc/78/96/50/636789650.db2.gz FFEWNQNGIRVKGW-BWBHSNQOSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000883582027 636796470 /nfs/dbraw/zinc/79/64/70/636796470.db2.gz LDXBEGPZOGHLNJ-UONOGXRCSA-N 0 0 287.407 3.079 20 10 CGCDRN C[C@@H](NC(=O)NCC1(CC2CC2)CC1)c1ccccc1O ZINC000883807104 636845721 /nfs/dbraw/zinc/84/57/21/636845721.db2.gz IOYBBKLNOJJJLX-GFCCVEGCSA-N 0 0 288.391 3.333 20 10 CGCDRN CC(C)(C)C(=O)OCSc1ncc(Cl)s1 ZINC000850000277 636922893 /nfs/dbraw/zinc/92/28/93/636922893.db2.gz OTJRWGQKRRRDIW-UHFFFAOYSA-N 0 0 265.787 3.435 20 10 CGCDRN CC(C)CNC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999022 636923793 /nfs/dbraw/zinc/92/37/93/636923793.db2.gz MKSLGOWDWSLDKE-SSDOTTSWSA-N 0 0 278.830 3.049 20 10 CGCDRN O=c1cc(CSc2ncc(Cl)s2)nc(C2CC2)[nH]1 ZINC000850002265 636926173 /nfs/dbraw/zinc/92/61/73/636926173.db2.gz YSRVCFUCXDYVQE-UHFFFAOYSA-N 0 0 299.808 3.462 20 10 CGCDRN CCC1(C)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000133979487 636991499 /nfs/dbraw/zinc/99/14/99/636991499.db2.gz HPHLMPWUWYYKIZ-UHFFFAOYSA-N 0 0 263.381 3.413 20 10 CGCDRN CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134900405 637048251 /nfs/dbraw/zinc/04/82/51/637048251.db2.gz JHLZXPDIENZTHB-ZETCQYMHSA-N 0 0 276.149 3.354 20 10 CGCDRN Cc1ccc(O)c(CNCC(F)(F)C(C)(C)C)c1 ZINC000850410076 637053277 /nfs/dbraw/zinc/05/32/77/637053277.db2.gz MVCBOZKJQNAUID-UHFFFAOYSA-N 0 0 257.324 3.472 20 10 CGCDRN Cc1ccncc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000850507980 637095285 /nfs/dbraw/zinc/09/52/85/637095285.db2.gz QNRNUCGFDYMLRJ-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850536540 637112551 /nfs/dbraw/zinc/11/25/51/637112551.db2.gz KZMVBLBPNFZSOP-KRTXAFLBSA-N 0 0 277.261 3.366 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000850570130 637127903 /nfs/dbraw/zinc/12/79/03/637127903.db2.gz DSTMJJWBMOMGLK-FZMZJTMJSA-N 0 0 281.371 3.387 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000886231343 637465807 /nfs/dbraw/zinc/46/58/07/637465807.db2.gz BVGRMHGKNNGJCJ-MAUKXSAKSA-N 0 0 287.403 3.338 20 10 CGCDRN COc1cc(N(C)CCC2CCC2)cc(OC)c1OC ZINC000851784417 637502461 /nfs/dbraw/zinc/50/24/61/637502461.db2.gz UFDHQDNAQSJJSH-UHFFFAOYSA-N 0 0 279.380 3.339 20 10 CGCDRN CCCN(Cc1coc(C)n1)Cc1ccccc1O ZINC000851791909 637505813 /nfs/dbraw/zinc/50/58/13/637505813.db2.gz INWDWXVCBKOWJY-UHFFFAOYSA-N 0 0 260.337 3.101 20 10 CGCDRN CCc1nc(CC[NH2+][C@H](C)c2c([O-])cccc2F)cs1 ZINC000886521291 637550953 /nfs/dbraw/zinc/55/09/53/637550953.db2.gz YCCKQVDAWKZBAR-SNVBAGLBSA-N 0 0 294.395 3.444 20 10 CGCDRN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530507 637557086 /nfs/dbraw/zinc/55/70/86/637557086.db2.gz LTUZWKGGNCPBDA-KOLCDFICSA-N 0 0 292.354 3.418 20 10 CGCDRN C[C@H]([NH2+]CCCNc1ccccn1)c1c([O-])cccc1F ZINC000886536941 637561207 /nfs/dbraw/zinc/56/12/07/637561207.db2.gz QUCGOYBVJQMQHT-LBPRGKRZSA-N 0 0 289.354 3.079 20 10 CGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886543155 637570572 /nfs/dbraw/zinc/57/05/72/637570572.db2.gz LGWLGUYWSNKTKV-UHIISALHSA-N 0 0 293.338 3.287 20 10 CGCDRN CCn1ncc(CN(C)c2ccc(-c3nccs3)cc2)n1 ZINC000852166211 637609862 /nfs/dbraw/zinc/60/98/62/637609862.db2.gz NHWMVQJZYZBRKW-UHFFFAOYSA-N 0 0 299.403 3.058 20 10 CGCDRN CCn1cc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886621875 637612494 /nfs/dbraw/zinc/61/24/94/637612494.db2.gz DULSIIOYWVLIFE-WDEREUQCSA-N 0 0 277.343 3.160 20 10 CGCDRN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1c([O-])cccc1F ZINC000886624814 637614901 /nfs/dbraw/zinc/61/49/01/637614901.db2.gz AONPFYBEEKJCPP-KXUCPTDWSA-N 0 0 255.358 3.076 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886646330 637626090 /nfs/dbraw/zinc/62/60/90/637626090.db2.gz FVXAEIDRMBERFY-XTQGRXLLSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1c([O-])cccc1F ZINC000886646962 637626551 /nfs/dbraw/zinc/62/65/51/637626551.db2.gz ZFIXMASHTXWHND-QWHCGFSZSA-N 0 0 293.382 3.389 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1c([O-])cccc1F ZINC000886720317 637673050 /nfs/dbraw/zinc/67/30/50/637673050.db2.gz ZTABLBBFFNXIFA-NWDGAFQWSA-N 0 0 281.371 3.387 20 10 CGCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000852795739 637714634 /nfs/dbraw/zinc/71/46/34/637714634.db2.gz JTEAAMLPIUBSGM-GDBMZVCRSA-N 0 0 274.408 3.144 20 10 CGCDRN CN(Cc1ccccc1O)c1cc(C(C)(C)C)ncn1 ZINC000853462317 637849358 /nfs/dbraw/zinc/84/93/58/637849358.db2.gz QMQZECRWTIVUNS-UHFFFAOYSA-N 0 0 271.364 3.116 20 10 CGCDRN CCOC(=O)c1cnc(SCCSCC)s1 ZINC000853478705 637852123 /nfs/dbraw/zinc/85/21/23/637852123.db2.gz MYJQJSVSDPTDPS-UHFFFAOYSA-N 0 0 277.436 3.165 20 10 CGCDRN CO[C@H](COc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000853675079 637889619 /nfs/dbraw/zinc/88/96/19/637889619.db2.gz MTTDULCPNCHGLU-QGZVFWFLSA-N 0 0 275.392 3.481 20 10 CGCDRN Cc1sc(NC(=O)c2cccc(O)c2O)nc1C(C)C ZINC000855236699 638160517 /nfs/dbraw/zinc/16/05/17/638160517.db2.gz AZESAUBUCKMOJC-UHFFFAOYSA-N 0 0 292.360 3.238 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855369206 638176228 /nfs/dbraw/zinc/17/62/28/638176228.db2.gz YPEXBSWHQBQOPZ-MXMFLMJRSA-N 0 0 277.364 3.052 20 10 CGCDRN COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000011556924 638265120 /nfs/dbraw/zinc/26/51/20/638265120.db2.gz KZWDYPQACALCMR-UHFFFAOYSA-N 0 0 299.374 3.083 20 10 CGCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(C)cc1C ZINC000930322622 638277160 /nfs/dbraw/zinc/27/71/60/638277160.db2.gz BVOXDJQBDLQOBU-VQHVLOKHSA-N 0 0 283.375 3.103 20 10 CGCDRN Cc1nc2c(o1)CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000924900130 638422599 /nfs/dbraw/zinc/42/25/99/638422599.db2.gz JWJLNTFKTCRQAY-AWEZNQCLSA-N 0 0 284.359 3.085 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cn(C)nc2Cl)cc1 ZINC000857040585 638438928 /nfs/dbraw/zinc/43/89/28/638438928.db2.gz WNAVKXJWFPSUSD-UHFFFAOYSA-N 0 0 293.798 3.497 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCCc2ccccc2)c1 ZINC000858087879 638622953 /nfs/dbraw/zinc/62/29/53/638622953.db2.gz VLSNQWHXPRWQFU-UHFFFAOYSA-N 0 0 298.386 3.133 20 10 CGCDRN COc1ccc(NCc2cc(F)c(N(C)C)cc2F)nc1 ZINC000858150905 638645775 /nfs/dbraw/zinc/64/57/75/638645775.db2.gz NCPOJHPMGKBCFU-UHFFFAOYSA-N 0 0 293.317 3.047 20 10 CGCDRN COc1cc(N[C@@H](C)c2cc(F)ccc2O)cnc1OC ZINC000858481805 638734677 /nfs/dbraw/zinc/73/46/77/638734677.db2.gz KQNUZERCVAIURS-VIFPVBQESA-N 0 0 292.310 3.117 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(F)cc1[O-] ZINC000927091949 638840616 /nfs/dbraw/zinc/84/06/16/638840616.db2.gz ULGGFKROZMPFFP-LLVKDONJSA-N 0 0 287.334 3.317 20 10 CGCDRN CCc1onc(C)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000927130878 638845972 /nfs/dbraw/zinc/84/59/72/638845972.db2.gz HOOADXHODISJHG-SNVBAGLBSA-N 0 0 278.327 3.241 20 10 CGCDRN CCC1(C(=O)NCc2c(O)cccc2F)CCCC1 ZINC000928706489 638889450 /nfs/dbraw/zinc/88/94/50/638889450.db2.gz UNYJBAALYPKXSA-UHFFFAOYSA-N 0 0 265.328 3.118 20 10 CGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCC=CCCC1 ZINC000928709928 638889680 /nfs/dbraw/zinc/88/96/80/638889680.db2.gz OAEKKWWYHXCTCQ-LBPRGKRZSA-N 0 0 277.339 3.284 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)OCCC(C)C)c1 ZINC000859006916 639058536 /nfs/dbraw/zinc/05/85/36/639058536.db2.gz ONIHJGDRWMEYMU-LLVKDONJSA-N 0 0 281.352 3.234 20 10 CGCDRN CCOc1ccc(N(CC)CCOC2CCOCC2)cc1 ZINC000859175490 639099070 /nfs/dbraw/zinc/09/90/70/639099070.db2.gz LODBHHRYBYORJT-UHFFFAOYSA-N 0 0 293.407 3.107 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C3(C)CC=CC3)ccc21 ZINC000931152192 639118754 /nfs/dbraw/zinc/11/87/54/639118754.db2.gz JUHIIXXHDHNCHE-UHFFFAOYSA-N 0 0 284.403 3.042 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCC12CC2 ZINC000859421105 639139399 /nfs/dbraw/zinc/13/93/99/639139399.db2.gz LMFOBIMTEQPZOC-INIZCTEOSA-N 0 0 286.419 3.258 20 10 CGCDRN CC1(C(=O)NCc2ccc(N)cc2)CCC(F)(F)CC1 ZINC000859594093 639170787 /nfs/dbraw/zinc/17/07/87/639170787.db2.gz 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3.247 20 10 CGCDRN O=C(NCC1CCCCCCC1)c1c(F)ccc(O)c1O ZINC001160605595 806288938 /nfs/dbraw/zinc/28/89/38/806288938.db2.gz SHCGOKWEPAVUEB-UHFFFAOYSA-N 0 0 295.354 3.327 20 10 CGCDRN Cc1cccc(CNc2cc(C3CCC3)ncn2)c1O ZINC001160771158 806302259 /nfs/dbraw/zinc/30/22/59/806302259.db2.gz MKNXGYSEHMFUFL-UHFFFAOYSA-N 0 0 269.348 3.370 20 10 CGCDRN Nc1ccc(CNc2cc3ccc(Cl)nc3cn2)cc1 ZINC001162786145 806665596 /nfs/dbraw/zinc/66/55/96/806665596.db2.gz QQUXVFHPOMOYMY-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN Cc1cc(NCc2ccc(N)cc2)nc(C(C)(C)C)n1 ZINC001162786919 806665607 /nfs/dbraw/zinc/66/56/07/806665607.db2.gz COZUJHMZOIRDTO-UHFFFAOYSA-N 0 0 270.380 3.277 20 10 CGCDRN COc1cc(NCc2ccc(N)cc2)nc2ccccc21 ZINC001162785464 806665668 /nfs/dbraw/zinc/66/56/68/806665668.db2.gz FHPWJAOQQBZHAO-UHFFFAOYSA-N 0 0 279.343 3.438 20 10 CGCDRN Nc1ccc(CNc2ccc(-c3ccccc3F)nn2)cc1 ZINC001162787870 806665807 /nfs/dbraw/zinc/66/58/07/806665807.db2.gz SVJOMYDRFNAYRX-UHFFFAOYSA-N 0 0 294.333 3.477 20 10 CGCDRN Nc1ccc(CNc2cncc(OCC3CCCC3)n2)cc1 ZINC001162789829 806667275 /nfs/dbraw/zinc/66/72/75/806667275.db2.gz MOCJXGJKXZVFQX-UHFFFAOYSA-N 0 0 298.390 3.240 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000042869686 798889507 /nfs/dbraw/zinc/88/95/07/798889507.db2.gz LNGMIECVSOHXPH-NEPJUHHUSA-N 0 0 261.369 3.217 20 10 CGCDRN Oc1c(F)cccc1CNc1ccc(Cl)cn1 ZINC000083393903 798939450 /nfs/dbraw/zinc/93/94/50/798939450.db2.gz JGLFUUXFZCMDDU-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000161296742 799079244 /nfs/dbraw/zinc/07/92/44/799079244.db2.gz RMSZWHDIHKMYFU-VHSXEESVSA-N 0 0 284.197 3.385 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CC2CCC1CC2 ZINC000381561220 799381661 /nfs/dbraw/zinc/38/16/61/799381661.db2.gz WMHLLBZULCIWDK-NPZBDFSRSA-N 0 0 289.375 3.042 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](CC)CO1 ZINC000403891382 799572047 /nfs/dbraw/zinc/57/20/47/799572047.db2.gz WZFOLKDVBCXFAO-QWHCGFSZSA-N 0 0 283.799 3.435 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc(F)cc1[O-] ZINC000694009347 799818931 /nfs/dbraw/zinc/81/89/31/799818931.db2.gz ZHUHAIGKOSOHEY-NWDGAFQWSA-N 0 0 274.339 3.208 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CC23CCCC3)ccc(F)c1F ZINC000703260506 799921905 /nfs/dbraw/zinc/92/19/05/799921905.db2.gz ZVVWBYCJAJLJKH-LLVKDONJSA-N 0 0 253.292 3.093 20 10 CGCDRN C[C@H](CCc1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703327920 799922718 /nfs/dbraw/zinc/92/27/18/799922718.db2.gz KNSZDMYVSCYPSC-SNVBAGLBSA-N 0 0 281.302 3.374 20 10 CGCDRN CC(C)CSCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417133 799924779 /nfs/dbraw/zinc/92/47/79/799924779.db2.gz IZQUVUBNRXJTIC-UHFFFAOYSA-N 0 0 275.364 3.149 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CCCC23CC3)ccc(F)c1F ZINC000703394184 799924877 /nfs/dbraw/zinc/92/48/77/799924877.db2.gz HWEKIIGPSXIANP-LLVKDONJSA-N 0 0 267.319 3.340 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000708420280 799989132 /nfs/dbraw/zinc/98/91/32/799989132.db2.gz HUVAFDJDDHVNQO-NSHDSACASA-N 0 0 275.298 3.100 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCC1CCC1 ZINC000708556454 799991778 /nfs/dbraw/zinc/99/17/78/799991778.db2.gz VZRJOHJHGNRWCK-UHFFFAOYSA-N 0 0 255.308 3.340 20 10 CGCDRN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CC(C)(C)C1 ZINC000709391725 800008458 /nfs/dbraw/zinc/00/84/58/800008458.db2.gz IHRNXBHSTNNPGD-MNOVXSKESA-N 0 0 277.364 3.042 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C12CCC2 ZINC000713482999 800110811 /nfs/dbraw/zinc/11/08/11/800110811.db2.gz XCZSZNSUOGLTCC-VCTAVGKDSA-N 0 0 279.355 3.140 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716533404 800174937 /nfs/dbraw/zinc/17/49/37/800174937.db2.gz OYRKKYXUFAVDNT-CYBMUJFWSA-N 0 0 295.810 3.485 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC=CCCC1 ZINC000719088512 800231257 /nfs/dbraw/zinc/23/12/57/800231257.db2.gz DTJUBRIRYNCTKD-CQSZACIVSA-N 0 0 273.376 3.487 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000724662719 800364708 /nfs/dbraw/zinc/36/47/08/800364708.db2.gz IRWFDGOFGFSTFD-IAZYJMLFSA-N 0 0 269.772 3.091 20 10 CGCDRN CC(C)C[C@]1(C)CCCN1C(=O)C1=CC(=O)CS1 ZINC001118765313 802599660 /nfs/dbraw/zinc/59/96/60/802599660.db2.gz YYWBNHYYALKJHI-AWEZNQCLSA-N 0 0 267.394 3.495 20 10 CGCDRN Cc1ccc(O)c(CNc2cc(C(C)C)ncn2)c1 ZINC001118811372 802606508 /nfs/dbraw/zinc/60/65/08/802606508.db2.gz WAPDGBYSTPJLJL-UHFFFAOYSA-N 0 0 257.337 3.226 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCCC23CCCCC3)cc1 ZINC001120592418 802751150 /nfs/dbraw/zinc/75/11/50/802751150.db2.gz WOADCTAFIUTQPC-UHFFFAOYSA-N 0 0 287.407 3.277 20 10 CGCDRN CCCc1ccc(C(=O)NCc2cccc(O)c2O)s1 ZINC001123887824 802979258 /nfs/dbraw/zinc/97/92/58/802979258.db2.gz CUELNNZLZUAPKN-UHFFFAOYSA-N 0 0 291.372 3.042 20 10 CGCDRN CO[C@@H]1CC=C(c2ccc(N3CCOCC3)cc2F)CC1 ZINC001243804412 803020476 /nfs/dbraw/zinc/02/04/76/803020476.db2.gz CIQIJIBKJDUEMA-OAHLLOKOSA-N 0 0 291.366 3.245 20 10 CGCDRN CCOc1ncc(C)cc1NCc1cc(F)c(F)cc1O ZINC001205999585 813159778 /nfs/dbraw/zinc/15/97/78/813159778.db2.gz ZZXJLBCVZFOQRA-UHFFFAOYSA-N 0 0 294.301 3.385 20 10 CGCDRN CC(C)c1ccc(N)c(-c2ccc3ncc(=O)n(C)c3c2)c1 ZINC001244222691 803247729 /nfs/dbraw/zinc/24/77/29/803247729.db2.gz PSOFPHFRMLKGNM-UHFFFAOYSA-N 0 0 293.370 3.306 20 10 CGCDRN COCCn1ccc2c1ncnc2-c1cnccc1C1CC1 ZINC001244278060 803274667 /nfs/dbraw/zinc/27/46/67/803274667.db2.gz XVDASCUSXPQCMB-UHFFFAOYSA-N 0 0 294.358 3.017 20 10 CGCDRN Cc1cc(C)cc(N(C)C(=O)C2=CC(=O)CS2)c1 ZINC001136340701 803640813 /nfs/dbraw/zinc/64/08/13/803640813.db2.gz AQWHTVJIXLVSOW-UHFFFAOYSA-N 0 0 261.346 3.347 20 10 CGCDRN Cn1c2ccccc2c(-c2cccc(Cl)c2N)cc1=O ZINC001245182897 803659446 /nfs/dbraw/zinc/65/94/46/803659446.db2.gz YGKMIYOZQVFSCC-UHFFFAOYSA-N 0 0 284.746 3.441 20 10 CGCDRN Oc1cccc2c1CN(Cc1ccc(Cl)nc1F)CC2 ZINC001137477971 803736870 /nfs/dbraw/zinc/73/68/70/803736870.db2.gz PFXXCXYUCCFJCK-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001137832686 803776967 /nfs/dbraw/zinc/77/69/67/803776967.db2.gz DIWNPWIVJPBXHM-GFCCVEGCSA-N 0 0 295.251 3.255 20 10 CGCDRN Oc1cccc(F)c1CN1CCC[C@H](F)C(F)(F)C1 ZINC001137831551 803778652 /nfs/dbraw/zinc/77/86/52/803778652.db2.gz DOZOITXKPJECTJ-LBPRGKRZSA-N 0 0 277.261 3.101 20 10 CGCDRN CC(C)C1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137838796 803779184 /nfs/dbraw/zinc/77/91/84/803779184.db2.gz KSVUHBPKROIXJI-UHFFFAOYSA-N 0 0 251.345 3.399 20 10 CGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC001137839989 803779245 /nfs/dbraw/zinc/77/92/45/803779245.db2.gz OPSCBNXOXCKOHA-UHFFFAOYSA-N 0 0 286.350 3.306 20 10 CGCDRN COc1ccc(CC[N@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137838798 803780778 /nfs/dbraw/zinc/78/07/78/803780778.db2.gz KTABQCGRGUOWEP-UHFFFAOYSA-N 0 0 289.350 3.214 20 10 CGCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)NCCO2 ZINC001245549862 803806810 /nfs/dbraw/zinc/80/68/10/803806810.db2.gz RJVBKVYWRJFEKL-UHFFFAOYSA-N 0 0 265.316 3.045 20 10 CGCDRN Cc1cc2c(cccc2-c2cnc3c(c2)NCCO3)n1C ZINC001245553618 803810941 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/nfs/dbraw/zinc/09/39/07/963093907.db2.gz YTYOBFXVVGEXBE-KTKRTIGZSA-N 0 0 281.359 3.160 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC001587004095 963164791 /nfs/dbraw/zinc/16/47/91/963164791.db2.gz IYZNMRBYMBBLBY-UHFFFAOYSA-N 0 0 294.314 3.052 20 10 CGCDRN C[C@@H]1Cc2ccccc2N1C(=O)C1=CC(=O)CS1 ZINC001587843785 963222257 /nfs/dbraw/zinc/22/22/57/963222257.db2.gz SMOBRQHZYITSJN-SECBINFHSA-N 0 0 259.330 3.045 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1cc2cnccc2o1 ZINC001588153394 963252414 /nfs/dbraw/zinc/25/24/14/963252414.db2.gz FHIFDJOAWXXQOF-MRVPVSSYSA-N 0 0 288.328 3.086 20 10 CGCDRN CC[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(C)cc1O ZINC001589568109 964001039 /nfs/dbraw/zinc/00/10/39/964001039.db2.gz KCVLBANWAPSRFC-PIMMBPRGSA-N 0 0 291.391 3.385 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593203448 994186944 /nfs/dbraw/zinc/18/69/44/994186944.db2.gz DSQMIAXGLQFCDH-QLJPJBMISA-N 0 0 289.375 3.320 20 10 CGCDRN C[C@@H]([NH2+]C1CCCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593225241 994345621 /nfs/dbraw/zinc/34/56/21/994345621.db2.gz UKACFSHJIWHOBM-LLVKDONJSA-N 0 0 277.364 3.464 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCCS1)c1cc(C(=O)[O-])ccc1O ZINC001593257759 994535589 /nfs/dbraw/zinc/53/55/89/994535589.db2.gz SWWAOCCCNCCWIP-CMPLNLGQSA-N 0 0 295.404 3.027 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(F)(F)F ZINC000042720437 344987306 /nfs/dbraw/zinc/98/73/06/344987306.db2.gz CNJOGPKSPAESCX-UHFFFAOYSA-N 0 0 288.313 3.054 20 10 CGCDRN C[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000043046147 344993958 /nfs/dbraw/zinc/99/39/58/344993958.db2.gz ZCFIOKYXZFWKPH-TZMCWYRMSA-N 0 0 276.380 3.112 20 10 CGCDRN COc1cccc(CNc2ccc(OC(F)F)cn2)c1O ZINC000091479200 345815621 /nfs/dbraw/zinc/81/56/21/345815621.db2.gz TWFZCIAGURSQGX-UHFFFAOYSA-N 0 0 296.273 3.009 20 10 CGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCCO1 ZINC000124569960 370926093 /nfs/dbraw/zinc/92/60/93/370926093.db2.gz WQOPDHNLOCMPBL-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187725157 296131667 /nfs/dbraw/zinc/13/16/67/296131667.db2.gz AXNRYBSWRURRMX-NXEZZACHSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc2S1 ZINC000493127786 244104680 /nfs/dbraw/zinc/10/46/80/244104680.db2.gz ZVWDGKDHPNRUNN-SYTKJHMZSA-N 0 0 299.399 3.340 20 10 CGCDRN CCC(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411501 369219580 /nfs/dbraw/zinc/21/95/80/369219580.db2.gz QLSDPWWUTVDFFO-UHFFFAOYSA-N 0 0 272.186 3.433 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]C1CCCC1 ZINC000042411513 369219959 /nfs/dbraw/zinc/21/99/59/369219959.db2.gz AMKWBIMNRHHDGT-UHFFFAOYSA-N 0 0 270.170 3.187 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(F)cc1[O-] ZINC000287539974 371670693 /nfs/dbraw/zinc/67/06/93/371670693.db2.gz PGARZQIIXWSGDD-UKRRQHHQSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1ccnc(C)c1NC(=O)N(C)Cc1ccccc1O ZINC000287455791 371658876 /nfs/dbraw/zinc/65/88/76/371658876.db2.gz IJRXKNUYZDQQNZ-UHFFFAOYSA-N 0 0 285.347 3.068 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc(Cl)c1[O-] ZINC000287710204 371697311 /nfs/dbraw/zinc/69/73/11/371697311.db2.gz OBEKTGQKYUOWSS-SMDDNHRTSA-N 0 0 293.798 3.372 20 10 CGCDRN OC[C@@H]1CN(Cc2c(O)cccc2Cl)c2ccccc21 ZINC000293888831 372512192 /nfs/dbraw/zinc/51/21/92/372512192.db2.gz KFVSUABODOYYSI-NSHDSACASA-N 0 0 289.762 3.142 20 10 CGCDRN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2c(C)cc(C)cc2O)[nH]n1 ZINC000294678348 372666463 /nfs/dbraw/zinc/66/64/63/372666463.db2.gz HZLRMWRQXIBUPX-GXTWGEPZSA-N 0 0 287.407 3.322 20 10 CGCDRN CN(C)c1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)cc1 ZINC000294923842 372680656 /nfs/dbraw/zinc/68/06/56/372680656.db2.gz YYESPRIAJGHCTA-INIZCTEOSA-N 0 0 298.434 3.069 20 10 CGCDRN COc1ccc(N(C)CC2CC(F)(F)C2)c(OC)c1 ZINC000294983312 372682127 /nfs/dbraw/zinc/68/21/27/372682127.db2.gz PKOIHTIMCJOEBR-UHFFFAOYSA-N 0 0 271.307 3.185 20 10 CGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCSC1 ZINC000295424473 372775961 /nfs/dbraw/zinc/77/59/61/372775961.db2.gz SMWNLTYLXZGYEX-SECBINFHSA-N 0 0 275.776 3.122 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)CSC)cc1 ZINC000171813228 372832384 /nfs/dbraw/zinc/83/23/84/372832384.db2.gz SEDOEFADRFEVCG-CYBMUJFWSA-N 0 0 294.464 3.148 20 10 CGCDRN CCOC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1O ZINC000171937103 372860492 /nfs/dbraw/zinc/86/04/92/372860492.db2.gz UUBMSOLLRSBGBP-KRWDZBQOSA-N 0 0 299.370 3.128 20 10 CGCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CCCC1 ZINC000172230809 372929588 /nfs/dbraw/zinc/92/95/88/372929588.db2.gz YPHINAUNDGMBCG-GFCCVEGCSA-N 0 0 276.380 3.112 20 10 CGCDRN O=C(CSc1nccs1)Nc1ccc2c(c1)CCC2 ZINC000298522575 373346330 /nfs/dbraw/zinc/34/63/30/373346330.db2.gz VBMGVVLIJNOFBO-UHFFFAOYSA-N 0 0 290.413 3.363 20 10 CGCDRN CC(C)N(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000176301314 373579095 /nfs/dbraw/zinc/57/90/95/373579095.db2.gz GLMNKUWYKRZNFP-UHFFFAOYSA-N 0 0 299.418 3.145 20 10 CGCDRN CCc1ncnc(NCCCSc2nccs2)c1F ZINC000301963788 373815698 /nfs/dbraw/zinc/81/56/98/373815698.db2.gz JICLABWSJSFMNA-UHFFFAOYSA-N 0 0 298.412 3.229 20 10 CGCDRN CC(=O)c1c(F)cccc1N(C)Cc1ccccc1O ZINC000302599583 373903571 /nfs/dbraw/zinc/90/35/71/373903571.db2.gz BXTBDHOTXAUDTG-UHFFFAOYSA-N 0 0 273.307 3.370 20 10 CGCDRN CCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180622738 374028894 /nfs/dbraw/zinc/02/88/94/374028894.db2.gz RHILRNYOLZZSIK-GFCCVEGCSA-N 0 0 283.799 3.212 20 10 CGCDRN CCCCC[C@H](CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000182528339 374287826 /nfs/dbraw/zinc/28/78/26/374287826.db2.gz DKAYPTHQZBKOBW-ZDUSSCGKSA-N 0 0 279.380 3.321 20 10 CGCDRN CC1(CC(=O)NCc2ccc(O)c(O)c2)CCCCC1 ZINC000182520271 374285793 /nfs/dbraw/zinc/28/57/93/374285793.db2.gz FMFYLRDRCIHXTQ-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN CC[C@@H](C)N(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472242317 375012727 /nfs/dbraw/zinc/01/27/27/375012727.db2.gz RDCPKYDRVYJYHR-GFCCVEGCSA-N 0 0 287.407 3.427 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H](C)C1 ZINC000472296258 375017997 /nfs/dbraw/zinc/01/79/97/375017997.db2.gz PEAGVRPZWVOKLS-ZDUSSCGKSA-N 0 0 299.418 3.428 20 10 CGCDRN CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187692271 375073614 /nfs/dbraw/zinc/07/36/14/375073614.db2.gz YYNRZNRDEQQGKP-MNOVXSKESA-N 0 0 286.366 3.051 20 10 CGCDRN CCN(Cc1cc(Cl)cc(OC)c1O)CC(F)(F)F ZINC000228629805 376444451 /nfs/dbraw/zinc/44/44/51/376444451.db2.gz SOWCLEPWLSSGHQ-UHFFFAOYSA-N 0 0 297.704 3.438 20 10 CGCDRN Cc1cc(C(=O)N2C[C@H](C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000267782118 378044692 /nfs/dbraw/zinc/04/46/92/378044692.db2.gz QKQWJIQBOFNWGG-STQMWFEESA-N 0 0 297.402 3.217 20 10 CGCDRN CCn1nccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271063790 378446161 /nfs/dbraw/zinc/44/61/61/378446161.db2.gz ZCFLVLFFGUKXHD-UHFFFAOYSA-N 0 0 298.434 3.134 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cscn1 ZINC000271106766 378454891 /nfs/dbraw/zinc/45/48/91/378454891.db2.gz GIYSGRASNSNYRW-LBPRGKRZSA-N 0 0 287.432 3.376 20 10 CGCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1cccc(C)c1O ZINC000271763894 378502448 /nfs/dbraw/zinc/50/24/48/378502448.db2.gz FHFAMAFVYNHWJV-INIZCTEOSA-N 0 0 299.370 3.047 20 10 CGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCC[C@H]1O ZINC000272646287 378682748 /nfs/dbraw/zinc/68/27/48/378682748.db2.gz PDOMDGDRHJLDLG-BXUZGUMPSA-N 0 0 283.799 3.029 20 10 CGCDRN CCOCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273391214 378743778 /nfs/dbraw/zinc/74/37/78/378743778.db2.gz KUBVAKRRPIJUNL-CQSZACIVSA-N 0 0 265.397 3.476 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000273530863 378752271 /nfs/dbraw/zinc/75/22/71/378752271.db2.gz WGVPTWIQTSGMPO-YPMHNXCESA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000273554522 378752374 /nfs/dbraw/zinc/75/23/74/378752374.db2.gz GRERCVNWDBXCIC-MLGOLLRUSA-N 0 0 289.350 3.306 20 10 CGCDRN CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000371419261 379162782 /nfs/dbraw/zinc/16/27/82/379162782.db2.gz KFGVKVRAGUBMSZ-OAHLLOKOSA-N 0 0 261.365 3.165 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000279003396 379408817 /nfs/dbraw/zinc/40/88/17/379408817.db2.gz GBSVWZJCTNQEAV-MRVPVSSYSA-N 0 0 273.348 3.217 20 10 CGCDRN CC1=C(c2ccco2)CN(C(=O)c2cccc(O)c2O)CC1 ZINC000374551101 379459550 /nfs/dbraw/zinc/45/95/50/379459550.db2.gz KVKHWFNXLDRDPW-UHFFFAOYSA-N 0 0 299.326 3.010 20 10 CGCDRN Cc1cccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000281268348 379825777 /nfs/dbraw/zinc/82/57/77/379825777.db2.gz NPTCDXNUNSPDKY-INIZCTEOSA-N 0 0 285.391 3.161 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccncc1 ZINC000282349935 379902403 /nfs/dbraw/zinc/90/24/03/379902403.db2.gz ANBZDJOSHHAPFL-UHFFFAOYSA-N 0 0 284.359 3.230 20 10 CGCDRN Cc1noc(C(C)(C)NCc2cc(Cl)cc(C)c2O)n1 ZINC000285318440 380148507 /nfs/dbraw/zinc/14/85/07/380148507.db2.gz WURSMFPGNSRFRV-UHFFFAOYSA-N 0 0 295.770 3.070 20 10 CGCDRN CC[C@@H]([NH2+]CC(O)(CC)CC)c1ccc(F)cc1[O-] ZINC000286148348 380164998 /nfs/dbraw/zinc/16/49/98/380164998.db2.gz PGVMKTYGTHTZEM-CYBMUJFWSA-N 0 0 269.360 3.123 20 10 CGCDRN CC[C@@H]([NH2+]C1CCSCC1)c1ccc(F)cc1[O-] ZINC000286334175 380196976 /nfs/dbraw/zinc/19/69/76/380196976.db2.gz XZWMPZMECNFMRC-CYBMUJFWSA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccnc1)c1ccc(F)cc1[O-] ZINC000285816005 380152457 /nfs/dbraw/zinc/15/24/57/380152457.db2.gz WCTXSZPBACCMNU-CQSZACIVSA-N 0 0 260.312 3.167 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)C(C)C)c1cccc(Cl)c1[O-] ZINC000287626831 392403080 /nfs/dbraw/zinc/40/30/80/392403080.db2.gz KCELZBJBGNRVRU-CHWSQXEVSA-N 0 0 271.788 3.103 20 10 CGCDRN CCN(CC)c1ccc(CNc2nc(C)ns2)cc1F ZINC000301406709 392590007 /nfs/dbraw/zinc/59/00/07/392590007.db2.gz VGOXFPIUVOSCMV-UHFFFAOYSA-N 0 0 294.399 3.444 20 10 CGCDRN CO[C@@H](C)c1nc(CN(C)Cc2ccccc2O)cs1 ZINC000177676228 392666190 /nfs/dbraw/zinc/66/61/90/392666190.db2.gz LLLOBXBVMXWJRK-NSHDSACASA-N 0 0 292.404 3.188 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1(C)CC1 ZINC000349461224 393148059 /nfs/dbraw/zinc/14/80/59/393148059.db2.gz HMDHGBOBRFKRAD-UHFFFAOYSA-N 0 0 285.391 3.086 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]CCCCCC(=O)[O-])cc1 ZINC000003026206 169850160 /nfs/dbraw/zinc/85/01/60/169850160.db2.gz DVBXXNCVUPFLPC-UHFFFAOYSA-N 0 0 292.423 3.267 20 10 CGCDRN CC(C)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000019280724 170771278 /nfs/dbraw/zinc/77/12/78/170771278.db2.gz QRKWWPWXXYVYFX-UHFFFAOYSA-N 0 0 282.387 3.249 20 10 CGCDRN COc1ccc(N[C@@H](C)c2ccc(C)cc2O)cn1 ZINC000020085278 170987640 /nfs/dbraw/zinc/98/76/40/170987640.db2.gz INZDEDYFMVSXFO-NSHDSACASA-N 0 0 258.321 3.277 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCCC1 ZINC000030990739 171628813 /nfs/dbraw/zinc/62/88/13/171628813.db2.gz FENSVWIDAFVVFA-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN CCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1ccc(N)cc1 ZINC000161685819 261256620 /nfs/dbraw/zinc/25/66/20/261256620.db2.gz PMIHYVLPPBTSNJ-BBRMVZONSA-N 0 0 274.408 3.239 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CC=CCC2)c(C)n1-c1ccccn1 ZINC000172394712 261499855 /nfs/dbraw/zinc/49/98/55/261499855.db2.gz IQGMACJIYIPHRD-OAHLLOKOSA-N 0 0 295.386 3.328 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C(C)C)o2)cc1C ZINC000181625566 261905373 /nfs/dbraw/zinc/90/53/73/261905373.db2.gz ICAOQZQKVLJELO-UHFFFAOYSA-N 0 0 261.325 3.128 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)ccc1O ZINC000185608633 262061775 /nfs/dbraw/zinc/06/17/75/262061775.db2.gz FQFGQLXYFDXRLJ-JTQLQIEISA-N 0 0 271.788 3.105 20 10 CGCDRN C[C@H]([NH2+]CCCc1ccccn1)c1ccc(F)cc1[O-] ZINC000186140642 262081165 /nfs/dbraw/zinc/08/11/65/262081165.db2.gz BHDAHCMDUXISLF-LBPRGKRZSA-N 0 0 274.339 3.210 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cnn(CC(F)F)c2)c1 ZINC000186341600 262089798 /nfs/dbraw/zinc/08/97/98/262089798.db2.gz ZGEKTKQNWNFINV-VIFPVBQESA-N 0 0 297.305 3.036 20 10 CGCDRN Cc1cccc(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186400660 262091499 /nfs/dbraw/zinc/09/14/99/262091499.db2.gz GPKQEZKLOXQVSR-ZDUSSCGKSA-N 0 0 299.370 3.076 20 10 CGCDRN CCCC(CCC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186426484 262092596 /nfs/dbraw/zinc/09/25/96/262092596.db2.gz OGOLARXVVWPIJO-GFCCVEGCSA-N 0 0 293.407 3.361 20 10 CGCDRN C[C@@H]([NH2+]CCOCc1ccccc1)c1ccc(F)cc1[O-] ZINC000185633099 262306425 /nfs/dbraw/zinc/30/64/25/262306425.db2.gz DGONKZHQYXRDKI-CYBMUJFWSA-N 0 0 289.350 3.399 20 10 CGCDRN Cc1c(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)cnn1C ZINC000186188159 262312155 /nfs/dbraw/zinc/31/21/55/262312155.db2.gz JEUPZGWMAVWWSS-LBPRGKRZSA-N 0 0 295.386 3.438 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)c(O)c1 ZINC000186143695 262312221 /nfs/dbraw/zinc/31/22/21/262312221.db2.gz HQUFMQCOHNJACF-STQMWFEESA-N 0 0 265.397 3.148 20 10 CGCDRN COc1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000060029182 262391090 /nfs/dbraw/zinc/39/10/90/262391090.db2.gz FLUCHNPWMOHOHM-LBPRGKRZSA-N 0 0 287.359 3.260 20 10 CGCDRN Oc1cc2c(cc1C[N@@H+]1CCC=C(c3ccco3)C1)OCO2 ZINC000285144505 263090446 /nfs/dbraw/zinc/09/04/46/263090446.db2.gz QZVMFWHTMCWZFN-UHFFFAOYSA-N 0 0 299.326 3.003 20 10 CGCDRN CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000287853556 263102848 /nfs/dbraw/zinc/10/28/48/263102848.db2.gz CQYFLDLBHLFZRO-UHFFFAOYSA-N 0 0 287.403 3.323 20 10 CGCDRN Cc1cc(O)c(CN2CCOC[C@@H]2c2ccco2)cc1C ZINC000369773674 267264969 /nfs/dbraw/zinc/26/49/69/267264969.db2.gz QFZNHPBCAHAFIR-OAHLLOKOSA-N 0 0 287.359 3.176 20 10 CGCDRN CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271805864 328197446 /nfs/dbraw/zinc/19/74/46/328197446.db2.gz JVRIFIPDWZUSPL-TZMCWYRMSA-N 0 0 283.799 3.339 20 10 CGCDRN CCC[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285986978 328248746 /nfs/dbraw/zinc/24/87/46/328248746.db2.gz HXFILXQVDILEAX-ZFWWWQNUSA-N 0 0 269.360 3.123 20 10 CGCDRN c1csc(Sc2ncnc3sccc32)n1 ZINC000048894108 328457174 /nfs/dbraw/zinc/45/71/74/328457174.db2.gz GDQZVHUNXJCTHK-UHFFFAOYSA-N 0 0 251.361 3.299 20 10 CGCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccccc1C ZINC000255621889 326999823 /nfs/dbraw/zinc/99/98/23/326999823.db2.gz HTFUGAYFKDRQMC-KHPPLWFESA-N 0 0 266.344 3.456 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000168815053 329059609 /nfs/dbraw/zinc/05/96/09/329059609.db2.gz VMELXQSZPSXNJP-MWLCHTKSSA-N 0 0 255.358 3.078 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC(c2ccccc2)CC1 ZINC000186863299 329350847 /nfs/dbraw/zinc/35/08/47/329350847.db2.gz FHJKEUZCBOSQOB-UHFFFAOYSA-N 0 0 297.354 3.118 20 10 CGCDRN Cc1noc(CCCOc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000421183866 329806880 /nfs/dbraw/zinc/80/68/80/329806880.db2.gz BFLDUZQVJFWSRX-UHFFFAOYSA-N 0 0 299.374 3.498 20 10 CGCDRN CC/C=C\CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000454879884 331155525 /nfs/dbraw/zinc/15/55/25/331155525.db2.gz VXPQXMSKCRRGHR-YVMONPNESA-N 0 0 285.391 3.252 20 10 CGCDRN COc1ccccc1[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000164933828 331305506 /nfs/dbraw/zinc/30/55/06/331305506.db2.gz FRDZBSFSLKQREI-NSHDSACASA-N 0 0 275.323 3.391 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC1(C)C ZINC000472231573 331532436 /nfs/dbraw/zinc/53/24/36/331532436.db2.gz SUTFWDRHHXGCHM-INIZCTEOSA-N 0 0 299.418 3.427 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCCc3cccc(O)c32)cn1 ZINC000492345758 332393522 /nfs/dbraw/zinc/39/35/22/332393522.db2.gz YLYUVPQJBOWWAE-MDZDMXLPSA-N 0 0 294.354 3.088 20 10 CGCDRN CO[C@@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000263827360 334674721 /nfs/dbraw/zinc/67/47/21/334674721.db2.gz TUHWRWFJXPSLKX-QMMMGPOBSA-N 0 0 278.179 3.214 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(CF)CCC1 ZINC000581608744 336111732 /nfs/dbraw/zinc/11/17/32/336111732.db2.gz DXSMXGHXCIUCNF-UHFFFAOYSA-N 0 0 288.366 3.243 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC(C)C1 ZINC000268007941 500686124 /nfs/dbraw/zinc/68/61/24/500686124.db2.gz JICPZUVDOWQJOH-UHFFFAOYSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(C)[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278375227 519795914 /nfs/dbraw/zinc/79/59/14/519795914.db2.gz COYIAJFURWHYNW-PRHODGIISA-N 0 0 292.206 3.367 20 10 CGCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000037027500 519803256 /nfs/dbraw/zinc/80/32/56/519803256.db2.gz AIXYWDMRTYVRAV-XOKHGSTOSA-N 0 0 288.435 3.388 20 10 CGCDRN CC(C)n1cc(NCc2cc(Cl)ccc2O)cn1 ZINC000061682663 519966102 /nfs/dbraw/zinc/96/61/02/519966102.db2.gz RGEPSARBIDEKON-UHFFFAOYSA-N 0 0 265.744 3.435 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2CC=CC2)cc1 ZINC000077737700 520895160 /nfs/dbraw/zinc/89/51/60/520895160.db2.gz QTAXTHQHXPBWED-UHFFFAOYSA-N 0 0 272.392 3.115 20 10 CGCDRN CCCC[C@@H](CC)CNC(=O)Cc1ccc(N)cc1 ZINC000040806382 521031091 /nfs/dbraw/zinc/03/10/91/521031091.db2.gz KXNXRSCDZXZXGA-CYBMUJFWSA-N 0 0 262.397 3.144 20 10 CGCDRN CCCN(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000036195456 521685559 /nfs/dbraw/zinc/68/55/59/521685559.db2.gz MZDUIACOLIZRJS-UHFFFAOYSA-N 0 0 282.387 3.250 20 10 CGCDRN CCC1(CC)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126402000 521686630 /nfs/dbraw/zinc/68/66/30/521686630.db2.gz HLISFISXOCPKQP-UHFFFAOYSA-N 0 0 277.364 3.140 20 10 CGCDRN CC[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(C)cc1 ZINC000037028269 522401482 /nfs/dbraw/zinc/40/14/82/522401482.db2.gz PJJZTXIPXGNAQF-KRWDZBQOSA-N 0 0 282.387 3.387 20 10 CGCDRN CCc1nocc1CN(C)Cc1c(O)cccc1Cl ZINC000293541938 522931967 /nfs/dbraw/zinc/93/19/67/522931967.db2.gz CXBHXPFLDWRUED-UHFFFAOYSA-N 0 0 280.755 3.228 20 10 CGCDRN C[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278652496 524207363 /nfs/dbraw/zinc/20/73/63/524207363.db2.gz IFJLSGPHFRURAY-RKDXNWHRSA-N 0 0 292.206 3.368 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)CSc2nccs2)[C@@H]1C ZINC000047249640 524306293 /nfs/dbraw/zinc/30/62/93/524306293.db2.gz MTGKSUZYTHKYON-GMTAPVOTSA-N 0 0 284.450 3.176 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062748548 524592907 /nfs/dbraw/zinc/59/29/07/524592907.db2.gz YQELBXSHUZRBLU-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN Cc1cc(Cn2ccnc2C(C)C)ccc1N(C)C ZINC000292536223 524922339 /nfs/dbraw/zinc/92/23/39/524922339.db2.gz ATAZFRWVOBDBCW-UHFFFAOYSA-N 0 0 257.381 3.429 20 10 CGCDRN C[C@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1[O-] ZINC000062748197 525370218 /nfs/dbraw/zinc/37/02/18/525370218.db2.gz YMFDJENFZIIXEW-JTQLQIEISA-N 0 0 265.353 3.486 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(F)c(F)c1[O-] ZINC000279681191 525392522 /nfs/dbraw/zinc/39/25/22/525392522.db2.gz AAULYPAXESXMQY-IUCAKERBSA-N 0 0 273.348 3.074 20 10 CGCDRN Cc1cc[nH]c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000280484365 525703808 /nfs/dbraw/zinc/70/38/08/525703808.db2.gz AWSSUCUFWMJRAY-UHFFFAOYSA-N 0 0 297.402 3.194 20 10 CGCDRN Cc1ccc([C@H](C)CNC(=O)NCc2ccccc2O)cc1 ZINC000265728013 525877676 /nfs/dbraw/zinc/87/76/76/525877676.db2.gz JNSINUPZEDTJPE-CQSZACIVSA-N 0 0 298.386 3.304 20 10 CGCDRN COc1cccc(CNC(=O)CCCc2ccccc2)c1O ZINC000068489086 525965621 /nfs/dbraw/zinc/96/56/21/525965621.db2.gz QMYZWCWCPPDPOB-UHFFFAOYSA-N 0 0 299.370 3.040 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000064660429 526006282 /nfs/dbraw/zinc/00/62/82/526006282.db2.gz BQLBIMHYSWUSRL-GMTAPVOTSA-N 0 0 284.450 3.128 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000278396801 526326160 /nfs/dbraw/zinc/32/61/60/526326160.db2.gz NNJRQYHIIGLTMQ-AWEZNQCLSA-N 0 0 294.826 3.152 20 10 CGCDRN Oc1ccccc1CNc1ccc(N2CCCCC2)nc1 ZINC000036988594 526373743 /nfs/dbraw/zinc/37/37/43/526373743.db2.gz QGCHOKYUOMRBOZ-UHFFFAOYSA-N 0 0 283.375 3.390 20 10 CGCDRN Cc1noc([C@H]2CCCCN2Cc2cc(C)ccc2O)n1 ZINC000289649788 526666829 /nfs/dbraw/zinc/66/68/29/526666829.db2.gz CBSABNYZFBACSL-CQSZACIVSA-N 0 0 287.363 3.119 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1=CCCCC1 ZINC000187365945 526681265 /nfs/dbraw/zinc/68/12/65/526681265.db2.gz BEXWVUBEHLJGDU-UHFFFAOYSA-N 0 0 284.403 3.403 20 10 CGCDRN COc1ccc(N(C)Cc2cccnc2Cl)cc1OC ZINC000726970248 571694337 /nfs/dbraw/zinc/69/43/37/571694337.db2.gz KUPJRLBNMQMYLJ-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN Cc1cc(C(=O)OC[C@@H]2C[C@H]2C)c(C)n1-c1ccccn1 ZINC000729088653 571872566 /nfs/dbraw/zinc/87/25/66/571872566.db2.gz BUWSPGZHLNBYPK-RISCZKNCSA-N 0 0 284.359 3.302 20 10 CGCDRN CC[C@@H](Nc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000729857755 571934504 /nfs/dbraw/zinc/93/45/04/571934504.db2.gz FQKJUHUFSTWWGC-MRXNPFEDSA-N 0 0 298.386 3.241 20 10 CGCDRN CCc1cc(CN2CC(OC)C2)c(O)c(C(C)(C)C)c1 ZINC000738226543 572367927 /nfs/dbraw/zinc/36/79/27/572367927.db2.gz YMUSNRDQURJFQR-UHFFFAOYSA-N 0 0 277.408 3.083 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1CC1 ZINC000731278726 572405769 /nfs/dbraw/zinc/40/57/69/572405769.db2.gz NHSYVAKYBVMWNU-GFCCVEGCSA-N 0 0 276.380 3.112 20 10 CGCDRN CC(C)Oc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871504 572431097 /nfs/dbraw/zinc/43/10/97/572431097.db2.gz GNZADNPRHCFUPB-UHFFFAOYSA-N 0 0 277.345 3.493 20 10 CGCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000732267769 572455927 /nfs/dbraw/zinc/45/59/27/572455927.db2.gz VHELCHXJFWGSRU-ONGXEEELSA-N 0 0 253.367 3.104 20 10 CGCDRN C[C@@H](Cc1ccccc1Cl)NC(=O)C1=CC(=O)CS1 ZINC000732270148 572456210 /nfs/dbraw/zinc/45/62/10/572456210.db2.gz KMDXCCJJTVIXMV-VIFPVBQESA-N 0 0 295.791 3.468 20 10 CGCDRN CCC1CCC(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000732274923 572456631 /nfs/dbraw/zinc/45/66/31/572456631.db2.gz CWZKPCYOJYCHFA-UHFFFAOYSA-N 0 0 267.394 3.400 20 10 CGCDRN Cc1cc(C)c(CCNC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732274835 572457241 /nfs/dbraw/zinc/45/72/41/572457241.db2.gz ULZCHWFMTPNVMY-UHFFFAOYSA-N 0 0 289.400 3.351 20 10 CGCDRN CCc1ccc(C(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000732353030 572461240 /nfs/dbraw/zinc/46/12/40/572461240.db2.gz KMOCEUGJKWRKLU-UHFFFAOYSA-N 0 0 290.340 3.056 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000741664185 572517382 /nfs/dbraw/zinc/51/73/82/572517382.db2.gz AGYHGMRFJYTPEY-CYBMUJFWSA-N 0 0 286.375 3.108 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CCNC(=O)C1=CC(=O)CS1 ZINC000734017719 572624640 /nfs/dbraw/zinc/62/46/40/572624640.db2.gz PFQPBEBEIOHSEO-MNOVXSKESA-N 0 0 267.394 3.400 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\C(C)(C)C ZINC000734405802 572652316 /nfs/dbraw/zinc/65/23/16/572652316.db2.gz KZKWRRNUITYBDL-KTKRTIGZSA-N 0 0 274.408 3.280 20 10 CGCDRN O=C(CCC1CC1)NCc1ccc(N2CCCCC2)cc1 ZINC000734430340 572656454 /nfs/dbraw/zinc/65/64/54/572656454.db2.gz ZTHRDFDCWJTSMG-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN CCC/C=C/C(=O)NCc1ccc(N(C)C)cc1C ZINC000734468112 572660096 /nfs/dbraw/zinc/66/00/96/572660096.db2.gz MJCWXFDAPJHHCF-BQYQJAHWSA-N 0 0 260.381 3.034 20 10 CGCDRN C[C@@H]1CCC[C@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000743603569 572673395 /nfs/dbraw/zinc/67/33/95/572673395.db2.gz DMXWJKJIYXSPMW-VHSXEESVSA-N 0 0 253.367 3.104 20 10 CGCDRN CCC(CC)c1cc(CNC(=O)C2=CC(=O)CS2)on1 ZINC000743685424 572678690 /nfs/dbraw/zinc/67/86/90/572678690.db2.gz ATIAOSLSYLPALV-UHFFFAOYSA-N 0 0 294.376 3.275 20 10 CGCDRN Cc1cc(C(=O)OCC2CCC2)c(C)n1-c1ccccn1 ZINC000744196369 572721082 /nfs/dbraw/zinc/72/10/82/572721082.db2.gz GUWSIZPNWZLGLT-UHFFFAOYSA-N 0 0 284.359 3.446 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCC1(C)COC1 ZINC000735795836 572742311 /nfs/dbraw/zinc/74/23/11/572742311.db2.gz VLEMIRNUJQMNAA-UHFFFAOYSA-N 0 0 274.389 3.216 20 10 CGCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736754843 572808994 /nfs/dbraw/zinc/80/89/94/572808994.db2.gz GZBZQYHKOOUEGD-VXGBXAGGSA-N 0 0 299.370 3.474 20 10 CGCDRN CCN(CC)C(=O)CN(CC(C)C)c1ccc(OC)cc1 ZINC000746171140 572858450 /nfs/dbraw/zinc/85/84/50/572858450.db2.gz QQBMOOANLFMNRS-UHFFFAOYSA-N 0 0 292.423 3.026 20 10 CGCDRN CCc1ncsc1NC(=O)N(C)Cc1ccccc1O ZINC000747375141 572927440 /nfs/dbraw/zinc/92/74/40/572927440.db2.gz LOHJIBVLEIVQHT-UHFFFAOYSA-N 0 0 291.376 3.075 20 10 CGCDRN C[C@H](NC(=S)NCc1ccccc1O)c1ccccc1 ZINC000748158303 572963891 /nfs/dbraw/zinc/96/38/91/572963891.db2.gz PXCQOANDOXQEOZ-LBPRGKRZSA-N 0 0 286.400 3.118 20 10 CGCDRN Cc1ccc(F)c(NC(=O)NCc2ccccc2O)c1 ZINC000748438565 572976716 /nfs/dbraw/zinc/97/67/16/572976716.db2.gz KYFOIRXOODZWIT-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN CCOc1ccc(N(CC)C/C=C(/C)C(=O)OC)cc1 ZINC000748815363 572985148 /nfs/dbraw/zinc/98/51/48/572985148.db2.gz LZRSMXLMNJPZMO-QBFSEMIESA-N 0 0 277.364 3.031 20 10 CGCDRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000748857455 572986844 /nfs/dbraw/zinc/98/68/44/572986844.db2.gz ASBPOQKEAQGDCX-MWLCHTKSSA-N 0 0 267.394 3.398 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000749334448 572992274 /nfs/dbraw/zinc/99/22/74/572992274.db2.gz GHIKPKORYBAYAZ-CYBMUJFWSA-N 0 0 274.408 3.195 20 10 CGCDRN CCC[C@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890758042 617814569 /nfs/dbraw/zinc/81/45/69/617814569.db2.gz QLZNJKIVZCGHSJ-JTQLQIEISA-N 0 0 269.772 3.488 20 10 CGCDRN CSCCCCCCNC(=O)Nc1ccc(N)cc1 ZINC000235074328 617760815 /nfs/dbraw/zinc/76/08/15/617760815.db2.gz KZCAROQXVWHMDZ-UHFFFAOYSA-N 0 0 281.425 3.314 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)COC)c1cccc(Cl)c1[O-] ZINC000806125740 617788054 /nfs/dbraw/zinc/78/80/54/617788054.db2.gz FHGOOFDJZNCOLG-SKDRFNHKSA-N 0 0 257.761 3.121 20 10 CGCDRN CC(C)c1cc(C(=O)NCc2cccc(Cl)c2O)on1 ZINC000890759417 617815720 /nfs/dbraw/zinc/81/57/20/617815720.db2.gz AWTONPNPRKAOJO-UHFFFAOYSA-N 0 0 294.738 3.087 20 10 CGCDRN CCCC(C)(C)C(=O)NCc1cccc(Cl)c1O ZINC000890761032 617817672 /nfs/dbraw/zinc/81/76/72/617817672.db2.gz IXTOOWRWFJAEMW-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN C[C@H](CC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC000890763450 617819806 /nfs/dbraw/zinc/81/98/06/617819806.db2.gz WNZXIQQDEMCSMW-SSDOTTSWSA-N 0 0 295.688 3.250 20 10 CGCDRN C/C=C(/CC)C(=O)NCc1cc(Br)ccc1O ZINC000804739236 617827739 /nfs/dbraw/zinc/82/77/39/617827739.db2.gz BVNVKNHBRNUPJG-OQFOIZHKSA-N 0 0 298.180 3.127 20 10 CGCDRN CCCC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843426495 617840684 /nfs/dbraw/zinc/84/06/84/617840684.db2.gz XBEFLBVDUXZKCG-CQSZACIVSA-N 0 0 289.778 3.216 20 10 CGCDRN CCCC1(c2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000843160126 617956178 /nfs/dbraw/zinc/95/61/78/617956178.db2.gz WAFQCSOSZCHNOK-UHFFFAOYSA-N 0 0 257.337 3.074 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000176128169 618355877 /nfs/dbraw/zinc/35/58/77/618355877.db2.gz RQTOEZQCAZAOPJ-GJZGRUSLSA-N 0 0 273.376 3.177 20 10 CGCDRN CCN1C(=O)/C(=C\c2ccc(OC)cc2C)SC1=S ZINC000108059217 618750907 /nfs/dbraw/zinc/75/09/07/618750907.db2.gz VATBVFGXQVRSGI-XYOKQWHBSA-N 0 0 293.413 3.225 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(Cl)c1[O-] ZINC000287296085 618763257 /nfs/dbraw/zinc/76/32/57/618763257.db2.gz CFKUPKRIZGKFNG-JXJLXUTGSA-N 0 0 281.783 3.406 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)c(O)c1O ZINC000177668752 618834771 /nfs/dbraw/zinc/83/47/71/618834771.db2.gz AFRJVTWSBGIFJK-UHFFFAOYSA-N 0 0 282.299 3.140 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000176774657 618983764 /nfs/dbraw/zinc/98/37/64/618983764.db2.gz MLGRIEVEVWAIBJ-SJORKVTESA-N 0 0 286.419 3.195 20 10 CGCDRN CS[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180283180 619014336 /nfs/dbraw/zinc/01/43/36/619014336.db2.gz PPNYSJIVWYFXEM-CYBMUJFWSA-N 0 0 269.385 3.249 20 10 CGCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1 ZINC000180582558 619017416 /nfs/dbraw/zinc/01/74/16/619017416.db2.gz VZPRPSGCHSHDON-VMPITWQZSA-N 0 0 283.327 3.367 20 10 CGCDRN CCC(CC)(CC)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181192953 619023068 /nfs/dbraw/zinc/02/30/68/619023068.db2.gz SBIDUIDEUOJTCQ-CSKARUKUSA-N 0 0 291.391 3.444 20 10 CGCDRN CCOc1cc(NCc2ccc(N3CCCC3)cc2)ncn1 ZINC000185173985 619058300 /nfs/dbraw/zinc/05/83/00/619058300.db2.gz RNHOBKOBSLVZGQ-UHFFFAOYSA-N 0 0 298.390 3.088 20 10 CGCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000311360281 619141278 /nfs/dbraw/zinc/14/12/78/619141278.db2.gz OODWQPIGLIUMGN-VXGBXAGGSA-N 0 0 261.369 3.311 20 10 CGCDRN C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000185224243 619222681 /nfs/dbraw/zinc/22/26/81/619222681.db2.gz PNGDCULDDRWKPI-SMDDNHRTSA-N 0 0 287.334 3.186 20 10 CGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)s1 ZINC000048606752 619512305 /nfs/dbraw/zinc/51/23/05/619512305.db2.gz QMRQTXYRIBJIRW-UHFFFAOYSA-N 0 0 275.373 3.343 20 10 CGCDRN CCCOc1ccc(CN[C@H](C)c2nnc(C)[nH]2)cc1C ZINC000894776949 619630114 /nfs/dbraw/zinc/63/01/14/619630114.db2.gz GKYDEBLHRTZYJN-GFCCVEGCSA-N 0 0 288.395 3.061 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1CN1CC(C(F)(F)F)C1 ZINC000894891467 619670931 /nfs/dbraw/zinc/67/09/31/619670931.db2.gz FNGCVYBQRSMASW-UHFFFAOYSA-N 0 0 283.652 3.179 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CC(C(F)(F)F)C1 ZINC000894892131 619671358 /nfs/dbraw/zinc/67/13/58/619671358.db2.gz KNJVVKKVZFHGCL-UHFFFAOYSA-N 0 0 265.662 3.040 20 10 CGCDRN CCNC(=S)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000018945062 619677664 /nfs/dbraw/zinc/67/76/64/619677664.db2.gz WUZGWOUMQOQDFN-UHFFFAOYSA-N 0 0 291.464 3.003 20 10 CGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C2CC2)O1 ZINC000793219892 619706322 /nfs/dbraw/zinc/70/63/22/619706322.db2.gz PJMUCRVACHITAB-ZUZCIYMTSA-N 0 0 281.783 3.045 20 10 CGCDRN Nc1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000841299416 619837248 /nfs/dbraw/zinc/83/72/48/619837248.db2.gz CPFPFIQYUXCFET-HNNXBMFYSA-N 0 0 295.386 3.365 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000895528445 619842036 /nfs/dbraw/zinc/84/20/36/619842036.db2.gz YTHUPFCWFABTJT-YUSALJHKSA-N 0 0 294.782 3.033 20 10 CGCDRN CCCN(CC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895665547 619867894 /nfs/dbraw/zinc/86/78/94/619867894.db2.gz LQHXARYXURNTAU-UHFFFAOYSA-N 0 0 279.361 3.185 20 10 CGCDRN CCc1ccc(NCc2cc(C)cc(OC)c2O)nc1 ZINC000895690982 619870959 /nfs/dbraw/zinc/87/09/59/619870959.db2.gz NFDMWYCSTOOREM-UHFFFAOYSA-N 0 0 272.348 3.279 20 10 CGCDRN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000895870693 619898869 /nfs/dbraw/zinc/89/88/69/619898869.db2.gz SJOBLDDOJDFJLJ-MRVPVSSYSA-N 0 0 291.372 3.088 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)NC1CCC=CCC1 ZINC000896540080 620024677 /nfs/dbraw/zinc/02/46/77/620024677.db2.gz FWIUTHZIMVSPMS-UHFFFAOYSA-N 0 0 294.782 3.344 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)NCc1c(O)cccc1F ZINC000928705683 620207848 /nfs/dbraw/zinc/20/78/48/620207848.db2.gz KZDQLFOHEGDUGP-LLVKDONJSA-N 0 0 267.344 3.220 20 10 CGCDRN COc1ccc(O)c(CNc2ccccc2-n2cccn2)c1 ZINC000237363091 620370388 /nfs/dbraw/zinc/37/03/88/620370388.db2.gz WNMIKJXLYWWPRH-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758786 620405703 /nfs/dbraw/zinc/40/57/03/620405703.db2.gz VGYLYXQBIRTONT-QWRGUYRKSA-N 0 0 271.788 3.247 20 10 CGCDRN COC(=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000897889090 620444828 /nfs/dbraw/zinc/44/48/28/620444828.db2.gz NHQWVPJOFXCUAW-GFCCVEGCSA-N 0 0 299.798 3.113 20 10 CGCDRN Cc1cc(O)c(CNc2n[nH]cc2Br)cc1C ZINC000902173014 621185131 /nfs/dbraw/zinc/18/51/31/621185131.db2.gz MGXMWMYLDAFKGB-UHFFFAOYSA-N 0 0 296.168 3.107 20 10 CGCDRN CN(C)c1ccc(CNc2noc3c2CCCC3)cc1 ZINC000902285670 621227488 /nfs/dbraw/zinc/22/74/88/621227488.db2.gz LGEHQQVVSQRPBZ-UHFFFAOYSA-N 0 0 271.364 3.232 20 10 CGCDRN COC/C(C)=C/COc1ccc(N2CCCC2)cc1 ZINC000902718108 621406961 /nfs/dbraw/zinc/40/69/61/621406961.db2.gz ZDBBLAMCSLZHRC-NTEUORMPSA-N 0 0 261.365 3.258 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc(F)cc1[O-] ZINC000903381518 621723633 /nfs/dbraw/zinc/72/36/33/621723633.db2.gz AQVZJJOAWCAQLW-ABAIWWIYSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1c([O-])cccc1F ZINC000903386994 621726820 /nfs/dbraw/zinc/72/68/20/621726820.db2.gz FEUFYLJYTKKLST-RISCZKNCSA-N 0 0 279.355 3.284 20 10 CGCDRN CN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC000903771795 621803954 /nfs/dbraw/zinc/80/39/54/621803954.db2.gz YVIXTBHNLBYCFU-QWHCGFSZSA-N 0 0 288.313 3.205 20 10 CGCDRN Fc1cc(/C=C/c2nccs2)ccc1N1CCOCC1 ZINC000905070960 622035812 /nfs/dbraw/zinc/03/58/12/622035812.db2.gz OQACMHYVQWOJQF-DUXPYHPUSA-N 0 0 290.363 3.289 20 10 CGCDRN CC(C)(C)Cc1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905408386 622068504 /nfs/dbraw/zinc/06/85/04/622068504.db2.gz RVFSSWHSZAWQRR-UHFFFAOYSA-N 0 0 297.305 3.254 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2(C3CC3)CCC2)cc1 ZINC000905449363 622072542 /nfs/dbraw/zinc/07/25/42/622072542.db2.gz SZVXSFFJZYMCLT-UHFFFAOYSA-N 0 0 286.419 3.291 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000840764477 625561501 /nfs/dbraw/zinc/56/15/01/625561501.db2.gz QIRNFYQPJUWPEP-JLLWLGSASA-N 0 0 285.334 3.277 20 10 CGCDRN CC1(C)CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000150053018 622443375 /nfs/dbraw/zinc/44/33/75/622443375.db2.gz YRICJMGIGAOPSR-CYBMUJFWSA-N 0 0 261.369 3.359 20 10 CGCDRN CC[C@@H](C)CCCCC(=O)NCc1ccc(O)cc1O ZINC000910950211 622510272 /nfs/dbraw/zinc/51/02/72/622510272.db2.gz RXDIPMNHIXXEJI-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)Nc2ccccc2)c1 ZINC000913000780 622723043 /nfs/dbraw/zinc/72/30/43/622723043.db2.gz VHGDGXOBDSLITJ-UHFFFAOYSA-N 0 0 298.386 3.208 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000158118509 623008172 /nfs/dbraw/zinc/00/81/72/623008172.db2.gz DCNCRSOLBSYQDF-UHFFFAOYSA-N 0 0 291.734 3.064 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N=S(C)(C)=O ZINC000913645024 623548205 /nfs/dbraw/zinc/54/82/05/623548205.db2.gz KXCPWUHQFXAMFC-UHFFFAOYSA-N 0 0 296.417 3.023 20 10 CGCDRN O=C([C@@H]1CCC=CCCC1)N1Cc2cccc(O)c2C1 ZINC000913725842 623569356 /nfs/dbraw/zinc/56/93/56/623569356.db2.gz BHQMTMZVPTVCNL-CYBMUJFWSA-N 0 0 271.360 3.371 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCOCC1CCCC1 ZINC000313280464 623639340 /nfs/dbraw/zinc/63/93/40/623639340.db2.gz IWVHWEZRRYCIPA-UHFFFAOYSA-N 0 0 283.799 3.342 20 10 CGCDRN CCC1(CNC(=O)NCCCSc2nccs2)CC1 ZINC000154344169 624257086 /nfs/dbraw/zinc/25/70/86/624257086.db2.gz DVQYLQLYXJFKMP-UHFFFAOYSA-N 0 0 299.465 3.115 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OC[C@@H]2CCOC2)cc1 ZINC000918510619 624356956 /nfs/dbraw/zinc/35/69/56/624356956.db2.gz WSIZVHKAKZCPCQ-OAHLLOKOSA-N 0 0 299.370 3.287 20 10 CGCDRN CC(C)CC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180620324 624760553 /nfs/dbraw/zinc/76/05/53/624760553.db2.gz BQMNTABROXGDCO-CRALRDPISA-N 0 0 277.364 3.052 20 10 CGCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000180760744 624769917 /nfs/dbraw/zinc/76/99/17/624769917.db2.gz NUPWBAPXXGWIPG-UHFFFAOYSA-N 0 0 271.316 3.060 20 10 CGCDRN COc1ccc(N(C)Cc2cc(F)ccc2O)cc1F ZINC000180773884 624771229 /nfs/dbraw/zinc/77/12/29/624771229.db2.gz ICEDJZZOCLJSAE-UHFFFAOYSA-N 0 0 279.286 3.315 20 10 CGCDRN C[C@@H](CCC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181102663 624810151 /nfs/dbraw/zinc/81/01/51/624810151.db2.gz VVHJKHZDRSSPHU-WMADIVHISA-N 0 0 291.391 3.442 20 10 CGCDRN Cc1cccc(CNc2cccc(C#N)c2C)c1O ZINC000181454848 624862463 /nfs/dbraw/zinc/86/24/63/624862463.db2.gz YAUXKHKCDYRYDC-UHFFFAOYSA-N 0 0 252.317 3.493 20 10 CGCDRN CCC[C@H](NC(=O)Nc1ccc(N)cc1)C1CCC1 ZINC000324902064 624938976 /nfs/dbraw/zinc/93/89/76/624938976.db2.gz OFIBBZRYMFUNHJ-AWEZNQCLSA-N 0 0 261.369 3.359 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cccc(F)c1C#N ZINC000183599365 625096221 /nfs/dbraw/zinc/09/62/21/625096221.db2.gz SAWWVSTVTYUWFY-SNVBAGLBSA-N 0 0 286.306 3.152 20 10 CGCDRN CC(F)(F)CCCOC(=O)C1=CC(=O)CS1 ZINC000922436653 626005521 /nfs/dbraw/zinc/00/55/21/626005521.db2.gz FKDUUMYJBPWJTQ-UHFFFAOYSA-N 0 0 250.266 3.046 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922730652 626040155 /nfs/dbraw/zinc/04/01/55/626040155.db2.gz MFEGLMSWAJUPOV-POYBYMJQSA-N 0 0 297.679 3.473 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCCCCCC2)cc1 ZINC000321927350 626094624 /nfs/dbraw/zinc/09/46/24/626094624.db2.gz CITPPVLGSQVHGO-UHFFFAOYSA-N 0 0 261.369 3.457 20 10 CGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1CC1(C)C ZINC000842271240 626173441 /nfs/dbraw/zinc/17/34/41/626173441.db2.gz LXJAHPISQTZZDK-VHSXEESVSA-N 0 0 253.367 3.008 20 10 CGCDRN Cc1nc(C[NH2+]Cc2cccc(Cl)c2[O-])cs1 ZINC000124684832 634485003 /nfs/dbraw/zinc/48/50/03/634485003.db2.gz NHSQNODCDHVSPB-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000838651340 626240932 /nfs/dbraw/zinc/24/09/32/626240932.db2.gz ZPBIBMBTSSQBGI-KGLIPLIRSA-N 0 0 290.407 3.360 20 10 CGCDRN COC1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000839169310 626324752 /nfs/dbraw/zinc/32/47/52/626324752.db2.gz RFTIFUXELPSVGS-UHFFFAOYSA-N 0 0 287.762 3.232 20 10 CGCDRN CCCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000873971611 634500744 /nfs/dbraw/zinc/50/07/44/634500744.db2.gz PJIWMHRXSBCMQF-UHFFFAOYSA-N 0 0 288.351 3.254 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@@H]2C)cc1 ZINC000804967514 626367032 /nfs/dbraw/zinc/36/70/32/626367032.db2.gz WGSSYDOYKHKRRR-BBRMVZONSA-N 0 0 289.423 3.131 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000124752026 634497618 /nfs/dbraw/zinc/49/76/18/634497618.db2.gz SOGSVZPHFNAGOJ-NSHDSACASA-N 0 0 251.757 3.492 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC2(C)C)cc1 ZINC000751639380 626399796 /nfs/dbraw/zinc/39/97/96/626399796.db2.gz MLHHTYUTJCMLHC-HNNXBMFYSA-N 0 0 274.408 3.195 20 10 CGCDRN Cc1oc2ncnc(NCc3ccccc3O)c2c1C ZINC000752631931 626434050 /nfs/dbraw/zinc/43/40/50/626434050.db2.gz IEIJHPNJKRONEK-UHFFFAOYSA-N 0 0 269.304 3.157 20 10 CGCDRN CCN1C(=O)/C(=C\c2cc(F)cc(F)c2)SC1=S ZINC000755401418 626621585 /nfs/dbraw/zinc/62/15/85/626621585.db2.gz ALMLCLPUQAPAOX-BJMVGYQFSA-N 0 0 285.340 3.186 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC(C)C)c1 ZINC000756370878 626697561 /nfs/dbraw/zinc/69/75/61/626697561.db2.gz KNZGVZVXLWNUAZ-LBPRGKRZSA-N 0 0 279.380 3.266 20 10 CGCDRN CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756533107 626712437 /nfs/dbraw/zinc/71/24/37/626712437.db2.gz HABRCJISDATNIE-MNOVXSKESA-N 0 0 286.366 3.051 20 10 CGCDRN CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756533105 626712717 /nfs/dbraw/zinc/71/27/17/626712717.db2.gz HABRCJISDATNIE-GHMZBOCLSA-N 0 0 286.366 3.051 20 10 CGCDRN CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756532514 626712724 /nfs/dbraw/zinc/71/27/24/626712724.db2.gz CQDLSUWOFCNJPQ-MNOVXSKESA-N 0 0 286.366 3.051 20 10 CGCDRN Cc1noc(C)c1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756551936 626713906 /nfs/dbraw/zinc/71/39/06/626713906.db2.gz LGZFKIARCFYNQV-MRVPVSSYSA-N 0 0 296.317 3.169 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc(F)cc(F)c1[O-] ZINC000756550988 626714201 /nfs/dbraw/zinc/71/42/01/626714201.db2.gz VKELJPIYDFSPPM-SNVBAGLBSA-N 0 0 293.313 3.014 20 10 CGCDRN CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756575924 626716939 /nfs/dbraw/zinc/71/69/39/626716939.db2.gz RIHRYLSJSMRCFS-UKRRQHHQSA-N 0 0 294.414 3.446 20 10 CGCDRN C[C@@H](NCc1ccon1)c1cc2c(cc1O)CCCC2 ZINC000756635310 626722602 /nfs/dbraw/zinc/72/26/02/626722602.db2.gz FQUJAKSXNYMAQV-LLVKDONJSA-N 0 0 272.348 3.110 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(F)cc(F)c1[O-] ZINC000756757909 626729303 /nfs/dbraw/zinc/72/93/03/626729303.db2.gz DQYSFCRZYKIOGM-ISVAXAHUSA-N 0 0 293.317 3.122 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756763068 626729761 /nfs/dbraw/zinc/72/97/61/626729761.db2.gz YIIZFWDKMBJOOB-GXSJLCMTSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756764661 626730175 /nfs/dbraw/zinc/73/01/75/626730175.db2.gz JUDGVZOIMQJVLH-PWSUYJOCSA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1 ZINC000756782352 626732110 /nfs/dbraw/zinc/73/21/10/626732110.db2.gz AUDSXVPGHJNPAZ-NXEZZACHSA-N 0 0 275.308 3.040 20 10 CGCDRN COc1ccc(N(C)CC(F)(F)C(F)F)cc1F ZINC000757852085 626810329 /nfs/dbraw/zinc/81/03/29/626810329.db2.gz SWSLPYOPIUMVSV-UHFFFAOYSA-N 0 0 269.213 3.171 20 10 CGCDRN CN(Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000757890010 626812554 /nfs/dbraw/zinc/81/25/54/626812554.db2.gz NVVAYSWOTKBUHV-UHFFFAOYSA-N 0 0 262.740 3.073 20 10 CGCDRN Cc1cccc(C)c1CNC(=O)N(C)Cc1ccccc1O ZINC000124912288 634527130 /nfs/dbraw/zinc/52/71/30/634527130.db2.gz KSTIPWKSMZISPO-UHFFFAOYSA-N 0 0 298.386 3.351 20 10 CGCDRN CC[C@@]1(C)CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000758485095 626845821 /nfs/dbraw/zinc/84/58/21/626845821.db2.gz IQSCRBCRUSOPLH-KRWDZBQOSA-N 0 0 289.423 3.084 20 10 CGCDRN CC(C)[C@@H]1N(C(=O)C2=CC(=O)CS2)CC12CCCC2 ZINC000839790967 626856318 /nfs/dbraw/zinc/85/63/18/626856318.db2.gz DEMNQFPOTQBMSZ-ZDUSSCGKSA-N 0 0 279.405 3.495 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCOC[C@@H]2CCCO2)cc1 ZINC000759915590 626930476 /nfs/dbraw/zinc/93/04/76/626930476.db2.gz PXJAXVQGDSJWKZ-KRWDZBQOSA-N 0 0 293.407 3.106 20 10 CGCDRN O=C1NC(=S)S/C1=C\c1ccc(C(F)(F)F)s1 ZINC000761375307 627036505 /nfs/dbraw/zinc/03/65/05/627036505.db2.gz HKRMZNBPAYJJJV-HYXAFXHYSA-N 0 0 295.332 3.256 20 10 CGCDRN CCC(CC)(CC)C(=O)NCc1cc(OC)ccc1O ZINC000761568297 627051415 /nfs/dbraw/zinc/05/14/15/627051415.db2.gz NJYBOYFZMPABJR-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN COCCc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000761795537 627061551 /nfs/dbraw/zinc/06/15/51/627061551.db2.gz WUZBYYJSDKYHGT-UHFFFAOYSA-N 0 0 262.378 3.065 20 10 CGCDRN CCC(CC)[C@@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000761982036 627077983 /nfs/dbraw/zinc/07/79/83/627077983.db2.gz QNWIIJFJCFHZLE-LLVKDONJSA-N 0 0 279.380 3.089 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc(C)nc1 ZINC000766267889 627307699 /nfs/dbraw/zinc/30/76/99/627307699.db2.gz CWWBVZVDVQGPEM-UHFFFAOYSA-N 0 0 283.375 3.137 20 10 CGCDRN S=C(NCc1ccc2c(n1)CCCC2)Nc1ccccc1 ZINC000766521569 627340484 /nfs/dbraw/zinc/34/04/84/627340484.db2.gz FGZLXPINRJVNOA-UHFFFAOYSA-N 0 0 297.427 3.447 20 10 CGCDRN C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768272972 627472304 /nfs/dbraw/zinc/47/23/04/627472304.db2.gz XPAYCNFQEWDPQB-HTQZYQBOSA-N 0 0 292.257 3.292 20 10 CGCDRN CC(=O)N1CCc2c1cccc2NCc1cccc(C)c1O ZINC000769558211 627566284 /nfs/dbraw/zinc/56/62/84/627566284.db2.gz UBZOUBAWKPVBNM-UHFFFAOYSA-N 0 0 296.370 3.222 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1cccc(OC)c1 ZINC000772044566 627758330 /nfs/dbraw/zinc/75/83/30/627758330.db2.gz DJKRBBLZXSFEKN-HJWRWDBZSA-N 0 0 296.370 3.465 20 10 CGCDRN C[C@@H](Nc1ccnc2ccncc21)c1ccc(N(C)C)cc1 ZINC000772300684 627782610 /nfs/dbraw/zinc/78/26/10/627782610.db2.gz NMACPWBIINGACS-CYBMUJFWSA-N 0 0 292.386 3.291 20 10 CGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)nn1-c1ccccc1 ZINC000772932026 627833319 /nfs/dbraw/zinc/83/33/19/627833319.db2.gz KNAZIFRNEQWRMV-UHFFFAOYSA-N 0 0 299.355 3.200 20 10 CGCDRN C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(N(C)C)cc1 ZINC000773009784 627841513 /nfs/dbraw/zinc/84/15/13/627841513.db2.gz QZLMGUXCDBURAJ-SNVBAGLBSA-N 0 0 291.782 3.225 20 10 CGCDRN C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(N(C)C)cc1 ZINC000773015988 627842536 /nfs/dbraw/zinc/84/25/36/627842536.db2.gz RTTGMUYELHXNNN-NHAQELONSA-N 0 0 284.359 3.236 20 10 CGCDRN COc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773019440 627843077 /nfs/dbraw/zinc/84/30/77/627843077.db2.gz XNZGKJJQSLWZMD-ZDUSSCGKSA-N 0 0 298.386 3.252 20 10 CGCDRN C[C@H](NC(=O)NCC1(C)CCC1)c1ccc(N(C)C)cc1 ZINC000773359996 627875325 /nfs/dbraw/zinc/87/53/25/627875325.db2.gz BCNXXNIBKFWJLQ-ZDUSSCGKSA-N 0 0 289.423 3.303 20 10 CGCDRN Cc1cc(C)c(CC(=O)NCc2ccccc2O)c(C)c1 ZINC000773468842 627887951 /nfs/dbraw/zinc/88/79/51/627887951.db2.gz JIRVKTQJUBNTTB-UHFFFAOYSA-N 0 0 283.371 3.176 20 10 CGCDRN CC[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773612402 627899761 /nfs/dbraw/zinc/89/97/61/627899761.db2.gz MIONRZYRYVBERG-ZFWWWQNUSA-N 0 0 289.423 3.398 20 10 CGCDRN C[C@H](NC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000774018242 627938676 /nfs/dbraw/zinc/93/86/76/627938676.db2.gz RYJQUPDSKTWJCF-ZDUSSCGKSA-N 0 0 289.423 3.446 20 10 CGCDRN Cc1nc(NCc2ccccc2O)cc(C(F)(F)F)n1 ZINC000774524570 628001429 /nfs/dbraw/zinc/00/14/29/628001429.db2.gz VJNMCDQXSWIWKL-UHFFFAOYSA-N 0 0 283.253 3.122 20 10 CGCDRN CC(C)=C(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775411632 628092533 /nfs/dbraw/zinc/09/25/33/628092533.db2.gz RKYWKPXAJATHQW-CYBMUJFWSA-N 0 0 260.381 3.286 20 10 CGCDRN CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1cc(Cl)ccc1O ZINC000775492765 628099975 /nfs/dbraw/zinc/09/99/75/628099975.db2.gz QTBNYNWTLKMPOT-CYBMUJFWSA-N 0 0 298.814 3.001 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Cl)ccc1O ZINC000775492296 628100486 /nfs/dbraw/zinc/10/04/86/628100486.db2.gz NBXHURXQTMWSHP-SMDDNHRTSA-N 0 0 293.798 3.372 20 10 CGCDRN Cc1cc(Cl)cc(CN(C)CC(=O)OC(C)(C)C)c1O ZINC000775668547 628122827 /nfs/dbraw/zinc/12/28/27/628122827.db2.gz FGEVNMIQBOLTMO-UHFFFAOYSA-N 0 0 299.798 3.128 20 10 CGCDRN COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775689751 628126304 /nfs/dbraw/zinc/12/63/04/628126304.db2.gz IHMIMHFRPKMAOQ-JTQLQIEISA-N 0 0 287.762 3.043 20 10 CGCDRN Cn1cccc1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775713430 628128294 /nfs/dbraw/zinc/12/82/94/628128294.db2.gz NPEHSFIKFGIHJG-UHFFFAOYSA-N 0 0 282.746 3.155 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1CN1CCOCC12CCCC2 ZINC000775733794 628130412 /nfs/dbraw/zinc/13/04/12/628130412.db2.gz IHONSOPNDSNNSI-UHFFFAOYSA-N 0 0 299.773 3.330 20 10 CGCDRN C[C@H](NCc1nnsc1Cl)c1ccc(N(C)C)cc1 ZINC000775830153 628140606 /nfs/dbraw/zinc/14/06/06/628140606.db2.gz DSXJQXXBJDTFDX-VIFPVBQESA-N 0 0 296.827 3.108 20 10 CGCDRN C[C@H](NCc1ncc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000775834300 628141034 /nfs/dbraw/zinc/14/10/34/628141034.db2.gz QMFBUTHXYBCNEO-LBPRGKRZSA-N 0 0 285.391 3.469 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1cccc2cc[nH]c21 ZINC000776063138 628161919 /nfs/dbraw/zinc/16/19/19/628161919.db2.gz HCFRNVKSTPCFKV-UHFFFAOYSA-N 0 0 281.315 3.195 20 10 CGCDRN C[C@H](NC(=O)NC1(C)CCCC1)c1ccc(N(C)C)cc1 ZINC000776133356 628171202 /nfs/dbraw/zinc/17/12/02/628171202.db2.gz YKYBXZFMFUUWCO-ZDUSSCGKSA-N 0 0 289.423 3.446 20 10 CGCDRN CCN(CC1CC1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776243696 628183831 /nfs/dbraw/zinc/18/38/31/628183831.db2.gz GRVPPOKBEGJQFL-ZDUSSCGKSA-N 0 0 289.423 3.255 20 10 CGCDRN CCOc1cccc(NCc2cccc(Cl)c2O)n1 ZINC000776250715 628184572 /nfs/dbraw/zinc/18/45/72/628184572.db2.gz KNCLFCPWUAHDCA-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000776478060 628213512 /nfs/dbraw/zinc/21/35/12/628213512.db2.gz AVESWLNHYKHFLL-OCCSQVGLSA-N 0 0 287.403 3.323 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)cc1 ZINC000777854415 628304168 /nfs/dbraw/zinc/30/41/68/628304168.db2.gz MEXMNAMZOUGHQG-DHZHZOJOSA-N 0 0 266.344 3.375 20 10 CGCDRN CN(Cc1ccc(Cl)cn1)c1ccc2c(c1)OCO2 ZINC000778227318 628335347 /nfs/dbraw/zinc/33/53/47/628335347.db2.gz JUUCJRCRPHUZTF-UHFFFAOYSA-N 0 0 276.723 3.100 20 10 CGCDRN Cc1ccc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)cc1 ZINC000778655153 628363261 /nfs/dbraw/zinc/36/32/61/628363261.db2.gz BQWXJKFFCVFTMZ-UHFFFAOYSA-N 0 0 294.358 3.000 20 10 CGCDRN CC[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000779215528 628394952 /nfs/dbraw/zinc/39/49/52/628394952.db2.gz AOXBPUQPRBCEDU-ZDUSSCGKSA-N 0 0 290.190 3.046 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779495726 628415639 /nfs/dbraw/zinc/41/56/39/628415639.db2.gz IDEQTSWEWFPZPT-OJYSIEITSA-N 0 0 289.375 3.196 20 10 CGCDRN C[C@@H](N(C)C(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000779492306 628415640 /nfs/dbraw/zinc/41/56/40/628415640.db2.gz ITKCATZLFZVYNT-GXMKHXEJSA-N 0 0 277.364 3.004 20 10 CGCDRN COc1cccc(O)c1CN1CC2(CC2)c2ccccc21 ZINC000780774291 628516341 /nfs/dbraw/zinc/51/63/41/628516341.db2.gz KERFQWVOCCKCSM-UHFFFAOYSA-N 0 0 281.355 3.453 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000780780320 628516739 /nfs/dbraw/zinc/51/67/39/628516739.db2.gz PZBGBOOIOOLMSE-UWVGGRQHSA-N 0 0 287.762 3.089 20 10 CGCDRN CCC1CCC(N(C)C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000780881240 628521629 /nfs/dbraw/zinc/52/16/29/628521629.db2.gz AJRDCJIWVNNTBW-UHFFFAOYSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1ccc(C(=O)N(CC(C)C)C2CCCC2)c(O)c1O ZINC000780917729 628524158 /nfs/dbraw/zinc/52/41/58/628524158.db2.gz LIXXTUIVYNFCIV-UHFFFAOYSA-N 0 0 291.391 3.447 20 10 CGCDRN CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000781639196 628581333 /nfs/dbraw/zinc/58/13/33/628581333.db2.gz PHRBFOOTYPUGSX-NSHDSACASA-N 0 0 290.338 3.176 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000782013237 628610372 /nfs/dbraw/zinc/61/03/72/628610372.db2.gz HSMVGMMAVPMDRT-VXGBXAGGSA-N 0 0 291.391 3.404 20 10 CGCDRN CCc1cc(NCc2ccc3c(c2)CCCN3C)nc(C)n1 ZINC000782134522 628617691 /nfs/dbraw/zinc/61/76/91/628617691.db2.gz FVVGCPAHPBNZSH-UHFFFAOYSA-N 0 0 296.418 3.342 20 10 CGCDRN O=C(N[C@H]1CCCc2occc21)N1Cc2cccc(O)c2C1 ZINC000875093005 634675757 /nfs/dbraw/zinc/67/57/57/634675757.db2.gz GRXZMSJDBKVLQE-AWEZNQCLSA-N 0 0 298.342 3.088 20 10 CGCDRN O=C(OCCSc1ccccc1)C1=CC(=O)CS1 ZINC000783607739 628731085 /nfs/dbraw/zinc/73/10/85/628731085.db2.gz KAYZHVADJWMFIS-UHFFFAOYSA-N 0 0 280.370 3.403 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccc1C)c1cccc(OC)c1 ZINC000783894553 628756208 /nfs/dbraw/zinc/75/62/08/628756208.db2.gz IVIUYDYCPNFFQP-HJWRWDBZSA-N 0 0 296.370 3.465 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccccc1O ZINC000875160431 634681148 /nfs/dbraw/zinc/68/11/48/634681148.db2.gz BJNLLYGQFAHXBA-QWHCGFSZSA-N 0 0 274.364 3.109 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](F)C(C)C)cc1 ZINC000784034009 628770146 /nfs/dbraw/zinc/77/01/46/628770146.db2.gz WBTCTRHHQSNIBA-MRXNPFEDSA-N 0 0 294.414 3.485 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1cnccc1C ZINC000784089742 628778016 /nfs/dbraw/zinc/77/80/16/628778016.db2.gz FMMGJORWBSPSPY-KTKRTIGZSA-N 0 0 296.370 3.465 20 10 CGCDRN COC(=O)CCc1cccc(NCc2cccc(C)c2O)c1 ZINC000786576537 628949267 /nfs/dbraw/zinc/94/92/67/628949267.db2.gz IAQCIIOEJMAHFD-UHFFFAOYSA-N 0 0 299.370 3.418 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(F)cn2)cc1 ZINC000787252383 629005343 /nfs/dbraw/zinc/00/53/43/629005343.db2.gz WDWXUWFKGQPYIJ-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN CCC(O)(CC)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000788260554 629043281 /nfs/dbraw/zinc/04/32/81/629043281.db2.gz CGXSHKJJUOKGJR-JTQLQIEISA-N 0 0 287.350 3.262 20 10 CGCDRN COCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788496904 629059533 /nfs/dbraw/zinc/05/95/33/629059533.db2.gz BSPVTWUPNYVKJX-VIFPVBQESA-N 0 0 277.286 3.098 20 10 CGCDRN C[C@H]([NH2+]CCF)c1cccc(C(F)(F)F)c1[O-] ZINC000788801046 629082446 /nfs/dbraw/zinc/08/24/46/629082446.db2.gz KJHHVKGFSFUBRR-ZETCQYMHSA-N 0 0 251.223 3.031 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)Nc2cn(C)nc2OC)cc1 ZINC000788983711 629093850 /nfs/dbraw/zinc/09/38/50/629093850.db2.gz FVGKEGSRVPUBCT-GFCCVEGCSA-N 0 0 288.395 3.058 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CC[C@@H](C)O1 ZINC000789306490 629122973 /nfs/dbraw/zinc/12/29/73/629122973.db2.gz PDVJCLXSLIYMEY-DOMZBBRYSA-N 0 0 261.365 3.015 20 10 CGCDRN CCN(C[C@@H]1CC[C@@H](C)O1)c1ccc(OC)c(OC)c1 ZINC000789343017 629125426 /nfs/dbraw/zinc/12/54/26/629125426.db2.gz OVFZXHFZWRBJSN-OCCSQVGLSA-N 0 0 279.380 3.098 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CC[C@H](C)O1 ZINC000789362384 629127744 /nfs/dbraw/zinc/12/77/44/629127744.db2.gz JLOBMNIEIAITBJ-BBRMVZONSA-N 0 0 275.392 3.405 20 10 CGCDRN CCCCC[C@H](NCc1ccc(OC)c(C)c1)C(=O)OC ZINC000789578709 629146277 /nfs/dbraw/zinc/14/62/77/629146277.db2.gz RVLGEYAPSSRWNX-HNNXBMFYSA-N 0 0 293.407 3.215 20 10 CGCDRN CCCN(CCC)c1ccc(C[NH2+]C2(C(=O)[O-])CC2)cc1 ZINC000789897938 629172647 /nfs/dbraw/zinc/17/26/47/629172647.db2.gz QGBZYLKFODCBLT-UHFFFAOYSA-N 0 0 290.407 3.020 20 10 CGCDRN CC(C)=CCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000790375729 629208425 /nfs/dbraw/zinc/20/84/25/629208425.db2.gz PDSWZTCNIALTGV-UHFFFAOYSA-N 0 0 289.423 3.217 20 10 CGCDRN CC(C)(CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000790739796 629226930 /nfs/dbraw/zinc/22/69/30/629226930.db2.gz KLBWQVIBMAVYBX-UHFFFAOYSA-N 0 0 299.370 3.097 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1ccc(O)cc1 ZINC000790958809 629242737 /nfs/dbraw/zinc/24/27/37/629242737.db2.gz SQFFTJMPNHBFLB-UHFFFAOYSA-N 0 0 295.741 3.223 20 10 CGCDRN CC(C)(CCCO)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790981319 629245736 /nfs/dbraw/zinc/24/57/36/629245736.db2.gz IGJZPAUZNSFOMZ-UHFFFAOYSA-N 0 0 289.778 3.073 20 10 CGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000790988782 629247052 /nfs/dbraw/zinc/24/70/52/629247052.db2.gz AQPNSQCJKMTZCI-ZJUUUORDSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790993739 629247960 /nfs/dbraw/zinc/24/79/60/629247960.db2.gz YKNHLFDZHQGXOM-BDAKNGLRSA-N 0 0 257.736 3.463 20 10 CGCDRN CCO[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792161845 629342330 /nfs/dbraw/zinc/34/23/30/629342330.db2.gz JVYPHYHJIFYEFJ-SNVBAGLBSA-N 0 0 287.762 3.186 20 10 CGCDRN CC(C)OCCC[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792164725 629342452 /nfs/dbraw/zinc/34/24/52/629342452.db2.gz CTLLBLULYHJXQB-UHFFFAOYSA-N 0 0 289.778 3.432 20 10 CGCDRN C[C@@H](NC(=O)N1[C@H](C)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000792178927 629346035 /nfs/dbraw/zinc/34/60/35/629346035.db2.gz LMTPXLGMLVXREX-FRRDWIJNSA-N 0 0 275.396 3.006 20 10 CGCDRN Oc1ccccc1CN[C@H](c1nccs1)C(F)(F)F ZINC000862431175 629370680 /nfs/dbraw/zinc/37/06/80/629370680.db2.gz DYQYWXIPUDMJLH-SNVBAGLBSA-N 0 0 288.294 3.242 20 10 CGCDRN CCOc1cccc(CN2Cc3ccc(O)cc3C2)c1O ZINC000862450115 629381783 /nfs/dbraw/zinc/38/17/83/629381783.db2.gz OKGZMVDUFORUDH-UHFFFAOYSA-N 0 0 285.343 3.012 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000862754402 629429146 /nfs/dbraw/zinc/42/91/46/629429146.db2.gz DHVPUGAVFFTRFK-YJBOKZPZSA-N 0 0 299.345 3.202 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3ccccc3C2)c1 ZINC000862755078 629429929 /nfs/dbraw/zinc/42/99/29/629429929.db2.gz OIMNTXLWOMPYAT-MRXNPFEDSA-N 0 0 295.382 3.122 20 10 CGCDRN CCS[C@H](C(=O)NCc1cc(C)ccc1O)C(C)C ZINC000862758526 629430837 /nfs/dbraw/zinc/43/08/37/629430837.db2.gz BTZGYPMLYMDYST-AWEZNQCLSA-N 0 0 281.421 3.095 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](C)CC(C)C)c1 ZINC000862758467 629431045 /nfs/dbraw/zinc/43/10/45/629431045.db2.gz AMGATXXIAQZNSV-ZDUSSCGKSA-N 0 0 263.381 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2ccsc2)c1 ZINC000862760509 629431932 /nfs/dbraw/zinc/43/19/32/629431932.db2.gz SYJPPMZDDVXSRH-LLVKDONJSA-N 0 0 275.373 3.182 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000793607868 629490467 /nfs/dbraw/zinc/49/04/67/629490467.db2.gz DLYCRFMGMJFKFV-ZIAGYGMSSA-N 0 0 299.773 3.328 20 10 CGCDRN CCNC(=S)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863232921 629503425 /nfs/dbraw/zinc/50/34/25/629503425.db2.gz GLOSABDJHVXSRM-UHFFFAOYSA-N 0 0 287.432 3.078 20 10 CGCDRN COc1ccc(CNC(=O)C[C@H]2CCC[C@H](C)C2)c(O)c1 ZINC000794379315 629538672 /nfs/dbraw/zinc/53/86/72/629538672.db2.gz OWGROJQDSAHNTL-STQMWFEESA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(CNC(=O)C2(C)CCCCCC2)c(O)c1 ZINC000794390152 629538966 /nfs/dbraw/zinc/53/89/66/629538966.db2.gz YXJSQNAALSBFTL-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN CC(C)(C)CNC(=O)CSc1ncc(Cl)s1 ZINC000863347899 629542674 /nfs/dbraw/zinc/54/26/74/629542674.db2.gz KDTPHTGVFRYLES-UHFFFAOYSA-N 0 0 278.830 3.051 20 10 CGCDRN CCO[C@H](COc1ccc(N2CCCC2)cc1)C1CC1 ZINC000863458734 629577652 /nfs/dbraw/zinc/57/76/52/629577652.db2.gz FFGQMXPMIRNIMO-QGZVFWFLSA-N 0 0 275.392 3.481 20 10 CGCDRN CCOC1CC(CN2CCCc3cc(OC)ccc32)C1 ZINC000795859294 629721752 /nfs/dbraw/zinc/72/17/52/629721752.db2.gz ZZYFUNBRYAURCK-UHFFFAOYSA-N 0 0 275.392 3.263 20 10 CGCDRN CC1=C(C)C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000796022186 629736465 /nfs/dbraw/zinc/73/64/65/629736465.db2.gz YYVZNGPUFYCALK-UHFFFAOYSA-N 0 0 296.754 3.496 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796696833 629815915 /nfs/dbraw/zinc/81/59/15/629815915.db2.gz VSQFUJJJKSPYDL-CZUORRHYSA-N 0 0 294.414 3.304 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796696832 629816118 /nfs/dbraw/zinc/81/61/18/629816118.db2.gz VSQFUJJJKSPYDL-CJNGLKHVSA-N 0 0 294.414 3.304 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796774967 629831386 /nfs/dbraw/zinc/83/13/86/629831386.db2.gz AOTMCSXHZYKVPM-GXTWGEPZSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796774969 629831422 /nfs/dbraw/zinc/83/14/22/629831422.db2.gz AOTMCSXHZYKVPM-OCCSQVGLSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796838795 629845341 /nfs/dbraw/zinc/84/53/41/629845341.db2.gz ZOKDCEIQOQRXKY-TZMCWYRMSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000120387162 630006157 /nfs/dbraw/zinc/00/61/57/630006157.db2.gz AMTXIWDBXHCTSU-NWDGAFQWSA-N 0 0 295.402 3.126 20 10 CGCDRN C[C@H](NC(=S)N[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000865269187 630041878 /nfs/dbraw/zinc/04/18/78/630041878.db2.gz CJQPTXLSTJQSFO-OBJOEFQTSA-N 0 0 292.448 3.496 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798937722 630127493 /nfs/dbraw/zinc/12/74/93/630127493.db2.gz OZLWJOAAWCFYJU-SDDRHHMPSA-N 0 0 278.352 3.387 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(C2CCC2)c1 ZINC000798982566 630133437 /nfs/dbraw/zinc/13/34/37/630133437.db2.gz WAFOHNSAHCQIKS-UHFFFAOYSA-N 0 0 297.354 3.295 20 10 CGCDRN C[C@@H]1CC=C(C(=O)NCCCSc2nccs2)CC1 ZINC000836698620 634792517 /nfs/dbraw/zinc/79/25/17/634792517.db2.gz QMPFPDQBLWDTCL-LLVKDONJSA-N 0 0 296.461 3.488 20 10 CGCDRN CO[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736220 630228521 /nfs/dbraw/zinc/22/85/21/630228521.db2.gz IMHZNPZMNATQNN-UWVGGRQHSA-N 0 0 287.762 3.184 20 10 CGCDRN O=C(c1ccc(F)cc1)c1cc(Cl)ccc1NCCO ZINC000799969589 630248919 /nfs/dbraw/zinc/24/89/19/630248919.db2.gz VLLPSJWWXVPEDK-UHFFFAOYSA-N 0 0 293.725 3.114 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccccc1 ZINC000839913617 630294134 /nfs/dbraw/zinc/29/41/34/630294134.db2.gz MPKAPKBWJOBDPC-OAHLLOKOSA-N 0 0 296.414 3.422 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccco1 ZINC000839914289 630294324 /nfs/dbraw/zinc/29/43/24/630294324.db2.gz RVKFHKOKARICCA-ZDUSSCGKSA-N 0 0 286.375 3.015 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C ZINC000801548218 630342998 /nfs/dbraw/zinc/34/29/98/630342998.db2.gz CDCKMMQDQJLGCA-JSGCOSHPSA-N 0 0 261.365 3.177 20 10 CGCDRN CCCCN(C(=O)/C=C(/C)c1cnccn1)c1ccncc1 ZINC000876293256 634809807 /nfs/dbraw/zinc/80/98/07/634809807.db2.gz YXVKYHLAGBDADE-OWBHPGMISA-N 0 0 296.374 3.108 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000806138518 630546848 /nfs/dbraw/zinc/54/68/48/630546848.db2.gz WUYGAWKRWNCEDR-NHYWBVRUSA-N 0 0 294.826 3.323 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc(Cl)c1[O-] ZINC000806161855 630551964 /nfs/dbraw/zinc/55/19/64/630551964.db2.gz VBOHZPJEFWGVIY-YNEHKIRRSA-N 0 0 283.799 3.246 20 10 CGCDRN COc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1O ZINC000809740239 630796726 /nfs/dbraw/zinc/79/67/26/630796726.db2.gz QQQSZHJPSMERGY-UHFFFAOYSA-N 0 0 293.750 3.050 20 10 CGCDRN [O-]c1c(Cl)cccc1CNCc1nccc(C(F)F)n1 ZINC000809783206 630807157 /nfs/dbraw/zinc/80/71/57/630807157.db2.gz VHUWLBJKFUYEKH-UHFFFAOYSA-N 0 0 299.708 3.063 20 10 CGCDRN CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)nc1 ZINC000809968451 630822925 /nfs/dbraw/zinc/82/29/25/630822925.db2.gz CULMYCPSKHSIDN-UHFFFAOYSA-N 0 0 297.402 3.201 20 10 CGCDRN COc1ccc(N(C)Cc2cccnc2C)c(OC)c1 ZINC000809965973 630823328 /nfs/dbraw/zinc/82/33/28/630823328.db2.gz REZOFQOBFIYIIV-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CN(C)c1ccc(OCc2ncc(Cl)s2)cc1 ZINC000809999874 630826390 /nfs/dbraw/zinc/82/63/90/630826390.db2.gz AJKCOKRPQKNPGH-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000810245160 630859002 /nfs/dbraw/zinc/85/90/02/630859002.db2.gz STDYZDNIGDMFJN-CHWSQXEVSA-N 0 0 282.403 3.302 20 10 CGCDRN CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000810264012 630862792 /nfs/dbraw/zinc/86/27/92/630862792.db2.gz WAMAVIXRDRBSJM-QWHCGFSZSA-N 0 0 282.403 3.302 20 10 CGCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)C1=CC(=O)CS1 ZINC000812419552 631254488 /nfs/dbraw/zinc/25/44/88/631254488.db2.gz MYVGYEIHGUTKTI-WDEREUQCSA-N 0 0 283.393 3.284 20 10 CGCDRN Cn1cc(NCc2c(O)ccc(Cl)c2F)c(C2CC2)n1 ZINC000812777341 631307307 /nfs/dbraw/zinc/30/73/07/631307307.db2.gz IMBYWJHHQYWKKR-UHFFFAOYSA-N 0 0 295.745 3.408 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCF ZINC000813228186 631392760 /nfs/dbraw/zinc/39/27/60/631392760.db2.gz JTSQDCIPEQLTHH-UHFFFAOYSA-N 0 0 295.402 3.034 20 10 CGCDRN CC[C@H](C)CONC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000813719162 631456174 /nfs/dbraw/zinc/45/61/74/631456174.db2.gz LRKOLMOSRIACFN-QWHCGFSZSA-N 0 0 293.411 3.091 20 10 CGCDRN Cc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)nc1 ZINC000814185662 631542346 /nfs/dbraw/zinc/54/23/46/631542346.db2.gz MQGAVGDYUASEEG-KPKJPENVSA-N 0 0 290.413 3.144 20 10 CGCDRN CCc1noc(NCc2ccc(N(CC)CC)c(F)c2)n1 ZINC000814255651 631564122 /nfs/dbraw/zinc/56/41/22/631564122.db2.gz YQHISQTXVYXRFF-UHFFFAOYSA-N 0 0 292.358 3.229 20 10 CGCDRN CSCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553822 631793681 /nfs/dbraw/zinc/79/36/81/631793681.db2.gz KWPXBTXHIXPULL-QMMMGPOBSA-N 0 0 279.327 3.425 20 10 CGCDRN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815587006 631801902 /nfs/dbraw/zinc/80/19/02/631801902.db2.gz WXOKBRNXWFCLPG-JOYOIKCWSA-N 0 0 291.313 3.079 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000815648014 631812660 /nfs/dbraw/zinc/81/26/60/631812660.db2.gz BROZZJWETGHGJR-OCCSQVGLSA-N 0 0 295.398 3.371 20 10 CGCDRN Oc1c(CN2CCC[C@@H]2c2ncon2)ccc2ccccc21 ZINC000816499638 631994335 /nfs/dbraw/zinc/99/43/35/631994335.db2.gz VVSOJOKGXQDWNN-OAHLLOKOSA-N 0 0 295.342 3.266 20 10 CGCDRN CCCCOCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816529833 632004293 /nfs/dbraw/zinc/00/42/93/632004293.db2.gz JNYOTAPBILCSEO-UHFFFAOYSA-N 0 0 289.778 3.481 20 10 CGCDRN CCN(CC)[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816533200 632005473 /nfs/dbraw/zinc/00/54/73/632005473.db2.gz MLNUODRJUDOELK-SNVBAGLBSA-N 0 0 288.794 3.005 20 10 CGCDRN Cc1nc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cs1 ZINC000816531840 632006194 /nfs/dbraw/zinc/00/61/94/632006194.db2.gz HHQKOJWRUAYPQS-UHFFFAOYSA-N 0 0 286.759 3.239 20 10 CGCDRN CC(C)CCOCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816543082 632007434 /nfs/dbraw/zinc/00/74/34/632007434.db2.gz NOAHABLJJZEJKT-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1(C)C ZINC000816555042 632010079 /nfs/dbraw/zinc/01/00/79/632010079.db2.gz RICDCMKENXDAGC-STQMWFEESA-N 0 0 287.762 3.088 20 10 CGCDRN CO[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1C ZINC000816586393 632018393 /nfs/dbraw/zinc/01/83/93/632018393.db2.gz GSKJYKONPLQZGD-XPTSAGLGSA-N 0 0 287.762 3.042 20 10 CGCDRN COc1c([O-])c(C[NH2+]C(C)(C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000816625100 632027214 /nfs/dbraw/zinc/02/72/14/632027214.db2.gz RIYPVSGNNYTKRJ-UHFFFAOYSA-N 0 0 296.367 3.223 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000817415244 632145543 /nfs/dbraw/zinc/14/55/43/632145543.db2.gz PYZVXVVESZRBFS-GHMZBOCLSA-N 0 0 287.762 3.232 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC23CC3)cc1 ZINC000817423921 632150007 /nfs/dbraw/zinc/15/00/07/632150007.db2.gz TYSMBKHYZKWDSA-INIZCTEOSA-N 0 0 286.419 3.291 20 10 CGCDRN Cc1ncoc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817761788 632223103 /nfs/dbraw/zinc/22/31/03/632223103.db2.gz PFYBRLSMKUSUBS-UHFFFAOYSA-N 0 0 284.315 3.311 20 10 CGCDRN COc1ccccc1NC[C@H](O)Cc1cccc(Cl)c1 ZINC000819394328 632448668 /nfs/dbraw/zinc/44/86/68/632448668.db2.gz XYHWRRLWTBLFDB-CQSZACIVSA-N 0 0 291.778 3.364 20 10 CGCDRN C=C=CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000820199156 632586573 /nfs/dbraw/zinc/58/65/73/632586573.db2.gz HNCZCNGFKLYTTM-UHFFFAOYSA-N 0 0 280.371 3.473 20 10 CGCDRN CCN(C(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000821000021 632709407 /nfs/dbraw/zinc/70/94/07/632709407.db2.gz YMOSZCTYAKVQBQ-UHFFFAOYSA-N 0 0 253.367 3.249 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C=CCC1 ZINC000821068854 632720986 /nfs/dbraw/zinc/72/09/86/632720986.db2.gz UPDGVBOXWTWMCF-OAHLLOKOSA-N 0 0 288.391 3.423 20 10 CGCDRN Cc1nsc(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC000821396408 632763659 /nfs/dbraw/zinc/76/36/59/632763659.db2.gz MQZKDWIPQPBGGN-UHFFFAOYSA-N 0 0 276.361 3.125 20 10 CGCDRN COc1ccc(CNc2nc(C)cc(C(C)C)n2)c(O)c1 ZINC000865751386 632877242 /nfs/dbraw/zinc/87/72/42/632877242.db2.gz YLAMGELMMFXDJW-UHFFFAOYSA-N 0 0 287.363 3.235 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000822497397 632948201 /nfs/dbraw/zinc/94/82/01/632948201.db2.gz BZAAZAYPEQQOJN-WCQYABFASA-N 0 0 269.747 3.463 20 10 CGCDRN CO[C@@H](CN(C)c1ccc(OC(C)C)cc1)C1CC1 ZINC000822967806 633044034 /nfs/dbraw/zinc/04/40/34/633044034.db2.gz QPPQAJRROLWFJE-INIZCTEOSA-N 0 0 263.381 3.335 20 10 CGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823526379 633117025 /nfs/dbraw/zinc/11/70/25/633117025.db2.gz QHHLGLSNYQEHHI-DOMZBBRYSA-N 0 0 288.351 3.013 20 10 CGCDRN CC/C=C(\F)C(=O)N(CCC)Cc1ccccc1O ZINC000866600719 633208435 /nfs/dbraw/zinc/20/84/35/633208435.db2.gz DBTJIBSRGXQNGC-QPEQYQDCSA-N 0 0 265.328 3.394 20 10 CGCDRN CC[C@H](C[C@H](C)O)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000866633771 633222650 /nfs/dbraw/zinc/22/26/50/633222650.db2.gz LSXMDGQQZXFRKK-SUHUHFCYSA-N 0 0 269.360 3.122 20 10 CGCDRN CC[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000824574905 633260496 /nfs/dbraw/zinc/26/04/96/633260496.db2.gz QANKFXQNECDCQK-HNNXBMFYSA-N 0 0 288.351 3.158 20 10 CGCDRN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000824636972 633266520 /nfs/dbraw/zinc/26/65/20/633266520.db2.gz VUTIRVJUMARUGD-RDJZCZTQSA-N 0 0 285.387 3.138 20 10 CGCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]2C2CC2)c1O ZINC000824651029 633268412 /nfs/dbraw/zinc/26/84/12/633268412.db2.gz SPLVIHKNYJQLRA-LBPRGKRZSA-N 0 0 267.756 3.039 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCC3(C)C)ccc21 ZINC000824676638 633271786 /nfs/dbraw/zinc/27/17/86/633271786.db2.gz NWTLXQZTFBAFBK-OAHLLOKOSA-N 0 0 286.419 3.121 20 10 CGCDRN COCCN(Cc1cc(Cl)c(C)cc1O)CC(F)F ZINC000824689597 633273414 /nfs/dbraw/zinc/27/34/14/633273414.db2.gz PRVHFPVMYPTOMD-UHFFFAOYSA-N 0 0 293.741 3.068 20 10 CGCDRN C[C@H](NC(=O)NCCc1ccsc1)c1ccccc1O ZINC000868039169 633291407 /nfs/dbraw/zinc/29/14/07/633291407.db2.gz OCWHIDSBCCCNOF-NSHDSACASA-N 0 0 290.388 3.057 20 10 CGCDRN Cc1cc(O)c(CN2CCOC3(CCC3)C2)cc1Cl ZINC000824854658 633301415 /nfs/dbraw/zinc/30/14/15/633301415.db2.gz BPGTYDTXIVOZED-UHFFFAOYSA-N 0 0 281.783 3.109 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133718 633331853 /nfs/dbraw/zinc/33/18/53/633331853.db2.gz LTEFTCCDHRUVRW-OAHLLOKOSA-N 0 0 299.773 3.187 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215274 633336282 /nfs/dbraw/zinc/33/62/82/633336282.db2.gz KRNYQXILWWMEDA-OAHLLOKOSA-N 0 0 281.396 3.250 20 10 CGCDRN C[C@H](NC(=O)NC[C@H]1CC[C@H](C)C1)c1ccccc1O ZINC000868565845 633336862 /nfs/dbraw/zinc/33/68/62/633336862.db2.gz DFEHFQSUFXOHGU-AVGNSLFASA-N 0 0 276.380 3.189 20 10 CGCDRN CCc1cc(NCc2cc(Cl)c(C)cc2O)n(C)n1 ZINC000825436312 633353733 /nfs/dbraw/zinc/35/37/33/633353733.db2.gz RNBNEQRRPMJBEI-UHFFFAOYSA-N 0 0 279.771 3.262 20 10 CGCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000825838679 633383165 /nfs/dbraw/zinc/38/31/65/633383165.db2.gz FFCDERONHFMQHA-IUODEOHRSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@@H](NC(=O)NCC[C@@H]1CCCS1)c1ccccc1O ZINC000868973243 633386023 /nfs/dbraw/zinc/38/60/23/633386023.db2.gz RJNMLFUISIXZDM-NEPJUHHUSA-N 0 0 294.420 3.038 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1F ZINC000826538706 633412429 /nfs/dbraw/zinc/41/24/29/633412429.db2.gz ILPOLCORSVTXSG-ZFWWWQNUSA-N 0 0 262.372 3.266 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CCCF)cc1F ZINC000826942852 633444939 /nfs/dbraw/zinc/44/49/39/633444939.db2.gz SZGPANJUNHHSCU-UHFFFAOYSA-N 0 0 284.350 3.038 20 10 CGCDRN C/C(=C/C(=O)N1CC(C)(C)c2ccccc21)c1cnccn1 ZINC000827035578 633450746 /nfs/dbraw/zinc/45/07/46/633450746.db2.gz QRDMZVZBLAPFFX-RAXLEYEMSA-N 0 0 293.370 3.204 20 10 CGCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000827252120 633476391 /nfs/dbraw/zinc/47/63/91/633476391.db2.gz XDSREUHMVYGNAD-MWLCHTKSSA-N 0 0 287.762 3.232 20 10 CGCDRN CCN(Cc1cc(C)ccc1O)c1cccc(O)c1 ZINC000827908248 633533045 /nfs/dbraw/zinc/53/30/45/633533045.db2.gz NCMQADZXDCNSDY-UHFFFAOYSA-N 0 0 257.333 3.433 20 10 CGCDRN COc1cc(CC(=O)N[C@H](C)c2ccccc2O)ccc1C ZINC000827923055 633534549 /nfs/dbraw/zinc/53/45/49/633534549.db2.gz IUWRAEUAJBSOCO-CYBMUJFWSA-N 0 0 299.370 3.129 20 10 CGCDRN CC(C)C[C@H](C)OCCC(=O)N[C@H](C)c1ccccc1O ZINC000827936753 633536751 /nfs/dbraw/zinc/53/67/51/633536751.db2.gz CEAIORBDEHTVQP-UONOGXRCSA-N 0 0 293.407 3.411 20 10 CGCDRN CCc1ccc(CC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827937473 633537486 /nfs/dbraw/zinc/53/74/86/633537486.db2.gz XUWQFLJJWMYFAO-CYBMUJFWSA-N 0 0 283.371 3.375 20 10 CGCDRN CC[C@H](C)CC[C@H](O)CC(=O)N[C@H](C)c1ccccc1O ZINC000827947008 633538909 /nfs/dbraw/zinc/53/89/09/633538909.db2.gz XZJWDHDFHLZRLT-MJBXVCDLSA-N 0 0 293.407 3.147 20 10 CGCDRN C[C@@H](NC(=O)[C@]1(C)CCc2ccccc21)c1ccccc1O ZINC000827952032 633539066 /nfs/dbraw/zinc/53/90/66/633539066.db2.gz DROCNTPBSPWWEL-BFUOFWGJSA-N 0 0 295.382 3.474 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1O ZINC000827952148 633539072 /nfs/dbraw/zinc/53/90/72/633539072.db2.gz HSRFCGJYDXDOIQ-XZNOPERXSA-N 0 0 273.376 3.396 20 10 CGCDRN C[C@@H](NC(=O)c1cccc2c1O[C@H](C)C2)c1ccccc1O ZINC000827952526 633539502 /nfs/dbraw/zinc/53/95/02/633539502.db2.gz WOPLIARTUCRXKM-VXGBXAGGSA-N 0 0 297.354 3.207 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)O2)c1ccccc1O ZINC000827957619 633540761 /nfs/dbraw/zinc/54/07/61/633540761.db2.gz WTPAAWIVARHEGN-VXGBXAGGSA-N 0 0 297.354 3.207 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccc1O ZINC000827957044 633540795 /nfs/dbraw/zinc/54/07/95/633540795.db2.gz RNYUWMXLJXGPPV-FPRZBMBHSA-N 0 0 293.366 3.155 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000827960421 633541247 /nfs/dbraw/zinc/54/12/47/633541247.db2.gz OWYPJHHEWXVYHX-AGIUHOORSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1cccs1 ZINC000827972849 633542743 /nfs/dbraw/zinc/54/27/43/633542743.db2.gz AUVICMGVLAPAIW-QWRGUYRKSA-N 0 0 275.373 3.435 20 10 CGCDRN COc1cccc(CCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827982529 633544124 /nfs/dbraw/zinc/54/41/24/633544124.db2.gz XOBQJBLOFHLGJW-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN CCCONC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000828271994 633600890 /nfs/dbraw/zinc/60/08/90/633600890.db2.gz CUUISEMECNFHPB-UHFFFAOYSA-N 0 0 293.411 3.014 20 10 CGCDRN Nc1ccc(OCc2cn(CC3CC4(CCC4)C3)nn2)cc1 ZINC000881426866 636108435 /nfs/dbraw/zinc/10/84/35/636108435.db2.gz VXTAKXMEKOKOHM-UHFFFAOYSA-N 0 0 298.390 3.020 20 10 CGCDRN Cc1scc(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC000871202964 633723250 /nfs/dbraw/zinc/72/32/50/633723250.db2.gz IBQMHCGRTUMGPE-UHFFFAOYSA-N 0 0 273.357 3.227 20 10 CGCDRN C[C@@H](CC1CCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202736 633723826 /nfs/dbraw/zinc/72/38/26/633723826.db2.gz NABLHEMLJUUCKD-LBPRGKRZSA-N 0 0 273.376 3.451 20 10 CGCDRN CC(C)(C)C1CC(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871206034 633725721 /nfs/dbraw/zinc/72/57/21/633725721.db2.gz PANMULCAHRIGGC-UHFFFAOYSA-N 0 0 273.376 3.307 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000830141105 633831826 /nfs/dbraw/zinc/83/18/26/633831826.db2.gz MXNNLTOOPMDXFV-MRXNPFEDSA-N 0 0 299.345 3.220 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2cccc(C(C)C)c2)c1 ZINC000830545612 633870518 /nfs/dbraw/zinc/87/05/18/633870518.db2.gz ZYBXECBDKKPJHL-UHFFFAOYSA-N 0 0 299.370 3.454 20 10 CGCDRN COc1ccc(O)c(CNC(=O)O[C@@H](C)CC(C)C)c1 ZINC000830638799 633877382 /nfs/dbraw/zinc/87/73/82/633877382.db2.gz SRRXRAIFNZBVDA-NSHDSACASA-N 0 0 281.352 3.062 20 10 CGCDRN CC(C)Nc1ccccc1N[C@@H]1CCN(C2CCC2)C1=O ZINC000871846434 633891638 /nfs/dbraw/zinc/89/16/38/633891638.db2.gz NZACXCHGBFQYNY-MRXNPFEDSA-N 0 0 287.407 3.072 20 10 CGCDRN CCCOc1ccc(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000871871087 633905109 /nfs/dbraw/zinc/90/51/09/633905109.db2.gz CEBKUASICXBRRS-OAHLLOKOSA-N 0 0 293.407 3.230 20 10 CGCDRN CN(Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2 ZINC000121397553 633951032 /nfs/dbraw/zinc/95/10/32/633951032.db2.gz CKWUNRXNMQZBCT-UHFFFAOYSA-N 0 0 282.299 3.193 20 10 CGCDRN COc1ccc(N(Cc2ccnc(C)n2)CC2CC2)cc1 ZINC000831587834 633980531 /nfs/dbraw/zinc/98/05/31/633980531.db2.gz MURACMYULLAIMY-UHFFFAOYSA-N 0 0 283.375 3.210 20 10 CGCDRN C/C(=C\C(=O)N1CCCCc2sccc21)c1cnccn1 ZINC000831686889 633991945 /nfs/dbraw/zinc/99/19/45/633991945.db2.gz CWTPOOILOQCBDC-ZRDIBKRKSA-N 0 0 299.399 3.311 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1ccc(F)cc1[O-] ZINC000872133073 634055093 /nfs/dbraw/zinc/05/50/93/634055093.db2.gz JXXHJFKACLDNFF-RISCZKNCSA-N 0 0 289.354 3.432 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000834828710 634249725 /nfs/dbraw/zinc/24/97/25/634249725.db2.gz XNBNVCKRARVNKF-GXFFZTMASA-N 0 0 256.340 3.447 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2=CCCCC2)c1 ZINC000834834569 634252595 /nfs/dbraw/zinc/25/25/95/634252595.db2.gz CNAHEFWOHJGEEU-LBPRGKRZSA-N 0 0 289.375 3.330 20 10 CGCDRN C[C@H]([NH2+]CC1=CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834834917 634253068 /nfs/dbraw/zinc/25/30/68/634253068.db2.gz FOMZTWKUVQSOEK-NSHDSACASA-N 0 0 276.336 3.451 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834880844 634264714 /nfs/dbraw/zinc/26/47/14/634264714.db2.gz DNHICNZPKWUZNM-QMMMGPOBSA-N 0 0 298.358 3.329 20 10 CGCDRN Cc1cccnc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834885605 634266586 /nfs/dbraw/zinc/26/65/86/634266586.db2.gz KYTPRQHFHWLHAM-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN CCOc1ccc(CNCc2ncc(Cl)s2)c(O)c1 ZINC000873164647 634268446 /nfs/dbraw/zinc/26/84/46/634268446.db2.gz CENLJWRPHXSRJC-UHFFFAOYSA-N 0 0 298.795 3.191 20 10 CGCDRN CCc1nc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)co1 ZINC000834896511 634273561 /nfs/dbraw/zinc/27/35/61/634273561.db2.gz CRPHAWBYCKSRGB-BXKDBHETSA-N 0 0 290.338 3.420 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1ccc(F)cc1[O-] ZINC000834903990 634281169 /nfs/dbraw/zinc/28/11/69/634281169.db2.gz MQPNFCBXFUUUDQ-OOVXXXAESA-N 0 0 281.371 3.386 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000834909535 634284694 /nfs/dbraw/zinc/28/46/94/634284694.db2.gz LNPTVOMKRQVBSC-NEPJUHHUSA-N 0 0 281.371 3.387 20 10 CGCDRN CN(C)c1ccc(/C=C/CN(C)Cc2cscn2)cc1 ZINC000835029173 634325791 /nfs/dbraw/zinc/32/57/91/634325791.db2.gz VMLULSDUNZBRNF-SNAWJCMRSA-N 0 0 287.432 3.354 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000835047449 634334408 /nfs/dbraw/zinc/33/44/08/634334408.db2.gz HQQAMRJFZIBYTQ-NJELEJDNSA-N 0 0 296.418 3.326 20 10 CGCDRN CC(C)COC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876628324 634871142 /nfs/dbraw/zinc/87/11/42/634871142.db2.gz ZBQNTUGOORBVAJ-UHFFFAOYSA-N 0 0 299.361 3.307 20 10 CGCDRN CC[C@@H](CC(F)F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000837321184 634885914 /nfs/dbraw/zinc/88/59/14/634885914.db2.gz QVMKCIAOGHXCKV-ZDUSSCGKSA-N 0 0 298.377 3.392 20 10 CGCDRN CC(C)N(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC000126214147 634921602 /nfs/dbraw/zinc/92/16/02/634921602.db2.gz BXRKMLDENJWVDF-UHFFFAOYSA-N 0 0 285.343 3.149 20 10 CGCDRN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877019731 634952171 /nfs/dbraw/zinc/95/21/71/634952171.db2.gz QDHMZLDZBFMSGK-JTQLQIEISA-N 0 0 293.313 3.097 20 10 CGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC000877043812 634961760 /nfs/dbraw/zinc/96/17/60/634961760.db2.gz OLWJUPAUAYSCAG-STQMWFEESA-N 0 0 297.345 3.108 20 10 CGCDRN Cc1c(NCc2ccc(C)cc2O)cnn1CC(C)C ZINC000877134860 634997681 /nfs/dbraw/zinc/99/76/81/634997681.db2.gz ZXDAMCTYDSSHJY-UHFFFAOYSA-N 0 0 273.380 3.474 20 10 CGCDRN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877141984 634999508 /nfs/dbraw/zinc/99/95/08/634999508.db2.gz OBGBCIYUMMUEIR-QWHCGFSZSA-N 0 0 299.361 3.354 20 10 CGCDRN COCC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000877183479 635009309 /nfs/dbraw/zinc/00/93/09/635009309.db2.gz FESALMDMMQOTPF-GFCCVEGCSA-N 0 0 297.301 3.131 20 10 CGCDRN CO[C@H]1Cc2ccc(NCc3ccc(C)cc3O)cc2C1 ZINC000877306467 635022225 /nfs/dbraw/zinc/02/22/25/635022225.db2.gz RRKQMRKWVZVFAD-KRWDZBQOSA-N 0 0 283.371 3.426 20 10 CGCDRN CC[C@H](N[C@@H](C)c1csnn1)c1ccc(N(C)C)cc1 ZINC000840885336 635074641 /nfs/dbraw/zinc/07/46/41/635074641.db2.gz CCSKNPBBPDCZJY-FZMZJTMJSA-N 0 0 290.436 3.406 20 10 CGCDRN CSC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877547777 635083480 /nfs/dbraw/zinc/08/34/80/635083480.db2.gz JTQMJXSCTVBEDB-SNVBAGLBSA-N 0 0 287.375 3.245 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CS1 ZINC000840958114 635093509 /nfs/dbraw/zinc/09/35/09/635093509.db2.gz IYFUKJIAZKDFMX-OIBJUYFYSA-N 0 0 275.776 3.168 20 10 CGCDRN CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877575728 635098993 /nfs/dbraw/zinc/09/89/93/635098993.db2.gz CEKIVRHZJGDRFP-CHWSQXEVSA-N 0 0 285.334 3.108 20 10 CGCDRN NC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000841039261 635112414 /nfs/dbraw/zinc/11/24/14/635112414.db2.gz HNBDFIWEGVXAGR-CQSZACIVSA-N 0 0 282.815 3.043 20 10 CGCDRN Nc1ccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000841040270 635112458 /nfs/dbraw/zinc/11/24/58/635112458.db2.gz MZNOMZFQPMPFEL-SFHVURJKSA-N 0 0 298.386 3.439 20 10 CGCDRN COCC1(C2CC2)C[NH+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877685659 635146293 /nfs/dbraw/zinc/14/62/93/635146293.db2.gz DQZWZURUCFQBDJ-UHFFFAOYSA-N 0 0 299.773 3.043 20 10 CGCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)CC12CCC2 ZINC000841296776 635148488 /nfs/dbraw/zinc/14/84/88/635148488.db2.gz YTMQHUMFFRFTJG-LBPRGKRZSA-N 0 0 273.380 3.313 20 10 CGCDRN CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841296825 635148506 /nfs/dbraw/zinc/14/85/06/635148506.db2.gz ZJGMSSFTNOHQDD-NSHDSACASA-N 0 0 284.363 3.109 20 10 CGCDRN CN(C[C@@H]1CC=CCC1)C(=O)Nc1ccc(N)cc1 ZINC000841296827 635148661 /nfs/dbraw/zinc/14/86/61/635148661.db2.gz ZMSFBPRHWFZKPC-GFCCVEGCSA-N 0 0 259.353 3.089 20 10 CGCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCCO1 ZINC000877702376 635154111 /nfs/dbraw/zinc/15/41/11/635154111.db2.gz QVKIPINVHKRYGO-LBPRGKRZSA-N 0 0 285.334 3.108 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743946 635221494 /nfs/dbraw/zinc/22/14/94/635221494.db2.gz LETGFILUVSWZQH-SNVBAGLBSA-N 0 0 270.804 3.036 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841744772 635221689 /nfs/dbraw/zinc/22/16/89/635221689.db2.gz LAQDAKJSDGCKEU-GHMZBOCLSA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841752970 635227665 /nfs/dbraw/zinc/22/76/65/635227665.db2.gz RMSCLVRTWLIHFE-NSHDSACASA-N 0 0 283.799 3.249 20 10 CGCDRN COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754963 635228290 /nfs/dbraw/zinc/22/82/90/635228290.db2.gz DYKIXSCOIIDVEP-GHMZBOCLSA-N 0 0 271.788 3.369 20 10 CGCDRN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756929 635230069 /nfs/dbraw/zinc/23/00/69/635230069.db2.gz LPFGRWXCIHAKLV-MNOVXSKESA-N 0 0 293.798 3.061 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841756731 635230266 /nfs/dbraw/zinc/23/02/66/635230266.db2.gz JOZSLPPDOFVDOU-HOTUBEGUSA-N 0 0 271.813 3.448 20 10 CGCDRN Cc1ccc2c(c1)N[C@@H](c1ccc(N(C)C)c(F)c1)NC2=O ZINC000877863884 635245420 /nfs/dbraw/zinc/24/54/20/635245420.db2.gz JRYKKWGJKCJDSP-MRXNPFEDSA-N 0 0 299.349 3.054 20 10 CGCDRN COc1ccc(N(C)CCOCC2CCC2)cc1F ZINC000842153403 635298213 /nfs/dbraw/zinc/29/82/13/635298213.db2.gz SYMFPDDFRDMEFW-UHFFFAOYSA-N 0 0 267.344 3.087 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)co1 ZINC000878008644 635318114 /nfs/dbraw/zinc/31/81/14/635318114.db2.gz LYQUTXGDHBGCML-UHFFFAOYSA-N 0 0 286.375 3.316 20 10 CGCDRN CCC(C)(C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000104900956 635466686 /nfs/dbraw/zinc/46/66/86/635466686.db2.gz MCNRQKFQALBEKX-SNVBAGLBSA-N 0 0 265.353 3.014 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000843255725 635627207 /nfs/dbraw/zinc/62/72/07/635627207.db2.gz CLEOOFVTHQTMCT-CVEARBPZSA-N 0 0 272.392 3.101 20 10 CGCDRN CC[C@H]1CCC[C@]1(C)C(=O)NCc1cc(OC)ccc1O ZINC000878852151 635642873 /nfs/dbraw/zinc/64/28/73/635642873.db2.gz FAQCILUALBHMNB-GUYCJALGSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(C)n1 ZINC000878908262 635655288 /nfs/dbraw/zinc/65/52/88/635655288.db2.gz MAONHFJVXWIODB-NSHDSACASA-N 0 0 285.347 3.287 20 10 CGCDRN CC(C)c1noc([C@@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879651995 635828677 /nfs/dbraw/zinc/82/86/77/635828677.db2.gz SLGBQFWZPLLJMY-WDEREUQCSA-N 0 0 275.352 3.310 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C(C)(C)C)o2)cc1 ZINC000844353267 635877444 /nfs/dbraw/zinc/87/74/44/635877444.db2.gz JTELOFKEIGFCFH-UHFFFAOYSA-N 0 0 275.352 3.012 20 10 CGCDRN COc1ccc(N(C)Cc2sc(C)nc2C)cc1 ZINC000844353308 635877687 /nfs/dbraw/zinc/87/76/87/635877687.db2.gz MBWJOMCATIETGB-UHFFFAOYSA-N 0 0 262.378 3.405 20 10 CGCDRN COC(=O)c1cc(CN(C)c2ccc(OC)cc2)c(C)o1 ZINC000844353471 635878590 /nfs/dbraw/zinc/87/85/90/635878590.db2.gz OXFYWCGZIUXGIJ-UHFFFAOYSA-N 0 0 289.331 3.020 20 10 CGCDRN COCc1ccnc(NCc2cc(C)c(C)cc2O)c1 ZINC000844708617 635956321 /nfs/dbraw/zinc/95/63/21/635956321.db2.gz SISSDMXPWMDPTM-UHFFFAOYSA-N 0 0 272.348 3.163 20 10 CGCDRN COc1cccc(CNC(=O)C[C@@H]2CCC[C@@H](C)C2)c1O ZINC000105650543 635976767 /nfs/dbraw/zinc/97/67/67/635976767.db2.gz RXFFQQQIOXHDEU-CHWSQXEVSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@](CO)([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000128585554 636042396 /nfs/dbraw/zinc/04/23/96/636042396.db2.gz AGHFTYVCKWFJAF-MRXNPFEDSA-N 0 0 291.778 3.043 20 10 CGCDRN CC(C)c1noc(NCc2cc(Cl)ccc2O)n1 ZINC000845709516 636084476 /nfs/dbraw/zinc/08/44/76/636084476.db2.gz SSVSCGADKHNMBP-UHFFFAOYSA-N 0 0 267.716 3.164 20 10 CGCDRN CC(C)C[C@@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881317397 636097175 /nfs/dbraw/zinc/09/71/75/636097175.db2.gz RKJWHNCDKCFDGZ-GFCCVEGCSA-N 0 0 274.368 3.046 20 10 CGCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000846016753 636130041 /nfs/dbraw/zinc/13/00/41/636130041.db2.gz JGYHUDGNCAWYNQ-NOZJJQNGSA-N 0 0 289.778 3.071 20 10 CGCDRN COc1cccc([C@H](C)Nc2ccc(CCO)cc2)c1O ZINC000846158995 636150452 /nfs/dbraw/zinc/15/04/52/636150452.db2.gz CNEGSJXFQZDTPB-LBPRGKRZSA-N 0 0 287.359 3.109 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000846214219 636160162 /nfs/dbraw/zinc/16/01/62/636160162.db2.gz YHJZCMONSONHFG-ZDUSSCGKSA-N 0 0 285.391 3.467 20 10 CGCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1cc(Cl)ccc1O ZINC000846475705 636188169 /nfs/dbraw/zinc/18/81/69/636188169.db2.gz GIXBCXUVMNOWJX-ZETCQYMHSA-N 0 0 295.688 3.250 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1C1CCC1 ZINC000846476088 636189177 /nfs/dbraw/zinc/18/91/77/636189177.db2.gz IPXLUQRIIGMKTI-QWHCGFSZSA-N 0 0 279.767 3.098 20 10 CGCDRN CC(C)CCC(=O)NCc1cc(Cl)ccc1O ZINC000846479454 636189694 /nfs/dbraw/zinc/18/96/94/636189694.db2.gz LIBLVQDGWZODNL-UHFFFAOYSA-N 0 0 255.745 3.098 20 10 CGCDRN CCC(C)(C)c1nnc(NCc2cccc(OC)c2O)o1 ZINC000881909352 636215634 /nfs/dbraw/zinc/21/56/34/636215634.db2.gz JHXYUVYDJORICU-UHFFFAOYSA-N 0 0 291.351 3.084 20 10 CGCDRN CCC(C)(C)c1nnc(N(C)Cc2ccccc2O)o1 ZINC000882138931 636268750 /nfs/dbraw/zinc/26/87/50/636268750.db2.gz ONHNMDIKQTYEMQ-UHFFFAOYSA-N 0 0 275.352 3.099 20 10 CGCDRN C=C/C=C/CCSc1ncc(C(=O)OC)s1 ZINC000882173375 636277303 /nfs/dbraw/zinc/27/73/03/636277303.db2.gz HKSQZQJUESVQDB-SNAWJCMRSA-N 0 0 255.364 3.154 20 10 CGCDRN CC(C)(C)c1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000847591430 636401142 /nfs/dbraw/zinc/40/11/42/636401142.db2.gz WJWDMFBRNBCMCH-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN C[C@@H](O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882917634 636462294 /nfs/dbraw/zinc/46/22/94/636462294.db2.gz QYQWBWIBCLFICD-SNVBAGLBSA-N 0 0 293.313 3.014 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNCc1nc(C(C)C)c[nH]1 ZINC000883003624 636502847 /nfs/dbraw/zinc/50/28/47/636502847.db2.gz XTGOQFKKUJHSFF-UHFFFAOYSA-N 0 0 286.423 3.197 20 10 CGCDRN Cc1cccnc1NCc1cc(Br)ccc1O ZINC000130946375 636534672 /nfs/dbraw/zinc/53/46/72/636534672.db2.gz DNOZKZRTAXSFJZ-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN COCC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000883085579 636534997 /nfs/dbraw/zinc/53/49/97/636534997.db2.gz VIGKAWAIKYKENA-ZDUSSCGKSA-N 0 0 297.301 3.131 20 10 CGCDRN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883084458 636535188 /nfs/dbraw/zinc/53/51/88/636535188.db2.gz RWTMAQZDVYOBRW-KBPBESRZSA-N 0 0 299.361 3.354 20 10 CGCDRN C[C@H](NC(=O)N1CCCCCC1)c1ccccc1O ZINC000883121751 636546872 /nfs/dbraw/zinc/54/68/72/636546872.db2.gz QWKAFONWVKMNJO-LBPRGKRZSA-N 0 0 262.353 3.039 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000883162641 636561741 /nfs/dbraw/zinc/56/17/41/636561741.db2.gz ZIUBRMZLJOTSQQ-CYBMUJFWSA-N 0 0 297.345 3.252 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(=O)OC(C)(C)C ZINC000848562346 636607287 /nfs/dbraw/zinc/60/72/87/636607287.db2.gz IBHVEJPSBPPSIW-MNOVXSKESA-N 0 0 297.370 3.160 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000848566595 636609514 /nfs/dbraw/zinc/60/95/14/636609514.db2.gz BVKSFPVPHCGNGB-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000883319905 636670003 /nfs/dbraw/zinc/67/00/03/636670003.db2.gz UQJLXLWDXPAEBD-JBLDHEPKSA-N 0 0 269.772 3.121 20 10 CGCDRN CCc1cccc(CN2CCOC[C@@H]2c2ccco2)c1O ZINC000848884006 636673927 /nfs/dbraw/zinc/67/39/27/636673927.db2.gz GMLRHYMBJWOEKG-OAHLLOKOSA-N 0 0 287.359 3.121 20 10 CGCDRN CCc1cccc(CN2CCC(=O)Nc3ccccc32)c1O ZINC000848913123 636687220 /nfs/dbraw/zinc/68/72/20/636687220.db2.gz OVYZQSOFAKFOEN-UHFFFAOYSA-N 0 0 296.370 3.303 20 10 CGCDRN CCc1cccc(CN2C[C@H](CO)Cc3ccccc32)c1O ZINC000848913417 636687447 /nfs/dbraw/zinc/68/74/47/636687447.db2.gz WHHDKTMZZLVVPI-CQSZACIVSA-N 0 0 297.398 3.126 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CC3(CC3(F)F)C2)cc1 ZINC000848922838 636694596 /nfs/dbraw/zinc/69/45/96/636694596.db2.gz XKYFLQBZNYEXPI-ARJAWSKDSA-N 0 0 278.346 3.107 20 10 CGCDRN CCN(Cc1cc2c(cc1O)OCO2)c1ccccc1C ZINC000131654218 636714845 /nfs/dbraw/zinc/71/48/45/636714845.db2.gz BMTUXEYOHBHGQT-UHFFFAOYSA-N 0 0 285.343 3.456 20 10 CGCDRN C[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(F)cc1[O-] ZINC000883381163 636723642 /nfs/dbraw/zinc/72/36/42/636723642.db2.gz HUFWDBAMSFYDSC-NSHDSACASA-N 0 0 279.355 3.141 20 10 CGCDRN COc1cc(CN[C@@H](C)C(F)F)c(O)c(C(C)(C)C)c1 ZINC000883406837 636746041 /nfs/dbraw/zinc/74/60/41/636746041.db2.gz CALDNIHFOUOAOG-VIFPVBQESA-N 0 0 287.350 3.442 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc(C2CCC2)o1 ZINC000849165367 636758670 /nfs/dbraw/zinc/75/86/70/636758670.db2.gz IUQOLZOKNPLXTI-UHFFFAOYSA-N 0 0 286.379 3.324 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000085060909 636769911 /nfs/dbraw/zinc/76/99/11/636769911.db2.gz IBSBOPGQXXNBGL-UHIISALHSA-N 0 0 261.369 3.215 20 10 CGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N)cc1 ZINC000883509078 636775582 /nfs/dbraw/zinc/77/55/82/636775582.db2.gz MPNWIUCXPDSJON-CZUORRHYSA-N 0 0 260.381 3.101 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCO1 ZINC000132655730 636827448 /nfs/dbraw/zinc/82/74/48/636827448.db2.gz HTLZFKLJBHXZPC-CYBMUJFWSA-N 0 0 269.772 3.047 20 10 CGCDRN CCOC(=O)/C=C/CSc1ncc(Cl)s1 ZINC000850000026 636925183 /nfs/dbraw/zinc/92/51/83/636925183.db2.gz GZXHRQWSKLJEMO-ONEGZZNKSA-N 0 0 263.771 3.008 20 10 CGCDRN Cc1nnc([C@@H](C)Sc2ncc(Cl)s2)[nH]1 ZINC000850001967 636926042 /nfs/dbraw/zinc/92/60/42/636926042.db2.gz QEPTZLRUUIBPHF-SCSAIBSYSA-N 0 0 260.775 3.076 20 10 CGCDRN Oc1ccccc1CNc1ncnc2sccc21 ZINC000133741045 636973183 /nfs/dbraw/zinc/97/31/83/636973183.db2.gz MAICKQHJVLCXJF-UHFFFAOYSA-N 0 0 257.318 3.009 20 10 CGCDRN O=C(NCc1ccccc1O)c1nc(Cl)ccc1Cl ZINC000133761941 636974470 /nfs/dbraw/zinc/97/44/70/636974470.db2.gz VFSAVZHBILATMB-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN C[C@@H]([NH2+]C1CC1)c1cc(Br)cc(F)c1[O-] ZINC000134901508 637048293 /nfs/dbraw/zinc/04/82/93/637048293.db2.gz DHQDHRGAZHNGET-ZCFIWIBFSA-N 0 0 274.133 3.107 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000850492278 637089669 /nfs/dbraw/zinc/08/96/69/637089669.db2.gz CIPWBTHRDTZDEM-PWSUYJOCSA-N 0 0 298.377 3.194 20 10 CGCDRN CC[C@@H]([NH2+]C/C=C/CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000850509980 637096182 /nfs/dbraw/zinc/09/61/82/637096182.db2.gz UTZUVXLYLQHPMQ-PGLGOXFNSA-N 0 0 290.190 3.288 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cscn1 ZINC000850511245 637097325 /nfs/dbraw/zinc/09/73/25/637097325.db2.gz AEXVKSCEXZVYSW-DTWKUNHWSA-N 0 0 293.348 3.169 20 10 CGCDRN C[C@@H](NCc1ncccn1)c1ccc(N2CCCCC2)cc1 ZINC000850552645 637119400 /nfs/dbraw/zinc/11/94/00/637119400.db2.gz PCUHLGZYORFKMJ-OAHLLOKOSA-N 0 0 296.418 3.318 20 10 CGCDRN C[C@H]([NH2+]CCCc1ccco1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850569475 637128123 /nfs/dbraw/zinc/12/81/23/637128123.db2.gz FTEGYIWUKUWGGX-NSHDSACASA-N 0 0 290.319 3.177 20 10 CGCDRN C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000850583226 637133295 /nfs/dbraw/zinc/13/32/95/637133295.db2.gz JQCQDAARIGMSLZ-NVGCLXPQSA-N 0 0 289.350 3.304 20 10 CGCDRN c1csc(SCc2noc(-c3ccccc3)n2)n1 ZINC000109717753 637228858 /nfs/dbraw/zinc/22/88/58/637228858.db2.gz SENOOXAOGDUUNG-UHFFFAOYSA-N 0 0 275.358 3.485 20 10 CGCDRN CC(C)(CC(F)(F)F)C(=O)Nc1ccc(N)cc1 ZINC000851633809 637463088 /nfs/dbraw/zinc/46/30/88/637463088.db2.gz UVOWPMFZGTVUPE-UHFFFAOYSA-N 0 0 260.259 3.186 20 10 CGCDRN COc1ccc(N(C)CC=C(Cl)Cl)cc1OC ZINC000851734084 637482381 /nfs/dbraw/zinc/48/23/81/637482381.db2.gz AGUACGGJCQHIHI-UHFFFAOYSA-N 0 0 276.163 3.459 20 10 CGCDRN C[C@H]([NH2+]CCc1ccccc1O)c1c([O-])cccc1F ZINC000886521366 637551190 /nfs/dbraw/zinc/55/11/90/637551190.db2.gz ZKERKCPTVYPZRR-NSHDSACASA-N 0 0 275.323 3.130 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(C)(C)C ZINC000886534274 637560021 /nfs/dbraw/zinc/56/00/21/637560021.db2.gz FELACUKDKPMBGJ-GWCFXTLKSA-N 0 0 269.360 3.243 20 10 CGCDRN COC1CCC(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886536137 637562344 /nfs/dbraw/zinc/56/23/44/637562344.db2.gz BHHDCCCDYHISTJ-PNESKVBLSA-N 0 0 281.371 3.387 20 10 CGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886554839 637577458 /nfs/dbraw/zinc/57/74/58/637577458.db2.gz DPBPKTIWMNMBHL-NHYWBVRUSA-N 0 0 283.387 3.225 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000886555685 637580169 /nfs/dbraw/zinc/58/01/69/637580169.db2.gz YVPXSDFSZGAXDD-MNOVXSKESA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886561914 637582527 /nfs/dbraw/zinc/58/25/27/637582527.db2.gz MLVSNRKTZPFLPQ-NXEZZACHSA-N 0 0 257.374 3.324 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1c([O-])cccc1F ZINC000886562394 637582758 /nfs/dbraw/zinc/58/27/58/637582758.db2.gz YLPLKFRPPJNTOO-QMMBQJITSA-N 0 0 291.366 3.140 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1c([O-])cccc1F ZINC000886591729 637596777 /nfs/dbraw/zinc/59/67/77/637596777.db2.gz AFFNJZACOWTNDD-JVLSTEMRSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1c([O-])cccc1F ZINC000886592572 637597256 /nfs/dbraw/zinc/59/72/56/637597256.db2.gz XNCOMJWBGRCREP-JECHBYEQSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H](O)c1ccccc1 ZINC000886610463 637603191 /nfs/dbraw/zinc/60/31/91/637603191.db2.gz BRLHRVAOQOBUMS-XWCIJXRUSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@H](Nc1cccc(CCO)c1)c1c(O)cccc1F ZINC000886622662 637614759 /nfs/dbraw/zinc/61/47/59/637614759.db2.gz ZPNXNWKEQVLZQN-NSHDSACASA-N 0 0 275.323 3.239 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)[C@@H]1SC ZINC000886631866 637619943 /nfs/dbraw/zinc/61/99/43/637619943.db2.gz YFMWDQZIGAZLPO-XKFJNSEWSA-N 0 0 299.411 3.091 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886635165 637621713 /nfs/dbraw/zinc/62/17/13/637621713.db2.gz XSJLMPCHJWTXLO-NEPJUHHUSA-N 0 0 274.339 3.208 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1c([O-])cccc1F ZINC000886646536 637626125 /nfs/dbraw/zinc/62/61/25/637626125.db2.gz MFPTZKLEQCXWMK-UBHSHLNASA-N 0 0 293.382 3.245 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1c([O-])cccc1F ZINC000886646921 637627252 /nfs/dbraw/zinc/62/72/52/637627252.db2.gz XPAHQLPGEMAUSH-LKEWCRSYSA-N 0 0 263.234 3.133 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cc(F)cc(F)c1[O-] ZINC000886684227 637650568 /nfs/dbraw/zinc/65/05/68/637650568.db2.gz HUVQSRGDIGEELQ-MRVPVSSYSA-N 0 0 294.301 3.387 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CC(C)(C)C1 ZINC000852699524 637698378 /nfs/dbraw/zinc/69/83/78/637698378.db2.gz QFVWBIQCVCZMBE-UHFFFAOYSA-N 0 0 289.423 3.049 20 10 CGCDRN CN(Cc1ccccc1O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111235960 637804548 /nfs/dbraw/zinc/80/45/48/637804548.db2.gz OVFPMNDDYVNSMQ-UHFFFAOYSA-N 0 0 290.294 3.072 20 10 CGCDRN Cc1ccc(CC2CN(C(=O)C3=CC(=O)CS3)C2)cc1 ZINC000855865201 638269674 /nfs/dbraw/zinc/26/96/74/638269674.db2.gz YTPJDAMSAGWAGB-UHFFFAOYSA-N 0 0 287.384 3.077 20 10 CGCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)C2=CC(=O)CS2)C1 ZINC000855932234 638280058 /nfs/dbraw/zinc/28/00/58/638280058.db2.gz FBVQTNLOLZCHRF-NXEZZACHSA-N 0 0 253.367 3.104 20 10 CGCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)CCC(C)C)c1 ZINC000114582210 638380039 /nfs/dbraw/zinc/38/00/39/638380039.db2.gz SKVZHRBKXXNUDK-LBPRGKRZSA-N 0 0 294.395 3.025 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000857059729 638446395 /nfs/dbraw/zinc/44/63/95/638446395.db2.gz YBKPVZSXRRSWHE-QMMMGPOBSA-N 0 0 279.689 3.320 20 10 CGCDRN Cc1ccsc1CNC(=O)NCc1cc(C)ccc1O ZINC000858159684 638647394 /nfs/dbraw/zinc/64/73/94/638647394.db2.gz BVGBKLHFPMNJMI-UHFFFAOYSA-N 0 0 290.388 3.070 20 10 CGCDRN C[C@@H](NC(=O)NCC1CC=CC1)c1ccc(N(C)C)cc1 ZINC000858368358 638695493 /nfs/dbraw/zinc/69/54/93/638695493.db2.gz JXQRSARIIITEBA-CYBMUJFWSA-N 0 0 287.407 3.079 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC2CC(C(C)(C)C)C2)c1 ZINC000858491048 638741224 /nfs/dbraw/zinc/74/12/24/638741224.db2.gz WGWPPKOISYTCGM-UHFFFAOYSA-N 0 0 290.407 3.325 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000858546795 638758340 /nfs/dbraw/zinc/75/83/40/638758340.db2.gz FMRDKCJYWKIISH-NOLJZWGESA-N 0 0 279.355 3.140 20 10 CGCDRN Cc1ccc(CN(C)c2ccc3c(c2)OCO3)c(C)n1 ZINC000187334634 638790281 /nfs/dbraw/zinc/79/02/81/638790281.db2.gz ROAKSDBEEGOTBQ-UHFFFAOYSA-N 0 0 270.332 3.064 20 10 CGCDRN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(F)cc1[O-] ZINC000927165192 638849633 /nfs/dbraw/zinc/84/96/33/638849633.db2.gz ZYYYLOBNJNPRCW-ABAIWWIYSA-N 0 0 279.355 3.284 20 10 CGCDRN CC(C)c1ncc(C(=O)NCc2c(O)cccc2F)s1 ZINC000928706517 638889456 /nfs/dbraw/zinc/88/94/56/638889456.db2.gz VLUSWDMTYZSJBB-UHFFFAOYSA-N 0 0 294.351 3.041 20 10 CGCDRN Cc1nc(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000929294928 638916577 /nfs/dbraw/zinc/91/65/77/638916577.db2.gz GYQSRSQRRVELBS-UHFFFAOYSA-N 0 0 298.434 3.257 20 10 CGCDRN CCCOC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000859192246 639105104 /nfs/dbraw/zinc/10/51/04/639105104.db2.gz LXJYHJNNGQFWTM-ZDUSSCGKSA-N 0 0 278.396 3.128 20 10 CGCDRN O=C(/C=C/C1CCCC1)NCc1ccc2cccnc2c1O ZINC000862024807 639634570 /nfs/dbraw/zinc/63/45/70/639634570.db2.gz HFOKFMIFQKZKJV-JXMROGBWSA-N 0 0 296.370 3.303 20 10 CGCDRN C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862025833 639635168 /nfs/dbraw/zinc/63/51/68/639635168.db2.gz BGLUCABXXROHEH-XIKOKIGWSA-N 0 0 298.386 3.383 20 10 CGCDRN CC(C)CN(CC(C)C)C(=O)Nc1ccc(N)cc1 ZINC000042034698 639910536 /nfs/dbraw/zinc/91/05/36/639910536.db2.gz SNSVSQZIJNDTGJ-UHFFFAOYSA-N 0 0 263.385 3.415 20 10 CGCDRN C[C@@H](C1CC1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155683920 639944796 /nfs/dbraw/zinc/94/47/96/639944796.db2.gz CJOZYFRRBKLXQW-AWEZNQCLSA-N 0 0 299.418 3.003 20 10 CGCDRN CCC[C@@H](C(=O)NCc1cc(OC)ccc1O)C(C)C ZINC000158442991 640004960 /nfs/dbraw/zinc/00/49/60/640004960.db2.gz BFOZYRXROCTJCY-CQSZACIVSA-N 0 0 279.380 3.089 20 10 CGCDRN Cc1nc(NC(=O)N(C)Cc2ccccc2O)sc1C ZINC000047377864 640013022 /nfs/dbraw/zinc/01/30/22/640013022.db2.gz FYZQEAJLLAZISU-UHFFFAOYSA-N 0 0 291.376 3.129 20 10 CGCDRN O=C(CC1CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000075159396 640122315 /nfs/dbraw/zinc/12/23/15/640122315.db2.gz QCZDNXMPVCQYHN-UHFFFAOYSA-N 0 0 287.403 3.468 20 10 CGCDRN CC1(C)C[NH+](Cc2cccc(Cl)c2[O-])CC(C)(C)O1 ZINC000189658850 640203602 /nfs/dbraw/zinc/20/36/02/640203602.db2.gz SGZFUNLLYWAESL-UHFFFAOYSA-N 0 0 283.799 3.435 20 10 CGCDRN COc1ccc(O)c(CNc2cnn([C@H](C)C3CC3)c2)c1 ZINC000189748691 640207199 /nfs/dbraw/zinc/20/71/99/640207199.db2.gz OCCGKEKYPKFMQO-LLVKDONJSA-N 0 0 287.363 3.180 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCCCCCO)cc1 ZINC000191580171 640320661 /nfs/dbraw/zinc/32/06/61/640320661.db2.gz AVSLTDKFUGIOHT-UHFFFAOYSA-N 0 0 265.397 3.463 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCC(=O)c1ccccc1 ZINC000080130055 640451179 /nfs/dbraw/zinc/45/11/79/640451179.db2.gz RFNWWPGPWRMHPA-UHFFFAOYSA-N 0 0 297.354 3.014 20 10 CGCDRN CCN1C(=O)c2ccccc2N[C@H]1c1cc(F)ccc1O ZINC000193501201 640466211 /nfs/dbraw/zinc/46/62/11/640466211.db2.gz TZUFCWOSOHYBMY-OAHLLOKOSA-N 0 0 286.306 3.118 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CC(F)(F)F)cc1 ZINC000193748046 640492924 /nfs/dbraw/zinc/49/29/24/640492924.db2.gz DBNHCRRSVRJJHK-UHFFFAOYSA-N 0 0 288.313 3.101 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)C[C@H](C)O2 ZINC000081389858 640531691 /nfs/dbraw/zinc/53/16/91/640531691.db2.gz FBRUMHZWSNQCDM-OWNNVSBGSA-N 0 0 294.354 3.217 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCC=CO2)cc1Cl ZINC000194602085 640543144 /nfs/dbraw/zinc/54/31/44/640543144.db2.gz NAYWMTGCUHTIPU-GFCCVEGCSA-N 0 0 267.756 3.478 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cnc(C)s1 ZINC000194988844 640561138 /nfs/dbraw/zinc/56/11/38/640561138.db2.gz WAYKPJIZVDUHFY-UHFFFAOYSA-N 0 0 260.362 3.023 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000195601504 640590752 /nfs/dbraw/zinc/59/07/52/640590752.db2.gz YBXDPTQLBWFODJ-GARJFASQSA-N 0 0 284.450 3.319 20 10 CGCDRN Cc1ccc(C)c(NC(=S)NCc2ncccc2C)c1 ZINC000244328998 640614639 /nfs/dbraw/zinc/61/46/39/640614639.db2.gz XMVUGNTTWJQHKS-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN c1csc(SCc2ncn(-c3ccccc3)n2)n1 ZINC000092260949 640733061 /nfs/dbraw/zinc/73/30/61/640733061.db2.gz JRSQLDZIWBGFAJ-UHFFFAOYSA-N 0 0 274.374 3.016 20 10 CGCDRN COCCN(Cc1cc(Cl)ccc1O)CC(F)(F)F ZINC000092645729 640741898 /nfs/dbraw/zinc/74/18/98/640741898.db2.gz UDRMZKFJFMZGJV-UHFFFAOYSA-N 0 0 297.704 3.056 20 10 CGCDRN CCOc1ccc(N(C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000305059740 640877277 /nfs/dbraw/zinc/87/72/77/640877277.db2.gz FCUUGTMDLKUINT-SFHVURJKSA-N 0 0 296.370 3.127 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1cc(F)cc(Cl)c1 ZINC001156170495 805662148 /nfs/dbraw/zinc/66/21/48/805662148.db2.gz OIGYCUSEFQDRJB-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN COc1ncccc1C1=CCN(c2ccccc2)CC1 ZINC001250533601 805682190 /nfs/dbraw/zinc/68/21/90/805682190.db2.gz XFCDKKBYHSYZNK-UHFFFAOYSA-N 0 0 266.344 3.384 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccc(C(C)(C)C)nn2)cc1 ZINC001156921021 805753289 /nfs/dbraw/zinc/75/32/89/805753289.db2.gz OWSHJNBEMJVMMH-UHFFFAOYSA-N 0 0 298.434 3.477 20 10 CGCDRN Cc1cc[nH]c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157042112 805768470 /nfs/dbraw/zinc/76/84/70/805768470.db2.gz XKFLNWCCFWAATL-UHFFFAOYSA-N 0 0 280.327 3.112 20 10 CGCDRN Nc1ccc(Nc2c[nH]c(C(F)(F)F)cc2=O)cc1 ZINC001159233341 806063069 /nfs/dbraw/zinc/06/30/69/806063069.db2.gz MZJDBBHRGWDZAJ-UHFFFAOYSA-N 0 0 269.226 3.132 20 10 CGCDRN Nc1ccc(Nc2cc(OC(F)(F)F)ccn2)cc1 ZINC001159416365 806099161 /nfs/dbraw/zinc/09/91/61/806099161.db2.gz VOAHASSHJFBKFO-UHFFFAOYSA-N 0 0 269.226 3.306 20 10 CGCDRN CCOC(=O)c1nc(Cl)sc1Nc1ccc(N)cc1 ZINC001159416340 806099276 /nfs/dbraw/zinc/09/92/76/806099276.db2.gz ULNMAUREHCOAOV-UHFFFAOYSA-N 0 0 297.767 3.299 20 10 CGCDRN CC/C=C/CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001159565140 806122576 /nfs/dbraw/zinc/12/25/76/806122576.db2.gz HGLJOWMNWIPYFK-ONEGZZNKSA-N 0 0 277.345 3.009 20 10 CGCDRN CCOC(=O)c1ccc(C)c(Nc2ccc(N)cc2)c1 ZINC001159640893 806140453 /nfs/dbraw/zinc/14/04/53/806140453.db2.gz TYBNZCOXKNYDPM-UHFFFAOYSA-N 0 0 270.332 3.498 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC001159918724 806198082 /nfs/dbraw/zinc/19/80/82/806198082.db2.gz OQHLDMPJLNMFOB-GHMZBOCLSA-N 0 0 267.394 3.400 20 10 CGCDRN Nc1ccc(Nc2cc(N)ccc2Br)cc1 ZINC001159926187 806200078 /nfs/dbraw/zinc/20/00/78/806200078.db2.gz GDMGBPBYTPVFOS-UHFFFAOYSA-N 0 0 278.153 3.357 20 10 CGCDRN Cc1ncc(F)c(NCc2cc3ccccc3cc2O)n1 ZINC001160207283 806235577 /nfs/dbraw/zinc/23/55/77/806235577.db2.gz VTTMCEQYJNNZMF-UHFFFAOYSA-N 0 0 283.306 3.395 20 10 CGCDRN CCOc1cccnc1NCc1c(C)cc(C)cc1O ZINC001160811037 806305364 /nfs/dbraw/zinc/30/53/64/806305364.db2.gz CJUNJALEEWNEEY-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN Cc1cc(C)c(CNc2nccc(C(F)F)n2)c(O)c1 ZINC001160811345 806305804 /nfs/dbraw/zinc/30/58/04/806305804.db2.gz KLIZAUZTDDSDNV-UHFFFAOYSA-N 0 0 279.290 3.349 20 10 CGCDRN COc1cc(C)cc(NCc2c(C)cc(C)cc2O)n1 ZINC001160810517 806306066 /nfs/dbraw/zinc/30/60/66/806306066.db2.gz RUCBWQDVLCDHAT-UHFFFAOYSA-N 0 0 272.348 3.333 20 10 CGCDRN Cc1cc(C)c(CNc2ncc([N+](=O)[O-])cc2F)c(O)c1 ZINC001160808323 806306459 /nfs/dbraw/zinc/30/64/59/806306459.db2.gz PTRQLHDPNFSUOU-UHFFFAOYSA-N 0 0 291.282 3.063 20 10 CGCDRN Oc1cccc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)c1O ZINC001254512922 806432636 /nfs/dbraw/zinc/43/26/36/806432636.db2.gz LXWJKVXDZSIPAD-QWHCGFSZSA-N 0 0 294.310 3.419 20 10 CGCDRN Nc1ccc(CNc2cc(Cl)nc3c2CCC3)cc1 ZINC001162783837 806664908 /nfs/dbraw/zinc/66/49/08/806664908.db2.gz AWMJUMGAJXWENW-UHFFFAOYSA-N 0 0 273.767 3.418 20 10 CGCDRN Nc1ccc(CN[C@@H](F)c2ccnc(Cl)c2)cc1 ZINC001162785930 806665779 /nfs/dbraw/zinc/66/57/79/806665779.db2.gz PZCUZGVHJCKGDI-CYBMUJFWSA-N 0 0 265.719 3.075 20 10 CGCDRN CCCSc1cncc(NCc2ccc(N)cc2)n1 ZINC001162788062 806666031 /nfs/dbraw/zinc/66/60/31/806666031.db2.gz YAPDRDOGQNEQDX-UHFFFAOYSA-N 0 0 274.393 3.173 20 10 CGCDRN COc1ccc2ccc(NCc3ccc(N)cc3)nc2c1 ZINC001162786160 806666222 /nfs/dbraw/zinc/66/62/22/806666222.db2.gz RIPRNPZUKLZAPR-UHFFFAOYSA-N 0 0 279.343 3.438 20 10 CGCDRN Oc1ccccc1CNc1ccccc1-n1cccn1 ZINC000037024313 798857052 /nfs/dbraw/zinc/85/70/52/798857052.db2.gz XFAMQJUZPQBPFQ-UHFFFAOYSA-N 0 0 265.316 3.190 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000049122731 798892768 /nfs/dbraw/zinc/89/27/68/798892768.db2.gz FMCKHUSHMOXPIJ-RISCZKNCSA-N 0 0 261.369 3.359 20 10 CGCDRN Cc1cc(NCc2ccc3c(c2)CCCN3C)nc(C)n1 ZINC000069716019 798914072 /nfs/dbraw/zinc/91/40/72/798914072.db2.gz HNDVRRMXLVXOBO-UHFFFAOYSA-N 0 0 282.391 3.088 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(F)c(OC)c2)c1 ZINC000160017371 799075113 /nfs/dbraw/zinc/07/51/13/799075113.db2.gz XIEWXFAJIUDIBR-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN CCC1([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000379730687 799353869 /nfs/dbraw/zinc/35/38/69/799353869.db2.gz OMFYFTBMBQRUDL-UHFFFAOYSA-N 0 0 270.170 3.187 20 10 CGCDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000382817180 799398740 /nfs/dbraw/zinc/39/87/40/799398740.db2.gz FPMDXQXUFAVBIH-AWEZNQCLSA-N 0 0 261.369 3.359 20 10 CGCDRN Cc1cc(Br)cc(C[NH2+]CC2(C)CC2)c1O ZINC000390424029 799470527 /nfs/dbraw/zinc/47/05/27/799470527.db2.gz LHVAZHIVYNWPKF-UHFFFAOYSA-N 0 0 284.197 3.353 20 10 CGCDRN C[C@@H]1COCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000398902502 799532999 /nfs/dbraw/zinc/53/29/99/799532999.db2.gz DXPSQSNAQVJDGB-SECBINFHSA-N 0 0 290.190 3.310 20 10 CGCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000402755537 799563778 /nfs/dbraw/zinc/56/37/78/799563778.db2.gz NDDCJSSCVKFCEU-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN Cc1ccc(F)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403711 799689220 /nfs/dbraw/zinc/68/92/20/799689220.db2.gz XBNTZSZFVYVETI-DAXSKMNVSA-N 0 0 287.290 3.197 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000689225086 799763011 /nfs/dbraw/zinc/76/30/11/799763011.db2.gz NBDMCFFXUGOEST-UFBFGSQYSA-N 0 0 259.271 3.227 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC(C3CCC3)CC2)cc1 ZINC000692987125 799806243 /nfs/dbraw/zinc/80/62/43/799806243.db2.gz VMIFWCHVIXWKTP-UHFFFAOYSA-N 0 0 273.380 3.313 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccccc1O ZINC000693072219 799806667 /nfs/dbraw/zinc/80/66/67/799806667.db2.gz DHANWPKHGZDAGU-GXTWGEPZSA-N 0 0 263.381 3.248 20 10 CGCDRN CN(C(=O)[C@@H]1CCCC2(CC2)C1)c1ccc(N)cc1 ZINC000695920610 799836767 /nfs/dbraw/zinc/83/67/67/799836767.db2.gz JOALPKIHWIIPJB-GFCCVEGCSA-N 0 0 258.365 3.202 20 10 CGCDRN O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1O ZINC000701144015 799883942 /nfs/dbraw/zinc/88/39/42/799883942.db2.gz BOBLVUNQRDLGIP-SOFGYWHQSA-N 0 0 293.775 3.437 20 10 CGCDRN Cc1ccsc1/C=C/C(=O)NCc1ccccc1O ZINC000701133044 799884377 /nfs/dbraw/zinc/88/43/77/799884377.db2.gz LSPLTMORPOSCAM-VOTSOKGWSA-N 0 0 273.357 3.092 20 10 CGCDRN CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703259368 799921892 /nfs/dbraw/zinc/92/18/92/799921892.db2.gz XBWGQIFCCRUBKG-VHSXEESVSA-N 0 0 273.348 3.044 20 10 CGCDRN [O-]c1c(C[NH2+]CCCC(F)(F)F)ccc(F)c1F ZINC000703416789 799924368 /nfs/dbraw/zinc/92/43/68/799924368.db2.gz CYYOBKGQHGWZDN-UHFFFAOYSA-N 0 0 269.213 3.103 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC1(F)CCC1 ZINC000708393820 799988133 /nfs/dbraw/zinc/98/81/33/799988133.db2.gz JHJJVSRSCFGIKI-UHFFFAOYSA-N 0 0 259.271 3.042 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC000711124202 800047686 /nfs/dbraw/zinc/04/76/86/800047686.db2.gz QWDLNUIYELIGLQ-ZDUSSCGKSA-N 0 0 262.397 3.347 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000713471314 800109057 /nfs/dbraw/zinc/10/90/57/800109057.db2.gz RABLTXQELILJLT-STQMWFEESA-N 0 0 281.783 3.093 20 10 CGCDRN C[C@H]1CC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715718478 800144486 /nfs/dbraw/zinc/14/44/86/800144486.db2.gz NVRLCQULVYVCTE-WRWORJQWSA-N 0 0 288.160 3.182 20 10 CGCDRN CCCCCc1nnc(-c2cc3cc(O)c(O)cc3[nH]2)o1 ZINC001256080316 806814352 /nfs/dbraw/zinc/81/43/52/806814352.db2.gz VQGGLTOQEDGIAV-UHFFFAOYSA-N 0 0 287.319 3.362 20 10 CGCDRN Cc1c(Br)cncc1Nc1ccc(N)cc1 ZINC000722712658 800324599 /nfs/dbraw/zinc/32/45/99/800324599.db2.gz JYRDJXCXERLRBI-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN CC(C)c1ccccc1N(C)C(=O)/C=C/c1cnn(C)c1 ZINC000809389759 800433793 /nfs/dbraw/zinc/43/37/93/800433793.db2.gz PXWNDQPRCHWHFS-MDZDMXLPSA-N 0 0 283.375 3.220 20 10 CGCDRN CC(C)CC1(C(=O)NCc2ccc(O)cc2O)CCCC1 ZINC000821011694 800455778 /nfs/dbraw/zinc/45/57/78/800455778.db2.gz UKFULEZPXSJXIR-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761820 800560121 /nfs/dbraw/zinc/56/01/21/800560121.db2.gz ZAUFRIDBJWUAOU-CMPLNLGQSA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@H]1C[C@@H]1c1nnc(/C=C/c2ccc(N(C)C)cc2)o1 ZINC001256669135 806945646 /nfs/dbraw/zinc/94/56/46/806945646.db2.gz UPBNUTBHALFPJY-YYZHOMROSA-N 0 0 269.348 3.429 20 10 CGCDRN Nc1ccc(Cc2noc([C@H]3CCC[C@H](F)C3)n2)cc1 ZINC001118243697 802540955 /nfs/dbraw/zinc/54/09/55/802540955.db2.gz YRHRJJKJYMDZFP-RYUDHWBXSA-N 0 0 275.327 3.238 20 10 CGCDRN CCOCc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC001118617981 802590403 /nfs/dbraw/zinc/59/04/03/802590403.db2.gz FOFNDRPULFXDEQ-UHFFFAOYSA-N 0 0 277.345 3.243 20 10 CGCDRN CC(C)=CCC[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001120536421 802748427 /nfs/dbraw/zinc/74/84/27/802748427.db2.gz OYNATUQZPSXBEV-ZDUSSCGKSA-N 0 0 275.396 3.203 20 10 CGCDRN Cc1ccccc1C[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001120574928 802750506 /nfs/dbraw/zinc/75/05/06/802750506.db2.gz STLBKJJGDUYPGV-AWEZNQCLSA-N 0 0 297.402 3.008 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc(Cl)nc2)cn1 ZINC001128583638 803197161 /nfs/dbraw/zinc/19/71/61/803197161.db2.gz GQLSBHPNEAVRGH-YVMONPNESA-N 0 0 287.750 3.115 20 10 CGCDRN COC(=O)c1cnc(-c2cncc(C)c2C)c2ccn(C)c21 ZINC001244150027 803211443 /nfs/dbraw/zinc/21/14/43/803211443.db2.gz FXZLISDHYOSNPE-UHFFFAOYSA-N 0 0 295.342 3.039 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccsc1 ZINC001130661195 803294071 /nfs/dbraw/zinc/29/40/71/803294071.db2.gz WMSWWDUMSARXRH-DHZHZOJOSA-N 0 0 258.346 3.209 20 10 CGCDRN Nc1ccc(F)cc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001244400949 803349262 /nfs/dbraw/zinc/34/92/62/803349262.db2.gz MXCBDFXLOBLHMY-UHFFFAOYSA-N 0 0 294.329 3.285 20 10 CGCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1ccc(F)c(C)c1 ZINC001133440698 803476871 /nfs/dbraw/zinc/47/68/71/803476871.db2.gz VIJDNCHPWFEUCI-JLHYYAGUSA-N 0 0 299.349 3.381 20 10 CGCDRN Nc1c(Cl)cccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001245181698 803659050 /nfs/dbraw/zinc/65/90/50/803659050.db2.gz HAKRBFLDXMAQSY-UHFFFAOYSA-N 0 0 274.751 3.161 20 10 CGCDRN Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C)n1 ZINC001137281688 803708236 /nfs/dbraw/zinc/70/82/36/803708236.db2.gz ILYPQAZDPWOVJX-UHFFFAOYSA-N 0 0 297.318 3.113 20 10 CGCDRN Oc1cccc2c1CN(Cc1scnc1Cl)CC2 ZINC001137823591 803777928 /nfs/dbraw/zinc/77/79/28/803777928.db2.gz MGOGLRKUTDFKNP-UHFFFAOYSA-N 0 0 280.780 3.060 20 10 CGCDRN C[C@]1(CF)CC(F)(F)CN1Cc1c(O)cccc1F ZINC001137832842 803778353 /nfs/dbraw/zinc/77/83/53/803778353.db2.gz JWUMFWUNOZMMEU-GFCCVEGCSA-N 0 0 277.261 3.101 20 10 CGCDRN COc1ccccc1CC[N@H+](C)Cc1c([O-])cccc1F ZINC001137838657 803780853 /nfs/dbraw/zinc/78/08/53/803780853.db2.gz GDEHYBWJNCLEOS-UHFFFAOYSA-N 0 0 289.350 3.214 20 10 CGCDRN CN(Cc1ccccc1O)Cc1ccc(F)c(F)c1F ZINC001137940157 803805341 /nfs/dbraw/zinc/80/53/41/803805341.db2.gz KGQMMYVITVGSHB-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN CN(Cc1cnc(Cl)s1)Cc1cccc(F)c1O ZINC001138122561 803861163 /nfs/dbraw/zinc/86/11/63/803861163.db2.gz MZZWITXGJCIFIV-UHFFFAOYSA-N 0 0 286.759 3.273 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001138127656 803863385 /nfs/dbraw/zinc/86/33/85/803863385.db2.gz KCEDSDYXDSLSGN-JTQLQIEISA-N 0 0 259.271 3.008 20 10 CGCDRN CCN(CC)c1ccc(C[N@H+](CC)CCOC)c(OC)c1 ZINC001138388187 803912131 /nfs/dbraw/zinc/91/21/31/803912131.db2.gz RXAGANZLPDSXIS-UHFFFAOYSA-N 0 0 294.439 3.010 20 10 CGCDRN CCN(CC)c1ccc(CN2CCCCO2)c(OC)c1 ZINC001138386905 803912424 /nfs/dbraw/zinc/91/24/24/803912424.db2.gz ZQAABVABHSEQAR-UHFFFAOYSA-N 0 0 278.396 3.069 20 10 CGCDRN C[N@H+](Cc1cccs1)Cc1c(F)ccc(F)c1[O-] ZINC001139684103 804251729 /nfs/dbraw/zinc/25/17/29/804251729.db2.gz QPQNXGPNSQKSCT-UHFFFAOYSA-N 0 0 269.316 3.364 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001139684095 804253034 /nfs/dbraw/zinc/25/30/34/804253034.db2.gz QNZLIRJRFVLECY-QMTHXVAHSA-N 0 0 267.319 3.435 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001140461813 804440827 /nfs/dbraw/zinc/44/08/27/804440827.db2.gz ULPGTDOBYAEDMI-JTQLQIEISA-N 0 0 293.716 3.472 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCc2occc2C1 ZINC001140466149 804444126 /nfs/dbraw/zinc/44/41/26/804444126.db2.gz YWWVGYNCOLPMQR-UHFFFAOYSA-N 0 0 263.724 3.197 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(-c4ccon4)o3)cc2)c1 ZINC001256941118 807014326 /nfs/dbraw/zinc/01/43/26/807014326.db2.gz QIAYSMICQWPCJA-UHFFFAOYSA-N 0 0 278.271 3.182 20 10 CGCDRN FC(F)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965659 807018368 /nfs/dbraw/zinc/01/83/68/807018368.db2.gz GUOMIDSAZSOXNY-UHFFFAOYSA-N 0 0 275.258 3.335 20 10 CGCDRN Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC001140952248 804557405 /nfs/dbraw/zinc/55/74/05/804557405.db2.gz KBFHENWRSHXOCQ-UHFFFAOYSA-N 0 0 296.414 3.018 20 10 CGCDRN C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527070 804734083 /nfs/dbraw/zinc/73/40/83/804734083.db2.gz JQEQTTHCASIYOK-NXEZZACHSA-N 0 0 255.308 3.148 20 10 CGCDRN C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC001143101217 804800307 /nfs/dbraw/zinc/80/03/07/804800307.db2.gz BKCKQRUWOWMKSP-BETUJISGSA-N 0 0 277.408 3.299 20 10 CGCDRN CC(=O)c1cccc(-c2noc(Cc3ccc(N)cc3)n2)c1 ZINC001248184507 804892547 /nfs/dbraw/zinc/89/25/47/804892547.db2.gz XYWJTHLVFJGTSH-UHFFFAOYSA-N 0 0 293.326 3.112 20 10 CGCDRN CC[N@H+](Cc1ccc2n1CCC2)Cc1ccccc1O ZINC001248824672 805010080 /nfs/dbraw/zinc/01/00/80/805010080.db2.gz WULPGPIANYNEBL-UHFFFAOYSA-N 0 0 270.376 3.162 20 10 CGCDRN CCOC(=O)Cc1cccc(Nc2ccc(N)cc2)c1 ZINC001212526671 815050099 /nfs/dbraw/zinc/05/00/99/815050099.db2.gz SCBQCGFZWIEEHS-UHFFFAOYSA-N 0 0 270.332 3.118 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2CCCO2)cc1Cl ZINC001248880165 805030493 /nfs/dbraw/zinc/03/04/93/805030493.db2.gz HFLPMPRDWQXRMX-UHFFFAOYSA-N 0 0 269.772 3.480 20 10 CGCDRN CCC(CC)CCCN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001149126271 805220519 /nfs/dbraw/zinc/22/05/19/805220519.db2.gz SBKRCNLHWARNOK-UHFFFAOYSA-N 0 0 293.407 3.315 20 10 CGCDRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)C1=CC(=O)CS1 ZINC001150423610 805258878 /nfs/dbraw/zinc/25/88/78/805258878.db2.gz NASFHHZITHNFJT-CMPLNLGQSA-N 0 0 295.310 3.018 20 10 CGCDRN Oc1cccc(Nc2cc3cc(F)ccc3[nH]2)c1O ZINC001249854688 805262548 /nfs/dbraw/zinc/26/25/48/805262548.db2.gz NATFNKMBIBAWDZ-UHFFFAOYSA-N 0 0 258.252 3.462 20 10 CGCDRN Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)c2c1CCC2 ZINC001152574269 805354565 /nfs/dbraw/zinc/35/45/65/805354565.db2.gz RVVWOLMTWBWYEN-UHFFFAOYSA-N 0 0 293.366 3.345 20 10 CGCDRN CCCc1ccc(N(CC)Cc2ccccc2O)nn1 ZINC001154890835 805506374 /nfs/dbraw/zinc/50/63/74/805506374.db2.gz RJPFHBHNBHWHEB-UHFFFAOYSA-N 0 0 271.364 3.161 20 10 CGCDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)on1 ZINC001256940703 807013080 /nfs/dbraw/zinc/01/30/80/807013080.db2.gz KLAMYCUSBUOFNI-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN Cc1ccc(-c2noc(-c3nnsc3C(C)C)n2)nc1 ZINC001212687114 815103287 /nfs/dbraw/zinc/10/32/87/815103287.db2.gz CEEUNZJTKHKMOB-UHFFFAOYSA-N 0 0 287.348 3.082 20 10 CGCDRN Cc1cc(NCCc2cc(O)c(O)cc2O)cc(C)c1C ZINC001168010612 807301530 /nfs/dbraw/zinc/30/15/30/807301530.db2.gz XZNAMJDBOCDQOS-UHFFFAOYSA-N 0 0 287.359 3.383 20 10 CGCDRN 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[O-]c1c(C[NH2+]Cc2ccc3c(c2)CCC3)ccc(F)c1F ZINC001333339242 935527477 /nfs/dbraw/zinc/52/74/77/935527477.db2.gz YCAJSHCGIHLHDZ-UHFFFAOYSA-N 0 0 289.325 3.449 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2CCCC(F)(F)F ZINC001333610611 935551082 /nfs/dbraw/zinc/55/10/82/935551082.db2.gz BVJVTKGAEIFETD-UHFFFAOYSA-N 0 0 288.313 3.294 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001334321257 936096400 /nfs/dbraw/zinc/09/64/00/936096400.db2.gz YASWJOITYYBKMK-UHFFFAOYSA-N 0 0 271.335 3.310 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)OC2CCCCC2)c1 ZINC001335332576 936139654 /nfs/dbraw/zinc/13/96/54/936139654.db2.gz ZVBLNZYJZXDDFA-ZDUSSCGKSA-N 0 0 291.391 3.055 20 10 CGCDRN Cc1cnnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC001335472449 936147625 /nfs/dbraw/zinc/14/76/25/936147625.db2.gz YFUNZRFWXKRHQP-UHFFFAOYSA-N 0 0 286.766 3.127 20 10 CGCDRN CC1(C)CCCC[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001336856028 936223103 /nfs/dbraw/zinc/22/31/03/936223103.db2.gz ZCWLUAIGJMINOS-CQSZACIVSA-N 0 0 275.396 3.037 20 10 CGCDRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1 ZINC001337070558 936235693 /nfs/dbraw/zinc/23/56/93/936235693.db2.gz RWBWYZSZIICXFR-CJNGLKHVSA-N 0 0 289.423 3.379 20 10 CGCDRN CCOc1ncc(C)cc1NCc1ccc(C)cc1O ZINC001474546754 937866172 /nfs/dbraw/zinc/86/61/72/937866172.db2.gz RCQREPYJKDBCRB-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1nc2ccccc2o1 ZINC001474716015 937876579 /nfs/dbraw/zinc/87/65/79/937876579.db2.gz YTZYTKGLENQWGD-UHFFFAOYSA-N 0 0 290.269 3.101 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001474746253 937878478 /nfs/dbraw/zinc/87/84/78/937878478.db2.gz QAHRQTPKRDCYRC-ZWKOPEQDSA-N 0 0 251.757 3.324 20 10 CGCDRN CCn1c(C2SC=CC2=O)nnc1N1CCCC1(C)C ZINC001520737797 938027160 /nfs/dbraw/zinc/02/71/60/938027160.db2.gz DIZBJELXOOZCAJ-UHFFFAOYSA-N 0 0 292.408 3.111 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCc2ccccc21 ZINC001521243528 938030652 /nfs/dbraw/zinc/03/06/52/938030652.db2.gz KMSIPXOMGJAYSC-OWBHPGMISA-N 0 0 278.355 3.464 20 10 CGCDRN CCC[C@@H](CC(C)C)C(=O)NCc1cccc(O)c1O ZINC001528771434 938069201 /nfs/dbraw/zinc/06/92/01/938069201.db2.gz PCRJUZOABLWHJA-LBPRGKRZSA-N 0 0 279.380 3.176 20 10 CGCDRN Cc1ccc2oc(C(=O)NCc3ccc(O)cc3O)cc2c1 ZINC001557085010 938207877 /nfs/dbraw/zinc/20/78/77/938207877.db2.gz YNLHPLJJCPJLOR-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN C[C@H](NC(=O)c1cccc2ccncc21)c1ccccc1O ZINC001557969422 938212837 /nfs/dbraw/zinc/21/28/37/938212837.db2.gz VKAMTKGMWZRCPG-LBPRGKRZSA-N 0 0 292.338 3.431 20 10 CGCDRN O=C(/C=C\C1CCCCC1)NCc1c(O)cccc1F ZINC001558454509 938215469 /nfs/dbraw/zinc/21/54/69/938215469.db2.gz HVZCUPDYQPTPGY-KTKRTIGZSA-N 0 0 277.339 3.284 20 10 CGCDRN O=C(CCCCc1ccccc1)NCc1c(O)cccc1O ZINC001558535639 938216185 /nfs/dbraw/zinc/21/61/85/938216185.db2.gz LUFCLTMGGUHSQZ-UHFFFAOYSA-N 0 0 299.370 3.127 20 10 CGCDRN Cc1ccc([S@@](C)(=O)=NC(=O)C2=CC(=O)CS2)cc1 ZINC001558602559 938216760 /nfs/dbraw/zinc/21/67/60/938216760.db2.gz VCJZCNRBQALSPK-LJQANCHMSA-N 0 0 295.385 3.059 20 10 CGCDRN CCC(CC)(CC)CNC(=O)c1c(F)ccc(O)c1O ZINC001558951151 938218623 /nfs/dbraw/zinc/21/86/23/938218623.db2.gz ZHIGVADEKPWKLE-UHFFFAOYSA-N 0 0 283.343 3.183 20 10 CGCDRN O=[N+]([O-])c1cnc(Sc2ccc3c(c2)CCO3)s1 ZINC001559207966 938222372 /nfs/dbraw/zinc/22/23/72/938222372.db2.gz ODAYAGXULDFGMR-UHFFFAOYSA-N 0 0 280.330 3.137 20 10 CGCDRN Cc1ccc(O)c(CNc2ncc(Cl)s2)c1 ZINC001559240530 938223290 /nfs/dbraw/zinc/22/32/90/938223290.db2.gz TUEHHFHAGLKMTD-UHFFFAOYSA-N 0 0 254.742 3.423 20 10 CGCDRN O=[N+]([O-])c1sccc1NCc1c(O)cccc1F ZINC001559284983 938224463 /nfs/dbraw/zinc/22/44/63/938224463.db2.gz YUEYZMYYGIQUBB-UHFFFAOYSA-N 0 0 268.269 3.113 20 10 CGCDRN CN(C)c1ccc(CN2CCOc3ccc(F)cc32)cc1 ZINC001559598428 938230794 /nfs/dbraw/zinc/23/07/94/938230794.db2.gz VJGMBKUOHNIWPL-UHFFFAOYSA-N 0 0 286.350 3.291 20 10 CGCDRN CCON(CC)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001560081250 938243271 /nfs/dbraw/zinc/24/32/71/938243271.db2.gz UJVLBUZQZODAMB-UHFFFAOYSA-N 0 0 271.744 3.022 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccn1 ZINC001560247781 938249236 /nfs/dbraw/zinc/24/92/36/938249236.db2.gz ZEZRCBJITIOIPD-SECBINFHSA-N 0 0 280.730 3.431 20 10 CGCDRN Oc1c(F)cc(F)cc1CNc1cccc2c1OCC2 ZINC001560533261 938261894 /nfs/dbraw/zinc/26/18/94/938261894.db2.gz LQZGTAOXOLWRGC-UHFFFAOYSA-N 0 0 277.270 3.217 20 10 CGCDRN CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001560834382 938278316 /nfs/dbraw/zinc/27/83/16/938278316.db2.gz MCOKBSBSEHPYIM-CHWSQXEVSA-N 0 0 297.345 3.060 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001560880441 938281797 /nfs/dbraw/zinc/28/17/97/938281797.db2.gz JANJZYXVOXCZIG-ICCXJUOJSA-N 0 0 251.757 3.324 20 10 CGCDRN C[C@@]1(CC[NH2+]Cc2cc(F)c(F)cc2[O-])CC1(F)F ZINC001560936414 938285127 /nfs/dbraw/zinc/28/51/27/938285127.db2.gz YNMJREODTBIKRW-GFCCVEGCSA-N 0 0 277.261 3.195 20 10 CGCDRN COc1cc(C)c(CNc2cnc3[nH]ccc3c2)c(O)c1 ZINC001561007576 938289060 /nfs/dbraw/zinc/28/90/60/938289060.db2.gz ZFJODCBZALQUQN-UHFFFAOYSA-N 0 0 283.331 3.149 20 10 CGCDRN C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC001561015815 938289756 /nfs/dbraw/zinc/28/97/56/938289756.db2.gz HZAFWWVUSRQLCL-SUNKGSAMSA-N 0 0 251.345 3.446 20 10 CGCDRN CC[C@H](C)[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)C(=O)[O-] ZINC001593614357 953490172 /nfs/dbraw/zinc/49/01/72/953490172.db2.gz MQJCXEZINRPOLF-ZBEGNZNMSA-N 0 0 288.391 3.076 20 10 CGCDRN Cc1ccc([C@H](C)C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001144454609 957875618 /nfs/dbraw/zinc/87/56/18/957875618.db2.gz ZXRSRIJTHNRYPT-AWEZNQCLSA-N 0 0 295.382 3.389 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2CCC=CCC2)cc1F ZINC001434914145 960482882 /nfs/dbraw/zinc/48/28/82/960482882.db2.gz FKGJQKROUIXSPU-UHFFFAOYSA-N 0 0 290.382 3.254 20 10 CGCDRN C[C@H](C(=O)NCc1cccc(O)c1O)[C@H](C)C(C)(C)C ZINC001593745188 960510207 /nfs/dbraw/zinc/51/02/07/960510207.db2.gz YTWOQSAPPJYAAN-QWRGUYRKSA-N 0 0 279.380 3.032 20 10 CGCDRN Cc1c(F)c(F)ccc1NC(=O)C1=CC(=O)CS1 ZINC001570284214 961942036 /nfs/dbraw/zinc/94/20/36/961942036.db2.gz WAPIZMWCHLPWCV-UHFFFAOYSA-N 0 0 269.272 3.293 20 10 CGCDRN CC1(C)Cc2cc(C(=O)Oc3ccc(N)cc3)ccc2O1 ZINC001576488309 962464848 /nfs/dbraw/zinc/46/48/48/962464848.db2.gz WWSIWRSDAHYVGH-UHFFFAOYSA-N 0 0 283.327 3.202 20 10 CGCDRN C[C@@H]1COc2ccccc2[C@@H]1OC(=O)Cc1ccc(N)cc1 ZINC001576862902 962493873 /nfs/dbraw/zinc/49/38/73/962493873.db2.gz XLYCLGKPLNPOQW-KZULUSFZSA-N 0 0 297.354 3.124 20 10 CGCDRN Nc1ccc(OC(=O)Cc2ccc(-n3cccc3)cc2)cc1 ZINC001580449675 962721904 /nfs/dbraw/zinc/72/19/04/962721904.db2.gz RKUYPRNHIVVKBT-UHFFFAOYSA-N 0 0 292.338 3.208 20 10 CGCDRN Nc1ccc(CNC(=O)c2ccsc2C(F)F)cc1 ZINC001580445642 962722563 /nfs/dbraw/zinc/72/25/63/962722563.db2.gz NGALGDVXOUJUFA-UHFFFAOYSA-N 0 0 282.315 3.198 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CCC[Si](C)(C)C)cc1 ZINC001587316479 963185835 /nfs/dbraw/zinc/18/58/35/963185835.db2.gz HYTWEIRMZUUNKO-UHFFFAOYSA-N 0 0 292.499 3.487 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001587451097 963194169 /nfs/dbraw/zinc/19/41/69/963194169.db2.gz HSZJUUDBRWNFJJ-OLZOCXBDSA-N 0 0 269.344 3.373 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594261620 999010680 /nfs/dbraw/zinc/01/06/80/999010680.db2.gz OMUNSPWTCMIHAW-CKYFFXLPSA-N 0 0 295.404 3.025 20 10 CGCDRN CN(C)c1ccc(CN2CCC(=O)Nc3ccccc32)cc1 ZINC000193428959 282288996 /nfs/dbraw/zinc/28/89/96/282288996.db2.gz VYHGDWYSGLQMLF-UHFFFAOYSA-N 0 0 295.386 3.101 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000043046141 344993697 /nfs/dbraw/zinc/99/36/97/344993697.db2.gz ZCFIOKYXZFWKPH-OCCSQVGLSA-N 0 0 276.380 3.112 20 10 CGCDRN Cc1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000061075283 345226539 /nfs/dbraw/zinc/22/65/39/345226539.db2.gz BZVPSKFBKWVQGP-UHFFFAOYSA-N 0 0 296.414 3.262 20 10 CGCDRN Fc1cc(CSc2nccs2)c2c(c1)COCO2 ZINC000064661213 345263706 /nfs/dbraw/zinc/26/37/06/345263706.db2.gz XTTBZBFDWQZKCY-UHFFFAOYSA-N 0 0 283.349 3.441 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N(C)C1CCCCC1 ZINC000064660710 345263883 /nfs/dbraw/zinc/26/38/83/345263883.db2.gz NUSKXIGWGWCCBU-JTQLQIEISA-N 0 0 284.450 3.415 20 10 CGCDRN CC(C)c1nsc(NCc2ccc(N(C)C)cc2)n1 ZINC000080778053 345687090 /nfs/dbraw/zinc/68/70/90/345687090.db2.gz XBCIIFKRVSHQIX-UHFFFAOYSA-N 0 0 276.409 3.340 20 10 CGCDRN O=C([O-])CCCCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277276004 304046559 /nfs/dbraw/zinc/04/65/59/304046559.db2.gz LSUAJOKNHQGLGE-UHFFFAOYSA-N 0 0 291.391 3.136 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](CC)SC ZINC000124868050 370928873 /nfs/dbraw/zinc/92/88/73/370928873.db2.gz LKWUASZPSJQLHO-AWEZNQCLSA-N 0 0 281.421 3.272 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(OC)cc2OC)c1 ZINC000020087269 368799371 /nfs/dbraw/zinc/79/93/71/368799371.db2.gz GWVNQNIICOSXQT-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN CCCC(C)(C)[NH2+]Cc1cccc(OCC)c1O ZINC000111387324 370399285 /nfs/dbraw/zinc/39/92/85/370399285.db2.gz WBRMKAGIELVLDT-UHFFFAOYSA-N 0 0 251.370 3.459 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)c(F)c1[O-] ZINC000187760280 299422652 /nfs/dbraw/zinc/42/26/52/299422652.db2.gz QTONEMVEKFFMJR-PCGAWMICSA-N 0 0 297.345 3.279 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccnn1C)c1cccc(Cl)c1[O-] ZINC000287305939 371637079 /nfs/dbraw/zinc/63/70/79/371637079.db2.gz CRGFZFDKSURLCC-CYBMUJFWSA-N 0 0 279.771 3.020 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000293636709 372431291 /nfs/dbraw/zinc/43/12/91/372431291.db2.gz NPCRDZVQAUDCPY-NSHDSACASA-N 0 0 287.762 3.234 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CCSCC1 ZINC000164692267 372529588 /nfs/dbraw/zinc/52/95/88/372529588.db2.gz FCVMAMKEROLVNI-UHFFFAOYSA-N 0 0 271.813 3.278 20 10 CGCDRN COC[C@]1(C)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000294149687 372594552 /nfs/dbraw/zinc/59/45/52/372594552.db2.gz HHVFAXRSKKPIAN-GOSISDBHSA-N 0 0 285.387 3.404 20 10 CGCDRN CCOc1ccc(O)c(C[NH2+]CCCC(C)(F)F)c1 ZINC000295973801 372979445 /nfs/dbraw/zinc/97/94/45/372979445.db2.gz IWAXOHIHIGMVLB-UHFFFAOYSA-N 0 0 273.323 3.316 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C(C)C)s2)cc1F ZINC000296767271 373240433 /nfs/dbraw/zinc/24/04/33/373240433.db2.gz MHHJCEGITFKNJC-UHFFFAOYSA-N 0 0 295.383 3.446 20 10 CGCDRN COCc1cc(CN(C)c2ccc(OC)c(Cl)c2)no1 ZINC000297371269 373268051 /nfs/dbraw/zinc/26/80/51/373268051.db2.gz GMHGOQYGLOBHJU-UHFFFAOYSA-N 0 0 296.754 3.119 20 10 CGCDRN CCCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298170058 373291336 /nfs/dbraw/zinc/29/13/36/373291336.db2.gz OVJMYGGLMPQSLB-UHFFFAOYSA-N 0 0 277.412 3.084 20 10 CGCDRN Cc1cc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000175810363 373523174 /nfs/dbraw/zinc/52/31/74/373523174.db2.gz YFNZTBTWAFZWEQ-UHFFFAOYSA-N 0 0 286.375 3.235 20 10 CGCDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000302466586 373873697 /nfs/dbraw/zinc/87/36/97/373873697.db2.gz VXOVQFIPOKZGRE-LBPRGKRZSA-N 0 0 256.353 3.024 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2C)cc1OC ZINC000180310577 373988268 /nfs/dbraw/zinc/98/82/68/373988268.db2.gz CEFPVEQPPKEKEV-VXGBXAGGSA-N 0 0 279.380 3.030 20 10 CGCDRN CC(C)CCc1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000181781350 374172132 /nfs/dbraw/zinc/17/21/32/374172132.db2.gz ILCQDKQCTSEHDD-UHFFFAOYSA-N 0 0 288.395 3.336 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1=CCCCC1 ZINC000183468779 374418835 /nfs/dbraw/zinc/41/88/35/374418835.db2.gz PQJWAUISBUOMAA-LBPRGKRZSA-N 0 0 289.375 3.036 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CCCOC(C)C ZINC000183551377 374426632 /nfs/dbraw/zinc/42/66/32/374426632.db2.gz XILXFTVOCRXGDD-UHFFFAOYSA-N 0 0 293.407 3.336 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC(C)C ZINC000471493323 375002550 /nfs/dbraw/zinc/00/25/50/375002550.db2.gz NDXPXRVLQNHABK-UHFFFAOYSA-N 0 0 287.407 3.332 20 10 CGCDRN C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(F)c(F)c1[O-] ZINC000187733531 375083675 /nfs/dbraw/zinc/08/36/75/375083675.db2.gz VRHQDMKFKQGYDV-SNVBAGLBSA-N 0 0 287.350 3.120 20 10 CGCDRN Cc1ccncc1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000492620289 375448337 /nfs/dbraw/zinc/44/83/37/375448337.db2.gz SFVDBRUCEKXDNR-GQCTYLIASA-N 0 0 287.750 3.115 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000191331669 375611274 /nfs/dbraw/zinc/61/12/74/375611274.db2.gz ODUGGTSJFZGHPJ-IUPBHXKESA-N 0 0 299.773 3.232 20 10 CGCDRN CC(C)Oc1ccc(N(C)CC2=CCCOC2)cc1 ZINC000192037022 375692345 /nfs/dbraw/zinc/69/23/45/375692345.db2.gz AYFYPODHLBSIJP-UHFFFAOYSA-N 0 0 261.365 3.257 20 10 CGCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000174918874 542183743 /nfs/dbraw/zinc/18/37/43/542183743.db2.gz FQZWWPAMYCUPDW-LSDHHAIUSA-N 0 0 299.418 3.003 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C=C1CCC1 ZINC000268060950 378049285 /nfs/dbraw/zinc/04/92/85/378049285.db2.gz DIMORJBQVNRIFT-UHFFFAOYSA-N 0 0 259.349 3.241 20 10 CGCDRN Cc1ccccc1[C@@H](C)N(C)C(=O)Cc1ccc(N)cc1 ZINC000269223796 378198809 /nfs/dbraw/zinc/19/88/09/378198809.db2.gz KRLVFQJIDUOXKY-CQSZACIVSA-N 0 0 282.387 3.339 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(C(F)(F)F)nn2)cc1 ZINC000269940314 378284660 /nfs/dbraw/zinc/28/46/60/378284660.db2.gz GCIBWXLABOMRMU-UHFFFAOYSA-N 0 0 296.296 3.174 20 10 CGCDRN C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(F)cc1[O-] ZINC000273362132 378742277 /nfs/dbraw/zinc/74/22/77/378742277.db2.gz ASOPMUTWCXTVDP-LBPRGKRZSA-N 0 0 281.371 3.125 20 10 CGCDRN COc1cccc(CNC(=O)[C@H](C)CCC(C)(C)C)c1O ZINC000273371841 378742525 /nfs/dbraw/zinc/74/25/25/378742525.db2.gz XZACYPFKQHPXLB-GFCCVEGCSA-N 0 0 293.407 3.479 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000273406758 378745922 /nfs/dbraw/zinc/74/59/22/378745922.db2.gz ONYOMVFNOQAACM-MNOVXSKESA-N 0 0 287.319 3.107 20 10 CGCDRN Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273463054 378748433 /nfs/dbraw/zinc/74/84/33/378748433.db2.gz IJPJDFWISQCOCA-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000273612686 378756669 /nfs/dbraw/zinc/75/66/69/378756669.db2.gz WQSVXYJFEUJEKT-RIEGTJTDSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccco1 ZINC000349135541 379166363 /nfs/dbraw/zinc/16/63/63/379166363.db2.gz TZWXKCWFEQFQQJ-UHFFFAOYSA-N 0 0 297.358 3.079 20 10 CGCDRN O=C(NCc1cccc(Cl)c1)C1=CC(=O)CS1 ZINC000731865796 572430158 /nfs/dbraw/zinc/43/01/58/572430158.db2.gz IGFYAVURDPTVOI-UHFFFAOYSA-N 0 0 267.737 3.037 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccn(C)c1 ZINC000282417437 379916854 /nfs/dbraw/zinc/91/68/54/379916854.db2.gz GMQZPVUXZBVDGQ-UHFFFAOYSA-N 0 0 286.375 3.173 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC(F)(F)C2)cc1 ZINC000282511587 379933908 /nfs/dbraw/zinc/93/39/08/379933908.db2.gz KLTBVPIKACUPGY-CYBMUJFWSA-N 0 0 296.361 3.194 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C ZINC000283628383 380078134 /nfs/dbraw/zinc/07/81/34/380078134.db2.gz BGNGXTFGDANXOQ-HIFRSBDPSA-N 0 0 290.407 3.360 20 10 CGCDRN COc1cccc(CNc2ccc(F)c([C@@H](C)O)c2)c1O ZINC000285597920 380150313 /nfs/dbraw/zinc/15/03/13/380150313.db2.gz WITGZMXZRIMHBE-SNVBAGLBSA-N 0 0 291.322 3.205 20 10 CGCDRN CCOCCCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285528451 380150587 /nfs/dbraw/zinc/15/05/87/380150587.db2.gz FIHQKULCQNZORL-AWEZNQCLSA-N 0 0 269.360 3.389 20 10 CGCDRN CC[C@@H]([NH2+]CCCOCC1CC1)c1ccc(F)cc1[O-] ZINC000285694458 380152227 /nfs/dbraw/zinc/15/22/27/380152227.db2.gz OPLSVAVVYQOHMF-OAHLLOKOSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(F)cc1[O-] ZINC000285909391 380153663 /nfs/dbraw/zinc/15/36/63/380153663.db2.gz BUJRMYGBOIWDPF-BMIGLBTASA-N 0 0 291.370 3.235 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000285960534 380155005 /nfs/dbraw/zinc/15/50/05/380155005.db2.gz GPEOFQLINZUPHO-JMSVASOKSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000286045099 380158869 /nfs/dbraw/zinc/15/88/69/380158869.db2.gz JYYRYGCHYAAPEB-ZYHUDNBSSA-N 0 0 255.358 3.078 20 10 CGCDRN O=C1/C(=C\c2ccccc2)SC(=S)N1C1CCC1 ZINC000292262511 296312986 /nfs/dbraw/zinc/31/29/86/296312986.db2.gz FXTWDQSPXJNALE-FMIVXFBMSA-N 0 0 275.398 3.440 20 10 CGCDRN Cc1c2cc(OC[C@H]3CCOC3)ccc2n(C)c1C ZINC000421196583 380871404 /nfs/dbraw/zinc/87/14/04/380871404.db2.gz JGILLCUSSRBIPE-ZDUSSCGKSA-N 0 0 259.349 3.210 20 10 CGCDRN CCN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108583738 392343697 /nfs/dbraw/zinc/34/36/97/392343697.db2.gz VMOZYQZUTVQGOY-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN CN(C)c1ccc(CNc2ccnc(C3CC3)n2)cc1 ZINC000110117554 392378406 /nfs/dbraw/zinc/37/84/06/392378406.db2.gz VUMRBOZZLXJYHT-UHFFFAOYSA-N 0 0 268.364 3.032 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)noc2C)cc1F ZINC000121813532 392415796 /nfs/dbraw/zinc/41/57/96/392415796.db2.gz MWNGTVDFXUIAAM-UHFFFAOYSA-N 0 0 264.300 3.076 20 10 CGCDRN Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000370798579 392509120 /nfs/dbraw/zinc/50/91/20/392509120.db2.gz RADAYWBCTKNXCO-GOSISDBHSA-N 0 0 294.398 3.483 20 10 CGCDRN CN(C)c1ccc(CNc2sccc2[N+](=O)[O-])cc1F ZINC000301925327 392602613 /nfs/dbraw/zinc/60/26/13/392602613.db2.gz GRJKXRHCOMWUKI-UHFFFAOYSA-N 0 0 295.339 3.474 20 10 CGCDRN CCc1ncnc(N[C@@H](C)c2cc(OC)ccc2O)c1F ZINC000301965189 392604763 /nfs/dbraw/zinc/60/47/63/392604763.db2.gz KBAUYODGBYODQY-VIFPVBQESA-N 0 0 291.326 3.065 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCc1noc(C2CC2)n1 ZINC000178193336 392674418 /nfs/dbraw/zinc/67/44/18/392674418.db2.gz NGTNHKYLYOZXRE-UHFFFAOYSA-N 0 0 285.347 3.126 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(Cl)c2)c(OC)c1 ZINC000179004829 392687275 /nfs/dbraw/zinc/68/72/75/392687275.db2.gz YLOKVHPYARDZDP-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN O=C(C[C@H]1C=CCC1)NCc1c(O)ccc2c1CCCC2 ZINC000174519099 392642454 /nfs/dbraw/zinc/64/24/54/392642454.db2.gz NMOMYLOXXHQRLJ-ZDUSSCGKSA-N 0 0 285.387 3.244 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnccc1C ZINC000348657962 393127509 /nfs/dbraw/zinc/12/75/09/393127509.db2.gz DMHCCBWNPPFQHC-UHFFFAOYSA-N 0 0 293.370 3.120 20 10 CGCDRN CCC1(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000348666877 393127515 /nfs/dbraw/zinc/12/75/15/393127515.db2.gz NXHMJRLZIVPLEK-UHFFFAOYSA-N 0 0 270.376 3.293 20 10 CGCDRN CC[C@@H](Nc1ccc(OC)nc1)c1ccccc1O ZINC000019877860 170906634 /nfs/dbraw/zinc/90/66/34/170906634.db2.gz CARLCZOSTUIYKL-CYBMUJFWSA-N 0 0 258.321 3.359 20 10 CGCDRN O=c1cc(CSc2nccs2)c2ccc(O)cc2o1 ZINC000045336828 175360780 /nfs/dbraw/zinc/36/07/80/175360780.db2.gz JZNBXIJUZHMHBS-UHFFFAOYSA-N 0 0 291.353 3.247 20 10 CGCDRN Cc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)n1C ZINC000352110862 228183589 /nfs/dbraw/zinc/18/35/89/228183589.db2.gz HAPDZMJVZXQCFJ-UHFFFAOYSA-N 0 0 295.386 3.064 20 10 CGCDRN CC(C)(C)c1cnc(SCc2nccc(N)n2)s1 ZINC000163291951 261311584 /nfs/dbraw/zinc/31/15/84/261311584.db2.gz FUTAUMAINOBCPO-UHFFFAOYSA-N 0 0 280.422 3.105 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cccnc2C)cc1 ZINC000170989893 261454339 /nfs/dbraw/zinc/45/43/39/261454339.db2.gz ITZBUNICJSQAGN-UHFFFAOYSA-N 0 0 297.402 3.166 20 10 CGCDRN Cc1cscc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175810263 261624524 /nfs/dbraw/zinc/62/45/24/261624524.db2.gz SBURNUKOBFDQDS-UHFFFAOYSA-N 0 0 288.416 3.395 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1[C@@H]2CCC[C@H]12 ZINC000177709333 261713355 /nfs/dbraw/zinc/71/33/55/261713355.db2.gz IGWLIYSHIXIZGY-MZBDJJRSSA-N 0 0 273.376 3.177 20 10 CGCDRN Cc1ccc(C(=O)N(C)C2CCCCCC2)c(O)c1O ZINC000179412096 261785010 /nfs/dbraw/zinc/78/50/10/261785010.db2.gz VBBVZYJUDRJYSO-UHFFFAOYSA-N 0 0 277.364 3.201 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC3(CC3)C2)c1[O-] ZINC000186998395 262120946 /nfs/dbraw/zinc/12/09/46/262120946.db2.gz PXFURPMYQBCUGM-UHFFFAOYSA-N 0 0 277.339 3.110 20 10 CGCDRN CC(C)(C)[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272543127 263006214 /nfs/dbraw/zinc/00/62/14/263006214.db2.gz YCKVLGGWKGWRML-HEWZJLJBSA-N 0 0 289.375 3.148 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000367975130 267132162 /nfs/dbraw/zinc/13/21/62/267132162.db2.gz VZFVTVUCOHKDCU-ZWNOBZJWSA-N 0 0 251.757 3.420 20 10 CGCDRN CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282766805 277037687 /nfs/dbraw/zinc/03/76/87/277037687.db2.gz VWIIUXYMRDWAAA-LLVKDONJSA-N 0 0 280.799 3.212 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(F)cc1[O-] ZINC000273347909 278358793 /nfs/dbraw/zinc/35/87/93/278358793.db2.gz BBGXNJALFCKFJP-GFCCVEGCSA-N 0 0 288.366 3.448 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CCCO)c1cccc(Cl)c1[O-] ZINC000287702048 288058706 /nfs/dbraw/zinc/05/87/06/288058706.db2.gz NRBDLXDJUAMVPN-GWCFXTLKSA-N 0 0 271.788 3.247 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCCc2c(F)cccc21 ZINC000493842396 279728289 /nfs/dbraw/zinc/72/82/89/279728289.db2.gz HEDSGYUZERDXIK-SREVYHEPSA-N 0 0 288.347 3.275 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(N(C)C)cc2)c1 ZINC000057611114 327930478 /nfs/dbraw/zinc/93/04/78/327930478.db2.gz JMAOZZXEDUIRJR-UHFFFAOYSA-N 0 0 272.348 3.079 20 10 CGCDRN O=C1[C@@H](Sc2nccs2)CCN1c1ccccc1 ZINC000068051306 329851672 /nfs/dbraw/zinc/85/16/72/329851672.db2.gz VUCNQOILEMLYFW-NSHDSACASA-N 0 0 276.386 3.041 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(F)cc1[O-] ZINC000528036661 330302968 /nfs/dbraw/zinc/30/29/68/330302968.db2.gz WXUFRMKZUVTSOK-ZJUUUORDSA-N 0 0 278.302 3.477 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(C)(C)C ZINC000437026511 330691412 /nfs/dbraw/zinc/69/14/12/330691412.db2.gz PHBDJSHUMCCGRG-UHFFFAOYSA-N 0 0 290.407 3.304 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000472221186 331531938 /nfs/dbraw/zinc/53/19/38/331531938.db2.gz MOWOPSXBUKVBGH-XOIINTDNSA-N 0 0 297.402 3.084 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N1CCc2c1cccc2F ZINC000492657479 332408416 /nfs/dbraw/zinc/40/84/16/332408416.db2.gz XNPJMZYPDXFXJC-WAYWQWQTSA-N 0 0 288.347 3.193 20 10 CGCDRN CC(C)CN(C(=O)/C=C/c1cnccn1)c1ccccc1 ZINC000492908908 332418088 /nfs/dbraw/zinc/41/80/88/332418088.db2.gz GXUZCOREMZQEIG-CMDGGOBGSA-N 0 0 281.359 3.179 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccccc2F)cn1 ZINC000492997756 332422068 /nfs/dbraw/zinc/42/20/68/332422068.db2.gz OCJXRAVTIQBYPU-MDZDMXLPSA-N 0 0 270.307 3.205 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2cccc(F)c2O1 ZINC000185645918 333145804 /nfs/dbraw/zinc/14/58/04/333145804.db2.gz MDOMIHAVEQDKGW-ABZNLYFFSA-N 0 0 298.317 3.048 20 10 CGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1cncc(C)c1 ZINC000123819702 333553713 /nfs/dbraw/zinc/55/37/13/333553713.db2.gz JWQLEQYDEVZCKR-ZZXKWVIFSA-N 0 0 294.354 3.001 20 10 CGCDRN CC(C)n1cccc1C(=O)N(C)Cc1ccccc1O ZINC000136460674 334155383 /nfs/dbraw/zinc/15/53/83/334155383.db2.gz VDEGBJYIAMGQQU-UHFFFAOYSA-N 0 0 272.348 3.047 20 10 CGCDRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000037027498 519825683 /nfs/dbraw/zinc/82/56/83/519825683.db2.gz AIXYWDMRTYVRAV-KBRIMQKVSA-N 0 0 288.435 3.388 20 10 CGCDRN CC(C)[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000278401973 519825984 /nfs/dbraw/zinc/82/59/84/519825984.db2.gz QSTFVIHDVIBMOZ-KXPUMZMLSA-N 0 0 293.370 3.276 20 10 CGCDRN CC(C)c1ccoc1C(=O)N(C)Cc1ccccc1O ZINC000285380997 519848431 /nfs/dbraw/zinc/84/84/31/519848431.db2.gz UNMDKCSWJWKNDJ-UHFFFAOYSA-N 0 0 273.332 3.381 20 10 CGCDRN CCCC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236885859 521249666 /nfs/dbraw/zinc/24/96/66/521249666.db2.gz CVJYYXNRHNDDQF-GOEBONIOSA-N 0 0 274.408 3.286 20 10 CGCDRN CCOc1cccc(CNc2ccc(C)nc2C)c1O ZINC000094664079 521378746 /nfs/dbraw/zinc/37/87/46/521378746.db2.gz XFISYRJLOURYMT-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN CCC[N@H+](CCc1ccccn1)Cc1cccc(F)c1[O-] ZINC000289779924 521672975 /nfs/dbraw/zinc/67/29/75/521672975.db2.gz LBGLXFCLSASBSE-UHFFFAOYSA-N 0 0 288.366 3.381 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1C=CCC1 ZINC000299697113 521687984 /nfs/dbraw/zinc/68/79/84/521687984.db2.gz YFQCNKKYEQDWRP-CQSZACIVSA-N 0 0 273.376 3.487 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000080504627 522023244 /nfs/dbraw/zinc/02/32/44/522023244.db2.gz SGQLAGSRPDJMTE-OLZOCXBDSA-N 0 0 278.396 3.358 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCC2(F)F)cc1 ZINC000294412990 522203113 /nfs/dbraw/zinc/20/31/13/522203113.db2.gz MVAHOYZDOQNJGF-CQSZACIVSA-N 0 0 296.361 3.194 20 10 CGCDRN CCc1nc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000292827485 522204700 /nfs/dbraw/zinc/20/47/00/522204700.db2.gz QRJTVRDQUYXMAY-UHFFFAOYSA-N 0 0 280.755 3.194 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000286265263 522852686 /nfs/dbraw/zinc/85/26/86/522852686.db2.gz VCJFDSSZVWWRJD-UKRRQHHQSA-N 0 0 295.379 3.367 20 10 CGCDRN CCc1sc(C(=O)NCc2ccccc2O)cc1C ZINC000299538526 523073650 /nfs/dbraw/zinc/07/36/50/523073650.db2.gz IQKSATKJJIOSEL-UHFFFAOYSA-N 0 0 275.373 3.255 20 10 CGCDRN CC[C@H](C(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000297237599 523784231 /nfs/dbraw/zinc/78/42/31/523784231.db2.gz PLAMDARJPYCRTN-KRWDZBQOSA-N 0 0 298.386 3.087 20 10 CGCDRN Cc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000060678691 524162954 /nfs/dbraw/zinc/16/29/54/524162954.db2.gz XXEJQEGWHBEGHO-UHFFFAOYSA-N 0 0 282.387 3.333 20 10 CGCDRN C[C@@H](NC(=O)CSc1nccs1)c1cccs1 ZINC000298687265 525124541 /nfs/dbraw/zinc/12/45/41/525124541.db2.gz BRGSYAIREWXLHC-MRVPVSSYSA-N 0 0 284.431 3.174 20 10 CGCDRN C[C@@H]([NH2+]CC1CCSCC1)c1ccc(F)c(F)c1[O-] ZINC000276978210 525427729 /nfs/dbraw/zinc/42/77/29/525427729.db2.gz VKJHMXTWVULWOL-SECBINFHSA-N 0 0 287.375 3.464 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(F)cc1[O-] ZINC000062748024 525462238 /nfs/dbraw/zinc/46/22/38/525462238.db2.gz JUGSPCDLJNPFAP-LLVKDONJSA-N 0 0 275.323 3.130 20 10 CGCDRN Cc1ccc([C@@H](C)CNC(=O)NCc2ccccc2O)cc1 ZINC000265728010 525683911 /nfs/dbraw/zinc/68/39/11/525683911.db2.gz JNSINUPZEDTJPE-AWEZNQCLSA-N 0 0 298.386 3.304 20 10 CGCDRN C[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO[C@H]1C1CC1 ZINC000293535134 525873008 /nfs/dbraw/zinc/87/30/08/525873008.db2.gz FGKQZMDNDCWHME-LSDHHAIUSA-N 0 0 299.773 3.232 20 10 CGCDRN Nc1ccc(CC(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000082699991 527477194 /nfs/dbraw/zinc/47/71/94/527477194.db2.gz XFUXUDZMAPQKOV-UHFFFAOYSA-N 0 0 294.398 3.049 20 10 CGCDRN CCC(CC)[C@@H](CCNC(=O)C1=CC(=O)CS1)OC ZINC000747618377 572936757 /nfs/dbraw/zinc/93/67/57/572936757.db2.gz WMYDNGIBUHFZJH-GFCCVEGCSA-N 0 0 285.409 3.025 20 10 CGCDRN CC[C@H](C)NC(=S)NCc1ccc(N(CC)CC)cc1 ZINC000749762871 571712062 /nfs/dbraw/zinc/71/20/62/571712062.db2.gz DFOHQPAJMDBYDM-ZDUSSCGKSA-N 0 0 293.480 3.295 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccncc2)cc1 ZINC000728219640 571795468 /nfs/dbraw/zinc/79/54/68/571795468.db2.gz NFHJEOGOZBJBMS-UHFFFAOYSA-N 0 0 297.402 3.200 20 10 CGCDRN COc1ccc(N(CCn2cc(C)cn2)C(C)C)cc1F ZINC000730085586 571948532 /nfs/dbraw/zinc/94/85/32/571948532.db2.gz LDDLTMHVCHMMOC-UHFFFAOYSA-N 0 0 291.370 3.254 20 10 CGCDRN C/C=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000737844141 572361871 /nfs/dbraw/zinc/36/18/71/572361871.db2.gz MQTAWIIUOWMRQI-ARJAWSKDSA-N 0 0 272.392 3.115 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCc1scnc1C ZINC000738300841 572371051 /nfs/dbraw/zinc/37/10/51/572371051.db2.gz ZEHYHSKCRIEAIN-UHFFFAOYSA-N 0 0 288.416 3.455 20 10 CGCDRN Cc1cccc(C)c1NC(=S)NCc1cccn1C ZINC000743062425 572393745 /nfs/dbraw/zinc/39/37/45/572393745.db2.gz ZZAHMLJVVFQVKA-UHFFFAOYSA-N 0 0 273.405 3.129 20 10 CGCDRN CCOc1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1 ZINC000739621073 572421208 /nfs/dbraw/zinc/42/12/08/572421208.db2.gz UCYQDPFKEQIMHU-WDZFZDKYSA-N 0 0 282.343 3.157 20 10 CGCDRN O=C(NCc1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000731862051 572430369 /nfs/dbraw/zinc/43/03/69/572430369.db2.gz YFNJDUTWTIAPHK-UHFFFAOYSA-N 0 0 267.737 3.037 20 10 CGCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)c1ccccc1F ZINC000731872323 572431073 /nfs/dbraw/zinc/43/10/73/572431073.db2.gz DWJCAZZIWWCBLF-UHFFFAOYSA-N 0 0 293.363 3.300 20 10 CGCDRN O=C(OCc1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000731910682 572436218 /nfs/dbraw/zinc/43/62/18/572436218.db2.gz ALVZVQJEDYDHAU-UHFFFAOYSA-N 0 0 268.721 3.464 20 10 CGCDRN Cc1cc(NCc2ccc(N3CCCCC3)cc2)ncn1 ZINC000731997400 572445321 /nfs/dbraw/zinc/44/53/21/572445321.db2.gz LQQSFMLGCIVOTF-UHFFFAOYSA-N 0 0 282.391 3.387 20 10 CGCDRN Cc1nc(CN(Cc2ccccc2O)C2CCCC2)no1 ZINC000732204418 572451877 /nfs/dbraw/zinc/45/18/77/572451877.db2.gz KVCFAQAHAWXACN-UHFFFAOYSA-N 0 0 287.363 3.028 20 10 CGCDRN O=C(NC[C@@H]1CCCc2ccccc21)C1=CC(=O)CS1 ZINC000732268486 572455800 /nfs/dbraw/zinc/45/58/00/572455800.db2.gz LYDDUXQSSMUYKM-LBPRGKRZSA-N 0 0 287.384 3.304 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000732267767 572455906 /nfs/dbraw/zinc/45/59/06/572455906.db2.gz VHELCHXJFWGSRU-KOLCDFICSA-N 0 0 253.367 3.104 20 10 CGCDRN C[C@H](c1ccccc1F)N(C)C(=O)C1=CC(=O)CS1 ZINC000732268021 572456086 /nfs/dbraw/zinc/45/60/86/572456086.db2.gz CHJDTCZVUJARGJ-SECBINFHSA-N 0 0 279.336 3.426 20 10 CGCDRN C[C@H]1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000732276734 572456859 /nfs/dbraw/zinc/45/68/59/572456859.db2.gz ZFLDFWWUDMBNGK-VHSXEESVSA-N 0 0 253.367 3.010 20 10 CGCDRN COc1ccc(F)cc1[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732272320 572457114 /nfs/dbraw/zinc/45/71/14/572457114.db2.gz DAOSVHPGOXQVJO-QMMMGPOBSA-N 0 0 295.335 3.092 20 10 CGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1nc(C)cs1 ZINC000732287477 572459086 /nfs/dbraw/zinc/45/90/86/572459086.db2.gz CKDGXTOMHLBOQH-VIFPVBQESA-N 0 0 282.390 3.100 20 10 CGCDRN COc1ccc(N2CCC(Nc3nccs3)CC2)cc1 ZINC000726594085 572587381 /nfs/dbraw/zinc/58/73/81/572587381.db2.gz HLXRPOWYOJLRJW-UHFFFAOYSA-N 0 0 289.404 3.233 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H](C)C1 ZINC000733646109 572592495 /nfs/dbraw/zinc/59/24/95/572592495.db2.gz PIZMBSUUNADIRE-BZPMIXESSA-N 0 0 276.380 3.016 20 10 CGCDRN CC(C)c1cc(NC(=O)N(C)Cc2ccccc2O)no1 ZINC000743220089 572642692 /nfs/dbraw/zinc/64/26/92/572642692.db2.gz DMDSOZCQLMPNPC-UHFFFAOYSA-N 0 0 289.335 3.168 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC000734389091 572654325 /nfs/dbraw/zinc/65/43/25/572654325.db2.gz NJPHWEXYWDQRCQ-LBPRGKRZSA-N 0 0 262.397 3.051 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C(C)(C)C)c1 ZINC000734549328 572665391 /nfs/dbraw/zinc/66/53/91/572665391.db2.gz RXWGTJXJMLCGEH-QWRGUYRKSA-N 0 0 279.380 3.260 20 10 CGCDRN CCC[C@H](C)c1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000743627372 572676108 /nfs/dbraw/zinc/67/61/08/572676108.db2.gz BXOKCDLEHNFLHU-QMMMGPOBSA-N 0 0 279.365 3.333 20 10 CGCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)[nH]1 ZINC000743718430 572680306 /nfs/dbraw/zinc/68/03/06/572680306.db2.gz ARFTZPQZUURTEA-UHFFFAOYSA-N 0 0 298.386 3.146 20 10 CGCDRN CC[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000735326938 572715045 /nfs/dbraw/zinc/71/50/45/572715045.db2.gz RNACRVDJWDWCLL-SNVBAGLBSA-N 0 0 253.367 3.106 20 10 CGCDRN CCN(CCCCCCCO)c1ccc(OC)cc1 ZINC000744391829 572748418 /nfs/dbraw/zinc/74/84/18/572748418.db2.gz LQYOCNQHVRWASF-UHFFFAOYSA-N 0 0 265.397 3.464 20 10 CGCDRN CCCc1noc(CN(CC)c2ccc(OCC)cc2)n1 ZINC000744391832 572748560 /nfs/dbraw/zinc/74/85/60/572748560.db2.gz LVIDPWMFPNZLGQ-UHFFFAOYSA-N 0 0 289.379 3.447 20 10 CGCDRN CCN(C[C@H](O)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000746108829 572853408 /nfs/dbraw/zinc/85/34/08/572853408.db2.gz FJZGKWYXNXQENZ-KRWDZBQOSA-N 0 0 289.350 3.394 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)cc1 ZINC000746493085 572873862 /nfs/dbraw/zinc/87/38/62/572873862.db2.gz QFVNDXWULSDNRI-UHFFFAOYSA-N 0 0 286.350 3.291 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC12CCCC2 ZINC000747307848 572923942 /nfs/dbraw/zinc/92/39/42/572923942.db2.gz JTBPBNWLQPVSNO-MRXNPFEDSA-N 0 0 286.419 3.258 20 10 CGCDRN CC1=C(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000747418060 572929061 /nfs/dbraw/zinc/92/90/61/572929061.db2.gz HWCDUHNYADVNFH-UHFFFAOYSA-N 0 0 285.387 3.388 20 10 CGCDRN CCC[C@H]1[C@H](C)CCCN1C(=O)C1=CC(=O)CS1 ZINC000748371591 572975218 /nfs/dbraw/zinc/97/52/18/572975218.db2.gz WKNBVBZYYCTASM-PWSUYJOCSA-N 0 0 267.394 3.495 20 10 CGCDRN Cc1cc(C)c2c(N)c(C(=O)OC/C=C\Cl)sc2n1 ZINC000748874825 572987065 /nfs/dbraw/zinc/98/70/65/572987065.db2.gz KZMKCIAKOVXXJK-ARJAWSKDSA-N 0 0 296.779 3.405 20 10 CGCDRN Cc1cc(O)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000833746865 604645755 /nfs/dbraw/zinc/64/57/55/604645755.db2.gz KNRXGPIIEKBRFS-QGZVFWFLSA-N 0 0 299.370 3.267 20 10 CGCDRN C[C@H](CC(F)(F)F)C(=O)NCc1cccc(Cl)c1O ZINC000890760971 617816883 /nfs/dbraw/zinc/81/68/83/617816883.db2.gz GXNYZVQTDJUKOW-SSDOTTSWSA-N 0 0 295.688 3.250 20 10 CGCDRN O=C(CC/C=C\c1ccccc1)NCc1ccc(O)c(O)c1 ZINC000255061746 617894497 /nfs/dbraw/zinc/89/44/97/617894497.db2.gz CGIBAJSDGWEHGU-YWEYNIOJSA-N 0 0 297.354 3.208 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc(F)c(Cl)c2)SC1=S ZINC000255060970 617894834 /nfs/dbraw/zinc/89/48/34/617894834.db2.gz PFRRMURJIYJZLK-WEVVVXLNSA-N 0 0 287.768 3.310 20 10 CGCDRN Nc1ccc(Cc2noc(CCC3CCCC3)n2)cc1 ZINC000843162691 617988351 /nfs/dbraw/zinc/98/83/51/617988351.db2.gz LADWFBOJYNELPL-UHFFFAOYSA-N 0 0 271.364 3.365 20 10 CGCDRN COc1ccc(NCc2cccc(C)c2O)cc1F ZINC000083445882 618008866 /nfs/dbraw/zinc/00/88/66/618008866.db2.gz MNWYHSZMOQAPSU-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1 ZINC000217012424 618039661 /nfs/dbraw/zinc/03/96/61/618039661.db2.gz QLFZPAXTWPSTQC-WAPJZHGLSA-N 0 0 289.718 3.403 20 10 CGCDRN O=C(NC1(C2CCCCC2)CC1)C1=CC(=O)CS1 ZINC000891275297 618075646 /nfs/dbraw/zinc/07/56/46/618075646.db2.gz CRHLJYUFWOSLPA-UHFFFAOYSA-N 0 0 265.378 3.296 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccnn1C1CCC1 ZINC000891406553 618189764 /nfs/dbraw/zinc/18/97/64/618189764.db2.gz JWCAUQNDDZDYPV-UHFFFAOYSA-N 0 0 283.375 3.179 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)cc1O ZINC000077258269 618222552 /nfs/dbraw/zinc/22/25/52/618222552.db2.gz FSDQPAVJLASTDT-UHFFFAOYSA-N 0 0 291.734 3.023 20 10 CGCDRN O=C(/C=C\c1cccnc1)N1CCc2ccc(Cl)cc21 ZINC000255369893 618241057 /nfs/dbraw/zinc/24/10/57/618241057.db2.gz CPOQFJGFMRLDAY-UTCJRWHESA-N 0 0 284.746 3.338 20 10 CGCDRN CCC(C)(C)OCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000308688396 618342421 /nfs/dbraw/zinc/34/24/21/618342421.db2.gz CZMOHCOTSIEKBV-LLVKDONJSA-N 0 0 269.360 3.387 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc2c[nH]nc2c1 ZINC000127717111 618632010 /nfs/dbraw/zinc/63/20/10/618632010.db2.gz ZLJWVYSZPJBINR-UHFFFAOYSA-N 0 0 279.343 3.134 20 10 CGCDRN CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000235120503 618665769 /nfs/dbraw/zinc/66/57/69/618665769.db2.gz JEVNPDXKMSBBSR-OLZOCXBDSA-N 0 0 279.409 3.065 20 10 CGCDRN O=C(/C=C\c1cccnc1)N1CCCc2cccc(F)c21 ZINC000255669118 618774604 /nfs/dbraw/zinc/77/46/04/618774604.db2.gz DVGPEFKBKQAJGF-HJWRWDBZSA-N 0 0 282.318 3.213 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(C)nc2)cc1 ZINC000154760163 618830703 /nfs/dbraw/zinc/83/07/03/618830703.db2.gz VSTCXOPTZDLVCC-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN CC(C)[C@@H](Sc1nccs1)C(=O)NCc1ccco1 ZINC000048876004 618874891 /nfs/dbraw/zinc/87/48/91/618874891.db2.gz SFYAWPIYNFZBCC-LLVKDONJSA-N 0 0 296.417 3.169 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000309779331 618955775 /nfs/dbraw/zinc/95/57/75/618955775.db2.gz MNINQNBSAASOFZ-BXKDBHETSA-N 0 0 284.197 3.351 20 10 CGCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185123376 625308613 /nfs/dbraw/zinc/30/86/13/625308613.db2.gz PVYZGTHEIPMKMO-MCIONIFRSA-N 0 0 294.414 3.302 20 10 CGCDRN COc1cccc(CN2CC3(CC3)c3ccccc32)c1O ZINC000180752924 619018846 /nfs/dbraw/zinc/01/88/46/619018846.db2.gz KTEZHTDQUBBSJD-UHFFFAOYSA-N 0 0 281.355 3.453 20 10 CGCDRN Cc1cc(Br)c(O)c(CNCC(F)(F)F)c1 ZINC000309910735 619030573 /nfs/dbraw/zinc/03/05/73/619030573.db2.gz MOQJNVPWHLHQHZ-UHFFFAOYSA-N 0 0 298.102 3.115 20 10 CGCDRN CCCc1nc(CN(C)c2ccc(OC(C)C)cc2)no1 ZINC000191580324 619111271 /nfs/dbraw/zinc/11/12/71/619111271.db2.gz NOKMQMDEZMSKEI-UHFFFAOYSA-N 0 0 289.379 3.446 20 10 CGCDRN CSCC[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162667613 619125514 /nfs/dbraw/zinc/12/55/14/619125514.db2.gz BZRILEADDGNYKB-VIFPVBQESA-N 0 0 259.802 3.277 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000053915655 619228374 /nfs/dbraw/zinc/22/83/74/619228374.db2.gz QGYHYKWPSZNGLY-UHFFFAOYSA-N 0 0 298.317 3.285 20 10 CGCDRN COCc1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894103366 619374696 /nfs/dbraw/zinc/37/46/96/619374696.db2.gz WEZHUVMJHAYGDR-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN O=C(NCC1CCC=CCC1)N1Cc2cccc(O)c2C1 ZINC000927718237 619387651 /nfs/dbraw/zinc/38/76/51/619387651.db2.gz VYTPLSBCAXTGPJ-UHFFFAOYSA-N 0 0 286.375 3.164 20 10 CGCDRN COc1cc(C)cc(CNc2cc(C)ccn2)c1O ZINC000894196845 619409997 /nfs/dbraw/zinc/40/99/97/619409997.db2.gz FSNOYZDLJKBNRM-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN COc1ccccc1CC(C)(C)C(=O)Nc1ccc(N)cc1 ZINC000237137199 619504073 /nfs/dbraw/zinc/50/40/73/619504073.db2.gz FZJHNKOPNWNZKG-UHFFFAOYSA-N 0 0 298.386 3.485 20 10 CGCDRN CN(C)c1cc(F)c(CN2CC(C(F)(F)F)C2)cc1F ZINC000894891298 619670144 /nfs/dbraw/zinc/67/01/44/619670144.db2.gz YCENEDKCYKHLQX-UHFFFAOYSA-N 0 0 294.267 3.025 20 10 CGCDRN CN(Cc1cscn1)Cc1c(O)ccc2ccncc21 ZINC000049048608 619677199 /nfs/dbraw/zinc/67/71/99/619677199.db2.gz IXUVXYFUGPOQTA-UHFFFAOYSA-N 0 0 285.372 3.029 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CC(C)C)c1 ZINC000163153576 619730516 /nfs/dbraw/zinc/73/05/16/619730516.db2.gz TVNJCYGLHJLLAD-RYUDHWBXSA-N 0 0 294.395 3.196 20 10 CGCDRN CCC[C@](C)(CC)C(=O)NCc1cc(OC)ccc1O ZINC000793688340 619733994 /nfs/dbraw/zinc/73/39/94/619733994.db2.gz FDWLDTZGGNSGCL-INIZCTEOSA-N 0 0 279.380 3.233 20 10 CGCDRN [O-]c1c(C[NH+]2CCC3(CCCCO3)CC2)ccc(F)c1F ZINC000895656807 619864466 /nfs/dbraw/zinc/86/44/66/619864466.db2.gz VYGKCCPTDCWJMV-UHFFFAOYSA-N 0 0 297.345 3.206 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000895679767 619871738 /nfs/dbraw/zinc/87/17/38/619871738.db2.gz IBYUVSKWQYWQLG-HIFRSBDPSA-N 0 0 299.773 3.376 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895843853 619893156 /nfs/dbraw/zinc/89/31/56/619893156.db2.gz DKJMDWFXVVMDIK-IINYFYTJSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847217 619896190 /nfs/dbraw/zinc/89/61/90/619896190.db2.gz NBISRYUNVZUYJN-IINYFYTJSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cccc2c1NCCC2 ZINC000896641573 620042312 /nfs/dbraw/zinc/04/23/12/620042312.db2.gz MVSICFQHDBWALS-UHFFFAOYSA-N 0 0 286.350 3.179 20 10 CGCDRN C[C@@H](O)c1cc(NCc2ccccc2O)ccc1F ZINC000796520374 620103320 /nfs/dbraw/zinc/10/33/20/620103320.db2.gz UBQQUARJSQXKPY-SNVBAGLBSA-N 0 0 261.296 3.197 20 10 CGCDRN COc1ccc(O)c(CNc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000897114082 620147823 /nfs/dbraw/zinc/14/78/23/620147823.db2.gz JIZJERMWZPBLSJ-LLVKDONJSA-N 0 0 285.343 3.336 20 10 CGCDRN COCCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000303002262 620185628 /nfs/dbraw/zinc/18/56/28/620185628.db2.gz UXPVWZGMPLKCFX-UHFFFAOYSA-N 0 0 289.297 3.374 20 10 CGCDRN Cc1ncccc1NCc1cc(Br)ccc1O ZINC000163319644 620249633 /nfs/dbraw/zinc/24/96/33/620249633.db2.gz OTFANAGXLSWBSK-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC000897442054 620336876 /nfs/dbraw/zinc/33/68/76/620336876.db2.gz PKGIKOXAQMVPCC-UHFFFAOYSA-N 0 0 299.361 3.213 20 10 CGCDRN Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1C1CC1 ZINC000054486386 620356378 /nfs/dbraw/zinc/35/63/78/620356378.db2.gz JVOZTIOJCPOHCY-KPKJPENVSA-N 0 0 292.429 3.271 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000897727837 620421692 /nfs/dbraw/zinc/42/16/92/620421692.db2.gz SXRAXRKUSGEKGI-CQSZACIVSA-N 0 0 297.345 3.252 20 10 CGCDRN O=C(N[C@H]1CCCC2(CC2)C1)N1Cc2cccc(O)c2C1 ZINC000897762842 620424964 /nfs/dbraw/zinc/42/49/64/620424964.db2.gz RASPFUCOVUMYFU-ZDUSSCGKSA-N 0 0 286.375 3.140 20 10 CGCDRN Cc1cc(O)c(CNc2noc3c2CCCC3)cc1C ZINC000902276802 621240033 /nfs/dbraw/zinc/24/00/33/621240033.db2.gz DZABQHIQVLXJKI-UHFFFAOYSA-N 0 0 272.348 3.488 20 10 CGCDRN c1cc(COc2ccc(N3CCCC3)cc2)sn1 ZINC000902717559 621407103 /nfs/dbraw/zinc/40/71/03/621407103.db2.gz SGBCZHLJGHGISZ-UHFFFAOYSA-N 0 0 260.362 3.322 20 10 CGCDRN C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1c([O-])cccc1F ZINC000903281204 621660927 /nfs/dbraw/zinc/66/09/27/621660927.db2.gz YYHKRNKHCWUGJL-GUVYTERUSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903316767 621687583 /nfs/dbraw/zinc/68/75/83/621687583.db2.gz HKUGTNOTMIRPFQ-BDAKNGLRSA-N 0 0 289.206 3.054 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1cc(F)cc(F)c1[O-] ZINC000903384219 621725072 /nfs/dbraw/zinc/72/50/72/621725072.db2.gz UYHKWRNPSNLZPP-YGRLFVJLSA-N 0 0 297.345 3.423 20 10 CGCDRN Cc1cc(Cc2nc(N(C)C)no2)c(C)n1-c1ccccc1 ZINC000904657830 621946802 /nfs/dbraw/zinc/94/68/02/621946802.db2.gz LMNBCKYDDHPTEL-UHFFFAOYSA-N 0 0 296.374 3.134 20 10 CGCDRN CC(C)c1cc(NCc2cc(F)cc(F)c2O)no1 ZINC000905411375 622068924 /nfs/dbraw/zinc/06/89/24/622068924.db2.gz KMBLEDLSCSUPNR-UHFFFAOYSA-N 0 0 268.263 3.394 20 10 CGCDRN C[C@H]1CC[C@@](C)(C(=O)NCc2ccc(O)cc2O)C1(C)C ZINC000910944529 622511444 /nfs/dbraw/zinc/51/14/44/622511444.db2.gz NOVJOTNUBANNAG-GTNSWQLSSA-N 0 0 291.391 3.176 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)/C(F)=C\C1CCCCC1 ZINC000910947024 622511848 /nfs/dbraw/zinc/51/18/48/622511848.db2.gz ZPSHIPFDGOXBED-RIYZIHGNSA-N 0 0 293.338 3.148 20 10 CGCDRN Cc1ccccc1[C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000911783502 622549899 /nfs/dbraw/zinc/54/98/99/622549899.db2.gz VOBMJFXHUSWAIW-CQSZACIVSA-N 0 0 282.387 3.040 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(C(=O)OC)o2)cc1 ZINC000150733136 622657913 /nfs/dbraw/zinc/65/79/13/622657913.db2.gz JSYPTPZJTRMZTA-UHFFFAOYSA-N 0 0 289.331 3.101 20 10 CGCDRN CCOc1ccc(N(C)Cc2nc(C(C)(C)C)no2)cc1 ZINC000150733675 622657989 /nfs/dbraw/zinc/65/79/89/622657989.db2.gz SELPARUJEJMUPS-UHFFFAOYSA-N 0 0 289.379 3.402 20 10 CGCDRN CCCN(Cc1cc(F)ccc1O)CC(F)(F)F ZINC000226562522 622981101 /nfs/dbraw/zinc/98/11/01/622981101.db2.gz QQZIIJKVAPXCBZ-UHFFFAOYSA-N 0 0 265.250 3.306 20 10 CGCDRN COc1ccc(NCc2cc(F)ccc2O)cc1OC ZINC000226580553 622983457 /nfs/dbraw/zinc/98/34/57/622983457.db2.gz QNVOPWZAOLMXGT-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226586174 622985904 /nfs/dbraw/zinc/98/59/04/622985904.db2.gz ZYSRMCJGTQHPRD-RYUDHWBXSA-N 0 0 251.345 3.447 20 10 CGCDRN CC(=O)Nc1ccc(NCc2cccc(C)c2O)cc1 ZINC000158051304 622994017 /nfs/dbraw/zinc/99/40/17/622994017.db2.gz IBWQJSPZNIECDL-UHFFFAOYSA-N 0 0 270.332 3.271 20 10 CGCDRN C[C@H](C1CC1)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000158075390 623004314 /nfs/dbraw/zinc/00/43/14/623004314.db2.gz HYRDHQJFAICBTO-SECBINFHSA-N 0 0 284.197 3.385 20 10 CGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCCC3)c2C)cc1 ZINC000061036268 623089270 /nfs/dbraw/zinc/08/92/70/623089270.db2.gz RELKUBCIIPIWMG-UHFFFAOYSA-N 0 0 298.386 3.339 20 10 CGCDRN C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817936429 625619815 /nfs/dbraw/zinc/61/98/15/625619815.db2.gz OMUFVYUVYFRQAS-MRVPVSSYSA-N 0 0 289.206 3.102 20 10 CGCDRN CC(C)CCOCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748376 623268384 /nfs/dbraw/zinc/26/83/84/623268384.db2.gz HPFHJVCBFOVGBP-GFCCVEGCSA-N 0 0 269.360 3.245 20 10 CGCDRN c1csc(SCc2ccc(N3CCOCC3)cc2)n1 ZINC000916759331 624212284 /nfs/dbraw/zinc/21/22/84/624212284.db2.gz JRHQLKMBOQDWMJ-UHFFFAOYSA-N 0 0 292.429 3.272 20 10 CGCDRN C[C@H](C1CC1)N(C)C(=O)NCCCSc1nccs1 ZINC000154633399 624331484 /nfs/dbraw/zinc/33/14/84/624331484.db2.gz HEABRDMHUYSTTI-SNVBAGLBSA-N 0 0 299.465 3.065 20 10 CGCDRN CC[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154661012 624340852 /nfs/dbraw/zinc/34/08/52/624340852.db2.gz QMVCHPZYJWDWOA-NSHDSACASA-N 0 0 299.465 3.067 20 10 CGCDRN Cc1cc(Cn2ccnc2C(F)(F)F)ccc1N(C)C ZINC000919900422 624431398 /nfs/dbraw/zinc/43/13/98/624431398.db2.gz HNIRANTVABPKJU-UHFFFAOYSA-N 0 0 283.297 3.325 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)CC(C)C)c1 ZINC000175545371 624645779 /nfs/dbraw/zinc/64/57/79/624645779.db2.gz UEINCYSIPANOSB-UHFFFAOYSA-N 0 0 279.380 3.089 20 10 CGCDRN C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000068015469 624671259 /nfs/dbraw/zinc/67/12/59/624671259.db2.gz HLYDWWFGWPNVSG-CQSZACIVSA-N 0 0 286.419 3.339 20 10 CGCDRN Cc1ccc(CCC(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000237688141 624673890 /nfs/dbraw/zinc/67/38/90/624673890.db2.gz MSCOXNRKPMMYBO-UHFFFAOYSA-N 0 0 268.360 3.457 20 10 CGCDRN COc1cccc(CNC(=O)CCC2CCCCC2)c1O ZINC000068488573 624725248 /nfs/dbraw/zinc/72/52/48/624725248.db2.gz DRQMULNXBPMBFD-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN Cc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000180582409 624759671 /nfs/dbraw/zinc/75/96/71/624759671.db2.gz GQPAKFAERHBLFA-VQHVLOKHSA-N 0 0 283.327 3.367 20 10 CGCDRN CN1C(=O)/C(=C\c2cccc3cnccc23)SC1=S ZINC000180922463 624788233 /nfs/dbraw/zinc/78/82/33/624788233.db2.gz GCTNSIUIQIPKNU-KPKJPENVSA-N 0 0 286.381 3.066 20 10 CGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000181118813 624810258 /nfs/dbraw/zinc/81/02/58/624810258.db2.gz RGZJZEYQXOQQHQ-ZJNQMXKESA-N 0 0 289.375 3.196 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@H](C)C1 ZINC000070115891 624957369 /nfs/dbraw/zinc/95/73/69/624957369.db2.gz GBJFZADWKANKPJ-GYSYKLTISA-N 0 0 261.369 3.215 20 10 CGCDRN CC[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000756399738 625965837 /nfs/dbraw/zinc/96/58/37/625965837.db2.gz GDVIDSGJOGELBR-WCQYABFASA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756418136 626084560 /nfs/dbraw/zinc/08/45/60/626084560.db2.gz PUJNTKIIVYPXJT-VXGBXAGGSA-N 0 0 298.377 3.195 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000124646539 634477837 /nfs/dbraw/zinc/47/78/37/634477837.db2.gz SLPWWAVULGUTMF-UHFFFAOYSA-N 0 0 277.751 3.344 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000124711853 634486339 /nfs/dbraw/zinc/48/63/39/634486339.db2.gz YLRCNQZCOCEANZ-UHFFFAOYSA-N 0 0 262.740 3.039 20 10 CGCDRN C/C(=C\C(=O)N1CCCc2cccc(C)c21)c1cnccn1 ZINC000839228466 626331049 /nfs/dbraw/zinc/33/10/49/626331049.db2.gz PVKZSOYRZLIQNE-SDNWHVSQSA-N 0 0 293.370 3.168 20 10 CGCDRN CC(C)=C(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000751381732 626387858 /nfs/dbraw/zinc/38/78/58/626387858.db2.gz NCQPAMHTYCUXOE-UHFFFAOYSA-N 0 0 260.381 3.034 20 10 CGCDRN CC(C)(C)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000753222346 626448121 /nfs/dbraw/zinc/44/81/21/626448121.db2.gz QRSFKYGVKKYMLK-VUDGCMKMSA-N 0 0 289.375 3.006 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCc3c2cccc3C)cn1 ZINC000754197571 626563797 /nfs/dbraw/zinc/56/37/97/626563797.db2.gz YGYXYTCUTGKOOE-HJWRWDBZSA-N 0 0 278.355 3.301 20 10 CGCDRN Cc1cccc(Cl)c1CC(=O)NCc1ccccc1O ZINC000754207505 626564112 /nfs/dbraw/zinc/56/41/12/626564112.db2.gz MZCKPUCJUKIPLC-UHFFFAOYSA-N 0 0 289.762 3.213 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(-c3nc[nH]n3)c2)c1 ZINC000754826188 626588975 /nfs/dbraw/zinc/58/89/75/626588975.db2.gz KOQTVEJPROHQAE-UHFFFAOYSA-N 0 0 280.331 3.098 20 10 CGCDRN C[C@H]([NH2+]CCc1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756370448 626697723 /nfs/dbraw/zinc/69/77/23/626697723.db2.gz IRDKVMLSNBWWOJ-VIFPVBQESA-N 0 0 267.275 3.157 20 10 CGCDRN C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756401507 626701631 /nfs/dbraw/zinc/70/16/31/626701631.db2.gz POALPYJQHHTZIQ-RYUDHWBXSA-N 0 0 298.377 3.195 20 10 CGCDRN Cc1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756442436 626706267 /nfs/dbraw/zinc/70/62/67/626706267.db2.gz POWIXIKDBWDDOC-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756568101 626715686 /nfs/dbraw/zinc/71/56/86/626715686.db2.gz BDMXTAZXTCCDTF-LKFCYVNXSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+]CC1CCSCC1)c1cc(F)cc(F)c1[O-] ZINC000756573466 626716855 /nfs/dbraw/zinc/71/68/55/626716855.db2.gz JXZMCGVKMKKJJX-VIFPVBQESA-N 0 0 287.375 3.464 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cc(F)cc(F)c1[O-] ZINC000756611386 626720543 /nfs/dbraw/zinc/72/05/43/626720543.db2.gz VRTHEHHFYKKZLQ-XTBZUSCZSA-N 0 0 297.345 3.135 20 10 CGCDRN CN(CCOc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000756654406 626724576 /nfs/dbraw/zinc/72/45/76/626724576.db2.gz SONMGLKXNRTDGW-UHFFFAOYSA-N 0 0 289.306 3.070 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756648970 626724784 /nfs/dbraw/zinc/72/47/84/626724784.db2.gz MFLLWSXOMFNSTQ-ZEGGKSINSA-N 0 0 285.334 3.135 20 10 CGCDRN COc1ccc(C)cc1CN(C)c1ccc2c(c1)OCO2 ZINC000756653185 626724793 /nfs/dbraw/zinc/72/47/93/626724793.db2.gz CTTAVSJBEHOZSG-UHFFFAOYSA-N 0 0 285.343 3.369 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000756683202 626726566 /nfs/dbraw/zinc/72/65/66/626726566.db2.gz KMROOTUNOWWAQH-COPLHBTASA-N 0 0 277.364 3.018 20 10 CGCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756732120 626728256 /nfs/dbraw/zinc/72/82/56/626728256.db2.gz HKSFMSQKTQHEAT-NXEZZACHSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756763071 626729858 /nfs/dbraw/zinc/72/98/58/626729858.db2.gz YIIZFWDKMBJOOB-ONGXEEELSA-N 0 0 287.350 3.118 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756769209 626730568 /nfs/dbraw/zinc/73/05/68/626730568.db2.gz CQMWTXZJRAHQLI-SNVBAGLBSA-N 0 0 287.350 3.120 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H]1CCCO1 ZINC000756769563 626730739 /nfs/dbraw/zinc/73/07/39/626730739.db2.gz MQPJDYRLRVWMHS-QCZZGDTMSA-N 0 0 285.334 3.279 20 10 CGCDRN CC(C)CSCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756777156 626731069 /nfs/dbraw/zinc/73/10/69/626731069.db2.gz WBTCCVNMNMMJHS-LLVKDONJSA-N 0 0 298.408 3.340 20 10 CGCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756785269 626732076 /nfs/dbraw/zinc/73/20/76/626732076.db2.gz CFBFJEFINCNXJY-FMVNMVDZSA-N 0 0 293.382 3.484 20 10 CGCDRN C[C@@H](Nc1cnn(CC2CC2)c1)c1cc(F)cc(F)c1O ZINC000756854815 626737733 /nfs/dbraw/zinc/73/77/33/626737733.db2.gz GWNKJRBLTRGYQU-SECBINFHSA-N 0 0 293.317 3.450 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1cc(F)cc(F)c1O ZINC000756873675 626739107 /nfs/dbraw/zinc/73/91/07/626739107.db2.gz IQLZFEOZYOTLQO-MRVPVSSYSA-N 0 0 281.306 3.139 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000839787259 626789020 /nfs/dbraw/zinc/78/90/20/626789020.db2.gz LSGNNTKRTIXWIE-ZDUSSCGKSA-N 0 0 289.356 3.414 20 10 CGCDRN CC(C)[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874191621 634524139 /nfs/dbraw/zinc/52/41/39/634524139.db2.gz WHPGHLKMJIQJMO-CYBMUJFWSA-N 0 0 288.351 3.110 20 10 CGCDRN CC1(C)CN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000757774270 626807375 /nfs/dbraw/zinc/80/73/75/626807375.db2.gz XDRNDLBGQIPUMU-MDZDMXLPSA-N 0 0 278.355 3.419 20 10 CGCDRN CCOc1ccc(CNc2nnc(C(C)(C)C)o2)c(O)c1 ZINC000758456509 626844430 /nfs/dbraw/zinc/84/44/30/626844430.db2.gz HVTREOXQSYBLNO-UHFFFAOYSA-N 0 0 291.351 3.084 20 10 CGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000758562222 626849247 /nfs/dbraw/zinc/84/92/47/626849247.db2.gz RQSMDKSZOCLLOH-JTQLQIEISA-N 0 0 258.273 3.016 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H]2CC[C@H](C)O2)cc1 ZINC000759932314 626931858 /nfs/dbraw/zinc/93/18/58/626931858.db2.gz BKHVLDMMXBNBNA-XJKSGUPXSA-N 0 0 263.381 3.478 20 10 CGCDRN CCC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760018508 626936905 /nfs/dbraw/zinc/93/69/05/626936905.db2.gz OYJOOBODYRGNNY-SNVBAGLBSA-N 0 0 266.341 3.387 20 10 CGCDRN CC[C@H](CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000760659867 626983592 /nfs/dbraw/zinc/98/35/92/626983592.db2.gz OBNMYABNIMVAAJ-SECBINFHSA-N 0 0 292.257 3.121 20 10 CGCDRN Cc1cnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC000760820988 626993960 /nfs/dbraw/zinc/99/39/60/626993960.db2.gz YKJYLHXMASSDIK-UHFFFAOYSA-N 0 0 298.434 3.262 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C(F)=C2CCCC2)cc1 ZINC000762594602 627116776 /nfs/dbraw/zinc/11/67/76/627116776.db2.gz UNTVRNJCSXIYCO-UHFFFAOYSA-N 0 0 276.355 3.166 20 10 CGCDRN CC(C)c1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ncn1 ZINC000762800274 627124757 /nfs/dbraw/zinc/12/47/57/627124757.db2.gz QDUCUNTYGUUYKM-LLVKDONJSA-N 0 0 287.363 3.054 20 10 CGCDRN CC(C)C(C)(C)SCC(=O)c1ccc(O)c(O)c1 ZINC000762992968 627134461 /nfs/dbraw/zinc/13/44/61/627134461.db2.gz DEXGHLXIEOVIEH-UHFFFAOYSA-N 0 0 268.378 3.448 20 10 CGCDRN CCOC(=O)C[C@@H](C)Sc1ncc(Cl)s1 ZINC000765034655 627237627 /nfs/dbraw/zinc/23/76/27/627237627.db2.gz MKFQWQLRBPIVAT-ZCFIWIBFSA-N 0 0 265.787 3.230 20 10 CGCDRN COc1cccc(CN2C[C@H](C)Oc3ccccc32)c1O ZINC000765648189 627265337 /nfs/dbraw/zinc/26/53/37/627265337.db2.gz CVNDNNCFUTUBEL-LBPRGKRZSA-N 0 0 285.343 3.188 20 10 CGCDRN CSc1cc(C(=O)NCc2ccccc2O)ccc1F ZINC000767086977 627381265 /nfs/dbraw/zinc/38/12/65/627381265.db2.gz CMQKAIYTJZNVQO-UHFFFAOYSA-N 0 0 291.347 3.183 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)c1c[nH]c2ncccc12 ZINC000767199887 627389957 /nfs/dbraw/zinc/38/99/57/627389957.db2.gz ZCEAHIRVXQEWKJ-QMMMGPOBSA-N 0 0 289.385 3.383 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@H](C)OC[C@@H]2C)cc1F ZINC000768537101 627485117 /nfs/dbraw/zinc/48/51/17/627485117.db2.gz LRJSOAJWUXXPIF-KBPBESRZSA-N 0 0 294.414 3.281 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CC2CCC1CC2 ZINC000769180832 627529230 /nfs/dbraw/zinc/52/92/30/627529230.db2.gz UKXPWJFIVFNZCJ-PIMMBPRGSA-N 0 0 288.391 3.112 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\C1CC1 ZINC000769291930 627536243 /nfs/dbraw/zinc/53/62/43/627536243.db2.gz OAQLERMQKNZYQG-KTKRTIGZSA-N 0 0 259.349 3.097 20 10 CGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000769332250 627542291 /nfs/dbraw/zinc/54/22/91/627542291.db2.gz ZNVAFEOSLMQTHA-CYBMUJFWSA-N 0 0 251.757 3.420 20 10 CGCDRN CC(C)C[C@H]1COCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000769399890 627548986 /nfs/dbraw/zinc/54/89/86/627548986.db2.gz XDWWJKKFGLBXPA-HNNXBMFYSA-N 0 0 294.414 3.139 20 10 CGCDRN COc1cccc(CN(CC(F)F)CC2CCC2)c1O ZINC000770289828 627612071 /nfs/dbraw/zinc/61/20/71/627612071.db2.gz CVJBNCIDFPXLQA-UHFFFAOYSA-N 0 0 285.334 3.268 20 10 CGCDRN Cc1ccc(C(=O)NC2(C)CCC(C)CC2)c(O)c1O ZINC000770483241 627621977 /nfs/dbraw/zinc/62/19/77/627621977.db2.gz IYZBEQYMBKSEPD-UHFFFAOYSA-N 0 0 277.364 3.105 20 10 CGCDRN CCN(Cc1ncc(C)s1)c1ccc(OC)cc1 ZINC000772200988 627773151 /nfs/dbraw/zinc/77/31/51/627773151.db2.gz LYAGYMNKVXWXJB-UHFFFAOYSA-N 0 0 262.378 3.487 20 10 CGCDRN C[C@@H](Nc1ncccc1F)c1ccc(N(C)C)cc1 ZINC000772301449 627782912 /nfs/dbraw/zinc/78/29/12/627782912.db2.gz VIQHQEXUPAIBIR-LLVKDONJSA-N 0 0 259.328 3.460 20 10 CGCDRN C[C@H](Nc1ccnc2ccncc21)c1ccc(N(C)C)cc1 ZINC000772300686 627783147 /nfs/dbraw/zinc/78/31/47/627783147.db2.gz NMACPWBIINGACS-ZDUSSCGKSA-N 0 0 292.386 3.291 20 10 CGCDRN CC(C)[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc21 ZINC000772918259 627832303 /nfs/dbraw/zinc/83/23/03/627832303.db2.gz NQXYAFKZECWFOV-QWGSZXSUSA-N 0 0 295.386 3.220 20 10 CGCDRN C[C@H](NC(=O)[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000772996308 627838689 /nfs/dbraw/zinc/83/86/89/627838689.db2.gz CXBJCNFGXQRBLT-UWVGGRQHSA-N 0 0 288.313 3.128 20 10 CGCDRN Cc1cnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000773008529 627841371 /nfs/dbraw/zinc/84/13/71/627841371.db2.gz FSBWIWUYGGMPCN-CQSZACIVSA-N 0 0 297.402 3.255 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773018508 627843129 /nfs/dbraw/zinc/84/31/29/627843129.db2.gz MFYRMOFXMYINAU-GFCCVEGCSA-N 0 0 286.350 3.383 20 10 CGCDRN CS[C@@H](C)CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000773291812 627871902 /nfs/dbraw/zinc/87/19/02/627871902.db2.gz GEIBKADUHIBUQV-NSHDSACASA-N 0 0 298.427 3.040 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000773412509 627880994 /nfs/dbraw/zinc/88/09/94/627880994.db2.gz CNROIAXCYXACTM-QWHCGFSZSA-N 0 0 289.423 3.301 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C\c1cncc(F)c1 ZINC000773742197 627909596 /nfs/dbraw/zinc/90/95/96/627909596.db2.gz HSLNDLNWYUVIAJ-HYXAFXHYSA-N 0 0 282.318 3.132 20 10 CGCDRN C[C@H]([NH2+]CC1(O)CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774182734 627957896 /nfs/dbraw/zinc/95/78/96/627957896.db2.gz UHJMHWSWYULURG-QMMMGPOBSA-N 0 0 290.190 3.265 20 10 CGCDRN CCc1noc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000774483178 627997152 /nfs/dbraw/zinc/99/71/52/627997152.db2.gz NEKITTWIRNJVAE-VXGBXAGGSA-N 0 0 288.395 3.110 20 10 CGCDRN COc1c(O)c(CNc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774915138 628048967 /nfs/dbraw/zinc/04/89/67/628048967.db2.gz RMYHPUCPYFRRSP-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCC=CO1 ZINC000775056771 628058275 /nfs/dbraw/zinc/05/82/75/628058275.db2.gz MDPJWSTURVCTFW-HNNXBMFYSA-N 0 0 259.349 3.141 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCOC1 ZINC000775653517 628119727 /nfs/dbraw/zinc/11/97/27/628119727.db2.gz JYTRLXIVAPHZFM-SNVBAGLBSA-N 0 0 287.762 3.043 20 10 CGCDRN C[N@H+](CCOCC1CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775728373 628129351 /nfs/dbraw/zinc/12/93/51/628129351.db2.gz SMNSLMZMRGQDKF-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(N(C)C)c2C)c1 ZINC000775764991 628134441 /nfs/dbraw/zinc/13/44/41/628134441.db2.gz XKHNUTJQUQZYOX-UHFFFAOYSA-N 0 0 286.375 3.387 20 10 CGCDRN CC(C)c1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775836041 628141059 /nfs/dbraw/zinc/14/10/59/628141059.db2.gz XROBXFNNRLSXAO-LBPRGKRZSA-N 0 0 288.395 3.110 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccoc1 ZINC000776043289 628160990 /nfs/dbraw/zinc/16/09/90/628160990.db2.gz WNGGFOPHLXQHJZ-UHFFFAOYSA-N 0 0 255.676 3.068 20 10 CGCDRN C[C@@H](NC(=O)N1CCC1(C)C)c1ccc(N(C)C)cc1 ZINC000776237339 628183673 /nfs/dbraw/zinc/18/36/73/628183673.db2.gz GHBGXDVDEMDQEL-GFCCVEGCSA-N 0 0 275.396 3.008 20 10 CGCDRN CC(C)[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776238763 628183852 /nfs/dbraw/zinc/18/38/52/628183852.db2.gz OQQHHLRZNRLOFW-KBPBESRZSA-N 0 0 291.439 3.500 20 10 CGCDRN CC[C@H](C)n1nc(NC(=O)C2=CC(=O)CS2)cc1C ZINC000776248127 628183912 /nfs/dbraw/zinc/18/39/12/628183912.db2.gz KAEOEUAJMORLAX-QMMMGPOBSA-N 0 0 279.365 3.182 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000776314395 628192769 /nfs/dbraw/zinc/19/27/69/628192769.db2.gz PXMUXRWAMBMGPV-CJNGLKHVSA-N 0 0 286.419 3.121 20 10 CGCDRN C[C@H]1CC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000776476850 628212692 /nfs/dbraw/zinc/21/26/92/628212692.db2.gz PDSRCFPIVMUPLM-WDEREUQCSA-N 0 0 284.450 3.178 20 10 CGCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000776646547 628224400 /nfs/dbraw/zinc/22/44/00/628224400.db2.gz YLRXROZNNSFQRR-AAEUAGOBSA-N 0 0 277.364 3.187 20 10 CGCDRN COc1cccc(O)c1CNc1cnn([C@@H](C)C2CC2)c1 ZINC000778188882 628332497 /nfs/dbraw/zinc/33/24/97/628332497.db2.gz KABBLPPQUWPPLC-NSHDSACASA-N 0 0 287.363 3.180 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC000779500985 628416007 /nfs/dbraw/zinc/41/60/07/628416007.db2.gz QGYGKUBNFJEWEC-RMKNXTFCSA-N 0 0 297.354 3.391 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000780469291 628491630 /nfs/dbraw/zinc/49/16/30/628491630.db2.gz WAKKJSRKHHVSMN-SWLSCSKDSA-N 0 0 289.423 3.049 20 10 CGCDRN CC[C@H]1C[C@@H](CN(C)c2ccc(OC)c(F)c2)CCO1 ZINC000780779685 628516713 /nfs/dbraw/zinc/51/67/13/628516713.db2.gz UBNCHVVPESUPAC-JSGCOSHPSA-N 0 0 281.371 3.476 20 10 CGCDRN Cc1ccc(C(=O)Nc2cc3[nH]ccc3cc2C)c(O)c1O ZINC000781540426 628568873 /nfs/dbraw/zinc/56/88/73/628568873.db2.gz XSBFRFIUSBEXCE-UHFFFAOYSA-N 0 0 296.326 3.448 20 10 CGCDRN C[C@H](NC(=O)NC1CCCCCC1)c1ccccc1O ZINC000874985209 634667771 /nfs/dbraw/zinc/66/77/71/634667771.db2.gz OQDVBPPEVFNRCR-LBPRGKRZSA-N 0 0 276.380 3.475 20 10 CGCDRN CC[C@H]1CCCCCN1C(=O)Nc1ccc(N)cc1 ZINC000125275156 634673114 /nfs/dbraw/zinc/67/31/14/634673114.db2.gz SFTBNXJEZXTENO-AWEZNQCLSA-N 0 0 261.369 3.455 20 10 CGCDRN C[C@H](Nc1ccc2c(c1)ncn2C)c1ccccc1O ZINC000783533066 628722290 /nfs/dbraw/zinc/72/22/90/628722290.db2.gz ZEKOOJNBFPYUNY-NSHDSACASA-N 0 0 267.332 3.452 20 10 CGCDRN CC(C)CC(C)(C)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875356700 634693587 /nfs/dbraw/zinc/69/35/87/634693587.db2.gz YNCCVXDWWNUKCU-UHFFFAOYSA-N 0 0 290.407 3.490 20 10 CGCDRN CCOc1cccc(CN[C@@H](CC)C(F)(F)F)c1O ZINC000786835850 628966636 /nfs/dbraw/zinc/96/66/36/628966636.db2.gz JBZHZSZSLRNOGW-NSHDSACASA-N 0 0 277.286 3.221 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CC[C@@H]1CCCO1 ZINC000787274825 629006315 /nfs/dbraw/zinc/00/63/15/629006315.db2.gz KYDWAFMACQIZGR-HNNXBMFYSA-N 0 0 275.392 3.407 20 10 CGCDRN CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788604580 629068428 /nfs/dbraw/zinc/06/84/28/629068428.db2.gz UNQHKIFHGCVUCH-UWVGGRQHSA-N 0 0 291.313 3.223 20 10 CGCDRN CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788606311 629068995 /nfs/dbraw/zinc/06/89/95/629068995.db2.gz ZNQHUSONYDXMDO-UWVGGRQHSA-N 0 0 291.313 3.487 20 10 CGCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788757368 629079297 /nfs/dbraw/zinc/07/92/97/629079297.db2.gz LDNLDKZTKWTVFZ-IVZWLZJFSA-N 0 0 291.313 3.485 20 10 CGCDRN C[C@H](O)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788796286 629082660 /nfs/dbraw/zinc/08/26/60/629082660.db2.gz FBCOTCWYARCWBF-UWVGGRQHSA-N 0 0 291.313 3.223 20 10 CGCDRN Cc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])nc1 ZINC000789595554 629149551 /nfs/dbraw/zinc/14/95/51/629149551.db2.gz VKFDBWNKQYDVSC-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN CC[C@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1O ZINC000790896498 629240170 /nfs/dbraw/zinc/24/01/70/629240170.db2.gz HYAQOMYEKYUJPU-HNNXBMFYSA-N 0 0 297.354 3.247 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOc1ccccc1 ZINC000790948148 629242205 /nfs/dbraw/zinc/24/22/05/629242205.db2.gz YJZFJJWZUANNSL-UHFFFAOYSA-N 0 0 295.741 3.353 20 10 CGCDRN CCOC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790990604 629247610 /nfs/dbraw/zinc/24/76/10/629247610.db2.gz HFOGODQCHOYRPG-GFCCVEGCSA-N 0 0 289.778 3.335 20 10 CGCDRN CCN(Cc1nc(C)c(C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000862212127 629324270 /nfs/dbraw/zinc/32/42/70/629324270.db2.gz QFHCDBVUKSXTRX-UHFFFAOYSA-N 0 0 286.423 3.115 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000792169949 629343792 /nfs/dbraw/zinc/34/37/92/629343792.db2.gz NTECQAKNQLJWIB-SNVBAGLBSA-N 0 0 269.747 3.417 20 10 CGCDRN COc1ccc(N(Cc2ncccn2)CC(C)C)cc1 ZINC000792248427 629352212 /nfs/dbraw/zinc/35/22/12/629352212.db2.gz WESYMBIFAZZMPJ-UHFFFAOYSA-N 0 0 271.364 3.148 20 10 CGCDRN Cc1cc(C(=O)N2[C@H](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000792527295 629363038 /nfs/dbraw/zinc/36/30/38/629363038.db2.gz CSEPSJFQCMOYDI-TXEJJXNPSA-N 0 0 283.375 3.112 20 10 CGCDRN CSc1ccccc1CN(C)C(=O)C1=CC(=O)CS1 ZINC000792671554 629373557 /nfs/dbraw/zinc/37/35/57/629373557.db2.gz UTDFSAUEHJQRFV-UHFFFAOYSA-N 0 0 293.413 3.448 20 10 CGCDRN Cc1cc(C(=O)NCC2CC=CC2)c(C)n1-c1ccccn1 ZINC000862628145 629418452 /nfs/dbraw/zinc/41/84/52/629418452.db2.gz WMJSLCGSYKEFOR-UHFFFAOYSA-N 0 0 295.386 3.185 20 10 CGCDRN O=C(N[C@H](c1ccccn1)C1CCC1)C1=CC(=O)CS1 ZINC000862745836 629428287 /nfs/dbraw/zinc/42/82/87/629428287.db2.gz HOLJINYVXSZFJL-AWEZNQCLSA-N 0 0 288.372 3.120 20 10 CGCDRN CCCC[C@@](C)(F)C(=O)NCc1cc(C)ccc1O ZINC000862753507 629428753 /nfs/dbraw/zinc/42/87/53/629428753.db2.gz DXLAUWSXCLHZLX-OAHLLOKOSA-N 0 0 267.344 3.235 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)c1 ZINC000862755718 629430050 /nfs/dbraw/zinc/43/00/50/629430050.db2.gz WWSSPRYCDRMWMN-CABCVRRESA-N 0 0 273.376 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000862758527 629430647 /nfs/dbraw/zinc/43/06/47/629430647.db2.gz ARIWLMZAWRDGLY-YPMHNXCESA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(C(=O)N2CCC(C)(C3CC3)CC2)c(O)c1O ZINC000793468952 629470049 /nfs/dbraw/zinc/47/00/49/629470049.db2.gz PKJPSVSGNXGBAF-UHFFFAOYSA-N 0 0 289.375 3.059 20 10 CGCDRN C/C=C/CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000875874969 634743265 /nfs/dbraw/zinc/74/32/65/634743265.db2.gz CSPLWYOLOFPXTD-SNAWJCMRSA-N 0 0 287.407 3.003 20 10 CGCDRN COC(=O)[C@H](Cc1ccc(C)cc1)Sc1nccs1 ZINC000794428712 629542491 /nfs/dbraw/zinc/54/24/91/629542491.db2.gz WTXQZGDVSSNVOH-LBPRGKRZSA-N 0 0 293.413 3.328 20 10 CGCDRN COc1ccc(CNc2c(C)cccc2[N+](=O)[O-])c(O)c1 ZINC000795283614 629656393 /nfs/dbraw/zinc/65/63/93/629656393.db2.gz DOSXNIINCDBEGD-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN COC(=O)c1ccc(NCc2cc(C)ccc2O)cc1F ZINC000864009085 629725787 /nfs/dbraw/zinc/72/57/87/629725787.db2.gz SJBMEUVDKYONBT-UHFFFAOYSA-N 0 0 289.306 3.238 20 10 CGCDRN COc1ccc(N(Cc2ccnc(C)n2)CC(C)C)cc1 ZINC000796447277 629782261 /nfs/dbraw/zinc/78/22/61/629782261.db2.gz KOLYOXSHGBIMNR-UHFFFAOYSA-N 0 0 285.391 3.456 20 10 CGCDRN COc1ccc(N(CCC(C)C)CC(=O)NC(C)C)cc1 ZINC000796502911 629790960 /nfs/dbraw/zinc/79/09/60/629790960.db2.gz GFNYCMHWSWDLBJ-UHFFFAOYSA-N 0 0 292.423 3.072 20 10 CGCDRN CC[C@H]([NH2+]CCOc1cccnc1)c1ccc(F)cc1[O-] ZINC000796758501 629826949 /nfs/dbraw/zinc/82/69/49/629826949.db2.gz CQXGFYPFDXHXEY-HNNXBMFYSA-N 0 0 290.338 3.046 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000796785834 629833436 /nfs/dbraw/zinc/83/34/36/629833436.db2.gz ZLEWJDGMAYUFII-DOMZBBRYSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1ccc(F)cc1[O-] ZINC000796856703 629849438 /nfs/dbraw/zinc/84/94/38/629849438.db2.gz WSLFGFFDMAMPND-DIOULYMOSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]1CC=C(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000836531044 634774730 /nfs/dbraw/zinc/77/47/30/634774730.db2.gz AMEWTORQEYZNDJ-GFCCVEGCSA-N 0 0 290.382 3.254 20 10 CGCDRN CCc1ccnc(CNC(=S)Nc2ccc(C)cc2)c1 ZINC000797792383 629983852 /nfs/dbraw/zinc/98/38/52/629983852.db2.gz CBSLZAMSGVINFY-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000797905865 630000719 /nfs/dbraw/zinc/00/07/19/630000719.db2.gz RDFPXZDGXCRKKG-AAEUAGOBSA-N 0 0 296.208 3.433 20 10 CGCDRN Cc1cc(C(=O)NCCF)c(C)n1-c1ccc(Cl)cc1 ZINC000798060737 630018774 /nfs/dbraw/zinc/01/87/74/630018774.db2.gz KKCFMBDKOQVNOZ-UHFFFAOYSA-N 0 0 294.757 3.447 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc([C@@H]2C[C@@H]2C)o1 ZINC000865294216 630056993 /nfs/dbraw/zinc/05/69/93/630056993.db2.gz JEJDGFZQEXCTOX-SMDDNHRTSA-N 0 0 286.379 3.180 20 10 CGCDRN COC(=O)c1cnc(SCOC2CCCCC2)s1 ZINC000865369450 630079900 /nfs/dbraw/zinc/07/99/00/630079900.db2.gz WPWFPNGTBPWHHK-UHFFFAOYSA-N 0 0 287.406 3.329 20 10 CGCDRN C[C@@H](CC(C)(C)C)NC(=O)NCc1ccccc1O ZINC000836684211 634789916 /nfs/dbraw/zinc/78/99/16/634789916.db2.gz DJZRBNDZMPRCOK-NSHDSACASA-N 0 0 264.369 3.016 20 10 CGCDRN C[C@@H](O)c1ccc(NCCCSc2nccs2)nc1 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/nfs/dbraw/zinc/03/91/05/634039105.db2.gz WPWXUYQALHGESY-MNOVXSKESA-N 0 0 297.782 3.040 20 10 CGCDRN O=C(NC[C@@H]1CCCCC(F)(F)C1)C1=CC(=O)CS1 ZINC000832427081 634059015 /nfs/dbraw/zinc/05/90/15/634059015.db2.gz PZKHVUOVNLCFTD-SECBINFHSA-N 0 0 289.347 3.399 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000872171797 634076077 /nfs/dbraw/zinc/07/60/77/634076077.db2.gz XNDKBULJCDICNN-GJQVQUKXSA-N 0 0 269.348 3.002 20 10 CGCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@@H]1c1ccncc1 ZINC000832831245 634102670 /nfs/dbraw/zinc/10/26/70/634102670.db2.gz SXFAOSPAXNYXBN-CYBMUJFWSA-N 0 0 288.372 3.072 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC(CF)CF ZINC000833434279 634120878 /nfs/dbraw/zinc/12/08/78/634120878.db2.gz QCOHFHUGXSAZMR-UHFFFAOYSA-N 0 0 298.358 3.193 20 10 CGCDRN Oc1cccc2c1[C@H](N[C@@H](C1CC1)C(F)(F)F)CC2 ZINC000834802945 634244511 /nfs/dbraw/zinc/24/45/11/634244511.db2.gz GZMOZNTVNAAOIW-MFKMUULPSA-N 0 0 271.282 3.310 20 10 CGCDRN CCC[C@@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])OC ZINC000834839947 634253724 /nfs/dbraw/zinc/25/37/24/634253724.db2.gz GCVIKEOTEHCEEB-GXTWGEPZSA-N 0 0 269.360 3.387 20 10 CGCDRN CC[C@@H]([NH2+]CCC1(CO)CC1)c1cccc(Cl)c1[O-] ZINC000834896647 634273439 /nfs/dbraw/zinc/27/34/39/634273439.db2.gz MJCXVGKAQSTASQ-CYBMUJFWSA-N 0 0 283.799 3.249 20 10 CGCDRN CCc1nc(CN[C@@H](C)c2ccc(C)cc2O)co1 ZINC000834897473 634274004 /nfs/dbraw/zinc/27/40/04/634274004.db2.gz GTWBYASJIPPKQR-NSHDSACASA-N 0 0 260.337 3.102 20 10 CGCDRN C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000834905942 634282355 /nfs/dbraw/zinc/28/23/55/634282355.db2.gz VJQHTASHMDJJAZ-WDEREUQCSA-N 0 0 285.334 3.138 20 10 CGCDRN Nc1ccc(NC(=O)NCCC[C@@H]2C=CCC2)cc1 ZINC000873328297 634329466 /nfs/dbraw/zinc/32/94/66/634329466.db2.gz QHMSFZCFAQWNAC-GFCCVEGCSA-N 0 0 259.353 3.137 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCS1 ZINC000876747579 634891452 /nfs/dbraw/zinc/89/14/52/634891452.db2.gz HGJHWZQVMAIDRD-ZDUSSCGKSA-N 0 0 251.395 3.028 20 10 CGCDRN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCC1 ZINC000837480808 634917951 /nfs/dbraw/zinc/91/79/51/634917951.db2.gz LLDHCYIXUPCDCF-LBPRGKRZSA-N 0 0 287.403 3.323 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCCC1 ZINC000876888563 634920988 /nfs/dbraw/zinc/92/09/88/634920988.db2.gz DQIPGUVMAHNOKZ-UHFFFAOYSA-N 0 0 298.377 3.025 20 10 CGCDRN O=C(OC[C@@H]1CCC(F)(F)C1)C1=CC(=O)CS1 ZINC000837514250 634923004 /nfs/dbraw/zinc/92/30/04/634923004.db2.gz MHIVDUFZFFIHNJ-SSDOTTSWSA-N 0 0 262.277 3.046 20 10 CGCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCC[C@H]1C ZINC000876931667 634930481 /nfs/dbraw/zinc/93/04/81/634930481.db2.gz RHLONCYIMIQWMX-NEPJUHHUSA-N 0 0 298.377 3.023 20 10 CGCDRN Cc1cccc(CO[C@@H](C)C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877074509 634972516 /nfs/dbraw/zinc/97/25/16/634972516.db2.gz MSQVTCGPHVUFBR-AWEZNQCLSA-N 0 0 298.386 3.145 20 10 CGCDRN CN(C(=O)c1cccc(N2CCCC2)c1)c1ccc(N)cc1 ZINC000877074691 634972858 /nfs/dbraw/zinc/97/28/58/634972858.db2.gz PQSPYOCMIXQYKP-UHFFFAOYSA-N 0 0 295.386 3.146 20 10 CGCDRN CN(C(=O)c1ccc(C(C)(C)C)cn1)c1ccc(N)cc1 ZINC000877076058 634973276 /nfs/dbraw/zinc/97/32/76/634973276.db2.gz LRRWXWKMLQMOLF-UHFFFAOYSA-N 0 0 283.375 3.238 20 10 CGCDRN CC[C@@H](C)n1ncc(C(=O)N(C)c2ccc(N)cc2)c1C ZINC000877075251 634973346 /nfs/dbraw/zinc/97/33/46/634973346.db2.gz BFZUZHRRHCUHIJ-LLVKDONJSA-N 0 0 286.379 3.021 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NC2(CC)CC2)cc1 ZINC000837724369 634973789 /nfs/dbraw/zinc/97/37/89/634973789.db2.gz FKTULUXNLYSRAP-UHFFFAOYSA-N 0 0 289.423 3.275 20 10 CGCDRN CN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(N)cc1 ZINC000877077298 634974299 /nfs/dbraw/zinc/97/42/99/634974299.db2.gz BTJYRLJOMAEBKG-UHFFFAOYSA-N 0 0 289.404 3.299 20 10 CGCDRN C[C@H](CCOc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877077547 634975098 /nfs/dbraw/zinc/97/50/98/634975098.db2.gz MNBNUYHREHDCRP-CQSZACIVSA-N 0 0 298.386 3.337 20 10 CGCDRN CCCN(C)c1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877077835 634975554 /nfs/dbraw/zinc/97/55/54/634975554.db2.gz WMTAJFOSFMEHNP-UHFFFAOYSA-N 0 0 297.402 3.392 20 10 CGCDRN CCOc1ccccc1CCC(=O)N(C)c1ccc(N)cc1 ZINC000877080089 634977003 /nfs/dbraw/zinc/97/70/03/634977003.db2.gz GJMZMJWKCOWTGT-UHFFFAOYSA-N 0 0 298.386 3.263 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(NC(=O)C2CC2)nc1 ZINC000877164073 635004200 /nfs/dbraw/zinc/00/42/00/635004200.db2.gz MVGYXPIISMSQHR-UHFFFAOYSA-N 0 0 297.358 3.056 20 10 CGCDRN Cc1ccc(CNc2ccc(NC(=O)C3CC3)nc2)c(O)c1 ZINC000877164815 635004693 /nfs/dbraw/zinc/00/46/93/635004693.db2.gz WEVPPEYIJVJMOE-UHFFFAOYSA-N 0 0 297.358 3.056 20 10 CGCDRN CCc1cccc(NC(=S)NCc2cc(C)ccn2)c1 ZINC000840757908 635048052 /nfs/dbraw/zinc/04/80/52/635048052.db2.gz MSSHCZPSORJCKU-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2c2cccnc2)ccc(F)c1F ZINC000877524386 635071439 /nfs/dbraw/zinc/07/14/39/635071439.db2.gz WJJUFZNRWAAWDQ-AWEZNQCLSA-N 0 0 290.313 3.403 20 10 CGCDRN Cc1cncc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840880357 635071842 /nfs/dbraw/zinc/07/18/42/635071842.db2.gz WANHUNDUJDGLIV-UHFFFAOYSA-N 0 0 255.365 3.377 20 10 CGCDRN Cc1ccc([C@H](C)N[C@@H](C)c2csnn2)c(O)c1C ZINC000840886543 635075819 /nfs/dbraw/zinc/07/58/19/635075819.db2.gz ZBSXCTWSDPEKSS-QWRGUYRKSA-N 0 0 277.393 3.272 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(F)cc1[O-] ZINC000840895235 635077936 /nfs/dbraw/zinc/07/79/36/635077936.db2.gz ZGUIQMNIYBTAKB-LNSITVRQSA-N 0 0 281.371 3.123 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)ccc(F)c1F ZINC000877538738 635078285 /nfs/dbraw/zinc/07/82/85/635078285.db2.gz DDMMWINXSBBZTI-HNNXBMFYSA-N 0 0 279.330 3.435 20 10 CGCDRN Cc1cc(O)c(CN2CCCc3n[nH]cc32)c(Cl)c1 ZINC000840940583 635086840 /nfs/dbraw/zinc/08/68/40/635086840.db2.gz HATNJEFDPCFOMY-UHFFFAOYSA-N 0 0 277.755 3.030 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CS1 ZINC000840958809 635094302 /nfs/dbraw/zinc/09/43/02/635094302.db2.gz OFOQJRWXSYHJOB-IONNQARKSA-N 0 0 275.776 3.168 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CS1 ZINC000840959826 635094384 /nfs/dbraw/zinc/09/43/84/635094384.db2.gz ZQRTZQJBBPWNQC-HTQZYQBOSA-N 0 0 275.776 3.168 20 10 CGCDRN C[C@@H]1CC2(C[N@@H+]1Cc1ccc(F)c(F)c1[O-])CCOCC2 ZINC000877608049 635109844 /nfs/dbraw/zinc/10/98/44/635109844.db2.gz PLLGEVUACBAULM-LLVKDONJSA-N 0 0 297.345 3.061 20 10 CGCDRN CC(C)(C)[C@H](CN)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841088117 635120048 /nfs/dbraw/zinc/12/00/48/635120048.db2.gz XWPMCAJVRUTMAU-NSHDSACASA-N 0 0 291.222 3.162 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000877662369 635136849 /nfs/dbraw/zinc/13/68/49/635136849.db2.gz QATBVVFEDUABQV-SECBINFHSA-N 0 0 289.803 3.418 20 10 CGCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 ZINC000121517643 635221529 /nfs/dbraw/zinc/22/15/29/635221529.db2.gz UVJHECKMCGKMIO-CSKARUKUSA-N 0 0 272.735 3.411 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841748807 635223730 /nfs/dbraw/zinc/22/37/30/635223730.db2.gz ZCWWRUXHKZTLBY-QWRGUYRKSA-N 0 0 282.815 3.179 20 10 CGCDRN COCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746791 635223944 /nfs/dbraw/zinc/22/39/44/635223944.db2.gz LGVSODUFQCQZOZ-UWVGGRQHSA-N 0 0 257.761 3.121 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841748808 635225930 /nfs/dbraw/zinc/22/59/30/635225930.db2.gz ZCWWRUXHKZTLBY-WDEREUQCSA-N 0 0 282.815 3.179 20 10 CGCDRN C[C@@H](NC1(C(F)F)CC1)c1ccc(Cl)cc1O ZINC000841753861 635226827 /nfs/dbraw/zinc/22/68/27/635226827.db2.gz XPJOGXPMOBLWNH-SSDOTTSWSA-N 0 0 261.699 3.494 20 10 CGCDRN C[C@@H](N[C@H](C)c1ccc(Cl)cc1O)c1csnn1 ZINC000841754757 635228524 /nfs/dbraw/zinc/22/85/24/635228524.db2.gz DCRHEDIWQYSQDF-HTQZYQBOSA-N 0 0 283.784 3.309 20 10 CGCDRN CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000841756307 635229895 /nfs/dbraw/zinc/22/98/95/635229895.db2.gz TYQSEUOOQNTJET-DGCLKSJQSA-N 0 0 296.367 3.012 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC(C)(C)CC(F)F)cc1 ZINC000877978325 635302778 /nfs/dbraw/zinc/30/27/78/635302778.db2.gz KSFLKWZQWCIPON-UHFFFAOYSA-N 0 0 298.377 3.440 20 10 CGCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CC1(C)C ZINC000842192112 635310347 /nfs/dbraw/zinc/31/03/47/635310347.db2.gz VSMNFWSPVJCHRM-UONOGXRCSA-N 0 0 290.407 3.358 20 10 CGCDRN CC[C@H](Nc1ccc2c(c1)nnn2C)c1ccccc1O ZINC000842901328 635510994 /nfs/dbraw/zinc/51/09/94/635510994.db2.gz MBVNAQPSYREEEX-ZDUSSCGKSA-N 0 0 282.347 3.237 20 10 CGCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000842919851 635511916 /nfs/dbraw/zinc/51/19/16/635511916.db2.gz ZEQQAUOKDZQRAY-LNSITVRQSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H](N[C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000842925075 635513524 /nfs/dbraw/zinc/51/35/24/635513524.db2.gz DZTYMEHVZRMNMG-QWHCGFSZSA-N 0 0 291.391 3.089 20 10 CGCDRN COc1ccc(N(C)Cc2cccc3c2NCC3)cc1OC ZINC000843069599 635557228 /nfs/dbraw/zinc/55/72/28/635557228.db2.gz RYSFKDDLIBWYGM-UHFFFAOYSA-N 0 0 298.386 3.308 20 10 CGCDRN Cc1ccc(N(CC2CC2)C(=O)c2cccc(O)c2O)cc1 ZINC000923677218 635575797 /nfs/dbraw/zinc/57/57/97/635575797.db2.gz GFJNPOUSFDQUFF-UHFFFAOYSA-N 0 0 297.354 3.463 20 10 CGCDRN Cc1ccc([C@H](C)c2nc(Cc3ccc(N)cc3)no2)o1 ZINC000843158990 635588882 /nfs/dbraw/zinc/58/88/82/635588882.db2.gz JXPCFEXYYFWIBR-NSHDSACASA-N 0 0 283.331 3.296 20 10 CGCDRN CC(C)c1cc(-c2nc(Cc3ccc(N)cc3)no2)on1 ZINC000843158995 635589064 /nfs/dbraw/zinc/58/90/64/635589064.db2.gz KGCVSCCGTCBGBZ-UHFFFAOYSA-N 0 0 284.319 3.021 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000843343565 635651317 /nfs/dbraw/zinc/65/13/17/635651317.db2.gz ZIYGAEQWKRJENS-IRXDYDNUSA-N 0 0 286.419 3.144 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419643 635665241 /nfs/dbraw/zinc/66/52/41/635665241.db2.gz NEBXIMJOTVWMSC-CYBMUJFWSA-N 0 0 288.778 3.430 20 10 CGCDRN CCCC[C@@](C)(CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843425978 635669578 /nfs/dbraw/zinc/66/95/78/635669578.db2.gz LWFFOKQDBWJMHH-AWEZNQCLSA-N 0 0 271.788 3.076 20 10 CGCDRN Nc1ccc(CC(=O)NC2(c3cccc(F)c3)CCC2)cc1 ZINC000843507512 635682919 /nfs/dbraw/zinc/68/29/19/635682919.db2.gz JPFJXXMTHWXWPR-UHFFFAOYSA-N 0 0 298.361 3.146 20 10 CGCDRN C[C@@H](NC(=O)c1c[nH]cc1C1CC1)c1ccc(N(C)C)cc1 ZINC000879538758 635807141 /nfs/dbraw/zinc/80/71/41/635807141.db2.gz IDPWECDVYPFGOO-GFCCVEGCSA-N 0 0 297.402 3.449 20 10 CGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000844353444 635877322 /nfs/dbraw/zinc/87/73/22/635877322.db2.gz NWLXLENTNHOFQX-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844907126 635980919 /nfs/dbraw/zinc/98/09/19/635980919.db2.gz HOJMOLRNDBNQAY-CYBMUJFWSA-N 0 0 288.778 3.172 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3C[C@@H]4C=C[C@H]3CC4)n2)cc1 ZINC000844905769 635981068 /nfs/dbraw/zinc/98/10/68/635981068.db2.gz GEBZXTALDCZLJH-OSAQELSMSA-N 0 0 281.359 3.312 20 10 CGCDRN COCc1ccnc(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000846116985 636147008 /nfs/dbraw/zinc/14/70/08/636147008.db2.gz JAZCXLVBTGRDCD-LLVKDONJSA-N 0 0 288.347 3.115 20 10 CGCDRN C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000846205909 636158533 /nfs/dbraw/zinc/15/85/33/636158533.db2.gz UDNIMGYBNKXOEC-UWVGGRQHSA-N 0 0 285.334 3.136 20 10 CGCDRN CC(C)c1cc(C(=O)NCc2cc(Cl)ccc2O)no1 ZINC000846472603 636187159 /nfs/dbraw/zinc/18/71/59/636187159.db2.gz BLCRFPOQLYYWIS-UHFFFAOYSA-N 0 0 294.738 3.087 20 10 CGCDRN CCO[C@H](CC(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000846475014 636188255 /nfs/dbraw/zinc/18/82/55/636188255.db2.gz DEIHSUMEXQCTNQ-CQSZACIVSA-N 0 0 299.798 3.113 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000846477507 636189196 /nfs/dbraw/zinc/18/91/96/636189196.db2.gz RLFPEIVKGZBGHE-ZIAGYGMSSA-N 0 0 293.794 3.488 20 10 CGCDRN Cc1cncnc1NCc1ccc(N2CCCCC2)cc1 ZINC000881856481 636207462 /nfs/dbraw/zinc/20/74/62/636207462.db2.gz NEZVLVZAESZJEL-UHFFFAOYSA-N 0 0 282.391 3.387 20 10 CGCDRN COC(=O)c1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000882203075 636290683 /nfs/dbraw/zinc/29/06/83/636290683.db2.gz NFIXXKQSOVREKB-LBPRGKRZSA-N 0 0 299.374 3.107 20 10 CGCDRN CN(CCC(C)(C)O)c1ccc(-c2nccs2)cc1 ZINC000846997847 636305168 /nfs/dbraw/zinc/30/51/68/636305168.db2.gz ZOIVKGXTIWOEIC-UHFFFAOYSA-N 0 0 276.405 3.407 20 10 CGCDRN CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CC=CC1 ZINC000847288189 636375632 /nfs/dbraw/zinc/37/56/32/636375632.db2.gz WMVOYIYTLWAGTE-UHFFFAOYSA-N 0 0 299.418 3.195 20 10 CGCDRN C/C(=C\c1ccco1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847304573 636378111 /nfs/dbraw/zinc/37/81/11/636378111.db2.gz VTUKNWYWOYCNNR-WYMLVPIESA-N 0 0 298.386 3.408 20 10 CGCDRN Oc1cc2c(cc1CN1CCCc3ccccc31)OCO2 ZINC000213539237 636469822 /nfs/dbraw/zinc/46/98/22/636469822.db2.gz JGRBDBASEGNJNN-UHFFFAOYSA-N 0 0 283.327 3.074 20 10 CGCDRN CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000882994286 636496621 /nfs/dbraw/zinc/49/66/21/636496621.db2.gz YYPHQUUHTYMIFR-SNVBAGLBSA-N 0 0 295.333 3.299 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000883079391 636531690 /nfs/dbraw/zinc/53/16/90/636531690.db2.gz RXXPSHXOQLYATJ-HNNXBMFYSA-N 0 0 299.361 3.091 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCC(C)(C)C)c1 ZINC000131088962 636554418 /nfs/dbraw/zinc/55/44/18/636554418.db2.gz IZOYANVUYGBYIK-LLVKDONJSA-N 0 0 279.380 3.404 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848927839 636699908 /nfs/dbraw/zinc/69/99/08/636699908.db2.gz OYMRJKVDKQYNLU-HUUCEWRRSA-N 0 0 294.826 3.152 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC2(CCCCC2)O1 ZINC000848928818 636700803 /nfs/dbraw/zinc/70/08/03/636700803.db2.gz OIRLMOJBKXJBOQ-ZDUSSCGKSA-N 0 0 293.382 3.455 20 10 CGCDRN COc1ccc(O)c(CNc2c(F)cccc2[N+](=O)[O-])c1 ZINC000132508228 636813491 /nfs/dbraw/zinc/81/34/91/636813491.db2.gz CIFPZDQYOKYXJW-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN Nc1ccc(CCNC(=O)CCCCc2ccccc2)cc1 ZINC000884028300 636917445 /nfs/dbraw/zinc/91/74/45/636917445.db2.gz CHXFSMDWMKSFCY-UHFFFAOYSA-N 0 0 296.414 3.341 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1F ZINC000109019795 636919484 /nfs/dbraw/zinc/91/94/84/636919484.db2.gz QNJAHYIBJFKGDK-LBPRGKRZSA-N 0 0 287.334 3.293 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(Cl)ccc1F ZINC000133768099 636976271 /nfs/dbraw/zinc/97/62/71/636976271.db2.gz UJQOTPZTBLHUAS-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccccc1C(F)(F)F ZINC000133791231 636976702 /nfs/dbraw/zinc/97/67/02/636976702.db2.gz ACTUCXVGZCUKMR-UHFFFAOYSA-N 0 0 295.260 3.341 20 10 CGCDRN Oc1cccc(Cl)c1CNc1ccn(CC(F)F)n1 ZINC000133847748 636982652 /nfs/dbraw/zinc/98/26/52/636982652.db2.gz OSQOSZKLWINGOG-UHFFFAOYSA-N 0 0 287.697 3.119 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc(Cl)c1[O-] ZINC000850490228 637088735 /nfs/dbraw/zinc/08/87/35/637088735.db2.gz XROPMBBXCDHDMU-UONOGXRCSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc(Cl)c1[O-] ZINC000850490229 637089194 /nfs/dbraw/zinc/08/91/94/637089194.db2.gz XROPMBBXCDHDMU-ZIAGYGMSSA-N 0 0 283.799 3.247 20 10 CGCDRN Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850506262 637093807 /nfs/dbraw/zinc/09/38/07/637093807.db2.gz HTANVNAJZVHYEO-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000850524143 637103235 /nfs/dbraw/zinc/10/32/35/637103235.db2.gz FJYZNCJBWZUIIY-GXSJLCMTSA-N 0 0 283.318 3.033 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000850523861 637103375 /nfs/dbraw/zinc/10/33/75/637103375.db2.gz QGSBKKONCOLCDB-GXTWGEPZSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccoc1)c1cc(F)cc(F)c1[O-] ZINC000850532171 637109263 /nfs/dbraw/zinc/10/92/63/637109263.db2.gz QWBQOYDGSDLRCR-SECBINFHSA-N 0 0 267.275 3.157 20 10 CGCDRN Nc1ccc(CCNC(=O)c2ccc(C3CC3)cc2)cc1 ZINC000851632195 637461406 /nfs/dbraw/zinc/46/14/06/637461406.db2.gz NIWLXTZWDLLYJG-UHFFFAOYSA-N 0 0 280.371 3.119 20 10 CGCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000851664645 637466180 /nfs/dbraw/zinc/46/61/80/637466180.db2.gz HSLGELQAWAUDPI-ZIAGYGMSSA-N 0 0 289.423 3.031 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccsc1)c1c([O-])cccc1F ZINC000886496770 637542497 /nfs/dbraw/zinc/54/24/97/637542497.db2.gz HBKLVTMIZHAXIZ-SNVBAGLBSA-N 0 0 265.353 3.486 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2c([O-])cccc2F)o1 ZINC000886502832 637543388 /nfs/dbraw/zinc/54/33/88/637543388.db2.gz QBKXSPIUVAILKR-LLVKDONJSA-N 0 0 263.312 3.326 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1c([O-])cccc1F ZINC000886509082 637544806 /nfs/dbraw/zinc/54/48/06/637544806.db2.gz ZTMUCPGOMCLWJE-QWHCGFSZSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1nc(C)c(CC[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886524019 637551675 /nfs/dbraw/zinc/55/16/75/637551675.db2.gz ATLIULDYQGVWEK-SNVBAGLBSA-N 0 0 294.395 3.498 20 10 CGCDRN C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886534520 637559374 /nfs/dbraw/zinc/55/93/74/637559374.db2.gz KAQJQUOFGALSDK-NSHDSACASA-N 0 0 297.370 3.304 20 10 CGCDRN COCCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886540420 637566052 /nfs/dbraw/zinc/56/60/52/637566052.db2.gz DVELNUNLKITZTJ-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1c([O-])cccc1F ZINC000886602980 637600619 /nfs/dbraw/zinc/60/06/19/637600619.db2.gz DQKYRTQMPOIJLN-GFCCVEGCSA-N 0 0 293.382 3.125 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1c([O-])cccc1F ZINC000886627003 637616838 /nfs/dbraw/zinc/61/68/38/637616838.db2.gz QISHBCTWANREKD-CKYFFXLPSA-N 0 0 255.308 3.463 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1c([O-])cccc1F ZINC000886635020 637621883 /nfs/dbraw/zinc/62/18/83/637621883.db2.gz STHXXQNVDDRUSP-NWDGAFQWSA-N 0 0 280.387 3.055 20 10 CGCDRN CC[C@@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000852490925 637662167 /nfs/dbraw/zinc/66/21/67/637662167.db2.gz QQEXOYLIVVLVMY-NEPJUHHUSA-N 0 0 294.395 3.197 20 10 CGCDRN FC1(F)C[C@H]1OCCOc1ccc(N2CCCC2)cc1 ZINC000853675735 637889527 /nfs/dbraw/zinc/88/95/27/637889527.db2.gz YITJXYYCCJGRQB-CQSZACIVSA-N 0 0 283.318 3.090 20 10 CGCDRN C[C@H](NC(=O)N[C@@]1(C)CC1(C)C)c1ccc(N(C)C)cc1 ZINC000854003235 637970081 /nfs/dbraw/zinc/97/00/81/637970081.db2.gz GKUZIZKWFNGOTI-SJCJKPOMSA-N 0 0 289.423 3.301 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(N)c1)c1ccc(F)cc1[O-] ZINC000854215316 638025262 /nfs/dbraw/zinc/02/52/62/638025262.db2.gz FTCAXODXGYWOQE-HNNXBMFYSA-N 0 0 274.339 3.354 20 10 CGCDRN C[C@H]1CC(CNC(=O)Nc2ccc(N)cc2)C[C@H](C)C1 ZINC000829130444 638214957 /nfs/dbraw/zinc/21/49/57/638214957.db2.gz CGIXGMZWXWCJQP-VXGBXAGGSA-N 0 0 275.396 3.463 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C[C@H]3C=CCCC3)ccc21 ZINC000187276820 638298376 /nfs/dbraw/zinc/29/83/76/638298376.db2.gz UZBZKEBZLDUSFL-HNNXBMFYSA-N 0 0 298.430 3.432 20 10 CGCDRN C[C@H](NC(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000924404707 638340804 /nfs/dbraw/zinc/34/08/04/638340804.db2.gz HVWLTEMDMDVQRZ-RMRHIDDWSA-N 0 0 288.391 3.189 20 10 CGCDRN Cc1cc(C(=O)NC2CC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000856338091 638344379 /nfs/dbraw/zinc/34/43/79/638344379.db2.gz PMUQJEOQQWVUQR-UHFFFAOYSA-N 0 0 297.402 3.408 20 10 CGCDRN Cc1ccccc1CC(=O)NCc1cc(Cl)ccc1O ZINC000857547544 638516534 /nfs/dbraw/zinc/51/65/34/638516534.db2.gz JIYCRLAVDXMLCZ-UHFFFAOYSA-N 0 0 289.762 3.213 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H]1C ZINC000115678341 638576034 /nfs/dbraw/zinc/57/60/34/638576034.db2.gz DMBDYADSAAMWAU-WBMJQRKESA-N 0 0 289.423 3.049 20 10 CGCDRN COc1cc(N[C@@H](C)c2ccc(F)cc2O)cnc1OC ZINC000858481277 638735233 /nfs/dbraw/zinc/73/52/33/638735233.db2.gz GOBPJRQMLGCOAX-VIFPVBQESA-N 0 0 292.310 3.117 20 10 CGCDRN CC[C@@H](Nc1cnn(CCF)c1)c1ccc(N(C)C)cc1 ZINC000858491253 638740566 /nfs/dbraw/zinc/74/05/66/638740566.db2.gz BMLACLWCFVIGGP-MRXNPFEDSA-N 0 0 290.386 3.482 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(CCF)c2)c1 ZINC000858491804 638742800 /nfs/dbraw/zinc/74/28/00/638742800.db2.gz OFILYVKAEKAFEH-LLVKDONJSA-N 0 0 263.316 3.040 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000858546789 638758453 /nfs/dbraw/zinc/75/84/53/638758453.db2.gz FMRDKCJYWKIISH-DUVNUKRYSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1c([O-])cccc1F ZINC000927028286 638833673 /nfs/dbraw/zinc/83/36/73/638833673.db2.gz MCJLBFIEVQBEHB-MXWKQRLJSA-N 0 0 269.385 3.466 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000927032768 638833933 /nfs/dbraw/zinc/83/39/33/638833933.db2.gz PIOQBIQRXSEHGK-FOGDFJRCSA-N 0 0 269.385 3.466 20 10 CGCDRN C[C@@H](COCC1CCCCC1)NC(=O)C1=CC(=O)CS1 ZINC000928704397 638888953 /nfs/dbraw/zinc/88/89/53/638888953.db2.gz MGIGGQOYFFJCQW-NSHDSACASA-N 0 0 297.420 3.169 20 10 CGCDRN C[C@@]1(C(=O)NCc2c(O)cccc2F)CCc2ccccc21 ZINC000928705916 638889441 /nfs/dbraw/zinc/88/94/41/638889441.db2.gz MORZBZJNTJCYAI-GOSISDBHSA-N 0 0 299.345 3.052 20 10 CGCDRN COc1ccc(N(CCc2nnc(C)o2)CC(C)C)cc1 ZINC000929921411 638961736 /nfs/dbraw/zinc/96/17/36/638961736.db2.gz PYKTYSKVRHHZQO-UHFFFAOYSA-N 0 0 289.379 3.092 20 10 CGCDRN CC(C)CCOC(=O)N(C)Cc1ccccc1O ZINC000859004568 639057397 /nfs/dbraw/zinc/05/73/97/639057397.db2.gz TYAYIIYHMPMVPU-UHFFFAOYSA-N 0 0 251.326 3.007 20 10 CGCDRN CCN(Cc1ccnc(F)c1)c1ccc(OC)c(OC)c1 ZINC000859174785 639099187 /nfs/dbraw/zinc/09/91/87/639099187.db2.gz HRDWCBHZNKBSJU-UHFFFAOYSA-N 0 0 290.338 3.264 20 10 CGCDRN Nc1ccc(CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)cc1 ZINC000859594430 639170793 /nfs/dbraw/zinc/17/07/93/639170793.db2.gz ZVLMQLHLSMLZPT-UHFFFAOYSA-N 0 0 295.386 3.282 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C)CC=CC1 ZINC000932944148 639404201 /nfs/dbraw/zinc/40/42/01/639404201.db2.gz RMEYXDIWXLVTHK-UHFFFAOYSA-N 0 0 272.392 3.034 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)C12CCC(CC1)C2 ZINC000862027534 639635958 /nfs/dbraw/zinc/63/59/58/639635958.db2.gz WCWPVPRRZBLNKM-UHFFFAOYSA-N 0 0 296.370 3.137 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cccc(Cl)c1 ZINC000042117783 639912081 /nfs/dbraw/zinc/91/20/81/639912081.db2.gz LEXALDSOWLBYRH-UHFFFAOYSA-N 0 0 275.735 3.318 20 10 CGCDRN CCO[C@H](C)c1nccn1Cc1ccc(N(C)CC)cc1 ZINC000155595254 639941431 /nfs/dbraw/zinc/94/14/31/639941431.db2.gz HHDUDQYGWKTICE-CQSZACIVSA-N 0 0 287.407 3.485 20 10 CGCDRN COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000188797666 640153719 /nfs/dbraw/zinc/15/37/19/640153719.db2.gz ZGVRIAZHHXIWDE-GHMZBOCLSA-N 0 0 290.338 3.347 20 10 CGCDRN Cc1oncc1CN(C)c1ccc(OC(C)C)cc1 ZINC000191587168 640322248 /nfs/dbraw/zinc/32/22/48/640322248.db2.gz GTRIXDSAYNUBJT-UHFFFAOYSA-N 0 0 260.337 3.407 20 10 CGCDRN CC[C@@H](C(=O)NCc1cc(OC)ccc1O)c1ccccc1 ZINC000078726280 640336869 /nfs/dbraw/zinc/33/68/69/640336869.db2.gz AHCGKLRLYUTEEL-MRXNPFEDSA-N 0 0 299.370 3.211 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000079399289 640399290 /nfs/dbraw/zinc/39/92/90/640399290.db2.gz ZTDBNQARYBRPRA-SNVBAGLBSA-N 0 0 291.366 3.497 20 10 CGCDRN Cc1cnc(C(C)(C)NCc2ccc3c(c2)CCO3)s1 ZINC000080346255 640469136 /nfs/dbraw/zinc/46/91/36/640469136.db2.gz ZJHSMZNWHUHJLX-UHFFFAOYSA-N 0 0 288.416 3.411 20 10 CGCDRN CCC[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000093508680 640774376 /nfs/dbraw/zinc/77/43/76/640774376.db2.gz ACWILPLJPOHEDC-ZDUSSCGKSA-N 0 0 269.772 3.047 20 10 CGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3cccc(Br)c3[O-])C[C@@H]21 ZINC000093661093 640778874 /nfs/dbraw/zinc/77/88/74/640778874.db2.gz GUAVWFGXFXPRPW-PHIMTYICSA-N 0 0 296.208 3.243 20 10 CGCDRN O=C1[C@H](Sc2nccs2)CCCN1c1ccccc1 ZINC000114993475 640781383 /nfs/dbraw/zinc/78/13/83/640781383.db2.gz SRZMKNDFIOBVOT-GFCCVEGCSA-N 0 0 290.413 3.431 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000251709533 640831355 /nfs/dbraw/zinc/83/13/55/640831355.db2.gz IBSBOPGQXXNBGL-JTNHKYCSSA-N 0 0 261.369 3.215 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(c2)OCCO3)cc1 ZINC000000497895 640924700 /nfs/dbraw/zinc/92/47/00/640924700.db2.gz BXENXUMNCKXNRZ-UHFFFAOYSA-N 0 0 284.359 3.136 20 10 CGCDRN COc1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2C ZINC001250468517 805636353 /nfs/dbraw/zinc/63/63/53/805636353.db2.gz AGCZNBFYCHNNRI-UHFFFAOYSA-N 0 0 281.359 3.315 20 10 CGCDRN O=C(/C=C/c1ccccc1F)NCc1c(O)cccc1F ZINC001156177223 805662711 /nfs/dbraw/zinc/66/27/11/805662711.db2.gz BOCXZCAXIOLCIT-CMDGGOBGSA-N 0 0 289.281 3.000 20 10 CGCDRN Cc1nnc(Cl)cc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156924305 805752844 /nfs/dbraw/zinc/75/28/44/805752844.db2.gz WTHKLMGFBIPHAG-UHFFFAOYSA-N 0 0 290.798 3.141 20 10 CGCDRN Cc1ccc(F)c(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156923874 805753032 /nfs/dbraw/zinc/75/30/32/805753032.db2.gz JDODMEKYSCFLDC-UHFFFAOYSA-N 0 0 273.355 3.232 20 10 CGCDRN Cc1c(C(=O)NCc2c(O)ccc3ccccc32)ccn1C ZINC001157041436 805768158 /nfs/dbraw/zinc/76/81/58/805768158.db2.gz GTSHHLSSNBNUCS-UHFFFAOYSA-N 0 0 294.354 3.122 20 10 CGCDRN Cc1ccn(C)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041589 805768181 /nfs/dbraw/zinc/76/81/81/805768181.db2.gz KBKLAPZXROPMMD-UHFFFAOYSA-N 0 0 294.354 3.122 20 10 CGCDRN Oc1ccc(CNc2cc(Cl)nc3c2CCC3)cc1O ZINC001158994846 806029355 /nfs/dbraw/zinc/02/93/55/806029355.db2.gz YVFPOUBZAJYPJK-UHFFFAOYSA-N 0 0 290.750 3.247 20 10 CGCDRN Oc1ccc(CNc2cc3ccccc3cn2)cc1O ZINC001158994827 806029635 /nfs/dbraw/zinc/02/96/35/806029635.db2.gz XZYFJLNTOBTDLG-UHFFFAOYSA-N 0 0 266.300 3.258 20 10 CGCDRN COC(=O)c1c(Nc2ccc(N)cc2)sc2c1CCC2 ZINC001159151938 806052045 /nfs/dbraw/zinc/05/20/45/806052045.db2.gz FMWLRSXPLOSRJL-UHFFFAOYSA-N 0 0 288.372 3.349 20 10 CGCDRN CSc1nc(Cl)cc(NCc2cccc(C)c2O)n1 ZINC001160764095 806300154 /nfs/dbraw/zinc/30/01/54/806300154.db2.gz AYTJVQNONFFRTJ-UHFFFAOYSA-N 0 0 295.795 3.478 20 10 CGCDRN Cc1ccc(-c2cn(CCc3ccc(N)cc3)nn2)cc1 ZINC001254080926 806339076 /nfs/dbraw/zinc/33/90/76/806339076.db2.gz CIYVKJCLFYYLMQ-UHFFFAOYSA-N 0 0 278.359 3.078 20 10 CGCDRN Cc1ccccc1S(=O)(=O)Nc1ccc(O)c(C)c1C ZINC001254602332 806458613 /nfs/dbraw/zinc/45/86/13/806458613.db2.gz UCPXQODPIAKUEY-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN Nc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000036962153 798852854 /nfs/dbraw/zinc/85/28/54/798852854.db2.gz SHQLCHRITHHJBI-UHFFFAOYSA-N 0 0 294.326 3.278 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccccc2)cc1 ZINC000214206425 799133964 /nfs/dbraw/zinc/13/39/64/799133964.db2.gz DPTXQCYVITZHNZ-KAMYIIQDSA-N 0 0 294.398 3.424 20 10 CGCDRN CC[N@H+](CCC1CC1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000385626558 799427339 /nfs/dbraw/zinc/42/73/39/799427339.db2.gz AXRQPCBIASUKPU-UHFFFAOYSA-N 0 0 279.355 3.356 20 10 CGCDRN CC(C)[C@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000394089736 799494429 /nfs/dbraw/zinc/49/44/29/799494429.db2.gz QFKBQWAPFDWLRW-JTQLQIEISA-N 0 0 292.206 3.053 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000397982277 799524455 /nfs/dbraw/zinc/52/44/55/799524455.db2.gz SBHDTCZWQYRGEC-YWVKMMECSA-N 0 0 255.358 3.076 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1csnn1)c1ccccc1O ZINC000398468576 799531246 /nfs/dbraw/zinc/53/12/46/799531246.db2.gz MLJATRXAHLCVBF-GXSJLCMTSA-N 0 0 263.366 3.046 20 10 CGCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000402755536 799564308 /nfs/dbraw/zinc/56/43/08/799564308.db2.gz NDDCJSSCVKFCEU-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588404102 799688869 /nfs/dbraw/zinc/68/88/69/799688869.db2.gz JRZIXRPVSOHWGW-CLFYSBASSA-N 0 0 283.327 3.082 20 10 CGCDRN Cc1ccc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588403519 799689148 /nfs/dbraw/zinc/68/91/48/799689148.db2.gz NAEGTSSHSZLZFA-VURMDHGXSA-N 0 0 283.327 3.367 20 10 CGCDRN COc1cccc(C)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588596787 799720491 /nfs/dbraw/zinc/72/04/91/799720491.db2.gz NCKDWXLDIPRSHC-CLFYSBASSA-N 0 0 299.326 3.067 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])nc1 ZINC000689394704 799763340 /nfs/dbraw/zinc/76/33/40/799763340.db2.gz DLSZKMMTKIAWIZ-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2cccc(Cl)c2[O-])nc1 ZINC000689472198 799764188 /nfs/dbraw/zinc/76/41/88/799764188.db2.gz RHNMMNIZPBMYTL-UHFFFAOYSA-N 0 0 276.767 3.081 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000693908962 799818210 /nfs/dbraw/zinc/81/82/10/799818210.db2.gz CLBNUSQITYOUBW-DGCLKSJQSA-N 0 0 280.387 3.055 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000699242289 799857581 /nfs/dbraw/zinc/85/75/81/799857581.db2.gz BPHXQPHLLLGNGV-QWRGUYRKSA-N 0 0 279.767 3.090 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701943675 799899936 /nfs/dbraw/zinc/89/99/36/799899936.db2.gz IYJABCIOHFUNQC-VIFPVBQESA-N 0 0 261.699 3.181 20 10 CGCDRN C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703327902 799922940 /nfs/dbraw/zinc/92/29/40/799922940.db2.gz KNSZDMYVSCYPSC-JTQLQIEISA-N 0 0 281.302 3.374 20 10 CGCDRN CS[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708553410 799991644 /nfs/dbraw/zinc/99/16/44/799991644.db2.gz BVVOFWMCSUHGFS-RYUDHWBXSA-N 0 0 287.375 3.434 20 10 CGCDRN C[C@H](Cc1cccs1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708548700 799991797 /nfs/dbraw/zinc/99/17/97/799991797.db2.gz IMBDUHYHYLTGCW-SECBINFHSA-N 0 0 283.343 3.453 20 10 CGCDRN CCCOc1ccccc1NCc1nc(C)c(C)[nH]1 ZINC000709036983 800002717 /nfs/dbraw/zinc/00/27/17/800002717.db2.gz ZSJIREJQWCXFAG-UHFFFAOYSA-N 0 0 259.353 3.427 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C12CCC2 ZINC000713483002 800110582 /nfs/dbraw/zinc/11/05/82/800110582.db2.gz XCZSZNSUOGLTCC-WKPIXPDZSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000715721425 800144835 /nfs/dbraw/zinc/14/48/35/800144835.db2.gz VNPHQCBCIGQNMO-ZYHUDNBSSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccns1 ZINC000715997834 800158609 /nfs/dbraw/zinc/15/86/09/800158609.db2.gz LVOGWLNXQUFCFK-RKDXNWHRSA-N 0 0 266.341 3.400 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716081830 800165394 /nfs/dbraw/zinc/16/53/94/800165394.db2.gz IQDBMBANWXZNLV-AGUYFDCRSA-N 0 0 291.416 3.025 20 10 CGCDRN Cc1ccc(O)c(CNCc2ncc(Cl)s2)c1 ZINC000719402274 800238304 /nfs/dbraw/zinc/23/83/04/800238304.db2.gz MTFWBAUFDCHKRI-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000850379325 800516754 /nfs/dbraw/zinc/51/67/54/800516754.db2.gz LAVGVWGTIGMQRD-UWVGGRQHSA-N 0 0 287.762 3.232 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c(O)c1O ZINC001116512550 802368389 /nfs/dbraw/zinc/36/83/89/802368389.db2.gz SKIVJLIOPYNPGT-QWHCGFSZSA-N 0 0 289.375 3.059 20 10 CGCDRN CCC[C@H](OCC)C(=O)Nc1c2nonc2ccc1Cl ZINC001119199956 802634500 /nfs/dbraw/zinc/63/45/00/802634500.db2.gz QWNUSJHRYXWNTH-JTQLQIEISA-N 0 0 297.742 3.020 20 10 CGCDRN C[C@@H](CC1CCCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001120532450 802747804 /nfs/dbraw/zinc/74/78/04/802747804.db2.gz KKEQFTLYQSRUPX-ZDUSSCGKSA-N 0 0 289.423 3.427 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC001120659855 802758711 /nfs/dbraw/zinc/75/87/11/802758711.db2.gz PZMOOOUCOHYXSU-QGZVFWFLSA-N 0 0 295.386 3.219 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC001120659851 802758720 /nfs/dbraw/zinc/75/87/20/802758720.db2.gz PZMOOOUCOHYXSU-KRWDZBQOSA-N 0 0 295.386 3.219 20 10 CGCDRN Oc1cccc2c1CN(c1nc(C3CC3)nc3c1CCC3)C2 ZINC001120953792 802797290 /nfs/dbraw/zinc/79/72/90/802797290.db2.gz BJCVANSIJHDFEN-UHFFFAOYSA-N 0 0 293.370 3.069 20 10 CGCDRN Cc1cc(NC(=S)NCc2cccc(F)n2)ccc1F ZINC001201043489 811781646 /nfs/dbraw/zinc/78/16/46/811781646.db2.gz OMIFEVRSRFHGHT-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CCOc1cccc(CN2Cc3cnc(C)cc3C2)c1O ZINC001203613889 812406535 /nfs/dbraw/zinc/40/65/35/812406535.db2.gz IOUQYLKHECRBCL-UHFFFAOYSA-N 0 0 284.359 3.010 20 10 CGCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001135608686 803607053 /nfs/dbraw/zinc/60/70/53/803607053.db2.gz BASSWSGFNSVPMM-NSHDSACASA-N 0 0 296.330 3.340 20 10 CGCDRN CC(C)Cn1ccc(-c2cn(C)c3cnccc23)cc1=O ZINC001245493828 803766142 /nfs/dbraw/zinc/76/61/42/803766142.db2.gz LRJRKLPNSRTGFC-UHFFFAOYSA-N 0 0 281.359 3.058 20 10 CGCDRN Oc1cccc(F)c1CN1Cc2cccc(F)c2C1 ZINC001137839157 803779517 /nfs/dbraw/zinc/77/95/17/803779517.db2.gz UAHWRGRBIQWBMW-UHFFFAOYSA-N 0 0 261.271 3.186 20 10 CGCDRN Cc1ccccc1C[N@@H+](C)Cc1c([O-])cccc1F ZINC001137837531 803780041 /nfs/dbraw/zinc/78/00/41/803780041.db2.gz KPAQFHUNFYMNKO-UHFFFAOYSA-N 0 0 259.324 3.472 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001138131271 803865866 /nfs/dbraw/zinc/86/58/66/803865866.db2.gz UWQLLCZDXCTFKO-MRXNPFEDSA-N 0 0 293.382 3.312 20 10 CGCDRN Cc1c(CN2C[C@@H](F)C[C@H]2CF)c2ccccc2n1C ZINC001138252667 803882395 /nfs/dbraw/zinc/88/23/95/803882395.db2.gz PFDAETISAQXDTG-STQMWFEESA-N 0 0 278.346 3.369 20 10 CGCDRN CSc1cnc(F)c(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001245763009 803949123 /nfs/dbraw/zinc/94/91/23/803949123.db2.gz OWQRJWVYKZJVIW-UHFFFAOYSA-N 0 0 290.363 3.181 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001139683072 804251650 /nfs/dbraw/zinc/25/16/50/804251650.db2.gz HLQMVMZTTCSLMF-MRVPVSSYSA-N 0 0 277.261 3.148 20 10 CGCDRN C[C@H]1CCCC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685675 804251761 /nfs/dbraw/zinc/25/17/61/804251761.db2.gz SJUYMDGXNWQJIZ-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001139683941 804251837 /nfs/dbraw/zinc/25/18/37/804251837.db2.gz FUBSOHWEHSYTMQ-NSHDSACASA-N 0 0 295.251 3.240 20 10 CGCDRN C[N@@H+](Cc1c(F)ccc(F)c1[O-])C[C@@H]1CC1(C)C ZINC001139685072 804253125 /nfs/dbraw/zinc/25/31/25/804253125.db2.gz AAJODLJFNAJBFO-VIFPVBQESA-N 0 0 255.308 3.148 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC001139686343 804253932 /nfs/dbraw/zinc/25/39/32/804253932.db2.gz VHKAPUQHLJAXCT-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN C[C@H]1C[C@H](C)C[NH+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686428 804254561 /nfs/dbraw/zinc/25/45/61/804254561.db2.gz ZCIRSDVEBGNEJX-UWVGGRQHSA-N 0 0 255.308 3.148 20 10 CGCDRN CCN(Cc1c(C)ccc(C)c1O)CC(F)(F)F ZINC001140182216 804397264 /nfs/dbraw/zinc/39/72/64/804397264.db2.gz KRGFQPAYPRUVRI-UHFFFAOYSA-N 0 0 261.287 3.393 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001140582148 804466527 /nfs/dbraw/zinc/46/65/27/804466527.db2.gz DONAJTJLAWNXKY-GHMZBOCLSA-N 0 0 267.319 3.292 20 10 CGCDRN Cc1noc2ccc(-c3noc(-c4nnsc4C)n3)cc12 ZINC001212405105 815021130 /nfs/dbraw/zinc/02/11/30/815021130.db2.gz HPWYOUCELZCUTG-UHFFFAOYSA-N 0 0 299.315 3.013 20 10 CGCDRN Cc1oncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256940189 807013377 /nfs/dbraw/zinc/01/33/77/807013377.db2.gz ANHAVGZRQOEWBC-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN 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ZINC001201968739 811986971 /nfs/dbraw/zinc/98/69/71/811986971.db2.gz UOWRMCIIVHGUAM-UHFFFAOYSA-N 0 0 260.318 3.001 20 10 CGCDRN COc1ccccc1NC(=O)NCc1cccc(C)c1O ZINC001202132900 812022254 /nfs/dbraw/zinc/02/22/54/812022254.db2.gz XMPPCBYXPCOSNK-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN Cc1cc(C)c(CNC(=O)NC2CCCCC2)c(O)c1 ZINC001202622608 812139218 /nfs/dbraw/zinc/13/92/18/812139218.db2.gz NYGNIPAHPMIATK-UHFFFAOYSA-N 0 0 276.380 3.141 20 10 CGCDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1C ZINC001215304364 815505570 /nfs/dbraw/zinc/50/55/70/815505570.db2.gz LVKYOVBYPHCNCW-UHFFFAOYSA-N 0 0 282.299 3.432 20 10 CGCDRN CCc1ccc(-c2noc(-c3ccc(O)c(O)c3O)n2)cc1 ZINC001215325439 815507378 /nfs/dbraw/zinc/50/73/78/815507378.db2.gz SQGNBVXBOAIIQE-UHFFFAOYSA-N 0 0 298.298 3.083 20 10 CGCDRN CCOc1cc(C)c(N(C)c2ccc(N)cc2)cn1 ZINC001203046388 812228151 /nfs/dbraw/zinc/22/81/51/812228151.db2.gz OHJPCRNJCJBKBU-UHFFFAOYSA-N 0 0 257.337 3.139 20 10 CGCDRN Oc1cc2c(cc1O)CN(Cc1ccccc1F)CCC2 ZINC001203357268 812322242 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ZINC001357790447 937180271 /nfs/dbraw/zinc/18/02/71/937180271.db2.gz BQYUJYMKGZEXGE-UHFFFAOYSA-N 0 0 291.439 3.483 20 10 CGCDRN Oc1ccccc1CNc1nnc(Cc2ccccc2)s1 ZINC000217778832 928159241 /nfs/dbraw/zinc/15/92/41/928159241.db2.gz OFCKQLZFWRQIDU-UHFFFAOYSA-N 0 0 297.383 3.447 20 10 CGCDRN CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000397015058 928778280 /nfs/dbraw/zinc/77/82/80/928778280.db2.gz AINOEPWUVYOKOQ-AWEZNQCLSA-N 0 0 261.369 3.311 20 10 CGCDRN C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1O ZINC001454805524 937412747 /nfs/dbraw/zinc/41/27/47/937412747.db2.gz KIHSBQVVWGIHRE-SECBINFHSA-N 0 0 277.270 3.161 20 10 CGCDRN CC[C@H](C)CN(C)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001458181235 937453497 /nfs/dbraw/zinc/45/34/97/937453497.db2.gz GYUZTHSNBBOFFL-JTQLQIEISA-N 0 0 282.340 3.094 20 10 CGCDRN Oc1cccc(F)c1CNc1c(F)c(F)nc(F)c1F ZINC001458617309 937470433 /nfs/dbraw/zinc/47/04/33/937470433.db2.gz KBJVZJQZGBTSJF-UHFFFAOYSA-N 0 0 290.191 3.095 20 10 CGCDRN Cc1cccc(CNc2ccc3occc3n2)c1O ZINC001160769773 931984331 /nfs/dbraw/zinc/98/43/31/931984331.db2.gz UPJIGOXLUQSMPY-UHFFFAOYSA-N 0 0 254.289 3.454 20 10 CGCDRN CC1(C)CC([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001461644820 937589766 /nfs/dbraw/zinc/58/97/66/937589766.db2.gz FQWYMDJATJISGO-UHFFFAOYSA-N 0 0 257.736 3.463 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC001461730415 937594353 /nfs/dbraw/zinc/59/43/53/937594353.db2.gz LVDGZTSVAKWMJE-UHFFFAOYSA-N 0 0 299.704 3.319 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccccc1C ZINC001461748736 937594995 /nfs/dbraw/zinc/59/49/95/937594995.db2.gz TYQJNLQQYNBQCD-CMDGGOBGSA-N 0 0 272.373 3.436 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC001331704775 932714835 /nfs/dbraw/zinc/71/48/35/932714835.db2.gz YSTNPPSYDPBWAY-WDEREUQCSA-N 0 0 297.370 3.302 20 10 CGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2F)c(F)c1F ZINC001303876136 932836005 /nfs/dbraw/zinc/83/60/05/932836005.db2.gz WHJPBPNRGYUFFC-UHFFFAOYSA-N 0 0 295.260 3.048 20 10 CGCDRN OCc1ccnc(NCc2ccc3ccccc3c2O)c1 ZINC001462360142 937635647 /nfs/dbraw/zinc/63/56/47/937635647.db2.gz GNFLBPOKSZTLDP-UHFFFAOYSA-N 0 0 280.327 3.045 20 10 CGCDRN CC(C)n1cc(NCc2ccc(Cl)cc2O)cn1 ZINC001462382972 937636584 /nfs/dbraw/zinc/63/65/84/937636584.db2.gz KGRCPYLZQNCYQT-UHFFFAOYSA-N 0 0 265.744 3.435 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001462657947 937657206 /nfs/dbraw/zinc/65/72/06/937657206.db2.gz KBZLPOGWFXWVFN-DFAYQTQMSA-N 0 0 269.747 3.463 20 10 CGCDRN Cc1ccncc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001308779843 933174996 /nfs/dbraw/zinc/17/49/96/933174996.db2.gz VACJUCLKEGMABX-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN CNc1ccccc1CN(C)c1ccc(OC)cc1 ZINC001308852301 933190324 /nfs/dbraw/zinc/19/03/24/933190324.db2.gz YDGMUJRBNHZIIJ-UHFFFAOYSA-N 0 0 256.349 3.373 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]CCc1ccc(F)cc1 ZINC001308948558 933209845 /nfs/dbraw/zinc/20/98/45/933209845.db2.gz OXBPTTGVLPETLT-UHFFFAOYSA-N 0 0 263.287 3.003 20 10 CGCDRN CC(=O)c1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001309985630 933247676 /nfs/dbraw/zinc/24/76/76/933247676.db2.gz BBFYTAPIJVISBL-UHFFFAOYSA-N 0 0 296.326 3.143 20 10 CGCDRN Cc1csc(NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC001309986247 933248072 /nfs/dbraw/zinc/24/80/72/933248072.db2.gz KIIQRMXOLLSPEI-UHFFFAOYSA-N 0 0 297.767 3.132 20 10 CGCDRN CCc1[nH]nc(NCc2cccc(Cl)c2O)c1C ZINC001319840260 933943045 /nfs/dbraw/zinc/94/30/45/933943045.db2.gz YCHGGUUNMWQHTJ-UHFFFAOYSA-N 0 0 265.744 3.252 20 10 CGCDRN O=C([C@H]1Cc2ccc(Cl)cc21)N1Cc2cccc(O)c2C1 ZINC001471355487 937764810 /nfs/dbraw/zinc/76/48/10/937764810.db2.gz JHFREKYBCRSAHH-AWEZNQCLSA-N 0 0 299.757 3.228 20 10 CGCDRN Cc1ncccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085428 937772407 /nfs/dbraw/zinc/77/24/07/937772407.db2.gz SOXUQWOEDHYHIH-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)C1CCCC1 ZINC001472086130 937772535 /nfs/dbraw/zinc/77/25/35/937772535.db2.gz NFUNZFNJJJAUQH-UHFFFAOYSA-N 0 0 269.344 3.352 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001324275759 934480124 /nfs/dbraw/zinc/48/01/24/934480124.db2.gz VCKDCUUMSXKPNA-ZUZCIYMTSA-N 0 0 299.773 3.186 20 10 CGCDRN Cc1cnc(C)c(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001472649009 937779119 /nfs/dbraw/zinc/77/91/19/937779119.db2.gz QEPVZJKWGAKKBN-UHFFFAOYSA-N 0 0 296.418 3.330 20 10 CGCDRN COc1ccc(N(CCOC2CC2)CC2CC2)cc1 ZINC001473484183 937808363 /nfs/dbraw/zinc/80/83/63/937808363.db2.gz AYILACOBESMLCK-UHFFFAOYSA-N 0 0 261.365 3.091 20 10 CGCDRN CC(=O)Nc1ccc(NCc2c(O)cccc2Cl)nc1 ZINC001325131865 934889077 /nfs/dbraw/zinc/88/90/77/934889077.db2.gz JPTZXWVZURDCAF-UHFFFAOYSA-N 0 0 291.738 3.011 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N1CC2(CC2)c2ccccc21 ZINC001325166066 934891308 /nfs/dbraw/zinc/89/13/08/934891308.db2.gz MPFZIWBILFJJRF-HJWRWDBZSA-N 0 0 290.366 3.482 20 10 CGCDRN Cc1csc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC001325776524 934928985 /nfs/dbraw/zinc/92/89/85/934928985.db2.gz PGNJYBBPIZKBOF-LLVKDONJSA-N 0 0 289.404 3.009 20 10 CGCDRN CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCSC2)cc1F ZINC001329142723 935189698 /nfs/dbraw/zinc/18/96/98/935189698.db2.gz ZSQPOPJKELVADD-LLVKDONJSA-N 0 0 286.391 3.016 20 10 CGCDRN Cc1cnc(NCc2ccc(N3CCSCC3)cc2)o1 ZINC001331075406 935347150 /nfs/dbraw/zinc/34/71/50/935347150.db2.gz SYFTVYRRWAHGRJ-UHFFFAOYSA-N 0 0 289.404 3.148 20 10 CGCDRN Cc1cc(C(=O)N(C)c2ccc(N)cc2)c(C)n1CC1CC1 ZINC001331725003 935405846 /nfs/dbraw/zinc/40/58/46/935405846.db2.gz KTNROCYZTJTZAZ-UHFFFAOYSA-N 0 0 297.402 3.374 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC23CC3)cc1F ZINC001332480501 935473129 /nfs/dbraw/zinc/47/31/29/935473129.db2.gz AVQKDQTUDBVBSD-CYBMUJFWSA-N 0 0 290.382 3.088 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCC[C@@H](F)C2)ccc(F)c1F ZINC001333368791 935529997 /nfs/dbraw/zinc/52/99/97/935529997.db2.gz LZYXYLZSIWWVIT-ZJUUUORDSA-N 0 0 259.271 3.041 20 10 CGCDRN CC(C)(CF)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001333680884 935561808 /nfs/dbraw/zinc/56/18/08/935561808.db2.gz YVKMIDAIYNOLOB-UHFFFAOYSA-N 0 0 294.139 3.132 20 10 CGCDRN CCCCCN(C(=O)NCc1ccc(N)cc1)C(C)C ZINC001335732471 936156769 /nfs/dbraw/zinc/15/67/69/936156769.db2.gz ZCKWHZQUHIESTE-UHFFFAOYSA-N 0 0 277.412 3.379 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC(F)F)cc1 ZINC001337712100 936281955 /nfs/dbraw/zinc/28/19/55/936281955.db2.gz DZHIQXMQFRUHHT-UHFFFAOYSA-N 0 0 292.329 3.479 20 10 CGCDRN COc1nscc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001474253515 937846610 /nfs/dbraw/zinc/84/66/10/937846610.db2.gz ROIACKUPOAFRQN-PLNGDYQASA-N 0 0 289.404 3.343 20 10 CGCDRN OC[C@H]1CN(Cc2ccc(Cl)cc2O)c2ccccc21 ZINC001474538608 937866007 /nfs/dbraw/zinc/86/60/07/937866007.db2.gz WFJSQNBQLUYRGL-GFCCVEGCSA-N 0 0 289.762 3.142 20 10 CGCDRN C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001474582937 937868314 /nfs/dbraw/zinc/86/83/14/937868314.db2.gz TXEGEZWFJBSIRR-VIFPVBQESA-N 0 0 255.308 3.291 20 10 CGCDRN CO[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CCCCC1 ZINC001474645789 937872603 /nfs/dbraw/zinc/87/26/03/937872603.db2.gz MAXBXFXFNILYCR-CQSZACIVSA-N 0 0 299.361 3.355 20 10 CGCDRN CN(C)c1cncc(NCc2cccc(Cl)c2O)c1 ZINC001474660500 937873674 /nfs/dbraw/zinc/87/36/74/937873674.db2.gz PGOHEHMBVPUDJX-UHFFFAOYSA-N 0 0 277.755 3.119 20 10 CGCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474744980 937878358 /nfs/dbraw/zinc/87/83/58/937878358.db2.gz NKLKXNGIEJVNKG-LLVKDONJSA-N 0 0 276.767 3.161 20 10 CGCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)sn1 ZINC001476602176 937889160 /nfs/dbraw/zinc/88/91/60/937889160.db2.gz JJWKHWDNPJCEOM-SECBINFHSA-N 0 0 277.349 3.040 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001520359498 938024971 /nfs/dbraw/zinc/02/49/71/938024971.db2.gz PKRAEOPPBPNCHJ-BZNPZCIMSA-N 0 0 291.738 3.107 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1ccc(F)c(F)c1 ZINC001535125500 938099106 /nfs/dbraw/zinc/09/91/06/938099106.db2.gz IORYVRVBHCUYGZ-YVMONPNESA-N 0 0 288.297 3.344 20 10 CGCDRN Cc1cccc2c1CCN2C(=O)/C=C\c1cccnc1C ZINC001536280579 938104298 /nfs/dbraw/zinc/10/42/98/938104298.db2.gz PWLYQZSAVJJRAR-HJWRWDBZSA-N 0 0 278.355 3.301 20 10 CGCDRN COc1ccc(CNC(=O)NCCCCC(C)C)c(O)c1 ZINC001564124713 938201115 /nfs/dbraw/zinc/20/11/15/938201115.db2.gz LZMRAJMYFUZHMD-UHFFFAOYSA-N 0 0 294.395 3.026 20 10 CGCDRN C[C@@H](NC(=O)c1cccc2cccnc21)c1ccccc1O ZINC001557967275 938212858 /nfs/dbraw/zinc/21/28/58/938212858.db2.gz YXVQACPJMPGFKO-GFCCVEGCSA-N 0 0 292.338 3.431 20 10 CGCDRN CC(C)[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC001558365622 938214863 /nfs/dbraw/zinc/21/48/63/938214863.db2.gz XLABOGWGAMRAER-OAHLLOKOSA-N 0 0 299.370 3.095 20 10 CGCDRN CC[C@H](CC(=O)NCc1c(O)cccc1O)C(C)(C)C ZINC001558536146 938216138 /nfs/dbraw/zinc/21/61/38/938216138.db2.gz UMUJLNFYJURMTP-LLVKDONJSA-N 0 0 279.380 3.176 20 10 CGCDRN COC(=O)c1cc(OCC2CCCC2)ccc1N(C)C ZINC001559457012 938226828 /nfs/dbraw/zinc/22/68/28/938226828.db2.gz WWYZBRWIYQRURN-UHFFFAOYSA-N 0 0 277.364 3.108 20 10 CGCDRN COc1ccc(N(CC(=O)OCC(C)C)CC2CC2)cc1 ZINC001559848626 938237195 /nfs/dbraw/zinc/23/71/95/938237195.db2.gz WVDFGNFCJPHLLP-UHFFFAOYSA-N 0 0 291.391 3.111 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC001560122821 938244488 /nfs/dbraw/zinc/24/44/88/938244488.db2.gz IXBKHHUBMNGHGW-DLBZAZTESA-N 0 0 275.392 3.479 20 10 CGCDRN CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560778511 938275433 /nfs/dbraw/zinc/27/54/33/938275433.db2.gz DCJDIJWKMOTHBR-ZBFHGGJFSA-N 0 0 299.361 3.354 20 10 CGCDRN CCOc1ccc(CN(C)c2ccc(OC)cc2)o1 ZINC001560917862 938283904 /nfs/dbraw/zinc/28/39/04/938283904.db2.gz BHISKAFJGWSNKT-UHFFFAOYSA-N 0 0 261.321 3.323 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2)c(O)c1 ZINC001611171480 970922835 /nfs/dbraw/zinc/92/28/35/970922835.db2.gz NKORGQKELPIKCH-GFCCVEGCSA-N 0 0 285.343 3.250 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC(C(C)C)C(C)C)c1 ZINC001564319619 960570819 /nfs/dbraw/zinc/57/08/19/960570819.db2.gz IMSKVRXEJKJTPQ-UHFFFAOYSA-N 0 0 278.396 3.180 20 10 CGCDRN C/C(=C\C(=O)NCCc1ccc(N)cc1)c1cccc(F)c1 ZINC001574971199 962340946 /nfs/dbraw/zinc/34/09/46/962340946.db2.gz ATDLHMFMPLBQAI-ACCUITESSA-N 0 0 298.361 3.170 20 10 CGCDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)c1ccc(N)cc1 ZINC001579734914 962660723 /nfs/dbraw/zinc/66/07/23/962660723.db2.gz SNCRLVADHFFGGV-UHFFFAOYSA-N 0 0 299.330 3.070 20 10 CGCDRN Nc1ccc(NCc2cn3cc(Cl)ccc3n2)cc1 ZINC001580449867 962725283 /nfs/dbraw/zinc/72/52/83/962725283.db2.gz WYOAYGJWVXWAKK-UHFFFAOYSA-N 0 0 272.739 3.182 20 10 CGCDRN C[C@@H](NC(=O)c1nccc2occc21)c1ccccc1O ZINC001587447271 963194049 /nfs/dbraw/zinc/19/40/49/963194049.db2.gz NPXJCDSQTUBRKN-SNVBAGLBSA-N 0 0 282.299 3.024 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C(=O)[O-] ZINC001603462021 973311841 /nfs/dbraw/zinc/31/18/41/973311841.db2.gz XCLOWIKCIKMXDR-DOMZBBRYSA-N 0 0 299.370 3.088 20 10 CGCDRN CCCC[C@@H]([NH2+]Cc1cc(C(C)C)ccc1O)C(=O)[O-] ZINC001595638330 981944359 /nfs/dbraw/zinc/94/43/59/981944359.db2.gz OJKSMMVXHDLHCY-CQSZACIVSA-N 0 0 279.380 3.249 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cc(C(=O)[O-])ccc1O ZINC001593257761 994535419 /nfs/dbraw/zinc/53/54/19/994535419.db2.gz SWWAOCCCNCCWIP-PWSUYJOCSA-N 0 0 295.404 3.027 20 10 CGCDRN CCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031099190 344924735 /nfs/dbraw/zinc/92/47/35/344924735.db2.gz XZOAUSTUEDBDKK-ZDUSSCGKSA-N 0 0 277.412 3.083 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000053915150 345126151 /nfs/dbraw/zinc/12/61/51/345126151.db2.gz DPQWQTPDEQXCIA-CVEARBPZSA-N 0 0 299.345 3.293 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(C)n1 ZINC000066096535 345283722 /nfs/dbraw/zinc/28/37/22/345283722.db2.gz ZONUMLSTBDITDX-UHFFFAOYSA-N 0 0 284.359 3.148 20 10 CGCDRN COCc1cccc(NCc2cccc(C)c2O)c1 ZINC000124621312 370926334 /nfs/dbraw/zinc/92/63/34/370926334.db2.gz BAESIESKJXVJRD-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccccc1F ZINC000493490129 244174116 /nfs/dbraw/zinc/17/41/16/244174116.db2.gz HVAHDOFJIXMCSS-FPLPWBNLSA-N 0 0 270.307 3.205 20 10 CGCDRN CC(C)[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411873 369219506 /nfs/dbraw/zinc/21/95/06/369219506.db2.gz BQUWGQQQCCQFJA-SECBINFHSA-N 0 0 272.186 3.289 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187920679 296157308 /nfs/dbraw/zinc/15/73/08/296157308.db2.gz ITIFEAZBRSTGBX-UDZFHETQSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(F)cc1[O-] ZINC000133980259 371294695 /nfs/dbraw/zinc/29/46/95/371294695.db2.gz LTNQGNJOVJRGDS-QMTHXVAHSA-N 0 0 269.385 3.468 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1=CCCOC1 ZINC000288479270 371739016 /nfs/dbraw/zinc/73/90/16/371739016.db2.gz PRTMCVVAWRZFSS-UHFFFAOYSA-N 0 0 288.174 3.135 20 10 CGCDRN COCCc1ccnc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000287643677 371686775 /nfs/dbraw/zinc/68/67/75/371686775.db2.gz URQDZUTWOZZTOA-LLVKDONJSA-N 0 0 290.338 3.288 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000293643907 372434915 /nfs/dbraw/zinc/43/49/15/372434915.db2.gz ODKINBDXSQKXDV-SECBINFHSA-N 0 0 287.762 3.089 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCc1ccccn1 ZINC000293714396 372459332 /nfs/dbraw/zinc/45/93/32/372459332.db2.gz UYKBHZFKNBWWMV-UHFFFAOYSA-N 0 0 294.757 3.302 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)cc1[O-] ZINC000168818201 372621644 /nfs/dbraw/zinc/62/16/44/372621644.db2.gz BYJBBIYPCMCUJK-ONGXEEELSA-N 0 0 287.425 3.031 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000294302379 372643782 /nfs/dbraw/zinc/64/37/82/372643782.db2.gz VGEKQWYAWNTLSL-WHOFXGATSA-N 0 0 263.381 3.030 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCCC(=O)C(C)(C)C ZINC000294820287 372672230 /nfs/dbraw/zinc/67/22/30/372672230.db2.gz KKDQKMVLMXKWBA-UHFFFAOYSA-N 0 0 291.391 3.136 20 10 CGCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1cccc(OC)c1O ZINC000294799628 372672915 /nfs/dbraw/zinc/67/29/15/372672915.db2.gz DYMYDZBVHBGLAY-TZMCWYRMSA-N 0 0 291.391 3.233 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c1O ZINC000295116442 372693542 /nfs/dbraw/zinc/69/35/42/372693542.db2.gz WUERQNMGNBESEF-HNNXBMFYSA-N 0 0 293.407 3.038 20 10 CGCDRN COc1ccc(N(C)Cc2ccncc2C)cc1F ZINC000295354893 372747709 /nfs/dbraw/zinc/74/77/09/372747709.db2.gz ITFZFRBLHSEQMS-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN CC(C)[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171965669 372869616 /nfs/dbraw/zinc/86/96/16/372869616.db2.gz FYKQMHXYBIKRAY-CQSZACIVSA-N 0 0 274.408 3.195 20 10 CGCDRN CCc1ccc(CCC(=O)NCc2ccc(N)cc2)cc1 ZINC000297279942 373263737 /nfs/dbraw/zinc/26/37/37/373263737.db2.gz TYARXOYYTBFYAR-UHFFFAOYSA-N 0 0 282.387 3.080 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CC1CCCCC1 ZINC000298773863 373405606 /nfs/dbraw/zinc/40/56/06/373405606.db2.gz DZSCMNOTUUUZSC-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CC(C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298716600 373391445 /nfs/dbraw/zinc/39/14/45/373391445.db2.gz JLVJXLAZIUQFPQ-UHFFFAOYSA-N 0 0 289.423 3.083 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nccs1 ZINC000299061860 373454118 /nfs/dbraw/zinc/45/41/18/373454118.db2.gz UPYJJKMDJSFVPK-NXEZZACHSA-N 0 0 270.423 3.025 20 10 CGCDRN Cc1ccnc(NCc2ccc(N(C)C)cc2C)c1 ZINC000301624548 373791896 /nfs/dbraw/zinc/79/18/96/373791896.db2.gz GQXPNXZMAKUCIB-UHFFFAOYSA-N 0 0 255.365 3.377 20 10 CGCDRN Cc1nc(C)c(C)c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000301702810 373799155 /nfs/dbraw/zinc/79/91/55/373799155.db2.gz UHWKKVCPNFPNAV-UHFFFAOYSA-N 0 0 288.370 3.219 20 10 CGCDRN CN(Cc1ccccc1O)c1ccc(OC(F)F)cn1 ZINC000302680075 373926606 /nfs/dbraw/zinc/92/66/06/373926606.db2.gz WIJRJLFTFPTUDJ-UHFFFAOYSA-N 0 0 280.274 3.025 20 10 CGCDRN CC(C)[C@H](C)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180704279 374037648 /nfs/dbraw/zinc/03/76/48/374037648.db2.gz DPUNQFPXQWTAFI-LHXVZLOVSA-N 0 0 289.375 3.147 20 10 CGCDRN Cc1ccc(C(=O)N2CCCCc3ccccc32)c(O)c1O ZINC000182377861 374265479 /nfs/dbraw/zinc/26/54/79/374265479.db2.gz OTFVWFKXAXLADJ-UHFFFAOYSA-N 0 0 297.354 3.389 20 10 CGCDRN c1cc(NCc2ccc(N3CCCCC3)cc2)no1 ZINC000182193251 374233412 /nfs/dbraw/zinc/23/34/12/374233412.db2.gz KIJRDUHSPSATCD-UHFFFAOYSA-N 0 0 257.337 3.277 20 10 CGCDRN C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccccc1O ZINC000183698735 374442299 /nfs/dbraw/zinc/44/22/99/374442299.db2.gz SFDKGPQOWVPOON-LBPRGKRZSA-N 0 0 284.359 3.394 20 10 CGCDRN CCN(C(=O)NCc1c(C)c2ccccc2n1C)C1CC1 ZINC000472234567 375013066 /nfs/dbraw/zinc/01/30/66/375013066.db2.gz RTIVQBFCIFKGIW-UHFFFAOYSA-N 0 0 285.391 3.181 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187725173 375081120 /nfs/dbraw/zinc/08/11/20/375081120.db2.gz AXNRYBSWRURRMX-UWVGGRQHSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)c(F)c1[O-] ZINC000187760242 375088963 /nfs/dbraw/zinc/08/89/63/375088963.db2.gz QTONEMVEKFFMJR-RMIQQSQVSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)(C)C ZINC000475954662 375137056 /nfs/dbraw/zinc/13/70/56/375137056.db2.gz MNBLJYMDMLJVFM-LBPRGKRZSA-N 0 0 290.407 3.160 20 10 CGCDRN C[C@@H]([NH2+]CCOc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191184390 375592161 /nfs/dbraw/zinc/59/21/61/375592161.db2.gz ZQZMFNBDMQKHMM-LLVKDONJSA-N 0 0 293.313 3.400 20 10 CGCDRN CCCOc1ccc(CNc2ccncc2F)c(O)c1 ZINC000192150670 375704110 /nfs/dbraw/zinc/70/41/10/375704110.db2.gz QZFVDHQISVNUFW-UHFFFAOYSA-N 0 0 276.311 3.327 20 10 CGCDRN CO[C@H](C[N@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000528419839 375901971 /nfs/dbraw/zinc/90/19/71/375901971.db2.gz QQFOXFZAUVOUER-QGZVFWFLSA-N 0 0 289.350 3.351 20 10 CGCDRN CCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000226249230 376345813 /nfs/dbraw/zinc/34/58/13/376345813.db2.gz SCECWRYZBHXMOA-ZDUSSCGKSA-N 0 0 292.206 3.340 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1cccnc1 ZINC000255002978 377722799 /nfs/dbraw/zinc/72/27/99/377722799.db2.gz XCRXIAPDXZUQII-KHPPLWFESA-N 0 0 282.343 3.157 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccccc2N(C)C)c1 ZINC000255539501 377764796 /nfs/dbraw/zinc/76/47/96/377764796.db2.gz WERNLWUAWNWJIF-KTKRTIGZSA-N 0 0 295.386 3.132 20 10 CGCDRN Cc1cccc(C2(C(=O)N(C)Cc3ccccc3O)CC2)c1 ZINC000264092520 377955810 /nfs/dbraw/zinc/95/58/10/377955810.db2.gz STLRMNGCURARRD-UHFFFAOYSA-N 0 0 295.382 3.391 20 10 CGCDRN Cc1[nH]ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267311955 378034977 /nfs/dbraw/zinc/03/49/77/378034977.db2.gz AUNGLBZFSISSMN-UHFFFAOYSA-N 0 0 297.402 3.194 20 10 CGCDRN COc1ccc(N(C)CCCc2nc(C)no2)cc1Cl ZINC000268753502 378103418 /nfs/dbraw/zinc/10/34/18/378103418.db2.gz TWECGKWQJYZXCA-UHFFFAOYSA-N 0 0 295.770 3.109 20 10 CGCDRN CCOc1ccccc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000269225540 378198524 /nfs/dbraw/zinc/19/85/24/378198524.db2.gz MGETWWXBLTWXIB-ZDUSSCGKSA-N 0 0 298.386 3.087 20 10 CGCDRN Cc1ccccc1[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000269235576 378200634 /nfs/dbraw/zinc/20/06/34/378200634.db2.gz UDDKHAUGIPPJMO-MRXNPFEDSA-N 0 0 294.398 3.136 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C)cc1OC ZINC000271752135 378502430 /nfs/dbraw/zinc/50/24/30/378502430.db2.gz VZWDBXZZRZTXTE-RYUDHWBXSA-N 0 0 279.380 3.030 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000271775386 378504496 /nfs/dbraw/zinc/50/44/96/378504496.db2.gz CNMJQTIEELYFED-ZDUSSCGKSA-N 0 0 291.782 3.244 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])N(C)C ZINC000273361924 378742698 /nfs/dbraw/zinc/74/26/98/378742698.db2.gz AORBTUBSZGLQLC-BDAKNGLRSA-N 0 0 291.222 3.300 20 10 CGCDRN CCSCC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273597375 378755550 /nfs/dbraw/zinc/75/55/50/378755550.db2.gz QXGACDJSUHUTHM-QWRGUYRKSA-N 0 0 298.408 3.483 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375321330 379493837 /nfs/dbraw/zinc/49/38/37/379493837.db2.gz PRHHDXQJFMLFSD-TZMCWYRMSA-N 0 0 299.773 3.328 20 10 CGCDRN CCCC[N@H+](CCOCC)Cc1ccccc1O ZINC000282326484 379899102 /nfs/dbraw/zinc/89/91/02/379899102.db2.gz ANKFOWYHJVLHMI-UHFFFAOYSA-N 0 0 251.370 3.031 20 10 CGCDRN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccn(C)n1 ZINC000414150645 380193136 /nfs/dbraw/zinc/19/31/36/380193136.db2.gz PHNQWJNZTOYVRB-ZDUSSCGKSA-N 0 0 282.391 3.071 20 10 CGCDRN O=C(Nc1ccc2[nH]ccc2c1)C1=CC(=O)CS1 ZINC000733357746 572558961 /nfs/dbraw/zinc/55/89/61/572558961.db2.gz FUADOGFCSMGNJV-UHFFFAOYSA-N 0 0 258.302 3.187 20 10 CGCDRN COc1cccc(CNc2ccc([N+](=O)[O-])cc2C)c1O ZINC000037061805 391980509 /nfs/dbraw/zinc/98/05/09/391980509.db2.gz ZBMHXELZQQWGSZ-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN CN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1O ZINC000109772323 392373137 /nfs/dbraw/zinc/37/31/37/392373137.db2.gz BYJVOFBYXIJYJP-UHFFFAOYSA-N 0 0 274.364 3.310 20 10 CGCDRN CC[C@@H]([NH2+]CCC[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287164644 392393668 /nfs/dbraw/zinc/39/36/68/392393668.db2.gz UGJMFKVEECNPPB-GXFFZTMASA-N 0 0 271.788 3.247 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1cccc(Cl)c1[O-] ZINC000287535819 392400734 /nfs/dbraw/zinc/40/07/34/392400734.db2.gz DVODAKBTQVRQTL-CHWSQXEVSA-N 0 0 271.788 3.103 20 10 CGCDRN CCCc1noc(COc2ccc(N3CCCC3)cc2)n1 ZINC000178196798 392674533 /nfs/dbraw/zinc/67/45/33/392674533.db2.gz PARIQURVSLIXGT-UHFFFAOYSA-N 0 0 287.363 3.201 20 10 CGCDRN Cc1cc(COc2ccc(N3CCCC3)cc2)no1 ZINC000178194004 392674583 /nfs/dbraw/zinc/67/45/83/392674583.db2.gz XAMGLXCSOMOTDT-UHFFFAOYSA-N 0 0 258.321 3.162 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cccnc1 ZINC000174068544 392634186 /nfs/dbraw/zinc/63/41/86/392634186.db2.gz TZMGSHPMJVIDPO-CQSZACIVSA-N 0 0 298.386 3.330 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000374897161 392716075 /nfs/dbraw/zinc/71/60/75/392716075.db2.gz POPPSEIRCLTDTR-UHFFFAOYSA-N 0 0 293.382 3.170 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCC[C@](C)(OC)CC2)c1O ZINC000280239751 393340373 /nfs/dbraw/zinc/34/03/73/393340373.db2.gz KLGCXXAELVLYEQ-KRWDZBQOSA-N 0 0 293.407 3.182 20 10 CGCDRN Nc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000022175694 171370588 /nfs/dbraw/zinc/37/05/88/171370588.db2.gz RTGYVQXFHDOXDH-UHFFFAOYSA-N 0 0 288.322 3.206 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000037328734 173129252 /nfs/dbraw/zinc/12/92/52/173129252.db2.gz IDYBBAFYRDOUHI-SECBINFHSA-N 0 0 281.783 3.479 20 10 CGCDRN Cc1cc([N+](=O)[O-])ccc1N(C)Cc1ccccc1O ZINC000302616191 227870145 /nfs/dbraw/zinc/87/01/45/227870145.db2.gz FYYBTHYMJPQFJN-UHFFFAOYSA-N 0 0 272.304 3.245 20 10 CGCDRN Oc1ccccc1C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000084847092 260001420 /nfs/dbraw/zinc/00/14/20/260001420.db2.gz GCILCXMGLORUGW-GOSISDBHSA-N 0 0 296.414 3.319 20 10 CGCDRN CCCN(Cc1nccn1C(F)F)Cc1ccccc1O ZINC000075829161 260291810 /nfs/dbraw/zinc/29/18/10/260291810.db2.gz AEBKCKIBKBOXSG-UHFFFAOYSA-N 0 0 295.333 3.396 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000158551241 261167087 /nfs/dbraw/zinc/16/70/87/261167087.db2.gz NUZZIVYVMZKWSH-RHSMWYFYSA-N 0 0 298.386 3.001 20 10 CGCDRN O=C(CCCC1CCCCC1)NCc1ccc(O)c(O)c1 ZINC000158900857 261173904 /nfs/dbraw/zinc/17/39/04/261173904.db2.gz WPNROEIAIJJNRN-UHFFFAOYSA-N 0 0 291.391 3.465 20 10 CGCDRN CCC[N@H+](Cc1ccccn1)Cc1ccccc1O ZINC000160159489 261206949 /nfs/dbraw/zinc/20/69/49/261206949.db2.gz YEYZLOSQSCTRDC-UHFFFAOYSA-N 0 0 256.349 3.199 20 10 CGCDRN CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181095752 261885356 /nfs/dbraw/zinc/88/53/56/261885356.db2.gz SXNRAWLTCMAQBO-STMXVASLSA-N 0 0 289.375 3.150 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000185162412 262044485 /nfs/dbraw/zinc/04/44/85/262044485.db2.gz ZSMRMEPXKCLCTK-MGPLVRAMSA-N 0 0 293.313 3.055 20 10 CGCDRN CCc1nc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cs1 ZINC000185310695 262050362 /nfs/dbraw/zinc/05/03/62/262050362.db2.gz NPAXFIJUUQNCQX-SNVBAGLBSA-N 0 0 294.395 3.444 20 10 CGCDRN C[C@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185456557 262054784 /nfs/dbraw/zinc/05/47/84/262054784.db2.gz ARZXPPQIMNHZRM-YUMQZZPRSA-N 0 0 278.179 3.121 20 10 CGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186174625 262082937 /nfs/dbraw/zinc/08/29/37/262082937.db2.gz PYCIWTLVJFVNDS-XHDPSFHLSA-N 0 0 283.387 3.225 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)ccn2)c1 ZINC000186242789 262085563 /nfs/dbraw/zinc/08/55/63/262085563.db2.gz VCKYBEHEMRNDEC-LLVKDONJSA-N 0 0 258.321 3.277 20 10 CGCDRN CCOc1cccc(CNc2cncc(C)c2)c1O ZINC000119570702 262167967 /nfs/dbraw/zinc/16/79/67/262167967.db2.gz QBCFZBVPEOCGTI-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN COc1ccc(O)c([C@@H](C)[NH2+]CC2(C3CC3)CC2)c1 ZINC000186161900 262312330 /nfs/dbraw/zinc/31/23/30/262312330.db2.gz KPHSFWASUNJPRK-LLVKDONJSA-N 0 0 261.365 3.242 20 10 CGCDRN CS[C@@H]1CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272440190 263004387 /nfs/dbraw/zinc/00/43/87/263004387.db2.gz OMOCKWZSOBZPGU-GFCCVEGCSA-N 0 0 269.385 3.249 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000290209055 263115456 /nfs/dbraw/zinc/11/54/56/263115456.db2.gz QJABCBLNSPZBLE-GFCCVEGCSA-N 0 0 289.762 3.311 20 10 CGCDRN CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(F)cc1[O-] ZINC000291084969 263119930 /nfs/dbraw/zinc/11/99/30/263119930.db2.gz CHPNNHOEUPNDAZ-ZBFHGGJFSA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c(O)c1O ZINC000376868099 268026423 /nfs/dbraw/zinc/02/64/23/268026423.db2.gz DHFWYXUSQPKYPW-DIFFPNOSSA-N 0 0 289.375 3.059 20 10 CGCDRN CC1(C)CC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287494341 328251349 /nfs/dbraw/zinc/25/13/49/328251349.db2.gz RFLYJOBRYYPCBQ-INIZCTEOSA-N 0 0 299.418 3.051 20 10 CGCDRN CCCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)c(O)c1 ZINC000291323680 328263219 /nfs/dbraw/zinc/26/32/19/328263219.db2.gz TUXLTVPDHOGSQG-OAHLLOKOSA-N 0 0 293.407 3.180 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccccc2)s1 ZINC000255739614 327012233 /nfs/dbraw/zinc/01/22/33/327012233.db2.gz CLGWKEBYUNOYCT-HJWRWDBZSA-N 0 0 258.346 3.128 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000377620431 329020970 /nfs/dbraw/zinc/02/09/70/329020970.db2.gz FSVCOVSMABXXHA-CQSZACIVSA-N 0 0 291.782 3.496 20 10 CGCDRN CCC[C@@]1(CO)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377839680 329031460 /nfs/dbraw/zinc/03/14/60/329031460.db2.gz LHIMXZRHHRPTOC-OAHLLOKOSA-N 0 0 283.799 3.030 20 10 CGCDRN Cc1ccc(O)c(CNc2cn(C)nc2-c2ccccn2)c1 ZINC000378644428 329057944 /nfs/dbraw/zinc/05/79/44/329057944.db2.gz LNDWAWBIAFWUAF-UHFFFAOYSA-N 0 0 294.358 3.108 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H]2CCCO[C@H]21 ZINC000360037584 329070505 /nfs/dbraw/zinc/07/05/05/329070505.db2.gz DPAJKOSZSMUBRB-NILFDRSVSA-N 0 0 295.810 3.339 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc3c2OCC3)c1 ZINC000527763638 330281538 /nfs/dbraw/zinc/28/15/38/330281538.db2.gz SXJZLYPIJCTOFM-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000527802028 330284260 /nfs/dbraw/zinc/28/42/60/330284260.db2.gz YQAAZRDZFPQGAJ-KGLIPLIRSA-N 0 0 269.772 3.091 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC1(C)C ZINC000472231574 331532404 /nfs/dbraw/zinc/53/24/04/331532404.db2.gz SUTFWDRHHXGCHM-MRXNPFEDSA-N 0 0 299.418 3.427 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccccc1N(C)C ZINC000492465174 332398786 /nfs/dbraw/zinc/39/87/86/332398786.db2.gz WCTAFFVDRBYOTN-MDZDMXLPSA-N 0 0 295.386 3.132 20 10 CGCDRN CN(C(=O)/C=C/c1cccnc1)c1cccc2cccnc21 ZINC000492621543 332406350 /nfs/dbraw/zinc/40/63/50/332406350.db2.gz VLDFMGABMNBFCI-MDZDMXLPSA-N 0 0 289.338 3.306 20 10 CGCDRN CC(C(=O)N(C)Cc1ccccc1O)=C1CCCC1 ZINC000125691584 518500739 /nfs/dbraw/zinc/50/07/39/518500739.db2.gz FOIFHLLKBTXXMJ-UHFFFAOYSA-N 0 0 259.349 3.241 20 10 CGCDRN CC(C)(C)[C@@H](O)COc1ccc(N2CCCC2)cc1 ZINC000290113796 518932803 /nfs/dbraw/zinc/93/28/03/518932803.db2.gz LVKCNNZIHKPTST-HNNXBMFYSA-N 0 0 263.381 3.073 20 10 CGCDRN CC(C)N(Cc1cocn1)Cc1ccc(N(C)C)cc1 ZINC000278010684 519663021 /nfs/dbraw/zinc/66/30/21/519663021.db2.gz LZXPZFAOECNUGW-UHFFFAOYSA-N 0 0 273.380 3.151 20 10 CGCDRN CCC1CCC(N(C)C(=O)Cc2ccc(N)cc2)CC1 ZINC000038059220 519852375 /nfs/dbraw/zinc/85/23/75/519852375.db2.gz VENALVOSVCELTA-UHFFFAOYSA-N 0 0 274.408 3.239 20 10 CGCDRN CCCCC[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122655640 520300698 /nfs/dbraw/zinc/30/06/98/520300698.db2.gz AHZVRHVSEMYWBR-ZDUSSCGKSA-N 0 0 293.407 3.363 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000277519405 520911995 /nfs/dbraw/zinc/91/19/95/520911995.db2.gz YRFKOXLRCFIVFN-OAHLLOKOSA-N 0 0 292.423 3.122 20 10 CGCDRN CCN(Cc1ncccc1C)c1ccc(OC)c(OC)c1 ZINC000271361799 521459460 /nfs/dbraw/zinc/45/94/60/521459460.db2.gz LIEYRVAARJOBGH-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN CCC(O)(CC)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000276426180 521651855 /nfs/dbraw/zinc/65/18/55/521651855.db2.gz RPLOIYJNXKLUGJ-UHFFFAOYSA-N 0 0 271.788 3.076 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)SC ZINC000128701161 521687685 /nfs/dbraw/zinc/68/76/85/521687685.db2.gz VLTZVTVVILDSSQ-GFCCVEGCSA-N 0 0 281.421 3.272 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC1(C)C ZINC000124641009 521689048 /nfs/dbraw/zinc/68/90/48/521689048.db2.gz SQCKWMRCMJKQQM-CYBMUJFWSA-N 0 0 261.365 3.177 20 10 CGCDRN CCSCC[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000074911070 521712289 /nfs/dbraw/zinc/71/22/89/521712289.db2.gz UNMBDXSBNNUXQM-GFCCVEGCSA-N 0 0 296.436 3.065 20 10 CGCDRN CC[C@@H](Nc1ccc(CCO)cc1)c1ccccc1O ZINC000040738028 522956952 /nfs/dbraw/zinc/95/69/52/522956952.db2.gz BCLBHBKTHBMYJM-MRXNPFEDSA-N 0 0 271.360 3.490 20 10 CGCDRN CCc1sc(C(=O)NCCc2ccc(N)cc2)cc1C ZINC000237103146 523072832 /nfs/dbraw/zinc/07/28/32/523072832.db2.gz WSLIGLZFJUVOHC-UHFFFAOYSA-N 0 0 288.416 3.174 20 10 CGCDRN CC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000131997202 523148300 /nfs/dbraw/zinc/14/83/00/523148300.db2.gz DFNUADIOLBISBH-GXTWGEPZSA-N 0 0 276.380 3.112 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(C2CC2)ccn1 ZINC000290216727 523382574 /nfs/dbraw/zinc/38/25/74/523382574.db2.gz XNUGALBKTYRIKV-UHFFFAOYSA-N 0 0 297.358 3.329 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C[C@H]3C=CCC3)ccc21 ZINC000299394372 523860668 /nfs/dbraw/zinc/86/06/68/523860668.db2.gz UPLBVODGTNAMTG-AWEZNQCLSA-N 0 0 284.403 3.042 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(OC)c1 ZINC000104151831 524072352 /nfs/dbraw/zinc/07/23/52/524072352.db2.gz PQXJMLULEJZWIB-UHFFFAOYSA-N 0 0 287.359 3.008 20 10 CGCDRN COc1ccc(N(C)Cc2cn(C(C)C)nn2)cc1Cl ZINC000290485228 524355222 /nfs/dbraw/zinc/35/52/22/524355222.db2.gz VMPGRKNESQRMNR-UHFFFAOYSA-N 0 0 294.786 3.157 20 10 CGCDRN COc1ccc(O)c(CNc2cc(F)c(OC)cc2C)c1 ZINC000187484536 524756151 /nfs/dbraw/zinc/75/61/51/524756151.db2.gz FUEIFLSSONYORJ-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000062746792 525598090 /nfs/dbraw/zinc/59/80/90/525598090.db2.gz KQSRSPLLAXPHIK-WDEREUQCSA-N 0 0 263.312 3.406 20 10 CGCDRN COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747659 526036632 /nfs/dbraw/zinc/03/66/32/526036632.db2.gz WRQVDJLVIHVGRU-LLVKDONJSA-N 0 0 275.323 3.391 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)Cc1ccc(N)cc1)CCC2 ZINC000157718550 526165546 /nfs/dbraw/zinc/16/55/46/526165546.db2.gz ZSQWTWWMYZLUNY-UHFFFAOYSA-N 0 0 280.371 3.099 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000373227805 526325703 /nfs/dbraw/zinc/32/57/03/526325703.db2.gz HPQAHNOWTQTAPH-UHFFFAOYSA-N 0 0 295.810 3.437 20 10 CGCDRN Oc1ccccc1CNc1ncnc2sc3c(c21)CCC3 ZINC000299617591 526374756 /nfs/dbraw/zinc/37/47/56/526374756.db2.gz ZCBVCWCHAADHQU-UHFFFAOYSA-N 0 0 297.383 3.498 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000037813569 527475903 /nfs/dbraw/zinc/47/59/03/527475903.db2.gz KBVPNFOFTBPMGU-OAHLLOKOSA-N 0 0 286.400 3.237 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000036878537 527478176 /nfs/dbraw/zinc/47/81/76/527478176.db2.gz GYOLGQZZXIRNGZ-KRWDZBQOSA-N 0 0 280.371 3.005 20 10 CGCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1cccnc1C ZINC000493298711 535657530 /nfs/dbraw/zinc/65/75/30/535657530.db2.gz ZKKIDRWJCDBAFZ-FPLPWBNLSA-N 0 0 287.388 3.221 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccccc2C)c1 ZINC000728985480 571852393 /nfs/dbraw/zinc/85/23/93/571852393.db2.gz YBCPRFXIQTVOLV-CYBMUJFWSA-N 0 0 299.370 3.129 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccccc21 ZINC000740750948 571875573 /nfs/dbraw/zinc/87/55/73/571875573.db2.gz RCDRMETWCDXBQM-KRWDZBQOSA-N 0 0 295.382 3.471 20 10 CGCDRN CCN1C(=O)/C(=C/c2ccc(F)c(C)c2)SC1=S ZINC000729148723 571879289 /nfs/dbraw/zinc/87/92/89/571879289.db2.gz DHEQTCAAKHPBMT-XFFZJAGNSA-N 0 0 281.377 3.355 20 10 CGCDRN CCc1nnc(CN(CC(C)C)c2ccc(OC)cc2)o1 ZINC000729474599 571920342 /nfs/dbraw/zinc/92/03/42/571920342.db2.gz HGCLLIRXZBTYCC-UHFFFAOYSA-N 0 0 289.379 3.303 20 10 CGCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000731041898 572391309 /nfs/dbraw/zinc/39/13/09/572391309.db2.gz DBWKJMATDLKFOH-CTYIDZIISA-N 0 0 289.423 3.131 20 10 CGCDRN CCN(CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000731149567 572396679 /nfs/dbraw/zinc/39/66/79/572396679.db2.gz SFWHDJAYWDMYSP-UHFFFAOYSA-N 0 0 289.423 3.179 20 10 CGCDRN C[Si](C)(C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731845335 572429334 /nfs/dbraw/zinc/42/93/34/572429334.db2.gz XPKRGFFNHHJBEN-OAHLLOKOSA-N 0 0 293.483 3.251 20 10 CGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(OC)cc1 ZINC000731863810 572430099 /nfs/dbraw/zinc/43/00/99/572430099.db2.gz DJUJWNNGJLUGRW-CYBMUJFWSA-N 0 0 291.372 3.343 20 10 CGCDRN O=C(Nc1cccc(OC(F)F)c1)C1=CC(=O)CS1 ZINC000731872068 572431145 /nfs/dbraw/zinc/43/11/45/572431145.db2.gz VXJVPTQRFSAAMY-UHFFFAOYSA-N 0 0 285.271 3.307 20 10 CGCDRN O=C(OCc1cccc2cccnc21)C1=CC(=O)CS1 ZINC000731910518 572435930 /nfs/dbraw/zinc/43/59/30/572435930.db2.gz SFBKJAMVLGJTQF-UHFFFAOYSA-N 0 0 285.324 3.359 20 10 CGCDRN Cc1cc(C(=O)N2C[C@H](C)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000740838609 572460609 /nfs/dbraw/zinc/46/06/09/572460609.db2.gz CAOSSXLELMTREB-CHWSQXEVSA-N 0 0 297.402 3.360 20 10 CGCDRN O=C(OCCOc1ccccc1Cl)C1=CC(=O)CS1 ZINC000732355195 572461200 /nfs/dbraw/zinc/46/12/00/572461200.db2.gz GVLGXWIQPDJBCJ-UHFFFAOYSA-N 0 0 298.747 3.343 20 10 CGCDRN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccccc1O ZINC000732458300 572468030 /nfs/dbraw/zinc/46/80/30/572468030.db2.gz HZASYPUZNGIVMO-SJCJKPOMSA-N 0 0 296.370 3.125 20 10 CGCDRN Cc1ccc2cccc(C(=O)NCc3ccccc3O)c2n1 ZINC000741279423 572492361 /nfs/dbraw/zinc/49/23/61/572492361.db2.gz SKKDNWBSTKBJJF-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN CCCCOC(=O)[C@@H](C)N(C)c1ccc(OCC)cc1 ZINC000741795134 572530696 /nfs/dbraw/zinc/53/06/96/572530696.db2.gz MUGCRMUSXBBGRA-CYBMUJFWSA-N 0 0 279.380 3.253 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1Cc2ccccc21 ZINC000741931373 572543227 /nfs/dbraw/zinc/54/32/27/572543227.db2.gz FSAPWWIYMVGOJZ-SFHVURJKSA-N 0 0 294.398 3.017 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cccnn1 ZINC000742390584 572574975 /nfs/dbraw/zinc/57/49/75/572574975.db2.gz UHGDKGZBOCJIBD-UHFFFAOYSA-N 0 0 282.391 3.103 20 10 CGCDRN Oc1ccc2c(c1CNc1ncnc3[nH]ccc31)CCCC2 ZINC000742419624 572579449 /nfs/dbraw/zinc/57/94/49/572579449.db2.gz KIEFUQYGBMNMBW-UHFFFAOYSA-N 0 0 294.358 3.154 20 10 CGCDRN CC(C)(C)c1nc(C(=O)NCc2ccccc2O)cs1 ZINC000726622929 572588930 /nfs/dbraw/zinc/58/89/30/572588930.db2.gz RYPYCZBKWHIEPV-UHFFFAOYSA-N 0 0 290.388 3.076 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H](C)C1 ZINC000733646113 572592751 /nfs/dbraw/zinc/59/27/51/572592751.db2.gz PIZMBSUUNADIRE-MBNYWOFBSA-N 0 0 276.380 3.016 20 10 CGCDRN CCN(CCCOC(C)C)c1ccc(OC)c(OC)c1 ZINC000741783199 572620977 /nfs/dbraw/zinc/62/09/77/572620977.db2.gz KKUIRCHNSJCEKD-UHFFFAOYSA-N 0 0 281.396 3.345 20 10 CGCDRN Cn1cccc1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000743060896 572637299 /nfs/dbraw/zinc/63/72/99/572637299.db2.gz BLSZXZWJIXFVKF-UHFFFAOYSA-N 0 0 297.786 3.304 20 10 CGCDRN CN1C(=O)/C(=C/c2cc3cc(F)ccc3o2)SC1=S ZINC000743278964 572646222 /nfs/dbraw/zinc/64/62/22/572646222.db2.gz CDDZWZQSMPCUSF-WDZFZDKYSA-N 0 0 293.344 3.403 20 10 CGCDRN Cn1cccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000743498698 572666695 /nfs/dbraw/zinc/66/66/95/572666695.db2.gz QXPQKOZKXOIZOG-UHFFFAOYSA-N 0 0 285.174 3.327 20 10 CGCDRN Cc1ccc(F)c(NC(=S)NCc2cccc(C)n2)c1 ZINC000743571803 572671570 /nfs/dbraw/zinc/67/15/70/572671570.db2.gz FEOSJPLKOJAWFG-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CCC[C@@]1(C)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000743809810 572684943 /nfs/dbraw/zinc/68/49/43/572684943.db2.gz GYNMEONUZXIIJE-AWEZNQCLSA-N 0 0 267.394 3.496 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccc(C)n1 ZINC000745982671 572847067 /nfs/dbraw/zinc/84/70/67/572847067.db2.gz WZVQCHOTQJHYOU-UHFFFAOYSA-N 0 0 268.360 3.351 20 10 CGCDRN CCCc1nc(CN(CC)c2ccc(OCC)cc2)no1 ZINC000746156219 572857762 /nfs/dbraw/zinc/85/77/62/572857762.db2.gz GAZMFLFPDHJXKH-UHFFFAOYSA-N 0 0 289.379 3.447 20 10 CGCDRN COc1ccc(N(CCn2cccn2)CC(C)C)cc1 ZINC000746170402 572858952 /nfs/dbraw/zinc/85/89/52/572858952.db2.gz RXRYQCRPBVBUGF-UHFFFAOYSA-N 0 0 273.380 3.054 20 10 CGCDRN CN1CCCc2cc(CNC(=O)CCC(C)(F)F)ccc21 ZINC000746811887 572896981 /nfs/dbraw/zinc/89/69/81/572896981.db2.gz SAUCDKYEFHNQSV-UHFFFAOYSA-N 0 0 296.361 3.121 20 10 CGCDRN CCO[C@H](CCNC(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000746893527 572900158 /nfs/dbraw/zinc/90/01/58/572900158.db2.gz CEKNRRYDLDYBLC-CYBMUJFWSA-N 0 0 297.420 3.169 20 10 CGCDRN C/C(=C/C[N@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000825729820 601166488 /nfs/dbraw/zinc/16/64/88/601166488.db2.gz NCGUUXGFJVYNOC-RAXLEYEMSA-N 0 0 289.375 3.168 20 10 CGCDRN C[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccccc1O ZINC000818071710 601761735 /nfs/dbraw/zinc/76/17/35/601761735.db2.gz VTRVYMKDYXCTCL-ZDUSSCGKSA-N 0 0 285.343 3.040 20 10 CGCDRN CC(C)(C)/C=C/C(=O)NCc1cccc(Cl)c1O ZINC000890760263 617817556 /nfs/dbraw/zinc/81/75/56/617817556.db2.gz MOABWIFUWYFAPT-BQYQJAHWSA-N 0 0 267.756 3.264 20 10 CGCDRN CC(C)(C)c1ccc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000890793861 617857567 /nfs/dbraw/zinc/85/75/67/617857567.db2.gz DVUREOBATDSOAV-UHFFFAOYSA-N 0 0 276.361 3.399 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000245689742 618166131 /nfs/dbraw/zinc/16/61/31/618166131.db2.gz AQBPSBYJGNQYFP-ZJUUUORDSA-N 0 0 284.197 3.385 20 10 CGCDRN CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000900378437 620784201 /nfs/dbraw/zinc/78/42/01/620784201.db2.gz RQNGDSRHOKRHGG-UHFFFAOYSA-N 0 0 291.372 3.375 20 10 CGCDRN CN(C)c1ccc(N=Nc2ccccc2C(N)=O)cc1 ZINC000255373731 618242351 /nfs/dbraw/zinc/24/23/51/618242351.db2.gz PPDSQPJRLVZBHO-UHFFFAOYSA-N 0 0 268.320 3.267 20 10 CGCDRN Cc1ccc(C)c(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000255388557 618249280 /nfs/dbraw/zinc/24/92/80/618249280.db2.gz NHNAWXBKQQZFNM-YRNVUSSQSA-N 0 0 263.387 3.134 20 10 CGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 ZINC000255547173 618662312 /nfs/dbraw/zinc/66/23/12/618662312.db2.gz UVJHECKMCGKMIO-NTMALXAHSA-N 0 0 272.735 3.411 20 10 CGCDRN COc1ccc(CNc2cc(C)cc(F)c2)c(O)c1OC ZINC000892325694 618686676 /nfs/dbraw/zinc/68/66/76/618686676.db2.gz LWMGMPZBTUPFFD-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000184952039 625284720 /nfs/dbraw/zinc/28/47/20/625284720.db2.gz VUVWHVOXHYQMFT-CYBMUJFWSA-N 0 0 288.366 3.318 20 10 CGCDRN C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000184992754 625289329 /nfs/dbraw/zinc/28/93/29/625289329.db2.gz MAHCPNBYSTUZFQ-SECBINFHSA-N 0 0 295.276 3.151 20 10 CGCDRN C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000068007267 618751428 /nfs/dbraw/zinc/75/14/28/618751428.db2.gz ZCWQGNCZKNNEBH-ZDUSSCGKSA-N 0 0 274.408 3.147 20 10 CGCDRN CCN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC000179406160 618780802 /nfs/dbraw/zinc/78/08/02/618780802.db2.gz BHKNRWUAUAZZBU-UHFFFAOYSA-N 0 0 285.343 3.069 20 10 CGCDRN O=C(NCC[C@H]1CCC(F)(F)C1)NCc1ccccc1O ZINC000892527064 618847156 /nfs/dbraw/zinc/84/71/56/618847156.db2.gz HDFJHZAEBXIFJX-LLVKDONJSA-N 0 0 298.333 3.017 20 10 CGCDRN Cc1ccc(C#N)c(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000161540986 618872757 /nfs/dbraw/zinc/87/27/57/618872757.db2.gz NFYIDDFRIVYNPP-UHFFFAOYSA-N 0 0 290.370 3.250 20 10 CGCDRN CC(C)(C)CCc1noc(Cc2ccc(N)cc2)n1 ZINC000311275216 618900312 /nfs/dbraw/zinc/90/03/12/618900312.db2.gz FFSLKRIKBPNKMK-UHFFFAOYSA-N 0 0 259.353 3.221 20 10 CGCDRN C[C@@H](NCc1nnc(C2CC2)s1)c1cc(F)ccc1O ZINC000840889106 618907709 /nfs/dbraw/zinc/90/77/09/618907709.db2.gz BQTOTTBZQGGOBR-MRVPVSSYSA-N 0 0 293.367 3.111 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC2(C)CC2)c1 ZINC000309931795 619039188 /nfs/dbraw/zinc/03/91/88/619039188.db2.gz YHGRHHNPQOFDNY-UHFFFAOYSA-N 0 0 284.197 3.353 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCCF)c1 ZINC000309928090 619061458 /nfs/dbraw/zinc/06/14/58/619061458.db2.gz WIRASWMTYLGTGR-UHFFFAOYSA-N 0 0 290.176 3.302 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)[C@H](C)c1ccccc1 ZINC000185789673 619065248 /nfs/dbraw/zinc/06/52/48/619065248.db2.gz FIUVVVBEPHDBLC-NWDGAFQWSA-N 0 0 285.343 3.020 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccn(CC)n2)cc1 ZINC000312421045 619074413 /nfs/dbraw/zinc/07/44/13/619074413.db2.gz OXGOWPSNCXRTHP-UHFFFAOYSA-N 0 0 272.396 3.361 20 10 CGCDRN CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775634248 619082211 /nfs/dbraw/zinc/08/22/11/619082211.db2.gz QDTAJUSEMBZZKL-GFCCVEGCSA-N 0 0 287.762 3.186 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc3ccn(C)c32)c(O)c1O ZINC000188134068 619083076 /nfs/dbraw/zinc/08/30/76/619083076.db2.gz KNLWIFIETVWXDI-UHFFFAOYSA-N 0 0 296.326 3.150 20 10 CGCDRN CC(C)=CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000190655626 619101683 /nfs/dbraw/zinc/10/16/83/619101683.db2.gz FXJZQLOIECXTEU-UHFFFAOYSA-N 0 0 288.391 3.036 20 10 CGCDRN CC(C)CCC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193133705 619126350 /nfs/dbraw/zinc/12/63/50/619126350.db2.gz WANDCBPFVITUOO-UHFFFAOYSA-N 0 0 291.391 3.386 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cnn(C(C)C)c1 ZINC000840937768 619228044 /nfs/dbraw/zinc/22/80/44/619228044.db2.gz XNVAUPJBKZBHPG-UHFFFAOYSA-N 0 0 272.396 3.451 20 10 CGCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)C1CCC1 ZINC000893846659 619322638 /nfs/dbraw/zinc/32/26/38/619322638.db2.gz OJWQRKZDIXYGMK-VIFPVBQESA-N 0 0 282.771 3.033 20 10 CGCDRN COc1cc(C)cc(CNc2ccc(C)nc2)c1O ZINC000894345636 619498927 /nfs/dbraw/zinc/49/89/27/619498927.db2.gz KWAVTIJIEYANIC-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)NCc1ccccc1F ZINC000048875922 619648799 /nfs/dbraw/zinc/64/87/99/619648799.db2.gz BIFOQUMULCKWPN-SECBINFHSA-N 0 0 296.392 3.079 20 10 CGCDRN CCc1nc(C)c(CN(C)c2ccc(OC)c(OC)c2)o1 ZINC000794290745 619741241 /nfs/dbraw/zinc/74/12/41/619741241.db2.gz OYENPJGMINQQCB-UHFFFAOYSA-N 0 0 290.363 3.199 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)N(C)C(C)C)cc1 ZINC000788014462 619798837 /nfs/dbraw/zinc/79/88/37/619798837.db2.gz CHXAXTLHPDLPON-UHFFFAOYSA-N 0 0 291.439 3.425 20 10 CGCDRN Oc1c(CN2CC[C@@H]2C(F)F)ccc2ccccc21 ZINC000895432009 619825605 /nfs/dbraw/zinc/82/56/05/619825605.db2.gz SHXKMYWUNKCHHK-CYBMUJFWSA-N 0 0 263.287 3.385 20 10 CGCDRN C[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895452664 619832250 /nfs/dbraw/zinc/83/22/50/619832250.db2.gz ZGYMKNJZBQOSHU-SECBINFHSA-N 0 0 291.372 3.185 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C=CCC1 ZINC000895526502 619841337 /nfs/dbraw/zinc/84/13/37/619841337.db2.gz CYCZFGFVORAPLM-SECBINFHSA-N 0 0 255.720 3.241 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895616752 619859567 /nfs/dbraw/zinc/85/95/67/619859567.db2.gz XCRWJVFECQSRBM-UHFFFAOYSA-N 0 0 295.810 3.294 20 10 CGCDRN CC(C)c1cc(NCc2c(O)cccc2F)ncn1 ZINC000895832811 619894540 /nfs/dbraw/zinc/89/45/40/619894540.db2.gz NAYITFCFXLYATA-UHFFFAOYSA-N 0 0 261.300 3.057 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000896598736 620035154 /nfs/dbraw/zinc/03/51/54/620035154.db2.gz KZCOPIAJVWELLE-CYBMUJFWSA-N 0 0 289.766 3.077 20 10 CGCDRN C[C@H](CCc1ccco1)[NH2+]Cc1c([O-])cccc1F ZINC000896637668 620041549 /nfs/dbraw/zinc/04/15/49/620041549.db2.gz PYAVDCDTVIHVHT-LLVKDONJSA-N 0 0 263.312 3.235 20 10 CGCDRN CC[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896945427 620110270 /nfs/dbraw/zinc/11/02/70/620110270.db2.gz XAXHYHSPMODEJB-VIFPVBQESA-N 0 0 291.372 3.185 20 10 CGCDRN CCc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)o1 ZINC000155200960 620193640 /nfs/dbraw/zinc/19/36/40/620193640.db2.gz WFRPXMMVMHYYRL-JLHYYAGUSA-N 0 0 290.388 3.298 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000840994507 620290517 /nfs/dbraw/zinc/29/05/17/620290517.db2.gz AMWUJRGSSRFNFV-UHFFFAOYSA-N 0 0 298.386 3.049 20 10 CGCDRN C/C(=C/Cl)CSc1ncc([N+](=O)[O-])s1 ZINC000799961698 620315885 /nfs/dbraw/zinc/31/58/85/620315885.db2.gz ABEDAWILRLEHQS-DJWKRKHSSA-N 0 0 250.732 3.286 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cncs1 ZINC000897932168 620448552 /nfs/dbraw/zinc/44/85/52/620448552.db2.gz ITRJSRBQEJYWIE-ZETCQYMHSA-N 0 0 286.759 3.492 20 10 CGCDRN CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c(O)c1 ZINC000897952695 620453817 /nfs/dbraw/zinc/45/38/17/620453817.db2.gz IWCLGMBJCBXYHJ-NILFDRSVSA-N 0 0 261.365 3.069 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000898216506 620488630 /nfs/dbraw/zinc/48/86/30/620488630.db2.gz XVXRSFMAYVNJHF-UHFFFAOYSA-N 0 0 275.726 3.223 20 10 CGCDRN [O-]c1c(C[NH2+][C@H](c2ccncc2)C2CC2)ccc(F)c1F ZINC000898317296 620511689 /nfs/dbraw/zinc/51/16/89/620511689.db2.gz HPGDOBPUVMJBRW-HNNXBMFYSA-N 0 0 290.313 3.306 20 10 CGCDRN CCNc1ccc(C)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000899174379 620624356 /nfs/dbraw/zinc/62/43/56/620624356.db2.gz WGDUUYWGHSEXGM-UHFFFAOYSA-N 0 0 296.370 3.288 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CCc1ccco1 ZINC000042411923 620835247 /nfs/dbraw/zinc/83/52/47/620835247.db2.gz MVRZZTYIHBEUQC-UHFFFAOYSA-N 0 0 296.164 3.080 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CC1CCC1 ZINC000042411890 620837445 /nfs/dbraw/zinc/83/74/45/620837445.db2.gz KYLWKJATGSBJLA-UHFFFAOYSA-N 0 0 270.170 3.044 20 10 CGCDRN CCc1ncc(COc2ccc(N3CCCC3)cc2)o1 ZINC000902716514 621406559 /nfs/dbraw/zinc/40/65/59/621406559.db2.gz GONAMFRXUJKKFB-UHFFFAOYSA-N 0 0 272.348 3.416 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903261456 621647969 /nfs/dbraw/zinc/64/79/69/621647969.db2.gz WSUSRKKJSZVJFP-FMKPAKJESA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903316769 621687411 /nfs/dbraw/zinc/68/74/11/621687411.db2.gz HKUGTNOTMIRPFQ-IUCAKERBSA-N 0 0 289.206 3.054 20 10 CGCDRN CC1(C)C[C@@H](NC(=O)Nc2ccc(N)cc2)CCS1 ZINC000904500627 621927811 /nfs/dbraw/zinc/92/78/11/621927811.db2.gz NEJMJBHNQPODOJ-LBPRGKRZSA-N 0 0 279.409 3.065 20 10 CGCDRN CC(C)CC[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000042999506 622026040 /nfs/dbraw/zinc/02/60/40/622026040.db2.gz MEAQNJOCYKEMIZ-ZDUSSCGKSA-N 0 0 278.396 3.358 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(C3CCCC3)o2)c1 ZINC000905425310 622073862 /nfs/dbraw/zinc/07/38/62/622073862.db2.gz UKPDSECUXUZZFW-UHFFFAOYSA-N 0 0 273.336 3.353 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)OCCC(F)(F)F ZINC000908329617 622345050 /nfs/dbraw/zinc/34/50/50/622345050.db2.gz SWLSRGABJQTQGD-UHFFFAOYSA-N 0 0 297.660 3.224 20 10 CGCDRN CC(C)(C(=O)NCc1ccc(O)cc1O)C1CCCCC1 ZINC000910950288 622510264 /nfs/dbraw/zinc/51/02/64/622510264.db2.gz VPDYQPVOVRTRKE-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN C/C=C/C=C/C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000055091609 622810334 /nfs/dbraw/zinc/81/03/34/622810334.db2.gz XYYSVEZOYBANND-NUXDXBQRSA-N 0 0 272.392 3.281 20 10 CGCDRN Cc1c(Cl)cnn1CN(C)Cc1ccc(N(C)C)cc1 ZINC000156473076 622822665 /nfs/dbraw/zinc/82/26/65/622822665.db2.gz XCXFGIRXVYYWNZ-UHFFFAOYSA-N 0 0 292.814 3.000 20 10 CGCDRN CCOc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000056878556 622863941 /nfs/dbraw/zinc/86/39/41/622863941.db2.gz FYBPOBRHQVYVTA-UHFFFAOYSA-N 0 0 285.343 3.063 20 10 CGCDRN COc1ccc(NCc2cc(F)ccc2O)c(OC)c1 ZINC000226580347 622984577 /nfs/dbraw/zinc/98/45/77/622984577.db2.gz CCZOYIHZEKFBLN-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230152124 623214153 /nfs/dbraw/zinc/21/41/53/623214153.db2.gz LQKCFPLJOLGGNV-OQPBUACISA-N 0 0 290.190 3.356 20 10 CGCDRN C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817977876 625630813 /nfs/dbraw/zinc/63/08/13/625630813.db2.gz QXHHCQXFSOESFY-PRJMDXOYSA-N 0 0 277.195 3.085 20 10 CGCDRN CC(C)[C@H](C)C(=O)NCCCSc1nccs1 ZINC000172197542 623232856 /nfs/dbraw/zinc/23/28/56/623232856.db2.gz CCOVSKYXHPUGDW-JTQLQIEISA-N 0 0 272.439 3.034 20 10 CGCDRN CSCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172508361 623252417 /nfs/dbraw/zinc/25/24/17/623252417.db2.gz RLIOVEGWNLOBOO-UHFFFAOYSA-N 0 0 292.448 3.046 20 10 CGCDRN Cc1cnc(CNCc2c(O)cccc2Cl)s1 ZINC000230686851 623264854 /nfs/dbraw/zinc/26/48/54/623264854.db2.gz JRESBYIQJMDQJM-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000062748432 623268448 /nfs/dbraw/zinc/26/84/48/623268448.db2.gz PBNNUDWUYDSLFC-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN Cn1cccc1/C=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000915841484 624040954 /nfs/dbraw/zinc/04/09/54/624040954.db2.gz RELDHLOVMDUKIN-XYOKQWHBSA-N 0 0 258.708 3.171 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(O)c1C ZINC000916746025 624212007 /nfs/dbraw/zinc/21/20/07/624212007.db2.gz OXIFXDYXJYFKNF-UHFFFAOYSA-N 0 0 298.386 3.005 20 10 CGCDRN CCc1ccc(N(CC)C(=O)/C=C\c2cnccn2)cc1 ZINC000918155716 624338547 /nfs/dbraw/zinc/33/85/47/624338547.db2.gz MEQKLJGMIZKIGM-YFHOEESVSA-N 0 0 281.359 3.105 20 10 CGCDRN CON(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000920442560 624494562 /nfs/dbraw/zinc/49/45/62/624494562.db2.gz KELWVQOSMDUBLD-UHFFFAOYSA-N 0 0 292.766 3.381 20 10 CGCDRN CN(C)c1ccc(CNCc2nc(C(C)(C)C)co2)cc1 ZINC000921496458 624598576 /nfs/dbraw/zinc/59/85/76/624598576.db2.gz UUTXDPITUWHYIY-UHFFFAOYSA-N 0 0 287.407 3.328 20 10 CGCDRN Cc1ccc(-n2cccn2)cc1NCc1ccccc1O ZINC000188937339 624718124 /nfs/dbraw/zinc/71/81/24/624718124.db2.gz PFGGCFHZCJSVAY-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN Cc1cccc(CN2CCOc3ccccc32)c1O ZINC000182120760 624945283 /nfs/dbraw/zinc/94/52/83/624945283.db2.gz AAESGWXHYPMINV-UHFFFAOYSA-N 0 0 255.317 3.100 20 10 CGCDRN CCOCC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000186290368 625780822 /nfs/dbraw/zinc/78/08/22/625780822.db2.gz OGWABMLNFBSTNR-UHFFFAOYSA-N 0 0 273.423 3.138 20 10 CGCDRN Cc1cnc(CNCc2ccc3c(c2)CCCO3)s1 ZINC000921789432 625875071 /nfs/dbraw/zinc/87/50/71/625875071.db2.gz WDFPCZIPAFZHCM-UHFFFAOYSA-N 0 0 274.389 3.066 20 10 CGCDRN c1cnc([C@@H](NCc2ccc3c(c2)CCCO3)C2CC2)nc1 ZINC000922576496 626014321 /nfs/dbraw/zinc/01/43/21/626014321.db2.gz BMWRPGGMCYXMRT-KRWDZBQOSA-N 0 0 295.386 3.043 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000074788787 626126889 /nfs/dbraw/zinc/12/68/89/626126889.db2.gz VXCUDGMQIBTEFW-NEPJUHHUSA-N 0 0 294.395 3.025 20 10 CGCDRN COc1cccc(SCC(=O)c2ccc(O)c(O)c2)c1 ZINC000035230679 626159774 /nfs/dbraw/zinc/15/97/74/626159774.db2.gz AUMUGIIRICZCIM-UHFFFAOYSA-N 0 0 290.340 3.081 20 10 CGCDRN Cc1ccc2nc(CN(C)c3ccc4c(c3)OCO4)cn2c1 ZINC000121357442 626305407 /nfs/dbraw/zinc/30/54/07/626305407.db2.gz DWCWJGLDVRXKFS-UHFFFAOYSA-N 0 0 295.342 3.008 20 10 CGCDRN CC[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751305891 626384365 /nfs/dbraw/zinc/38/43/65/626384365.db2.gz MPHAEYRGWFXJCS-GFCCVEGCSA-N 0 0 294.358 3.381 20 10 CGCDRN COC(=O)c1ccc(/C=C\c2ccc3c(c2)CCN3C)nc1 ZINC000751533558 626394945 /nfs/dbraw/zinc/39/49/45/626394945.db2.gz FADVWZXSZGSBST-UTCJRWHESA-N 0 0 294.354 3.031 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC2(C)C)cc1F ZINC000751941857 626412688 /nfs/dbraw/zinc/41/26/88/626412688.db2.gz YEZRXJODHHSHLZ-ZDUSSCGKSA-N 0 0 292.398 3.334 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(F)c2)c(OC)c1 ZINC000752115787 626419382 /nfs/dbraw/zinc/41/93/82/626419382.db2.gz PNDNHKYUXGWBFN-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncccc2F)cc1C ZINC000752766499 626438329 /nfs/dbraw/zinc/43/83/29/626438329.db2.gz MMHBSUVLDNECSM-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CN(C)c1ccc(CN(c2ncccc2F)C2CC2)cc1 ZINC000753116074 626445967 /nfs/dbraw/zinc/44/59/67/626445967.db2.gz CIVFHTWXFQACLD-UHFFFAOYSA-N 0 0 285.366 3.456 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC(F)(F)C1 ZINC000753595239 626457576 /nfs/dbraw/zinc/45/75/76/626457576.db2.gz HWSYAOMLAVYRTA-UHFFFAOYSA-N 0 0 296.361 3.146 20 10 CGCDRN Cc1cccc(CC2CN(C(=O)C3=CC(=O)CS3)C2)c1 ZINC000754466891 626572785 /nfs/dbraw/zinc/57/27/85/626572785.db2.gz AQGYCVZQNHACDJ-UHFFFAOYSA-N 0 0 287.384 3.077 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000756342182 626693732 /nfs/dbraw/zinc/69/37/32/626693732.db2.gz OUFNZBRTVOGPHX-TYNCELHUSA-N 0 0 291.391 3.408 20 10 CGCDRN COC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756342112 626693876 /nfs/dbraw/zinc/69/38/76/626693876.db2.gz MZKOYTBIUXTUKZ-SFYZADRCSA-N 0 0 278.179 3.385 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCCCC2)c1 ZINC000756354415 626695064 /nfs/dbraw/zinc/69/50/64/626695064.db2.gz BCZRFNBMHKWYCT-NSHDSACASA-N 0 0 277.364 3.162 20 10 CGCDRN C[C@@H]([NH2+]C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756356050 626695740 /nfs/dbraw/zinc/69/57/40/626695740.db2.gz YZIWBRJRRFUHDT-SNVBAGLBSA-N 0 0 264.325 3.284 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756378540 626698804 /nfs/dbraw/zinc/69/88/04/626698804.db2.gz GJHPENPVLHISRT-MNOVXSKESA-N 0 0 290.319 3.175 20 10 CGCDRN C[C@H]([NH2+]Cc1ccsc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756409843 626702636 /nfs/dbraw/zinc/70/26/36/626702636.db2.gz AJTVZJMEQIQPEH-VIFPVBQESA-N 0 0 278.333 3.213 20 10 CGCDRN C[C@H]1C[C@@H](NCc2cscn2)c2c1c(F)ccc2O ZINC000756511700 626711296 /nfs/dbraw/zinc/71/12/96/626711296.db2.gz ZXWZIFUTDWPXJB-GZMMTYOYSA-N 0 0 278.352 3.326 20 10 CGCDRN CSCC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756586941 626718530 /nfs/dbraw/zinc/71/85/30/626718530.db2.gz XADXZIAZASHPLX-RKDXNWHRSA-N 0 0 275.364 3.463 20 10 CGCDRN CSCC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756586939 626718628 /nfs/dbraw/zinc/71/86/28/626718628.db2.gz XADXZIAZASHPLX-DTWKUNHWSA-N 0 0 275.364 3.463 20 10 CGCDRN CC(C)[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592938 626719389 /nfs/dbraw/zinc/71/93/89/626719389.db2.gz KCXJCQRWMOTPJD-WDEREUQCSA-N 0 0 266.341 3.243 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cc(F)cc(F)c1[O-] ZINC000756611377 626720764 /nfs/dbraw/zinc/72/07/64/626720764.db2.gz VRTHEHHFYKKZLQ-SAQUARJESA-N 0 0 297.345 3.135 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCSC1)c1cc(F)cc(F)c1[O-] ZINC000756636549 626722670 /nfs/dbraw/zinc/72/26/70/626722670.db2.gz FCSKCZXYTRNMOW-WCBMZHEXSA-N 0 0 273.348 3.217 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(F)cc(F)c1[O-] ZINC000756636544 626722747 /nfs/dbraw/zinc/72/27/47/626722747.db2.gz FCSKCZXYTRNMOW-PSASIEDQSA-N 0 0 273.348 3.217 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000756642652 626724152 /nfs/dbraw/zinc/72/41/52/626724152.db2.gz PNZJVNKMVHTAQP-ABAIWWIYSA-N 0 0 291.391 3.408 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000756658300 626725121 /nfs/dbraw/zinc/72/51/21/626725121.db2.gz ISWVRTRTJAAYRU-GXFFZTMASA-N 0 0 297.370 3.302 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C)CCCC2)c1 ZINC000756709614 626727298 /nfs/dbraw/zinc/72/72/98/626727298.db2.gz XGPMWLPIFGFBDP-LBPRGKRZSA-N 0 0 291.391 3.410 20 10 CGCDRN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756732123 626728381 /nfs/dbraw/zinc/72/83/81/626728381.db2.gz HKSFMSQKTQHEAT-UWVGGRQHSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc(F)cc(F)c1[O-] ZINC000756733570 626728649 /nfs/dbraw/zinc/72/86/49/626728649.db2.gz QEHIIQNSQNUSJO-GXSJLCMTSA-N 0 0 253.292 3.430 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC2CC2)c1 ZINC000756734639 626728919 /nfs/dbraw/zinc/72/89/19/626728919.db2.gz ZFJONXSCGDLYGM-NSHDSACASA-N 0 0 277.364 3.020 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000756766723 626730062 /nfs/dbraw/zinc/73/00/62/626730062.db2.gz BPFHAPFLYHYVQN-VXGBXAGGSA-N 0 0 279.380 3.264 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000756778920 626731257 /nfs/dbraw/zinc/73/12/57/626731257.db2.gz GRAKZABBUSZUKJ-AAEUAGOBSA-N 0 0 291.391 3.408 20 10 CGCDRN COc1ccc(N(C)CCCOC(C)(C)C)cc1OC ZINC000756812404 626734407 /nfs/dbraw/zinc/73/44/07/626734407.db2.gz IWMAHOUKHARPEF-UHFFFAOYSA-N 0 0 281.396 3.345 20 10 CGCDRN CCOc1ccc(C[NH2+]CC23CCC(CC2)C3)c(O)c1 ZINC000756990891 626745500 /nfs/dbraw/zinc/74/55/00/626745500.db2.gz UUUWKKVMNVXUFX-UHFFFAOYSA-N 0 0 275.392 3.461 20 10 CGCDRN CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103514180 626764450 /nfs/dbraw/zinc/76/44/50/626764450.db2.gz ZRJGDZYTBQZKFE-SRVKXCTJSA-N 0 0 294.395 3.196 20 10 CGCDRN CC[C@H](C)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000757765576 626807035 /nfs/dbraw/zinc/80/70/35/626807035.db2.gz IFICESGFVIFHRF-DVBBHNHCSA-N 0 0 292.335 3.016 20 10 CGCDRN CC1(C)CCC(CNC(=O)NCc2ccccc2O)CC1 ZINC000758985507 626869202 /nfs/dbraw/zinc/86/92/02/626869202.db2.gz WLXDUJIBJIAHNB-UHFFFAOYSA-N 0 0 290.407 3.408 20 10 CGCDRN CC(C)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC000874263306 634530819 /nfs/dbraw/zinc/53/08/19/634530819.db2.gz ZXPFJVCLPWHPDZ-UHFFFAOYSA-N 0 0 290.367 3.356 20 10 CGCDRN CC[C@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000759589522 626908107 /nfs/dbraw/zinc/90/81/07/626908107.db2.gz AGMWFOOWVSDXME-NSHDSACASA-N 0 0 299.465 3.209 20 10 CGCDRN CC(=O)c1ccc(NC(=O)NCc2ccccc2O)cc1C ZINC000760099089 626940116 /nfs/dbraw/zinc/94/01/16/626940116.db2.gz AOPQNKFRRKBYSJ-UHFFFAOYSA-N 0 0 298.342 3.225 20 10 CGCDRN COc1ccc(N(Cc2ncc(C)cn2)C(C)C)cc1F ZINC000760857376 626997310 /nfs/dbraw/zinc/99/73/10/626997310.db2.gz OKUAFPIPCBQDEV-UHFFFAOYSA-N 0 0 289.354 3.348 20 10 CGCDRN COc1ccc(N(C)Cc2cccnc2C)cc1OC ZINC000761222984 627026084 /nfs/dbraw/zinc/02/60/84/627026084.db2.gz VUAYIPSIKIMHKV-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(F)=C2CCCC2)c1 ZINC000761980275 627077399 /nfs/dbraw/zinc/07/73/99/627077399.db2.gz AAOLBONZJMIVCF-JTQLQIEISA-N 0 0 293.338 3.376 20 10 CGCDRN Fc1cc(-c2nc(-c3ncc[nH]3)no2)ccc1-n1cccc1 ZINC000762123430 627092175 /nfs/dbraw/zinc/09/21/75/627092175.db2.gz QUIHCLMEKBSXHT-UHFFFAOYSA-N 0 0 295.277 3.057 20 10 CGCDRN Cc1ccc(CC(=O)NCc2ccccc2O)c(Cl)c1 ZINC000762531535 627114632 /nfs/dbraw/zinc/11/46/32/627114632.db2.gz XZYGAAHSEVZBDI-UHFFFAOYSA-N 0 0 289.762 3.213 20 10 CGCDRN C[C@H]([NH2+]C1Cc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000762781933 627123739 /nfs/dbraw/zinc/12/37/39/627123739.db2.gz SYMNWBWIGUOPAY-JTQLQIEISA-N 0 0 289.325 3.488 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C2\CC[C@H](C)C2)c1 ZINC000762804721 627125145 /nfs/dbraw/zinc/12/51/45/627125145.db2.gz IDSQDLBUOFNCMA-VSIAZPJASA-N 0 0 289.375 3.324 20 10 CGCDRN CCC/C(C)=C\C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000762807400 627125228 /nfs/dbraw/zinc/12/52/28/627125228.db2.gz YNQRCUDDMGPTMU-UCQJPZFISA-N 0 0 277.364 3.324 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C=C2CCCC2)c1 ZINC000762806706 627125363 /nfs/dbraw/zinc/12/53/63/627125363.db2.gz UOYMHLSDIBMXJI-NSHDSACASA-N 0 0 275.348 3.078 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)CC(C)C ZINC000765058528 627238867 /nfs/dbraw/zinc/23/88/67/627238867.db2.gz BCWZBVJTZIHFFB-AWEZNQCLSA-N 0 0 276.424 3.359 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cnn(C)c1C ZINC000766270165 627308806 /nfs/dbraw/zinc/30/88/06/627308806.db2.gz QYOSESDETVLBCY-UHFFFAOYSA-N 0 0 285.391 3.080 20 10 CGCDRN C[N@H+](Cc1ccoc1)Cc1cc(Br)ccc1O ZINC000769003296 627515392 /nfs/dbraw/zinc/51/53/92/627515392.db2.gz FIFIWSNDHJKBNX-UHFFFAOYSA-N 0 0 296.164 3.380 20 10 CGCDRN O=C(/C=C\Sc1ccccc1)NCc1ccccc1O ZINC000769362892 627545584 /nfs/dbraw/zinc/54/55/84/627545584.db2.gz MAGWSNLKGLCMOG-KHPPLWFESA-N 0 0 285.368 3.314 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cnn(C)c2C2CC2)c(O)c1 ZINC000769990205 627595995 /nfs/dbraw/zinc/59/59/95/627595995.db2.gz QDBJDYSVNZNXMY-LLVKDONJSA-N 0 0 271.364 3.485 20 10 CGCDRN Oc1ccccc1CNc1nc(C(F)(F)F)cs1 ZINC000770457088 627619829 /nfs/dbraw/zinc/61/98/29/627619829.db2.gz FTBZPIIUXWABGD-UHFFFAOYSA-N 0 0 274.267 3.480 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c(O)c1O ZINC000770502556 627623964 /nfs/dbraw/zinc/62/39/64/627623964.db2.gz NQLITNAVSMCTHL-CHWSQXEVSA-N 0 0 299.370 3.328 20 10 CGCDRN CCC1(CC)[C@H](NC(=O)C2=CC(=O)CS2)[C@@H](C)[C@H]1OC ZINC000771417372 627708246 /nfs/dbraw/zinc/70/82/46/627708246.db2.gz IGTJKURLOYNZCZ-OASPWFOLSA-N 0 0 297.420 3.023 20 10 CGCDRN CCCN(C(=O)/C=C/c1cncc(C)c1)c1cccnc1 ZINC000772165430 627770100 /nfs/dbraw/zinc/77/01/00/627770100.db2.gz ZIHYLZXHMRPWGH-VOTSOKGWSA-N 0 0 281.359 3.241 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000772598955 627805740 /nfs/dbraw/zinc/80/57/40/627805740.db2.gz JYUIXYWWGDBPHL-OKILXGFUSA-N 0 0 294.414 3.281 20 10 CGCDRN CCCCSCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772994432 627838670 /nfs/dbraw/zinc/83/86/70/627838670.db2.gz NALPNPPWPIASKQ-CYBMUJFWSA-N 0 0 294.464 3.463 20 10 CGCDRN CSCCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773007330 627840544 /nfs/dbraw/zinc/84/05/44/627840544.db2.gz GXMRJTAFNJNGMW-LBPRGKRZSA-N 0 0 280.437 3.073 20 10 CGCDRN C/C=C/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014378 627842495 /nfs/dbraw/zinc/84/24/95/627842495.db2.gz IGHDYMPMZWBRKX-IIIFVOEHSA-N 0 0 258.365 3.062 20 10 CGCDRN COc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773019437 627843081 /nfs/dbraw/zinc/84/30/81/627843081.db2.gz XNZGKJJQSLWZMD-CYBMUJFWSA-N 0 0 298.386 3.252 20 10 CGCDRN CC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773612399 627899699 /nfs/dbraw/zinc/89/96/99/627899699.db2.gz MIONRZYRYVBERG-UKRRQHHQSA-N 0 0 289.423 3.398 20 10 CGCDRN C[C@H](CC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773757519 627912018 /nfs/dbraw/zinc/91/20/18/627912018.db2.gz UKHXLUBFUXVWGU-NEPJUHHUSA-N 0 0 293.407 3.217 20 10 CGCDRN CCN(C)c1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000773816835 627916604 /nfs/dbraw/zinc/91/66/04/627916604.db2.gz GMWZTUJCUQVXSE-AWEZNQCLSA-N 0 0 269.392 3.389 20 10 CGCDRN CCCC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000774483498 627996973 /nfs/dbraw/zinc/99/69/73/627996973.db2.gz OSQRFGLAARRZOJ-CJNGLKHVSA-N 0 0 292.423 3.135 20 10 CGCDRN CCCC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC ZINC000774483510 627997380 /nfs/dbraw/zinc/99/73/80/627997380.db2.gz OSQRFGLAARRZOJ-XJKSGUPXSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000775379391 628087252 /nfs/dbraw/zinc/08/72/52/628087252.db2.gz CVXMKCSHGUUIDV-HNNXBMFYSA-N 0 0 298.434 3.261 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1nc2c(s1)CCC2 ZINC000775628876 628115769 /nfs/dbraw/zinc/11/57/69/628115769.db2.gz AUYRQRAGTRTCCC-UHFFFAOYSA-N 0 0 286.400 3.203 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(Cl)s2)c(OC)c1 ZINC000775642924 628118605 /nfs/dbraw/zinc/11/86/05/628118605.db2.gz ZZLOSNVZAMVGKQ-UHFFFAOYSA-N 0 0 298.795 3.450 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCSC1 ZINC000775648701 628118892 /nfs/dbraw/zinc/11/88/92/628118892.db2.gz HTBYACYGZFDCPR-JTQLQIEISA-N 0 0 275.776 3.122 20 10 CGCDRN Cc1ccnc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775730333 628130673 /nfs/dbraw/zinc/13/06/73/628130673.db2.gz KHWQWZSYWYYDHG-ZDUSSCGKSA-N 0 0 298.390 3.339 20 10 CGCDRN CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737918 628131326 /nfs/dbraw/zinc/13/13/26/628131326.db2.gz VKDDILWLNXPYQM-VIFPVBQESA-N 0 0 257.736 3.417 20 10 CGCDRN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776174304 628175662 /nfs/dbraw/zinc/17/56/62/628175662.db2.gz IAYZLVBZKDXWLT-NSHDSACASA-N 0 0 291.778 3.472 20 10 CGCDRN C[C@H](NC(=O)N1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000776246522 628183576 /nfs/dbraw/zinc/18/35/76/628183576.db2.gz ROHMKWUUGDOBGT-AWEZNQCLSA-N 0 0 289.423 3.399 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1Cc2ccccc2C2(CC2)C1 ZINC000776274161 628187607 /nfs/dbraw/zinc/18/76/07/628187607.db2.gz JNIMVDJUPOIHFM-UHFFFAOYSA-N 0 0 285.368 3.141 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000777439771 628270250 /nfs/dbraw/zinc/27/02/50/628270250.db2.gz LXIFWDVASFNWOL-HNNXBMFYSA-N 0 0 295.810 3.437 20 10 CGCDRN CCn1nc(C)c(NCc2cccc(Cl)c2O)c1C ZINC000777500269 628276063 /nfs/dbraw/zinc/27/60/63/628276063.db2.gz FJFWHOYSZSCBPS-UHFFFAOYSA-N 0 0 279.771 3.491 20 10 CGCDRN O=C(OCCCc1cccc(F)c1)C1=CC(=O)CS1 ZINC000778803764 628372434 /nfs/dbraw/zinc/37/24/34/628372434.db2.gz RYGQCKFXPITLRX-UHFFFAOYSA-N 0 0 280.320 3.382 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2sccc2c1 ZINC000778917530 628378185 /nfs/dbraw/zinc/37/81/85/628378185.db2.gz DSPHWRRZDKNNID-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1CCO ZINC000779202606 628394256 /nfs/dbraw/zinc/39/42/56/628394256.db2.gz QGBXFMZUUNJRMQ-LLVKDONJSA-N 0 0 290.190 3.046 20 10 CGCDRN Oc1ccccc1CN1CCN(C2CC2)c2ccccc21 ZINC000779226940 628396006 /nfs/dbraw/zinc/39/60/06/628396006.db2.gz XTKJNOMYEFKMIX-UHFFFAOYSA-N 0 0 280.371 3.381 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1CCCCC1 ZINC000779500612 628415570 /nfs/dbraw/zinc/41/55/70/628415570.db2.gz RMCHUAZJPKJDMU-VQHVLOKHSA-N 0 0 289.375 3.198 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779544217 628416345 /nfs/dbraw/zinc/41/63/45/628416345.db2.gz IYIVTTGZQXOCCR-QPJJXVBHSA-N 0 0 295.338 3.009 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C2CCCC1CCC2 ZINC000779523914 628416495 /nfs/dbraw/zinc/41/64/95/628416495.db2.gz GMXFSZMRCDHMRV-CSKARUKUSA-N 0 0 287.359 3.045 20 10 CGCDRN Cc1ccc2c(c1)CCN2Cc1c[nH]nc1-c1cccnc1 ZINC000780768693 628515742 /nfs/dbraw/zinc/51/57/42/628515742.db2.gz CPUJHYDYSBNQJN-UHFFFAOYSA-N 0 0 290.370 3.343 20 10 CGCDRN CN(Cc1c(O)cccc1Cl)c1ccc2c(c1)OCO2 ZINC000780778692 628516672 /nfs/dbraw/zinc/51/66/72/628516672.db2.gz OKMITJJDDBQDIW-UHFFFAOYSA-N 0 0 291.734 3.411 20 10 CGCDRN CN(Cc1cc(F)c(F)cc1F)c1ccc2c(c1)OCO2 ZINC000780778919 628516717 /nfs/dbraw/zinc/51/67/17/628516717.db2.gz YFFCOSPSYJNKMT-UHFFFAOYSA-N 0 0 295.260 3.469 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000780780319 628516956 /nfs/dbraw/zinc/51/69/56/628516956.db2.gz PZBGBOOIOOLMSE-NXEZZACHSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C1=CC(=O)CS1 ZINC000780813873 628519678 /nfs/dbraw/zinc/51/96/78/628519678.db2.gz NNBBLVDEFVDHOU-JGVFFNPUSA-N 0 0 293.310 3.257 20 10 CGCDRN CCOC(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781961882 628607991 /nfs/dbraw/zinc/60/79/91/628607991.db2.gz YVQVTTRQZTYHII-UHFFFAOYSA-N 0 0 299.370 3.265 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783306730 628701747 /nfs/dbraw/zinc/70/17/47/628701747.db2.gz MAZURNLXUMZCKO-MXWKQRLJSA-N 0 0 264.325 3.140 20 10 CGCDRN CCOC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000783313109 628703212 /nfs/dbraw/zinc/70/32/12/628703212.db2.gz NHDSGGCRCKBARF-SECBINFHSA-N 0 0 273.323 3.136 20 10 CGCDRN Cc1cccc(N(C)Cc2cc3c(cc2O)OCO3)c1C ZINC000783695906 628741063 /nfs/dbraw/zinc/74/10/63/628741063.db2.gz QHEWVVKUAOUKRP-UHFFFAOYSA-N 0 0 285.343 3.374 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1CCCOc2ccccc21 ZINC000784102741 628779431 /nfs/dbraw/zinc/77/94/31/628779431.db2.gz ADDAQNCPGQMIFJ-FPLPWBNLSA-N 0 0 294.354 3.219 20 10 CGCDRN Cc1ccc(O)c(CNc2nc3cc(F)ccc3[nH]2)c1 ZINC000784322880 628805695 /nfs/dbraw/zinc/80/56/95/628805695.db2.gz MVOISPJUULKFJR-UHFFFAOYSA-N 0 0 271.295 3.328 20 10 CGCDRN CSC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000784893097 628839870 /nfs/dbraw/zinc/83/98/70/628839870.db2.gz KKMFBOUTJNUKFA-LBPRGKRZSA-N 0 0 292.448 3.216 20 10 CGCDRN C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000875295634 634688833 /nfs/dbraw/zinc/68/88/33/634688833.db2.gz TXAHVKRGYNWSSD-LLVKDONJSA-N 0 0 276.380 3.100 20 10 CGCDRN C[C@H](Nc1ccc2ccc(=O)n(C)c2c1)c1ccccc1O ZINC000786941510 628971715 /nfs/dbraw/zinc/97/17/15/628971715.db2.gz NZEITORMSSMWKW-LBPRGKRZSA-N 0 0 294.354 3.417 20 10 CGCDRN CCCC(C)(C)CC(=O)NCc1cc(OC)ccc1O ZINC000787449556 629012785 /nfs/dbraw/zinc/01/27/85/629012785.db2.gz MAXJXKSHVIOGQS-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN O=C(NC1CCC2(CC2)CC1)N1Cc2cccc(O)c2C1 ZINC000875535189 634708469 /nfs/dbraw/zinc/70/84/69/634708469.db2.gz URFYTERWHCGEJI-UHFFFAOYSA-N 0 0 286.375 3.140 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)C2CCCCC2)c(OC)c1 ZINC000789350404 629126613 /nfs/dbraw/zinc/12/66/13/629126613.db2.gz DYGCZPWFEAQUIN-MRXNPFEDSA-N 0 0 293.407 3.081 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(F)cc1[O-] ZINC000790499702 629213930 /nfs/dbraw/zinc/21/39/30/629213930.db2.gz ZAXZQQJDDRQJSB-MLGOLLRUSA-N 0 0 294.414 3.302 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1C2CCC1CC2 ZINC000792157479 629341093 /nfs/dbraw/zinc/34/10/93/629341093.db2.gz XSIYSVVYNKDOJJ-UHFFFAOYSA-N 0 0 255.720 3.312 20 10 CGCDRN CCOc1ccc(N(C)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000792231988 629351704 /nfs/dbraw/zinc/35/17/04/629351704.db2.gz SLGOHGZRXPALGC-OAHLLOKOSA-N 0 0 289.375 3.007 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(O)c2ccccc2c1 ZINC000792240386 629351761 /nfs/dbraw/zinc/35/17/61/629351761.db2.gz QXVMKDNPQCAGHC-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN CC[C@@H](C)n1ncc(NC(=O)C2=CC(=O)CS2)c1C ZINC000792515468 629362677 /nfs/dbraw/zinc/36/26/77/629362677.db2.gz IKAWELYQYDCSLA-MRVPVSSYSA-N 0 0 279.365 3.182 20 10 CGCDRN CSc1cc(C)c(C(=O)NCc2cc(C)ccc2O)o1 ZINC000862754509 629428880 /nfs/dbraw/zinc/42/88/80/629428880.db2.gz ZVUDZIXYXFTJCI-UHFFFAOYSA-N 0 0 291.372 3.254 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000862756231 629430043 /nfs/dbraw/zinc/43/00/43/629430043.db2.gz UJEDLFYVPROOKM-CVEARBPZSA-N 0 0 299.345 3.260 20 10 CGCDRN CCc1oc(C(=O)NCc2cc(C)ccc2O)cc1C ZINC000862758043 629431127 /nfs/dbraw/zinc/43/11/27/629431127.db2.gz MUZOYWVHWQRNBL-UHFFFAOYSA-N 0 0 273.332 3.094 20 10 CGCDRN Cc1cccc(NC(=O)NCc2ccc(O)c(O)c2)c1C ZINC000119120073 629440930 /nfs/dbraw/zinc/44/09/30/629440930.db2.gz ASSYZJVACOUHTO-UHFFFAOYSA-N 0 0 286.331 3.036 20 10 CGCDRN CCC(F)(F)C(C)(C)CNC(=O)C1=CC(=O)CS1 ZINC000862944723 629449124 /nfs/dbraw/zinc/44/91/24/629449124.db2.gz YWFISKYYZDOOQW-UHFFFAOYSA-N 0 0 277.336 3.255 20 10 CGCDRN C[C@H]1CC=C(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000836240611 634737859 /nfs/dbraw/zinc/73/78/59/634737859.db2.gz VYRFINRUPKIBKI-ZDUSSCGKSA-N 0 0 272.392 3.115 20 10 CGCDRN CC[C@H]1CCCC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000793689927 629495975 /nfs/dbraw/zinc/49/59/75/629495975.db2.gz QHXIEGZHRSYXTB-SWLSCSKDSA-N 0 0 291.391 3.233 20 10 CGCDRN O=C1[C@@H](Sc2nccs2)CCN1C1CCCCC1 ZINC000863295315 629526120 /nfs/dbraw/zinc/52/61/20/629526120.db2.gz QFNRFWNBHDMPMM-NSHDSACASA-N 0 0 282.434 3.169 20 10 CGCDRN COc1ccc(CNC(=O)c2coc3ccccc23)c(O)c1 ZINC000794373922 629537894 /nfs/dbraw/zinc/53/78/94/629537894.db2.gz OXTIJCPGJQKSSR-UHFFFAOYSA-N 0 0 297.310 3.077 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000794619236 629562386 /nfs/dbraw/zinc/56/23/86/629562386.db2.gz SZGUDJXYYOLDPO-UHFFFAOYSA-N 0 0 274.389 3.053 20 10 CGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000794629867 629562774 /nfs/dbraw/zinc/56/27/74/629562774.db2.gz SZTZORRCXZVDJZ-UHFFFAOYSA-N 0 0 288.416 3.395 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2CC(C)(C)C2)cc1 ZINC000794627830 629562786 /nfs/dbraw/zinc/56/27/86/629562786.db2.gz GBDJENBQHNITOK-UHFFFAOYSA-N 0 0 274.408 3.147 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C2)c1 ZINC000794840289 629586157 /nfs/dbraw/zinc/58/61/57/629586157.db2.gz IBGVOZRTYVDDTE-FRRDWIJNSA-N 0 0 291.391 3.266 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794842946 629587147 /nfs/dbraw/zinc/58/71/47/629587147.db2.gz UIDIHDMCFFTASC-WOPDTQHZSA-N 0 0 278.352 3.387 20 10 CGCDRN CC(C)N(C(=O)CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000863556590 629604768 /nfs/dbraw/zinc/60/47/68/629604768.db2.gz UXLXFGBDPMLZQT-UHFFFAOYSA-N 0 0 297.402 3.147 20 10 CGCDRN CC(C)c1ccc(NC(=O)CN(C)c2ccc(N)cc2)cc1 ZINC000863556573 629604891 /nfs/dbraw/zinc/60/48/91/629604891.db2.gz UONNBEYQNDEGLY-UHFFFAOYSA-N 0 0 297.402 3.467 20 10 CGCDRN COc1ccc(CNc2ncnc3ccc(C)cc32)c(O)c1 ZINC000795285638 629656844 /nfs/dbraw/zinc/65/68/44/629656844.db2.gz TTXCGFNNYNRLEU-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN COc1ccc(CNc2nc(CC(C)C)ns2)c(O)c1 ZINC000795289104 629657034 /nfs/dbraw/zinc/65/70/34/629657034.db2.gz GRARKVRNFWKVHO-UHFFFAOYSA-N 0 0 293.392 3.063 20 10 CGCDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000836406065 634757739 /nfs/dbraw/zinc/75/77/39/634757739.db2.gz PJGUJWKYAUHHCM-MFKMUULPSA-N 0 0 299.365 3.157 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C3CC(C)(C)C3)ccc21 ZINC000795832452 629719555 /nfs/dbraw/zinc/71/95/55/629719555.db2.gz GRSUAAJINUNWAI-UHFFFAOYSA-N 0 0 286.419 3.121 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cccc(-n3nccn3)c2)c(O)c1 ZINC000864022716 629728506 /nfs/dbraw/zinc/72/85/06/629728506.db2.gz MNEOYWPFFNZUGC-CYBMUJFWSA-N 0 0 294.358 3.454 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1occ2c1CCC2 ZINC000796503093 629790709 /nfs/dbraw/zinc/79/07/09/629790709.db2.gz WJNUGOBHWBJDBI-UHFFFAOYSA-N 0 0 298.386 3.073 20 10 CGCDRN CC[C@H]([NH2+]CCCCn1ccnc1)c1ccc(F)cc1[O-] ZINC000796701704 629816678 /nfs/dbraw/zinc/81/66/78/629816678.db2.gz ICFGXDTZPZWOKH-HNNXBMFYSA-N 0 0 291.370 3.249 20 10 CGCDRN CCc1cc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])on1 ZINC000796781083 629832702 /nfs/dbraw/zinc/83/27/02/629832702.db2.gz UZFIDYDOKCZSAO-CQSZACIVSA-N 0 0 278.327 3.323 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796796752 629835893 /nfs/dbraw/zinc/83/58/93/629835893.db2.gz RBSGONUZSZFWHO-XUJVJEKNSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@H]([NH2+]Cc1cncc(C)c1)c1ccc(F)cc1[O-] ZINC000796846829 629847287 /nfs/dbraw/zinc/84/72/87/629847287.db2.gz QWIZTEJKLSPCNV-HNNXBMFYSA-N 0 0 274.339 3.476 20 10 CGCDRN CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796872763 629852696 /nfs/dbraw/zinc/85/26/96/629852696.db2.gz LEHRQWJEAQMXGY-CYBMUJFWSA-N 0 0 269.360 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000796931208 629860854 /nfs/dbraw/zinc/86/08/54/629860854.db2.gz ODDZVTGJFIAXLO-XUJVJEKNSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(F)cc1[O-] ZINC000796945132 629863181 /nfs/dbraw/zinc/86/31/81/629863181.db2.gz MIXAJBXQXMMFER-CQSZACIVSA-N 0 0 281.371 3.125 20 10 CGCDRN C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000797065572 629880355 /nfs/dbraw/zinc/88/03/55/629880355.db2.gz LZVNEQCEAGEVEP-LWINAJNOSA-N 0 0 273.348 3.073 20 10 CGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000836557816 634776495 /nfs/dbraw/zinc/77/64/95/634776495.db2.gz LAGVXQSCZWEEPR-QWHCGFSZSA-N 0 0 276.380 3.018 20 10 CGCDRN Cc1cc[nH]c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000797842893 629991403 /nfs/dbraw/zinc/99/14/03/629991403.db2.gz GTDRFCWQQPBIGD-UHFFFAOYSA-N 0 0 297.402 3.243 20 10 CGCDRN COc1ccc(N(CC[C@H](C)O)Cc2ccccc2)cc1 ZINC000798198263 630034167 /nfs/dbraw/zinc/03/41/67/630034167.db2.gz XVDDCROQRMEJJO-HNNXBMFYSA-N 0 0 285.387 3.473 20 10 CGCDRN COC(=O)[C@@H](Sc1nccs1)c1ccsc1 ZINC000798369227 630048774 /nfs/dbraw/zinc/04/87/74/630048774.db2.gz TWXQDAAXYVKOQW-QMMMGPOBSA-N 0 0 271.388 3.211 20 10 CGCDRN CC[C@@H](C)N(CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000798954965 630128488 /nfs/dbraw/zinc/12/84/88/630128488.db2.gz IJYNHIZEVGBEGI-LLVKDONJSA-N 0 0 299.798 3.128 20 10 CGCDRN O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc(O)c1O ZINC000799069075 630141188 /nfs/dbraw/zinc/14/11/88/630141188.db2.gz UDKDBKNGGYZEFA-UHFFFAOYSA-N 0 0 287.290 3.367 20 10 CGCDRN CN1C(=O)/C(=C\c2cccnc2)c2cc(Cl)ccc21 ZINC000799502081 630193157 /nfs/dbraw/zinc/19/31/57/630193157.db2.gz VDIRGZFFUSRDHA-QPEQYQDCSA-N 0 0 270.719 3.252 20 10 CGCDRN Cc1nc(Sc2ncc([N+](=O)[O-])s2)sc1C ZINC000799940284 630245557 /nfs/dbraw/zinc/24/55/57/630245557.db2.gz UAGDSAAPHFRONM-UHFFFAOYSA-N 0 0 273.364 3.276 20 10 CGCDRN COCC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000800526022 630291232 /nfs/dbraw/zinc/29/12/32/630291232.db2.gz ALEDEHGCDGWQGF-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN CCOc1cccc(CN2CCCC[C@H]2C(F)F)c1O ZINC000800533212 630291883 /nfs/dbraw/zinc/29/18/83/630291883.db2.gz KJIOOBKBRXVCSR-LBPRGKRZSA-N 0 0 285.334 3.411 20 10 CGCDRN Cc1[nH]ccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921173 630297527 /nfs/dbraw/zinc/29/75/27/630297527.db2.gz XJHCQSXQDFUAIZ-ZDUSSCGKSA-N 0 0 299.418 3.059 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(C2CC2)n1 ZINC000836763046 634798128 /nfs/dbraw/zinc/79/81/28/634798128.db2.gz TUNXZKSJZXZCCF-UHFFFAOYSA-N 0 0 296.370 3.245 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000802639355 630400496 /nfs/dbraw/zinc/40/04/96/630400496.db2.gz MFNWEUNMZAETLV-SSDOTTSWSA-N 0 0 253.348 3.006 20 10 CGCDRN CCc1ccccc1OCCC(=O)NCc1ccccc1O ZINC000802777798 630410322 /nfs/dbraw/zinc/41/03/22/630410322.db2.gz ROCWKLIVFAXDIQ-UHFFFAOYSA-N 0 0 299.370 3.040 20 10 CGCDRN CN(C)c1ccc(CNc2ccnc3cc(F)cnc32)cc1 ZINC000804330172 630521043 /nfs/dbraw/zinc/52/10/43/630521043.db2.gz NJNAPVZMHYUZEX-UHFFFAOYSA-N 0 0 296.349 3.447 20 10 CGCDRN Oc1ccc(CCNc2ccnc(C(F)(F)F)c2)cc1O ZINC000804534566 630535380 /nfs/dbraw/zinc/53/53/80/630535380.db2.gz SAOICSCHLNRHKS-UHFFFAOYSA-N 0 0 298.264 3.166 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1cccc(Cl)c1[O-] ZINC000806149880 630549585 /nfs/dbraw/zinc/54/95/85/630549585.db2.gz YHFOLXULRMDEHX-CQSZACIVSA-N 0 0 291.782 3.385 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(Cl)c1[O-] ZINC000806161850 630551758 /nfs/dbraw/zinc/55/17/58/630551758.db2.gz VBOHZPJEFWGVIY-AVGNSLFASA-N 0 0 283.799 3.246 20 10 CGCDRN CC(C)C[C@@H](C)N(C)C(=O)COc1ccc(N(C)C)cc1 ZINC000810000930 630826570 /nfs/dbraw/zinc/82/65/70/630826570.db2.gz ROQQZNRIRCKTCO-CQSZACIVSA-N 0 0 292.423 3.024 20 10 CGCDRN CN(C)c1ccc(OCCc2ccc3c(c2)CCO3)cc1 ZINC000810001329 630826586 /nfs/dbraw/zinc/82/65/86/630826586.db2.gz BJZIHTLDVZHNQQ-UHFFFAOYSA-N 0 0 283.371 3.309 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1n[nH]cc1C ZINC000811508151 631077405 /nfs/dbraw/zinc/07/74/05/631077405.db2.gz CSAULJOMKRTMMF-UHFFFAOYSA-N 0 0 271.364 3.070 20 10 CGCDRN COc1cccc(O)c1CNc1cc(F)c(F)cc1OC ZINC000811512299 631080101 /nfs/dbraw/zinc/08/01/01/631080101.db2.gz KZFHVYDEBGFZIP-UHFFFAOYSA-N 0 0 295.285 3.300 20 10 CGCDRN CCCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000811521080 631083439 /nfs/dbraw/zinc/08/34/39/631083439.db2.gz ZANKMIYDXQTHTJ-NSHDSACASA-N 0 0 296.367 3.320 20 10 CGCDRN Oc1ccc(CCNc2ccnc3ccsc32)cc1O ZINC000811811615 631122301 /nfs/dbraw/zinc/12/23/01/631122301.db2.gz YQKDDCKMNWGMCT-UHFFFAOYSA-N 0 0 286.356 3.362 20 10 CGCDRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)C1=CC(=O)CS1 ZINC000812419551 631254202 /nfs/dbraw/zinc/25/42/02/631254202.db2.gz MYVGYEIHGUTKTI-QWRGUYRKSA-N 0 0 283.393 3.284 20 10 CGCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)C1=CC(=O)CS1 ZINC000812419549 631254617 /nfs/dbraw/zinc/25/46/17/631254617.db2.gz MYVGYEIHGUTKTI-GHMZBOCLSA-N 0 0 283.393 3.284 20 10 CGCDRN COc1cccc(O)c1CNc1ccc2c(C)nn(C)c2c1 ZINC000812774949 631305402 /nfs/dbraw/zinc/30/54/02/631305402.db2.gz ZSKCCXDSKJHMSR-UHFFFAOYSA-N 0 0 297.358 3.208 20 10 CGCDRN Nc1ccc(NC(=O)C2CCc3ccccc3CC2)cc1 ZINC000876504067 634848754 /nfs/dbraw/zinc/84/87/54/634848754.db2.gz ITHXBLHTCPVLNE-UHFFFAOYSA-N 0 0 280.371 3.403 20 10 CGCDRN Cc1ccccc1C[C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000876527518 634850806 /nfs/dbraw/zinc/85/08/06/634850806.db2.gz IHTNHFRZSLBSNK-OAHLLOKOSA-N 0 0 296.414 3.115 20 10 CGCDRN Cc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cn1 ZINC000814185660 631541003 /nfs/dbraw/zinc/54/10/03/631541003.db2.gz MPJPCEQNQLKDKB-KPKJPENVSA-N 0 0 290.413 3.144 20 10 CGCDRN CC(C)(C)C(C)(C)CNC(=O)NCc1ccccc1O ZINC000814419412 631578474 /nfs/dbraw/zinc/57/84/74/631578474.db2.gz ZQTSMSGMOHDBJG-UHFFFAOYSA-N 0 0 278.396 3.264 20 10 CGCDRN Cc1cc(Cn2c3ccccc3sc2=O)ccc1N(C)C ZINC000814751157 631633244 /nfs/dbraw/zinc/63/32/44/631633244.db2.gz GKHYLQOXDYUIPC-UHFFFAOYSA-N 0 0 298.411 3.486 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2sccc2F)cc1F ZINC000815151993 631732057 /nfs/dbraw/zinc/73/20/57/631732057.db2.gz XEPTVRVCQHDEJM-UHFFFAOYSA-N 0 0 296.342 3.022 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815596730 631803243 /nfs/dbraw/zinc/80/32/43/631803243.db2.gz CNDMIUQDECQPPV-VIFPVBQESA-N 0 0 291.313 3.080 20 10 CGCDRN CCC(CC)(CO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816558685 632011262 /nfs/dbraw/zinc/01/12/62/632011262.db2.gz IXLPINDUQHLCRD-UHFFFAOYSA-N 0 0 289.778 3.073 20 10 CGCDRN CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816610110 632022064 /nfs/dbraw/zinc/02/20/64/632022064.db2.gz YEXGUEHNRZNIJX-LBPRGKRZSA-N 0 0 257.736 3.463 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000817415112 632145678 /nfs/dbraw/zinc/14/56/78/632145678.db2.gz OMOMTYZCIMCCGI-VXGBXAGGSA-N 0 0 269.772 3.093 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000817550731 632181808 /nfs/dbraw/zinc/18/18/08/632181808.db2.gz YTYBKDVSBJDFLV-UMSGYPCISA-N 0 0 289.375 3.014 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000817586010 632191887 /nfs/dbraw/zinc/19/18/87/632191887.db2.gz KVJJWQIRWZEOOZ-KGYLQXTDSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1cn(C)nc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817761525 632223431 /nfs/dbraw/zinc/22/34/31/632223431.db2.gz MBCFUDJDOBRWDP-UHFFFAOYSA-N 0 0 297.358 3.056 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CN)CC(C)C)c1cccc(Cl)c1[O-] ZINC000817959140 632255156 /nfs/dbraw/zinc/25/51/56/632255156.db2.gz PTGIKGJOUMINGN-BXUZGUMPSA-N 0 0 284.831 3.460 20 10 CGCDRN C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961488 632257906 /nfs/dbraw/zinc/25/79/06/632257906.db2.gz ZUDNWFIPRMRCLY-CPCISQLKSA-N 0 0 289.206 3.087 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000818358265 632314480 /nfs/dbraw/zinc/31/44/80/632314480.db2.gz DUXAZVAZKCPWLB-CKEKPRIKSA-N 0 0 253.292 3.120 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1c(O)cccc1Cl)C(=O)[O-] ZINC000818629957 632343560 /nfs/dbraw/zinc/34/35/60/632343560.db2.gz IDYFCZBLLMJLGB-UHFFFAOYSA-N 0 0 285.771 3.026 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC000821032738 632715298 /nfs/dbraw/zinc/71/52/98/632715298.db2.gz FXQYHZRUAJBXOR-ZSHCYNCHSA-N 0 0 298.430 3.290 20 10 CGCDRN CCC(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822425459 632924296 /nfs/dbraw/zinc/92/42/96/632924296.db2.gz YQALBOJATUZFRF-UHFFFAOYSA-N 0 0 276.340 3.015 20 10 CGCDRN COc1ccc(N(C)Cc2cncn2C(C)C)cc1F ZINC000822470635 632937320 /nfs/dbraw/zinc/93/73/20/632937320.db2.gz VOWVHXKKLBHQAX-UHFFFAOYSA-N 0 0 277.343 3.248 20 10 CGCDRN Oc1cccc2c1CN(c1nc(C3CCCC3)ns1)C2 ZINC000866117293 633003793 /nfs/dbraw/zinc/00/37/93/633003793.db2.gz KEWRCFPBISUZLQ-UHFFFAOYSA-N 0 0 287.388 3.422 20 10 CGCDRN CCCC[N@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1O ZINC000844323172 635869927 /nfs/dbraw/zinc/86/99/27/635869927.db2.gz MVDNYYNBHCAYJW-UHFFFAOYSA-N 0 0 299.418 3.337 20 10 CGCDRN O=C(C[C@@H]1CC=CCC1)NCc1ccc2cccnc2c1O ZINC000823182379 633070635 /nfs/dbraw/zinc/07/06/35/633070635.db2.gz UHKZLFWNISSWMU-CYBMUJFWSA-N 0 0 296.370 3.303 20 10 CGCDRN CC(C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCC1 ZINC000823365259 633093349 /nfs/dbraw/zinc/09/33/49/633093349.db2.gz KUYYVFPUAKSWTH-UHFFFAOYSA-N 0 0 288.351 3.158 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866411395 633127404 /nfs/dbraw/zinc/12/74/04/633127404.db2.gz KVVPQPGOEPKKNR-IINYFYTJSA-N 0 0 276.336 3.284 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1ccc(F)cc1[O-] ZINC000866452425 633142283 /nfs/dbraw/zinc/14/22/83/633142283.db2.gz GLWXICFHBGIDFF-LERXQTSPSA-N 0 0 281.371 3.122 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000866487716 633156847 /nfs/dbraw/zinc/15/68/47/633156847.db2.gz FZCFREBIVNRQHY-FBIMIBRVSA-N 0 0 255.358 3.076 20 10 CGCDRN CC1(C(=O)NCc2cc(Cl)ccc2O)CC=CC1 ZINC000823986056 633179085 /nfs/dbraw/zinc/17/90/85/633179085.db2.gz FGWKUTNVBLXPOF-UHFFFAOYSA-N 0 0 265.740 3.018 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824654417 633269796 /nfs/dbraw/zinc/26/97/96/633269796.db2.gz NWDZTCLBTHDAOE-LBPRGKRZSA-N 0 0 255.720 3.169 20 10 CGCDRN CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868139798 633298441 /nfs/dbraw/zinc/29/84/41/633298441.db2.gz FNEJIRQPPBXWMD-WOPDTQHZSA-N 0 0 264.369 3.187 20 10 CGCDRN CC(C)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868433952 633323911 /nfs/dbraw/zinc/32/39/11/633323911.db2.gz YUUUSYVNINXARK-NWDGAFQWSA-N 0 0 264.369 3.187 20 10 CGCDRN CC(C)CSCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868442633 633324945 /nfs/dbraw/zinc/32/49/45/633324945.db2.gz KVHHVTYJLPXGAS-GFCCVEGCSA-N 0 0 296.436 3.142 20 10 CGCDRN CO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000825104444 633329316 /nfs/dbraw/zinc/32/93/16/633329316.db2.gz XAGJZQOTXQWFGX-ZIAGYGMSSA-N 0 0 295.810 3.435 20 10 CGCDRN C[C@H](CC(F)(F)F)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868505756 633330993 /nfs/dbraw/zinc/33/09/93/633330993.db2.gz AZISMXLJIPWYCD-BDAKNGLRSA-N 0 0 290.285 3.093 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CCC[C@H]1C)c1ccccc1O ZINC000868578296 633338991 /nfs/dbraw/zinc/33/89/91/633338991.db2.gz ZQKLJGQUIFYTCH-UPJWGTAASA-N 0 0 276.380 3.189 20 10 CGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@@H]1CCCC[C@H]1C ZINC000825613142 633367988 /nfs/dbraw/zinc/36/79/88/633367988.db2.gz FHJFHQKYJUTEQZ-ZYHUDNBSSA-N 0 0 267.394 3.495 20 10 CGCDRN O=C(NCc1ccccc1O)c1cccc2c1CCCC2 ZINC000825659348 633371214 /nfs/dbraw/zinc/37/12/14/633371214.db2.gz ZWDVEMMOALPCKI-UHFFFAOYSA-N 0 0 281.355 3.201 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@]12C[C@H]1CCCC2 ZINC000868934017 633379871 /nfs/dbraw/zinc/37/98/71/633379871.db2.gz QXARPCNRROGUEL-QEORTHHSSA-N 0 0 288.391 3.160 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000825824930 633382879 /nfs/dbraw/zinc/38/28/79/633382879.db2.gz PYHLFQVBIVNYJG-GDBMZVCRSA-N 0 0 295.810 3.497 20 10 CGCDRN Cc1cc(O)c(CN2CCC[C@@H](F)C2)cc1Cl ZINC000826142370 633407438 /nfs/dbraw/zinc/40/74/38/633407438.db2.gz AJBBGXVJGYUFRT-LLVKDONJSA-N 0 0 257.736 3.288 20 10 CGCDRN CC(C)(F)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827190642 633469391 /nfs/dbraw/zinc/46/93/91/633469391.db2.gz XODMDTZMDKRMEE-UHFFFAOYSA-N 0 0 263.715 3.413 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1(F)F ZINC000827251304 633475080 /nfs/dbraw/zinc/47/50/80/633475080.db2.gz GDBVOCKIOPYHFF-NSHDSACASA-N 0 0 279.689 3.320 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1(F)F ZINC000827251302 633475411 /nfs/dbraw/zinc/47/54/11/633475411.db2.gz GDBVOCKIOPYHFF-LLVKDONJSA-N 0 0 279.689 3.320 20 10 CGCDRN CC1(C)OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827706004 633511203 /nfs/dbraw/zinc/51/12/03/633511203.db2.gz KBIRGSHRAPNMLQ-SNVBAGLBSA-N 0 0 287.762 3.089 20 10 CGCDRN CC(C)CCO[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827931125 633535537 /nfs/dbraw/zinc/53/55/37/633535537.db2.gz ZBHNVOSFKJHVDZ-OLZOCXBDSA-N 0 0 279.380 3.021 20 10 CGCDRN C[C@@H](NC(=O)CO[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000827937083 633536667 /nfs/dbraw/zinc/53/66/67/633536667.db2.gz JZBRJLXBTYMSJY-ZENOOKHLSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1ccccc1O ZINC000827937285 633536868 /nfs/dbraw/zinc/53/68/68/633536868.db2.gz QPSFFRDIZSAZFY-NWDGAFQWSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)C1=CC[C@H](C)CC1)c1ccccc1O ZINC000827952171 633538772 /nfs/dbraw/zinc/53/87/72/633538772.db2.gz IRFYOOYMOPDMQD-NWDGAFQWSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1O ZINC000827952075 633538882 /nfs/dbraw/zinc/53/88/82/633538882.db2.gz FSFFYYIGNYDICN-OWTLIXCDSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@@H](NC(=O)C[C@H](C)C(F)(F)F)c1ccccc1O ZINC000827955559 633539650 /nfs/dbraw/zinc/53/96/50/633539650.db2.gz AZZMRCDWXJSDKJ-DTWKUNHWSA-N 0 0 275.270 3.158 20 10 CGCDRN Cc1cccc(COCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827957697 633540678 /nfs/dbraw/zinc/54/06/78/633540678.db2.gz XSRMTQNLHSKWLW-CQSZACIVSA-N 0 0 299.370 3.095 20 10 CGCDRN CCCc1[nH]ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827960628 633541193 /nfs/dbraw/zinc/54/11/93/633541193.db2.gz SQDVLEGERKCHQT-NSHDSACASA-N 0 0 272.348 3.164 20 10 CGCDRN CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000827963884 633541399 /nfs/dbraw/zinc/54/13/99/633541399.db2.gz DFPABZOLRPJACO-BFHYXJOUSA-N 0 0 291.391 3.165 20 10 CGCDRN Cc1scc(CNC(=O)C2=CC(=O)CS2)c1C ZINC000870297404 633555323 /nfs/dbraw/zinc/55/53/23/633555323.db2.gz NNTKFPPWYWTWQP-UHFFFAOYSA-N 0 0 267.375 3.062 20 10 CGCDRN CC(C)[C@H]1C[C@@H](C(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000828535291 633626040 /nfs/dbraw/zinc/62/60/40/633626040.db2.gz QXNWMZQTJSNINR-DVOMOZLQSA-N 0 0 291.391 3.021 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C[C@H]1C)c1ccccc1O ZINC000828539940 633626554 /nfs/dbraw/zinc/62/65/54/633626554.db2.gz WXDOBLHLHGWFTI-HVNMYJMUSA-N 0 0 273.376 3.252 20 10 CGCDRN O=C1NC(=S)S/C1=C\c1cc2ccccc2s1 ZINC000123331153 633661419 /nfs/dbraw/zinc/66/14/19/633661419.db2.gz DQDRSFAKXJHWFU-POHAHGRESA-N 0 0 277.395 3.390 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1ccc(N(C)C)cc1 ZINC000828861132 633662757 /nfs/dbraw/zinc/66/27/57/633662757.db2.gz LWWBCXFOUSMISK-NZUILWFCSA-N 0 0 286.419 3.366 20 10 CGCDRN Nc1ccc(NC(=O)c2conc2C2CCCC2)cc1 ZINC000870933578 633670117 /nfs/dbraw/zinc/67/01/17/633670117.db2.gz QGKZPUQJJKRJFF-UHFFFAOYSA-N 0 0 271.320 3.167 20 10 CGCDRN CCS(=O)(=O)c1ccc(CSc2nccs2)cc1 ZINC000829099894 633692432 /nfs/dbraw/zinc/69/24/32/633692432.db2.gz BLGSSSNHFMRERR-UHFFFAOYSA-N 0 0 299.442 3.229 20 10 CGCDRN Cc1cccc(O[C@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871198731 633722123 /nfs/dbraw/zinc/72/21/23/633722123.db2.gz KXDXESZAUAMNMK-CYBMUJFWSA-N 0 0 297.354 3.010 20 10 CGCDRN CC(C)C[C@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200940 633723718 /nfs/dbraw/zinc/72/37/18/633723718.db2.gz NRBOOAIHTADLRU-LBPRGKRZSA-N 0 0 261.365 3.307 20 10 CGCDRN CCC(CC)n1ccc(C(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871202797 633723796 /nfs/dbraw/zinc/72/37/96/633723796.db2.gz GLJKLIMIIARYPK-UHFFFAOYSA-N 0 0 299.374 3.106 20 10 CGCDRN C[C@@H]1CCC[C@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204918 633725524 /nfs/dbraw/zinc/72/55/24/633725524.db2.gz SNCULVUHYGJFHX-NEPJUHHUSA-N 0 0 259.349 3.061 20 10 CGCDRN COC(=O)c1cnc(SCCCc2ccncc2)s1 ZINC000829681099 633766016 /nfs/dbraw/zinc/76/60/16/633766016.db2.gz NUAIZAHICCMOTG-UHFFFAOYSA-N 0 0 294.401 3.050 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H](CC(C)C)C(=O)[O-])cc1C ZINC000871877181 633907168 /nfs/dbraw/zinc/90/71/68/633907168.db2.gz ABPRZXAYUPXQFI-OAHLLOKOSA-N 0 0 293.407 3.373 20 10 CGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2C)cc1C ZINC000871882351 633909048 /nfs/dbraw/zinc/90/90/48/633909048.db2.gz GGIQQMIGGCPVOT-KRWDZBQOSA-N 0 0 299.370 3.228 20 10 CGCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000831033589 633911718 /nfs/dbraw/zinc/91/17/18/633911718.db2.gz ZKJIDXIDUIYMJI-WFASDCNBSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000872131832 634051973 /nfs/dbraw/zinc/05/19/73/634051973.db2.gz AHPXMJQKHBUEAW-SCZZXKLOSA-N 0 0 293.317 3.181 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCCCc3cccnc32)c1 ZINC000872293801 634103843 /nfs/dbraw/zinc/10/38/43/634103843.db2.gz LMOJUUFKYRGQLL-BQYQJAHWSA-N 0 0 293.370 3.168 20 10 CGCDRN CCN1C(=O)/C(=C\c2c(C)cccc2OC)SC1=S ZINC000834398973 634162090 /nfs/dbraw/zinc/16/20/90/634162090.db2.gz VZKIOWGTLLDBTG-XYOKQWHBSA-N 0 0 293.413 3.225 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1ccc(OC(F)F)nc1)CC2 ZINC000834794167 634243764 /nfs/dbraw/zinc/24/37/64/634243764.db2.gz PZQGSWVXJWUBAD-LLVKDONJSA-N 0 0 292.285 3.488 20 10 CGCDRN CC(C)OC(=O)[C@@H](N[C@@H](C)c1ccccc1O)C(C)C ZINC000834884654 634266682 /nfs/dbraw/zinc/26/66/82/634266682.db2.gz ALXBHDRAMWYVPM-WFASDCNBSA-N 0 0 279.380 3.019 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894946 634272418 /nfs/dbraw/zinc/27/24/18/634272418.db2.gz NEFDFPHMKSCKSZ-GBIKHYSHSA-N 0 0 275.327 3.084 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894297 634272436 /nfs/dbraw/zinc/27/24/36/634272436.db2.gz KBQPACIWZVGDLZ-LEWSCRJBSA-N 0 0 289.354 3.475 20 10 CGCDRN CCC(C)(C)OCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834914448 634286044 /nfs/dbraw/zinc/28/60/44/634286044.db2.gz MYDJZURLRRQNFP-NSHDSACASA-N 0 0 296.367 3.156 20 10 CGCDRN CN(C)c1ccc(/C=C\CN(C)Cc2nccs2)cc1 ZINC000835026077 634325700 /nfs/dbraw/zinc/32/57/00/634325700.db2.gz PIMBXSOUKRXPPI-PLNGDYQASA-N 0 0 287.432 3.354 20 10 CGCDRN CN(C)c1ccc(/C=C\CN(CC(F)F)C2CC2)cc1 ZINC000835027383 634325733 /nfs/dbraw/zinc/32/57/33/634325733.db2.gz FJMBVXQSKGXZEN-ARJAWSKDSA-N 0 0 280.362 3.495 20 10 CGCDRN Cc1nc(CNC/C=C/c2ccc(N(C)C)cc2)cs1 ZINC000835036860 634328514 /nfs/dbraw/zinc/32/85/14/634328514.db2.gz RLGAMPPCELCQIC-SNAWJCMRSA-N 0 0 287.432 3.321 20 10 CGCDRN Cc1ccc(N(CC(C)C)C(=O)/C=C/c2cnccn2)cc1 ZINC000837071075 634850917 /nfs/dbraw/zinc/85/09/17/634850917.db2.gz RHTLARADFYXFEM-RMKNXTFCSA-N 0 0 295.386 3.487 20 10 CGCDRN Nc1ccc(CNC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000837303034 634881751 /nfs/dbraw/zinc/88/17/51/634881751.db2.gz QXVJQMYWHJMPQJ-OAHLLOKOSA-N 0 0 280.371 3.005 20 10 CGCDRN COc1ccc(OC)c(NCc2ccc(C)cc2O)c1 ZINC000876837868 634912854 /nfs/dbraw/zinc/91/28/54/634912854.db2.gz LENCJQTUJYYLPJ-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CC(C)CCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000837519716 634925086 /nfs/dbraw/zinc/92/50/86/634925086.db2.gz DDVJOGXNGLOPSJ-CYBMUJFWSA-N 0 0 293.407 3.361 20 10 CGCDRN CN(C(=O)[C@H]1C[C@H]1C1CCCC1)c1ccc(N)cc1 ZINC000877074799 634972596 /nfs/dbraw/zinc/97/25/96/634972596.db2.gz SIUIWSXBZPKNBP-GJZGRUSLSA-N 0 0 258.365 3.058 20 10 CGCDRN CCCC[C@@](C)(F)C(=O)N(C)c1ccc(N)cc1 ZINC000877074387 634972771 /nfs/dbraw/zinc/97/27/71/634972771.db2.gz IKYHRVDATZDKBP-CQSZACIVSA-N 0 0 252.333 3.150 20 10 CGCDRN CCC[C@H]1CCC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877075032 634972928 /nfs/dbraw/zinc/97/29/28/634972928.db2.gz YSJOTUOBKVZOQE-WFASDCNBSA-N 0 0 260.381 3.448 20 10 CGCDRN CC[C@H](C(=O)N(C)c1ccc(N)cc1)c1ccc(OC)cc1 ZINC000877076758 634974267 /nfs/dbraw/zinc/97/42/67/634974267.db2.gz VCDSOIQNNYJEHF-KRWDZBQOSA-N 0 0 298.386 3.434 20 10 CGCDRN C[C@@H](OC1CCCCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078569 634975504 /nfs/dbraw/zinc/97/55/04/634975504.db2.gz VEICPRNQAMFLEW-CYBMUJFWSA-N 0 0 290.407 3.360 20 10 CGCDRN Cc1ccc(CNc2cccc3c2OCC[C@H]3O)c(O)c1 ZINC000877377371 635032510 /nfs/dbraw/zinc/03/25/10/635032510.db2.gz JCUUMLCABZDIPV-OAHLLOKOSA-N 0 0 285.343 3.129 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(C(=O)N(C)C)c(C)c1 ZINC000877477537 635051610 /nfs/dbraw/zinc/05/16/10/635051610.db2.gz DLBJCUMOFRNGGF-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN C[C@@H]1CC(CC[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@@H](C)O1 ZINC000877504363 635064610 /nfs/dbraw/zinc/06/46/10/635064610.db2.gz DJNAZKBTHVCQFM-GHMZBOCLSA-N 0 0 299.361 3.354 20 10 CGCDRN Cc1cccc(O)c1CN1CCCN1C(=O)OC(C)(C)C ZINC000877506334 635065241 /nfs/dbraw/zinc/06/52/41/635065241.db2.gz UUQGXXOQRCDGJR-UHFFFAOYSA-N 0 0 292.379 3.058 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2c2ccncc2)ccc(F)c1F ZINC000877524397 635072341 /nfs/dbraw/zinc/07/23/41/635072341.db2.gz WTNLSXKKZUQAOR-CQSZACIVSA-N 0 0 290.313 3.403 20 10 CGCDRN [O-]c1c(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)ccc(F)c1F ZINC000877568594 635095514 /nfs/dbraw/zinc/09/55/14/635095514.db2.gz SALMFLDTXIUQSK-IUODEOHRSA-N 0 0 279.330 3.291 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc([C@H]2CCC(=O)N2)c1 ZINC000877590527 635105060 /nfs/dbraw/zinc/10/50/60/635105060.db2.gz ADJSMAIFRAKYTH-MRXNPFEDSA-N 0 0 296.370 3.264 20 10 CGCDRN Oc1ccccc1CNc1ccc2c(c1)CCCN2 ZINC000841034417 635110249 /nfs/dbraw/zinc/11/02/49/635110249.db2.gz ALQHBJZEPOOUSF-UHFFFAOYSA-N 0 0 254.333 3.362 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[NH+]1CC(Cc2cccs2)C1 ZINC000877659425 635135493 /nfs/dbraw/zinc/13/54/93/635135493.db2.gz RUEGDEIZTDTYTG-UHFFFAOYSA-N 0 0 295.354 3.406 20 10 CGCDRN Cc1cc(Cl)cc(CNc2cnn3c2CCCC3)c1O ZINC000877692868 635147709 /nfs/dbraw/zinc/14/77/09/635147709.db2.gz XSPYBONBMHTFFJ-UHFFFAOYSA-N 0 0 291.782 3.499 20 10 CGCDRN CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(N)cc1 ZINC000841295819 635148382 /nfs/dbraw/zinc/14/83/82/635148382.db2.gz GTGCANHROPJOGA-OAHLLOKOSA-N 0 0 291.395 3.082 20 10 CGCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)CC1(C)C ZINC000841296803 635148415 /nfs/dbraw/zinc/14/84/15/635148415.db2.gz ZDGIIIAPVIDLNI-NSHDSACASA-N 0 0 261.369 3.169 20 10 CGCDRN Nc1ccc(NC(=O)NCCOC2CCCCCC2)cc1 ZINC000841300961 635150989 /nfs/dbraw/zinc/15/09/89/635150989.db2.gz XWRQEECTOZQFPL-UHFFFAOYSA-N 0 0 291.395 3.130 20 10 CGCDRN CN(C)c1ccc(F)cc1CN1Cc2cccc(O)c2C1 ZINC000877703216 635155863 /nfs/dbraw/zinc/15/58/63/635155863.db2.gz WKEREXNFQUDEIB-UHFFFAOYSA-N 0 0 286.350 3.113 20 10 CGCDRN CN(C(=O)c1cccc(O)c1O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841454200 635178136 /nfs/dbraw/zinc/17/81/36/635178136.db2.gz VOKCKCRRQRCZNY-STQMWFEESA-N 0 0 291.391 3.385 20 10 CGCDRN CCN1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841743163 635221097 /nfs/dbraw/zinc/22/10/97/635221097.db2.gz DRGHEQLWWBINDS-LLVKDONJSA-N 0 0 282.815 3.181 20 10 CGCDRN CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747922 635224319 /nfs/dbraw/zinc/22/43/19/635224319.db2.gz UWWKUTZTHZLUJE-VHSXEESVSA-N 0 0 257.761 3.121 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841751211 635225186 /nfs/dbraw/zinc/22/51/86/635225186.db2.gz FXPNHQJVHSGTEY-NRUUGDAUSA-N 0 0 269.772 3.121 20 10 CGCDRN C[C@@H](N[C@@H](C)c1csnn1)c1ccc(Cl)cc1O ZINC000841754759 635228419 /nfs/dbraw/zinc/22/84/19/635228419.db2.gz DCRHEDIWQYSQDF-SFYZADRCSA-N 0 0 283.784 3.309 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756395 635230238 /nfs/dbraw/zinc/23/02/38/635230238.db2.gz XPHAFQKCGKKNJJ-DCAQKATOSA-N 0 0 269.772 3.121 20 10 CGCDRN C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(F)cc1[O-] ZINC000841758422 635232124 /nfs/dbraw/zinc/23/21/24/635232124.db2.gz AUNIRQQBCSGTSA-BZNIZROVSA-N 0 0 287.334 3.453 20 10 CGCDRN Cc1coc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000878143502 635376178 /nfs/dbraw/zinc/37/61/78/635376178.db2.gz NADXJCUYYWAQBP-UHFFFAOYSA-N 0 0 298.386 3.459 20 10 CGCDRN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842755615 635461942 /nfs/dbraw/zinc/46/19/42/635461942.db2.gz HNFOKYHBSKPTHS-UWVGGRQHSA-N 0 0 289.778 3.071 20 10 CGCDRN C/C(=C/c1nc(Cc2ccc(N)cc2)no1)C1CC1 ZINC000843159492 635588746 /nfs/dbraw/zinc/58/87/46/635588746.db2.gz RBGLJYQECZRISV-NTMALXAHSA-N 0 0 255.321 3.056 20 10 CGCDRN C[C@H]1CC/C(=C/c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843160118 635589283 /nfs/dbraw/zinc/58/92/83/635589283.db2.gz VQIZTHFBGLSTOR-KBICQTFXSA-N 0 0 269.348 3.446 20 10 CGCDRN C[C@@H]1CC/C(=C\c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843160115 635589401 /nfs/dbraw/zinc/58/94/01/635589401.db2.gz VQIZTHFBGLSTOR-BVRAVYJCSA-N 0 0 269.348 3.446 20 10 CGCDRN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843426774 635671838 /nfs/dbraw/zinc/67/18/38/635671838.db2.gz ACOMLLAQKJLLNQ-SKDRFNHKSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843433609 635674426 /nfs/dbraw/zinc/67/44/26/635674426.db2.gz AVYXNINSEPSZHG-RDDDGLTNSA-N 0 0 275.776 3.168 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000843435266 635675982 /nfs/dbraw/zinc/67/59/82/635675982.db2.gz RTNGJSQHGWPYKX-HOTUBEGUSA-N 0 0 269.747 3.463 20 10 CGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)C2 ZINC000843496219 635680946 /nfs/dbraw/zinc/68/09/46/635680946.db2.gz YEJSIRDJLSRFLE-YJYMSZOUSA-N 0 0 294.398 3.169 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C1(F)CC1 ZINC000843878879 635791574 /nfs/dbraw/zinc/79/15/74/635791574.db2.gz GGMFOPWIBQBZNA-UHFFFAOYSA-N 0 0 265.328 3.023 20 10 CGCDRN Cc1nnsc1COc1ccc(N2CCCC2)cc1 ZINC000844238966 635845034 /nfs/dbraw/zinc/84/50/34/635845034.db2.gz NRTPAZDUSJCIKB-UHFFFAOYSA-N 0 0 275.377 3.026 20 10 CGCDRN C[C@H](NC(=O)Nc1ccc2c(n1)CCC2)c1ccccc1O ZINC000879819179 635868183 /nfs/dbraw/zinc/86/81/83/635868183.db2.gz OVANSTZGKYDIGS-NSHDSACASA-N 0 0 297.358 3.159 20 10 CGCDRN COC(=O)c1oc(CN(C)c2ccc(OC)cc2)cc1C ZINC000844353276 635877658 /nfs/dbraw/zinc/87/76/58/635877658.db2.gz KCICAUIHFFZTLT-UHFFFAOYSA-N 0 0 289.331 3.020 20 10 CGCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C1CCC1 ZINC000845075040 636005347 /nfs/dbraw/zinc/00/53/47/636005347.db2.gz KGUJNXCYOBCZHY-SECBINFHSA-N 0 0 282.771 3.033 20 10 CGCDRN C[C@H](CCC1CC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000845120681 636007164 /nfs/dbraw/zinc/00/71/64/636007164.db2.gz URWZODQIIBDWKN-SNVBAGLBSA-N 0 0 296.798 3.424 20 10 CGCDRN CN(C)c1ccc(CN2CCCC(F)(F)C2)cc1F ZINC000846013986 636129646 /nfs/dbraw/zinc/12/96/46/636129646.db2.gz MHNOFQRALYULAB-UHFFFAOYSA-N 0 0 272.314 3.123 20 10 CGCDRN C[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000846071932 636141530 /nfs/dbraw/zinc/14/15/30/636141530.db2.gz CJTYJZGKAYWAFS-VIFPVBQESA-N 0 0 287.762 3.089 20 10 CGCDRN COc1cccc([C@@H](C)N[C@@H]2CCCC2(F)F)c1O ZINC000846172667 636153819 /nfs/dbraw/zinc/15/38/19/636153819.db2.gz OEQHPHXVNKAJPO-BXKDBHETSA-N 0 0 271.307 3.239 20 10 CGCDRN C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846206748 636158707 /nfs/dbraw/zinc/15/87/07/636158707.db2.gz HZQFWUUJLGVQLU-SNVBAGLBSA-N 0 0 276.336 3.284 20 10 CGCDRN C[C@]1(CCNC(=O)Nc2ccc(N)cc2)C[C@]1(F)Cl ZINC000846310931 636174963 /nfs/dbraw/zinc/17/49/63/636174963.db2.gz RTNFOIHRFPESBY-QWHCGFSZSA-N 0 0 285.750 3.095 20 10 CGCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473263 636186866 /nfs/dbraw/zinc/18/68/66/636186866.db2.gz KZSKREHNQITRIE-VHSXEESVSA-N 0 0 269.772 3.344 20 10 CGCDRN CC(C(=O)NCc1cc(Cl)ccc1O)=C1CCC1 ZINC000846475688 636188094 /nfs/dbraw/zinc/18/80/94/636188094.db2.gz FPJXVMPELKVTAV-UHFFFAOYSA-N 0 0 265.740 3.162 20 10 CGCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846477710 636189154 /nfs/dbraw/zinc/18/91/54/636189154.db2.gz VLLHXAVIQSETRS-ZWNOBZJWSA-N 0 0 281.783 3.488 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cc(C3CC3)ncn2)c1 ZINC000881917207 636214870 /nfs/dbraw/zinc/21/48/70/636214870.db2.gz GERSRGPKXZNMME-JTQLQIEISA-N 0 0 285.347 3.241 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCc1ccccc1 ZINC000005955626 636375578 /nfs/dbraw/zinc/37/55/78/636375578.db2.gz RUTDTHOYUUOTNF-LUAWRHEFSA-N 0 0 298.338 3.287 20 10 CGCDRN CCc1nc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cs1 ZINC000882958461 636479866 /nfs/dbraw/zinc/47/98/66/636479866.db2.gz AZORZOZXOGYNTB-UHFFFAOYSA-N 0 0 298.358 3.022 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)C(C)C ZINC000848100364 636529143 /nfs/dbraw/zinc/52/91/43/636529143.db2.gz NJIHGWOCCRDRNZ-ZVTBTPLYSA-N 0 0 277.364 3.004 20 10 CGCDRN Cc1csc([C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883088205 636537102 /nfs/dbraw/zinc/53/71/02/636537102.db2.gz WWOXDOUAXAQPTL-QMMMGPOBSA-N 0 0 298.358 3.329 20 10 CGCDRN C[C@@H](NC(=O)N1CCCCCC1)c1ccccc1O ZINC000883121750 636547232 /nfs/dbraw/zinc/54/72/32/636547232.db2.gz QWKAFONWVKMNJO-GFCCVEGCSA-N 0 0 262.353 3.039 20 10 CGCDRN CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883134800 636550616 /nfs/dbraw/zinc/55/06/16/636550616.db2.gz JRERWDQHJLVYDZ-ABAIWWIYSA-N 0 0 299.361 3.211 20 10 CGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1cncc(C)c1 ZINC000131092351 636555619 /nfs/dbraw/zinc/55/56/19/636555619.db2.gz LDEJOFAWYIPZNC-GQCTYLIASA-N 0 0 294.354 3.137 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1[O-] ZINC000848569242 636611732 /nfs/dbraw/zinc/61/17/32/636611732.db2.gz YBFKZICRLXPMPG-APHBMKBZSA-N 0 0 292.398 3.199 20 10 CGCDRN C=C/C=C\CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883268116 636639489 /nfs/dbraw/zinc/63/94/89/636639489.db2.gz CGBGDVBWRCJYOB-WYGGZMRJSA-N 0 0 262.309 3.083 20 10 CGCDRN CCOC(=O)[C@@H](NCc1cccc(CC)c1O)C(C)(C)C ZINC000848902711 636682758 /nfs/dbraw/zinc/68/27/58/636682758.db2.gz GWVBAINBXXGLNZ-OAHLLOKOSA-N 0 0 293.407 3.022 20 10 CGCDRN CCc1cccc(CNc2cccc3c2OCC[C@@H]3O)c1O ZINC000848903281 636683198 /nfs/dbraw/zinc/68/31/98/636683198.db2.gz PEGMGLBJTRIYQE-INIZCTEOSA-N 0 0 299.370 3.383 20 10 CGCDRN COc1ccc(O)c(CN2CCCc3ccccc32)c1 ZINC000131717217 636737888 /nfs/dbraw/zinc/73/78/88/636737888.db2.gz RSTJXNAJFABACO-UHFFFAOYSA-N 0 0 269.344 3.354 20 10 CGCDRN C[C@@H](N[C@H](C)C(F)F)c1cc(Br)ccc1O ZINC000883399210 636739914 /nfs/dbraw/zinc/73/99/14/636739914.db2.gz HJWKOZQYYZXMEB-RNFRBKRXSA-N 0 0 294.139 3.459 20 10 CGCDRN C[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294788 636750377 /nfs/dbraw/zinc/75/03/77/636750377.db2.gz PDXIAWPUPWFEMS-RHSMWYFYSA-N 0 0 286.419 3.195 20 10 CGCDRN CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000085069839 636770316 /nfs/dbraw/zinc/77/03/16/636770316.db2.gz DODSMVOGBABAAD-RISCZKNCSA-N 0 0 261.369 3.359 20 10 CGCDRN COc1cccc(CNc2c(F)cccc2[N+](=O)[O-])c1O ZINC000132474202 636811621 /nfs/dbraw/zinc/81/16/21/636811621.db2.gz HGNUGZAOTWFYKI-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN COc1cc(CNc2ncccn2)c(O)c(C(C)(C)C)c1 ZINC000849345105 636815227 /nfs/dbraw/zinc/81/52/27/636815227.db2.gz KAKXSHZWKIDBGE-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN COc1cc(CNCC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000849345987 636815491 /nfs/dbraw/zinc/81/54/91/636815491.db2.gz LYWKUSWNBXSMLX-UHFFFAOYSA-N 0 0 291.313 3.350 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(OC)c(O)c2)cc1 ZINC000133063982 636869834 /nfs/dbraw/zinc/86/98/34/636869834.db2.gz ZXDLHLVSNYEBID-UHFFFAOYSA-N 0 0 273.332 3.046 20 10 CGCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)NC1CCCC1 ZINC000849999035 636924150 /nfs/dbraw/zinc/92/41/50/636924150.db2.gz VRLRISVQYVEERC-SSDOTTSWSA-N 0 0 290.841 3.336 20 10 CGCDRN Cc1csc(=O)n1CCSc1ncc(Cl)s1 ZINC000849999040 636924247 /nfs/dbraw/zinc/92/42/47/636924247.db2.gz VVCHSBZSUIBMQL-UHFFFAOYSA-N 0 0 292.838 3.120 20 10 CGCDRN COc1cccc(C[N@H+](C)CC2CCCCC2)c1O ZINC000133571875 636941330 /nfs/dbraw/zinc/94/13/30/636941330.db2.gz CGIQBDQCWWNBCP-UHFFFAOYSA-N 0 0 263.381 3.413 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCOc2ccccc2C1 ZINC000134092524 636998021 /nfs/dbraw/zinc/99/80/21/636998021.db2.gz GNTGFLAVKSNDNQ-UHFFFAOYSA-N 0 0 289.762 3.440 20 10 CGCDRN C[C@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1(F)F ZINC000850379093 637039184 /nfs/dbraw/zinc/03/91/84/637039184.db2.gz DXPMLPMVDIPVAA-LLVKDONJSA-N 0 0 279.689 3.320 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(c2)CCOC3)cc1 ZINC000850382366 637040805 /nfs/dbraw/zinc/04/08/05/637040805.db2.gz TZMZULVZIPWTEL-UHFFFAOYSA-N 0 0 282.387 3.437 20 10 CGCDRN CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134900475 637048199 /nfs/dbraw/zinc/04/81/99/637048199.db2.gz ZPWOGKCOLFFQHK-SSDOTTSWSA-N 0 0 276.149 3.354 20 10 CGCDRN CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499108 637092213 /nfs/dbraw/zinc/09/22/13/637092213.db2.gz JNTOUDJHDXKWGV-UHOFOFEASA-N 0 0 299.422 3.091 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cscn1 ZINC000850511246 637097137 /nfs/dbraw/zinc/09/71/37/637097137.db2.gz AEXVKSCEXZVYSW-IUCAKERBSA-N 0 0 293.348 3.169 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850536539 637112316 /nfs/dbraw/zinc/11/23/16/637112316.db2.gz KZMVBLBPNFZSOP-JVXZTZIISA-N 0 0 277.261 3.366 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850541309 637115114 /nfs/dbraw/zinc/11/51/14/637115114.db2.gz YFNYGTJLKUBITB-RNCFNFMXSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(F)cc1[O-] ZINC000850552551 637119253 /nfs/dbraw/zinc/11/92/53/637119253.db2.gz NVRLWXRICPDCKO-PELKAZGASA-N 0 0 273.298 3.473 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC[C@@H](C3CC3)O2)cc1OC ZINC000885965296 637335024 /nfs/dbraw/zinc/33/50/24/637335024.db2.gz LMBYURZGYHINQN-CABCVRRESA-N 0 0 291.391 3.098 20 10 CGCDRN Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)ccc1O ZINC000136493495 637384767 /nfs/dbraw/zinc/38/47/67/637384767.db2.gz SOSLZNFWYATDRK-MDZDMXLPSA-N 0 0 289.356 3.113 20 10 CGCDRN Cc1cccc(NCc2ccccc2O)c1[N+](=O)[O-] ZINC000218846772 637470245 /nfs/dbraw/zinc/47/02/45/637470245.db2.gz CLIYIVFIDKLHFK-UHFFFAOYSA-N 0 0 258.277 3.221 20 10 CGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2ncco2)cc1 ZINC000886275537 637477408 /nfs/dbraw/zinc/47/74/08/637477408.db2.gz CPDMDLKMHFAJEB-ZDUSSCGKSA-N 0 0 273.380 3.372 20 10 CGCDRN CCN(CC)c1ccc(CN[C@H](C)c2ncco2)cc1 ZINC000886275536 637477873 /nfs/dbraw/zinc/47/78/73/637477873.db2.gz CPDMDLKMHFAJEB-CYBMUJFWSA-N 0 0 273.380 3.372 20 10 CGCDRN CC(C)COCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886493354 637541545 /nfs/dbraw/zinc/54/15/45/637541545.db2.gz GFSGTZVYDMENRQ-GFCCVEGCSA-N 0 0 269.360 3.245 20 10 CGCDRN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886509075 637544924 /nfs/dbraw/zinc/54/49/24/637544924.db2.gz ZPSBTPSXJDVTLO-WBMJQRKESA-N 0 0 289.350 3.224 20 10 CGCDRN CO[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(C)(C)C ZINC000886534277 637559455 /nfs/dbraw/zinc/55/94/55/637559455.db2.gz FELACUKDKPMBGJ-ZWNOBZJWSA-N 0 0 269.360 3.243 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCSC1)c1c([O-])cccc1F ZINC000886537193 637561142 /nfs/dbraw/zinc/56/11/42/637561142.db2.gz VUMDJIJPOFKPPN-NXEZZACHSA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@H]([NH2+]CCC(F)(F)F)c1c([O-])cccc1F ZINC000886536201 637562657 /nfs/dbraw/zinc/56/26/57/637562657.db2.gz CPJAVTGPAMKNTM-ZETCQYMHSA-N 0 0 251.223 3.134 20 10 CGCDRN Cc1cccc([C@H](O)C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886551075 637575921 /nfs/dbraw/zinc/57/59/21/637575921.db2.gz AWDWRDFWLOBTRH-MLGOLLRUSA-N 0 0 289.350 3.224 20 10 CGCDRN CC(C)OCCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886587711 637593580 /nfs/dbraw/zinc/59/35/80/637593580.db2.gz DDXJMXCAQKNCLX-GFCCVEGCSA-N 0 0 269.360 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1c([O-])cccc1F ZINC000886594246 637596673 /nfs/dbraw/zinc/59/66/73/637596673.db2.gz ISUOQAWRMUVCRN-GHMZBOCLSA-N 0 0 267.344 3.140 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886623941 637614697 /nfs/dbraw/zinc/61/46/97/637614697.db2.gz UCUXSHOBUNDSMM-SDDRHHMPSA-N 0 0 267.344 3.138 20 10 CGCDRN CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886625619 637615928 /nfs/dbraw/zinc/61/59/28/637615928.db2.gz WAUAGUGRDJCGSQ-GDLVEWKHSA-N 0 0 281.371 3.386 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1c([O-])cccc1F ZINC000886638657 637622615 /nfs/dbraw/zinc/62/26/15/637622615.db2.gz ZCQDSOOZWGLBAM-LDYMZIIASA-N 0 0 273.298 3.473 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1c([O-])cccc1F ZINC000886638560 637623342 /nfs/dbraw/zinc/62/33/42/637623342.db2.gz WZXSCVSAYKSIMB-GRYCIOLGSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1c([O-])cccc1F ZINC000886639576 637624258 /nfs/dbraw/zinc/62/42/58/637624258.db2.gz GLIMDKYBZNYQQA-DTWKUNHWSA-N 0 0 259.271 3.227 20 10 CGCDRN Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886650636 637629384 /nfs/dbraw/zinc/62/93/84/637629384.db2.gz ZZFUVRDFGABYLE-GXSJLCMTSA-N 0 0 275.327 3.042 20 10 CGCDRN C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1c([O-])cccc1F ZINC000886650458 637629520 /nfs/dbraw/zinc/62/95/20/637629520.db2.gz XJUAPAHQZQNCOG-FZMZJTMJSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1c([O-])cccc1F ZINC000886651684 637630683 /nfs/dbraw/zinc/63/06/83/637630683.db2.gz OSVHBZPWCNEHHT-NEPJUHHUSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(F)cc1[O-] ZINC000886684501 637649736 /nfs/dbraw/zinc/64/97/36/637649736.db2.gz MPRMFGILZONHQA-VIFPVBQESA-N 0 0 276.311 3.248 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(F)cc1[O-] ZINC000886701481 637662850 /nfs/dbraw/zinc/66/28/50/637662850.db2.gz QDRVCEAIDJYPJO-DGCLKSJQSA-N 0 0 279.355 3.141 20 10 CGCDRN CC1(C)C[C@@]1(NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000852923771 637723735 /nfs/dbraw/zinc/72/37/35/637723735.db2.gz DQGQGKKEARNUPR-LJQANCHMSA-N 0 0 294.398 3.253 20 10 CGCDRN C[C@@H]1CC(CNC(=O)Nc2ccc(N)cc2)C[C@@H](C)C1 ZINC000829130443 638214902 /nfs/dbraw/zinc/21/49/02/638214902.db2.gz CGIXGMZWXWCJQP-RYUDHWBXSA-N 0 0 275.396 3.463 20 10 CGCDRN CN(C(=O)Nc1ccc(N)cc1)C1CCC(F)(F)CC1 ZINC000829415985 638216605 /nfs/dbraw/zinc/21/66/05/638216605.db2.gz CHEODULNUJQTND-UHFFFAOYSA-N 0 0 283.322 3.310 20 10 CGCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000855932116 638279934 /nfs/dbraw/zinc/27/99/34/638279934.db2.gz MAUOCUDJPZCNTJ-VXGBXAGGSA-N 0 0 277.364 3.057 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@H](C)c2ccccc2)c1 ZINC000114544314 638376010 /nfs/dbraw/zinc/37/60/10/638376010.db2.gz WKEMBKAONHUIEW-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857065633 638448482 /nfs/dbraw/zinc/44/84/82/638448482.db2.gz RVNQUJNRTXIKKJ-SECBINFHSA-N 0 0 278.154 3.205 20 10 CGCDRN C[C@H]([NH2+]CC1CC(C)C1)c1cc(F)cc(F)c1[O-] ZINC000857084638 638455545 /nfs/dbraw/zinc/45/55/45/638455545.db2.gz ZIAOWPCAZRXNJV-KYHHOPLUSA-N 0 0 255.308 3.367 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)o1 ZINC000115281156 638515275 /nfs/dbraw/zinc/51/52/75/638515275.db2.gz NHMUFKUBOFCHFW-UHFFFAOYSA-N 0 0 286.375 3.201 20 10 CGCDRN Cc1ncccc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858273997 638670977 /nfs/dbraw/zinc/67/09/77/638670977.db2.gz KKQAHJHNNGHEAM-UHFFFAOYSA-N 0 0 291.345 3.024 20 10 CGCDRN C[C@H]1CC(=O)N(C)c2ccc(NCc3ccccc3O)cc21 ZINC000858311009 638677305 /nfs/dbraw/zinc/67/73/05/638677305.db2.gz DGDWUFDEGIKMFD-LBPRGKRZSA-N 0 0 296.370 3.474 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(F)cc1[O-] ZINC000926937744 638827235 /nfs/dbraw/zinc/82/72/35/638827235.db2.gz YFBJOPKZAZYAKY-LMWOUKEDSA-N 0 0 291.366 3.163 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000927015296 638831944 /nfs/dbraw/zinc/83/19/44/638831944.db2.gz AOCOPCXETBAUMG-BMIGLBTASA-N 0 0 285.334 3.280 20 10 CGCDRN CC(C)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cnn(C)c1 ZINC000927066971 638837313 /nfs/dbraw/zinc/83/73/13/638837313.db2.gz PLUDLPCVKUXTMK-ZBEGNZNMSA-N 0 0 291.370 3.313 20 10 CGCDRN CC[C@@H](CC(F)(F)F)C(=O)NCc1c(O)cccc1F ZINC000928706275 638889491 /nfs/dbraw/zinc/88/94/91/638889491.db2.gz QFYYAMFKBWGFJE-QMMMGPOBSA-N 0 0 293.260 3.126 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1cc2c(s1)CCC2 ZINC000928709861 638889760 /nfs/dbraw/zinc/88/97/60/638889760.db2.gz MRCCYTQWRQMOMP-UHFFFAOYSA-N 0 0 291.347 3.012 20 10 CGCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1cc(C)ccc1C ZINC000930318373 638990535 /nfs/dbraw/zinc/99/05/35/638990535.db2.gz QDTLRHAJIQDUBQ-CMDGGOBGSA-N 0 0 283.375 3.103 20 10 CGCDRN CC(C)c1cccc(N(C)C(=O)/C=C/c2cn(C)cn2)c1 ZINC000930678277 639051760 /nfs/dbraw/zinc/05/17/60/639051760.db2.gz FWDDOUWTUNWIAI-CMDGGOBGSA-N 0 0 283.375 3.220 20 10 CGCDRN CCN(Cc1cc(CO)ccc1F)c1ccc(OC)cc1 ZINC000859176772 639100365 /nfs/dbraw/zinc/10/03/65/639100365.db2.gz WPEIISGJVGKELV-UHFFFAOYSA-N 0 0 289.350 3.353 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CSc2ccccc21 ZINC000118494112 639608495 /nfs/dbraw/zinc/60/84/95/639608495.db2.gz DUPBRKIBJBNMFG-CQSZACIVSA-N 0 0 299.395 3.240 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)C1CC2(CCC2)C1 ZINC000862025246 639634749 /nfs/dbraw/zinc/63/47/49/639634749.db2.gz QCCRFWZUYRIPEF-UHFFFAOYSA-N 0 0 296.370 3.137 20 10 CGCDRN O=C(C[C@@H]1C=CCCC1)NCc1ccc2cccnc2c1O ZINC000862027113 639634870 /nfs/dbraw/zinc/63/48/70/639634870.db2.gz JOYZTUOFUMXEDE-CYBMUJFWSA-N 0 0 296.370 3.303 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)C1CCCC1 ZINC000862027339 639636287 /nfs/dbraw/zinc/63/62/87/639636287.db2.gz ODSVOKMXOJKKLK-GFCCVEGCSA-N 0 0 298.386 3.383 20 10 CGCDRN CCCN(CC)CC[NH2+][C@@H](CC)c1ccccc1O ZINC000156186120 639968323 /nfs/dbraw/zinc/96/83/23/639968323.db2.gz BMCWPYJFZYHGTF-HNNXBMFYSA-N 0 0 264.413 3.165 20 10 CGCDRN O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000158120836 639998878 /nfs/dbraw/zinc/99/88/78/639998878.db2.gz MGBDWWVYFILMQY-UHFFFAOYSA-N 0 0 292.722 3.244 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)Nc1cccc(F)c1 ZINC000048875048 640075643 /nfs/dbraw/zinc/07/56/43/640075643.db2.gz BBCIPUBBAQHCJY-MRVPVSSYSA-N 0 0 282.365 3.402 20 10 CGCDRN CCC[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159808 640122066 /nfs/dbraw/zinc/12/20/66/640122066.db2.gz MTEOWXDDYKCWTO-LBPRGKRZSA-N 0 0 275.392 3.323 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CCCCC1 ZINC000075160125 640123366 /nfs/dbraw/zinc/12/33/66/640123366.db2.gz WNOHFEIQCCLVOB-UHFFFAOYSA-N 0 0 287.403 3.468 20 10 CGCDRN O=C1N[C@H](c2cc(F)ccc2O)Nc2cc(Cl)ccc21 ZINC000077472261 640241590 /nfs/dbraw/zinc/24/15/90/640241590.db2.gz OXLVHOQLFAAYBZ-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2CCC2)c1[O-] ZINC000079443655 640402209 /nfs/dbraw/zinc/40/22/09/640402209.db2.gz HGILGRRQSPTRHH-UHFFFAOYSA-N 0 0 279.355 3.497 20 10 CGCDRN CCCN(Cc1cc2c(cc1O)CCC2)CC(F)F ZINC000194844288 640557275 /nfs/dbraw/zinc/55/72/75/640557275.db2.gz UPCZRDVIOQTUJS-UHFFFAOYSA-N 0 0 269.335 3.358 20 10 CGCDRN CCC[C@H](CC)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195737467 640593158 /nfs/dbraw/zinc/59/31/58/640593158.db2.gz WGWNKMFVWAQYHY-ZDUSSCGKSA-N 0 0 295.402 3.270 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1ccccc1 ZINC000280420327 641036105 /nfs/dbraw/zinc/03/61/05/641036105.db2.gz IOKCUDFJALDHAG-OAHLLOKOSA-N 0 0 297.354 3.465 20 10 CGCDRN CC(C)=C[C@H]1[C@H](C(=O)NCc2c(O)cccc2F)C1(C)C ZINC001156170729 805662156 /nfs/dbraw/zinc/66/21/56/805662156.db2.gz SWOQMYLZZPNXIJ-SWLSCSKDSA-N 0 0 291.366 3.386 20 10 CGCDRN F[C@H](NCc1ccc2c(c1)CCO2)c1ccnc(Cl)c1 ZINC001156973154 805761193 /nfs/dbraw/zinc/76/11/93/805761193.db2.gz IJYPXVDVNHBOKI-OAHLLOKOSA-N 0 0 292.741 3.428 20 10 CGCDRN CCCC[C@H](C)C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001157103183 805777979 /nfs/dbraw/zinc/77/79/79/805777979.db2.gz VTBGUKIOWCTLSS-LBPRGKRZSA-N 0 0 284.396 3.320 20 10 CGCDRN Oc1cc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc(O)c1O ZINC001251244460 805870471 /nfs/dbraw/zinc/87/04/71/805870471.db2.gz GOPUPZBBUAEVOJ-UHFFFAOYSA-N 0 0 294.669 3.139 20 10 CGCDRN CCCC[C@@H](O)CNc1ccccc1OCCC ZINC001252103401 805997129 /nfs/dbraw/zinc/99/71/29/805997129.db2.gz YHVOMGABKPGWHP-CYBMUJFWSA-N 0 0 251.370 3.438 20 10 CGCDRN COc1ncc(Nc2ccc(N)cc2)cc1Br ZINC001159108577 806042640 /nfs/dbraw/zinc/04/26/40/806042640.db2.gz HDGIFNUATVWYDU-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN Nc1ccc(Nc2cnc(-c3ccccc3)cn2)cc1 ZINC001159112753 806043933 /nfs/dbraw/zinc/04/39/33/806043933.db2.gz GPONXVQQBKORDP-UHFFFAOYSA-N 0 0 262.316 3.469 20 10 CGCDRN Cc1ncc(Nc2ccc(N)cc2)cc1Br ZINC001159170315 806055267 /nfs/dbraw/zinc/05/52/67/806055267.db2.gz JSGDMLCHZXGSBH-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN CCOC(=O)c1ncc(Cl)cc1Nc1ccc(N)cc1 ZINC001159310759 806080776 /nfs/dbraw/zinc/08/07/76/806080776.db2.gz AEQNBNUSECBNFK-UHFFFAOYSA-N 0 0 291.738 3.238 20 10 CGCDRN COC(=O)c1cc(Cl)cc(Nc2ccc(N)cc2)c1 ZINC001159485693 806112028 /nfs/dbraw/zinc/11/20/28/806112028.db2.gz QBXUZCYJYYYUPY-UHFFFAOYSA-N 0 0 276.723 3.452 20 10 CGCDRN Cc1cc2nsnc2cc1Nc1ccc(N)cc1 ZINC001159933302 806201549 /nfs/dbraw/zinc/20/15/49/806201549.db2.gz VCGJOVFDBDSMSX-UHFFFAOYSA-N 0 0 256.334 3.326 20 10 CGCDRN Cc1cnnc(NCc2cc3ccccc3cc2O)c1 ZINC001160206747 806235009 /nfs/dbraw/zinc/23/50/09/806235009.db2.gz RMKAQSBHCFLUCV-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN CCOc1cnc(NCc2cc3ccccc3cc2O)nc1 ZINC001160206396 806235152 /nfs/dbraw/zinc/23/51/52/806235152.db2.gz HUXRYERBJCGYKN-UHFFFAOYSA-N 0 0 295.342 3.346 20 10 CGCDRN Cc1cccc(CNc2nccc3ccoc32)c1O ZINC001160764728 806300645 /nfs/dbraw/zinc/30/06/45/806300645.db2.gz MDDZCACUCOBQRE-UHFFFAOYSA-N 0 0 254.289 3.454 20 10 CGCDRN Cc1cc(C)c(CNc2ccnc(C3CC3)n2)c(O)c1 ZINC001160810045 806306334 /nfs/dbraw/zinc/30/63/34/806306334.db2.gz HZWMOLPMWZELEM-UHFFFAOYSA-N 0 0 269.348 3.289 20 10 CGCDRN CCc1ccc(-c2cn(CCc3ccc(N)cc3)nn2)cc1 ZINC001254081057 806339543 /nfs/dbraw/zinc/33/95/43/806339543.db2.gz JOGDIGCUKDWSLT-UHFFFAOYSA-N 0 0 292.386 3.332 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1cscc1C(F)F ZINC001162278759 806547051 /nfs/dbraw/zinc/54/70/51/806547051.db2.gz LJXSMPDRFZGMCN-UHFFFAOYSA-N 0 0 299.298 3.027 20 10 CGCDRN Nc1ccc(CNc2nc3[nH]ccc3cc2Cl)cc1 ZINC001162786441 806665890 /nfs/dbraw/zinc/66/58/90/806665890.db2.gz VYWLCSFXLZXIPX-UHFFFAOYSA-N 0 0 272.739 3.362 20 10 CGCDRN Nc1ccc(CNc2nc(C3CC3)nc3[nH]ccc32)cc1 ZINC001162790229 806667109 /nfs/dbraw/zinc/66/71/09/806667109.db2.gz RDJGYUWBGREKNX-UHFFFAOYSA-N 0 0 279.347 3.030 20 10 CGCDRN Cc1ccc(NCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000037059726 798858155 /nfs/dbraw/zinc/85/81/55/798858155.db2.gz IWWNWAPEQVHKNH-UHFFFAOYSA-N 0 0 258.277 3.221 20 10 CGCDRN CN(Cc1c(O)cccc1Cl)CC(F)(F)F ZINC000132635752 799033189 /nfs/dbraw/zinc/03/31/89/799033189.db2.gz HJVKLISPVZOFFJ-UHFFFAOYSA-N 0 0 253.651 3.040 20 10 CGCDRN C[C@H]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180977819 799112179 /nfs/dbraw/zinc/11/21/79/799112179.db2.gz BQQNKMMYIJWWGN-VWZQRQAESA-N 0 0 289.375 3.054 20 10 CGCDRN C[C@H](NCC(C)(F)F)c1ccc(Br)cc1O ZINC000378793904 799343660 /nfs/dbraw/zinc/34/36/60/799343660.db2.gz OTJYCBRJXBLXFU-ZETCQYMHSA-N 0 0 294.139 3.461 20 10 CGCDRN COc1cc(Cl)cc(CN[C@@H](C)C(F)(F)F)c1O ZINC000389470265 799462102 /nfs/dbraw/zinc/46/21/02/799462102.db2.gz NVAVYPJJZVSLPC-LURJTMIESA-N 0 0 283.677 3.095 20 10 CGCDRN CC1(C)CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000390641450 799473341 /nfs/dbraw/zinc/47/33/41/799473341.db2.gz LCEFMSODBYGAEZ-NSHDSACASA-N 0 0 284.197 3.433 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CS1 ZINC000397927503 799523492 /nfs/dbraw/zinc/52/34/92/799523492.db2.gz KRRGZKYFIYPTML-GZMMTYOYSA-N 0 0 257.786 3.029 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)ccc2O)[C@H](C)CO1 ZINC000403863318 799571947 /nfs/dbraw/zinc/57/19/47/799571947.db2.gz ZXHZBJGGLWCBMZ-MFKMUULPSA-N 0 0 269.772 3.045 20 10 CGCDRN CN(CCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000520885599 799666863 /nfs/dbraw/zinc/66/68/63/799666863.db2.gz FMZKVYKLKHGQDQ-UHFFFAOYSA-N 0 0 255.317 3.094 20 10 CGCDRN CC(C)CC(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406944 799689342 /nfs/dbraw/zinc/68/93/42/799689342.db2.gz TUJYOTCFDAJZHK-VURMDHGXSA-N 0 0 291.391 3.300 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])nc1 ZINC000689394700 799763539 /nfs/dbraw/zinc/76/35/39/799763539.db2.gz DLSZKMMTKIAWIZ-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000695990059 799837637 /nfs/dbraw/zinc/83/76/37/799837637.db2.gz VDFOWAXTTUWZQD-CYBMUJFWSA-N 0 0 273.376 3.321 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(C2CCC2)CC1 ZINC000697425650 799845925 /nfs/dbraw/zinc/84/59/25/799845925.db2.gz DMFGHPDOSGAYBX-UHFFFAOYSA-N 0 0 251.757 3.468 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CCC1=CCCC1 ZINC000700766079 799878880 /nfs/dbraw/zinc/87/88/80/799878880.db2.gz VIVCYZQQJFNBOO-UHFFFAOYSA-N 0 0 253.292 3.260 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C(C)(F)F ZINC000703340467 799923304 /nfs/dbraw/zinc/92/33/04/799923304.db2.gz JURANUXQQIAHIB-UHFFFAOYSA-N 0 0 279.277 3.441 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000704791472 799941650 /nfs/dbraw/zinc/94/16/50/799941650.db2.gz UVIIJNBVRCLKBX-WDEREUQCSA-N 0 0 269.385 3.325 20 10 CGCDRN CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708466983 799989299 /nfs/dbraw/zinc/98/92/99/799989299.db2.gz WWFDGIXHPUWXRI-GHMZBOCLSA-N 0 0 273.348 3.044 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cccc(F)c1 ZINC000708483701 799990032 /nfs/dbraw/zinc/99/00/32/799990032.db2.gz FWXZGBHPJJPUHB-UHFFFAOYSA-N 0 0 267.250 3.099 20 10 CGCDRN CC(C)(C)[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000709000165 800001168 /nfs/dbraw/zinc/00/11/68/800001168.db2.gz KUEYYCQKQBJGMD-AWEZNQCLSA-N 0 0 283.799 3.293 20 10 CGCDRN CC1([NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1 ZINC000715719919 800144204 /nfs/dbraw/zinc/14/42/04/800144204.db2.gz VZXRLSHUVQSYMG-UHFFFAOYSA-N 0 0 288.160 3.326 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000725127112 800375382 /nfs/dbraw/zinc/37/53/82/800375382.db2.gz XADFWWVBTUXSAZ-CQSZACIVSA-N 0 0 283.799 3.076 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc(OC)cc(C)n2)cc1 ZINC000757086582 800380990 /nfs/dbraw/zinc/38/09/90/800380990.db2.gz ABDRNYCWMJLCFX-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1c([O-])cccc1F ZINC000886643448 800545406 /nfs/dbraw/zinc/54/54/06/800545406.db2.gz VSRIQHVPUFCLTK-OCCSQVGLSA-N 0 0 292.398 3.199 20 10 CGCDRN c1cc2nc(-c3ccc(N4CCCC4)cc3)nc-2c[nH]1 ZINC001116391463 802342292 /nfs/dbraw/zinc/34/22/92/802342292.db2.gz CSETZIZMOSVFRJ-UHFFFAOYSA-N 0 0 264.332 3.225 20 10 CGCDRN CC[C@@H]([NH2+]CCC1CCOCC1)c1ccc(F)cc1[O-] ZINC001117113955 802434231 /nfs/dbraw/zinc/43/42/31/802434231.db2.gz XIUKZHXNVKIXAO-OAHLLOKOSA-N 0 0 281.371 3.389 20 10 CGCDRN Cc1cnc(C)nc1NCc1ccc(N2CC=CC2)cc1 ZINC001118335688 802550663 /nfs/dbraw/zinc/55/06/63/802550663.db2.gz OVVBKTDOWXTIQE-UHFFFAOYSA-N 0 0 280.375 3.082 20 10 CGCDRN Cc1ccc(CN(C)C(=O)NCc2ccc(N)cc2)cc1C ZINC001120677652 802760579 /nfs/dbraw/zinc/76/05/79/802760579.db2.gz VIIQGEXMVNKDRF-UHFFFAOYSA-N 0 0 297.402 3.227 20 10 CGCDRN Cc1cc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)no1 ZINC001123073217 802908369 /nfs/dbraw/zinc/90/83/69/802908369.db2.gz KYENBOAAQMGBDQ-UHFFFAOYSA-N 0 0 298.342 3.240 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1cccc(C)c1 ZINC001125760716 803075439 /nfs/dbraw/zinc/07/54/39/803075439.db2.gz FLMHTJIMAKMGTD-SDNWHVSQSA-N 0 0 266.344 3.456 20 10 CGCDRN Cn1ccc2c1ncnc2-c1ccc(Cl)c2c[nH]nc21 ZINC001244377771 803336111 /nfs/dbraw/zinc/33/61/11/803336111.db2.gz IDSKAVZZBLIIIF-UHFFFAOYSA-N 0 0 283.722 3.165 20 10 CGCDRN CSc1ncc(C)cc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001244881869 803561582 /nfs/dbraw/zinc/56/15/82/803561582.db2.gz ZASQXBBOWPKLQL-UHFFFAOYSA-N 0 0 297.383 3.026 20 10 CGCDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC001136622208 803648615 /nfs/dbraw/zinc/64/86/15/803648615.db2.gz AYEQZOBSZMALOZ-OCCSQVGLSA-N 0 0 291.391 3.495 20 10 CGCDRN CCCOc1ccc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001245232052 803670705 /nfs/dbraw/zinc/67/07/05/803670705.db2.gz VQYMRYAGZVHCKO-UHFFFAOYSA-N 0 0 284.359 3.109 20 10 CGCDRN CCCOc1ccc(-c2ccnc3c2ccn3C)cn1 ZINC001245232063 803670780 /nfs/dbraw/zinc/67/07/80/803670780.db2.gz VZSBDRJFTYZOMO-UHFFFAOYSA-N 0 0 267.332 3.424 20 10 CGCDRN CCCOc1ccc(-c2cnc3ccn(C)c3c2)cn1 ZINC001245233102 803671306 /nfs/dbraw/zinc/67/13/06/803671306.db2.gz PIMNVLATZXMWSE-UHFFFAOYSA-N 0 0 267.332 3.424 20 10 CGCDRN CC(C)CNC(=S)NCc1cc2ccccc2cc1O ZINC001245274986 803688754 /nfs/dbraw/zinc/68/87/54/803688754.db2.gz UODYOIMYDAIOJC-UHFFFAOYSA-N 0 0 288.416 3.166 20 10 CGCDRN C[N@H+](Cc1ccc(F)cc1)Cc1c([O-])cccc1F ZINC001137831454 803777493 /nfs/dbraw/zinc/77/74/93/803777493.db2.gz AHRFBBRQKSTZDO-UHFFFAOYSA-N 0 0 263.287 3.302 20 10 CGCDRN Oc1cccc(F)c1CN1CCOC[C@@H]1c1ccccc1 ZINC001137832816 803778143 /nfs/dbraw/zinc/77/81/43/803778143.db2.gz JFOFTRBJOHALBS-MRXNPFEDSA-N 0 0 287.334 3.105 20 10 CGCDRN Oc1cccc(F)c1CN(Cc1ccco1)C1CC1 ZINC001137840311 803779903 /nfs/dbraw/zinc/77/99/03/803779903.db2.gz XBEUNKSOBOZRIJ-UHFFFAOYSA-N 0 0 261.296 3.289 20 10 CGCDRN CN(Cc1ccccc1O)Cc1c(F)ccc(F)c1F ZINC001137932299 803801615 /nfs/dbraw/zinc/80/16/15/803801615.db2.gz RQDVGPUOCMERCY-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN COc1ccc(CC[N@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC001138128518 803864091 /nfs/dbraw/zinc/86/40/91/803864091.db2.gz OZGZNFVQAXXTEV-UHFFFAOYSA-N 0 0 289.350 3.214 20 10 CGCDRN CN1CCCc2cc(C[NH+]3CCC(F)(F)CC3)ccc21 ZINC001138354768 803901253 /nfs/dbraw/zinc/90/12/53/803901253.db2.gz UEPDXXQHHACTEU-UHFFFAOYSA-N 0 0 280.362 3.300 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001139685552 804252299 /nfs/dbraw/zinc/25/22/99/804252299.db2.gz NUGLNACBPDTSBN-GHMZBOCLSA-N 0 0 267.319 3.292 20 10 CGCDRN Cc1ccc(-c2noc(-c3csnn3)n2)cc1Cl ZINC001212361750 815010729 /nfs/dbraw/zinc/01/07/29/815010729.db2.gz DRQNPCDESBJRRY-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN CC1(C)C[N@H+](Cc2ccc(Cl)cc2O)[C@](C)(CO)C1 ZINC001140462275 804440961 /nfs/dbraw/zinc/44/09/61/804440961.db2.gz DCZKIKSUTSLGDF-HNNXBMFYSA-N 0 0 283.799 3.029 20 10 CGCDRN C[C@H]1c2cccn2CCN1Cc1ccc(Cl)cc1O ZINC001140465873 804443904 /nfs/dbraw/zinc/44/39/04/804443904.db2.gz STRBFJNKFRUYQJ-NSHDSACASA-N 0 0 276.767 3.424 20 10 CGCDRN C[C@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)CCC1(F)F ZINC001140582076 804466217 /nfs/dbraw/zinc/46/62/17/804466217.db2.gz BNWQFPYOBKTXRH-QMMMGPOBSA-N 0 0 277.261 3.148 20 10 CGCDRN Cc1ccc(O)c(CN2Cc3ccc(F)cc3C2)c1 ZINC001140621318 804476754 /nfs/dbraw/zinc/47/67/54/804476754.db2.gz VOBXVLFRHQFVMV-UHFFFAOYSA-N 0 0 257.308 3.356 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)CC2CC2)c(Cl)c1 ZINC001140921388 804548694 /nfs/dbraw/zinc/54/86/94/804548694.db2.gz CUQDGBQEDPYEAC-UHFFFAOYSA-N 0 0 252.789 3.248 20 10 CGCDRN COc1ccccc1CC[N@H+](C)Cc1ccc(C)cc1O ZINC001140950995 804557762 /nfs/dbraw/zinc/55/77/62/804557762.db2.gz SJGXMXZITYZOEV-UHFFFAOYSA-N 0 0 285.387 3.384 20 10 CGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])C1CCCCC1 ZINC001142502522 804726889 /nfs/dbraw/zinc/72/68/89/804726889.db2.gz QTTFZHLVASJGSM-UHFFFAOYSA-N 0 0 255.308 3.435 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001142508896 804728034 /nfs/dbraw/zinc/72/80/34/804728034.db2.gz PCMGYPUXRPSGJY-HNNXBMFYSA-N 0 0 290.313 3.403 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001142520123 804730727 /nfs/dbraw/zinc/73/07/27/804730727.db2.gz BPRPWTAPKZSSBP-LBPRGKRZSA-N 0 0 290.313 3.055 20 10 CGCDRN CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524587 804731498 /nfs/dbraw/zinc/73/14/98/804731498.db2.gz BZHUYVRVTCMLJE-LLVKDONJSA-N 0 0 255.308 3.435 20 10 CGCDRN CC(C)(C)c1cccc(CN2C[C@@H](F)[C@H](F)C2)c1O ZINC001143104683 804802228 /nfs/dbraw/zinc/80/22/28/804802228.db2.gz XFKFFBOKLMKKNU-CHWSQXEVSA-N 0 0 269.335 3.182 20 10 CGCDRN Cc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c(C)c1 ZINC001247959782 804856366 /nfs/dbraw/zinc/85/63/66/804856366.db2.gz XMKPDRDNTFVIDK-UHFFFAOYSA-N 0 0 296.326 3.355 20 10 CGCDRN CC1(C)C[C@@]1(C)CNC(=O)NCc1cc(Cl)ccc1O ZINC001248169930 804890051 /nfs/dbraw/zinc/89/00/51/804890051.db2.gz MYBYKBUQURULSP-HNNXBMFYSA-N 0 0 296.798 3.281 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2CC(F)C2)cc1Cl ZINC001248881046 805030039 /nfs/dbraw/zinc/03/00/39/805030039.db2.gz PDANLBXWMCNAKD-UHFFFAOYSA-N 0 0 271.763 3.497 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2cc[nH]c2)cc1 ZINC001146885229 805095280 /nfs/dbraw/zinc/09/52/80/805095280.db2.gz OPTRCICZQXFLBJ-UHFFFAOYSA-N 0 0 291.354 3.444 20 10 CGCDRN CCOc1cc(Nc2ccc(N)cc2)ccc1OC ZINC001212543356 815059227 /nfs/dbraw/zinc/05/92/27/815059227.db2.gz IXNQWIJGFRYVFT-UHFFFAOYSA-N 0 0 258.321 3.420 20 10 CGCDRN CC1(C)C(C)(C)C1(C)C(=O)NCc1ccccc1O ZINC001150537234 805259902 /nfs/dbraw/zinc/25/99/02/805259902.db2.gz YYAGRHIECFAWJW-UHFFFAOYSA-N 0 0 261.365 3.081 20 10 CGCDRN Oc1cccc(Nc2cc3ccc(F)cc3[nH]2)c1O ZINC001249878902 805274299 /nfs/dbraw/zinc/27/42/99/805274299.db2.gz OYNHVDPDDQEOFQ-UHFFFAOYSA-N 0 0 258.252 3.462 20 10 CGCDRN C[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1O ZINC001151892633 805321641 /nfs/dbraw/zinc/32/16/41/805321641.db2.gz UUXDGAKWFDHQLS-ZDUSSCGKSA-N 0 0 297.354 3.233 20 10 CGCDRN Cc1cc2[nH]c(C(=O)NCc3ccccc3O)cc2s1 ZINC001154006857 805426067 /nfs/dbraw/zinc/42/60/67/805426067.db2.gz VJSCLCRATOFZFZ-UHFFFAOYSA-N 0 0 286.356 3.173 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2onc3ccccc32)c(O)c1 ZINC001154379815 805453539 /nfs/dbraw/zinc/45/35/39/805453539.db2.gz RHYRKOCZBYVMDX-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN Oc1ccc(-c2nnc(CCCc3ccccc3)o2)cc1O ZINC001257746646 807219508 /nfs/dbraw/zinc/21/95/08/807219508.db2.gz HRXQXIULUDKBEE-UHFFFAOYSA-N 0 0 296.326 3.323 20 10 CGCDRN Cc1ccnc(-c2noc(-c3nnsc3C(C)C)n2)c1 ZINC001212687221 815103370 /nfs/dbraw/zinc/10/33/70/815103370.db2.gz IBAFJEBQNJKABZ-UHFFFAOYSA-N 0 0 287.348 3.082 20 10 CGCDRN CC(C)CCc1nnc(-c2ccc(O)c(O)c2Cl)o1 ZINC001258356507 807426102 /nfs/dbraw/zinc/42/61/02/807426102.db2.gz JBNJCJBEEOFQLI-UHFFFAOYSA-N 0 0 282.727 3.390 20 10 CGCDRN CNc1ccccc1NCc1ccc(CC(=O)OC)cc1 ZINC001168568201 807446465 /nfs/dbraw/zinc/44/64/65/807446465.db2.gz DCVZCZUFZOEPEK-UHFFFAOYSA-N 0 0 284.359 3.056 20 10 CGCDRN COc1c(C)nc(Cl)cc1NCc1ccc(O)c(O)c1 ZINC001169991016 807733979 /nfs/dbraw/zinc/73/39/79/807733979.db2.gz VSXXODCQUNNJGP-UHFFFAOYSA-N 0 0 294.738 3.075 20 10 CGCDRN Oc1ccc(CNc2cc3nc(Cl)ccc3[nH]2)cc1O ZINC001169990125 807734276 /nfs/dbraw/zinc/73/42/76/807734276.db2.gz BAGLLWVJUFWYJW-UHFFFAOYSA-N 0 0 289.722 3.240 20 10 CGCDRN Cc1ncc(Cl)cc1NCc1ccc(O)c(O)c1 ZINC001169996898 807736509 /nfs/dbraw/zinc/73/65/09/807736509.db2.gz LQZYTOPXIPCDBL-UHFFFAOYSA-N 0 0 264.712 3.067 20 10 CGCDRN CCOc1ccc(N(C)Cc2cn(C)nc2C(F)F)cc1 ZINC001262015262 807806668 /nfs/dbraw/zinc/80/66/68/807806668.db2.gz HGPIFYKBTMTIRW-UHFFFAOYSA-N 0 0 295.333 3.393 20 10 CGCDRN Oc1cc2ccccc2cc1C[NH2+][C@H]1CCCOCC1 ZINC001170791801 807907702 /nfs/dbraw/zinc/90/77/02/807907702.db2.gz FDLJPUGQIHYTEL-INIZCTEOSA-N 0 0 271.360 3.204 20 10 CGCDRN Cc1sc(Cl)nc1C(=O)N[C@H](C)c1ccccc1O ZINC001171723538 808125739 /nfs/dbraw/zinc/12/57/39/808125739.db2.gz TUKRGBSIJUGFHA-SSDOTTSWSA-N 0 0 296.779 3.302 20 10 CGCDRN Cc1n[nH]c(C)c1Nc1ccccc1C(=O)c1ccncc1 ZINC001174217496 808906005 /nfs/dbraw/zinc/90/60/05/808906005.db2.gz KXBKRJFREMIKGH-UHFFFAOYSA-N 0 0 292.342 3.396 20 10 CGCDRN CC(C)CCn1cc(N(C)c2ccc(N)cc2)cn1 ZINC001174418600 809011288 /nfs/dbraw/zinc/01/12/88/809011288.db2.gz YQQRHVSRZHFODC-UHFFFAOYSA-N 0 0 258.369 3.279 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)C(F)F)cc1 ZINC001288271722 809357092 /nfs/dbraw/zinc/35/70/92/809357092.db2.gz YEMXELQTTJFFNU-LBPRGKRZSA-N 0 0 292.329 3.478 20 10 CGCDRN O=C(N[C@@H](c1cccs1)C1CC1)c1cccc(O)c1O ZINC001290534661 809408891 /nfs/dbraw/zinc/40/88/91/809408891.db2.gz YRHSXFDCEYEGFX-CYBMUJFWSA-N 0 0 289.356 3.040 20 10 CGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC=C(F)C1 ZINC001295664246 809491146 /nfs/dbraw/zinc/49/11/46/809491146.db2.gz QOYCEAYHFNFKCZ-UHFFFAOYSA-N 0 0 293.319 3.012 20 10 CGCDRN C[C@H]1CC[C@@](C)(C(=O)NCc2cc(O)ccc2O)C1(C)C ZINC001303225938 809606301 /nfs/dbraw/zinc/60/63/01/809606301.db2.gz TVZACTCNBPOOTR-GTNSWQLSSA-N 0 0 291.391 3.176 20 10 CGCDRN Nc1ccc(N(CCO)c2cccc(C3CC3)c2)cc1 ZINC001176724418 809751092 /nfs/dbraw/zinc/75/10/92/809751092.db2.gz UFAISMZWSSSQHD-UHFFFAOYSA-N 0 0 268.360 3.277 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1cncc2ccccc21 ZINC001178413237 809864777 /nfs/dbraw/zinc/86/47/77/809864777.db2.gz PGPZVUMUBKLUHV-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN O=C(/C=C/c1cc2ccccc2o1)NCc1ccccc1O ZINC001178760626 809886474 /nfs/dbraw/zinc/88/64/74/809886474.db2.gz OJTGXOQJDGSQKS-MDZDMXLPSA-N 0 0 293.322 3.468 20 10 CGCDRN O=C(NCc1c(O)cccc1O)c1ccsc1C(F)F ZINC001178917246 809894387 /nfs/dbraw/zinc/89/43/87/809894387.db2.gz MSXZXIYWDFYWPT-UHFFFAOYSA-N 0 0 299.298 3.027 20 10 CGCDRN Oc1c(F)cc(F)cc1CNc1cnc2[nH]ccc2c1 ZINC001179588421 809930989 /nfs/dbraw/zinc/93/09/89/809930989.db2.gz DGDNQQPQWIFKBS-UHFFFAOYSA-N 0 0 275.258 3.110 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)N=NC2 ZINC001179687112 809937009 /nfs/dbraw/zinc/93/70/09/809937009.db2.gz AQXLIUPACUSADP-QHHAFSJGSA-N 0 0 295.298 3.347 20 10 CGCDRN Cc1cc(C)c(CNC(=O)C(C)(C)C(F)(F)F)c(O)c1 ZINC001180451141 810002767 /nfs/dbraw/zinc/00/27/67/810002767.db2.gz SZUKADZMQLRSBE-UHFFFAOYSA-N 0 0 289.297 3.214 20 10 CGCDRN CC(C)CCC[C@H](C)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182155632 810096222 /nfs/dbraw/zinc/09/62/22/810096222.db2.gz KDQDNYQUSWCZGB-ZDUSSCGKSA-N 0 0 293.407 3.361 20 10 CGCDRN CC[C@H](C)[C@H](CN(C)c1ccc(OC)cc1)OC ZINC001182734462 810122063 /nfs/dbraw/zinc/12/20/63/810122063.db2.gz VRNMUFRFZVCKFG-WFASDCNBSA-N 0 0 251.370 3.193 20 10 CGCDRN C[C@@H](NC(=O)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001185005011 810229080 /nfs/dbraw/zinc/22/90/80/810229080.db2.gz YMCGEXJQOCXRGG-CYBMUJFWSA-N 0 0 296.370 3.221 20 10 CGCDRN COc1ccc(N(C)CC[C@@H](O)c2ccccc2)cc1F ZINC001191891860 810754114 /nfs/dbraw/zinc/75/41/14/810754114.db2.gz PKWVNUVBFBXKPQ-MRXNPFEDSA-N 0 0 289.350 3.394 20 10 CGCDRN CCCC[C@H](C)NC(=O)N1CCc2cccc(O)c2C1 ZINC001193052381 810848658 /nfs/dbraw/zinc/84/86/58/810848658.db2.gz JFUZTOQRHVPYMZ-LBPRGKRZSA-N 0 0 276.380 3.039 20 10 CGCDRN 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Cn1cnc(/C=C\C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC001533800425 938092295 /nfs/dbraw/zinc/09/22/95/938092295.db2.gz JCCCITDFDPACMP-KHPPLWFESA-N 0 0 295.386 3.267 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2c1cccc2C ZINC001535670382 938102477 /nfs/dbraw/zinc/10/24/77/938102477.db2.gz ZOZXQNFVKYGJJF-KAMYIIQDSA-N 0 0 278.355 3.383 20 10 CGCDRN CCCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001540472010 938131538 /nfs/dbraw/zinc/13/15/38/938131538.db2.gz ZGUQYJYBUNTENK-UHFFFAOYSA-N 0 0 284.359 3.046 20 10 CGCDRN C/C(=C/C(=O)NCc1ccc(O)c(O)c1)c1ccccc1C ZINC001545639288 938150252 /nfs/dbraw/zinc/15/02/52/938150252.db2.gz JMEOVDITRNCQDK-LCYFTJDESA-N 0 0 297.354 3.126 20 10 CGCDRN C=C=CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001556751098 938205367 /nfs/dbraw/zinc/20/53/67/938205367.db2.gz IWTTWIMOKWIVFV-UHFFFAOYSA-N 0 0 280.371 3.473 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C\c2cccs2)c1 ZINC001557552735 938210674 /nfs/dbraw/zinc/21/06/74/938210674.db2.gz MKAVCJCAABQPML-ALCCZGGFSA-N 0 0 273.357 3.092 20 10 CGCDRN C=Cc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001559037109 938219209 /nfs/dbraw/zinc/21/92/09/938219209.db2.gz JDSMBRJAAKMTLJ-UHFFFAOYSA-N 0 0 271.291 3.104 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C=CCCC1 ZINC001560381509 938256211 /nfs/dbraw/zinc/25/62/11/938256211.db2.gz DHXGPJWEPDDRHW-LLVKDONJSA-N 0 0 255.720 3.383 20 10 CGCDRN Oc1cccc2c1CN(Cc1cccc(O)c1Cl)C2 ZINC001560978584 938287828 /nfs/dbraw/zinc/28/78/28/938287828.db2.gz QWWAFKDOWBAIJP-UHFFFAOYSA-N 0 0 275.735 3.267 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001561016207 938289694 /nfs/dbraw/zinc/28/96/94/938289694.db2.gz QIABVMIQIUIIQH-FGWVZKOKSA-N 0 0 267.369 3.048 20 10 CGCDRN CCc1cccc(C[NH2+][C@H](C(=O)[O-])c2cccc(C)c2)c1O ZINC001593641910 953649939 /nfs/dbraw/zinc/64/99/39/953649939.db2.gz ACSMYJSCPHVOSH-INIZCTEOSA-N 0 0 299.370 3.179 20 10 CGCDRN CCc1cccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c1O ZINC001593642772 953664096 /nfs/dbraw/zinc/66/40/96/953664096.db2.gz WIXCKWGPIHOZGY-AWEZNQCLSA-N 0 0 293.407 3.324 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCc3c2cccc3F)c1 ZINC000588463292 957691418 /nfs/dbraw/zinc/69/14/18/957691418.db2.gz LYDKGUINJYVKSU-WAYWQWQTSA-N 0 0 282.318 3.132 20 10 CGCDRN C[C@H](CNC(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC001565359693 960769172 /nfs/dbraw/zinc/76/91/72/960769172.db2.gz ORRSBHZUQBCDSX-SNVBAGLBSA-N 0 0 282.359 3.013 20 10 CGCDRN CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC001570340062 961950041 /nfs/dbraw/zinc/95/00/41/961950041.db2.gz TXSSPHMVCAGATP-CHWSQXEVSA-N 0 0 291.391 3.434 20 10 CGCDRN CC[C@H](C)Oc1cccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC001577005511 962507662 /nfs/dbraw/zinc/50/76/62/962507662.db2.gz DBSFJGKUFHHCAL-LBPRGKRZSA-N 0 0 299.374 3.022 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1O ZINC001589128432 963351153 /nfs/dbraw/zinc/35/11/53/963351153.db2.gz JLQFKDAZGNWDSA-SNVBAGLBSA-N 0 0 289.306 3.080 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594352553 999334926 /nfs/dbraw/zinc/33/49/26/999334926.db2.gz IQPXTYKNBSZHQM-WZRBSPASSA-N 0 0 277.364 3.320 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccoc1 ZINC000053662015 345124394 /nfs/dbraw/zinc/12/43/94/345124394.db2.gz OOEUIAQKJQRGDO-UHFFFAOYSA-N 0 0 272.348 3.008 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2cncs2)c2ccccc21 ZINC000493254227 244126044 /nfs/dbraw/zinc/12/60/44/244126044.db2.gz ITBCVCUXSPZOEO-JMEBYUIHSA-N 0 0 270.357 3.307 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)c(F)c1[O-] ZINC000187733223 296157856 /nfs/dbraw/zinc/15/78/56/296157856.db2.gz XYQAHRZOSFDUBD-XAXIDRKRSA-N 0 0 297.345 3.135 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000273438554 296158686 /nfs/dbraw/zinc/15/86/86/296158686.db2.gz XVXAVERVYPMJRW-GHMZBOCLSA-N 0 0 287.319 3.107 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)SC ZINC000134127275 371305988 /nfs/dbraw/zinc/30/59/88/371305988.db2.gz LUYQPIKXUJXZQO-LBPRGKRZSA-N 0 0 296.436 3.065 20 10 CGCDRN C[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000287432889 371656947 /nfs/dbraw/zinc/65/69/47/371656947.db2.gz SZDZLTZOFNMGMC-QPUJVOFHSA-N 0 0 259.271 3.384 20 10 CGCDRN COCCc1ccnc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000287678313 371693387 /nfs/dbraw/zinc/69/33/87/371693387.db2.gz WCRULPOFYWTIEJ-CYBMUJFWSA-N 0 0 286.375 3.458 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1O ZINC000155990875 371956722 /nfs/dbraw/zinc/95/67/22/371956722.db2.gz RYNOKULOAIBPEQ-XRGAULLZSA-N 0 0 275.392 3.246 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000159932150 372194221 /nfs/dbraw/zinc/19/42/21/372194221.db2.gz RVFNMFSVTNVUEV-CMPLNLGQSA-N 0 0 267.344 3.140 20 10 CGCDRN CC(C)(CCCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293691283 372450904 /nfs/dbraw/zinc/45/09/04/372450904.db2.gz SGSJPXMSXNNZQI-UHFFFAOYSA-N 0 0 289.778 3.073 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000294254210 372628280 /nfs/dbraw/zinc/62/82/80/372628280.db2.gz QEMDVKIAZKVHLT-PGUXBMHVSA-N 0 0 269.360 3.243 20 10 CGCDRN Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(F)c1)CC2 ZINC000295969596 372976524 /nfs/dbraw/zinc/97/65/24/372976524.db2.gz MQITWQVHQKWXKL-AWEZNQCLSA-N 0 0 257.308 3.308 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@@H]2CCNC(=O)CC2)s1 ZINC000296095851 373021732 /nfs/dbraw/zinc/02/17/32/373021732.db2.gz UHQSNAVWGLQASU-JTQLQIEISA-N 0 0 298.477 3.449 20 10 CGCDRN Nc1ccc(CNC(=O)c2csc3c2CCCC3)cc1 ZINC000296875915 373251098 /nfs/dbraw/zinc/25/10/98/373251098.db2.gz FEJUZLOMMGIJQS-UHFFFAOYSA-N 0 0 286.400 3.139 20 10 CGCDRN CC(C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298389026 373311954 /nfs/dbraw/zinc/31/19/54/373311954.db2.gz SXYUGFPNSJMGAV-UHFFFAOYSA-N 0 0 262.397 3.146 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C ZINC000298699253 373385189 /nfs/dbraw/zinc/38/51/89/373385189.db2.gz DXENMHSYMLFHQI-UHFFFAOYSA-N 0 0 291.439 3.471 20 10 CGCDRN CC(C)(C)c1cnc(SCCn2cccn2)s1 ZINC000177122912 373655152 /nfs/dbraw/zinc/65/51/52/373655152.db2.gz GTTRQJHVAVGNOQ-UHFFFAOYSA-N 0 0 267.423 3.429 20 10 CGCDRN C1=CCN(c2ccc(CNc3nc(C4CC4)ns3)cc2)C1 ZINC000301594980 373787345 /nfs/dbraw/zinc/78/73/45/373787345.db2.gz YRMHNBCAWOPLCG-UHFFFAOYSA-N 0 0 298.415 3.404 20 10 CGCDRN CN(Cc1ccccc1O)c1cc(Br)ccn1 ZINC000302609206 373905770 /nfs/dbraw/zinc/90/57/70/373905770.db2.gz DQAWMENOEAGYAM-UHFFFAOYSA-N 0 0 293.164 3.186 20 10 CGCDRN CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415705 374001766 /nfs/dbraw/zinc/00/17/66/374001766.db2.gz DUOLJHWUTPCYIP-IUODEOHRSA-N 0 0 296.842 3.208 20 10 CGCDRN CCC[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181187328 374090806 /nfs/dbraw/zinc/09/08/06/374090806.db2.gz NHWDXSUYQFLHMO-KGXGESDWSA-N 0 0 289.375 3.150 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)C1CCCCCCC1 ZINC000182540990 374287493 /nfs/dbraw/zinc/28/74/93/374287493.db2.gz WCUCVEFQIXOYSQ-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185564401 374688643 /nfs/dbraw/zinc/68/86/43/374688643.db2.gz ZFHWHNUWTKVDRT-WDEREUQCSA-N 0 0 269.360 3.386 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CC1CC1 ZINC000471904571 375008569 /nfs/dbraw/zinc/00/85/69/375008569.db2.gz FFUKCIYQQYRAAE-LBPRGKRZSA-N 0 0 299.418 3.475 20 10 CGCDRN CC(C)=CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472184328 375009857 /nfs/dbraw/zinc/00/98/57/375009857.db2.gz ZLBOAMGJQJHKLF-UHFFFAOYSA-N 0 0 285.391 3.252 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1C ZINC000472230536 375011105 /nfs/dbraw/zinc/01/11/05/375011105.db2.gz PCLCCJUBKFGYTC-LBPRGKRZSA-N 0 0 285.391 3.181 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187760972 375089655 /nfs/dbraw/zinc/08/96/55/375089655.db2.gz WUHNHZJELWNIHR-UWVGGRQHSA-N 0 0 285.334 3.136 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000188264441 375186616 /nfs/dbraw/zinc/18/66/16/375186616.db2.gz ZUAGNBXNFFUHCP-HNNXBMFYSA-N 0 0 295.810 3.437 20 10 CGCDRN Cc1cc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)ccn1 ZINC000492568454 375446100 /nfs/dbraw/zinc/44/61/00/375446100.db2.gz RLHVPOGPGRQWAL-XQRVVYSFSA-N 0 0 287.750 3.115 20 10 CGCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1ncccc1C ZINC000492612566 375447549 /nfs/dbraw/zinc/44/75/49/375447549.db2.gz BCVMRXXDVXAQCW-FPLPWBNLSA-N 0 0 287.388 3.221 20 10 CGCDRN C[C@H]([NH2+]CCOc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191184375 375592235 /nfs/dbraw/zinc/59/22/35/375592235.db2.gz ZQZMFNBDMQKHMM-NSHDSACASA-N 0 0 293.313 3.400 20 10 CGCDRN C[C@H]([NH2+]CCCOCC1CC1)c1ccc(F)c(F)c1[O-] ZINC000191188596 375592694 /nfs/dbraw/zinc/59/26/94/375592694.db2.gz VHICPKVVQQHHSB-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000223914520 376266209 /nfs/dbraw/zinc/26/62/09/376266209.db2.gz ZCAJPSVCVYJQHE-LRDDRELGSA-N 0 0 290.432 3.198 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000223914348 376266649 /nfs/dbraw/zinc/26/66/49/376266649.db2.gz ZCAJPSVCVYJQHE-MLGOLLRUSA-N 0 0 290.432 3.198 20 10 CGCDRN C[C@@H]1CC/C(=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000267859591 378046434 /nfs/dbraw/zinc/04/64/34/378046434.db2.gz NPEHLZHTWIJPJB-RGHBXIHOSA-N 0 0 286.419 3.457 20 10 CGCDRN CCOc1ccc(N(CC)Cc2ncc(C)o2)cc1 ZINC000266730801 378025495 /nfs/dbraw/zinc/02/54/95/378025495.db2.gz KMKCHICEDBYLGH-UHFFFAOYSA-N 0 0 260.337 3.408 20 10 CGCDRN COc1ccccc1[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000271458853 378494111 /nfs/dbraw/zinc/49/41/11/378494111.db2.gz WRFKBPHRNFWNNN-AWEZNQCLSA-N 0 0 283.371 3.390 20 10 CGCDRN CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000271844922 378510224 /nfs/dbraw/zinc/51/02/24/378510224.db2.gz UOLSMLGBSORPGJ-UHFFFAOYSA-N 0 0 296.842 3.350 20 10 CGCDRN COCC[N@H+](Cc1ccc(C)o1)Cc1cccc(F)c1[O-] ZINC000272215637 378587214 /nfs/dbraw/zinc/58/72/14/378587214.db2.gz BCGGFHVRDQOULU-UHFFFAOYSA-N 0 0 293.338 3.081 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000273394035 378743750 /nfs/dbraw/zinc/74/37/50/378743750.db2.gz LOBQPZHYMOICDF-CQDKDKBSSA-N 0 0 294.826 3.323 20 10 CGCDRN CCOC(CC[NH2+][C@H](CC)c1ccc(F)cc1[O-])OCC ZINC000286378608 380205837 /nfs/dbraw/zinc/20/58/37/380205837.db2.gz AOGNBCAKRZBLQI-CQSZACIVSA-N 0 0 299.386 3.361 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000285532761 380150528 /nfs/dbraw/zinc/15/05/28/380150528.db2.gz FOOBYXNTKIZUDO-DOTOQJQBSA-N 0 0 289.350 3.306 20 10 CGCDRN Cc1cc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)no1 ZINC000362379433 381965206 /nfs/dbraw/zinc/96/52/06/381965206.db2.gz IIMVPLKLNSCKHH-KRWDZBQOSA-N 0 0 285.391 3.386 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCC12CCCCC2 ZINC000365778220 382293783 /nfs/dbraw/zinc/29/37/83/382293783.db2.gz ORTHKYKEBQZUON-UHFFFAOYSA-N 0 0 275.348 3.037 20 10 CGCDRN COc1cc(Cl)cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1O ZINC000282175432 392284270 /nfs/dbraw/zinc/28/42/70/392284270.db2.gz FFZHHQXVAQGNLZ-MFKMUULPSA-N 0 0 299.798 3.054 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@@H](O)CC)c1cccc(Cl)c1[O-] ZINC000287273739 392395507 /nfs/dbraw/zinc/39/55/07/392395507.db2.gz BCOYFBVIWLCOKF-GXFFZTMASA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)CC(F)F ZINC000412306778 392999434 /nfs/dbraw/zinc/99/94/34/392999434.db2.gz PQVSLSROADJZCK-JTQLQIEISA-N 0 0 294.345 3.394 20 10 CGCDRN Cn1c2ccc(OCC3(C)COC3)cc2c2c1CCCC2 ZINC000647164491 393364979 /nfs/dbraw/zinc/36/49/79/393364979.db2.gz XKZUGYXJNZCZJR-UHFFFAOYSA-N 0 0 285.387 3.472 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ccon1 ZINC000270828165 286389074 /nfs/dbraw/zinc/38/90/74/286389074.db2.gz CGUXBCQJZXMESN-UHFFFAOYSA-N 0 0 258.321 3.026 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273586043 287034464 /nfs/dbraw/zinc/03/44/64/287034464.db2.gz NTSWKAOGNMAGCR-QMTHXVAHSA-N 0 0 296.392 3.237 20 10 CGCDRN Oc1ccc(CNc2ccc3[nH]ccc3c2)cc1O ZINC000020132357 171020721 /nfs/dbraw/zinc/02/07/21/171020721.db2.gz MSDFXTADAGIGFA-UHFFFAOYSA-N 0 0 254.289 3.191 20 10 CGCDRN COc1cc(F)ccc1NCc1cc(C)ccc1O ZINC000071408509 176156706 /nfs/dbraw/zinc/15/67/06/176156706.db2.gz PLCUOQLSQLGQOG-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN Cc1nc(C(=O)NCc2c(C)c3ccccc3n2C)c(C)o1 ZINC000352079863 228180928 /nfs/dbraw/zinc/18/09/28/228180928.db2.gz QMOIHAMAZLFBML-UHFFFAOYSA-N 0 0 297.358 3.022 20 10 CGCDRN CC[C@@H](C)[C@H](C)N(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000156523866 261125253 /nfs/dbraw/zinc/12/52/53/261125253.db2.gz BRHQFGNUQCHTOJ-OLZOCXBDSA-N 0 0 274.408 3.237 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000163642894 261324453 /nfs/dbraw/zinc/32/44/53/261324453.db2.gz SVFFIXDHBQDGQW-CQSZACIVSA-N 0 0 282.387 3.173 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1[O-] ZINC000185650727 262064327 /nfs/dbraw/zinc/06/43/27/262064327.db2.gz DCMNNAQYWWXELE-BNOWGMLFSA-N 0 0 280.387 3.055 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185605993 262306480 /nfs/dbraw/zinc/30/64/80/262306480.db2.gz ISLXEAJDIJBENL-ZIAGYGMSSA-N 0 0 265.397 3.150 20 10 CGCDRN Cc1cc(O)c(CN2C[C@H](CO)c3ccccc32)cc1C ZINC000294057012 265006113 /nfs/dbraw/zinc/00/61/13/265006113.db2.gz XKUCGKBTJZKSHN-OAHLLOKOSA-N 0 0 283.371 3.105 20 10 CGCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccccc1 ZINC000368492022 267177529 /nfs/dbraw/zinc/17/75/29/267177529.db2.gz YRAGMARIWQSTLH-UHFFFAOYSA-N 0 0 293.326 3.322 20 10 CGCDRN CC[C@H]([NH2+]CCC[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287164648 288040896 /nfs/dbraw/zinc/04/08/96/288040896.db2.gz UGJMFKVEECNPPB-MFKMUULPSA-N 0 0 271.788 3.247 20 10 CGCDRN CC[C@H]([NH2+]Cc1nccn1C)c1cccc(Cl)c1[O-] ZINC000287816003 288051241 /nfs/dbraw/zinc/05/12/41/288051241.db2.gz UXSGHIYMMVIDJO-LBPRGKRZSA-N 0 0 279.771 3.020 20 10 CGCDRN CC[C@@H]([NH2+]CCCCCO)c1cccc(Cl)c1[O-] ZINC000287043317 280186253 /nfs/dbraw/zinc/18/62/53/280186253.db2.gz MLJPGSOAPSTSJJ-CYBMUJFWSA-N 0 0 271.788 3.249 20 10 CGCDRN Cc1cc(F)ccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000263764366 280528451 /nfs/dbraw/zinc/52/84/51/280528451.db2.gz ZKOXFRJOSNGCQK-GHXNOFRVSA-N 0 0 293.388 3.498 20 10 CGCDRN CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278257823 280844557 /nfs/dbraw/zinc/84/45/57/280844557.db2.gz NHLAVZUUWLJWSY-JGVFFNPUSA-N 0 0 278.179 3.121 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/nfs/dbraw/zinc/83/15/57/625831557.db2.gz ANIWVFCEOJDHFW-VQHVLOKHSA-N 0 0 276.332 3.235 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922169003 625978743 /nfs/dbraw/zinc/97/87/43/625978743.db2.gz QHCRYTMVIFEYKF-CYBMUJFWSA-N 0 0 285.391 3.079 20 10 CGCDRN CC(C)(C)c1nc(COC(=O)C2=CC(=O)CS2)co1 ZINC000922441034 626005819 /nfs/dbraw/zinc/00/58/19/626005819.db2.gz VIUCUWQJUIBARC-UHFFFAOYSA-N 0 0 281.333 3.096 20 10 CGCDRN CCCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873913006 634493093 /nfs/dbraw/zinc/49/30/93/634493093.db2.gz NQASQYYOLRFQTE-UHFFFAOYSA-N 0 0 276.340 3.159 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCCCCC2)cc1 ZINC000873885236 634488594 /nfs/dbraw/zinc/48/85/94/634488594.db2.gz JSKOIJSFNJMZEZ-UHFFFAOYSA-N 0 0 288.351 3.255 20 10 CGCDRN CCOC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000788984323 626357868 /nfs/dbraw/zinc/35/78/68/626357868.db2.gz KOVWYBYLBPXLCK-QMTHXVAHSA-N 0 0 287.350 3.382 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000808094841 626358898 /nfs/dbraw/zinc/35/88/98/626358898.db2.gz GKLZONOKGSHGFK-OLZOCXBDSA-N 0 0 296.407 3.320 20 10 CGCDRN CN1CCc2cc(/C=C3/C(=O)Nc4ccccc43)ccc21 ZINC000751526699 626394127 /nfs/dbraw/zinc/39/41/27/626394127.db2.gz OCOLLCUIXSKPJV-RVDMUPIBSA-N 0 0 276.339 3.172 20 10 CGCDRN CS/C=C\C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751566549 626396612 /nfs/dbraw/zinc/39/66/12/626396612.db2.gz RDASNRGVVANUHD-XFXZXTDPSA-N 0 0 290.432 3.170 20 10 CGCDRN COc1ccc(N(C)CCOc2ccccc2)c(OC)c1 ZINC000752125996 626419630 /nfs/dbraw/zinc/41/96/30/626419630.db2.gz NRPMXPIPBDPQHJ-UHFFFAOYSA-N 0 0 287.359 3.219 20 10 CGCDRN CCC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874011506 634504352 /nfs/dbraw/zinc/50/43/52/634504352.db2.gz PHPAMGCAAYNOMY-JTQLQIEISA-N 0 0 276.340 3.110 20 10 CGCDRN C[C@@H]1CSCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000754156536 626561576 /nfs/dbraw/zinc/56/15/76/626561576.db2.gz SDYFYTIFLQUISD-VIFPVBQESA-N 0 0 289.803 3.370 20 10 CGCDRN C[C@@H]1CSCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000754156848 626561722 /nfs/dbraw/zinc/56/17/22/626561722.db2.gz WDMXAQHBHWXOAF-VIFPVBQESA-N 0 0 289.803 3.370 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCc3cccc(F)c32)cn1 ZINC000754365401 626569376 /nfs/dbraw/zinc/56/93/76/626569376.db2.gz DTUSCXATZKUGSE-FPLPWBNLSA-N 0 0 282.318 3.132 20 10 CGCDRN CC(C)c1nnc(CNCc2ccc(N(C)C)cc2)s1 ZINC000756140590 626680591 /nfs/dbraw/zinc/68/05/91/626680591.db2.gz PAOMWQRVEGCUJH-UHFFFAOYSA-N 0 0 290.436 3.017 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC000756355646 626695287 /nfs/dbraw/zinc/69/52/87/626695287.db2.gz QFIJFJGBLIUYOA-NXEZZACHSA-N 0 0 278.302 3.477 20 10 CGCDRN Cc1csc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756399752 626701582 /nfs/dbraw/zinc/70/15/82/626701582.db2.gz GOMZBQVDGWHWMI-SECBINFHSA-N 0 0 298.358 3.329 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000756467786 626707788 /nfs/dbraw/zinc/70/77/88/626707788.db2.gz YONSOJCQUCVOKF-SGMGOOAPSA-N 0 0 291.391 3.408 20 10 CGCDRN Cc1occc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756483756 626709051 /nfs/dbraw/zinc/70/90/51/626709051.db2.gz XJWTUJAZKKDADY-MRVPVSSYSA-N 0 0 267.275 3.423 20 10 CGCDRN C[C@@H]([NH2+]CCOC1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756490662 626709275 /nfs/dbraw/zinc/70/92/75/626709275.db2.gz QQTILEDJPHTAGL-SNVBAGLBSA-N 0 0 285.334 3.280 20 10 CGCDRN CC[C@H](C)N(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756532516 626712416 /nfs/dbraw/zinc/71/24/16/626712416.db2.gz CQDLSUWOFCNJPQ-WDEREUQCSA-N 0 0 286.366 3.051 20 10 CGCDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756646699 626724119 /nfs/dbraw/zinc/72/41/19/626724119.db2.gz NTHKZMXILCISET-GMTAPVOTSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000756711171 626726255 /nfs/dbraw/zinc/72/62/55/626726255.db2.gz JFVYUPGAKWJBBI-IUCAKERBSA-N 0 0 255.308 3.367 20 10 CGCDRN COCCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756760795 626730147 /nfs/dbraw/zinc/73/01/47/626730147.db2.gz QVFCFKSQVHBTKA-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN C[C@H]([NH2+]CCOC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756816918 626734402 /nfs/dbraw/zinc/73/44/02/626734402.db2.gz CYANRXXWFDWBNJ-VIFPVBQESA-N 0 0 273.323 3.136 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1cnccc1C)CCC2 ZINC000839656945 626770935 /nfs/dbraw/zinc/77/09/35/626770935.db2.gz WRINNZFXJINENN-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC000758027979 626822144 /nfs/dbraw/zinc/82/21/44/626822144.db2.gz BDAVQBMFMDGOMN-UHFFFAOYSA-N 0 0 297.370 3.085 20 10 CGCDRN C[C@@H]1CCC[C@@H](COC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000759589829 626908111 /nfs/dbraw/zinc/90/81/11/626908111.db2.gz UOBUCNBTONDTKI-QJUZWUIZSA-N 0 0 290.359 3.481 20 10 CGCDRN Cc1cc(NC(=O)NCc2ccccc2O)cnc1Cl ZINC000760055778 626938549 /nfs/dbraw/zinc/93/85/49/626938549.db2.gz MSYGYBRTGWNFLQ-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000760894880 627000794 /nfs/dbraw/zinc/00/07/94/627000794.db2.gz SKYPQLUMPIDIQP-SNVBAGLBSA-N 0 0 287.350 3.384 20 10 CGCDRN CC(C)c1cccc(C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000761834720 627064215 /nfs/dbraw/zinc/06/42/15/627064215.db2.gz BRDRAAVDQZFFAB-UHFFFAOYSA-N 0 0 297.402 3.201 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2=C(C)CCC2)c1 ZINC000761969689 627076736 /nfs/dbraw/zinc/07/67/36/627076736.db2.gz ZIPMHUAJGMEVDF-NSHDSACASA-N 0 0 275.348 3.078 20 10 CGCDRN C/C=C(/C=C/C(=O)N[C@@H](C)c1cc(OC)ccc1O)CC ZINC000761983571 627077927 /nfs/dbraw/zinc/07/79/27/627077927.db2.gz UDWNDYLTGNNSFO-XKXAIDTKSA-N 0 0 289.375 3.491 20 10 CGCDRN CCOC(=O)C[C@H](C)Sc1ncc(Cl)s1 ZINC000765034649 627237388 /nfs/dbraw/zinc/23/73/88/627237388.db2.gz MKFQWQLRBPIVAT-LURJTMIESA-N 0 0 265.787 3.230 20 10 CGCDRN Cc1cccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000765618813 627263117 /nfs/dbraw/zinc/26/31/17/627263117.db2.gz HCTXNEROVZQMFY-GFCCVEGCSA-N 0 0 286.331 3.460 20 10 CGCDRN C[C@@H]1CN(Cc2ccccc2O)c2ccccc2O1 ZINC000765652298 627265426 /nfs/dbraw/zinc/26/54/26/627265426.db2.gz SIYYNPUBBCOSDA-GFCCVEGCSA-N 0 0 255.317 3.180 20 10 CGCDRN O=C(NCc1ccc(C(F)F)cc1)C1=CC(=O)CS1 ZINC000765863341 627275454 /nfs/dbraw/zinc/27/54/54/627275454.db2.gz NSRNMMASNMHOFM-UHFFFAOYSA-N 0 0 283.299 3.321 20 10 CGCDRN Cc1noc2ncc(NCc3ccc(N(C)C)cc3)cc12 ZINC000765943671 627280170 /nfs/dbraw/zinc/28/01/70/627280170.db2.gz DORXSOQIWDFMFQ-UHFFFAOYSA-N 0 0 282.347 3.209 20 10 CGCDRN CCc1cc(C)nc(N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000766076454 627292721 /nfs/dbraw/zinc/29/27/21/627292721.db2.gz IGVIRQVUZFYETL-NSHDSACASA-N 0 0 287.363 3.235 20 10 CGCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@H]1CC(C)C ZINC000768317219 627473534 /nfs/dbraw/zinc/47/35/34/627473534.db2.gz HADOUJNJDYIFMR-ZDUSSCGKSA-N 0 0 263.381 3.411 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@@H](C)OC[C@H]2C)cc1F ZINC000768537104 627485504 /nfs/dbraw/zinc/48/55/04/627485504.db2.gz LRJSOAJWUXXPIF-ZIAGYGMSSA-N 0 0 294.414 3.281 20 10 CGCDRN CCOC(=O)CN(Cc1c(O)cccc1Cl)CC(C)C ZINC000768762747 627497070 /nfs/dbraw/zinc/49/70/70/627497070.db2.gz VXSQNACCWNAMFM-UHFFFAOYSA-N 0 0 299.798 3.067 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H](F)c2ccccc2)cc1 ZINC000768964791 627512034 /nfs/dbraw/zinc/51/20/34/627512034.db2.gz GBHMYHSQAQKZLW-MRXNPFEDSA-N 0 0 286.350 3.080 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)c(O)c1 ZINC000769331791 627542620 /nfs/dbraw/zinc/54/26/20/627542620.db2.gz XMGWNIWVYXPMMB-HNNXBMFYSA-N 0 0 261.365 3.165 20 10 CGCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(C)ccc1O ZINC000769424733 627551068 /nfs/dbraw/zinc/55/10/68/627551068.db2.gz UVQKORMWIKBTIF-KRWDZBQOSA-N 0 0 299.370 3.047 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000769515428 627561901 /nfs/dbraw/zinc/56/19/01/627561901.db2.gz QEIPCYPJBVGMMZ-JTQLQIEISA-N 0 0 296.754 3.186 20 10 CGCDRN Cc1conc1NCc1cc(C)cc(Br)c1O ZINC000769652144 627571482 /nfs/dbraw/zinc/57/14/82/627571482.db2.gz CHFTVSZMGXCIEH-UHFFFAOYSA-N 0 0 297.152 3.372 20 10 CGCDRN Cn1ncc(NCc2cc(Cl)ccc2O)c1C1CC1 ZINC000769925344 627589791 /nfs/dbraw/zinc/58/97/91/627589791.db2.gz QOTGOPZKYXDWHQ-UHFFFAOYSA-N 0 0 277.755 3.269 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(C)c2C2CC2)c1 ZINC000769978976 627594238 /nfs/dbraw/zinc/59/42/38/627594238.db2.gz DLEFDMUQBDECMV-LLVKDONJSA-N 0 0 271.364 3.485 20 10 CGCDRN Oc1ccc(Br)cc1CN1CCC=C(F)C1 ZINC000770667721 627635977 /nfs/dbraw/zinc/63/59/77/627635977.db2.gz SKNOMXKOJXGZJA-UHFFFAOYSA-N 0 0 286.144 3.214 20 10 CGCDRN CN1C(=O)/C(=C\c2cscc2Cl)SC1=S ZINC000771850922 627735968 /nfs/dbraw/zinc/73/59/68/627735968.db2.gz NPWBGKSVIRFJJQ-FARCUNLSSA-N 0 0 275.807 3.233 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cc(OC)cc(OC)c1 ZINC000772596905 627804698 /nfs/dbraw/zinc/80/46/98/627804698.db2.gz BVEGRIHSMWTWRD-UHFFFAOYSA-N 0 0 299.370 3.275 20 10 CGCDRN CC(C)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773005739 627840864 /nfs/dbraw/zinc/84/08/64/627840864.db2.gz CQVSXSRGSXAVDK-CYBMUJFWSA-N 0 0 262.397 3.366 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000773012040 627841785 /nfs/dbraw/zinc/84/17/85/627841785.db2.gz FTASHAXXJLTWNO-ZIAGYGMSSA-N 0 0 297.402 3.129 20 10 CGCDRN Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(O)c1O ZINC000773214179 627867893 /nfs/dbraw/zinc/86/78/93/627867893.db2.gz LTCGLSNTGIVWAO-CYBMUJFWSA-N 0 0 299.370 3.109 20 10 CGCDRN CC(C)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773374790 627875803 /nfs/dbraw/zinc/87/58/03/627875803.db2.gz MPIJPMYVQJVCKC-KBPBESRZSA-N 0 0 291.439 3.405 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(F)CCCC1 ZINC000773414756 627881703 /nfs/dbraw/zinc/88/17/03/627881703.db2.gz SRNTUHJVEDFJQK-UHFFFAOYSA-N 0 0 291.366 3.170 20 10 CGCDRN C[C@@H](Nc1ncnc2ccncc21)c1ccc(N(C)C)cc1 ZINC000773903006 627926745 /nfs/dbraw/zinc/92/67/45/627926745.db2.gz SJQCFWVZYSAKFN-GFCCVEGCSA-N 0 0 293.374 3.264 20 10 CGCDRN CCC[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccn1 ZINC000774043663 627939922 /nfs/dbraw/zinc/93/99/22/627939922.db2.gz LQAUFQZTMTZOMJ-HNNXBMFYSA-N 0 0 298.386 3.330 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc3cc[nH]c32)c(O)c1O ZINC000775286905 628079051 /nfs/dbraw/zinc/07/90/51/628079051.db2.gz DURIRVDXUZJIEW-UHFFFAOYSA-N 0 0 282.299 3.140 20 10 CGCDRN C[C@@H](NC(=O)Nc1cccnc1)c1ccc(N(C)C)cc1 ZINC000775433017 628094730 /nfs/dbraw/zinc/09/47/30/628094730.db2.gz RZFACSQEMYAOLW-GFCCVEGCSA-N 0 0 284.363 3.030 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000776339870 628195268 /nfs/dbraw/zinc/19/52/68/628195268.db2.gz CMENOIRHQFXTKV-GDBMZVCRSA-N 0 0 286.419 3.339 20 10 CGCDRN COc1ccc(N(CC(=O)OCC(C)C)C(C)C)cc1F ZINC000776587294 628221783 /nfs/dbraw/zinc/22/17/83/628221783.db2.gz LFLUDEGFEAGMGB-UHFFFAOYSA-N 0 0 297.370 3.248 20 10 CGCDRN CCCc1nc(C)c(NC(=O)C2=CC(=O)CS2)s1 ZINC000777220321 628256810 /nfs/dbraw/zinc/25/68/10/628256810.db2.gz HHNVGTILCKCSSA-UHFFFAOYSA-N 0 0 282.390 3.423 20 10 CGCDRN CC[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)OC ZINC000810258702 628264246 /nfs/dbraw/zinc/26/42/46/628264246.db2.gz UQGNBHADOLDVKA-UMNHJUIQSA-N 0 0 267.344 3.094 20 10 CGCDRN Oc1cccc(Cl)c1CNc1nnc(C2CC2)s1 ZINC000777507056 628276671 /nfs/dbraw/zinc/27/66/71/628276671.db2.gz NTHDGHZLBKEBEK-UHFFFAOYSA-N 0 0 281.768 3.387 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(Cl)cn2)cc1OC ZINC000778212424 628333900 /nfs/dbraw/zinc/33/39/00/628333900.db2.gz YAFZZZHTXVAUGU-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2CC=CCC2)cc1 ZINC000778620896 628361439 /nfs/dbraw/zinc/36/14/39/628361439.db2.gz RUADXPYJNZGJJT-UHFFFAOYSA-N 0 0 287.407 3.004 20 10 CGCDRN C[C@H]1CC(C(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)C1 ZINC000779746964 628425704 /nfs/dbraw/zinc/42/57/04/628425704.db2.gz LNYFPACVOIXZLW-ZIAGYGMSSA-N 0 0 288.435 3.441 20 10 CGCDRN Cc1ccc(C(F)(F)C(=O)NCc2ccccc2O)cc1 ZINC000780451114 628490500 /nfs/dbraw/zinc/49/05/00/628490500.db2.gz NHLQZTRDOKVRDG-UHFFFAOYSA-N 0 0 291.297 3.109 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccnc1C ZINC000780766112 628515431 /nfs/dbraw/zinc/51/54/31/628515431.db2.gz GGXODAOYAAWVJV-UHFFFAOYSA-N 0 0 268.360 3.351 20 10 CGCDRN COc1ccc(N(C)Cc2c(O)cccc2OC)cc1F ZINC000780779426 628516936 /nfs/dbraw/zinc/51/69/36/628516936.db2.gz DAKIUTBNOSVADU-UHFFFAOYSA-N 0 0 291.322 3.185 20 10 CGCDRN Cc1cc(C)n2nc(Sc3ncc(Cl)s3)nc2n1 ZINC000780908105 628523504 /nfs/dbraw/zinc/52/35/04/628523504.db2.gz OUZCJUWWWQFLTL-UHFFFAOYSA-N 0 0 297.796 3.002 20 10 CGCDRN Cc1ccc([C@H](C)CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780947768 628525803 /nfs/dbraw/zinc/52/58/03/628525803.db2.gz OIFASLDPHLUMFV-CYBMUJFWSA-N 0 0 299.370 3.248 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2C)c1 ZINC000781914468 628604848 /nfs/dbraw/zinc/60/48/48/628604848.db2.gz XQIFMQQBVJBDJT-SNVBAGLBSA-N 0 0 284.197 3.447 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cccc2c1OCO2 ZINC000782381558 628642954 /nfs/dbraw/zinc/64/29/54/628642954.db2.gz NMGGADDBFDDWQK-UHFFFAOYSA-N 0 0 277.707 3.386 20 10 CGCDRN CC(C)C(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000782636682 628657124 /nfs/dbraw/zinc/65/71/24/628657124.db2.gz HAXKYMLLVZZKCJ-UHFFFAOYSA-N 0 0 291.439 3.234 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000783306269 628701783 /nfs/dbraw/zinc/70/17/83/628701783.db2.gz GBPYNBKANDMNIU-GMXVVIOVSA-N 0 0 277.364 3.018 20 10 CGCDRN C[C@@H]([NH2+]CC1CC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783309475 628702454 /nfs/dbraw/zinc/70/24/54/628702454.db2.gz GHQVCPCKVXYVFK-SNVBAGLBSA-N 0 0 278.352 3.387 20 10 CGCDRN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000783710918 628742057 /nfs/dbraw/zinc/74/20/57/628742057.db2.gz ZELJEXOHJBFSBU-GZMMTYOYSA-N 0 0 257.736 3.463 20 10 CGCDRN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783738360 628744731 /nfs/dbraw/zinc/74/47/31/628744731.db2.gz SDDNAQLSNRFMGO-QJPTWQEYSA-N 0 0 283.799 3.352 20 10 CGCDRN CC(C)C(C)(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000784076206 628775914 /nfs/dbraw/zinc/77/59/14/628775914.db2.gz KZRJZRIVRRFAOA-UHFFFAOYSA-N 0 0 288.435 3.367 20 10 CGCDRN CN(Cc1ccccc1O)c1nc2c(cccc2F)o1 ZINC000784334946 628806856 /nfs/dbraw/zinc/80/68/56/628806856.db2.gz JXGHVIFNKMBNMT-UHFFFAOYSA-N 0 0 272.279 3.309 20 10 CGCDRN CO[C@@H]1Cc2ccc(NCc3ccccc3O)cc2C1 ZINC000784631104 628826262 /nfs/dbraw/zinc/82/62/62/628826262.db2.gz UYMAXULMHVSWIS-MRXNPFEDSA-N 0 0 269.344 3.118 20 10 CGCDRN COc1ccccc1N(C)Cc1ccc(N(C)C)cc1 ZINC000785656995 628877936 /nfs/dbraw/zinc/87/79/36/628877936.db2.gz MBAZGUKSTUHDKS-UHFFFAOYSA-N 0 0 270.376 3.398 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccccc2N(C)C)cc1 ZINC000785752231 628884495 /nfs/dbraw/zinc/88/44/95/628884495.db2.gz JSPCNYHQDZVSQS-UHFFFAOYSA-N 0 0 283.419 3.455 20 10 CGCDRN CCOc1ccc(CN[C@@H](C(C)C)C(F)(F)F)c(O)c1 ZINC000786840866 628966723 /nfs/dbraw/zinc/96/67/23/628966723.db2.gz NNHWDLFHDWZHIY-ZDUSSCGKSA-N 0 0 291.313 3.467 20 10 CGCDRN C[C@@H](Nc1ccc2ccc(=O)n(C)c2c1)c1ccccc1O ZINC000786941509 628971688 /nfs/dbraw/zinc/97/16/88/628971688.db2.gz NZEITORMSSMWKW-GFCCVEGCSA-N 0 0 294.354 3.417 20 10 CGCDRN O=C(CCCSc1nccs1)N1CCCCC1 ZINC000787491361 629014881 /nfs/dbraw/zinc/01/48/81/629014881.db2.gz VSIKDKKIGFXKOY-UHFFFAOYSA-N 0 0 270.423 3.028 20 10 CGCDRN C[C@H]([NH2+]CC1(C)COC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788603095 629068455 /nfs/dbraw/zinc/06/84/55/629068455.db2.gz DTCYNVZTXZUHOG-VIFPVBQESA-N 0 0 289.297 3.098 20 10 CGCDRN CC[C@H](O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788629378 629070315 /nfs/dbraw/zinc/07/03/15/629070315.db2.gz AVFPMXYUDVAGAG-ZJUUUORDSA-N 0 0 291.313 3.223 20 10 CGCDRN CO[C@@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788754258 629079043 /nfs/dbraw/zinc/07/90/43/629079043.db2.gz AWBXVWYWRXUZFC-DTWKUNHWSA-N 0 0 277.286 3.097 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CC[C@@H](C)O1 ZINC000789306493 629123152 /nfs/dbraw/zinc/12/31/52/629123152.db2.gz PDVJCLXSLIYMEY-IUODEOHRSA-N 0 0 261.365 3.015 20 10 CGCDRN CCCCC[C@@H](NCc1cc(Cl)ccc1O)C(=O)OC ZINC000789574252 629145496 /nfs/dbraw/zinc/14/54/96/629145496.db2.gz CDDBYQRNEDNGIJ-CYBMUJFWSA-N 0 0 299.798 3.257 20 10 CGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1c(F)cccc1F ZINC000790074637 629182185 /nfs/dbraw/zinc/18/21/85/629182185.db2.gz RDGSRMLVYNAZSA-QMMMGPOBSA-N 0 0 294.253 3.294 20 10 CGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790646563 629222569 /nfs/dbraw/zinc/22/25/69/629222569.db2.gz NOGBLMJIJXNVOA-NEPJUHHUSA-N 0 0 277.364 3.042 20 10 CGCDRN CCOC(C)(C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790993352 629247920 /nfs/dbraw/zinc/24/79/20/629247920.db2.gz UFSBASZKCUCXDY-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)C(F)F)c1ccc(N(C)C)cc1 ZINC000791720376 629297112 /nfs/dbraw/zinc/29/71/12/629297112.db2.gz NHJXPCVXSHCMJV-SNVBAGLBSA-N 0 0 284.350 3.221 20 10 CGCDRN C[C@@H]1C[NH+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000792164711 629341058 /nfs/dbraw/zinc/34/10/58/629341058.db2.gz CGCZBJPPKAVGSI-RKDXNWHRSA-N 0 0 257.736 3.273 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000792171088 629343180 /nfs/dbraw/zinc/34/31/80/629343180.db2.gz XPVSYPILLJPDQE-MFKMUULPSA-N 0 0 299.773 3.186 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000862755642 629429823 /nfs/dbraw/zinc/42/98/23/629429823.db2.gz JHDDCBGXMYXYMU-NSHDSACASA-N 0 0 283.318 3.142 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC[C@H]2C)c1 ZINC000862757409 629429840 /nfs/dbraw/zinc/42/98/40/629429840.db2.gz SVKQMJXCLKLQMF-OLZOCXBDSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccccc2)c1 ZINC000862755108 629429925 /nfs/dbraw/zinc/42/99/25/629429925.db2.gz DCDSTXBPRRGLNN-AWEZNQCLSA-N 0 0 283.371 3.196 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2C=CCCC2)c1 ZINC000862757456 629429940 /nfs/dbraw/zinc/42/99/40/629429940.db2.gz VCNSQLFGDUSVAY-CYBMUJFWSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C(C)C)cn2)c1 ZINC000862755087 629429968 /nfs/dbraw/zinc/42/99/68/629429968.db2.gz CCNSLGBHZKHQAM-UHFFFAOYSA-N 0 0 284.359 3.149 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2CCCCCC2)c1 ZINC000862759165 629431130 /nfs/dbraw/zinc/43/11/30/629431130.db2.gz XOIZIQVSMBDVQB-UHFFFAOYSA-N 0 0 261.365 3.287 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000793227279 629431541 /nfs/dbraw/zinc/43/15/41/629431541.db2.gz AXVFAKPPAITRJT-UWVGGRQHSA-N 0 0 284.197 3.446 20 10 CGCDRN CCc1cc(CN2CCO[C@@H]3C[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000793618350 629491195 /nfs/dbraw/zinc/49/11/95/629491195.db2.gz LHXKIWZLELLBGX-JKSUJKDBSA-N 0 0 289.419 3.225 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2sccc2Cl)cc1 ZINC000794618199 629561743 /nfs/dbraw/zinc/56/17/43/629561743.db2.gz AXGYJTAMVFDQDU-UHFFFAOYSA-N 0 0 294.807 3.398 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cccc(Cl)c1[O-] ZINC000863544804 629603885 /nfs/dbraw/zinc/60/38/85/629603885.db2.gz BQRJYRHBCVYKNF-GYSYKLTISA-N 0 0 282.815 3.227 20 10 CGCDRN CCCCN(CCCC)C(=O)CN(C)c1ccc(N)cc1 ZINC000863557628 629604467 /nfs/dbraw/zinc/60/44/67/629604467.db2.gz RBWNCKNHJNTIMZ-UHFFFAOYSA-N 0 0 291.439 3.134 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2ncccc21 ZINC000119532247 629611598 /nfs/dbraw/zinc/61/15/98/629611598.db2.gz BXUASUGKSHEYBC-UHFFFAOYSA-N 0 0 293.374 3.011 20 10 CGCDRN CC(=O)Oc1ccc(CSc2nccs2)cc1 ZINC000119641045 629680552 /nfs/dbraw/zinc/68/05/52/629680552.db2.gz DCPRBIIJPDMCPW-UHFFFAOYSA-N 0 0 265.359 3.361 20 10 CGCDRN CC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000836406066 634757855 /nfs/dbraw/zinc/75/78/55/634757855.db2.gz PJGUJWKYAUHHCM-ZWNOBZJWSA-N 0 0 299.365 3.157 20 10 CGCDRN CN=[S@@](C)(=O)c1cccc(NCc2ccccc2O)c1 ZINC000864014166 629727580 /nfs/dbraw/zinc/72/75/80/629727580.db2.gz KRPVYBCPMZUVIK-FQEVSTJZSA-N 0 0 290.388 3.091 20 10 CGCDRN OCc1cc2cc(NCc3cc(F)ccc3O)ccc2o1 ZINC000864042082 629737090 /nfs/dbraw/zinc/73/70/90/629737090.db2.gz VIWUYBMZFYACDR-UHFFFAOYSA-N 0 0 287.290 3.382 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccccc2O)[C@H]1C ZINC000796636044 629808140 /nfs/dbraw/zinc/80/81/40/629808140.db2.gz KFGHUMMJHCSQRK-RDBSUJKOSA-N 0 0 290.407 3.264 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)NCc2ccccc2O)[C@@H]1C ZINC000796636043 629808288 /nfs/dbraw/zinc/80/82/88/629808288.db2.gz KFGHUMMJHCSQRK-MGPQQGTHSA-N 0 0 290.407 3.264 20 10 CGCDRN CCCN(CC)CC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796778666 629831806 /nfs/dbraw/zinc/83/18/06/629831806.db2.gz IFJINGGEIYOCHO-OAHLLOKOSA-N 0 0 282.403 3.304 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1ccc(F)cc1[O-] ZINC000796856706 629849066 /nfs/dbraw/zinc/84/90/66/629849066.db2.gz WSLFGFFDMAMPND-HZUKXOBISA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000120097169 629858710 /nfs/dbraw/zinc/85/87/10/629858710.db2.gz XZWGLCLETWBXPJ-SNVBAGLBSA-N 0 0 276.292 3.053 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(F)cc1[O-] ZINC000796947955 629863789 /nfs/dbraw/zinc/86/37/89/629863789.db2.gz KVSFGFBBQIIDDT-CQDKDKBSSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(F)cc1[O-] ZINC000797064646 629880773 /nfs/dbraw/zinc/88/07/73/629880773.db2.gz HRVSOGNGQPPUCW-ICCXJUOJSA-N 0 0 269.385 3.324 20 10 CGCDRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1O ZINC000797742644 629980178 /nfs/dbraw/zinc/98/01/78/629980178.db2.gz AKYYXOLEYXRGJM-ZLIFDBKOSA-N 0 0 281.355 3.058 20 10 CGCDRN CC(C)C[C@H](C)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000798638734 630078801 /nfs/dbraw/zinc/07/88/01/630078801.db2.gz ZAXCSSYQKDEURF-PZBABLGHSA-N 0 0 278.348 3.336 20 10 CGCDRN CN(CCCCC1CCOCC1)c1ccc2c(c1)OCO2 ZINC000799144551 630150567 /nfs/dbraw/zinc/15/05/67/630150567.db2.gz CCOLDGWDICHWTC-UHFFFAOYSA-N 0 0 291.391 3.448 20 10 CGCDRN COc1ccc2occ(C(=O)NCc3ccccc3O)c2c1 ZINC000799695407 630222777 /nfs/dbraw/zinc/22/27/77/630222777.db2.gz JCASJWKMHFBIOT-UHFFFAOYSA-N 0 0 297.310 3.077 20 10 CGCDRN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000839890716 630232937 /nfs/dbraw/zinc/23/29/37/630232937.db2.gz LNEUFDSHCRFANI-WDEREUQCSA-N 0 0 267.394 3.398 20 10 CGCDRN CCSCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000800527361 630290921 /nfs/dbraw/zinc/29/09/21/630290921.db2.gz PJQQXNOGMSQSQC-UHFFFAOYSA-N 0 0 277.792 3.418 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)C ZINC000839917131 630294878 /nfs/dbraw/zinc/29/48/78/630294878.db2.gz ZZFWLBYIPMXUPU-ZDUSSCGKSA-N 0 0 276.424 3.154 20 10 CGCDRN O=C(NCC1CCC(F)(F)CC1)C1=CC(=O)CS1 ZINC000800700125 630295656 /nfs/dbraw/zinc/29/56/56/630295656.db2.gz SEEVAMQVNJYDJB-UHFFFAOYSA-N 0 0 275.320 3.009 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC000839919063 630296059 /nfs/dbraw/zinc/29/60/59/630296059.db2.gz PEMNBKXGGLDUCK-HUUCEWRRSA-N 0 0 290.451 3.400 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CC(C)(C)C2)c1 ZINC000802781741 630411328 /nfs/dbraw/zinc/41/13/28/630411328.db2.gz FXZWXKWKOGRZCS-SNVBAGLBSA-N 0 0 277.364 3.014 20 10 CGCDRN O=C(/C=C/c1cccnc1)N1CCc2cc(Cl)ccc21 ZINC000804346580 630522164 /nfs/dbraw/zinc/52/21/64/630522164.db2.gz OJNDCCWNCRNLLZ-ZZXKWVIFSA-N 0 0 284.746 3.338 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(Cl)c1[O-] ZINC000806149914 630549592 /nfs/dbraw/zinc/54/95/92/630549592.db2.gz ZHNDCPCMMPPBBZ-BXUZGUMPSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc(Cl)c1[O-] ZINC000806160981 630551150 /nfs/dbraw/zinc/55/11/50/630551150.db2.gz HBBOFSOSJQLJOE-GYSYKLTISA-N 0 0 283.799 3.247 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(C(F)F)CCCC2)cc1 ZINC000808027992 630619281 /nfs/dbraw/zinc/61/92/81/630619281.db2.gz OYMNAETVOKBMGD-UHFFFAOYSA-N 0 0 296.361 3.194 20 10 CGCDRN CCN(Cc1nocc1C)c1ccc(OC)c(OC)c1 ZINC000878217781 635419414 /nfs/dbraw/zinc/41/94/14/635419414.db2.gz DDYGQGNMJVCHNL-UHFFFAOYSA-N 0 0 276.336 3.027 20 10 CGCDRN CCOC1CC([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809773551 630803550 /nfs/dbraw/zinc/80/35/50/630803550.db2.gz FQCASWXEZFRLIV-UHFFFAOYSA-N 0 0 287.762 3.184 20 10 CGCDRN Cc1cccc(NC(=S)NNc2ccccc2F)c1 ZINC000812474978 631265606 /nfs/dbraw/zinc/26/56/06/631265606.db2.gz MDOICGKTSHGUTG-UHFFFAOYSA-N 0 0 275.352 3.448 20 10 CGCDRN CN1CCCc2cc(CNC(=O)CCCC3CC3)ccc21 ZINC000812487576 631267505 /nfs/dbraw/zinc/26/75/05/631267505.db2.gz CNLLUDMBWVAYET-UHFFFAOYSA-N 0 0 286.419 3.266 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H](C)COC ZINC000812492862 631268601 /nfs/dbraw/zinc/26/86/01/631268601.db2.gz PIDDWCGQZDRKAW-ZIAGYGMSSA-N 0 0 293.407 3.049 20 10 CGCDRN CO[C@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000812734697 631299083 /nfs/dbraw/zinc/29/90/83/631299083.db2.gz QZDMQFBZYXTOIK-BJOHPYRUSA-N 0 0 285.334 3.136 20 10 CGCDRN Cn1cc(NCc2cc(Cl)ccc2O)c(C2CC2)n1 ZINC000812777886 631306588 /nfs/dbraw/zinc/30/65/88/631306588.db2.gz YHUMZMHMDVBDNK-UHFFFAOYSA-N 0 0 277.755 3.269 20 10 CGCDRN CCOc1ccc(CNc2cn(C)nc2C2CC2)c(O)c1 ZINC000812777262 631306695 /nfs/dbraw/zinc/30/66/95/631306695.db2.gz GVNVRRYYCXZLAF-UHFFFAOYSA-N 0 0 287.363 3.014 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCCF ZINC000813227245 631392025 /nfs/dbraw/zinc/39/20/25/631392025.db2.gz ZDAGBPVAXOFTIN-UHFFFAOYSA-N 0 0 282.359 3.064 20 10 CGCDRN COCC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815572960 631798468 /nfs/dbraw/zinc/79/84/68/631798468.db2.gz UCHWEMSIIMZQPV-UWVGGRQHSA-N 0 0 291.313 3.487 20 10 CGCDRN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815615869 631806748 /nfs/dbraw/zinc/80/67/48/631806748.db2.gz ZPUJCFOPUWFXEC-KXUCPTDWSA-N 0 0 291.313 3.221 20 10 CGCDRN CC[C@H](NCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000815645050 631811346 /nfs/dbraw/zinc/81/13/46/631811346.db2.gz SZRQFIWYZIVPTC-ZDUSSCGKSA-N 0 0 256.340 3.449 20 10 CGCDRN O=C(NCc1ccccc1O)c1cnc2c(F)cccc2c1 ZINC000815833429 631827585 /nfs/dbraw/zinc/82/75/85/631827585.db2.gz NBFMACJKVKVQJX-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCO1 ZINC000816559941 632013113 /nfs/dbraw/zinc/01/31/13/632013113.db2.gz ZTEKAAIYBAMIGA-TZMCWYRMSA-N 0 0 287.762 3.232 20 10 CGCDRN CCOc1ccc(N(C)Cc2conc2CC)cc1 ZINC000816565811 632014827 /nfs/dbraw/zinc/01/48/27/632014827.db2.gz CGIDNTSKZAKHKJ-UHFFFAOYSA-N 0 0 260.337 3.272 20 10 CGCDRN CCc1nocc1CN(C)Cc1cc(Cl)ccc1O ZINC000816652355 632039351 /nfs/dbraw/zinc/03/93/51/632039351.db2.gz HXWKTROKKBXGAS-UHFFFAOYSA-N 0 0 280.755 3.228 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CF)cc1 ZINC000816745424 632048400 /nfs/dbraw/zinc/04/84/00/632048400.db2.gz CXMBLKWPXUNYHZ-NSHDSACASA-N 0 0 274.339 3.182 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000817415110 632144685 /nfs/dbraw/zinc/14/46/85/632144685.db2.gz OMOMTYZCIMCCGI-NWDGAFQWSA-N 0 0 269.772 3.093 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817419199 632147110 /nfs/dbraw/zinc/14/71/10/632147110.db2.gz QXCZHOOUVMPHQG-GFCCVEGCSA-N 0 0 283.799 3.030 20 10 CGCDRN CCNCC[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951655 632248045 /nfs/dbraw/zinc/24/80/45/632248045.db2.gz IXGKBCYXUJGENF-LLVKDONJSA-N 0 0 291.222 3.349 20 10 CGCDRN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(F)(F)F ZINC000818229072 632300038 /nfs/dbraw/zinc/30/00/38/632300038.db2.gz KVUNSMUKXWAGRG-WYGGZMRJSA-N 0 0 272.314 3.306 20 10 CGCDRN C[C@H]1CCCC[C@H]1CC(=O)NCCc1ccc(N)cc1 ZINC000818545041 632332044 /nfs/dbraw/zinc/33/20/44/632332044.db2.gz CCHFJVHVCQULLL-ZFWWWQNUSA-N 0 0 274.408 3.144 20 10 CGCDRN Cc1ccc(C2CC2)c(C(=O)NCc2ccc(N)cc2)c1 ZINC000819928563 632538569 /nfs/dbraw/zinc/53/85/69/632538569.db2.gz NKVNCAUZLJBZIK-UHFFFAOYSA-N 0 0 280.371 3.385 20 10 CGCDRN Cc1cc(CC(=O)N(C)C2CC2)c(C)n1-c1ccccc1 ZINC000821728469 632813573 /nfs/dbraw/zinc/81/35/73/632813573.db2.gz NODGBZFTBGHEJO-UHFFFAOYSA-N 0 0 282.387 3.257 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCCCSc1nccs1 ZINC000865784986 632889787 /nfs/dbraw/zinc/88/97/87/632889787.db2.gz KYKWUIRMHPRVHY-WRWGMCAJSA-N 0 0 296.461 3.034 20 10 CGCDRN Oc1cccc2c1CN(c1ncc(C(F)(F)F)s1)C2 ZINC000866117102 633004295 /nfs/dbraw/zinc/00/42/95/633004295.db2.gz GBYBRBOPAWIBNB-UHFFFAOYSA-N 0 0 286.278 3.388 20 10 CGCDRN COc1ccc(N(C)C[C@H](OC)C2CC2)cc1Cl ZINC000822681982 633004443 /nfs/dbraw/zinc/00/44/43/633004443.db2.gz SJPGDTNFDTVJML-AWEZNQCLSA-N 0 0 269.772 3.210 20 10 CGCDRN F[C@@H]1COc2ccccc2[C@H]1NCc1ccc2c(c1)CCO2 ZINC000866251869 633045373 /nfs/dbraw/zinc/04/53/73/633045373.db2.gz BWJISJDPTCWFAA-CRAIPNDOSA-N 0 0 299.345 3.183 20 10 CGCDRN C[C@]1(C(=O)NCCCSc2nccs2)CC=CCC1 ZINC000823297836 633088293 /nfs/dbraw/zinc/08/82/93/633088293.db2.gz IZWLIMMZOPGJQJ-AWEZNQCLSA-N 0 0 296.461 3.488 20 10 CGCDRN CCC(C)(CC)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000121126488 633205907 /nfs/dbraw/zinc/20/59/07/633205907.db2.gz UGBKQZOJFRXGCV-UHFFFAOYSA-N 0 0 295.402 3.270 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000867503238 633249213 /nfs/dbraw/zinc/24/92/13/633249213.db2.gz IMDRAHWOIWXZHV-KGLIPLIRSA-N 0 0 297.402 3.129 20 10 CGCDRN CN(C)c1ccc(CN2CC3(CC3)C2)c(C(F)(F)F)c1 ZINC000824533748 633255075 /nfs/dbraw/zinc/25/50/75/633255075.db2.gz MLDUMXIGISZFSN-UHFFFAOYSA-N 0 0 284.325 3.367 20 10 CGCDRN CCC1([NH2+]Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000824620447 633265129 /nfs/dbraw/zinc/26/51/29/633265129.db2.gz PGELHJFHVKENCP-UHFFFAOYSA-N 0 0 284.197 3.495 20 10 CGCDRN CCSCC[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868325822 633314153 /nfs/dbraw/zinc/31/41/53/633314153.db2.gz MUHLIRQDOZNKAL-NWDGAFQWSA-N 0 0 296.436 3.284 20 10 CGCDRN CO[C@@H]([C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000825099088 633328518 /nfs/dbraw/zinc/32/85/18/633328518.db2.gz ULGJUAUBOFRYSX-CLAHSXSESA-N 0 0 287.762 3.088 20 10 CGCDRN CCC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868541467 633334326 /nfs/dbraw/zinc/33/43/26/633334326.db2.gz RENKNFGUMRZXOU-NSHDSACASA-N 0 0 264.369 3.189 20 10 CGCDRN COc1ccc(N(C)Cc2cnn3c2CCC3)cc1Cl ZINC000825468991 633356784 /nfs/dbraw/zinc/35/67/84/633356784.db2.gz SBZCPSMKWGWKQI-UHFFFAOYSA-N 0 0 291.782 3.128 20 10 CGCDRN C/C(=C/C(=O)N1CCCc2ccc(C)cc21)c1cnccn1 ZINC000825827348 633382872 /nfs/dbraw/zinc/38/28/72/633382872.db2.gz QQVLXHGFAMYMEY-KAMYIIQDSA-N 0 0 293.370 3.168 20 10 CGCDRN CC(C(=O)NCCCSc1nccs1)=C1CCC1 ZINC000825887548 633385820 /nfs/dbraw/zinc/38/58/20/633385820.db2.gz PKUUEYFKNIUXLL-UHFFFAOYSA-N 0 0 282.434 3.242 20 10 CGCDRN Cc1cc(O)c(CN2CC3(CC3(F)F)C2)cc1Cl ZINC000826535026 633411783 /nfs/dbraw/zinc/41/17/83/633411783.db2.gz PREHQNWIPJIUMC-UHFFFAOYSA-N 0 0 273.710 3.195 20 10 CGCDRN COCCC1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000826899211 633441205 /nfs/dbraw/zinc/44/12/05/633441205.db2.gz GHUKNUYEWJKJTH-UHFFFAOYSA-N 0 0 290.190 3.167 20 10 CGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1O ZINC000827151765 633464986 /nfs/dbraw/zinc/46/49/86/633464986.db2.gz JHKJYJCBXXYRPQ-MRXNPFEDSA-N 0 0 295.810 3.091 20 10 CGCDRN CCc1c(Cl)ncnc1NCc1ccc(N(C)C)cc1 ZINC000827317202 633480972 /nfs/dbraw/zinc/48/09/72/633480972.db2.gz PJDXFNVYBWHTMF-UHFFFAOYSA-N 0 0 290.798 3.371 20 10 CGCDRN CN(C)c1ccc(CNc2nc(C3CCC3)no2)cc1F ZINC000827495973 633494695 /nfs/dbraw/zinc/49/46/95/633494695.db2.gz BPFSFTBRCKWKNX-UHFFFAOYSA-N 0 0 290.342 3.154 20 10 CGCDRN C[C@@H](NC(=O)CO[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000827937081 633536864 /nfs/dbraw/zinc/53/68/64/633536864.db2.gz JZBRJLXBTYMSJY-WOSRLPQWSA-N 0 0 291.391 3.165 20 10 CGCDRN COc1cc(C)sc1C(=O)N[C@H](C)c1ccccc1O ZINC000827937459 633537153 /nfs/dbraw/zinc/53/71/53/633537153.db2.gz XKTIDBNYSBBCAW-SNVBAGLBSA-N 0 0 291.372 3.262 20 10 CGCDRN C[C@@H](NC(=O)CO[C@@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000827937550 633537351 /nfs/dbraw/zinc/53/73/51/633537351.db2.gz YUPQGWSBTRZRMS-MGPQQGTHSA-N 0 0 291.391 3.165 20 10 CGCDRN CCc1cccc(CC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827940357 633537565 /nfs/dbraw/zinc/53/75/65/633537565.db2.gz BWHXPYBNLGSVNU-CYBMUJFWSA-N 0 0 283.371 3.375 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1ccccc1O ZINC000827941855 633537898 /nfs/dbraw/zinc/53/78/98/633537898.db2.gz YZNWTDXPHFNMCM-UPJWGTAASA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)[C@@]1(C)CCc2ccccc21)c1ccccc1O ZINC000827952033 633538798 /nfs/dbraw/zinc/53/87/98/633538798.db2.gz DROCNTPBSPWWEL-YJYMSZOUSA-N 0 0 295.382 3.474 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)[C@H]1CCCCO1)c1ccccc1O ZINC000827955583 633539435 /nfs/dbraw/zinc/53/94/35/633539435.db2.gz BDBHHVPCYFMASZ-IUODEOHRSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](NC(=O)[C@]1(C)CCC[C@H]1C)c1ccccc1O ZINC000827952484 633539555 /nfs/dbraw/zinc/53/95/55/633539555.db2.gz USVYQMMIIZLSLO-XHBSWPGZSA-N 0 0 261.365 3.396 20 10 CGCDRN CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000827963888 633541151 /nfs/dbraw/zinc/54/11/51/633541151.db2.gz DFPABZOLRPJACO-MELADBBJSA-N 0 0 291.391 3.165 20 10 CGCDRN CCC[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827968859 633542197 /nfs/dbraw/zinc/54/21/97/633542197.db2.gz BACDWCPEMDXJKS-IHRRRGAJSA-N 0 0 291.391 3.165 20 10 CGCDRN COCCC1(C(=O)N[C@@H](C)c2ccccc2O)CCCC1 ZINC000827973632 633543455 /nfs/dbraw/zinc/54/34/55/633543455.db2.gz VLXVGLSNFMLCCV-ZDUSSCGKSA-N 0 0 291.391 3.166 20 10 CGCDRN C[C@H](NC(=O)C[C@H](C)n1cccc1)c1ccccc1O ZINC000827977879 633543610 /nfs/dbraw/zinc/54/36/10/633543610.db2.gz AQKJKTSFAOQDHK-STQMWFEESA-N 0 0 272.348 3.022 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1ccccc1O ZINC000827978609 633544099 /nfs/dbraw/zinc/54/40/99/633544099.db2.gz YGAMFHIDSRBFSD-WFASDCNBSA-N 0 0 297.354 3.136 20 10 CGCDRN C[C@H](NC(=O)CCc1ccsc1)c1ccccc1O ZINC000827986806 633544797 /nfs/dbraw/zinc/54/47/97/633544797.db2.gz RNNHUOLXKNZNMN-NSHDSACASA-N 0 0 275.373 3.264 20 10 CGCDRN O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1Cc2cccc(O)c2C1 ZINC000828328545 633605612 /nfs/dbraw/zinc/60/56/12/633605612.db2.gz YHUXITVGNCONTH-XYYAHUGASA-N 0 0 271.360 3.061 20 10 CGCDRN CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000828609251 633634010 /nfs/dbraw/zinc/63/40/10/633634010.db2.gz LOFUJXBRFIKCMS-HOCLYGCPSA-N 0 0 274.408 3.286 20 10 CGCDRN O=C(CC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871199533 633722657 /nfs/dbraw/zinc/72/26/57/633722657.db2.gz QXKUUZPBSSYWTC-UHFFFAOYSA-N 0 0 259.349 3.205 20 10 CGCDRN CC1(CC(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000871205436 633725659 /nfs/dbraw/zinc/72/56/59/633725659.db2.gz SOJILKYIEGEQQS-UHFFFAOYSA-N 0 0 259.349 3.205 20 10 CGCDRN C[Si](C)(C)CCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871205216 633725737 /nfs/dbraw/zinc/72/57/37/633725737.db2.gz RUHNNGYQDOIDEU-UHFFFAOYSA-N 0 0 277.440 3.353 20 10 CGCDRN O=C(C1CCC2(CC2)CC1)N1Cc2cccc(O)c2C1 ZINC000871206164 633726102 /nfs/dbraw/zinc/72/61/02/633726102.db2.gz UMBXSKWHCJRRLH-UHFFFAOYSA-N 0 0 271.360 3.205 20 10 CGCDRN CCCCCc1cc(C(=O)N2Cc3cccc(O)c3C2)[nH]n1 ZINC000871206147 633726685 /nfs/dbraw/zinc/72/66/85/633726685.db2.gz TWIXNIRJWZVMKV-UHFFFAOYSA-N 0 0 299.374 3.004 20 10 CGCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C1=CC(=O)CS1 ZINC000829637168 633760369 /nfs/dbraw/zinc/76/03/69/633760369.db2.gz GKIIGTFBIBZMSP-SNVBAGLBSA-N 0 0 289.356 3.190 20 10 CGCDRN Cc1conc1COc1ccc(N2CCCC2)cc1 ZINC000871736559 633848058 /nfs/dbraw/zinc/84/80/58/633848058.db2.gz PFTJQDXSFIDBOC-UHFFFAOYSA-N 0 0 258.321 3.162 20 10 CGCDRN Cc1cncc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000830454943 633863755 /nfs/dbraw/zinc/86/37/55/633863755.db2.gz GAHXCUCOLPEQDV-ZDUSSCGKSA-N 0 0 288.372 3.134 20 10 CGCDRN C[C@H]1CCc2ccccc2[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000831533909 633971978 /nfs/dbraw/zinc/97/19/78/633971978.db2.gz BPAAZSYBQQRMKL-DJJJIMSYSA-N 0 0 294.398 3.251 20 10 CGCDRN COc1ccc(N(Cc2ncc(C)o2)CC2CC2)cc1 ZINC000831587720 633979740 /nfs/dbraw/zinc/97/97/40/633979740.db2.gz IGSNBYRPYLCDRE-UHFFFAOYSA-N 0 0 272.348 3.408 20 10 CGCDRN CC1(NC(=O)C2=CC(=O)CS2)CCC(F)(F)CC1 ZINC000832022708 634022486 /nfs/dbraw/zinc/02/24/86/634022486.db2.gz IPQXQFMPAYDGDQ-UHFFFAOYSA-N 0 0 275.320 3.152 20 10 CGCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000846185337 636155344 /nfs/dbraw/zinc/15/53/44/636155344.db2.gz UVBWNDIFTHSWKZ-TUKIKUTGSA-N 0 0 283.387 3.369 20 10 CGCDRN C[C@@H](CCNC(=O)Cc1ccc(N)cc1)CC(C)(C)C ZINC000832166784 634034572 /nfs/dbraw/zinc/03/45/72/634034572.db2.gz RPRNVORUKOXSCU-ZDUSSCGKSA-N 0 0 276.424 3.390 20 10 CGCDRN Nc1ccc(NC(=O)c2cc(C3CCCCC3)[nH]n2)cc1 ZINC000832244389 634038681 /nfs/dbraw/zinc/03/86/81/634038681.db2.gz OUFTYPSPMGXRMM-UHFFFAOYSA-N 0 0 284.363 3.292 20 10 CGCDRN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(Cl)cc1[O-] ZINC000872114477 634039558 /nfs/dbraw/zinc/03/95/58/634039558.db2.gz WPWXUYQALHGESY-QWRGUYRKSA-N 0 0 297.782 3.040 20 10 CGCDRN CC/C(C)=C/C(=O)NCc1cc(Br)ccc1O ZINC000832446096 634061135 /nfs/dbraw/zinc/06/11/35/634061135.db2.gz NVRZULFKVPDNTG-RMKNXTFCSA-N 0 0 298.180 3.127 20 10 CGCDRN CC1(C)CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000832920026 634104444 /nfs/dbraw/zinc/10/44/44/634104444.db2.gz NRTWWDZLGMFGOK-VIFPVBQESA-N 0 0 253.367 3.010 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC2=CCCCC2)c1 ZINC000101588347 634202613 /nfs/dbraw/zinc/20/26/13/634202613.db2.gz NWTLOHAXCFZQEG-UHFFFAOYSA-N 0 0 276.336 3.281 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894299 634272314 /nfs/dbraw/zinc/27/23/14/634272314.db2.gz KBQPACIWZVGDLZ-SWHYSGLUSA-N 0 0 289.354 3.475 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CCOCC23CCC3)cc1 ZINC000835025890 634324618 /nfs/dbraw/zinc/32/46/18/634324618.db2.gz MMWIVSYWCJPKHB-HWKANZROSA-N 0 0 286.419 3.021 20 10 CGCDRN CCO[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124497346 634347500 /nfs/dbraw/zinc/34/75/00/634347500.db2.gz PCONOZVUNXVLTJ-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN COC(=O)c1ccc(CSc2nccs2)c(F)c1 ZINC000125949350 634835756 /nfs/dbraw/zinc/83/57/56/634835756.db2.gz WCXMDHHBQZHMEB-UHFFFAOYSA-N 0 0 283.349 3.361 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2[nH]ccc2C2CC2)cc1 ZINC000837319978 634886061 /nfs/dbraw/zinc/88/60/61/634886061.db2.gz AMSWKOGJRXBETA-UHFFFAOYSA-N 0 0 297.402 3.230 20 10 CGCDRN CCCNC(=O)c1cccc(NCc2ccc(C)cc2O)c1 ZINC000876842258 634914290 /nfs/dbraw/zinc/91/42/90/634914290.db2.gz INYZSDDJNFRPHQ-UHFFFAOYSA-N 0 0 298.386 3.453 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc(C[S@@](C)=O)c1 ZINC000876862061 634915962 /nfs/dbraw/zinc/91/59/62/634915962.db2.gz JABHEKQBJXSZML-HXUWFJFHSA-N 0 0 289.400 3.191 20 10 CGCDRN CC(C)C[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000837587998 634942794 /nfs/dbraw/zinc/94/27/94/634942794.db2.gz OCLSDNISQVICAC-JPVGGKMYSA-N 0 0 264.321 3.089 20 10 CGCDRN O=C(OC[C@H]1CCCCC1(F)F)c1cccc(O)c1O ZINC000837648929 634957901 /nfs/dbraw/zinc/95/79/01/634957901.db2.gz XSASECNPSUJKON-SECBINFHSA-N 0 0 286.274 3.080 20 10 CGCDRN CN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1ccc(N)cc1 ZINC000877074815 634972466 /nfs/dbraw/zinc/97/24/66/634972466.db2.gz SMAWBZBJWZOQLT-UKRRQHHQSA-N 0 0 294.345 3.447 20 10 CGCDRN CN(C(=O)C(C)(C)C1CCCC1)c1ccc(N)cc1 ZINC000877075564 634973683 /nfs/dbraw/zinc/97/36/83/634973683.db2.gz GXLGVQCBOMJHKF-UHFFFAOYSA-N 0 0 260.381 3.448 20 10 CGCDRN COc1ccc(C[C@@H](C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877076755 634974117 /nfs/dbraw/zinc/97/41/17/634974117.db2.gz VBAWPFBNEBMUED-CYBMUJFWSA-N 0 0 298.386 3.119 20 10 CGCDRN CN(C(=O)C[C@@H]1CCc2ccccc21)c1ccc(N)cc1 ZINC000877078347 634975360 /nfs/dbraw/zinc/97/53/60/634975360.db2.gz MXJKJXVYNMMYMQ-AWEZNQCLSA-N 0 0 280.371 3.352 20 10 CGCDRN Cc1cnc(C(C)(C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877081286 634976435 /nfs/dbraw/zinc/97/64/35/634976435.db2.gz MAFJYDNQQQEKKO-UHFFFAOYSA-N 0 0 298.358 3.460 20 10 CGCDRN C/C=C(\C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554467 635021630 /nfs/dbraw/zinc/02/16/30/635021630.db2.gz BLJDZHAOESHYNE-WEKMIXOTSA-N 0 0 274.408 3.074 20 10 CGCDRN CO[C@@H]1Cc2ccc(NCc3c(C)cccc3O)cc2C1 ZINC000877307526 635022350 /nfs/dbraw/zinc/02/23/50/635022350.db2.gz IHNFKCWOFYJGAM-MRXNPFEDSA-N 0 0 283.371 3.426 20 10 CGCDRN [O-]c1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc(F)c1F ZINC000877464833 635047647 /nfs/dbraw/zinc/04/76/47/635047647.db2.gz RYNXCEBWLNOKFB-AWEZNQCLSA-N 0 0 297.345 3.061 20 10 CGCDRN Cc1ccc(CNc2ccc(C(=O)NC3CC3)cc2)c(O)c1 ZINC000877514034 635065734 /nfs/dbraw/zinc/06/57/34/635065734.db2.gz HEIWYVQICROZEE-UHFFFAOYSA-N 0 0 296.370 3.205 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000840860554 635067757 /nfs/dbraw/zinc/06/77/57/635067757.db2.gz UPNKUWCPHDGWIA-NDMJEZRESA-N 0 0 269.385 3.466 20 10 CGCDRN C[C@@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1csnn1 ZINC000840886187 635074618 /nfs/dbraw/zinc/07/46/18/635074618.db2.gz QYBGWSXPLUKTMB-NQMVMOMDSA-N 0 0 293.367 3.282 20 10 CGCDRN CCn1cc(CN(C)Cc2c(O)cc(C)cc2Cl)cn1 ZINC000840915570 635081214 /nfs/dbraw/zinc/08/12/14/635081214.db2.gz RCSKIBCIIOESAE-UHFFFAOYSA-N 0 0 293.798 3.202 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNCc1ccn(C(C)C)n1 ZINC000840933811 635084618 /nfs/dbraw/zinc/08/46/18/635084618.db2.gz JPIJESCJRAHCIL-UHFFFAOYSA-N 0 0 286.423 3.128 20 10 CGCDRN Cc1nnc([C@H](C)NCc2ccc(N(C)C)cc2C)s1 ZINC000840940239 635086671 /nfs/dbraw/zinc/08/66/71/635086671.db2.gz XKRJQOIFLVKWAF-NSHDSACASA-N 0 0 290.436 3.072 20 10 CGCDRN Cc1cc(O)c(CN[C@H]2C[C@H](C)n3ccnc32)c(Cl)c1 ZINC000840949787 635090595 /nfs/dbraw/zinc/09/05/95/635090595.db2.gz CEAJIGWRIMXSGL-GWCFXTLKSA-N 0 0 291.782 3.346 20 10 CGCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)cc(C(N)=O)c1 ZINC000840949843 635090670 /nfs/dbraw/zinc/09/06/70/635090670.db2.gz CPEQYWZMTYBNFK-UHFFFAOYSA-N 0 0 297.402 3.080 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CS1 ZINC000840958811 635093943 /nfs/dbraw/zinc/09/39/43/635093943.db2.gz OFOQJRWXSYHJOB-VXNVDRBHSA-N 0 0 275.776 3.168 20 10 CGCDRN Nc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000841296806 635148584 /nfs/dbraw/zinc/14/85/84/635148584.db2.gz IKDDGYCPFINBBR-VIFPVBQESA-N 0 0 287.285 3.075 20 10 CGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@@H]2CCCC[C@H]21 ZINC000841295906 635148691 /nfs/dbraw/zinc/14/86/91/635148691.db2.gz JEBJLFPYMLHWHW-BYCMXARLSA-N 0 0 273.380 3.311 20 10 CGCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841299133 635149462 /nfs/dbraw/zinc/14/94/62/635149462.db2.gz GHIIHQNJOPDVIP-UONOGXRCSA-N 0 0 293.436 3.455 20 10 CGCDRN CN1C(=O)/C(=C/c2ccc(C3CC3)cc2)SC1=S ZINC000841495437 635186546 /nfs/dbraw/zinc/18/65/46/635186546.db2.gz IVKVYJKBEVOSHG-WQLSENKSSA-N 0 0 275.398 3.395 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743994 635222315 /nfs/dbraw/zinc/22/23/15/635222315.db2.gz DVAKCUPCJQZEGZ-QMTHXVAHSA-N 0 0 282.815 3.036 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743992 635222919 /nfs/dbraw/zinc/22/29/19/635222919.db2.gz DVAKCUPCJQZEGZ-HZMBPMFUSA-N 0 0 282.815 3.036 20 10 CGCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747925 635224476 /nfs/dbraw/zinc/22/44/76/635224476.db2.gz UWWKUTZTHZLUJE-ZJUUUORDSA-N 0 0 257.761 3.121 20 10 CGCDRN C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(Cl)cc1[O-] ZINC000841751267 635226020 /nfs/dbraw/zinc/22/60/20/635226020.db2.gz HABDMAMOYYJKNJ-LLVKDONJSA-N 0 0 282.815 3.181 20 10 CGCDRN C[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C[C@H](C)O ZINC000841754839 635228763 /nfs/dbraw/zinc/22/87/63/635228763.db2.gz MAPKCBJSNPGNFX-OUAUKWLOSA-N 0 0 271.788 3.103 20 10 CGCDRN C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756952 635229664 /nfs/dbraw/zinc/22/96/64/635229664.db2.gz LPFGRWXCIHAKLV-QWRGUYRKSA-N 0 0 293.798 3.061 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(Cl)cc1[O-] ZINC000841758098 635232205 /nfs/dbraw/zinc/23/22/05/635232205.db2.gz SCJMWWGQRJNTRY-JTQLQIEISA-N 0 0 285.815 3.493 20 10 CGCDRN C[C@H](CCC(C)(C)C)NC(=O)NCCc1ccc(N)cc1 ZINC000841829730 635241305 /nfs/dbraw/zinc/24/13/05/635241305.db2.gz RUCUYRWQPFTVNY-CYBMUJFWSA-N 0 0 291.439 3.325 20 10 CGCDRN CCN(CCOCC1CCC1)c1ccc(OC)c(OC)c1 ZINC000842154128 635299025 /nfs/dbraw/zinc/29/90/25/635299025.db2.gz TUGTZVVMAOLXNR-UHFFFAOYSA-N 0 0 293.407 3.347 20 10 CGCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CC1(C)C ZINC000842192109 635309935 /nfs/dbraw/zinc/30/99/35/635309935.db2.gz VSMNFWSPVJCHRM-KGLIPLIRSA-N 0 0 290.407 3.358 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000842926965 635513367 /nfs/dbraw/zinc/51/33/67/635513367.db2.gz BODCYFVGVOBWQG-SXMVTHIZSA-N 0 0 273.348 3.215 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C\C1CCCC1 ZINC000843820745 635784496 /nfs/dbraw/zinc/78/44/96/635784496.db2.gz YJVYJJLZHHOQBF-KHPPLWFESA-N 0 0 259.349 3.097 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000845237299 636017029 /nfs/dbraw/zinc/01/70/29/636017029.db2.gz NXOALHVMJRPWRE-GWCFXTLKSA-N 0 0 296.798 3.137 20 10 CGCDRN CCc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000128653792 636053916 /nfs/dbraw/zinc/05/39/16/636053916.db2.gz QBIJZBWHIZXNLN-LBPRGKRZSA-N 0 0 299.370 3.454 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1nc(C2CCC2)no1 ZINC000845709768 636084639 /nfs/dbraw/zinc/08/46/39/636084639.db2.gz XBJHSVUJCGHIFR-UHFFFAOYSA-N 0 0 279.727 3.308 20 10 CGCDRN CC(C)C[C@@H](C)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881317731 636098201 /nfs/dbraw/zinc/09/82/01/636098201.db2.gz PBRXFKKKSPAOIV-CYBMUJFWSA-N 0 0 288.395 3.122 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000846052046 636138896 /nfs/dbraw/zinc/13/88/96/636138896.db2.gz JTKYKSNRJWYYFE-LBPRGKRZSA-N 0 0 287.762 3.186 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(F)cc1[O-] ZINC000846205180 636158513 /nfs/dbraw/zinc/15/85/13/636158513.db2.gz NRMNHPDIFNCMRH-NHYWBVRUSA-N 0 0 281.371 3.387 20 10 CGCDRN COC[C@H](C)OC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000867422517 636185881 /nfs/dbraw/zinc/18/58/81/636185881.db2.gz NDEGWMBPULRXDD-JTQLQIEISA-N 0 0 291.347 3.345 20 10 CGCDRN CCC[C@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472405 636187128 /nfs/dbraw/zinc/18/71/28/636187128.db2.gz JWCQXNIAHSOONT-JTQLQIEISA-N 0 0 269.772 3.488 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474673 636187861 /nfs/dbraw/zinc/18/78/61/636187861.db2.gz ZBAAODPTEPYGIS-ZJUUUORDSA-N 0 0 267.756 3.098 20 10 CGCDRN CCC[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475208 636187896 /nfs/dbraw/zinc/18/78/96/636187896.db2.gz DHVSNNFQEQXSJC-VIFPVBQESA-N 0 0 255.745 3.098 20 10 CGCDRN CCc1cc(C)c(C(=O)NCc2cc(Cl)ccc2O)o1 ZINC000846474724 636188158 /nfs/dbraw/zinc/18/81/58/636188158.db2.gz AXVLEUQVDDXNDK-UHFFFAOYSA-N 0 0 293.750 3.439 20 10 CGCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC000846476279 636188649 /nfs/dbraw/zinc/18/86/49/636188649.db2.gz MSOGZMSJDGIDGX-JTQLQIEISA-N 0 0 281.783 3.488 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846476368 636189042 /nfs/dbraw/zinc/18/90/42/636189042.db2.gz KRIVWRUQBBFHEG-MFKMUULPSA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@@H]1CC/C(=C\C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476697 636189117 /nfs/dbraw/zinc/18/91/17/636189117.db2.gz OPZHZNLGBRMTET-UEUZTHOGSA-N 0 0 279.767 3.408 20 10 CGCDRN Clc1cnc(SCO[C@H]2CCCOC2)s1 ZINC000882237165 636294576 /nfs/dbraw/zinc/29/45/76/636294576.db2.gz FVXJFYGUVUIWMH-ZETCQYMHSA-N 0 0 265.787 3.042 20 10 CGCDRN CN(CC1(C)COC1)c1ccc(-c2nccs2)cc1 ZINC000846995911 636303701 /nfs/dbraw/zinc/30/37/01/636303701.db2.gz PXKYUWMBWYXFEC-UHFFFAOYSA-N 0 0 274.389 3.283 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2=CCCCC2)c1 ZINC000106917599 636393107 /nfs/dbraw/zinc/39/31/07/636393107.db2.gz USEVXMKCINNTRH-LBPRGKRZSA-N 0 0 289.375 3.469 20 10 CGCDRN Cc1c(NCc2cc(F)cc(F)c2O)cnn1CC(C)C ZINC000883082509 636533484 /nfs/dbraw/zinc/53/34/84/636533484.db2.gz IXFDSVLBTAJATA-UHFFFAOYSA-N 0 0 295.333 3.443 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000883118061 636544890 /nfs/dbraw/zinc/54/48/90/636544890.db2.gz NTANBUZFQPSVRL-UHFFFAOYSA-N 0 0 281.224 3.103 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000883175300 636567262 /nfs/dbraw/zinc/56/72/62/636567262.db2.gz DDIVRNQLRQOMFI-HNNXBMFYSA-N 0 0 291.297 3.153 20 10 CGCDRN CC1(C)[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1(F)F ZINC000883180204 636568011 /nfs/dbraw/zinc/56/80/11/636568011.db2.gz WEONCMXRJPVHLY-SNVBAGLBSA-N 0 0 277.261 3.051 20 10 CGCDRN C[C@@H]1CCCCN1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000848427372 636575487 /nfs/dbraw/zinc/57/54/87/636575487.db2.gz KZQYPXQSZOKOPF-CQSZACIVSA-N 0 0 289.423 3.179 20 10 CGCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000848926784 636699358 /nfs/dbraw/zinc/69/93/58/636699358.db2.gz ZHEUYGDHJZPALJ-SNVBAGLBSA-N 0 0 299.798 3.113 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCCO1 ZINC000848927495 636700844 /nfs/dbraw/zinc/70/08/44/636700844.db2.gz GNANOEISXINDJP-ZIAGYGMSSA-N 0 0 283.799 3.483 20 10 CGCDRN [NH2+]=C(NCc1cc(Cl)ccc1O)NC1CCCCCC1 ZINC000849049949 636732437 /nfs/dbraw/zinc/73/24/37/636732437.db2.gz WBQIKMKVJZUYND-UHFFFAOYSA-N 0 0 295.814 3.382 20 10 CGCDRN Cc1nccn1CCCSc1ncc(Cl)s1 ZINC000849998962 636924212 /nfs/dbraw/zinc/92/42/12/636924212.db2.gz LHMHLQUIBVALQQ-UHFFFAOYSA-N 0 0 273.814 3.484 20 10 CGCDRN CCCOC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000850000387 636924361 /nfs/dbraw/zinc/92/43/61/636924361.db2.gz SRTFRMUWNAHRQT-ZCFIWIBFSA-N 0 0 265.787 3.230 20 10 CGCDRN Cc1nc(CNc2ccccc2OCC(F)F)[nH]c1C ZINC000850191250 636978859 /nfs/dbraw/zinc/97/88/59/636978859.db2.gz UQIFZGPLWCMMCS-UHFFFAOYSA-N 0 0 281.306 3.283 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000850482266 637085907 /nfs/dbraw/zinc/08/59/07/637085907.db2.gz RBPAQMFVEUBUHF-UKRRQHHQSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@@H]([NH2+]CCC(C)(C)F)c1cc(F)cc(F)c1[O-] ZINC000850530697 637108498 /nfs/dbraw/zinc/10/84/98/637108498.db2.gz BUINANKEXJJHLJ-MRVPVSSYSA-N 0 0 261.287 3.459 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000850544460 637115658 /nfs/dbraw/zinc/11/56/58/637115658.db2.gz XGDHLCMKLIUNPN-UONOGXRCSA-N 0 0 294.414 3.302 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000850570131 637127797 /nfs/dbraw/zinc/12/77/97/637127797.db2.gz DSTMJJWBMOMGLK-RISCZKNCSA-N 0 0 281.371 3.387 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2CCS[C@@H](C)[C@H]2C)c1O ZINC000135834650 637190578 /nfs/dbraw/zinc/19/05/78/637190578.db2.gz NVWHNTOZZWVDEJ-KOLCDFICSA-N 0 0 297.395 3.060 20 10 CGCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886509072 637544390 /nfs/dbraw/zinc/54/43/90/637544390.db2.gz ZPSBTPSXJDVTLO-BLLLJJGKSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522133 637551173 /nfs/dbraw/zinc/55/11/73/637551173.db2.gz DAXQTEGVDHOYNA-RYUDHWBXSA-N 0 0 291.370 3.023 20 10 CGCDRN Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522131 637551357 /nfs/dbraw/zinc/55/13/57/637551357.db2.gz DAXQTEGVDHOYNA-NEPJUHHUSA-N 0 0 291.370 3.023 20 10 CGCDRN Cc1nc(CN(C)c2ccc(OC(C)C)cc2)co1 ZINC000851984465 637563380 /nfs/dbraw/zinc/56/33/80/637563380.db2.gz CQQQLJUXBMMARP-UHFFFAOYSA-N 0 0 260.337 3.407 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1c([O-])cccc1F ZINC000886540873 637565643 /nfs/dbraw/zinc/56/56/43/637565643.db2.gz LZWMWTXRXSOZPT-HTTKSJEASA-N 0 0 279.355 3.140 20 10 CGCDRN CC(C)c1nnc([C@H](C)N[C@H](C)c2c(O)cccc2F)[nH]1 ZINC000886558654 637581046 /nfs/dbraw/zinc/58/10/46/637581046.db2.gz PBJDJXCTHZOKNO-ZJUUUORDSA-N 0 0 292.358 3.185 20 10 CGCDRN CO[C@H](CC[NH2+][C@H](C)c1c([O-])cccc1F)C(F)(F)F ZINC000886596985 637597922 /nfs/dbraw/zinc/59/79/22/637597922.db2.gz STEAKZBNJVAYHV-LDYMZIIASA-N 0 0 295.276 3.149 20 10 CGCDRN CC[C@H](COCC1CC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886636113 637621147 /nfs/dbraw/zinc/62/11/47/637621147.db2.gz GKMPGFYQVGARAK-DGCLKSJQSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1c([O-])cccc1F ZINC000886635166 637621353 /nfs/dbraw/zinc/62/13/53/637621353.db2.gz XSJLMPCHJWTXLO-NWDGAFQWSA-N 0 0 274.339 3.208 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1c([O-])cccc1F ZINC000886638654 637623011 /nfs/dbraw/zinc/62/30/11/637623011.db2.gz ZCQDSOOZWGLBAM-GZMMTYOYSA-N 0 0 273.298 3.473 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1c([O-])cccc1F ZINC000886650459 637630401 /nfs/dbraw/zinc/63/04/01/637630401.db2.gz XJUAPAHQZQNCOG-RISCZKNCSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1c([O-])cccc1F ZINC000886651664 637631217 /nfs/dbraw/zinc/63/12/17/637631217.db2.gz NSURLTKJBXLDTQ-LLVKDONJSA-N 0 0 279.355 3.141 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@H+](C)CC2CCCC2)c1[O-] ZINC000110838383 637706271 /nfs/dbraw/zinc/70/62/71/637706271.db2.gz HLHWQWRPRVQTEY-UHFFFAOYSA-N 0 0 279.355 3.356 20 10 CGCDRN COc1ccc([C@@H](C)NC(=O)C2=CC(=O)CS2)cc1C ZINC000887319971 637796124 /nfs/dbraw/zinc/79/61/24/637796124.db2.gz PCAAYVNTDDOVAJ-SNVBAGLBSA-N 0 0 291.372 3.262 20 10 CGCDRN Cc1ccc(C)c(NC(=O)CN(C)Cc2ccccc2O)c1 ZINC000111236163 637804497 /nfs/dbraw/zinc/80/44/97/637804497.db2.gz UHFZNPJZBLSDEG-UHFFFAOYSA-N 0 0 298.386 3.080 20 10 CGCDRN CC1(C)C[C@]1(C)NC(=O)NCCCSc1nccs1 ZINC000853859128 637943503 /nfs/dbraw/zinc/94/35/03/637943503.db2.gz SMKHLSNXULWIKU-ZDUSSCGKSA-N 0 0 299.465 3.113 20 10 CGCDRN CC[C@H](N[C@H](C)C[NH2+]C)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231110 638028272 /nfs/dbraw/zinc/02/82/72/638028272.db2.gz DUPHHXARWLQTDT-PELKAZGASA-N 0 0 291.222 3.348 20 10 CGCDRN C[C@H]1c2ccc(Cl)n2CCN1C(=O)C1=CC(=O)CS1 ZINC000854482427 638059301 /nfs/dbraw/zinc/05/93/01/638059301.db2.gz KSJFXXZYXHTQFN-QMMMGPOBSA-N 0 0 296.779 3.126 20 10 CGCDRN Cc1cc(CC(=O)N[C@@H]2C=CCC2)c(C)n1-c1ccccc1 ZINC000855433806 638196114 /nfs/dbraw/zinc/19/61/14/638196114.db2.gz GJYCYMZCKOCDOK-QGZVFWFLSA-N 0 0 294.398 3.471 20 10 CGCDRN CC[C@@H](OC1CCCC1)C(=O)N(C)Cc1ccccc1O ZINC000113418754 638205590 /nfs/dbraw/zinc/20/55/90/638205590.db2.gz ATQNZHPFDLBVAU-MRXNPFEDSA-N 0 0 291.391 3.088 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C3CCC3)C2)c(O)c1O ZINC000856173450 638313756 /nfs/dbraw/zinc/31/37/56/638313756.db2.gz PHHBFQJYBXNYPK-CYBMUJFWSA-N 0 0 289.375 3.059 20 10 CGCDRN C[C@@H](NC(=O)NCC[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000924359991 638335023 /nfs/dbraw/zinc/33/50/23/638335023.db2.gz MMPQZCNTCAVBEM-KYOSRNDESA-N 0 0 288.391 3.189 20 10 CGCDRN C[C@H]1c2ccccc2OCCN1C(=O)C1=CC(=O)CS1 ZINC000856484476 638365978 /nfs/dbraw/zinc/36/59/78/638365978.db2.gz PMLUNPINGZEBCJ-JTQLQIEISA-N 0 0 289.356 3.050 20 10 CGCDRN CCCC[C@H](C(=O)NCc1ccccc1O)C(C)C ZINC000857093230 638457918 /nfs/dbraw/zinc/45/79/18/638457918.db2.gz MREOCMSZPORTNR-AWEZNQCLSA-N 0 0 263.381 3.471 20 10 CGCDRN C[C@H](NC(=O)NCC1CC=CC1)c1ccc(N(C)C)cc1 ZINC000858368359 638695697 /nfs/dbraw/zinc/69/56/97/638695697.db2.gz JXQRSARIIITEBA-ZDUSSCGKSA-N 0 0 287.407 3.079 20 10 CGCDRN COc1cccnc1NCCCSc1nccs1 ZINC000858408059 638706191 /nfs/dbraw/zinc/70/61/91/638706191.db2.gz JIEQQVUFRUTCET-UHFFFAOYSA-N 0 0 281.406 3.141 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCS[C@@H](C)C1)c1ccccc1O ZINC000927228312 638850425 /nfs/dbraw/zinc/85/04/25/638850425.db2.gz DWBCHABKEFISMR-TUAOUCFPSA-N 0 0 294.420 3.037 20 10 CGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000929402170 638923896 /nfs/dbraw/zinc/92/38/96/638923896.db2.gz BIJAHAIAZPZVOP-MMTVNHQJSA-N 0 0 286.419 3.051 20 10 CGCDRN CCN(Cc1ccnc(F)c1)c1ccc(OC)cc1 ZINC000859176778 639100357 /nfs/dbraw/zinc/10/03/57/639100357.db2.gz WSVKYBCWZHUSGE-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862025172 639635010 /nfs/dbraw/zinc/63/50/10/639635010.db2.gz OASUVVUJWDPJRD-MQMHXKEQSA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)C(C)(C)C ZINC000862028086 639636073 /nfs/dbraw/zinc/63/60/73/639636073.db2.gz PGLRQWCXQVHOKP-LLVKDONJSA-N 0 0 286.375 3.239 20 10 CGCDRN O=C(C=C1CCCCC1)NCc1ccc2cccnc2c1O ZINC000862028416 639636650 /nfs/dbraw/zinc/63/66/50/639636650.db2.gz YSOPIERNOVRGGN-UHFFFAOYSA-N 0 0 296.370 3.447 20 10 CGCDRN C[C@H](Nc1ccc(CCO)cc1)c1ccccc1O ZINC000040738336 639896249 /nfs/dbraw/zinc/89/62/49/639896249.db2.gz DHEDIHKYZPTWCU-LBPRGKRZSA-N 0 0 257.333 3.100 20 10 CGCDRN Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000041373971 639902732 /nfs/dbraw/zinc/90/27/32/639902732.db2.gz IOSGSZHUZHLHDK-UHFFFAOYSA-N 0 0 296.370 3.084 20 10 CGCDRN CCOc1ccc(N(C)CCCOCC(F)(F)F)cc1 ZINC000157309893 639988861 /nfs/dbraw/zinc/98/88/61/639988861.db2.gz VBDXWBGCSWIWSK-UHFFFAOYSA-N 0 0 291.313 3.491 20 10 CGCDRN Cc1ccc(NC(=O)CSc2nccs2)cc1C ZINC000047238780 640006319 /nfs/dbraw/zinc/00/63/19/640006319.db2.gz IRLVFYNJRNLQAP-UHFFFAOYSA-N 0 0 278.402 3.491 20 10 CGCDRN CC1CCC(O)(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000158790533 640018958 /nfs/dbraw/zinc/01/89/58/640018958.db2.gz AZOKRNHMTQCBOG-UHFFFAOYSA-N 0 0 283.799 3.076 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1O ZINC000048606740 640061646 /nfs/dbraw/zinc/06/16/46/640061646.db2.gz YMCLCKDAZATJJI-UHFFFAOYSA-N 0 0 291.734 3.023 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCCC1CC1 ZINC000074819586 640100374 /nfs/dbraw/zinc/10/03/74/640100374.db2.gz DURFNPMFBUCWCZ-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN CC(C)[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075160195 640121935 /nfs/dbraw/zinc/12/19/35/640121935.db2.gz GUBGMIUNQTUZDH-LBPRGKRZSA-N 0 0 275.392 3.179 20 10 CGCDRN CCc1ccccc1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000189896566 640211566 /nfs/dbraw/zinc/21/15/66/640211566.db2.gz BWOWMTMPVQZNGE-UHFFFAOYSA-N 0 0 296.414 3.174 20 10 CGCDRN Cc1cccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000191568707 640319058 /nfs/dbraw/zinc/31/90/58/640319058.db2.gz FXQFUAWMFOEAKI-NSHDSACASA-N 0 0 289.379 3.232 20 10 CGCDRN CCCCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000079390038 640398820 /nfs/dbraw/zinc/39/88/20/640398820.db2.gz FUTCOOMFVDEJTF-UHFFFAOYSA-N 0 0 262.397 3.339 20 10 CGCDRN Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000080062597 640446871 /nfs/dbraw/zinc/44/68/71/640446871.db2.gz MVSZLZRHIOGPMA-UHFFFAOYSA-N 0 0 298.386 3.351 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccncc2)cc1 ZINC000080069402 640447121 /nfs/dbraw/zinc/44/71/21/640447121.db2.gz DTAYEZYHAYLEIU-UHFFFAOYSA-N 0 0 298.390 3.250 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)C[C@@H](C)O2 ZINC000081389859 640532575 /nfs/dbraw/zinc/53/25/75/640532575.db2.gz FBRUMHZWSNQCDM-IZPAUZPXSA-N 0 0 294.354 3.217 20 10 CGCDRN CN(C)c1ccc(CC2=CCC3(CC2)OCCO3)cc1 ZINC001250432147 805611982 /nfs/dbraw/zinc/61/19/82/805611982.db2.gz XKTGTQBWNNTKFR-UHFFFAOYSA-N 0 0 273.376 3.149 20 10 CGCDRN Cc1ccc2[nH]c(-c3cc(O)c(O)c(O)c3)nc2c1Cl ZINC001251248392 805872629 /nfs/dbraw/zinc/87/26/29/805872629.db2.gz OPFBHNDZVPUZCQ-UHFFFAOYSA-N 0 0 290.706 3.309 20 10 CGCDRN Oc1ccc(CNc2nc(Cl)cc3[nH]ccc32)cc1O ZINC001158994511 806027968 /nfs/dbraw/zinc/02/79/68/806027968.db2.gz MYPBLQHRNPOGGY-UHFFFAOYSA-N 0 0 289.722 3.240 20 10 CGCDRN Cc1cc(NCc2ccc(O)c(O)c2)nc(C(C)(C)C)n1 ZINC001158997309 806029713 /nfs/dbraw/zinc/02/97/13/806029713.db2.gz CHGTWURWXKQGAI-UHFFFAOYSA-N 0 0 287.363 3.106 20 10 CGCDRN COC(=O)c1cc(C)sc1Nc1ccc(N)cc1 ZINC001159171050 806055794 /nfs/dbraw/zinc/05/57/94/806055794.db2.gz HTMBPZHAPRYORJ-UHFFFAOYSA-N 0 0 262.334 3.169 20 10 CGCDRN Nc1ccc(Nc2cncc(OCC3CC3)c2)cc1 ZINC001159485763 806112614 /nfs/dbraw/zinc/11/26/14/806112614.db2.gz QUOJKPIZWCXZCT-UHFFFAOYSA-N 0 0 255.321 3.196 20 10 CGCDRN c1cc2c(c(Nc3ccc4c(c3)CCN4)c1)CCN2 ZINC001159522948 806116589 /nfs/dbraw/zinc/11/65/89/806116589.db2.gz QWTWTGNAFMVXMW-UHFFFAOYSA-N 0 0 251.333 3.366 20 10 CGCDRN Cc1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1O ZINC001160765214 806300795 /nfs/dbraw/zinc/30/07/95/806300795.db2.gz XCPOQIBVFYATRQ-UHFFFAOYSA-N 0 0 293.710 3.269 20 10 CGCDRN Cc1cc(C)c(CNc2ncc([N+](=O)[O-])cc2C)c(O)c1 ZINC001160808661 806305344 /nfs/dbraw/zinc/30/53/44/806305344.db2.gz XIQAJIBKHAXKNJ-UHFFFAOYSA-N 0 0 287.319 3.233 20 10 CGCDRN Cc1cc(C)c(CNc2ncc3ncsc3n2)c(O)c1 ZINC001160809990 806305429 /nfs/dbraw/zinc/30/54/29/806305429.db2.gz HJOVVYJLVYHBFL-UHFFFAOYSA-N 0 0 286.360 3.021 20 10 CGCDRN CCCCS(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC001253849126 806315735 /nfs/dbraw/zinc/31/57/35/806315735.db2.gz LLBBERYJPXUORI-UHFFFAOYSA-N 0 0 285.409 3.366 20 10 CGCDRN COc1c(F)cc(Nc2ccc(N)cc2)cc1F ZINC001211684527 814931960 /nfs/dbraw/zinc/93/19/60/814931960.db2.gz DDRBDHVMWCFVGJ-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN Nc1ccc(CNc2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC001162785457 806665647 /nfs/dbraw/zinc/66/56/47/806665647.db2.gz DZUNYQMCLBFUDQ-UHFFFAOYSA-N 0 0 294.314 3.337 20 10 CGCDRN Nc1ccc(CNc2cncc(N3CCCCCC3)n2)cc1 ZINC001162786976 806665705 /nfs/dbraw/zinc/66/57/05/806665705.db2.gz DNIRXXGWGDGHTP-UHFFFAOYSA-N 0 0 297.406 3.051 20 10 CGCDRN Nc1ccc(CNc2nc(Cl)cc(C3CC3)n2)cc1 ZINC001162786198 806666260 /nfs/dbraw/zinc/66/62/60/806666260.db2.gz UHNLWQPESFIEME-UHFFFAOYSA-N 0 0 274.755 3.202 20 10 CGCDRN Cc1cc2ncnc(NCc3ccc(N)cc3)c2cc1C ZINC001162789921 806666966 /nfs/dbraw/zinc/66/69/66/806666966.db2.gz OERQPCURVYGTFJ-UHFFFAOYSA-N 0 0 278.359 3.441 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(OC)c(F)c2)c1 ZINC000037290192 798865572 /nfs/dbraw/zinc/86/55/72/798865572.db2.gz JBHMGHNJQOTZNT-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000390797675 799475534 /nfs/dbraw/zinc/47/55/34/799475534.db2.gz ULWRJUNERUDSNT-GZMMTYOYSA-N 0 0 257.786 3.029 20 10 CGCDRN CCN(CC)c1ccc(CN[C@H](C)c2csnn2)cc1 ZINC000398411877 799530617 /nfs/dbraw/zinc/53/06/17/799530617.db2.gz MGHQCWZGWAUAML-GFCCVEGCSA-N 0 0 290.436 3.235 20 10 CGCDRN O=C(NCc1ccccc1O)c1csc2c1CCCC2 ZINC000399765064 799542132 /nfs/dbraw/zinc/54/21/32/799542132.db2.gz HVXAEZBWPWDWGS-UHFFFAOYSA-N 0 0 287.384 3.263 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc21 ZINC000588403250 799688816 /nfs/dbraw/zinc/68/88/16/799688816.db2.gz AURNRNYIXHFLCM-ZVTBTPLYSA-N 0 0 295.338 3.261 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc(C)cc1 ZINC000588518675 799705071 /nfs/dbraw/zinc/70/50/71/799705071.db2.gz PFXQBDWHGRCPOU-HJWRWDBZSA-N 0 0 272.373 3.436 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(OC)c2F)c1 ZINC000689992061 799771889 /nfs/dbraw/zinc/77/18/89/799771889.db2.gz FOGQHXJFKOLBMO-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN Oc1cc(Br)ccc1CN1CCC[C@H](F)C1 ZINC000691679557 799787151 /nfs/dbraw/zinc/78/71/51/799787151.db2.gz JZWBODNIRDUIES-NSHDSACASA-N 0 0 288.160 3.089 20 10 CGCDRN CN(C(=O)C1CCC2(CC2)CC1)c1ccc(N)cc1 ZINC000695660238 799830972 /nfs/dbraw/zinc/83/09/72/799830972.db2.gz DMERWBXSDVWHJO-UHFFFAOYSA-N 0 0 258.365 3.202 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CC(F)F ZINC000697752935 799848099 /nfs/dbraw/zinc/84/80/99/799848099.db2.gz NOUIPNSTIOEZRT-IUCAKERBSA-N 0 0 261.287 3.473 20 10 CGCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCS1 ZINC000703257446 799921432 /nfs/dbraw/zinc/92/14/32/799921432.db2.gz PMLPXFMGMRHBTO-CYBMUJFWSA-N 0 0 273.348 3.046 20 10 CGCDRN CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703365477 799923399 /nfs/dbraw/zinc/92/33/99/799923399.db2.gz ONSKHHKNDDKIIA-WDEREUQCSA-N 0 0 287.375 3.434 20 10 CGCDRN CCC(F)(F)CNCc1c(O)cccc1Br ZINC000706835686 799967544 /nfs/dbraw/zinc/96/75/44/799967544.db2.gz MLCSVRGGLYLGAS-UHFFFAOYSA-N 0 0 294.139 3.290 20 10 CGCDRN CC[C@@]1(C)COCCN1Cc1cc(Cl)cc(OC)c1O ZINC000707688666 799978813 /nfs/dbraw/zinc/97/88/13/799978813.db2.gz FVHTWNUWWINEAK-HNNXBMFYSA-N 0 0 299.798 3.055 20 10 CGCDRN CCOc1ncccc1NCc1cc(F)cc(F)c1O ZINC000708466978 799987768 /nfs/dbraw/zinc/98/77/68/799987768.db2.gz WQFBHPJJJLCBNV-UHFFFAOYSA-N 0 0 280.274 3.076 20 10 CGCDRN Cc1ccccc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708420584 799988665 /nfs/dbraw/zinc/98/86/65/799988665.db2.gz KOSSITDQLNYRRP-UHFFFAOYSA-N 0 0 277.314 3.311 20 10 CGCDRN Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708481264 799989934 /nfs/dbraw/zinc/98/99/34/799989934.db2.gz PKCPOTVSZDYYTJ-ZETCQYMHSA-N 0 0 282.290 3.126 20 10 CGCDRN O=C(Nc1ccc(C2CC2)cc1)c1cccc(O)c1O ZINC000709686942 800013774 /nfs/dbraw/zinc/01/37/74/800013774.db2.gz QWYIVVIOLGYFNU-UHFFFAOYSA-N 0 0 269.300 3.228 20 10 CGCDRN C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715716213 800144181 /nfs/dbraw/zinc/14/41/81/800144181.db2.gz DIKXWKCRCPMMGK-JGVFFNPUSA-N 0 0 288.160 3.039 20 10 CGCDRN CCCc1nsc(NCc2cccc(Cl)c2O)n1 ZINC000897391815 800587770 /nfs/dbraw/zinc/58/77/70/800587770.db2.gz BVQMTRKPGFBLEU-UHFFFAOYSA-N 0 0 283.784 3.462 20 10 CGCDRN Oc1c(Cl)cccc1CNc1ncnc2c1CCCC2 ZINC000897392282 800588601 /nfs/dbraw/zinc/58/86/01/800588601.db2.gz VKNKGZGZODWAIF-UHFFFAOYSA-N 0 0 289.766 3.327 20 10 CGCDRN Cc1ccc2ccnc(NC(=O)c3cccc(O)c3O)c2c1 ZINC001163960737 806863228 /nfs/dbraw/zinc/86/32/28/806863228.db2.gz PTZMFFLEHFSCEB-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN O=C(NC/C=C/C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC001117786887 802495172 /nfs/dbraw/zinc/49/51/72/802495172.db2.gz GBDFLRUBHGKORU-ONEGZZNKSA-N 0 0 299.418 3.052 20 10 CGCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)C1CCC1 ZINC001118705252 802593504 /nfs/dbraw/zinc/59/35/04/802593504.db2.gz OFDCBVKEJRXJTB-UHFFFAOYSA-N 0 0 253.367 3.010 20 10 CGCDRN Cc1cc(NCc2ccc(N3CCCC3)cc2)nc(F)n1 ZINC001119397595 802659872 /nfs/dbraw/zinc/65/98/72/802659872.db2.gz QELYYTCUTAGLOI-UHFFFAOYSA-N 0 0 286.354 3.136 20 10 CGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc(N)cc1 ZINC001120505260 802747833 /nfs/dbraw/zinc/74/78/33/802747833.db2.gz ZEOCAIXXKCBQBP-KRWDZBQOSA-N 0 0 295.386 3.064 20 10 CGCDRN CC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1O ZINC001137198596 803695715 /nfs/dbraw/zinc/69/57/15/803695715.db2.gz AEHYSRZYKILLHG-UHFFFAOYSA-N 0 0 295.386 3.370 20 10 CGCDRN C[C@H]([C@H](C)C(=O)NCc1ccccc1O)C(C)(C)C ZINC001137471391 803735706 /nfs/dbraw/zinc/73/57/06/803735706.db2.gz JDWAKUHANWDGGX-NWDGAFQWSA-N 0 0 263.381 3.327 20 10 CGCDRN Cc1ccc2c(c1)C[N@@H+](Cc1c([O-])cccc1F)CC2 ZINC001137831966 803777760 /nfs/dbraw/zinc/77/77/60/803777760.db2.gz VDBLCTMOWNVXMV-UHFFFAOYSA-N 0 0 271.335 3.398 20 10 CGCDRN Cn1c(Nc2cccc(O)c2O)cc2ccccc21 ZINC001212049167 814969416 /nfs/dbraw/zinc/96/94/16/814969416.db2.gz KRJRODKNPPPBJF-UHFFFAOYSA-N 0 0 254.289 3.333 20 10 CGCDRN Cc1c(C[N@H+]2CCOC[C@@H]2C(C)C)c2ccccc2n1C ZINC001138258394 803883702 /nfs/dbraw/zinc/88/37/02/803883702.db2.gz RCACITWSABTIQZ-GOSISDBHSA-N 0 0 286.419 3.344 20 10 CGCDRN CN(Cc1nccs1)Cc1ccc2c(c1)CCCN2C ZINC001138356110 803901266 /nfs/dbraw/zinc/90/12/66/803901266.db2.gz HXVRYSXWDSROGE-UHFFFAOYSA-N 0 0 287.432 3.158 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@@H](F)[C@H](F)C2)c(OC)c1 ZINC001138386507 803913369 /nfs/dbraw/zinc/91/33/69/803913369.db2.gz OYEOLHDXXLKGMR-HUUCEWRRSA-N 0 0 298.377 3.033 20 10 CGCDRN Oc1c(Cl)cccc1Nc1ccncc1Cl ZINC001212155132 814984692 /nfs/dbraw/zinc/98/46/92/814984692.db2.gz FAAXFMOETOWIPZ-UHFFFAOYSA-N 0 0 255.104 3.260 20 10 CGCDRN C[N@H+](Cc1cccc(F)c1)Cc1c(F)ccc(F)c1[O-] ZINC001139685531 804251713 /nfs/dbraw/zinc/25/17/13/804251713.db2.gz MYXRHPOOONBQCS-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN Oc1ccc(F)cc1CN1CCCC[C@@H]1C(F)(F)F ZINC001140055624 804363396 /nfs/dbraw/zinc/36/33/96/804363396.db2.gz NNAPZRMYBQBLMN-GFCCVEGCSA-N 0 0 277.261 3.448 20 10 CGCDRN Oc1cccc(Cl)c1CN1Cc2ncsc2C1 ZINC001140342045 804420484 /nfs/dbraw/zinc/42/04/84/804420484.db2.gz QCAGSYNCFMRSIU-UHFFFAOYSA-N 0 0 266.753 3.018 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCC[C@H]1c1ncccn1 ZINC001140468846 804442702 /nfs/dbraw/zinc/44/27/02/804442702.db2.gz ZTRJUEAADZUEKS-ZDUSSCGKSA-N 0 0 289.766 3.173 20 10 CGCDRN C[N@H+](Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140579838 804466916 /nfs/dbraw/zinc/46/69/16/804466916.db2.gz IYEWTAKREPYRLR-UHFFFAOYSA-N 0 0 263.287 3.302 20 10 CGCDRN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583960 804468499 /nfs/dbraw/zinc/46/84/99/804468499.db2.gz ZUAPBYFIODSNIF-VHSXEESVSA-N 0 0 255.308 3.291 20 10 CGCDRN CC(C)[N@H+](Cc1c([O-])cc(F)cc1F)C1CCOCC1 ZINC001140585253 804468728 /nfs/dbraw/zinc/46/87/28/804468728.db2.gz BRWFCFJQPWHAEM-UHFFFAOYSA-N 0 0 285.334 3.060 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)[C@@H](C)C1 ZINC001140583961 804468734 /nfs/dbraw/zinc/46/87/34/804468734.db2.gz ZUAPBYFIODSNIF-ZJUUUORDSA-N 0 0 255.308 3.291 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001142534671 804733923 /nfs/dbraw/zinc/73/39/23/804733923.db2.gz RWUUMTHHCDBUGC-UHFFFAOYSA-N 0 0 297.345 3.204 20 10 CGCDRN CC(C)(C)c1cccc(CN2CCCC(=O)[C@H](F)C2)c1O ZINC001143103527 804802056 /nfs/dbraw/zinc/80/20/56/804802056.db2.gz FFCIFOCNOTYSJP-CQSZACIVSA-N 0 0 293.382 3.193 20 10 CGCDRN Cc1cc(C)c(CNC(=O)C2=CCCCC2)c(O)c1 ZINC001146726734 805084129 /nfs/dbraw/zinc/08/41/29/805084129.db2.gz AXNILWDOTQBSPW-UHFFFAOYSA-N 0 0 259.349 3.126 20 10 CGCDRN Oc1cccc(Nc2ccc(-c3ncco3)cc2)c1O ZINC001249930190 805311647 /nfs/dbraw/zinc/31/16/47/805311647.db2.gz MDLHLZRGAWWOQE-UHFFFAOYSA-N 0 0 268.272 3.496 20 10 CGCDRN Cc1cc(F)c(C(=O)N[C@H](C)c2ccccc2O)c(F)c1 ZINC001151886013 805319639 /nfs/dbraw/zinc/31/96/39/805319639.db2.gz QUIUHRCIGVQFSL-SNVBAGLBSA-N 0 0 291.297 3.470 20 10 CGCDRN CCOc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001151892356 805320337 /nfs/dbraw/zinc/32/03/37/805320337.db2.gz OVDPAVGYEDETAL-LBPRGKRZSA-N 0 0 285.343 3.282 20 10 CGCDRN CSc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001152566049 805353954 /nfs/dbraw/zinc/35/39/54/805353954.db2.gz SSWWUWNARKNPLS-UHFFFAOYSA-N 0 0 285.368 3.270 20 10 CGCDRN Cn1ccc2c1cccc2C(=O)N1Cc2cccc(O)c2C1 ZINC001152572734 805354879 /nfs/dbraw/zinc/35/48/79/805354879.db2.gz GOZCOCDKAYFKCV-UHFFFAOYSA-N 0 0 292.338 3.040 20 10 CGCDRN CC1=C(C)C[C@@](C)(C(=O)NCc2cc(O)ccc2O)CC1 ZINC001153888209 805419073 /nfs/dbraw/zinc/41/90/73/805419073.db2.gz AQXLCSOAKXFXRK-KRWDZBQOSA-N 0 0 289.375 3.241 20 10 CGCDRN CCOc1ccc(N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC001154251157 805443824 /nfs/dbraw/zinc/44/38/24/805443824.db2.gz FEYIHCUHCWARER-UHFFFAOYSA-N 0 0 277.345 3.129 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc(C(F)F)cn1 ZINC001154890568 805506155 /nfs/dbraw/zinc/50/61/55/805506155.db2.gz CDAHUVDVEXONDT-UHFFFAOYSA-N 0 0 279.290 3.146 20 10 CGCDRN Cc1nc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)co1 ZINC001256941079 807012967 /nfs/dbraw/zinc/01/29/67/807012967.db2.gz QBPVLWVXLDEVMW-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN CC(=O)OCc1cccc(C)c1N(C)c1ccc(N)cc1 ZINC001212772875 815133532 /nfs/dbraw/zinc/13/35/32/815133532.db2.gz GMYDKAKPIDFUFM-UHFFFAOYSA-N 0 0 284.359 3.408 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NC[C@@H](O)C(F)(F)F)cc1 ZINC001169455721 807646032 /nfs/dbraw/zinc/64/60/32/807646032.db2.gz KAIQCLMMLACEGM-CQSZACIVSA-N 0 0 298.308 3.429 20 10 CGCDRN COCOc1ccc(C)cc1NCc1ccc(O)c(O)c1 ZINC001169994922 807735448 /nfs/dbraw/zinc/73/54/48/807735448.db2.gz MJAHIQFFWYXIIU-UHFFFAOYSA-N 0 0 289.331 3.001 20 10 CGCDRN Cc1c(F)cc([N+](=O)[O-])cc1NCc1ccc(O)c(O)c1 ZINC001169996645 807736163 /nfs/dbraw/zinc/73/61/63/807736163.db2.gz DVDCNQRXCKMQSS-UHFFFAOYSA-N 0 0 292.266 3.066 20 10 CGCDRN C[C@H](Nc1nccc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC001262364452 807856285 /nfs/dbraw/zinc/85/62/85/807856285.db2.gz XHNQXLVRXHYTII-NSHDSACASA-N 0 0 281.363 3.197 20 10 CGCDRN CN(Cc1cnn(C)c1)c1ccc(-c2nccs2)cc1 ZINC001170989997 807953373 /nfs/dbraw/zinc/95/33/73/807953373.db2.gz FXLCGRDDXKPFCC-UHFFFAOYSA-N 0 0 284.388 3.180 20 10 CGCDRN COc1cnc(NCc2cc3ccccc3cc2O)nc1C ZINC001171400257 808047033 /nfs/dbraw/zinc/04/70/33/808047033.db2.gz QJFAAOKOEQJHNI-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN Cc1cnc(NCc2cc3ccccc3cc2O)nc1 ZINC001171405246 808047559 /nfs/dbraw/zinc/04/75/59/808047559.db2.gz SRJMAFUAXCCQLK-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN Cc1n[nH]c(C)c1Nc1nc(-c2ccncc2)cs1 ZINC001174213233 808903535 /nfs/dbraw/zinc/90/35/35/808903535.db2.gz QMJUHEUAMJYWSX-UHFFFAOYSA-N 0 0 271.349 3.289 20 10 CGCDRN CCC1CCC(CNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC001291898516 809425019 /nfs/dbraw/zinc/42/50/19/809425019.db2.gz KKUDYAHQHIHTNQ-UHFFFAOYSA-N 0 0 291.391 3.352 20 10 CGCDRN CC1(C)CCC(C)(C)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001301072347 809579204 /nfs/dbraw/zinc/57/92/04/809579204.db2.gz FNTSJNVNWXVWLY-UHFFFAOYSA-N 0 0 291.391 3.068 20 10 CGCDRN Cc1ccc(CNc2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC001178037500 809840305 /nfs/dbraw/zinc/84/03/05/809840305.db2.gz MZMIFOFNKGVLAA-UHFFFAOYSA-N 0 0 296.330 3.402 20 10 CGCDRN Cc1cccc(N)c1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180128754 809977323 /nfs/dbraw/zinc/97/73/23/809977323.db2.gz SGEWGKUKVKSUDT-FMIVXFBMSA-N 0 0 295.386 3.295 20 10 CGCDRN Cc1cc(C)c(CNC(=O)Cc2ccc(C)c(C)c2)c(O)c1 ZINC001180464351 810003925 /nfs/dbraw/zinc/00/39/25/810003925.db2.gz PLSFGORIZBVPML-UHFFFAOYSA-N 0 0 297.398 3.485 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]CCC1Cc2ccccc2C1 ZINC001180848399 810024156 /nfs/dbraw/zinc/02/41/56/810024156.db2.gz IQBWUHNZPJMLOX-UHFFFAOYSA-N 0 0 285.362 3.426 20 10 CGCDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@@H](C2CC2)O1 ZINC001181373937 810048879 /nfs/dbraw/zinc/04/88/79/810048879.db2.gz UUGUGVHLVIILAC-BONVTDFDSA-N 0 0 281.783 3.045 20 10 CGCDRN CCC(C)(C)OC1CN(Cc2ccc(N(C)C)cc2C)C1 ZINC001182918954 810131004 /nfs/dbraw/zinc/13/10/04/810131004.db2.gz SSWSXGGCBKGVJT-UHFFFAOYSA-N 0 0 290.451 3.450 20 10 CGCDRN CCc1ccc(NCc2c(C)cc(OC)cc2O)nc1 ZINC001183492067 810149779 /nfs/dbraw/zinc/14/97/79/810149779.db2.gz VOZCWCNYCASJNG-UHFFFAOYSA-N 0 0 272.348 3.279 20 10 CGCDRN CC[C@@H](C)CCC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001185570269 810276669 /nfs/dbraw/zinc/27/66/69/810276669.db2.gz XWEHECHICONKBH-GFCCVEGCSA-N 0 0 291.391 3.199 20 10 CGCDRN CCCC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC001193082401 810853295 /nfs/dbraw/zinc/85/32/95/810853295.db2.gz NFURVFDIUPYDEZ-ZDUSSCGKSA-N 0 0 277.412 3.131 20 10 CGCDRN COc1cc(C(=O)NC(C)(C)CC(C)(C)C)cc(O)c1O ZINC001193114305 810857409 /nfs/dbraw/zinc/85/74/09/810857409.db2.gz PASCQPWJSBGWBF-UHFFFAOYSA-N 0 0 295.379 3.051 20 10 CGCDRN CCCCCOC(=O)NCc1ccc(N(C)C)cc1 ZINC001193787940 810956029 /nfs/dbraw/zinc/95/60/29/810956029.db2.gz HIOPHUDRWGHZJL-UHFFFAOYSA-N 0 0 264.369 3.169 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cccnc2C2CC2)c(O)c1 ZINC001195570179 811268991 /nfs/dbraw/zinc/26/89/91/811268991.db2.gz SOEFUOUDTXLIQQ-UHFFFAOYSA-N 0 0 296.370 3.211 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(Cl)cn2)cc1 ZINC001195818340 811293961 /nfs/dbraw/zinc/29/39/61/811293961.db2.gz AEFHWISVTBIGDO-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN Cc1cc(F)ccc1NC(=S)NCc1ncccc1F ZINC001196127624 811319998 /nfs/dbraw/zinc/31/99/98/811319998.db2.gz AAVIUOPMSLCHRI-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1csc(NC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC001196415708 811343414 /nfs/dbraw/zinc/34/34/14/811343414.db2.gz ZRBBEXZCFJBZIH-VIFPVBQESA-N 0 0 277.349 3.040 20 10 CGCDRN Cc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001197459957 811424483 /nfs/dbraw/zinc/42/44/83/811424483.db2.gz YPCIWWKQJUSAFZ-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN Cc1ccccc1NC(=S)N1CCc2cccc(O)c2C1 ZINC001198418174 811500773 /nfs/dbraw/zinc/50/07/73/811500773.db2.gz DWTXGUCJFXFYRQ-UHFFFAOYSA-N 0 0 298.411 3.456 20 10 CGCDRN CC(C)COCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001199045360 811557013 /nfs/dbraw/zinc/55/70/13/811557013.db2.gz BOAZZLCMVIPCLM-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN CC(C)(C)NC(=S)NCc1cc2ccccc2cc1O ZINC001200916100 811766205 /nfs/dbraw/zinc/76/62/05/811766205.db2.gz NJYLWJWDXLDERG-UHFFFAOYSA-N 0 0 288.416 3.308 20 10 CGCDRN COc1ccc(Nc2ccc(NC(C)C)cc2)c(C(N)=O)c1 ZINC001201497570 811866994 /nfs/dbraw/zinc/86/69/94/811866994.db2.gz JBVAVLRUDMALTI-UHFFFAOYSA-N 0 0 299.374 3.358 20 10 CGCDRN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202101238 812014499 /nfs/dbraw/zinc/01/44/99/812014499.db2.gz GDNQLVCLSSHSKM-GJZGRUSLSA-N 0 0 299.361 3.354 20 10 CGCDRN Cc1cccc(CNC(=O)Nc2ccc(F)cc2)c1O ZINC001202360489 812074731 /nfs/dbraw/zinc/07/47/31/812074731.db2.gz DXMJZYMCCVPDRX-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN O=C(Nc1ccc(Cl)cc1)Nc1cccc(O)c1O ZINC001202376025 812078609 /nfs/dbraw/zinc/07/86/09/812078609.db2.gz NJTHYDGTZQPCKS-UHFFFAOYSA-N 0 0 278.695 3.395 20 10 CGCDRN CCc1cccc(-c2noc(-c3ccc(O)c(O)c3)n2)c1 ZINC001215304566 815505114 /nfs/dbraw/zinc/50/51/14/815505114.db2.gz RYTNXYQLRJZFRR-UHFFFAOYSA-N 0 0 282.299 3.377 20 10 CGCDRN COc1cc(C)cc(-c2noc(-c3ccc(O)c(O)c3)n2)c1 ZINC001215304085 815505644 /nfs/dbraw/zinc/50/56/44/815505644.db2.gz DIIAWIBAYAMISQ-UHFFFAOYSA-N 0 0 298.298 3.132 20 10 CGCDRN Nc1ccc(Cc2ccc(NC3=CCOC3)cc2)cc1 ZINC001203390527 812339800 /nfs/dbraw/zinc/33/98/00/812339800.db2.gz FMOURIHOWRXMFP-UHFFFAOYSA-N 0 0 266.344 3.186 20 10 CGCDRN Oc1ccccc1CN1CCCC[C@@H]1C(F)(F)F ZINC001203555585 812391446 /nfs/dbraw/zinc/39/14/46/812391446.db2.gz DWJMBWDYQZDJGZ-GFCCVEGCSA-N 0 0 259.271 3.309 20 10 CGCDRN CO[C@H](C)C1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203584525 812400152 /nfs/dbraw/zinc/40/01/52/812400152.db2.gz BNBCFMJCGYHDNI-MRVPVSSYSA-N 0 0 290.190 3.166 20 10 CGCDRN CN(CC(=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC001203664515 812422268 /nfs/dbraw/zinc/42/22/68/812422268.db2.gz ILZIWIFVMNYQLY-UHFFFAOYSA-N 0 0 289.762 3.360 20 10 CGCDRN Oc1ccc(CN2Cc3ccc(Cl)cc3C2)cc1O ZINC001203879072 812478717 /nfs/dbraw/zinc/47/87/17/812478717.db2.gz DUWWNJRQTVFLTF-UHFFFAOYSA-N 0 0 275.735 3.267 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@@H](F)[C@@H](F)C2)cc1 ZINC001203940728 812497847 /nfs/dbraw/zinc/49/78/47/812497847.db2.gz XMZVRWBVVGAVCX-GASCZTMLSA-N 0 0 268.351 3.025 20 10 CGCDRN CC[N@H+](Cc1cccs1)Cc1ccc(O)cc1O ZINC001204281499 812596643 /nfs/dbraw/zinc/59/66/43/812596643.db2.gz SCEBLWGMQKEAAT-UHFFFAOYSA-N 0 0 263.362 3.181 20 10 CGCDRN c1cnc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204320297 812611757 /nfs/dbraw/zinc/61/17/57/812611757.db2.gz RNSUSUFZQNFLNZ-UHFFFAOYSA-N 0 0 279.387 3.198 20 10 CGCDRN CN(Cc1cncs1)Cc1ccc(N2CCCC2)cc1 ZINC001204329166 812614944 /nfs/dbraw/zinc/61/49/44/812614944.db2.gz ZLLBYPUOFJSOEG-UHFFFAOYSA-N 0 0 287.432 3.375 20 10 CGCDRN COc1cc(C[N@H+](C)Cc2ccc(C)cc2)cc(O)c1O ZINC001204341665 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/nfs/dbraw/zinc/99/49/42/812994942.db2.gz HVWVEXKXTYDJPA-UHFFFAOYSA-N 0 0 272.348 3.328 20 10 CGCDRN Oc1cccc(Nc2cc(F)cc(F)c2F)c1O ZINC001206406270 813315636 /nfs/dbraw/zinc/31/56/36/813315636.db2.gz SMHQJHHZEHZEOI-UHFFFAOYSA-N 0 0 255.195 3.259 20 10 CGCDRN CC(C)n1cc(NCc2cc(F)c(F)cc2O)cn1 ZINC001206471825 813329067 /nfs/dbraw/zinc/32/90/67/813329067.db2.gz PAXNSMPMYOBEMV-UHFFFAOYSA-N 0 0 267.279 3.060 20 10 CGCDRN COc1cc(C)c(CNc2cncc(Cl)c2)c(O)c1 ZINC001207563913 813595357 /nfs/dbraw/zinc/59/53/57/813595357.db2.gz IBUUICAFHBQSHI-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN Oc1ccc(F)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209767449 814134643 /nfs/dbraw/zinc/13/46/43/814134643.db2.gz LBYQFMQEVCFZGR-UHFFFAOYSA-N 0 0 260.268 3.079 20 10 CGCDRN Cc1cc(F)c(Nc2ccc3c(c2)OCCN3)cc1O ZINC001209788606 814139922 /nfs/dbraw/zinc/13/99/22/814139922.db2.gz ORPIJKDEMKTJRG-UHFFFAOYSA-N 0 0 274.295 3.388 20 10 CGCDRN O=C1c2ccccc2-c2cccc(Nc3ccnnc3)c21 ZINC001209960134 814214287 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C[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332636 818584139 /nfs/dbraw/zinc/58/41/39/818584139.db2.gz RYMFHXAMPRXYBC-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN CC(C)OC1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334784 818585385 /nfs/dbraw/zinc/58/53/85/818585385.db2.gz SZVGUNJHXJQVTG-UHFFFAOYSA-N 0 0 285.334 3.060 20 10 CGCDRN [O-]c1c(C[NH+]2CC3CC(C3)C2)cccc1C(F)(F)F ZINC001233419301 818614492 /nfs/dbraw/zinc/61/44/92/818614492.db2.gz SLRHMTICOZRPHR-UHFFFAOYSA-N 0 0 271.282 3.253 20 10 CGCDRN Oc1c(C[N@@H+]2CCC[C@@H]2CF)cccc1OC(F)(F)F ZINC001233776163 818702731 /nfs/dbraw/zinc/70/27/31/818702731.db2.gz LRLNKDVQNPRTQZ-SNVBAGLBSA-N 0 0 293.260 3.225 20 10 CGCDRN Cn1c(-c2cccc3c2CC(=O)N3)cc2ccccc21 ZINC001243352459 823360796 /nfs/dbraw/zinc/36/07/96/823360796.db2.gz KRDTVYDPTAHGHU-UHFFFAOYSA-N 0 0 262.312 3.340 20 10 CGCDRN Cn1ccc2ccc(-c3cnn(Cc4ccccn4)c3)cc21 ZINC001236430554 819475679 /nfs/dbraw/zinc/47/56/79/819475679.db2.gz GAXPVJDFUXPDBW-UHFFFAOYSA-N 0 0 288.354 3.485 20 10 CGCDRN CN(Cc1cnccn1)Cc1cc(Cl)c(Cl)cc1O ZINC001236795981 819596569 /nfs/dbraw/zinc/59/65/69/819596569.db2.gz LYRWVJPJLYNUJT-UHFFFAOYSA-N 0 0 298.173 3.121 20 10 CGCDRN Oc1cc(Cl)c(Cl)cc1CN1Cc2cncnc2C1 ZINC001236792673 819597513 /nfs/dbraw/zinc/59/75/13/819597513.db2.gz GRAOVDWTPSPYRB-UHFFFAOYSA-N 0 0 296.157 3.005 20 10 CGCDRN CC1(C)COCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236795201 819597992 /nfs/dbraw/zinc/59/79/92/819597992.db2.gz BSAKBIXSHGSTNR-UHFFFAOYSA-N 0 0 290.190 3.310 20 10 CGCDRN CC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795322 819598113 /nfs/dbraw/zinc/59/81/13/819598113.db2.gz CBWLTLKPIGBJGC-SECBINFHSA-N 0 0 288.174 3.110 20 10 CGCDRN COc1cc(O)c(CN2CC[C@@H](C)[C@H](F)C2)c(Cl)c1 ZINC001236798908 819598944 /nfs/dbraw/zinc/59/89/44/819598944.db2.gz QCXJYMXVBHRPFP-NOZJJQNGSA-N 0 0 287.762 3.234 20 10 CGCDRN COc1ccc(C[N@@H+]2CC[C@](C)(CF)C2)c([O-])c1Cl ZINC001236802532 819601211 /nfs/dbraw/zinc/60/12/11/819601211.db2.gz RZHNXKKLZCEOFQ-CQSZACIVSA-N 0 0 287.762 3.236 20 10 CGCDRN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237049991 819651962 /nfs/dbraw/zinc/65/19/62/819651962.db2.gz VJJXFSNRHLHRGX-OAHLLOKOSA-N 0 0 275.392 3.317 20 10 CGCDRN Oc1ccc(F)c(Cl)c1CN1Cc2ncsc2C1 ZINC001237131142 819675229 /nfs/dbraw/zinc/67/52/29/819675229.db2.gz UAXPFDCKEYOPKY-UHFFFAOYSA-N 0 0 284.743 3.157 20 10 CGCDRN CC[N@H+](Cc1cc2ccccn2n1)Cc1ccccc1O ZINC001237448714 819751635 /nfs/dbraw/zinc/75/16/35/819751635.db2.gz DZOMOZBCTYQHGA-UHFFFAOYSA-N 0 0 281.359 3.062 20 10 CGCDRN CCCCOC1CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC001237687522 819806019 /nfs/dbraw/zinc/80/60/19/819806019.db2.gz KQDFLBNFYOUPDR-UHFFFAOYSA-N 0 0 283.799 3.355 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237800042 819845418 /nfs/dbraw/zinc/84/54/18/819845418.db2.gz VMPYULBAZPNNRD-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC001238061944 819920783 /nfs/dbraw/zinc/92/07/83/819920783.db2.gz MEJRRWKDMFYJQR-ZDUSSCGKSA-N 0 0 271.282 3.071 20 10 CGCDRN 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CC[C@H](C)[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000294183898 372605853 /nfs/dbraw/zinc/60/58/53/372605853.db2.gz KIJXDSJHXZIWFO-GXFFZTMASA-N 0 0 271.788 3.196 20 10 CGCDRN COc1ccc(CNCc2cc(F)cnc2Cl)cc1C ZINC000295187120 372697596 /nfs/dbraw/zinc/69/75/96/372697596.db2.gz WTKQILUZNJMAJM-UHFFFAOYSA-N 0 0 294.757 3.481 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000294780833 372672729 /nfs/dbraw/zinc/67/27/29/372672729.db2.gz GTYBBNBAARZICS-JSGCOSHPSA-N 0 0 261.365 3.177 20 10 CGCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000295024073 372686376 /nfs/dbraw/zinc/68/63/76/372686376.db2.gz HPXBDZAJGNIJMA-JSGCOSHPSA-N 0 0 261.365 3.225 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000171587124 372791780 /nfs/dbraw/zinc/79/17/80/372791780.db2.gz HSMRBFGSIBHJMR-UHFFFAOYSA-N 0 0 298.386 3.451 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CSC1CC1 ZINC000295959399 372973295 /nfs/dbraw/zinc/97/32/95/372973295.db2.gz JUPZYSHBSGPCNG-UHFFFAOYSA-N 0 0 293.432 3.417 20 10 CGCDRN C[C@H]1C[C@@H](NCc2ccc3c(c2)CCCN3C)c2nccn21 ZINC000297634822 373277309 /nfs/dbraw/zinc/27/73/09/373277309.db2.gz JMYPWZYLUMLKJK-XJKSGUPXSA-N 0 0 296.418 3.061 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1ccc(N3CCCC3)nc1)CC2 ZINC000297129029 373257453 /nfs/dbraw/zinc/25/74/53/373257453.db2.gz YVYJPDFPEAAOBZ-HNNXBMFYSA-N 0 0 295.386 3.487 20 10 CGCDRN CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC000297340048 373265829 /nfs/dbraw/zinc/26/58/29/373265829.db2.gz YHMXCHBJYWGRJC-HNNXBMFYSA-N 0 0 274.408 3.492 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(C)n1 ZINC000298388996 373311691 /nfs/dbraw/zinc/31/16/91/373311691.db2.gz ODYGAYOVSUZVLB-UHFFFAOYSA-N 0 0 298.386 3.456 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(C3CC3)s2)cc1 ZINC000301702875 373799150 /nfs/dbraw/zinc/79/91/50/373799150.db2.gz UKZJFTPCZBPLNH-UHFFFAOYSA-N 0 0 274.393 3.094 20 10 CGCDRN CN(Cc1ccccc1O)c1nc2ccccc2cc1CO ZINC000302600525 373903466 /nfs/dbraw/zinc/90/34/66/373903466.db2.gz BZTTVHZMADKIMN-UHFFFAOYSA-N 0 0 294.354 3.069 20 10 CGCDRN Cc1cnc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000302442631 373869133 /nfs/dbraw/zinc/86/91/33/373869133.db2.gz ROUKPMTVSAXJHW-ZDUSSCGKSA-N 0 0 270.380 3.333 20 10 CGCDRN CN(Cc1ccccc1O)c1cc(C(F)(F)F)ccn1 ZINC000302674414 373922557 /nfs/dbraw/zinc/92/25/57/373922557.db2.gz SZSXUTGRKZKJFI-UHFFFAOYSA-N 0 0 282.265 3.442 20 10 CGCDRN CCn1nccc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000180771115 374044965 /nfs/dbraw/zinc/04/49/65/374044965.db2.gz AFELJRQKQHUFNM-UHFFFAOYSA-N 0 0 279.771 3.201 20 10 CGCDRN CC[C@H](CC1CCCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182520391 374285296 /nfs/dbraw/zinc/28/52/96/374285296.db2.gz AAOQZLLJFCFVTR-CQSZACIVSA-N 0 0 291.391 3.321 20 10 CGCDRN C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185119671 374592411 /nfs/dbraw/zinc/59/24/11/374592411.db2.gz KPLOXPUZYWHABV-NWDGAFQWSA-N 0 0 289.350 3.435 20 10 CGCDRN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000185818517 374745068 /nfs/dbraw/zinc/74/50/68/374745068.db2.gz YDPUBHXCSLFVBE-VUDBWIFFSA-N 0 0 290.190 3.116 20 10 CGCDRN CCC(CC)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471477985 375002951 /nfs/dbraw/zinc/00/29/51/375002951.db2.gz WWRPWBKJYIRHIS-UHFFFAOYSA-N 0 0 287.407 3.475 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC=CCC1 ZINC000471907409 375008511 /nfs/dbraw/zinc/00/85/11/375008511.db2.gz NWVJZHBSVUHBHE-CQSZACIVSA-N 0 0 297.402 3.395 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000472230410 375010876 /nfs/dbraw/zinc/01/08/76/375010876.db2.gz OHMLAWFPQMQQKH-STQMWFEESA-N 0 0 299.418 3.284 20 10 CGCDRN C/C=C(\CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000190605807 375523550 /nfs/dbraw/zinc/52/35/50/375523550.db2.gz FOUFHFDLOQECIS-LNKIKWGQSA-N 0 0 272.392 3.042 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)OC(C)C ZINC000496758594 375554436 /nfs/dbraw/zinc/55/44/36/375554436.db2.gz YDXBAGHVAFSPLV-UHFFFAOYSA-N 0 0 260.337 3.121 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000191603756 375644465 /nfs/dbraw/zinc/64/44/65/375644465.db2.gz QRJQCNDNDHHNHI-YGRLFVJLSA-N 0 0 299.773 3.232 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O=[N+]([O-])c1ccccc1/C=C\CN(CCO)c1ccccc1 ZINC000351496997 379724893 /nfs/dbraw/zinc/72/48/93/379724893.db2.gz VEPDCUWRCMIELH-VURMDHGXSA-N 0 0 298.342 3.107 20 10 CGCDRN O=C(COC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000731912248 572436418 /nfs/dbraw/zinc/43/64/18/572436418.db2.gz RTCKUJKSPAQCQS-UHFFFAOYSA-N 0 0 296.731 3.147 20 10 CGCDRN CCSCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000282602761 379953615 /nfs/dbraw/zinc/95/36/15/379953615.db2.gz WMHJXQYGYHANQB-UHFFFAOYSA-N 0 0 259.802 3.278 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000286141263 380165658 /nfs/dbraw/zinc/16/56/58/380165658.db2.gz OYSCGIQKCIGEQP-WCQYABFASA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)SC)c1ccc(F)cc1[O-] ZINC000286170330 380171086 /nfs/dbraw/zinc/17/10/86/380171086.db2.gz PTULTAOPXXQSDJ-CABZTGNLSA-N 0 0 257.374 3.324 20 10 CGCDRN CCCCc1noc([C@H](C)N(C)Cc2ccccc2O)n1 ZINC000109773274 392373064 /nfs/dbraw/zinc/37/30/64/392373064.db2.gz IEVKWSKLKWATGG-LBPRGKRZSA-N 0 0 289.379 3.311 20 10 CGCDRN C[C@@H](CN1CCCCC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124698860 392435360 /nfs/dbraw/zinc/43/53/60/392435360.db2.gz QUAWPJALVLEDHW-LBPRGKRZSA-N 0 0 282.815 3.010 20 10 CGCDRN COc1cc(N(C)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000301908722 392602692 /nfs/dbraw/zinc/60/26/92/392602692.db2.gz FFCZXSMNESLCNF-UHFFFAOYSA-N 0 0 294.351 3.381 20 10 CGCDRN Cc1nc(COc2ccc(N3CCCC3)cc2)oc1C ZINC000178197501 392674518 /nfs/dbraw/zinc/67/45/18/392674518.db2.gz CFHAEAJIVBHRAP-UHFFFAOYSA-N 0 0 272.348 3.471 20 10 CGCDRN Cc1cc(C(=O)N2CCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000173118586 392624371 /nfs/dbraw/zinc/62/43/71/392624371.db2.gz QWCOZIKTARSICH-LBPRGKRZSA-N 0 0 283.375 3.114 20 10 CGCDRN CCCN(Cc1cscn1)Cc1ccccc1O ZINC000174373202 392640506 /nfs/dbraw/zinc/64/05/06/392640506.db2.gz BWIGKMGMGHJHCD-UHFFFAOYSA-N 0 0 262.378 3.261 20 10 CGCDRN Oc1ccc(F)cc1CN1CCOC[C@H]1c1ccccc1 ZINC000374891061 392714220 /nfs/dbraw/zinc/71/42/20/392714220.db2.gz FRPNVEXHJGYUIZ-INIZCTEOSA-N 0 0 287.334 3.105 20 10 CGCDRN CCOC(=O)[C@H](NCc1cc(C)ccc1O)c1ccccc1 ZINC000194748348 392936999 /nfs/dbraw/zinc/93/69/99/392936999.db2.gz PVHYLGAKUYBFAY-QGZVFWFLSA-N 0 0 299.370 3.095 20 10 CGCDRN CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccccc1O ZINC000274734157 393288677 /nfs/dbraw/zinc/28/86/77/393288677.db2.gz CPSFHSXZNIEOQB-GDBMZVCRSA-N 0 0 277.408 3.230 20 10 CGCDRN O=C(N[C@H]1C[C@H]1C1CCCCC1)C1=CC(=O)CS1 ZINC000743655580 572676798 /nfs/dbraw/zinc/67/67/98/572676798.db2.gz UNFHAPMOFXPMGD-RYUDHWBXSA-N 0 0 265.378 3.152 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273607904 292076279 /nfs/dbraw/zinc/07/62/79/292076279.db2.gz USYPEPKIDWEBJO-QWRGUYRKSA-N 0 0 296.367 3.155 20 10 CGCDRN Cc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000042879005 174901677 /nfs/dbraw/zinc/90/16/77/174901677.db2.gz JGWRCAIXLDVDGH-UHFFFAOYSA-N 0 0 257.289 3.041 20 10 CGCDRN O=[N+]([O-])c1ccc(NCc2ccccc2O)c(F)c1 ZINC000043473675 175054125 /nfs/dbraw/zinc/05/41/25/175054125.db2.gz SPCFJYIGOUCAHM-UHFFFAOYSA-N 0 0 262.240 3.052 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000349923294 226889497 /nfs/dbraw/zinc/88/94/97/226889497.db2.gz VZNMIZQJBUBALD-TZMCWYRMSA-N 0 0 299.418 3.475 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nc(C(C)C)no1 ZINC000301340435 227515463 /nfs/dbraw/zinc/51/54/63/227515463.db2.gz PZEJAGNZSHDGLM-UHFFFAOYSA-N 0 0 274.368 3.180 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000158551674 261167279 /nfs/dbraw/zinc/16/72/79/261167279.db2.gz NUZZIVYVMZKWSH-YOEHRIQHSA-N 0 0 298.386 3.001 20 10 CGCDRN CCc1nnc(CSc2ncc(-c3ccccc3)n2C)[nH]1 ZINC000181738022 261909584 /nfs/dbraw/zinc/90/95/84/261909584.db2.gz FTLPVYDSBOOPQU-UHFFFAOYSA-N 0 0 299.403 3.060 20 10 CGCDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185098893 262040993 /nfs/dbraw/zinc/04/09/93/262040993.db2.gz NMGPCTIGCZBYHU-SJCJKPOMSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185501372 262057189 /nfs/dbraw/zinc/05/71/89/262057189.db2.gz NPPUOBAUXDUJSN-VHSXEESVSA-N 0 0 292.354 3.418 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(OC)c1 ZINC000299568223 263247303 /nfs/dbraw/zinc/24/73/03/263247303.db2.gz AVXXVKFUBAIKCP-UHFFFAOYSA-N 0 0 299.370 3.453 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000287872309 288067487 /nfs/dbraw/zinc/06/74/87/288067487.db2.gz XZLRWTXHILAMCZ-MFKMUULPSA-N 0 0 269.772 3.265 20 10 CGCDRN CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000124512529 288333020 /nfs/dbraw/zinc/33/30/20/288333020.db2.gz AVMDMTQNDRZNBI-PWSUYJOCSA-N 0 0 269.772 3.045 20 10 CGCDRN CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271805861 328197357 /nfs/dbraw/zinc/19/73/57/328197357.db2.gz JVRIFIPDWZUSPL-OCCSQVGLSA-N 0 0 283.799 3.339 20 10 CGCDRN CCCc1nc(C)c(CNCc2ccc3c(c2)CCO3)o1 ZINC000291681908 328265620 /nfs/dbraw/zinc/26/56/20/328265620.db2.gz HWQOQJKRJHDVEN-UHFFFAOYSA-N 0 0 286.375 3.160 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227521965 329327059 /nfs/dbraw/zinc/32/70/59/329327059.db2.gz LWTCBOSOKURIBT-LBPRGKRZSA-N 0 0 269.772 3.094 20 10 CGCDRN CC(C)OCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000228837589 329348557 /nfs/dbraw/zinc/34/85/57/329348557.db2.gz JAUWKHHRGDIPFC-UHFFFAOYSA-N 0 0 271.788 3.340 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC1(C)C ZINC000527176528 330231643 /nfs/dbraw/zinc/23/16/43/330231643.db2.gz WJPYEOLHHSQTHE-UHFFFAOYSA-N 0 0 285.391 3.181 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccccc1F ZINC000186432135 333160629 /nfs/dbraw/zinc/16/06/29/333160629.db2.gz KFUIZYZRCNLCKF-BQYQJAHWSA-N 0 0 276.336 3.267 20 10 CGCDRN CN(C(=O)/C=C/c1cccnc1)c1c(F)cccc1F ZINC000194227425 333267754 /nfs/dbraw/zinc/26/77/54/333267754.db2.gz VLBDYMYBBLOTBD-BQYQJAHWSA-N 0 0 274.270 3.036 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ncc(Cl)cn2)c1 ZINC000301491048 534205911 /nfs/dbraw/zinc/20/59/11/534205911.db2.gz MXWPVLCNCLJZTO-QMMMGPOBSA-N 0 0 279.727 3.017 20 10 CGCDRN CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000274906361 519421282 /nfs/dbraw/zinc/42/12/82/519421282.db2.gz IOMXHKVSCRCBKN-HUUCEWRRSA-N 0 0 281.371 3.215 20 10 CGCDRN CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000264047381 519900199 /nfs/dbraw/zinc/90/01/99/519900199.db2.gz BGGDBTFDGILXDD-UHFFFAOYSA-N 0 0 288.391 3.044 20 10 CGCDRN CCCCCC[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122770651 520125839 /nfs/dbraw/zinc/12/58/39/520125839.db2.gz PDNUYRBLWQTNAJ-ZDUSSCGKSA-N 0 0 293.407 3.363 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C(C)(F)F ZINC000293270405 521319519 /nfs/dbraw/zinc/31/95/19/521319519.db2.gz NJHNNOJOYXLOCU-LBPRGKRZSA-N 0 0 298.377 3.392 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccn(C)c1 ZINC000277092576 521686816 /nfs/dbraw/zinc/68/68/16/521686816.db2.gz PTIJUPYCWJVEAI-CMDGGOBGSA-N 0 0 298.386 3.183 20 10 CGCDRN CC[C@H](C)c1nnc([C@@H](C)NCc2cc(F)ccc2O)[nH]1 ZINC000277340650 522052560 /nfs/dbraw/zinc/05/25/60/522052560.db2.gz UZLPDRDOJDNKEH-VHSXEESVSA-N 0 0 292.358 3.014 20 10 CGCDRN CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(N)cc1 ZINC000297233950 522895210 /nfs/dbraw/zinc/89/52/10/522895210.db2.gz PEWQMAGKVXRASG-INIZCTEOSA-N 0 0 298.386 3.051 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000131996620 523289708 /nfs/dbraw/zinc/28/97/08/523289708.db2.gz DFNUADIOLBISBH-OCCSQVGLSA-N 0 0 276.380 3.112 20 10 CGCDRN COc1ccc(CNCc2nc(C)cs2)cc1C ZINC000037988494 524073942 /nfs/dbraw/zinc/07/39/42/524073942.db2.gz JOHUQXRJNIXQHD-UHFFFAOYSA-N 0 0 262.378 3.058 20 10 CGCDRN C[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1O ZINC000299500538 524242367 /nfs/dbraw/zinc/24/23/67/524242367.db2.gz LSUQNHZQXXWZMM-CQSZACIVSA-N 0 0 298.386 3.213 20 10 CGCDRN C[C@@H]1CCC[C@H](CC(=O)NCCc2ccc(N)cc2)C1 ZINC000237605606 524369546 /nfs/dbraw/zinc/36/95/46/524369546.db2.gz JAYONBZPENMNTB-HIFRSBDPSA-N 0 0 274.408 3.144 20 10 CGCDRN C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278652492 524507784 /nfs/dbraw/zinc/50/77/84/524507784.db2.gz IFJLSGPHFRURAY-IUCAKERBSA-N 0 0 292.206 3.368 20 10 CGCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)c1ccccc1 ZINC000237638989 525135440 /nfs/dbraw/zinc/13/54/40/525135440.db2.gz IOMUBBYGGBNQBG-CQSZACIVSA-N 0 0 296.414 3.294 20 10 CGCDRN Cc1ccccc1NCCC(=O)N(C)Cc1ccccc1O ZINC000269176124 525269483 /nfs/dbraw/zinc/26/94/83/525269483.db2.gz ZRETUKYOVNTCFV-UHFFFAOYSA-N 0 0 298.386 3.161 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278336704 525419212 /nfs/dbraw/zinc/41/92/12/525419212.db2.gz XADDQEQNGAXICI-DTWKUNHWSA-N 0 0 290.190 3.386 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278890110 525472577 /nfs/dbraw/zinc/47/25/77/525472577.db2.gz YNUAZTZYCJHXFL-RKDXNWHRSA-N 0 0 291.222 3.300 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000042411925 525531758 /nfs/dbraw/zinc/53/17/58/525531758.db2.gz CTEZJBLCQMZQHU-MRVPVSSYSA-N 0 0 270.170 3.043 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)cc1[O-] ZINC000062747995 525536625 /nfs/dbraw/zinc/53/66/25/525536625.db2.gz FSMHGLBERCKHSD-SNVBAGLBSA-N 0 0 289.306 3.111 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1[O-] ZINC000062745003 525615285 /nfs/dbraw/zinc/61/52/85/525615285.db2.gz NLMPAYNEDFIOKZ-MNOVXSKESA-N 0 0 260.312 3.338 20 10 CGCDRN Cc1cc[nH]c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000280805301 525702463 /nfs/dbraw/zinc/70/24/63/525702463.db2.gz SLZWMPMMVZLAHS-UHFFFAOYSA-N 0 0 299.418 3.440 20 10 CGCDRN Cc1csc(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC000129324941 526340946 /nfs/dbraw/zinc/34/09/46/526340946.db2.gz MEHFABJCWUXSCT-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN Nc1ccc(CCNC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000237960009 527481211 /nfs/dbraw/zinc/48/12/11/527481211.db2.gz GIYFHOWFJJLLGX-UHFFFAOYSA-N 0 0 294.398 3.120 20 10 CGCDRN CC(C)c1ccccc1N(C)C(=O)/C=C/c1cnccn1 ZINC000493609145 535376160 /nfs/dbraw/zinc/37/61/60/535376160.db2.gz GVKSUWHSMUJFCP-CMDGGOBGSA-N 0 0 281.359 3.276 20 10 CGCDRN CCN(C(=O)/C=C/c1cncs1)c1ccccc1OC ZINC000493671526 535655385 /nfs/dbraw/zinc/65/53/85/535655385.db2.gz BBKIWGIMOTXPBY-CMDGGOBGSA-N 0 0 288.372 3.218 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)OCC(C)C ZINC000727168867 571729301 /nfs/dbraw/zinc/72/93/01/571729301.db2.gz YSVFJSUSQYREFV-CQSZACIVSA-N 0 0 293.407 3.192 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2F)c1 ZINC000728983765 571852265 /nfs/dbraw/zinc/85/22/65/571852265.db2.gz FHZMZMAGESAYGV-SNVBAGLBSA-N 0 0 289.306 3.031 20 10 CGCDRN Cc1cc(C(=O)O[C@H](C)C2CC2)c(C)n1-c1ccccn1 ZINC000729085280 571870676 /nfs/dbraw/zinc/87/06/76/571870676.db2.gz UFPQNHYRCMBECN-CYBMUJFWSA-N 0 0 284.359 3.444 20 10 CGCDRN COc1cccc(CNC(=O)C[C@H]2CCCC[C@@H]2C)c1O ZINC000729860032 571934482 /nfs/dbraw/zinc/93/44/82/571934482.db2.gz PZMASDJLPKBNSR-QWHCGFSZSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(N(Cc2cnc(C)nc2)C(C)C)cc1F ZINC000725816553 572416246 /nfs/dbraw/zinc/41/62/46/572416246.db2.gz XQGSJRHBSKWCEL-UHFFFAOYSA-N 0 0 289.354 3.348 20 10 CGCDRN CN(CC1CCCCC1)C(=O)C1=CC(=O)CS1 ZINC000732266923 572455092 /nfs/dbraw/zinc/45/50/92/572455092.db2.gz QAWWRRTWWQZFNL-UHFFFAOYSA-N 0 0 253.367 3.106 20 10 CGCDRN CCOc1ccc(NC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732273716 572456839 /nfs/dbraw/zinc/45/68/39/572456839.db2.gz JEYHXJVWFIGGCL-UHFFFAOYSA-N 0 0 277.345 3.413 20 10 CGCDRN CC(C)Oc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000732276197 572456965 /nfs/dbraw/zinc/45/69/65/572456965.db2.gz WQOSIPGNZZRRIJ-UHFFFAOYSA-N 0 0 291.372 3.171 20 10 CGCDRN COc1cc(C)ccc1NC(=O)C1=CC(=O)CS1 ZINC000732274524 572456986 /nfs/dbraw/zinc/45/69/86/572456986.db2.gz UUJDQKFTGJAVJW-UHFFFAOYSA-N 0 0 263.318 3.023 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](c2ccccc2)C1 ZINC000732279518 572458138 /nfs/dbraw/zinc/45/81/38/572458138.db2.gz SNNVDUJMSHEEDN-GFCCVEGCSA-N 0 0 273.357 3.083 20 10 CGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)C1=CC(=O)CS1)CC2 ZINC000732289722 572459049 /nfs/dbraw/zinc/45/90/49/572459049.db2.gz WDDXZZYJKWGRLB-ZDUSSCGKSA-N 0 0 273.357 3.179 20 10 CGCDRN O=C(OCc1cc(F)ccc1F)C1=CC(=O)CS1 ZINC000732353945 572461278 /nfs/dbraw/zinc/46/12/78/572461278.db2.gz MDDDPZGHJGREHO-UHFFFAOYSA-N 0 0 270.256 3.089 20 10 CGCDRN Cc1ccccc1OCCCOC(=O)C1=CC(=O)CS1 ZINC000732354122 572461315 /nfs/dbraw/zinc/46/13/15/572461315.db2.gz DTLIYYBGIPDLMZ-UHFFFAOYSA-N 0 0 292.356 3.388 20 10 CGCDRN C[C@H]1CCCC[C@H]1OCCOC(=O)C1=CC(=O)CS1 ZINC000732353987 572461449 /nfs/dbraw/zinc/46/14/49/572461449.db2.gz XTMFCYXEZYTFKI-CMPLNLGQSA-N 0 0 284.377 3.206 20 10 CGCDRN CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000740920766 572468310 /nfs/dbraw/zinc/46/83/10/572468310.db2.gz OLXCVJSALQFCJS-TZMCWYRMSA-N 0 0 276.380 3.160 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)C(F)(F)F)cc1 ZINC000725879946 572474443 /nfs/dbraw/zinc/47/44/43/572474443.db2.gz SFZKXXHCPXOUCY-UHFFFAOYSA-N 0 0 288.313 3.054 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC/C=C\c1ccccc1 ZINC000733042197 572502169 /nfs/dbraw/zinc/50/21/69/572502169.db2.gz GDAQVNNWWRKSLX-YFHOEESVSA-N 0 0 296.370 3.247 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccc2c(c1)CCCO2 ZINC000726080414 572560148 /nfs/dbraw/zinc/56/01/48/572560148.db2.gz BJKSXBXFXCALGH-UHFFFAOYSA-N 0 0 298.342 3.039 20 10 CGCDRN 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CCOc1ccc(N(CC)Cc2nnc(C3CC3)o2)cc1 ZINC000744391879 572749232 /nfs/dbraw/zinc/74/92/32/572749232.db2.gz NPBVLWAQFSYCGB-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN CC(C)(CC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000736317213 572781537 /nfs/dbraw/zinc/78/15/37/572781537.db2.gz KYSVFAWKTIUQBC-UHFFFAOYSA-N 0 0 290.407 3.020 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000745789053 572837482 /nfs/dbraw/zinc/83/74/82/572837482.db2.gz AFVFZXCEFDHIRP-UMVBOHGHSA-N 0 0 288.391 3.160 20 10 CGCDRN CCC[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1O ZINC000737019361 572839916 /nfs/dbraw/zinc/83/99/16/572839916.db2.gz HRMSITLUAFPASP-UHFFFAOYSA-N 0 0 289.331 3.096 20 10 CGCDRN Nc1ccc(CC(=O)N(C2CC2)C2CCCCC2)cc1 ZINC000746403855 572870476 /nfs/dbraw/zinc/87/04/76/572870476.db2.gz NTJYKMOERGCCBO-UHFFFAOYSA-N 0 0 272.392 3.135 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H](c2cccs2)C2CC2)cc1 ZINC000746411306 572871213 /nfs/dbraw/zinc/87/12/13/572871213.db2.gz YRUCNMOLOIBYQD-INIZCTEOSA-N 0 0 286.400 3.140 20 10 CGCDRN CCCCSCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746802932 572897091 /nfs/dbraw/zinc/89/70/91/572897091.db2.gz FLRQCRGGSGKSPU-UHFFFAOYSA-N 0 0 298.427 3.041 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ccccc2O)cc1C ZINC000748160129 572964507 /nfs/dbraw/zinc/96/45/07/572964507.db2.gz ZLFYHPYSYKHEOP-UHFFFAOYSA-N 0 0 286.400 3.496 20 10 CGCDRN CCc1cccc(NC(=S)NCc2ccccc2O)c1 ZINC000748159116 572964646 /nfs/dbraw/zinc/96/46/46/572964646.db2.gz SLUJMSAUGOJQEM-UHFFFAOYSA-N 0 0 286.400 3.441 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1cccc2cccnc21 ZINC000748324351 572973976 /nfs/dbraw/zinc/97/39/76/572973976.db2.gz BLQYZEHCXMFMEE-UHFFFAOYSA-N 0 0 293.326 3.262 20 10 CGCDRN CCCc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000748345928 572974550 /nfs/dbraw/zinc/97/45/50/572974550.db2.gz HEABDFIOPXNMHN-UHFFFAOYSA-N 0 0 269.344 3.275 20 10 CGCDRN C[C@@H](Cc1cccc(F)c1)C(=O)NCc1ccccc1O ZINC000748346534 572974613 /nfs/dbraw/zinc/97/46/13/572974613.db2.gz KOAZATCJFQOSLY-LBPRGKRZSA-N 0 0 287.334 3.026 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2O)cc1 ZINC000748459663 572978021 /nfs/dbraw/zinc/97/80/21/572978021.db2.gz HZCUZADQOQQMHY-CYBMUJFWSA-N 0 0 284.359 3.261 20 10 CGCDRN COC(=O)/C(C)=C\CN(c1ccc(OC)c(F)c1)C(C)C ZINC000748812686 572985131 /nfs/dbraw/zinc/98/51/31/572985131.db2.gz MMAPVPHRPQJJMN-WQLSENKSSA-N 0 0 295.354 3.168 20 10 CGCDRN C/C(=C/C(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000749268455 572991415 /nfs/dbraw/zinc/99/14/15/572991415.db2.gz YWTWKQOEUFKJEG-BENRWUELSA-N 0 0 285.318 3.251 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CC=CCC1 ZINC000890757516 617814235 /nfs/dbraw/zinc/81/42/35/617814235.db2.gz GUGITXVEFWFJBI-JTQLQIEISA-N 0 0 265.740 3.018 20 10 CGCDRN CCC/C(C)=C\C(=O)NCc1cccc(Cl)c1O ZINC000890757472 617814267 /nfs/dbraw/zinc/81/42/67/617814267.db2.gz FBEUAEKMSROHIF-NTMALXAHSA-N 0 0 267.756 3.408 20 10 CGCDRN CCC1=C(C(=O)NCc2cccc(Cl)c2O)CCCO1 ZINC000890759125 617815398 /nfs/dbraw/zinc/81/53/98/617815398.db2.gz DCKLACGYXCZDNF-UHFFFAOYSA-N 0 0 295.766 3.136 20 10 CGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)C(C)(F)F ZINC000890761046 617817567 /nfs/dbraw/zinc/81/75/67/617817567.db2.gz JHJJEESOHGZRGG-UHFFFAOYSA-N 0 0 291.725 3.343 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(Cl)c1 ZINC000049807838 617943791 /nfs/dbraw/zinc/94/37/91/617943791.db2.gz HQSAGGSYGVYRMT-FNORWQNLSA-N 0 0 289.718 3.403 20 10 CGCDRN CCc1sc(C(=O)Nc2ccc(N)cc2)cc1C ZINC000237105156 618099507 /nfs/dbraw/zinc/09/95/07/618099507.db2.gz COINHQQHZRIVLP-UHFFFAOYSA-N 0 0 260.362 3.453 20 10 CGCDRN CC(=O)c1c(F)cncc1NCc1ccc(N(C)C)cc1 ZINC000891577622 618239643 /nfs/dbraw/zinc/23/96/43/618239643.db2.gz DGNLEOBKLPMUOD-UHFFFAOYSA-N 0 0 287.338 3.101 20 10 CGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cncs1 ZINC000255668061 618774126 /nfs/dbraw/zinc/77/41/26/618774126.db2.gz MVMRQNNSZCHJQL-WDZFZDKYSA-N 0 0 293.417 3.036 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C\c1ccccc1 ZINC000255713971 618779784 /nfs/dbraw/zinc/77/97/84/618779784.db2.gz OPOKSDXSWIGHGD-QXMHVHEDSA-N 0 0 267.328 3.064 20 10 CGCDRN C[C@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)CC1 ZINC000235695597 618819046 /nfs/dbraw/zinc/81/90/46/618819046.db2.gz LRQWMPJHOFSCCK-AAEUAGOBSA-N 0 0 261.369 3.359 20 10 CGCDRN CCc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)o1 ZINC000177636396 618834098 /nfs/dbraw/zinc/83/40/98/618834098.db2.gz WFRPXMMVMHYYRL-RAXLEYEMSA-N 0 0 290.388 3.298 20 10 CGCDRN CSc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000177665192 618834861 /nfs/dbraw/zinc/83/48/61/618834861.db2.gz BLGWHBVUARCYSV-UHFFFAOYSA-N 0 0 289.356 3.380 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(F)cc1 ZINC000255884448 618846957 /nfs/dbraw/zinc/84/69/57/618846957.db2.gz MCFKRFQWUMIDDH-BAQGIRSFSA-N 0 0 288.297 3.426 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc(F)ccc1O ZINC000185227640 619058933 /nfs/dbraw/zinc/05/89/33/619058933.db2.gz UPEFAQJLUNVNIR-KBPBESRZSA-N 0 0 294.414 3.302 20 10 CGCDRN C[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776232753 619117904 /nfs/dbraw/zinc/11/79/04/619117904.db2.gz VHJRTYWMDJOYRQ-NSHDSACASA-N 0 0 283.799 3.340 20 10 CGCDRN CN(C)c1ccc(CNc2ccccc2N(C)C)cc1 ZINC000057716071 619244519 /nfs/dbraw/zinc/24/45/19/619244519.db2.gz FNKOTQUSJBKTRL-UHFFFAOYSA-N 0 0 269.392 3.431 20 10 CGCDRN O=[N+]([O-])c1cnc2ccccc2c1NCc1ccccc1O ZINC000318828095 619276964 /nfs/dbraw/zinc/27/69/64/619276964.db2.gz WNAAOMNERTYSEA-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN C[C@H](C[N@H+](C)Cc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000894450022 619538169 /nfs/dbraw/zinc/53/81/69/619538169.db2.gz WTUVKCLBKNBEQJ-SECBINFHSA-N 0 0 298.358 3.362 20 10 CGCDRN CC1(CCNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000894514172 619559118 /nfs/dbraw/zinc/55/91/18/619559118.db2.gz WKPCNWNLKXZGCS-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN C[C@@]12CC[N@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]1C2(F)F ZINC000894829312 619646109 /nfs/dbraw/zinc/64/61/09/619646109.db2.gz QJCCTJWQXOZMSI-WCQYABFASA-N 0 0 289.272 3.148 20 10 CGCDRN Cc1cc(N2Cc3cccc(O)c3C2)nc(C2CCC2)n1 ZINC000894990906 619691541 /nfs/dbraw/zinc/69/15/41/619691541.db2.gz JPTALWAANLDALG-UHFFFAOYSA-N 0 0 281.359 3.278 20 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20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(Cl)cc1[O-] ZINC000841748657 620369311 /nfs/dbraw/zinc/36/93/11/620369311.db2.gz XYIAAYIIDSGEBO-WDEREUQCSA-N 0 0 291.782 3.117 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(-c3nnco3)c2)c1 ZINC000237364532 620371192 /nfs/dbraw/zinc/37/11/92/620371192.db2.gz MEVKLJVFVVRTOW-UHFFFAOYSA-N 0 0 297.314 3.063 20 10 CGCDRN Cc1cccc2c1CC[C@H]2NC(=O)NCc1ccccc1O ZINC000729606858 620402537 /nfs/dbraw/zinc/40/25/37/620402537.db2.gz SJXXTGRQPWTITP-MRXNPFEDSA-N 0 0 296.370 3.187 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000898260525 620500540 /nfs/dbraw/zinc/50/05/40/620500540.db2.gz GNJNXLDYJSAQRT-ZWKOPEQDSA-N 0 0 294.782 3.033 20 10 CGCDRN CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000927026267 620563956 /nfs/dbraw/zinc/56/39/56/620563956.db2.gz ZZYLFLQIIOVEPD-CMPLNLGQSA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C/C=C\Cl)c1 ZINC000898433059 620587096 /nfs/dbraw/zinc/58/70/96/620587096.db2.gz KVDJPDNVSAIHAC-IHWYPQMZSA-N 0 0 290.588 3.305 20 10 CGCDRN CCc1onc(C)c1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000927140674 620600695 /nfs/dbraw/zinc/60/06/95/620600695.db2.gz SVKFMEFHOFEAQG-QMMMGPOBSA-N 0 0 296.317 3.380 20 10 CGCDRN O=C(NCC1CC=CC1)c1cc2cc(O)c(O)cc2s1 ZINC000899130346 620621569 /nfs/dbraw/zinc/62/15/69/620621569.db2.gz WIGDGAIQZCUHCF-UHFFFAOYSA-N 0 0 289.356 3.009 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(F)=C(/C)C2CC2)c1 ZINC000901127840 620835054 /nfs/dbraw/zinc/83/50/54/620835054.db2.gz NFUHYARUGLGQRO-CNOAHFENSA-N 0 0 293.338 3.232 20 10 CGCDRN O=C(c1cccc(O)c1O)N(CC1CC1)c1ccccc1 ZINC000185816572 625450437 /nfs/dbraw/zinc/45/04/37/625450437.db2.gz YIOGHCBMZMSLMY-UHFFFAOYSA-N 0 0 283.327 3.155 20 10 CGCDRN Cc1cnc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000902210774 621185136 /nfs/dbraw/zinc/18/51/36/621185136.db2.gz ZQEOWQMYDVNDCG-UHFFFAOYSA-N 0 0 282.391 3.387 20 10 CGCDRN C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1c([O-])cccc1F ZINC000903298844 621666201 /nfs/dbraw/zinc/66/62/01/621666201.db2.gz YEXYAYKELQHVQO-SMDDNHRTSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(F)cc1[O-] ZINC000903313968 621685128 /nfs/dbraw/zinc/68/51/28/621685128.db2.gz DSGJZEOFLSGZHC-UKRRQHHQSA-N 0 0 299.411 3.094 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1c([O-])cccc1F ZINC000903386993 621726889 /nfs/dbraw/zinc/72/68/89/621726889.db2.gz FEUFYLJYTKKLST-FZMZJTMJSA-N 0 0 279.355 3.284 20 10 CGCDRN Cc1ncccc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000903416689 621735728 /nfs/dbraw/zinc/73/57/28/621735728.db2.gz VQWJQZSZJNOPTO-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN Cc1nc(C)c(/C=C2\c3cccc4c3N(CCC4)C2=O)o1 ZINC000905083517 622032969 /nfs/dbraw/zinc/03/29/69/622032969.db2.gz FADSVGNYEWXOHQ-NTEUORMPSA-N 0 0 280.327 3.125 20 10 CGCDRN CC[C@H](C)CCCCC(=O)NCc1ccc(O)cc1O ZINC000910950212 622510402 /nfs/dbraw/zinc/51/04/02/622510402.db2.gz RXDIPMNHIXXEJI-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN COc1cccc(C[C@H](C)CC(=O)Nc2ccc(N)cc2)c1 ZINC000911660191 622541268 /nfs/dbraw/zinc/54/12/68/622541268.db2.gz HVXNTBWXRNJMDR-ZDUSSCGKSA-N 0 0 298.386 3.485 20 10 CGCDRN C/C(=C(\F)C(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000911896561 622563046 /nfs/dbraw/zinc/56/30/46/622563046.db2.gz CJZQJBLMYHQISD-MDWZMJQESA-N 0 0 283.730 3.315 20 10 CGCDRN COc1ccc(O)c(CNC(=O)/C=C/C2CCCCC2)c1 ZINC000155986176 622587774 /nfs/dbraw/zinc/58/77/74/622587774.db2.gz BXYGRBYCDKMQJT-JXMROGBWSA-N 0 0 289.375 3.154 20 10 CGCDRN CCOc1ccc(N(C)Cc2cn3ccccc3n2)cc1 ZINC000150727878 622656903 /nfs/dbraw/zinc/65/69/03/622656903.db2.gz XBPQELMPYLEYRC-UHFFFAOYSA-N 0 0 281.359 3.369 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000150877866 622690563 /nfs/dbraw/zinc/69/05/63/622690563.db2.gz VWDHRXBMHBGOEL-ZBFHGGJFSA-N 0 0 289.423 3.131 20 10 CGCDRN CC[C@H](C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057660828 622880735 /nfs/dbraw/zinc/88/07/35/622880735.db2.gz HLZJBKPSGHIOIO-ZDUSSCGKSA-N 0 0 289.423 3.009 20 10 CGCDRN Cc1ccc(C(=O)OCC2CCCCC2)c(O)c1O ZINC000060343418 623035389 /nfs/dbraw/zinc/03/53/89/623035389.db2.gz MSTLEZSUZMJDFQ-UHFFFAOYSA-N 0 0 264.321 3.143 20 10 CGCDRN CCCC[C@H](CCC)NC(=O)c1cccc(O)c1O ZINC000229413152 623130475 /nfs/dbraw/zinc/13/04/75/623130475.db2.gz WJMWTCMHXVJPAC-NSHDSACASA-N 0 0 265.353 3.187 20 10 CGCDRN CC[C@H](Nc1cccc(CCO)c1)c1ccccc1O ZINC000313136603 623631928 /nfs/dbraw/zinc/63/19/28/623631928.db2.gz AIEHESKTAMVCDK-INIZCTEOSA-N 0 0 271.360 3.490 20 10 CGCDRN O=C(Nc1ncsc1C1CC1)C1=CC(=O)CS1 ZINC000914119209 623658288 /nfs/dbraw/zinc/65/82/88/623658288.db2.gz OWJGRGAJRPVVTG-UHFFFAOYSA-N 0 0 266.347 3.040 20 10 CGCDRN CCC[N@H+](Cc1ccnc(N(C)C)c1)Cc1ccccc1O ZINC000754052761 623786574 /nfs/dbraw/zinc/78/65/74/623786574.db2.gz ZCATXCWUZQLXIQ-UHFFFAOYSA-N 0 0 299.418 3.265 20 10 CGCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1Cl ZINC000914515001 623818443 /nfs/dbraw/zinc/81/84/43/623818443.db2.gz FKYDNCBOOZMFQD-HJWRWDBZSA-N 0 0 289.766 3.140 20 10 CGCDRN CCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914613274 623837329 /nfs/dbraw/zinc/83/73/29/623837329.db2.gz NMAJXCYXOFCYIB-UHFFFAOYSA-N 0 0 258.321 3.056 20 10 CGCDRN Cc1cc(C(=O)OC/C=C\Cl)c(C)n1-c1ccccn1 ZINC000914903306 623876038 /nfs/dbraw/zinc/87/60/38/623876038.db2.gz JFNHVNBOFSDPLO-ALCCZGGFSA-N 0 0 290.750 3.398 20 10 CGCDRN O=C(CC1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000915083984 623893113 /nfs/dbraw/zinc/89/31/13/623893113.db2.gz SYCYXIYEDULIBV-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000033220941 624247496 /nfs/dbraw/zinc/24/74/96/624247496.db2.gz SLHQKLAQWBOHAL-UHFFFAOYSA-N 0 0 293.370 3.164 20 10 CGCDRN O=C1N[C@H](c2cccc(Cl)c2O)Nc2cc(F)ccc21 ZINC000917500625 624274554 /nfs/dbraw/zinc/27/45/54/624274554.db2.gz BPPKGJGUGPKKCQ-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN Clc1cnc(SCc2noc3c2COCC3)s1 ZINC000918087114 624332419 /nfs/dbraw/zinc/33/24/19/624332419.db2.gz KMAMSIPJKFFPEE-UHFFFAOYSA-N 0 0 288.781 3.150 20 10 CGCDRN CCC1(CNC(=O)Nc2ccc(N)cc2)CCCC1 ZINC000232895968 624347733 /nfs/dbraw/zinc/34/77/33/624347733.db2.gz HVBUPBOZDNWTAP-UHFFFAOYSA-N 0 0 261.369 3.361 20 10 CGCDRN COc1ccc2c(c1)N(Cc1cc(C)ccc1O)CCO2 ZINC000154875702 624386889 /nfs/dbraw/zinc/38/68/89/624386889.db2.gz OBFKCDSAEJAGIY-UHFFFAOYSA-N 0 0 285.343 3.108 20 10 CGCDRN C[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000175505212 624641308 /nfs/dbraw/zinc/64/13/08/624641308.db2.gz ZFXJHQTUVBZJLV-QWHCGFSZSA-N 0 0 261.365 3.177 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C)cc1 ZINC000175641444 624653501 /nfs/dbraw/zinc/65/35/01/624653501.db2.gz NPHAMTIIZXUHNA-AWEZNQCLSA-N 0 0 289.423 3.227 20 10 CGCDRN COc1ccc(O)c(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000180773266 624771557 /nfs/dbraw/zinc/77/15/57/624771557.db2.gz OYLGTZPOURSLNJ-UHFFFAOYSA-N 0 0 291.322 3.185 20 10 CGCDRN Cc1ccnc(CNC(=S)Nc2cc(C)cc(C)c2)c1 ZINC000242507996 624934184 /nfs/dbraw/zinc/93/41/84/624934184.db2.gz BVXLEFBRAFKHOH-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncccc2C)c(C)c1 ZINC000242798008 624950723 /nfs/dbraw/zinc/95/07/23/624950723.db2.gz FCHUNOPCYCOSJE-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN O=C(CCCC1CCCC1)NCc1ccc(O)c(O)c1 ZINC000182547950 625010359 /nfs/dbraw/zinc/01/03/59/625010359.db2.gz HUAGCDNKWGMWQQ-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN Cc1cncc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186191669 625748005 /nfs/dbraw/zinc/74/80/05/625748005.db2.gz PBRJZCGTGMSOGD-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN C[C@@H](Nc1cnn(CC2CC2)c1)c1cc(F)ccc1O ZINC000186358764 625794520 /nfs/dbraw/zinc/79/45/20/625794520.db2.gz HGZYMASLEQWYKZ-SNVBAGLBSA-N 0 0 275.327 3.311 20 10 CGCDRN CCCCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756342736 625879119 /nfs/dbraw/zinc/87/91/19/625879119.db2.gz LMTWNUMWVLEGJK-NSHDSACASA-N 0 0 265.353 3.020 20 10 CGCDRN COc1ccc(F)c(NCc2cccc(C)c2O)c1 ZINC000124626773 634470887 /nfs/dbraw/zinc/47/08/87/634470887.db2.gz YHPVWSPOEIZSEB-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000186545667 626016701 /nfs/dbraw/zinc/01/67/01/626016701.db2.gz OPWTWRZCLPYGJE-UONOGXRCSA-N 0 0 294.414 3.446 20 10 CGCDRN Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(C)c1O ZINC000187058229 626117893 /nfs/dbraw/zinc/11/78/93/626117893.db2.gz BYEKCHOFCVSDTR-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCN1CCCCCC1 ZINC000124686698 634485677 /nfs/dbraw/zinc/48/56/77/634485677.db2.gz UUHPKEKVQVRJQE-UHFFFAOYSA-N 0 0 282.815 3.011 20 10 CGCDRN C[C@H](NC(=O)N1CC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000838559998 626236918 /nfs/dbraw/zinc/23/69/18/626236918.db2.gz SAZVPCNZYLASMV-LRDDRELGSA-N 0 0 287.407 3.008 20 10 CGCDRN Oc1c(Cl)cccc1CNc1ccc2c(c1)OCO2 ZINC000124720064 634488826 /nfs/dbraw/zinc/48/88/26/634488826.db2.gz BVOAYEDAPYPQFA-UHFFFAOYSA-N 0 0 277.707 3.386 20 10 CGCDRN CCOc1cccc(CN2Cc3cccc(F)c3C2)c1O ZINC000839182699 626326609 /nfs/dbraw/zinc/32/66/09/626326609.db2.gz KWMVQKWWAZHHQZ-UHFFFAOYSA-N 0 0 287.334 3.446 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c(O)c1O ZINC000751538251 626395194 /nfs/dbraw/zinc/39/51/94/626395194.db2.gz NNHMEKJAZKXNMT-ABAIWWIYSA-N 0 0 297.354 3.070 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cn2cc(C)ccc2n1 ZINC000752284000 626424452 /nfs/dbraw/zinc/42/44/52/626424452.db2.gz HPWUSPNEDZUOOS-UHFFFAOYSA-N 0 0 293.370 3.214 20 10 CGCDRN Fc1cccnc1CNC(=S)Nc1cccc(Cl)c1 ZINC000752766315 626438360 /nfs/dbraw/zinc/43/83/60/626438360.db2.gz KWOYOUNWJCVXLL-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN CCCCCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756343478 626694215 /nfs/dbraw/zinc/69/42/15/626694215.db2.gz ORBSTBUYWXNKII-LBPRGKRZSA-N 0 0 279.380 3.410 20 10 CGCDRN CC(C)OCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756353307 626694969 /nfs/dbraw/zinc/69/49/69/626694969.db2.gz YRQMZELBOFUWPX-SNVBAGLBSA-N 0 0 273.323 3.136 20 10 CGCDRN CCC[C@@H](C)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000756387256 626699884 /nfs/dbraw/zinc/69/98/84/626699884.db2.gz KKXGUBWZTPGHSG-CZUORRHYSA-N 0 0 292.423 3.122 20 10 CGCDRN CC[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000756399736 626701563 /nfs/dbraw/zinc/70/15/63/626701563.db2.gz GDVIDSGJOGELBR-AAEUAGOBSA-N 0 0 298.377 3.195 20 10 CGCDRN CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756575923 626716982 /nfs/dbraw/zinc/71/69/82/626716982.db2.gz RIHRYLSJSMRCFS-HIFRSBDPSA-N 0 0 294.414 3.446 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000756625692 626721380 /nfs/dbraw/zinc/72/13/80/626721380.db2.gz KPHUKIAZFRUUEN-ZANVPECISA-N 0 0 287.350 3.382 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc(F)cc(F)c1[O-] ZINC000756733571 626728875 /nfs/dbraw/zinc/72/88/75/626728875.db2.gz QEHIIQNSQNUSJO-KOLCDFICSA-N 0 0 253.292 3.430 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000756769562 626730501 /nfs/dbraw/zinc/73/05/01/626730501.db2.gz MQPJDYRLRVWMHS-IIMNLJJBSA-N 0 0 285.334 3.279 20 10 CGCDRN CC(C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000757222530 626761429 /nfs/dbraw/zinc/76/14/29/626761429.db2.gz PIBRCRLQWPDEAH-UHFFFAOYSA-N 0 0 299.418 3.051 20 10 CGCDRN O=C1NC(=S)S/C1=C/C=C/c1ccc(F)cc1F ZINC000758015727 626821479 /nfs/dbraw/zinc/82/14/79/626821479.db2.gz AOAIOXGMLXDEMX-XZMAOYBGSA-N 0 0 283.324 3.010 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC23CCC3)cc1 ZINC000759719962 626917877 /nfs/dbraw/zinc/91/78/77/626917877.db2.gz QYNCJQLVGUQYBY-INIZCTEOSA-N 0 0 286.419 3.339 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2nnc(C3CC3)o2)cc1 ZINC000759914234 626930237 /nfs/dbraw/zinc/93/02/37/626930237.db2.gz JNSQMANOEAYTAV-UHFFFAOYSA-N 0 0 287.363 3.371 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1cccc(Cl)c1[O-] ZINC000806142487 627005781 /nfs/dbraw/zinc/00/57/81/627005781.db2.gz OYMBKPRHMJBPMK-KBPBESRZSA-N 0 0 285.815 3.493 20 10 CGCDRN COc1cc(Cl)cc(CNc2ccc(C)cn2)c1O ZINC000761198803 627023887 /nfs/dbraw/zinc/02/38/87/627023887.db2.gz URQUEPMNBWNTNV-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1ccsc1 ZINC000761746664 627059033 /nfs/dbraw/zinc/05/90/33/627059033.db2.gz XULNGWQQFBFUMS-VOTSOKGWSA-N 0 0 273.357 3.126 20 10 CGCDRN Cc1cccc(C)c1NC(=S)NCc1ccc(F)cn1 ZINC000763167118 627142896 /nfs/dbraw/zinc/14/28/96/627142896.db2.gz PAMUSAQIGGFUNX-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CCSc1cccc(C(=O)NCc2ccccc2O)c1 ZINC000764068047 627192707 /nfs/dbraw/zinc/19/27/07/627192707.db2.gz KVMFCVPUPPMJOJ-UHFFFAOYSA-N 0 0 287.384 3.434 20 10 CGCDRN CCN(CC)c1ccc(C=Cc2nccc(=O)[nH]2)cc1F ZINC000764442325 627207791 /nfs/dbraw/zinc/20/77/91/627207791.db2.gz OIAVWSOXHAUFGP-VURMDHGXSA-N 0 0 287.338 3.338 20 10 CGCDRN Cc1ccc(O)c(CN2CCc3c2cccc3F)c1 ZINC000764677430 627217681 /nfs/dbraw/zinc/21/76/81/627217681.db2.gz JWBJKYJVUGYLGA-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000765617953 627263199 /nfs/dbraw/zinc/26/31/99/627263199.db2.gz DGUVMFZKENRQOS-VIFPVBQESA-N 0 0 278.333 3.213 20 10 CGCDRN COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1 ZINC000765653578 627265253 /nfs/dbraw/zinc/26/52/53/627265253.db2.gz AFXDBXOLBFQVON-UHFFFAOYSA-N 0 0 298.386 3.160 20 10 CGCDRN CCOc1cccc(CN2CCOc3cc(C)ccc32)c1O ZINC000765657340 627265867 /nfs/dbraw/zinc/26/58/67/627265867.db2.gz YYBQQHXSFPFOBX-UHFFFAOYSA-N 0 0 299.370 3.498 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000765813788 627272781 /nfs/dbraw/zinc/27/27/81/627272781.db2.gz FHUYOIDNAPFGBH-FMSQNYNMSA-N 0 0 297.345 3.279 20 10 CGCDRN Cc1[nH]nc2ncc(NCc3ccc(N(C)C)c(F)c3)cc12 ZINC000765944738 627279774 /nfs/dbraw/zinc/27/97/74/627279774.db2.gz NEQBNRGXLPHIDO-UHFFFAOYSA-N 0 0 299.353 3.084 20 10 CGCDRN COCC1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000766118288 627296672 /nfs/dbraw/zinc/29/66/72/627296672.db2.gz BEGMDVKWSSGAJC-UHFFFAOYSA-N 0 0 298.386 3.003 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CC1CCOCC1 ZINC000766270114 627309236 /nfs/dbraw/zinc/30/92/36/627309236.db2.gz QBJMCRCEZJCACF-UHFFFAOYSA-N 0 0 275.392 3.265 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCOC(C)C ZINC000766270014 627309286 /nfs/dbraw/zinc/30/92/86/627309286.db2.gz NTNVLZKWWHNBCK-UHFFFAOYSA-N 0 0 263.381 3.263 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1nccc(C)n1 ZINC000766270209 627309358 /nfs/dbraw/zinc/30/93/58/627309358.db2.gz ROLQSMGRPBZQEZ-UHFFFAOYSA-N 0 0 283.375 3.137 20 10 CGCDRN CC/C=C/CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000767298386 627396651 /nfs/dbraw/zinc/39/66/51/627396651.db2.gz MIFYQFSUEMSHRH-SNAWJCMRSA-N 0 0 274.408 3.174 20 10 CGCDRN O=C(N[C@@H]1CCOC2(CCCCC2)C1)C1=CC(=O)CS1 ZINC000768378702 627477634 /nfs/dbraw/zinc/47/76/34/627477634.db2.gz XZUIQKBMNQTDBH-LLVKDONJSA-N 0 0 295.404 3.065 20 10 CGCDRN Cc1ccc(C(=O)N2CC(C)(C)CC(C)(C)C2)c(O)c1O ZINC000768645329 627490910 /nfs/dbraw/zinc/49/09/10/627490910.db2.gz MZIOWRDBWHNSEI-UHFFFAOYSA-N 0 0 291.391 3.305 20 10 CGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1F ZINC000769422497 627551203 /nfs/dbraw/zinc/55/12/03/627551203.db2.gz JRAXDFIIJDPNAS-KGLIPLIRSA-N 0 0 294.414 3.281 20 10 CGCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769470017 627556989 /nfs/dbraw/zinc/55/69/89/627556989.db2.gz JEESKHLFGZHVEB-DTWKUNHWSA-N 0 0 284.743 3.184 20 10 CGCDRN CCOc1ccc(CNc2cnn(C)c2C2CC2)c(O)c1 ZINC000769922456 627589931 /nfs/dbraw/zinc/58/99/31/627589931.db2.gz DPSJFOQCGAFXBM-UHFFFAOYSA-N 0 0 287.363 3.014 20 10 CGCDRN CC(C)(C)OC(=O)CSc1ncc(Cl)s1 ZINC000770219701 627609034 /nfs/dbraw/zinc/60/90/34/627609034.db2.gz HPOHCKCTNYMDII-UHFFFAOYSA-N 0 0 265.787 3.230 20 10 CGCDRN C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000770506225 627623378 /nfs/dbraw/zinc/62/33/78/627623378.db2.gz ZNHMRJKMHOALJP-FZKQIMNGSA-N 0 0 283.371 3.216 20 10 CGCDRN CN(Cc1ncc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000770663816 627635565 /nfs/dbraw/zinc/63/55/65/627635565.db2.gz CVNICBDGHWQNDB-UHFFFAOYSA-N 0 0 282.752 3.162 20 10 CGCDRN CCC[N@H+](CC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000771935671 627746619 /nfs/dbraw/zinc/74/66/19/627746619.db2.gz SAMRPACXPWIFSM-UHFFFAOYSA-N 0 0 272.732 3.186 20 10 CGCDRN C[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc(N(C)C)cc1 ZINC000773009630 627841186 /nfs/dbraw/zinc/84/11/86/627841186.db2.gz LFIVHRPNJFBINM-NSHDSACASA-N 0 0 299.374 3.109 20 10 CGCDRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773085896 627853703 /nfs/dbraw/zinc/85/37/03/627853703.db2.gz AHUOMLCBGFFHAX-NSHDSACASA-N 0 0 264.369 3.338 20 10 CGCDRN CCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773129699 627860494 /nfs/dbraw/zinc/86/04/94/627860494.db2.gz NWULYOJTQONSDW-STQMWFEESA-N 0 0 277.412 3.301 20 10 CGCDRN CCC(CC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773128476 627860565 /nfs/dbraw/zinc/86/05/65/627860565.db2.gz BRXAYPOEMAMJPQ-LBPRGKRZSA-N 0 0 277.412 3.301 20 10 CGCDRN COc1cccc(CNC(=O)[C@H](C)CC(C)(C)C)c1O ZINC000773406833 627881099 /nfs/dbraw/zinc/88/10/99/627881099.db2.gz IQDPZRUUCIQGEN-LLVKDONJSA-N 0 0 279.380 3.089 20 10 CGCDRN CCN(C)c1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000773816860 627916716 /nfs/dbraw/zinc/91/67/16/627916716.db2.gz GZIOFZWEMUOWIA-LJQANCHMSA-N 0 0 298.430 3.356 20 10 CGCDRN C[C@H](Nc1ncnc2ccncc21)c1ccc(N(C)C)cc1 ZINC000773903007 627927069 /nfs/dbraw/zinc/92/70/69/627927069.db2.gz SJQCFWVZYSAKFN-LBPRGKRZSA-N 0 0 293.374 3.264 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2COCC2(C)C)cc1 ZINC000774242708 627968114 /nfs/dbraw/zinc/96/81/14/627968114.db2.gz BONMYEHCVBRGCM-UHFFFAOYSA-N 0 0 298.386 3.303 20 10 CGCDRN C[C@H](NC(=O)CCCn1cccc1)c1ccc(N(C)C)cc1 ZINC000775405255 628091829 /nfs/dbraw/zinc/09/18/29/628091829.db2.gz SAVWHDQJZRFNQI-HNNXBMFYSA-N 0 0 299.418 3.212 20 10 CGCDRN CCc1cnccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775410502 628092776 /nfs/dbraw/zinc/09/27/76/628092776.db2.gz LMAFGIYLQGXHPF-ZDUSSCGKSA-N 0 0 297.402 3.201 20 10 CGCDRN C[C@H](NC(=O)Nc1nccs1)c1ccc(N(C)C)cc1 ZINC000775420326 628093520 /nfs/dbraw/zinc/09/35/20/628093520.db2.gz LRNAHZZUVIAGOY-JTQLQIEISA-N 0 0 290.392 3.092 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)nc2C)cc1OC ZINC000775583900 628111060 /nfs/dbraw/zinc/11/10/60/628111060.db2.gz ZPVSQHYNMWZWQZ-UHFFFAOYSA-N 0 0 286.375 3.352 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCOC1 ZINC000775681306 628125025 /nfs/dbraw/zinc/12/50/25/628125025.db2.gz OQPSJPXHMAGXDH-SNVBAGLBSA-N 0 0 287.762 3.043 20 10 CGCDRN CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775763501 628134093 /nfs/dbraw/zinc/13/40/93/628134093.db2.gz HMGCHCQGBRTTQY-NSHDSACASA-N 0 0 284.743 3.184 20 10 CGCDRN CC(C)[C@H]1CCN1C(=O)NCCCSc1nccs1 ZINC000776054870 628161030 /nfs/dbraw/zinc/16/10/30/628161030.db2.gz ZYKKWJGMZGPYBI-LLVKDONJSA-N 0 0 299.465 3.065 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccncc1 ZINC000776222696 628182090 /nfs/dbraw/zinc/18/20/90/628182090.db2.gz RGMHXFCDIRFEAT-JTQLQIEISA-N 0 0 294.757 3.473 20 10 CGCDRN COC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccco1 ZINC000776230472 628182973 /nfs/dbraw/zinc/18/29/73/628182973.db2.gz JFXCNKODGFJQFG-LBPRGKRZSA-N 0 0 299.729 3.255 20 10 CGCDRN C[C@H](NC(=O)NC1(C)CCC1)c1ccc(N(C)C)cc1 ZINC000776247381 628183693 /nfs/dbraw/zinc/18/36/93/628183693.db2.gz UTYDCUSEUMOHGZ-LBPRGKRZSA-N 0 0 275.396 3.055 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(N(C)C)cc1 ZINC000776271200 628187888 /nfs/dbraw/zinc/18/78/88/628187888.db2.gz ZIDGEWXVSZSOLG-SNVBAGLBSA-N 0 0 290.388 3.011 20 10 CGCDRN C[C@H]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1F ZINC000779151494 628390800 /nfs/dbraw/zinc/39/08/00/628390800.db2.gz YVBSLWLOWFANCJ-CABZTGNLSA-N 0 0 257.736 3.226 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(O)c1)CCC2 ZINC000779665278 628419909 /nfs/dbraw/zinc/41/99/09/628419909.db2.gz VCWDYVUCIBZCBO-FNORWQNLSA-N 0 0 294.354 3.088 20 10 CGCDRN C[C@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)C1 ZINC000779746962 628425825 /nfs/dbraw/zinc/42/58/25/628425825.db2.gz LNYFPACVOIXZLW-FOLVSLTJSA-N 0 0 288.435 3.441 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000779883079 628439833 /nfs/dbraw/zinc/43/98/33/628439833.db2.gz BNCFNRQSKOFYCC-KBPBESRZSA-N 0 0 288.435 3.367 20 10 CGCDRN C[C@H]1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000780538312 628497124 /nfs/dbraw/zinc/49/71/24/628497124.db2.gz NNKRGZXQGKRBLS-WDEREUQCSA-N 0 0 299.465 3.113 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccc2nccn21 ZINC000780767903 628515668 /nfs/dbraw/zinc/51/56/68/628515668.db2.gz ZYJDZHWLYYTNIJ-UHFFFAOYSA-N 0 0 293.370 3.296 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000780780321 628516971 /nfs/dbraw/zinc/51/69/71/628516971.db2.gz PZBGBOOIOOLMSE-VHSXEESVSA-N 0 0 287.762 3.089 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)C2CCCCC2)c(O)c1O ZINC000780956556 628526432 /nfs/dbraw/zinc/52/64/32/628526432.db2.gz YBYAMDCHBIULSH-LLVKDONJSA-N 0 0 277.364 3.105 20 10 CGCDRN COCCN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781960410 628607319 /nfs/dbraw/zinc/60/73/19/628607319.db2.gz IBHBBICLFMVWND-UHFFFAOYSA-N 0 0 271.360 3.348 20 10 CGCDRN C[C@@H]1CC[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000782129520 628617289 /nfs/dbraw/zinc/61/72/89/628617289.db2.gz AKNJJENDUNXKQT-QMTHXVAHSA-N 0 0 265.378 3.106 20 10 CGCDRN C[C@@H](Nc1cccc2c1OCO2)c1ccccc1O ZINC000783532949 628722360 /nfs/dbraw/zinc/72/23/60/628722360.db2.gz KTXIHICJFCGVBD-SNVBAGLBSA-N 0 0 257.289 3.294 20 10 CGCDRN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783738361 628744415 /nfs/dbraw/zinc/74/44/15/628744415.db2.gz SDDNAQLSNRFMGO-SDDRHHMPSA-N 0 0 283.799 3.352 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000783970498 628761641 /nfs/dbraw/zinc/76/16/41/628761641.db2.gz FZEOYWIKIVRGKL-DANTVBBOSA-N 0 0 294.354 3.217 20 10 CGCDRN CCOc1ccc(N(C)CCCSCCOC)cc1 ZINC000785690109 628881059 /nfs/dbraw/zinc/88/10/59/628881059.db2.gz BSEZAOIZOCMTMU-UHFFFAOYSA-N 0 0 283.437 3.291 20 10 CGCDRN Cc1cc(C(=O)O[C@H](C)C(F)F)c(C)n1-c1ccccn1 ZINC000786519898 628942897 /nfs/dbraw/zinc/94/28/97/628942897.db2.gz AHRHCAUQJGXUQJ-LLVKDONJSA-N 0 0 294.301 3.300 20 10 CGCDRN CN(C)c1ccc(OCc2noc3c2CCCC3)cc1 ZINC000786866802 628967434 /nfs/dbraw/zinc/96/74/34/628967434.db2.gz WVMQPEGXXULUIG-UHFFFAOYSA-N 0 0 272.348 3.198 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000875397300 634697338 /nfs/dbraw/zinc/69/73/38/634697338.db2.gz ZDYLWYGSDOBODC-QWRGUYRKSA-N 0 0 298.333 3.330 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC2CCC(F)(F)CC2)c1 ZINC000875433194 634698851 /nfs/dbraw/zinc/69/88/51/634698851.db2.gz LQWGDZGZXRURMC-UHFFFAOYSA-N 0 0 298.333 3.078 20 10 CGCDRN CCOCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788500088 629060251 /nfs/dbraw/zinc/06/02/51/629060251.db2.gz YNPMMALJMXWMAZ-JTQLQIEISA-N 0 0 291.313 3.488 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccn1)c1ccc2[nH]ccc2c1 ZINC000788546089 629064380 /nfs/dbraw/zinc/06/43/80/629064380.db2.gz AMBHLPUSYKKVOV-UTCJRWHESA-N 0 0 292.342 3.024 20 10 CGCDRN CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788593481 629067279 /nfs/dbraw/zinc/06/72/79/629067279.db2.gz PXYATITUTQIQEA-VHSXEESVSA-N 0 0 291.313 3.223 20 10 CGCDRN CCCCC[C@@H](NCc1cc(C)c(C)cc1O)C(=O)OC ZINC000789574657 629145611 /nfs/dbraw/zinc/14/56/11/629145611.db2.gz DKZOBVHRQNGMFL-OAHLLOKOSA-N 0 0 293.407 3.221 20 10 CGCDRN Cc1ccc(CN(C)Cc2c(O)cccc2Cl)nc1 ZINC000789590575 629148792 /nfs/dbraw/zinc/14/87/92/629148792.db2.gz ULFJRTOZAZSVHT-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN CC(C)(C)OCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962549 629243804 /nfs/dbraw/zinc/24/38/04/629243804.db2.gz QLVLMRYFWGHKHI-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN C[C@@H](Cc1ccncc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790972141 629244853 /nfs/dbraw/zinc/24/48/53/629244853.db2.gz FAMZETYVYRWTSN-JTQLQIEISA-N 0 0 294.757 3.301 20 10 CGCDRN CC[C@H](C)n1ncc(NCc2cccc(OC)c2O)c1C ZINC000791004525 629249194 /nfs/dbraw/zinc/24/91/94/629249194.db2.gz LGSSSZLBJOJYCX-NSHDSACASA-N 0 0 289.379 3.489 20 10 CGCDRN CCc1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875700468 634724444 /nfs/dbraw/zinc/72/44/44/634724444.db2.gz JQZOBVHPIGRKMD-UHFFFAOYSA-N 0 0 296.370 3.180 20 10 CGCDRN CCN(Cc1cc(F)c(N(C)C)cc1F)CC(F)(F)F ZINC000862227605 629326537 /nfs/dbraw/zinc/32/65/37/629326537.db2.gz RGCSCGLDSVSEKH-UHFFFAOYSA-N 0 0 296.283 3.415 20 10 CGCDRN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC1CC1 ZINC000792164625 629342687 /nfs/dbraw/zinc/34/26/87/629342687.db2.gz AMGYVIXUHVGCIY-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN CCCC[N@H+](CCOC)Cc1c([O-])ccc(Cl)c1F ZINC000792167159 629343302 /nfs/dbraw/zinc/34/33/02/629343302.db2.gz BYGMDKNSTCYEFR-UHFFFAOYSA-N 0 0 289.778 3.433 20 10 CGCDRN CCC[N@H+](Cc1c([O-])ccc(Cl)c1F)CC(C)(C)O ZINC000792167631 629343527 /nfs/dbraw/zinc/34/35/27/629343527.db2.gz MEQUSADKYKLJSX-UHFFFAOYSA-N 0 0 289.778 3.168 20 10 CGCDRN COC1(C)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792174292 629344671 /nfs/dbraw/zinc/34/46/71/629344671.db2.gz QDWLPTUVDUREBW-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@H](NC(=O)N1[C@H](C)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000792178928 629345365 /nfs/dbraw/zinc/34/53/65/629345365.db2.gz LMTPXLGMLVXREX-UPJWGTAASA-N 0 0 275.396 3.006 20 10 CGCDRN Cc1ccc(O[C@H](C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761822 629431611 /nfs/dbraw/zinc/43/16/11/629431611.db2.gz YSGNOAGUQOFAAL-CQSZACIVSA-N 0 0 299.370 3.093 20 10 CGCDRN C[C@@H](Nc1ccc2ccn(C)c(=O)c2c1)c1ccccc1O ZINC000793564239 629485057 /nfs/dbraw/zinc/48/50/57/629485057.db2.gz LHLRWGFYUMNQAV-GFCCVEGCSA-N 0 0 294.354 3.417 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(F)cc1[O-] ZINC000793575186 629486610 /nfs/dbraw/zinc/48/66/10/629486610.db2.gz UXZIOPCRWDZTGI-LLVKDONJSA-N 0 0 299.349 3.301 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000793689925 629496152 /nfs/dbraw/zinc/49/61/52/629496152.db2.gz QHXIEGZHRSYXTB-IUODEOHRSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(CNC(=O)/C(C)=C/C(C)(C)C)c(O)c1 ZINC000794390160 629538946 /nfs/dbraw/zinc/53/89/46/629538946.db2.gz ZFNMENLRGXRVOG-PKNBQFBNSA-N 0 0 277.364 3.009 20 10 CGCDRN COc1cc(CSc2ncc(Cl)s2)on1 ZINC000863348264 629542342 /nfs/dbraw/zinc/54/23/42/629542342.db2.gz RJEOMEXDIHHNLO-UHFFFAOYSA-N 0 0 262.743 3.085 20 10 CGCDRN COC(=O)[C@@H](Sc1ncc(Cl)s1)C(C)(C)C ZINC000863347974 629542571 /nfs/dbraw/zinc/54/25/71/629542571.db2.gz MGQHEIURIQUCMG-SSDOTTSWSA-N 0 0 279.814 3.476 20 10 CGCDRN COC(=O)CCCCOc1ccc(N2CCCC2)cc1 ZINC000863458788 629577351 /nfs/dbraw/zinc/57/73/51/629577351.db2.gz FTEUYNJFNJXRGN-UHFFFAOYSA-N 0 0 277.364 3.009 20 10 CGCDRN CO[C@@H](CN(C)c1ccc(N)cc1)C1CCCCC1 ZINC000863558771 629607114 /nfs/dbraw/zinc/60/71/14/629607114.db2.gz WWRRRGULYDNUFV-INIZCTEOSA-N 0 0 262.397 3.300 20 10 CGCDRN Nc1ccc(Cc2noc([C@H]3CCCC34CC4)n2)cc1 ZINC000863656691 629635411 /nfs/dbraw/zinc/63/54/11/629635411.db2.gz USWITECCUMFREW-CYBMUJFWSA-N 0 0 269.348 3.290 20 10 CGCDRN C/C=C\C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000863816145 629678088 /nfs/dbraw/zinc/67/80/88/629678088.db2.gz AVDSDXAMANNXJU-QUCGXOGASA-N 0 0 265.378 3.272 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(NC(C)=O)c2)cc1 ZINC000864031827 629731408 /nfs/dbraw/zinc/73/14/08/629731408.db2.gz RMMUJJDDUYSOGI-UHFFFAOYSA-N 0 0 284.359 3.290 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cn2ccccc2n1 ZINC000796321781 629764144 /nfs/dbraw/zinc/76/41/44/629764144.db2.gz HYZMOFCPFOLMKM-UHFFFAOYSA-N 0 0 293.370 3.296 20 10 CGCDRN CCC[C@](C)(CC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000796334556 629767475 /nfs/dbraw/zinc/76/74/75/629767475.db2.gz YZVPBNMXGLGQEY-INIZCTEOSA-N 0 0 294.347 3.040 20 10 CGCDRN CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796758240 629827282 /nfs/dbraw/zinc/82/72/82/629827282.db2.gz BTBAWGRSCYNBOC-WPGHFRTFSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000796778391 629831934 /nfs/dbraw/zinc/83/19/34/629831934.db2.gz KYZCTUPOBDFTOU-LNSITVRQSA-N 0 0 281.371 3.123 20 10 CGCDRN COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2C(=O)[O-])cc1C ZINC000864516576 629850598 /nfs/dbraw/zinc/85/05/98/629850598.db2.gz KZROQUYGELFTJP-LSDHHAIUSA-N 0 0 291.391 3.127 20 10 CGCDRN CCN(CC)c1ccc(CNCc2cn(C3CC3)cn2)cc1 ZINC000865417648 630113195 /nfs/dbraw/zinc/11/31/95/630113195.db2.gz AADOUEMEXKNWER-UHFFFAOYSA-N 0 0 298.434 3.354 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000865652062 630254095 /nfs/dbraw/zinc/25/40/95/630254095.db2.gz NPIOZIHAVKUPQO-SECBINFHSA-N 0 0 289.803 3.418 20 10 CGCDRN C[C@H]1C[C@H](NC2(C(F)F)CC2)c2c1c(F)ccc2O ZINC000800502300 630289244 /nfs/dbraw/zinc/28/92/44/630289244.db2.gz RJWIYJXSDGZWHL-CBAPKCEASA-N 0 0 271.282 3.467 20 10 CGCDRN CN(CCSC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000801935684 630369881 /nfs/dbraw/zinc/36/98/81/630369881.db2.gz CBOSSPOEPGTPGA-UHFFFAOYSA-N 0 0 267.394 3.383 20 10 CGCDRN COc1ccc(O)c(CN2CCc3cc(F)ccc32)c1 ZINC000802657778 630403919 /nfs/dbraw/zinc/40/39/19/630403919.db2.gz RYAIJGNMCAIXCS-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN CCc1nc(C)cc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000804391741 630525458 /nfs/dbraw/zinc/52/54/58/630525458.db2.gz BXSDICMKSGPQLA-UHFFFAOYSA-N 0 0 296.418 3.342 20 10 CGCDRN C[C@@]1(F)CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840101960 630593498 /nfs/dbraw/zinc/59/34/98/630593498.db2.gz XUISDJJLJROSGO-MRXNPFEDSA-N 0 0 274.339 3.264 20 10 CGCDRN CC[C@H](NC(=O)NCc1ccccc1O)[C@H]1CC1(C)C ZINC000841593727 630598440 /nfs/dbraw/zinc/59/84/40/630598440.db2.gz KNYVSOFWNXMHRH-OLZOCXBDSA-N 0 0 276.380 3.016 20 10 CGCDRN CC(=O)C(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000808020574 630618765 /nfs/dbraw/zinc/61/87/65/630618765.db2.gz HYGOFTGTBWGTFS-UHFFFAOYSA-N 0 0 295.747 3.245 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C)c1 ZINC000808095065 630621693 /nfs/dbraw/zinc/62/16/93/630621693.db2.gz QHRUCSGSIJUMSD-UHFFFAOYSA-N 0 0 290.359 3.116 20 10 CGCDRN COC(=O)c1cnc(S[C@@H]2CCCC(C)(C)C2=O)s1 ZINC000840210143 630949575 /nfs/dbraw/zinc/94/95/75/630949575.db2.gz POQOJDWMHLGWCV-MRVPVSSYSA-N 0 0 299.417 3.170 20 10 CGCDRN Oc1cccc(Cl)c1CNc1nnc(C(F)(F)F)o1 ZINC000811836644 631125689 /nfs/dbraw/zinc/12/56/89/631125689.db2.gz HAWQJPWEDAUNOE-UHFFFAOYSA-N 0 0 293.632 3.060 20 10 CGCDRN FC(F)c1nnc(NCCCSc2nccs2)o1 ZINC000814361836 631573859 /nfs/dbraw/zinc/57/38/59/631573859.db2.gz GLVAWNSVOCDHBU-UHFFFAOYSA-N 0 0 292.336 3.058 20 10 CGCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCCCSc1nccs1 ZINC000878834615 635639658 /nfs/dbraw/zinc/63/96/58/635639658.db2.gz SQCWTGGMYUBCFF-RYUDHWBXSA-N 0 0 296.461 3.178 20 10 CGCDRN Cc1ccc2nc(C(=O)NCc3ccccc3O)ccc2c1 ZINC000815833328 631827569 /nfs/dbraw/zinc/82/75/69/631827569.db2.gz IMVFANBTTOWFND-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816480140 631987153 /nfs/dbraw/zinc/98/71/53/631987153.db2.gz DRWLRGLAFQNZSW-VIFPVBQESA-N 0 0 257.736 3.417 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccn1 ZINC000816528771 632004475 /nfs/dbraw/zinc/00/44/75/632004475.db2.gz QZISGWUCUBCMCY-VIFPVBQESA-N 0 0 280.730 3.431 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000816630730 632026806 /nfs/dbraw/zinc/02/68/06/632026806.db2.gz PHLUSNLCBQSIHM-ZDUSSCGKSA-N 0 0 299.773 3.064 20 10 CGCDRN CC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000817415111 632145424 /nfs/dbraw/zinc/14/54/24/632145424.db2.gz OMOMTYZCIMCCGI-RYUDHWBXSA-N 0 0 269.772 3.093 20 10 CGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cnccn1 ZINC000817418183 632146831 /nfs/dbraw/zinc/14/68/31/632146831.db2.gz FJUHNQCVSIKQIN-OAHLLOKOSA-N 0 0 297.402 3.320 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CC2(F)F)cc1 ZINC000817428393 632152916 /nfs/dbraw/zinc/15/29/16/632152916.db2.gz KQLCDKUZPOVOKD-HNNXBMFYSA-N 0 0 296.361 3.194 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCO1 ZINC000817585219 632190787 /nfs/dbraw/zinc/19/07/87/632190787.db2.gz CQNVWIRUMPWKKO-ZMLRMANQSA-N 0 0 285.334 3.279 20 10 CGCDRN CC[C@H]([NH2+]C1CCN(OC)CC1)c1cccc(Cl)c1[O-] ZINC000817588744 632193186 /nfs/dbraw/zinc/19/31/86/632193186.db2.gz QZGRJKDVRUGGTB-AWEZNQCLSA-N 0 0 298.814 3.112 20 10 CGCDRN CN1C(=O)/C(=C/c2cccc(C3CC3)c2)SC1=S ZINC000817708334 632202334 /nfs/dbraw/zinc/20/23/34/632202334.db2.gz WVJURRLIFRESAD-WQLSENKSSA-N 0 0 275.398 3.395 20 10 CGCDRN CO[C@H](C)CC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762326 632223097 /nfs/dbraw/zinc/22/30/97/632223097.db2.gz USGVTGJQRQMDSO-SNVBAGLBSA-N 0 0 275.348 3.126 20 10 CGCDRN C[C@H]([NH2+][C@H](CN)C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817960745 632256266 /nfs/dbraw/zinc/25/62/66/632256266.db2.gz QYQCWMGZYZLLRM-JVXZTZIISA-N 0 0 289.206 3.087 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000817968184 632261961 /nfs/dbraw/zinc/26/19/61/632261961.db2.gz HEIGYIBZZVSCBQ-DDTOSNHZSA-N 0 0 282.815 3.084 20 10 CGCDRN O[C@@H](CNc1ccccc1OCCF)CC1CCCC1 ZINC000819487783 632471752 /nfs/dbraw/zinc/47/17/52/632471752.db2.gz ICWGONLJFWZUOU-CQSZACIVSA-N 0 0 281.371 3.388 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000822227131 632888056 /nfs/dbraw/zinc/88/80/56/632888056.db2.gz WGXXEDXGCKVCOF-ZBFHGGJFSA-N 0 0 274.408 3.195 20 10 CGCDRN COc1cccc(CN[C@@H](CF)c2ccc(F)cc2)c1O ZINC000865822446 632901353 /nfs/dbraw/zinc/90/13/53/632901353.db2.gz HHULRIJSMRMEER-AWEZNQCLSA-N 0 0 293.313 3.340 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC000865904697 632945015 /nfs/dbraw/zinc/94/50/15/632945015.db2.gz QOTZTBXXFDJYMQ-CRAIPNDOSA-N 0 0 286.419 3.258 20 10 CGCDRN Cc1cc(O)c(C[NH+]2CC(CC(F)F)C2)c(Cl)c1 ZINC000822520467 632960107 /nfs/dbraw/zinc/96/01/07/632960107.db2.gz COGNFWSEONQHPN-UHFFFAOYSA-N 0 0 275.726 3.441 20 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283.799 3.294 20 10 CGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868698484 633353131 /nfs/dbraw/zinc/35/31/31/633353131.db2.gz HXQQDZGRBNACLK-PEYYIBSZSA-N 0 0 276.380 3.187 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC12CC2 ZINC000868848073 633371606 /nfs/dbraw/zinc/37/16/06/633371606.db2.gz UDRSSPKDUKSBSU-CYBMUJFWSA-N 0 0 294.782 3.178 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC000825737225 633379398 /nfs/dbraw/zinc/37/93/98/633379398.db2.gz WENFXGPUJZFXKC-YWPYICTPSA-N 0 0 291.391 3.260 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@@]12C[C@@H]1CCCC2 ZINC000868934018 633379455 /nfs/dbraw/zinc/37/94/55/633379455.db2.gz QXARPCNRROGUEL-RVSPLBMKSA-N 0 0 288.391 3.160 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000825839475 633383496 /nfs/dbraw/zinc/38/34/96/633383496.db2.gz NFOBAQYECLPSDN-JHJVBQTASA-N 0 0 291.391 3.089 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CC2CCC1CC2 ZINC000826035916 633399124 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ZINC000827960848 633541475 /nfs/dbraw/zinc/54/14/75/633541475.db2.gz XUDKFWWOQRAWDS-TUKIKUTGSA-N 0 0 273.376 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccc1O ZINC000827973523 633543740 /nfs/dbraw/zinc/54/37/40/633543740.db2.gz SPSLGOXGFPJYKC-MUYACECFSA-N 0 0 259.349 3.006 20 10 CGCDRN CCO[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827978554 633544443 /nfs/dbraw/zinc/54/44/43/633544443.db2.gz XFDLRDJTPQPQIY-GUYCJALGSA-N 0 0 299.370 3.347 20 10 CGCDRN C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C[C@H]1C)c1ccccc1O ZINC000828539944 633626485 /nfs/dbraw/zinc/62/64/85/633626485.db2.gz WXDOBLHLHGWFTI-OKWIKPQFSA-N 0 0 273.376 3.252 20 10 CGCDRN CCCCSCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203259 633723623 /nfs/dbraw/zinc/72/36/23/633723623.db2.gz VMDULDODUDNIOR-UHFFFAOYSA-N 0 0 279.405 3.158 20 10 CGCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203856 633724412 /nfs/dbraw/zinc/72/44/12/633724412.db2.gz UKSIDFDGPAEIHF-OLZOCXBDSA-N 0 0 299.395 3.408 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205728 633725495 /nfs/dbraw/zinc/72/54/95/633725495.db2.gz XLCUGRJUQSRUEO-OCCSQVGLSA-N 0 0 273.376 3.451 20 10 CGCDRN O=C([C@H]1C[C@@H]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871206152 633726316 /nfs/dbraw/zinc/72/63/16/633726316.db2.gz UATNZVZOHMSGKB-KGLIPLIRSA-N 0 0 271.360 3.061 20 10 CGCDRN Cc1cc(CCNC(=O)C(F)F)c(C)n1-c1ccccc1 ZINC000871633065 633808259 /nfs/dbraw/zinc/80/82/59/633808259.db2.gz GIWDOZUVAYBAAP-UHFFFAOYSA-N 0 0 292.329 3.018 20 10 CGCDRN C[C@@H]1OCC[C@@H]1COc1ccc(N2CCCC2)cc1 ZINC000871736607 633847831 /nfs/dbraw/zinc/84/78/31/633847831.db2.gz RAFXPYZBBJXKFT-UONOGXRCSA-N 0 0 261.365 3.091 20 10 CGCDRN CC1=CC[C@@](C)(C(=O)NCc2ccccc2O)CC1 ZINC000830526083 633868858 /nfs/dbraw/zinc/86/88/58/633868858.db2.gz CYBOCFGVMLJAEX-MRXNPFEDSA-N 0 0 259.349 3.145 20 10 CGCDRN COc1ccc(CNC(=O)O[C@H](C)CC(C)C)c(O)c1 ZINC000831347676 633945955 /nfs/dbraw/zinc/94/59/55/633945955.db2.gz DAQHXDHFSZCEIT-LLVKDONJSA-N 0 0 281.352 3.062 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000872126140 634048162 /nfs/dbraw/zinc/04/81/62/634048162.db2.gz KUFYQZZLGZPNCA-IWSPIJDZSA-N 0 0 290.190 3.121 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CC12CCC2)c1ccc(N(C)C)cc1 ZINC000872976636 634226539 /nfs/dbraw/zinc/22/65/39/634226539.db2.gz GVHIEVMKVQBXPT-SWLSCSKDSA-N 0 0 287.407 3.055 20 10 CGCDRN COC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCCC1 ZINC000834815404 634246783 /nfs/dbraw/zinc/24/67/83/634246783.db2.gz VIOTXJVFXGNJMJ-JTQLQIEISA-N 0 0 285.334 3.280 20 10 CGCDRN CC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(F)F ZINC000835055342 634339472 /nfs/dbraw/zinc/33/94/72/634339472.db2.gz UXWGMTWUYACJIK-GEXIGZQTSA-N 0 0 268.351 3.399 20 10 CGCDRN Cc1ccc2c(n1)N(C(=O)/C=C\c1cnccc1C)CCC2 ZINC000876488975 634844999 /nfs/dbraw/zinc/84/49/99/634844999.db2.gz PRTOQVJROFBDTP-FPLPWBNLSA-N 0 0 293.370 3.086 20 10 CGCDRN Cc1nc([C@H]2CCCCN2Cc2ccc(C)cc2O)no1 ZINC000876626972 634871403 /nfs/dbraw/zinc/87/14/03/634871403.db2.gz ACPVUQPOQPDKAK-CQSZACIVSA-N 0 0 287.363 3.119 20 10 CGCDRN CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(N)cc2)C1(C)C ZINC000837303259 634881912 /nfs/dbraw/zinc/88/19/12/634881912.db2.gz CFLRBSCSLAOWMJ-GJZGRUSLSA-N 0 0 272.392 3.123 20 10 CGCDRN CNc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000876768493 634896356 /nfs/dbraw/zinc/89/63/56/634896356.db2.gz WJKOTTPATKXULU-UHFFFAOYSA-N 0 0 297.402 3.033 20 10 CGCDRN Cc1ccc(CNc2cccc(N3CCOCC3)c2)c(O)c1 ZINC000876825005 634909150 /nfs/dbraw/zinc/90/91/50/634909150.db2.gz VGKONGSZQRBDBO-UHFFFAOYSA-N 0 0 298.386 3.149 20 10 CGCDRN CC[C@H](CC(F)F)C(=O)N(C)Cc1ccccc1O ZINC000837468329 634914661 /nfs/dbraw/zinc/91/46/61/634914661.db2.gz OGWUQHYWFYHCMK-SNVBAGLBSA-N 0 0 271.307 3.032 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc(C[S@](C)=O)c1 ZINC000876862060 634915488 /nfs/dbraw/zinc/91/54/88/634915488.db2.gz JABHEKQBJXSZML-FQEVSTJZSA-N 0 0 289.400 3.191 20 10 CGCDRN O=C(Nc1cccc2c1CCCC2)c1cccc(O)c1O ZINC000126204145 634918665 /nfs/dbraw/zinc/91/86/65/634918665.db2.gz OUZGPDDFKJFNQQ-UHFFFAOYSA-N 0 0 283.327 3.229 20 10 CGCDRN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(O)c1O ZINC000126239339 634926442 /nfs/dbraw/zinc/92/64/42/634926442.db2.gz MCKXJAFKCUYVRS-UHFFFAOYSA-N 0 0 281.670 3.143 20 10 CGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)s1 ZINC000126300081 634956159 /nfs/dbraw/zinc/95/61/59/634956159.db2.gz HZOTVZDOSWMYCL-ZETCQYMHSA-N 0 0 297.763 3.304 20 10 CGCDRN Cc1cc([C@@H](C)NC(=O)c2cccc(O)c2O)c(C)s1 ZINC000126310993 634959196 /nfs/dbraw/zinc/95/91/96/634959196.db2.gz XPDATOZAMHCQNO-SECBINFHSA-N 0 0 291.372 3.267 20 10 CGCDRN CCCc1ccccc1NC(=O)c1cccc(O)c1O ZINC000126319483 634961842 /nfs/dbraw/zinc/96/18/42/634961842.db2.gz DCZSOGPXSNOCFD-UHFFFAOYSA-N 0 0 271.316 3.303 20 10 CGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877076857 634974225 /nfs/dbraw/zinc/97/42/25/634974225.db2.gz VZIBEGOIGKWJIK-JTQLQIEISA-N 0 0 287.363 3.030 20 10 CGCDRN CC[C@@H](Oc1ccccc1C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077665 634975172 /nfs/dbraw/zinc/97/51/72/634975172.db2.gz QQUPBLFFGKFXLR-MRXNPFEDSA-N 0 0 298.386 3.398 20 10 CGCDRN CN(C(=O)C[C@H]1CCc2ccccc2C1)c1ccc(N)cc1 ZINC000877078651 634975298 /nfs/dbraw/zinc/97/52/98/634975298.db2.gz YCJLGODPBWPSHG-AWEZNQCLSA-N 0 0 294.398 3.427 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C(C)C)o2)c(Cl)c1 ZINC000840878464 635071326 /nfs/dbraw/zinc/07/13/26/635071326.db2.gz DFFVOIHGWLNUCO-UHFFFAOYSA-N 0 0 281.743 3.473 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc(CC(C)C)o1 ZINC000840879610 635072181 /nfs/dbraw/zinc/07/21/81/635072181.db2.gz QQKPTDQQPRWROR-UHFFFAOYSA-N 0 0 288.395 3.255 20 10 CGCDRN Cc1noc([C@H]2CCCCN2Cc2ccc(C)cc2O)n1 ZINC000877524612 635072475 /nfs/dbraw/zinc/07/24/75/635072475.db2.gz ZMBOYHNWJJHIAH-CQSZACIVSA-N 0 0 287.363 3.119 20 10 CGCDRN Cc1cc(O)c(CN[C@H]2C[C@@H](C)n3ccnc32)c(Cl)c1 ZINC000840949796 635091376 /nfs/dbraw/zinc/09/13/76/635091376.db2.gz CEAJIGWRIMXSGL-MFKMUULPSA-N 0 0 291.782 3.346 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](O)C(C)C ZINC000840968932 635096259 /nfs/dbraw/zinc/09/62/59/635096259.db2.gz WNWQQBXQFUGQGO-CHWSQXEVSA-N 0 0 289.778 3.070 20 10 CGCDRN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)n1 ZINC000841298435 635149765 /nfs/dbraw/zinc/14/97/65/635149765.db2.gz PNXMTFXCVLQLEQ-MRXNPFEDSA-N 0 0 296.374 3.341 20 10 CGCDRN CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000841300942 635150812 /nfs/dbraw/zinc/15/08/12/635150812.db2.gz XOIWDTLYOYWIOR-QGZVFWFLSA-N 0 0 295.386 3.290 20 10 CGCDRN Oc1cccc2c1CN(Cc1ncc(Cl)s1)C2 ZINC000877702777 635154337 /nfs/dbraw/zinc/15/43/37/635154337.db2.gz HIJBUMVRIHVZJB-UHFFFAOYSA-N 0 0 266.753 3.018 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877805498 635209627 /nfs/dbraw/zinc/20/96/27/635209627.db2.gz KBRDNONUXUYRJV-CCUNJIBTSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(Cl)cc1[O-] ZINC000841753039 635226900 /nfs/dbraw/zinc/22/69/00/635226900.db2.gz XIUZLUZGKCQZKJ-PWSUYJOCSA-N 0 0 269.772 3.265 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841752724 635227690 /nfs/dbraw/zinc/22/76/90/635227690.db2.gz GOFOLYLSWSNWFW-MNOVXSKESA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756835 635229747 /nfs/dbraw/zinc/22/97/47/635229747.db2.gz AOYBXRYZLHBTFU-HZMBPMFUSA-N 0 0 269.772 3.123 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCCC1CCOCC1 ZINC000842033974 635260992 /nfs/dbraw/zinc/26/09/92/635260992.db2.gz KYIDXJWBCVZDCW-UHFFFAOYSA-N 0 0 275.392 3.482 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC3(CCC3)CO2)cc1OC ZINC000877995435 635310144 /nfs/dbraw/zinc/31/01/44/635310144.db2.gz HLHYKGNNMIBSJW-AWEZNQCLSA-N 0 0 291.391 3.099 20 10 CGCDRN CCn1ccc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000842821170 635482236 /nfs/dbraw/zinc/48/22/36/635482236.db2.gz TYHJOSWEVXBVKH-UHFFFAOYSA-N 0 0 297.358 3.231 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cccc2c1NCC2 ZINC000843059853 635555759 /nfs/dbraw/zinc/55/57/59/635555759.db2.gz RTEDGJPIPOAQOK-UHFFFAOYSA-N 0 0 280.371 3.226 20 10 CGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccccc1O ZINC000878559868 635556635 /nfs/dbraw/zinc/55/66/35/635556635.db2.gz VGXXTXSSLXLRLT-XJKSGUPXSA-N 0 0 261.365 3.225 20 10 CGCDRN CCCC[N@H+](Cc1nocc1C)Cc1ccccc1O ZINC000878565883 635557940 /nfs/dbraw/zinc/55/79/40/635557940.db2.gz VFVSOTAMLVZHPC-UHFFFAOYSA-N 0 0 274.364 3.491 20 10 CGCDRN CCC[C@H](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843158997 635589021 /nfs/dbraw/zinc/58/90/21/635589021.db2.gz KIAWHBBWSXZNTP-NSHDSACASA-N 0 0 259.353 3.221 20 10 CGCDRN CCS[C@H](C)c1noc(Cc2ccc(N)cc2)n1 ZINC000843192187 635607049 /nfs/dbraw/zinc/60/70/49/635607049.db2.gz SRLKXDJVURDXCF-SECBINFHSA-N 0 0 263.366 3.057 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000844394833 635889491 /nfs/dbraw/zinc/88/94/91/635889491.db2.gz BPUVNWHLAGZKQD-RVKKMQEKSA-N 0 0 298.430 3.280 20 10 CGCDRN COCc1ccnc(NCc2ccc(N(C)C)cc2C)c1 ZINC000844710201 635956101 /nfs/dbraw/zinc/95/61/01/635956101.db2.gz XANKVKQMYHPOQR-UHFFFAOYSA-N 0 0 285.391 3.215 20 10 CGCDRN COCc1ccnc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000844709338 635956124 /nfs/dbraw/zinc/95/61/24/635956124.db2.gz XPEURQNZFZXFCS-UHFFFAOYSA-N 0 0 289.354 3.045 20 10 CGCDRN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000128477385 636013493 /nfs/dbraw/zinc/01/34/93/636013493.db2.gz VIXOWMMVFQVJPC-GXSJLCMTSA-N 0 0 284.197 3.433 20 10 CGCDRN COc1ccc(N(C)Cc2cnoc2C)cc1Cl ZINC000128894263 636090292 /nfs/dbraw/zinc/09/02/92/636090292.db2.gz IDVXPSUKALZMNA-UHFFFAOYSA-N 0 0 266.728 3.281 20 10 CGCDRN CCCNC(=O)c1ccc(NCc2cccc(C)c2O)cc1 ZINC000845989547 636127058 /nfs/dbraw/zinc/12/70/58/636127058.db2.gz IENIPYNMSYZKNF-UHFFFAOYSA-N 0 0 298.386 3.453 20 10 CGCDRN C[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000846071930 636141698 /nfs/dbraw/zinc/14/16/98/636141698.db2.gz CJTYJZGKAYWAFS-SECBINFHSA-N 0 0 287.762 3.089 20 10 CGCDRN CC[C@@H](N[C@H](C)c1cccc(OC)c1O)C(F)F ZINC000846170459 636152893 /nfs/dbraw/zinc/15/28/93/636152893.db2.gz OCEUAIMTUZJYAV-PSASIEDQSA-N 0 0 259.296 3.095 20 10 CGCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473264 636187021 /nfs/dbraw/zinc/18/70/21/636187021.db2.gz KZSKREHNQITRIE-ZJUUUORDSA-N 0 0 269.772 3.344 20 10 CGCDRN CC(C)CCO[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472354 636187453 /nfs/dbraw/zinc/18/74/53/636187453.db2.gz IQHKCAXWDCGQTA-LLVKDONJSA-N 0 0 299.798 3.113 20 10 CGCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474802 636187906 /nfs/dbraw/zinc/18/79/06/636187906.db2.gz BVWKHCCINDQIJQ-MFKMUULPSA-N 0 0 297.782 3.010 20 10 CGCDRN CS[C@H](C)CCC(=O)NCc1cc(Cl)ccc1O ZINC000846474602 636188072 /nfs/dbraw/zinc/18/80/72/636188072.db2.gz WIWKFRIOTNBWJK-SECBINFHSA-N 0 0 287.812 3.194 20 10 CGCDRN CC(C)(C)/C=C/C(=O)NCc1cc(Cl)ccc1O ZINC000846477260 636188641 /nfs/dbraw/zinc/18/86/41/636188641.db2.gz RFJNCOFYPRVQOL-VOTSOKGWSA-N 0 0 267.756 3.264 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCC(F)F ZINC000106405078 636211128 /nfs/dbraw/zinc/21/11/28/636211128.db2.gz QXWBKNGTQDMOMC-UHFFFAOYSA-N 0 0 254.305 3.444 20 10 CGCDRN COc1cccc(CNc2nnc(Cl)c(C)c2C)c1O ZINC000881909594 636215194 /nfs/dbraw/zinc/21/51/94/636215194.db2.gz NNPHTSBBRDTAOK-UHFFFAOYSA-N 0 0 293.754 3.073 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)nsc2C)cc1 ZINC000847008445 636309071 /nfs/dbraw/zinc/30/90/71/636309071.db2.gz JVMKUKYTTYZMIZ-UHFFFAOYSA-N 0 0 262.378 3.405 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccsc2)cc1 ZINC000212738703 636402520 /nfs/dbraw/zinc/40/25/20/636402520.db2.gz AYVXEGKLQLACHN-YVMONPNESA-N 0 0 286.400 3.144 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882912548 636460544 /nfs/dbraw/zinc/46/05/44/636460544.db2.gz WWRSBTCWBFKESB-HNNXBMFYSA-N 0 0 293.313 3.148 20 10 CGCDRN CCCN(Cc1nc(C2CC2)no1)Cc1ccccc1O ZINC000130730619 636505627 /nfs/dbraw/zinc/50/56/27/636505627.db2.gz CUALFPXBZHWARB-UHFFFAOYSA-N 0 0 287.363 3.065 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c(C)c1 ZINC000883048237 636520937 /nfs/dbraw/zinc/52/09/37/636520937.db2.gz KPPVORZKAMIXJJ-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883084460 636535160 /nfs/dbraw/zinc/53/51/60/636535160.db2.gz RWTMAQZDVYOBRW-UONOGXRCSA-N 0 0 299.361 3.354 20 10 CGCDRN C=C/C=C/CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000883140291 636553681 /nfs/dbraw/zinc/55/36/81/636553681.db2.gz OXDJTKUESMWMNX-ONEGZZNKSA-N 0 0 299.418 3.218 20 10 CGCDRN C[C@H](CC(=O)Nc1ccc(N)cc1)N1CCc2ccccc21 ZINC000848392873 636566763 /nfs/dbraw/zinc/56/67/63/636566763.db2.gz JBZKIVQGUBSYLR-CYBMUJFWSA-N 0 0 295.386 3.049 20 10 CGCDRN C[C@H]([NH2+]CCc1ccns1)c1cc(F)cc(F)c1[O-] ZINC000883247463 636616275 /nfs/dbraw/zinc/61/62/75/636616275.db2.gz KVRCYXZAMUUUKE-QMMMGPOBSA-N 0 0 284.331 3.020 20 10 CGCDRN CCc1cccc(CNc2ccc(N(C)C)cn2)c1O ZINC000848899089 636680965 /nfs/dbraw/zinc/68/09/65/636680965.db2.gz KMRZSFVDJVSBAK-UHFFFAOYSA-N 0 0 271.364 3.028 20 10 CGCDRN CCc1cccc(CNc2ccc3c(c2)N(C)CCO3)c1O ZINC000848901059 636681553 /nfs/dbraw/zinc/68/15/53/636681553.db2.gz NZJMTXCIDWLONJ-UHFFFAOYSA-N 0 0 298.386 3.395 20 10 CGCDRN CCc1cccc(CNCc2noc3c2CCCC3)c1O ZINC000848911885 636687382 /nfs/dbraw/zinc/68/73/82/636687382.db2.gz KFTILOLFPVNXKK-UHFFFAOYSA-N 0 0 286.375 3.111 20 10 CGCDRN CCCc1nc(C)c(CN(C)c2ccc(N)cc2)o1 ZINC000883438313 636757536 /nfs/dbraw/zinc/75/75/36/636757536.db2.gz QHBHMZULIZMEQQ-UHFFFAOYSA-N 0 0 259.353 3.154 20 10 CGCDRN CC(C)Cc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000132485601 636813710 /nfs/dbraw/zinc/81/37/10/636813710.db2.gz HTEJONUCNZNEMG-XYOKQWHBSA-N 0 0 277.414 3.374 20 10 CGCDRN COc1cc(CNc2nncs2)c(O)c(C(C)(C)C)c1 ZINC000849344713 636815377 /nfs/dbraw/zinc/81/53/77/636815377.db2.gz CBXZUNYQSXIIII-UHFFFAOYSA-N 0 0 293.392 3.162 20 10 CGCDRN Cc1cc(C)cc(N(C)Cc2cc3c(cc2O)OCO3)c1 ZINC000133243551 636887246 /nfs/dbraw/zinc/88/72/46/636887246.db2.gz FROIVLQKIXXJHR-UHFFFAOYSA-N 0 0 285.343 3.374 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1F ZINC000109019796 636919333 /nfs/dbraw/zinc/91/93/33/636919333.db2.gz QNJAHYIBJFKGDK-GFCCVEGCSA-N 0 0 287.334 3.293 20 10 CGCDRN CCOC(CSc1ncc(Cl)s1)OCC ZINC000850000476 636925130 /nfs/dbraw/zinc/92/51/30/636925130.db2.gz WJFAJZOUQHKLIA-UHFFFAOYSA-N 0 0 267.803 3.288 20 10 CGCDRN CCc1nnc(CSc2ncc(Cl)s2)o1 ZINC000849999769 636925159 /nfs/dbraw/zinc/92/51/59/636925159.db2.gz XROFCAOXUSNPFC-UHFFFAOYSA-N 0 0 261.759 3.034 20 10 CGCDRN Cn1nc(C2CC2)nc1CSc1ncc(Cl)s1 ZINC000850001731 636926150 /nfs/dbraw/zinc/92/61/50/636926150.db2.gz LVWRSJOTBWMVLQ-UHFFFAOYSA-N 0 0 286.813 3.095 20 10 CGCDRN C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850364283 637030527 /nfs/dbraw/zinc/03/05/27/637030527.db2.gz YHDXMJCHCFPGQV-MEDUHNTESA-N 0 0 298.342 3.118 20 10 CGCDRN CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850494579 637089996 /nfs/dbraw/zinc/08/99/96/637089996.db2.gz QMDGWOUYWQXGLL-FZMZJTMJSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000850495184 637091465 /nfs/dbraw/zinc/09/14/65/637091465.db2.gz XVQXZLIWQMYCHD-HIFRSBDPSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccccc1O ZINC000109772678 637267279 /nfs/dbraw/zinc/26/72/79/637267279.db2.gz OSCSGPKAFMEQHK-NSHDSACASA-N 0 0 289.379 3.266 20 10 CGCDRN Cc1nc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)cs1 ZINC000886500367 637543081 /nfs/dbraw/zinc/54/30/81/637543081.db2.gz SBMRWPKXBFSOGJ-VIFPVBQESA-N 0 0 280.368 3.190 20 10 CGCDRN Cc1ncsc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886524220 637553422 /nfs/dbraw/zinc/55/34/22/637553422.db2.gz GJPDMHDRIKROIA-VIFPVBQESA-N 0 0 266.341 3.147 20 10 CGCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1c([O-])cccc1F ZINC000886530686 637555739 /nfs/dbraw/zinc/55/57/39/637555739.db2.gz OSZSXYQQZNOINH-SWLSCSKDSA-N 0 0 289.350 3.306 20 10 CGCDRN Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886535029 637560277 /nfs/dbraw/zinc/56/02/77/637560277.db2.gz TXFCTEFPOMCLKZ-DOMZBBRYSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000886576999 637587916 /nfs/dbraw/zinc/58/79/16/637587916.db2.gz UZYVHVVAJIIXEM-IUCAKERBSA-N 0 0 259.271 3.370 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCCS1)c1c([O-])cccc1F ZINC000886587559 637593924 /nfs/dbraw/zinc/59/39/24/637593924.db2.gz BCFCSHPTYSRRPO-GHMZBOCLSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1c([O-])cccc1F ZINC000886594249 637596469 /nfs/dbraw/zinc/59/64/69/637596469.db2.gz ISUOQAWRMUVCRN-WDEREUQCSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1c([O-])cccc1F ZINC000886592574 637596630 /nfs/dbraw/zinc/59/66/30/637596630.db2.gz XNCOMJWBGRCREP-YMRXKLBXSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@@H](N[C@H](C)C(F)(F)F)c1c(O)cccc1F ZINC000886610853 637603850 /nfs/dbraw/zinc/60/38/50/637603850.db2.gz LZGMIUPCVZQPAJ-RNFRBKRXSA-N 0 0 251.223 3.133 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@H](C)c2c([O-])cccc2F)o1 ZINC000886614078 637607242 /nfs/dbraw/zinc/60/72/42/637607242.db2.gz MUQGVSLZTVHNIL-SNVBAGLBSA-N 0 0 278.327 3.241 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886618982 637611561 /nfs/dbraw/zinc/61/15/61/637611561.db2.gz PRQUVCNSVTVQSV-SNVBAGLBSA-N 0 0 280.368 3.190 20 10 CGCDRN C[C@@H](NCc1cc(C2CC2)no1)c1c(O)cccc1F ZINC000886685878 637651188 /nfs/dbraw/zinc/65/11/88/637651188.db2.gz FPCWXXUXNILRQN-SECBINFHSA-N 0 0 276.311 3.248 20 10 CGCDRN Nc1ccc(NC(=O)C2CCC(C3CC3)CC2)cc1 ZINC000852790922 637713953 /nfs/dbraw/zinc/71/39/53/637713953.db2.gz VVEGBASMTNRBLG-UHFFFAOYSA-N 0 0 258.365 3.424 20 10 CGCDRN CCOc1ccc(CNc2ccc(N)c(C)c2)c(O)c1 ZINC000853249073 637794017 /nfs/dbraw/zinc/79/40/17/637794017.db2.gz CJBAXIABNDTIBZ-UHFFFAOYSA-N 0 0 272.348 3.294 20 10 CGCDRN COCc1nc(C)cc(Sc2ncc(Cl)s2)n1 ZINC000853963818 637965072 /nfs/dbraw/zinc/96/50/72/637965072.db2.gz BEKGPDKTGDTWOF-UHFFFAOYSA-N 0 0 287.797 3.193 20 10 CGCDRN Cc1cc(C(=O)NCC2=CCCC2)c(C)n1-c1ccccn1 ZINC000856096352 638300007 /nfs/dbraw/zinc/30/00/07/638300007.db2.gz VUSYWFWGFJCVSY-UHFFFAOYSA-N 0 0 295.386 3.329 20 10 CGCDRN Cc1nc2c(o1)CCC[C@@H]2NCc1ccc(N(C)C)cc1 ZINC000924572772 638365354 /nfs/dbraw/zinc/36/53/54/638365354.db2.gz DRXQLAUDXWVXSS-HNNXBMFYSA-N 0 0 285.391 3.216 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@H](C)CC(C)C)c1 ZINC000114542415 638375955 /nfs/dbraw/zinc/37/59/55/638375955.db2.gz PFLAQGAKDUNCND-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN Fc1ccc(NCc2ccc(N3CCCCC3)cc2)nn1 ZINC000857225753 638479144 /nfs/dbraw/zinc/47/91/44/638479144.db2.gz XKYLRGBDOTUJHG-UHFFFAOYSA-N 0 0 286.354 3.218 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(Cl)cn1 ZINC000857547833 638516896 /nfs/dbraw/zinc/51/68/96/638516896.db2.gz WBCGILIDSKKNDD-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1(c2cccc(F)c2)CC1 ZINC000115710021 638596312 /nfs/dbraw/zinc/59/63/12/638596312.db2.gz LPBDZTYVBQXQQP-UHFFFAOYSA-N 0 0 299.345 3.222 20 10 CGCDRN Cc1nc(CNCc2cc(F)c(N(C)C)cc2F)cs1 ZINC000858101931 638628092 /nfs/dbraw/zinc/62/80/92/638628092.db2.gz KZSRRLZIIFWYBS-UHFFFAOYSA-N 0 0 297.374 3.086 20 10 CGCDRN CCSCC[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858263122 638668111 /nfs/dbraw/zinc/66/81/11/638668111.db2.gz UMUSFQQJNDQILX-GFCCVEGCSA-N 0 0 296.436 3.032 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCC2(C)C)c1 ZINC000858271970 638669154 /nfs/dbraw/zinc/66/91/54/638669154.db2.gz QIGJDAINDVJIIZ-CQSZACIVSA-N 0 0 276.380 3.079 20 10 CGCDRN Cc1ncccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000858519251 638753755 /nfs/dbraw/zinc/75/37/55/638753755.db2.gz XLKWLIZUTPROQX-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN CCc1ncc(CN(CC)c2ccc(OC)cc2)o1 ZINC000929905190 638960296 /nfs/dbraw/zinc/96/02/96/638960296.db2.gz UNOZZHFMLZZXGO-UHFFFAOYSA-N 0 0 260.337 3.272 20 10 CGCDRN O=C(CCCC1CC1)NCc1ccc2cccnc2c1O ZINC000862026557 639634555 /nfs/dbraw/zinc/63/45/55/639634555.db2.gz SMQFASRPNKAEEC-UHFFFAOYSA-N 0 0 284.359 3.137 20 10 CGCDRN CCCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862029181 639636103 /nfs/dbraw/zinc/63/61/03/639636103.db2.gz UFGUWVDHOCKDIV-UHFFFAOYSA-N 0 0 272.348 3.137 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000049122733 640084620 /nfs/dbraw/zinc/08/46/20/640084620.db2.gz FMCKHUSHMOXPIJ-FZMZJTMJSA-N 0 0 261.369 3.359 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(C)CC1 ZINC000160030332 640086397 /nfs/dbraw/zinc/08/63/97/640086397.db2.gz VQMLGNYEZRUTOL-UHFFFAOYSA-N 0 0 286.419 3.435 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(C2CCC2)cc1 ZINC000189557099 640199579 /nfs/dbraw/zinc/19/95/79/640199579.db2.gz RXCPVRPGNWABGB-UHFFFAOYSA-N 0 0 297.354 3.295 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1nccs1 ZINC000077591244 640249176 /nfs/dbraw/zinc/24/91/76/640249176.db2.gz FHHLUDXSPUJYQA-MNOVXSKESA-N 0 0 284.450 3.272 20 10 CGCDRN CC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000080011999 640442426 /nfs/dbraw/zinc/44/24/26/640442426.db2.gz VIYYEMRKAOOSGJ-CQSZACIVSA-N 0 0 289.423 3.227 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N(CC)C2CC2)cc1 ZINC000193413841 640456651 /nfs/dbraw/zinc/45/66/51/640456651.db2.gz GZZSTEZDDJDTEP-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN CC(C)CN(C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000193958160 640504068 /nfs/dbraw/zinc/50/40/68/640504068.db2.gz VIWUVAVTHVSBQP-UHFFFAOYSA-N 0 0 291.439 3.329 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)C[C@H]1C ZINC000248558392 640769759 /nfs/dbraw/zinc/76/97/59/640769759.db2.gz AHAQPMKCIUFDEG-NFAWXSAZSA-N 0 0 290.407 3.358 20 10 CGCDRN CN(C)c1ccc(Cc2ccc3c(c2)OCCN3C)cc1 ZINC001250434137 805614600 /nfs/dbraw/zinc/61/46/00/805614600.db2.gz HDBIAWFPVMRYEF-UHFFFAOYSA-N 0 0 282.387 3.172 20 10 CGCDRN CC[C@@H](O)CNc1ccccc1C(=O)c1ccc(OC)cc1 ZINC001251795940 805936361 /nfs/dbraw/zinc/93/63/61/805936361.db2.gz ONDFSFMNYVIKKO-CQSZACIVSA-N 0 0 299.370 3.109 20 10 CGCDRN Oc1ccc(CNc2ccc3cc(F)ccc3n2)cc1O ZINC001158995649 806028426 /nfs/dbraw/zinc/02/84/26/806028426.db2.gz KSJZKOYFACIWIU-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN COC(=O)c1ccc(Nc2ccc3c(c2)CCN3)cc1C ZINC001159522928 806117349 /nfs/dbraw/zinc/11/73/49/806117349.db2.gz QAUMWJXJUQVDEW-UHFFFAOYSA-N 0 0 282.343 3.493 20 10 CGCDRN Cc1cccc(CNc2nc(Cl)nc3[nH]ccc32)c1O ZINC001160765218 806300718 /nfs/dbraw/zinc/30/07/18/806300718.db2.gz XFIJRDXFXXQJRK-UHFFFAOYSA-N 0 0 288.738 3.237 20 10 CGCDRN Nc1ccc(CNc2nncc3cc(Cl)ccc32)cc1 ZINC001162785384 806664543 /nfs/dbraw/zinc/66/45/43/806664543.db2.gz BSYJTMNURHELNQ-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H]2CCCC[C@H]12 ZINC000037811190 798875987 /nfs/dbraw/zinc/87/59/87/798875987.db2.gz UCSVOPQBAWTDKG-XYPHTWIQSA-N 0 0 286.419 3.239 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1 ZINC000094195918 798969344 /nfs/dbraw/zinc/96/93/44/798969344.db2.gz BWPVPUGJLBCBDT-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2ccccc2O)c(C)c1 ZINC000161046189 799078490 /nfs/dbraw/zinc/07/84/90/799078490.db2.gz IYKHHOIZJLHJNK-UHFFFAOYSA-N 0 0 269.344 3.247 20 10 CGCDRN CCOc1ccccc1-c1noc(Cc2ccc(N)cc2)n1 ZINC000388236239 799452036 /nfs/dbraw/zinc/45/20/36/799452036.db2.gz YZDHVQBNPFNEHN-UHFFFAOYSA-N 0 0 295.342 3.308 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])[C@@H]1C ZINC000390501791 799472094 /nfs/dbraw/zinc/47/20/94/799472094.db2.gz UZXLZFCKHJXKBS-LNLATYFQSA-N 0 0 284.197 3.289 20 10 CGCDRN Nc1ccc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1 ZINC000391061636 799476410 /nfs/dbraw/zinc/47/64/10/799476410.db2.gz PZQYGJJDUMRSGB-SNVBAGLBSA-N 0 0 283.322 3.216 20 10 CGCDRN CO[C@@H](CN(C)c1ccc(N)cc1)c1ccccc1 ZINC000393532080 799487714 /nfs/dbraw/zinc/48/77/14/799487714.db2.gz WLABRUOHWRQRNI-INIZCTEOSA-N 0 0 256.349 3.093 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)O1 ZINC000394965896 799501845 /nfs/dbraw/zinc/50/18/45/799501845.db2.gz PVGBZWVTRFURKQ-RGNHYFCHSA-N 0 0 290.190 3.355 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc21 ZINC000588403247 799689396 /nfs/dbraw/zinc/68/93/96/799689396.db2.gz AURNRNYIXHFLCM-UPZNUWHASA-N 0 0 295.338 3.261 20 10 CGCDRN CCC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCC1 ZINC000588407489 799690049 /nfs/dbraw/zinc/69/00/49/799690049.db2.gz XETDSWNGERRQDB-VURMDHGXSA-N 0 0 289.375 3.198 20 10 CGCDRN Cc1cc(C=C2SC(=S)NC2=O)ccc1Cl ZINC000588410046 799690211 /nfs/dbraw/zinc/69/02/11/799690211.db2.gz ZYDXUTILBUDBMV-UITAMQMPSA-N 0 0 269.778 3.137 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cscn1 ZINC000697915640 799851776 /nfs/dbraw/zinc/85/17/76/799851776.db2.gz DOQABWFNVKJRLQ-MRVPVSSYSA-N 0 0 268.769 3.353 20 10 CGCDRN CSCCCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703255683 799920350 /nfs/dbraw/zinc/92/03/50/799920350.db2.gz HGRWKKGAIBAZFM-UHFFFAOYSA-N 0 0 275.364 3.293 20 10 CGCDRN [O-]c1c(C[NH+]2CCC(C(F)F)CC2)ccc(F)c1F ZINC000703490330 799923806 /nfs/dbraw/zinc/92/38/06/799923806.db2.gz MHCCWWXEEXWERQ-UHFFFAOYSA-N 0 0 277.261 3.148 20 10 CGCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(F)(F)F ZINC000703382607 799924293 /nfs/dbraw/zinc/92/42/93/799924293.db2.gz ORAWSUSFPYFTRL-SSDOTTSWSA-N 0 0 283.240 3.349 20 10 CGCDRN Nc1ccc(NC(=O)C[C@@H]2CCCC2(F)F)cc1 ZINC000714040352 800117271 /nfs/dbraw/zinc/11/72/71/800117271.db2.gz OMNBNSVKXSHHBL-VIFPVBQESA-N 0 0 254.280 3.033 20 10 CGCDRN CC[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715712861 800145146 /nfs/dbraw/zinc/14/51/46/800145146.db2.gz MBJVRCXKLSNURA-ZETCQYMHSA-N 0 0 276.149 3.182 20 10 CGCDRN CN(C[C@@H]1CCC2(CCC2)CO1)c1ccc(N)cc1 ZINC000716338423 800168679 /nfs/dbraw/zinc/16/86/79/800168679.db2.gz YNMQWFFSIAVLQQ-HNNXBMFYSA-N 0 0 260.381 3.054 20 10 CGCDRN COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000932369920 800658929 /nfs/dbraw/zinc/65/89/29/800658929.db2.gz OIVFSBXRDHITGW-JTQLQIEISA-N 0 0 299.798 3.151 20 10 CGCDRN CC[C@@H](C)Oc1cc(N2Cc3cccc(O)c3C2)nc(C)n1 ZINC001163968552 806864511 /nfs/dbraw/zinc/86/45/11/806864511.db2.gz QEEVEGFWGHRACZ-LLVKDONJSA-N 0 0 299.374 3.188 20 10 CGCDRN Cc1ccc([N+](=O)[O-])c(NCc2c(O)cccc2F)c1 ZINC001164185629 806909966 /nfs/dbraw/zinc/90/99/66/806909966.db2.gz ONGASYPAOZLDLJ-UHFFFAOYSA-N 0 0 276.267 3.360 20 10 CGCDRN CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001116489107 802365031 /nfs/dbraw/zinc/36/50/31/802365031.db2.gz WVSYTJYSULGEKV-ZIAGYGMSSA-N 0 0 282.815 3.008 20 10 CGCDRN C[C@@H](NC(=S)NCC1CCC1)c1ccc(N(C)C)cc1 ZINC001116646490 802391114 /nfs/dbraw/zinc/39/11/14/802391114.db2.gz IPAWJJWMBXERKA-GFCCVEGCSA-N 0 0 291.464 3.078 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccccc1 ZINC001116836951 802418014 /nfs/dbraw/zinc/41/80/14/802418014.db2.gz MIIGQVDACPPYJL-UHFFFAOYSA-N 0 0 273.679 3.129 20 10 CGCDRN C[C@H]([NH2+]C/C=C\C1CC1)c1cc(F)cc(F)c1[O-] ZINC001117751935 802486909 /nfs/dbraw/zinc/48/69/09/802486909.db2.gz XJXIZAAVRULDCY-XADBCAIWSA-N 0 0 253.292 3.287 20 10 CGCDRN Cc1cc([C@H](C)NC(=O)C2=CC(=O)CS2)c(C)o1 ZINC001118618338 802590831 /nfs/dbraw/zinc/59/08/31/802590831.db2.gz MSMWIRIKEQCSIF-QMMMGPOBSA-N 0 0 265.334 3.155 20 10 CGCDRN C/C=C/C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120584227 802750085 /nfs/dbraw/zinc/75/00/85/802750085.db2.gz AIAUBPFJQYMVAC-FAAWYNLUSA-N 0 0 287.407 3.157 20 10 CGCDRN CC(C)NC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC001200787949 811745379 /nfs/dbraw/zinc/74/53/79/811745379.db2.gz FAOSYHCXNBNQTC-UHFFFAOYSA-N 0 0 291.464 3.049 20 10 CGCDRN Cc1cc(NC(=S)NCc2ccccc2O)ccc1F ZINC001201042695 811781761 /nfs/dbraw/zinc/78/17/61/811781761.db2.gz XTGQRLOSHVQZGR-UHFFFAOYSA-N 0 0 290.363 3.326 20 10 CGCDRN Cc1cc(NC(=S)NCc2ccc(F)cn2)ccc1F ZINC001201044835 811782004 /nfs/dbraw/zinc/78/20/04/811782004.db2.gz LUAIESQKQKUYBD-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1cncc(-c2cc(=O)n(C)c3ccccc23)c1C ZINC001244152243 803213160 /nfs/dbraw/zinc/21/31/60/803213160.db2.gz KUDSDZQOLJHPKA-UHFFFAOYSA-N 0 0 264.328 3.217 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2cnc(OC(C)C)c(C)c2)n1 ZINC001244686659 803495467 /nfs/dbraw/zinc/49/54/67/803495467.db2.gz RLJVLYITHVJHGR-UHFFFAOYSA-N 0 0 296.374 3.434 20 10 CGCDRN COc1c(Nc2cccc(O)c2O)ccc(F)c1F ZINC001211897870 814953966 /nfs/dbraw/zinc/95/39/66/814953966.db2.gz RBTCFOVCIMODOQ-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2cccc(Cl)c2N)n1 ZINC001245179972 803658178 /nfs/dbraw/zinc/65/81/78/803658178.db2.gz ZEXCWPHEMHPXBK-UHFFFAOYSA-N 0 0 272.739 3.179 20 10 CGCDRN Cc1cccc2oc(C(=O)NCc3ccccc3O)cc21 ZINC001137471464 803736252 /nfs/dbraw/zinc/73/62/52/803736252.db2.gz MAPHNUFAGVDYDJ-UHFFFAOYSA-N 0 0 281.311 3.377 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001137831704 803776927 /nfs/dbraw/zinc/77/69/27/803776927.db2.gz KOCURGCEIKJVRZ-LBPRGKRZSA-N 0 0 277.261 3.101 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001137837506 803781594 /nfs/dbraw/zinc/78/15/94/803781594.db2.gz JMOJICPYICSGDN-CQSZACIVSA-N 0 0 287.334 3.185 20 10 CGCDRN Cc1cc(CN2CCCC(=O)C2)c(C)n1-c1ccccc1 ZINC001137857965 803785728 /nfs/dbraw/zinc/78/57/28/803785728.db2.gz QIUJVHBIKYYTAM-UHFFFAOYSA-N 0 0 282.387 3.259 20 10 CGCDRN Cc1cc(CN2C[C@@H]3C[C@H]2CO3)c(C)n1-c1ccccc1 ZINC001137857952 803785976 /nfs/dbraw/zinc/78/59/76/803785976.db2.gz PNGLCZSYYOPCIJ-ROUUACIJSA-N 0 0 282.387 3.067 20 10 CGCDRN Cc1ccc(NC(=S)NCc2cccn2C)cc1Cl ZINC001245857183 804000638 /nfs/dbraw/zinc/00/06/38/804000638.db2.gz MTMJRVDZWQASCE-UHFFFAOYSA-N 0 0 293.823 3.474 20 10 CGCDRN C[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])CC1(F)F ZINC001139685653 804252434 /nfs/dbraw/zinc/25/24/34/804252434.db2.gz RPDRDTMKRBGGJS-MRVPVSSYSA-N 0 0 277.261 3.148 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001139683597 804252885 /nfs/dbraw/zinc/25/28/85/804252885.db2.gz NXZFMXMYHBSCFN-HNNXBMFYSA-N 0 0 290.313 3.403 20 10 CGCDRN [O-]c1c(F)ccc(F)c1CN1CCc2c(F)cccc2C1 ZINC001139686435 804253807 /nfs/dbraw/zinc/25/38/07/804253807.db2.gz ZLGRZGVTJKTEAI-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN CC[N@H+](Cc1ccc2c(cnn2C)c1)Cc1ccccc1O ZINC001139952309 804332908 /nfs/dbraw/zinc/33/29/08/804332908.db2.gz GTWZLRSHSFQNFY-UHFFFAOYSA-N 0 0 295.386 3.301 20 10 CGCDRN C[C@@H]1C(=O)CC[N@H+](Cc2cc(F)ccc2O)C12CCCC2 ZINC001140056310 804363918 /nfs/dbraw/zinc/36/39/18/804363918.db2.gz QPQRGDXLTUYZKN-GFCCVEGCSA-N 0 0 291.366 3.255 20 10 CGCDRN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1c(O)cccc1Cl ZINC001140341922 804419963 /nfs/dbraw/zinc/41/99/63/804419963.db2.gz LCYMTBFPBRJXAG-HZMBPMFUSA-N 0 0 299.798 3.065 20 10 CGCDRN C[N@H+](Cc1ccncc1)Cc1ccc(Cl)cc1O 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c1ccn(-c2ccc(-c3nnc(-c4csnn4)o3)cc2)c1 ZINC001256934877 807013429 /nfs/dbraw/zinc/01/34/29/807013429.db2.gz ACGJBXFCIASQRD-UHFFFAOYSA-N 0 0 295.327 3.046 20 10 CGCDRN Cc1ncoc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256941372 807014313 /nfs/dbraw/zinc/01/43/13/807014313.db2.gz XGOVHDBEFFYTHQ-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN CCN(CC)c1ccc(CN2CCC(F)(F)C2)c(O)c1 ZINC001140851483 804533508 /nfs/dbraw/zinc/53/35/08/804533508.db2.gz JOFGOEFOGWIEMI-UHFFFAOYSA-N 0 0 284.350 3.079 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c(Cl)c1 ZINC001140922331 804549117 /nfs/dbraw/zinc/54/91/17/804549117.db2.gz OOFCGKDUZZDAKZ-WBMJQRKESA-N 0 0 294.826 3.017 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(Cl)c1 ZINC001140925130 804551204 /nfs/dbraw/zinc/55/12/04/804551204.db2.gz OJSALZVTFNBUBN-INIZCTEOSA-N 0 0 294.826 3.161 20 10 CGCDRN O=C(c1cccc(O)c1O)N(C1CC1)C1CCCCC1 ZINC001142049435 804692730 /nfs/dbraw/zinc/69/27/30/804692730.db2.gz SIFOBOMNKSDYJE-UHFFFAOYSA-N 0 0 275.348 3.035 20 10 CGCDRN C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(F)c(F)cc1[O-] ZINC001142501846 804726082 /nfs/dbraw/zinc/72/60/82/804726082.db2.gz BXMAFXHREBVZAQ-UWVGGRQHSA-N 0 0 255.308 3.433 20 10 CGCDRN C[N@H+](CCc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142502775 804726461 /nfs/dbraw/zinc/72/64/61/804726461.db2.gz XQEZOXPFINEIHF-UHFFFAOYSA-N 0 0 277.314 3.345 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001142513001 804729042 /nfs/dbraw/zinc/72/90/42/804729042.db2.gz SFFUXKKJILGJKH-SCZZXKLOSA-N 0 0 289.272 3.148 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001142520400 804729820 /nfs/dbraw/zinc/72/98/20/804729820.db2.gz IBQHLMKDFLBPEI-VIFPVBQESA-N 0 0 295.251 3.445 20 10 CGCDRN Cc1cc(C)c(CNC(=O)[C@]2(C)CC=CCC2)c(O)c1 ZINC001142551977 804737433 /nfs/dbraw/zinc/73/74/33/804737433.db2.gz LHDXMVHNKXUTCS-QGZVFWFLSA-N 0 0 273.376 3.372 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C(C)C ZINC001142660846 804751450 /nfs/dbraw/zinc/75/14/50/804751450.db2.gz GTWYJTZWBJWSQY-KPKJPENVSA-N 0 0 274.408 3.313 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C(F)F ZINC001142792148 804771378 /nfs/dbraw/zinc/77/13/78/804771378.db2.gz KPUCSAZGHBSLEB-GFCCVEGCSA-N 0 0 283.318 3.014 20 10 CGCDRN Cc1ccccc1/N=N/c1ccc(NC(=O)C(N)=O)c(C)c1 ZINC001142939777 804788091 /nfs/dbraw/zinc/78/80/91/804788091.db2.gz ICULMYLIPVGGBV-FMQUCBEESA-N 0 0 296.330 3.143 20 10 CGCDRN COc1cc(F)ccc1-c1noc(Cc2ccc(N)cc2)n1 ZINC001248183728 804892120 /nfs/dbraw/zinc/89/21/20/804892120.db2.gz LOZUQKIPYNNMMV-UHFFFAOYSA-N 0 0 299.305 3.057 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(F)c([O-])cc1F ZINC001144659534 805028538 /nfs/dbraw/zinc/02/85/38/805028538.db2.gz MEOZJNPBVZGQHU-UHFFFAOYSA-N 0 0 293.313 3.398 20 10 CGCDRN COC(=O)c1cnc(SCC2CC(C)C2)s1 ZINC001166234113 807041633 /nfs/dbraw/zinc/04/16/33/807041633.db2.gz HEMRBGKLZQZWGN-UHFFFAOYSA-N 0 0 257.380 3.068 20 10 CGCDRN COC(=O)c1cnc(SC2CC3(CCC3)C2)s1 ZINC001166236263 807042295 /nfs/dbraw/zinc/04/22/95/807042295.db2.gz 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278.315 3.433 20 10 CGCDRN Oc1cc2cc(-c3nnc(CC4CCCC4)o3)[nH]c2cc1O ZINC001258618405 807512014 /nfs/dbraw/zinc/51/20/14/807512014.db2.gz VECUYWWFEIFRKU-UHFFFAOYSA-N 0 0 299.330 3.362 20 10 CGCDRN Oc1ccc(CNc2ncc(-c3ccccc3)cn2)cc1O ZINC001169992651 807735464 /nfs/dbraw/zinc/73/54/64/807735464.db2.gz ACIGOWCVDKJGHK-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN Cn1cccc1-c1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169993054 807735538 /nfs/dbraw/zinc/73/55/38/807735538.db2.gz MNCHNGVNDLZVLS-UHFFFAOYSA-N 0 0 295.342 3.110 20 10 CGCDRN CCOc1cc(NCc2ccc(O)c(O)c2)cc(OC)c1 ZINC001169997295 807736290 /nfs/dbraw/zinc/73/62/90/807736290.db2.gz RRVGYGLUMCKULZ-UHFFFAOYSA-N 0 0 289.331 3.117 20 10 CGCDRN COc1nnc(NCc2cc3ccccc3cc2O)cc1C ZINC001171399859 808045969 /nfs/dbraw/zinc/04/59/69/808045969.db2.gz NXMFGEHOPJRRJT-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N[C@H](C)c1ccccc1O ZINC001171723547 808125590 /nfs/dbraw/zinc/12/55/90/808125590.db2.gz UFSDNVOLEHJCSY-QROSGCPLSA-N 0 0 288.372 3.048 20 10 CGCDRN Nc1ccc(N(c2cn[nH]c2)c2ccccc2)cc1 ZINC001174296764 808938957 /nfs/dbraw/zinc/93/89/57/808938957.db2.gz UDRBWJIFFZZLRT-UHFFFAOYSA-N 0 0 250.305 3.462 20 10 CGCDRN O=C(/C=C\c1ccccc1F)N1Cc2cccc(O)c2C1 ZINC001175038534 809247959 /nfs/dbraw/zinc/24/79/59/809247959.db2.gz RKIUBZZPUAMFMU-HJWRWDBZSA-N 0 0 283.302 3.087 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(F)c(F)cc1F ZINC001175091666 809265642 /nfs/dbraw/zinc/26/56/42/809265642.db2.gz TWVSZYAULRFFSB-UHFFFAOYSA-N 0 0 252.239 3.454 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001290152656 809403293 /nfs/dbraw/zinc/40/32/93/809403293.db2.gz FESIVTQOUXTKNM-UHFFFAOYSA-N 0 0 268.276 3.101 20 10 CGCDRN Cc1cc(N(C)c2ccc(N)cc2)cc2c[nH]nc21 ZINC001175521306 809440134 /nfs/dbraw/zinc/44/01/34/809440134.db2.gz LWQBQVBJJVSIGT-UHFFFAOYSA-N 0 0 252.321 3.221 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(F)c(C(F)F)c1 ZINC001294924703 809477922 /nfs/dbraw/zinc/47/79/22/809477922.db2.gz HNFJHZPSXSYFDG-UHFFFAOYSA-N 0 0 295.260 3.399 20 10 CGCDRN 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CCC[C@@H](CC)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001354372377 937100172 /nfs/dbraw/zinc/10/01/72/937100172.db2.gz YZGNZHCVMDOFRM-CYBMUJFWSA-N 0 0 290.407 3.304 20 10 CGCDRN CCCCCC[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC001356229361 937155853 /nfs/dbraw/zinc/15/58/53/937155853.db2.gz YKQGLRAUASRBOM-CYBMUJFWSA-N 0 0 262.397 3.492 20 10 CGCDRN COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)cc1 ZINC001437389814 937293951 /nfs/dbraw/zinc/29/39/51/937293951.db2.gz UXSJLBIUAZKEDG-CMDGGOBGSA-N 0 0 288.372 3.136 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CSc2ccccc21)c1ccccc1O ZINC001454804131 937412797 /nfs/dbraw/zinc/41/27/97/937412797.db2.gz HTLKKXJEAOVLNM-RISCZKNCSA-N 0 0 299.395 3.459 20 10 CGCDRN C[C@@H](NC(=O)CCNc1ccccc1)c1ccccc1O ZINC001454803581 937412744 /nfs/dbraw/zinc/41/27/44/937412744.db2.gz FMSFKWNXFCQZOM-CYBMUJFWSA-N 0 0 284.359 3.072 20 10 CGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCC[C@@H](C)C1 ZINC001457868748 937447220 /nfs/dbraw/zinc/44/72/20/937447220.db2.gz UWQMEBOZWMPESF-VWYCJHECSA-N 0 0 295.354 3.182 20 10 CGCDRN Oc1ccc(O)c(CNc2ccnc(-c3ccccc3)n2)c1 ZINC001458570769 937469290 /nfs/dbraw/zinc/46/92/90/937469290.db2.gz IWVFLTYXALLVCU-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN O=C(CSc1ncc(Cl)s1)NCc1ccccc1 ZINC001459201366 937481791 /nfs/dbraw/zinc/48/17/91/937481791.db2.gz URXPWGXPGAXJTR-UHFFFAOYSA-N 0 0 298.820 3.205 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@H]2CC[C@@H](C)O2)cc1 ZINC001460130415 937516579 /nfs/dbraw/zinc/51/65/79/937516579.db2.gz NWPZCUWPQYOGRE-CXAGYDPISA-N 0 0 275.392 3.479 20 10 CGCDRN COC(=O)/C(C)=C/CN(CC(C)C)c1ccc(OC)cc1 ZINC001460296375 937525678 /nfs/dbraw/zinc/52/56/78/937525678.db2.gz HQQNVLQLHSQFKQ-GXDHUFHOSA-N 0 0 291.391 3.277 20 10 CGCDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cn(C)cn1 ZINC001460523827 937533728 /nfs/dbraw/zinc/53/37/28/937533728.db2.gz XVHJAPHUTAYADG-SREVYHEPSA-N 0 0 289.766 3.058 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1cccc(Cl)n1 ZINC001460743935 937543190 /nfs/dbraw/zinc/54/31/90/937543190.db2.gz ZUEBFRGVWRVBDC-LUAWRHEFSA-N 0 0 287.750 3.196 20 10 CGCDRN 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CC(C)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC001558365620 938214844 /nfs/dbraw/zinc/21/48/44/938214844.db2.gz XLABOGWGAMRAER-HNNXBMFYSA-N 0 0 299.370 3.095 20 10 CGCDRN CC[C@H](C)[C@H](C)Sc1ncc(C(=O)OC)s1 ZINC001559416540 938226401 /nfs/dbraw/zinc/22/64/01/938226401.db2.gz NNNYUAMCQZAIBC-YUMQZZPRSA-N 0 0 259.396 3.456 20 10 CGCDRN CC[C@H](CN(C)c1ccc(OC(C)C)cc1)OC ZINC001559748888 938234245 /nfs/dbraw/zinc/23/42/45/938234245.db2.gz ZHORZUGNWYDEQU-CQSZACIVSA-N 0 0 251.370 3.335 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC001560248026 938249056 /nfs/dbraw/zinc/24/90/56/938249056.db2.gz SZGHAXPJECQEBJ-UHFFFAOYSA-N 0 0 265.715 3.475 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC[C@@H]2C=CCC2)c1 ZINC001560577154 938263652 /nfs/dbraw/zinc/26/36/52/938263652.db2.gz ZSGXIGMSNVIIGM-GFCCVEGCSA-N 0 0 276.336 3.136 20 10 CGCDRN COC1(C[NH2+]Cc2cc(F)c(F)cc2[O-])CCC(C)CC1 ZINC001560803052 938276690 /nfs/dbraw/zinc/27/66/90/938276690.db2.gz LMYIWSLLBJKEBO-UHFFFAOYSA-N 0 0 299.361 3.355 20 10 CGCDRN CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001560834384 938278194 /nfs/dbraw/zinc/27/81/94/938278194.db2.gz MCOKBSBSEHPYIM-QWHCGFSZSA-N 0 0 297.345 3.060 20 10 CGCDRN CC(C)(CCNC(=O)NCc1c(O)cccc1F)C1CC1 ZINC001564841936 960697081 /nfs/dbraw/zinc/69/70/81/960697081.db2.gz LFPAJYYOZRLKBN-UHFFFAOYSA-N 0 0 294.370 3.157 20 10 CGCDRN CC(C)C[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001566681050 960984717 /nfs/dbraw/zinc/98/47/17/960984717.db2.gz OKZQLFLBJFYPNX-VIFPVBQESA-N 0 0 293.388 3.477 20 10 CGCDRN C=C/C=C\CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001570418121 961960219 /nfs/dbraw/zinc/96/02/19/961960219.db2.gz GNNVOELBMOUSRW-ZPIQOJFGSA-N 0 0 286.419 3.241 20 10 CGCDRN COC(=O)[C@H](C)Cc1ccc(NCc2ccc(N)cc2)cc1 ZINC001578768227 962603317 /nfs/dbraw/zinc/60/33/17/962603317.db2.gz LAAREYLXORVPIG-CYBMUJFWSA-N 0 0 298.386 3.233 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1CC2CCC1CC2 ZINC001583397658 962802489 /nfs/dbraw/zinc/80/24/89/962802489.db2.gz LANKFYFGGWWZPE-YUVKLTJASA-N 0 0 279.405 3.398 20 10 CGCDRN CCOc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1 ZINC001583915967 962866281 /nfs/dbraw/zinc/86/62/81/962866281.db2.gz MJEFZBRXRWWZSF-KPKJPENVSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N1CCc2ccc(F)cc21 ZINC001586505038 963109523 /nfs/dbraw/zinc/10/95/23/963109523.db2.gz CJXYAXRRUYKDJR-ALCCZGGFSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc(O)c(C)c2)c1 ZINC001587082117 963169597 /nfs/dbraw/zinc/16/95/97/963169597.db2.gz FBCQBTKYNDAEJE-QPJJXVBHSA-N 0 0 282.343 3.080 20 10 CGCDRN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1C ZINC001587447308 963194721 /nfs/dbraw/zinc/19/47/21/963194721.db2.gz PGTRCSXYUGCLQG-GFCCVEGCSA-N 0 0 297.354 3.394 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1O ZINC001589123178 963345753 /nfs/dbraw/zinc/34/57/53/963345753.db2.gz JRPABNKOEKHIPO-IUIKQTSFSA-N 0 0 297.354 3.356 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC001589281112 963977932 /nfs/dbraw/zinc/97/79/32/963977932.db2.gz QWSMFRXPQOWGGQ-SWLSCSKDSA-N 0 0 291.391 3.058 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)CC(F)F ZINC001592707331 979188186 /nfs/dbraw/zinc/18/81/86/979188186.db2.gz ZDABFRRDGLVELZ-IUCAKERBSA-N 0 0 287.306 3.032 20 10 CGCDRN CCC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)CCC1 ZINC001595378872 980915646 /nfs/dbraw/zinc/91/56/46/980915646.db2.gz MQCJVYQGVVNCDS-LLVKDONJSA-N 0 0 277.364 3.321 20 10 CGCDRN CC(C)C[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727662787 571761690 /nfs/dbraw/zinc/76/16/90/571761690.db2.gz LERBXHQKJCSBMM-CQSZACIVSA-N 0 0 276.424 3.441 20 10 CGCDRN CN(C)c1ccc(CNc2nc3ccccc3[nH]2)cc1 ZINC000082740760 178264152 /nfs/dbraw/zinc/26/41/52/178264152.db2.gz FYWVDVNGBCNEFY-UHFFFAOYSA-N 0 0 266.348 3.241 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC=CCC1 ZINC000028330786 344913585 /nfs/dbraw/zinc/91/35/85/344913585.db2.gz JTTUZBUVTLXDLY-INIZCTEOSA-N 0 0 284.403 3.259 20 10 CGCDRN COc1cccc(CNc2cc(C(F)(F)F)ccn2)c1O ZINC000091479225 345815976 /nfs/dbraw/zinc/81/59/76/345815976.db2.gz ZEMQJVUCNYSTCB-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN Fc1ccc2ncnc(Sc3nccs3)c2c1 ZINC000092621809 345847666 /nfs/dbraw/zinc/84/76/66/345847666.db2.gz PAADGVFFAFYQSC-UHFFFAOYSA-N 0 0 263.322 3.377 20 10 CGCDRN CC(C)c1nsc(N(C)Cc2ccccc2O)n1 ZINC000092689344 345853322 /nfs/dbraw/zinc/85/33/22/345853322.db2.gz COSDOGUZDHDKJN-UHFFFAOYSA-N 0 0 263.366 3.004 20 10 CGCDRN C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273609604 295867606 /nfs/dbraw/zinc/86/76/06/295867606.db2.gz VINAZSRFBBNTPU-IUCAKERBSA-N 0 0 292.206 3.368 20 10 CGCDRN C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000191204547 299297448 /nfs/dbraw/zinc/29/74/48/299297448.db2.gz VSTUCKBPMIIWBK-NEPJUHHUSA-N 0 0 298.377 3.053 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273361937 296126976 /nfs/dbraw/zinc/12/69/76/296126976.db2.gz AORBTUBSZGLQLC-RKDXNWHRSA-N 0 0 291.222 3.300 20 10 CGCDRN CCOc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000020086948 368797607 /nfs/dbraw/zinc/79/76/07/368797607.db2.gz YDEBCMIIGBZERI-UHFFFAOYSA-N 0 0 273.332 3.412 20 10 CGCDRN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000029587894 368897278 /nfs/dbraw/zinc/89/72/78/368897278.db2.gz XGFZJDUCCRMQBC-UHFFFAOYSA-N 0 0 289.310 3.412 20 10 CGCDRN CCCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411540 369219328 /nfs/dbraw/zinc/21/93/28/369219328.db2.gz PKRRAFWWIRJWFE-UHFFFAOYSA-N 0 0 272.186 3.435 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cncs2)c1C ZINC000493667244 244207950 /nfs/dbraw/zinc/20/79/50/244207950.db2.gz YTJRFYUNRPZXLX-BQYQJAHWSA-N 0 0 272.373 3.436 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cncs2)c1 ZINC000493528138 244180895 /nfs/dbraw/zinc/18/08/95/244180895.db2.gz SQUOJAIIDPTHFB-VOTSOKGWSA-N 0 0 258.346 3.128 20 10 CGCDRN CCC(O)(CC)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000112017933 370408908 /nfs/dbraw/zinc/40/89/08/370408908.db2.gz SCQJHFOGDQKGMV-UHFFFAOYSA-N 0 0 292.206 3.340 20 10 CGCDRN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1[O-] ZINC000134789674 371365221 /nfs/dbraw/zinc/36/52/21/371365221.db2.gz PYKIKZBFMMPSMX-AFCVYNCWSA-N 0 0 291.366 3.140 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1[O-] ZINC000134789613 371365236 /nfs/dbraw/zinc/36/52/36/371365236.db2.gz PYKIKZBFMMPSMX-CEFQPYBMSA-N 0 0 291.366 3.140 20 10 CGCDRN Cc1csc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000293783817 372480474 /nfs/dbraw/zinc/48/04/74/372480474.db2.gz WICLPEAPUXDHMZ-UHFFFAOYSA-N 0 0 288.416 3.395 20 10 CGCDRN CC(C)[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171965672 372869889 /nfs/dbraw/zinc/86/98/89/372869889.db2.gz FYKQMHXYBIKRAY-AWEZNQCLSA-N 0 0 274.408 3.195 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccsn1 ZINC000295976744 372981500 /nfs/dbraw/zinc/98/15/00/372981500.db2.gz KVDBVAHFWJWJPQ-UHFFFAOYSA-N 0 0 290.388 3.291 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCCCC1(F)F ZINC000296581589 373184660 /nfs/dbraw/zinc/18/46/60/373184660.db2.gz FNMOJXVMRDSHBX-LBPRGKRZSA-N 0 0 298.333 3.017 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297239929 373260149 /nfs/dbraw/zinc/26/01/49/373260149.db2.gz PTFRPFINLPPNAO-HNNXBMFYSA-N 0 0 282.387 3.469 20 10 CGCDRN Cc1oc(C(C)C)cc1C(=O)NCc1ccc(N)cc1 ZINC000297241641 373261553 /nfs/dbraw/zinc/26/15/53/373261553.db2.gz PVJUIGMYTDUWOT-UHFFFAOYSA-N 0 0 272.348 3.224 20 10 CGCDRN Cc1cc(Cl)cc(CN(C)Cc2nccs2)c1O ZINC000180371611 373994441 /nfs/dbraw/zinc/99/44/41/373994441.db2.gz MGVYLOVDHHHQDZ-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)c(F)c1[O-] ZINC000187733243 375082769 /nfs/dbraw/zinc/08/27/69/375082769.db2.gz XYQAHRZOSFDUBD-XJBSTHHPSA-N 0 0 297.345 3.135 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(F)c(F)c1[O-] ZINC000187805913 375099328 /nfs/dbraw/zinc/09/93/28/375099328.db2.gz SCABKYDYWNTDEN-ZJUUUORDSA-N 0 0 285.334 3.279 20 10 CGCDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cnccn1 ZINC000492990673 375459020 /nfs/dbraw/zinc/45/90/20/375459020.db2.gz GLVMWBZDMDZTLL-AATRIKPKSA-N 0 0 287.750 3.115 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000192882627 375797457 /nfs/dbraw/zinc/79/74/57/375797457.db2.gz ZQYUZVUYSMFOPF-JGVFFNPUSA-N 0 0 278.179 3.121 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ncccc1C ZINC000267442441 378039677 /nfs/dbraw/zinc/03/96/77/378039677.db2.gz CJMZTROAFSIJDC-UHFFFAOYSA-N 0 0 284.359 3.148 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC1 ZINC000266751415 378025587 /nfs/dbraw/zinc/02/55/87/378025587.db2.gz FPDZAHCEADLMSI-UHFFFAOYSA-N 0 0 289.423 3.225 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C(F)(F)C(F)F ZINC000269183667 378195255 /nfs/dbraw/zinc/19/52/55/378195255.db2.gz VBNOJKGJSRCUGC-UHFFFAOYSA-N 0 0 293.260 3.031 20 10 CGCDRN CO[C@H](C)c1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000271724904 378502964 /nfs/dbraw/zinc/50/29/64/378502964.db2.gz YPTFSSRWHGDZIK-GHMZBOCLSA-N 0 0 292.404 3.407 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)c(O)c1C ZINC000273390265 378742975 /nfs/dbraw/zinc/74/29/75/378742975.db2.gz KKTOMMKUAFIGRY-KBPBESRZSA-N 0 0 263.381 3.229 20 10 CGCDRN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cnn1C ZINC000273389067 378744266 /nfs/dbraw/zinc/74/42/66/378744266.db2.gz KHBDWNRUEUDIGO-QWHCGFSZSA-N 0 0 287.407 3.463 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccsc2)c1 ZINC000273409085 378746046 /nfs/dbraw/zinc/74/60/46/378746046.db2.gz PGAWREWCWVVLOV-JTQLQIEISA-N 0 0 291.372 3.091 20 10 CGCDRN C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000273454401 378748899 /nfs/dbraw/zinc/74/88/99/378748899.db2.gz ZOGXMBVHMSOAGK-NSHDSACASA-N 0 0 260.312 3.119 20 10 CGCDRN COc1cc(Cl)cc(CN2CCC=C(F)C2)c1O ZINC000274478453 378838740 /nfs/dbraw/zinc/83/87/40/378838740.db2.gz LTEZYTOBMKUUTM-UHFFFAOYSA-N 0 0 271.719 3.113 20 10 CGCDRN CN(Cc1cccc(Cl)c1)C(=O)C1=CC(=O)CS1 ZINC000731864015 572429973 /nfs/dbraw/zinc/42/99/73/572429973.db2.gz LQKBMJNDYDZEHL-UHFFFAOYSA-N 0 0 281.764 3.379 20 10 CGCDRN COc1ccc(O)c(CN2CCC[C@H]2c2cc(C)on2)c1 ZINC000375014552 379484699 /nfs/dbraw/zinc/48/46/99/379484699.db2.gz AXDSCDHVBLFURU-HNNXBMFYSA-N 0 0 288.347 3.034 20 10 CGCDRN CC[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731864552 572430497 /nfs/dbraw/zinc/43/04/97/572430497.db2.gz WPGRJOYAXFGNTG-NSHDSACASA-N 0 0 275.373 3.377 20 10 CGCDRN Oc1ccccc1CN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000376163431 379524946 /nfs/dbraw/zinc/52/49/46/379524946.db2.gz BIKPHHNYPRONRW-CQSZACIVSA-N 0 0 299.374 3.380 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281275353 379827667 /nfs/dbraw/zinc/82/76/67/379827667.db2.gz YUBOCWSLLVDZAS-VIFPVBQESA-N 0 0 259.271 3.056 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CC(F)(F)F ZINC000282621354 379956969 /nfs/dbraw/zinc/95/69/69/379956969.db2.gz ZXVMDTOGFWGDJM-UHFFFAOYSA-N 0 0 289.297 3.473 20 10 CGCDRN C=Cn1cc(C[N@@H+](CCCC)Cc2ccccc2O)cn1 ZINC000283092646 380032806 /nfs/dbraw/zinc/03/28/06/380032806.db2.gz SEYQWNUTDWMWHG-UHFFFAOYSA-N 0 0 285.391 3.492 20 10 CGCDRN Cc1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)no1 ZINC000284313641 380138914 /nfs/dbraw/zinc/13/89/14/380138914.db2.gz ZKGPYCLPDOTGPF-CYBMUJFWSA-N 0 0 285.391 3.216 20 10 CGCDRN CC[C@H](Nc1c(C)nn(C)c1C)c1ccc(F)cc1O ZINC000286149941 380167762 /nfs/dbraw/zinc/16/77/62/380167762.db2.gz OUESQUBQHSIXMM-ZDUSSCGKSA-N 0 0 277.343 3.445 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(F)cc1[O-] ZINC000286331905 380196843 /nfs/dbraw/zinc/19/68/43/380196843.db2.gz XYTZIYXLXFKASC-OAHLLOKOSA-N 0 0 275.323 3.478 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000285960543 380154671 /nfs/dbraw/zinc/15/46/71/380154671.db2.gz GPEOFQLINZUPHO-ZOWXZIJZSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)c1nncn1C ZINC000286436324 380213884 /nfs/dbraw/zinc/21/38/84/380213884.db2.gz HPNNIXVSKLUYNU-QMMMGPOBSA-N 0 0 282.438 3.422 20 10 CGCDRN CCc1cnc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000093807444 392241243 /nfs/dbraw/zinc/24/12/43/392241243.db2.gz INTPUYRIRYGTKE-UHFFFAOYSA-N 0 0 289.448 3.404 20 10 CGCDRN CS[C@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179189745 392691258 /nfs/dbraw/zinc/69/12/58/392691258.db2.gz AQKKAIRLNPFWQB-CYBMUJFWSA-N 0 0 292.448 3.045 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC(F)(F)F ZINC000348636681 393127248 /nfs/dbraw/zinc/12/72/48/393127248.db2.gz XYGNZSQWPPBKGE-UHFFFAOYSA-N 0 0 284.281 3.055 20 10 CGCDRN CC[C@@H]1C[C@H]1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000281921673 393370754 /nfs/dbraw/zinc/37/07/54/393370754.db2.gz ZBAWUKNITYPFHB-UKRRQHHQSA-N 0 0 283.375 3.017 20 10 CGCDRN Cc1cc(C(=O)NCCCSc2nccs2)c(C)[nH]1 ZINC000733972753 572621356 /nfs/dbraw/zinc/62/13/56/572621356.db2.gz VKKOVMABUCEFMB-UHFFFAOYSA-N 0 0 295.433 3.000 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CCCC(C)(C)C2)cc1OC ZINC000302735766 286248505 /nfs/dbraw/zinc/24/85/05/286248505.db2.gz ZDOSDHUIKXORPB-UHFFFAOYSA-N 0 0 294.351 3.238 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1(C)CCC1 ZINC000349562926 416542097 /nfs/dbraw/zinc/54/20/97/416542097.db2.gz FHJIBGBWXMXCPD-UHFFFAOYSA-N 0 0 299.418 3.476 20 10 CGCDRN C1=CCN(c2ccc(CNc3ccnc(C4CC4)n3)cc2)C1 ZINC000156709463 261129544 /nfs/dbraw/zinc/12/95/44/261129544.db2.gz NIIOVZCUKZWION-UHFFFAOYSA-N 0 0 292.386 3.342 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000158551530 261167154 /nfs/dbraw/zinc/16/71/54/261167154.db2.gz NUZZIVYVMZKWSH-WMLDXEAASA-N 0 0 298.386 3.001 20 10 CGCDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1ccc(N)cc1 ZINC000161685509 261256510 /nfs/dbraw/zinc/25/65/10/261256510.db2.gz PMIHYVLPPBTSNJ-CZUORRHYSA-N 0 0 274.408 3.239 20 10 CGCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)NC1CC1 ZINC000164160724 261342862 /nfs/dbraw/zinc/34/28/62/261342862.db2.gz PBRKJEASCKWWRP-MRVPVSSYSA-N 0 0 284.450 3.200 20 10 CGCDRN CC(C(=O)NCc1ccc(N(C)C)cc1)=C1CCCC1 ZINC000176509285 261655823 /nfs/dbraw/zinc/65/58/23/261655823.db2.gz NNQGBWSUUAJRPT-UHFFFAOYSA-N 0 0 272.392 3.259 20 10 CGCDRN C[C@H](Nc1cnn(CC(F)F)c1)c1ccc(N(C)C)cc1 ZINC000182659304 261946867 /nfs/dbraw/zinc/94/68/67/261946867.db2.gz KRXXVMMJZSWZLX-NSHDSACASA-N 0 0 294.349 3.387 20 10 CGCDRN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185614770 262062550 /nfs/dbraw/zinc/06/25/50/262062550.db2.gz AMEVHZROEQVDNL-STQMWFEESA-N 0 0 283.387 3.227 20 10 CGCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186174659 262082835 /nfs/dbraw/zinc/08/28/35/262082835.db2.gz PYCIWTLVJFVNDS-IAQYHMDHSA-N 0 0 283.387 3.225 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272580181 263007195 /nfs/dbraw/zinc/00/71/95/263007195.db2.gz DYHLTFXZMUXDRY-TXBNAWBVSA-N 0 0 277.364 3.052 20 10 CGCDRN Cc1cc(O)c(CN[C@@H](C2CC2)C(F)(F)F)cc1C ZINC000288481022 263104487 /nfs/dbraw/zinc/10/44/87/263104487.db2.gz PTIZOAIQNGZBGP-ZDUSSCGKSA-N 0 0 273.298 3.440 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000290209058 263115405 /nfs/dbraw/zinc/11/54/05/263115405.db2.gz QJABCBLNSPZBLE-LBPRGKRZSA-N 0 0 289.762 3.311 20 10 CGCDRN CN(C)c1ccc(CN(Cc2cscn2)C2CC2)cc1 ZINC000298685173 263224009 /nfs/dbraw/zinc/22/40/09/263224009.db2.gz BEZOHFGLOCNZRI-UHFFFAOYSA-N 0 0 287.432 3.374 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000376831961 268022448 /nfs/dbraw/zinc/02/24/48/268022448.db2.gz LAVANBLCNHFEFW-NSHDSACASA-N 0 0 251.757 3.278 20 10 CGCDRN COc1cccc2c1CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC000272963633 278029218 /nfs/dbraw/zinc/02/92/18/278029218.db2.gz QPDTYQUWOWNXEZ-UHFFFAOYSA-N 0 0 287.334 3.098 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287730151 288048038 /nfs/dbraw/zinc/04/80/38/288048038.db2.gz PDHRGZPTAJTSCA-UWVGGRQHSA-N 0 0 297.704 3.010 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(F)c(F)c1[O-] ZINC000276939629 328220499 /nfs/dbraw/zinc/22/04/99/328220499.db2.gz PIABTGDJLORSAN-IUCAKERBSA-N 0 0 273.348 3.217 20 10 CGCDRN CC[C@H]([NH2+]CCc1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000285510064 328247911 /nfs/dbraw/zinc/24/79/11/328247911.db2.gz APEYRCHMWCMKPA-HNNXBMFYSA-N 0 0 292.354 3.420 20 10 CGCDRN CC[C@@H](C)NC(=O)COc1ccc2c(c1)c(C)c(C)n2C ZINC000421201629 329805544 /nfs/dbraw/zinc/80/55/44/329805544.db2.gz OWMCESCOKKBNOM-LLVKDONJSA-N 0 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270.307 3.205 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)OC1CCC1 ZINC000496127506 332539625 /nfs/dbraw/zinc/53/96/25/332539625.db2.gz XWBHAMCPXMPTST-UHFFFAOYSA-N 0 0 272.348 3.265 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccc(F)cc2O1 ZINC000173517592 332973157 /nfs/dbraw/zinc/97/31/57/332973157.db2.gz FWDBZCBRFKZDGF-RPTYSRGTSA-N 0 0 298.317 3.048 20 10 CGCDRN Cc1cccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1 ZINC000542356849 333822835 /nfs/dbraw/zinc/82/28/35/333822835.db2.gz WPQHVNZUSULQQR-UHFFFAOYSA-N 0 0 292.342 3.057 20 10 CGCDRN CC(C)(C)c1ccnc(NCc2ccccc2O)n1 ZINC000292787242 519064772 /nfs/dbraw/zinc/06/47/72/519064772.db2.gz NDIIXYYMRQMFDF-UHFFFAOYSA-N 0 0 257.337 3.092 20 10 CGCDRN CC(C)N(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276501276 519591668 /nfs/dbraw/zinc/59/16/68/519591668.db2.gz PLZOBKNQNOONJJ-UHFFFAOYSA-N 0 0 289.423 3.177 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]CCC[C@@H](C)C(=O)[O-])cc1 ZINC000277217377 520905867 /nfs/dbraw/zinc/90/58/67/520905867.db2.gz HOPOYEYQGPQBSC-CQSZACIVSA-N 0 0 292.423 3.123 20 10 CGCDRN CCOc1ccc(O)c(CNc2cn(C)nc2C2CC2)c1 ZINC000291269140 521153657 /nfs/dbraw/zinc/15/36/57/521153657.db2.gz NREJLHTVNCFJRS-UHFFFAOYSA-N 0 0 287.363 3.014 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(F)F ZINC000277022359 521317975 /nfs/dbraw/zinc/31/79/75/521317975.db2.gz CYYCEQGMACUANQ-UHFFFAOYSA-N 0 0 284.350 3.146 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C=C(C)C ZINC000042035157 521318723 /nfs/dbraw/zinc/31/87/23/521318723.db2.gz RWZWDMFAZWWQCH-UHFFFAOYSA-N 0 0 260.381 3.067 20 10 CGCDRN CCN(Cc1ncc(Cl)n1C)c1ccc(OC)cc1 ZINC000299376370 521459575 /nfs/dbraw/zinc/45/95/75/521459575.db2.gz MHFFYPSMLFDRKV-UHFFFAOYSA-N 0 0 279.771 3.109 20 10 CGCDRN CCC(CC)N(CC)C(=O)c1ccc(C)c(O)c1O ZINC000292158481 521548971 /nfs/dbraw/zinc/54/89/71/521548971.db2.gz NLPYBSJREAPQQK-UHFFFAOYSA-N 0 0 265.353 3.057 20 10 CGCDRN CCCN(CCC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000078321568 521638926 /nfs/dbraw/zinc/63/89/26/521638926.db2.gz MRORVGSZIYYSGF-UHFFFAOYSA-N 0 0 277.412 3.084 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C(C)(F)F ZINC000293369207 521688488 /nfs/dbraw/zinc/68/84/88/521688488.db2.gz LYZYSUSFAMZURU-LLVKDONJSA-N 0 0 285.334 3.422 20 10 CGCDRN CN(C)c1ccc(CNc2nc(C(F)(F)F)c[nH]2)cc1 ZINC000290992088 522215738 /nfs/dbraw/zinc/21/57/38/522215738.db2.gz UAQRJTUXKBWIBE-UHFFFAOYSA-N 0 0 284.285 3.107 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(OC)c1O ZINC000280042627 523211854 /nfs/dbraw/zinc/21/18/54/523211854.db2.gz VPLNHSLWYHKVHY-TZMCWYRMSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(F)F ZINC000292882206 524085206 /nfs/dbraw/zinc/08/52/06/524085206.db2.gz VRQFTQQICUXYFP-NSHDSACASA-N 0 0 284.350 3.002 20 10 CGCDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126752725 524332681 /nfs/dbraw/zinc/33/26/81/524332681.db2.gz PSIIVRUCCPCIMX-PBHICJAKSA-N 0 0 299.418 3.051 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(Cl)n2)c(OC)c1 ZINC000131754058 524352720 /nfs/dbraw/zinc/35/27/20/524352720.db2.gz QETSLPGKFUCCRI-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN COc1ccc(N(Cc2ccon2)[C@H](C)C2CC2)cc1 ZINC000077284404 524369233 /nfs/dbraw/zinc/36/92/33/524369233.db2.gz TYWISTCOFUOWSK-GFCCVEGCSA-N 0 0 272.348 3.488 20 10 CGCDRN C[C@@H](CC1CC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000069663118 524428180 /nfs/dbraw/zinc/42/81/80/524428180.db2.gz NAQNPURCXPADBL-VIFPVBQESA-N 0 0 284.197 3.433 20 10 CGCDRN Cc1cc(CN(C)c2ccc(OC(C)C)cc2)ncn1 ZINC000292803556 524667648 /nfs/dbraw/zinc/66/76/48/524667648.db2.gz KYNUADIOMDOEJY-UHFFFAOYSA-N 0 0 271.364 3.209 20 10 CGCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000043570023 524756201 /nfs/dbraw/zinc/75/62/01/524756201.db2.gz MVQOXBDNGMHYSY-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000279173381 525336182 /nfs/dbraw/zinc/33/61/82/525336182.db2.gz UXBDQJLKBWNWPT-JTQLQIEISA-N 0 0 296.392 3.237 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cccnc1 ZINC000062745041 525660996 /nfs/dbraw/zinc/66/09/96/525660996.db2.gz NSVVVCZUSXBFMV-GHMZBOCLSA-N 0 0 260.312 3.338 20 10 CGCDRN COc1cccc(CNc2nc(CC(C)C)ns2)c1O ZINC000274720881 526043565 /nfs/dbraw/zinc/04/35/65/526043565.db2.gz XTABECXJVYOUGQ-UHFFFAOYSA-N 0 0 293.392 3.063 20 10 CGCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(F)F ZINC000293367859 526080856 /nfs/dbraw/zinc/08/08/56/526080856.db2.gz FOBQTRQPXIYQIO-GFCCVEGCSA-N 0 0 296.361 3.194 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290363272 526329032 /nfs/dbraw/zinc/32/90/32/526329032.db2.gz AAVCIAWGKHNISM-HOCLYGCPSA-N 0 0 291.366 3.065 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1ccc3c(c1)OCO3)CC2 ZINC000296668321 526369166 /nfs/dbraw/zinc/36/91/66/526369166.db2.gz FQPNCJXPAJRZOY-GFCCVEGCSA-N 0 0 269.300 3.220 20 10 CGCDRN CCN(C(=O)/C=C/c1cncs1)c1ccc(OC)cc1 ZINC000493596883 535654697 /nfs/dbraw/zinc/65/46/97/535654697.db2.gz LMLAEQNLSPNMNQ-CMDGGOBGSA-N 0 0 288.372 3.218 20 10 CGCDRN COc1ccc(N(Cc2nccn2C)CC(C)C)cc1 ZINC000728173212 571792127 /nfs/dbraw/zinc/79/21/27/571792127.db2.gz QRVQLNGUNBXZBK-UHFFFAOYSA-N 0 0 273.380 3.091 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccnc2)cc1 ZINC000728220216 571796434 /nfs/dbraw/zinc/79/64/34/571796434.db2.gz XRCUGMUFXGBVAH-UHFFFAOYSA-N 0 0 297.402 3.200 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2)c1 ZINC000728939030 571849966 /nfs/dbraw/zinc/84/99/66/571849966.db2.gz WQJLSJJUGSNTNS-LLVKDONJSA-N 0 0 286.331 3.284 20 10 CGCDRN COc1ccc(N(CCc2cnn(C)c2)CC(C)C)cc1 ZINC000740875647 571890751 /nfs/dbraw/zinc/89/07/51/571890751.db2.gz HAAQZXXQOGMNTQ-UHFFFAOYSA-N 0 0 287.407 3.134 20 10 CGCDRN CCN1C(=O)/C(=C\c2ccc(F)cc2C)SC1=S ZINC000750900850 572333424 /nfs/dbraw/zinc/33/34/24/572333424.db2.gz RCMFNESTSFULMU-YRNVUSSQSA-N 0 0 281.377 3.355 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC2CCC2)cc1 ZINC000730583032 572364222 /nfs/dbraw/zinc/36/42/22/572364222.db2.gz HXGUKOBGKLKGNJ-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN Oc1ccc(-c2ccccc2)cc1CNCc1cocn1 ZINC000730819401 572377922 /nfs/dbraw/zinc/37/79/22/572377922.db2.gz VSOVVPFAKWJIEN-UHFFFAOYSA-N 0 0 280.327 3.337 20 10 CGCDRN CCN(CC)c1ccc(C=Cc2n[nH]cc2C=O)cc1F ZINC000739423738 572414124 /nfs/dbraw/zinc/41/41/24/572414124.db2.gz CIKOAJQVGVAKPC-ALCCZGGFSA-N 0 0 287.338 3.378 20 10 CGCDRN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000731452263 572414389 /nfs/dbraw/zinc/41/43/89/572414389.db2.gz RNEYDKCFJNNJOR-INIZCTEOSA-N 0 0 298.342 3.386 20 10 CGCDRN Cc1cccc(CN(C)C(=O)C2=CC(=O)CS2)c1 ZINC000732268322 572456094 /nfs/dbraw/zinc/45/60/94/572456094.db2.gz HTYAJSBNKFACBX-UHFFFAOYSA-N 0 0 261.346 3.034 20 10 CGCDRN Cc1ccccc1C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732274818 572457355 /nfs/dbraw/zinc/45/73/55/572457355.db2.gz UHNXKPYVOSNJDW-LLVKDONJSA-N 0 0 275.373 3.123 20 10 CGCDRN Cc1cccc2c1OCC[C@H]2NC(=O)C1=CC(=O)CS1 ZINC000732280804 572457880 /nfs/dbraw/zinc/45/78/80/572457880.db2.gz JCZUFFWLJUJXDU-GFCCVEGCSA-N 0 0 289.356 3.016 20 10 CGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732286760 572458977 /nfs/dbraw/zinc/45/89/77/572458977.db2.gz JEBZCQPCYVSRAQ-MNOVXSKESA-N 0 0 267.394 3.398 20 10 CGCDRN O=C(NCCCSc1nccs1)c1ccsc1 ZINC000733883797 572609673 /nfs/dbraw/zinc/60/96/73/572609673.db2.gz BXXGMNYQHUNBCH-UHFFFAOYSA-N 0 0 284.431 3.117 20 10 CGCDRN Cn1ccc2ccc(NC(=O)NCc3ccccc3O)cc21 ZINC000743204658 572641815 /nfs/dbraw/zinc/64/18/15/572641815.db2.gz IKZREJCYZCAMGX-UHFFFAOYSA-N 0 0 295.342 3.206 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C=C(C1CC1)C1CC1 ZINC000734406461 572653460 /nfs/dbraw/zinc/65/34/60/572653460.db2.gz XODQSVYAJFJJOP-UHFFFAOYSA-N 0 0 298.430 3.424 20 10 CGCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1=CC(=O)CS1 ZINC000743417803 572658007 /nfs/dbraw/zinc/65/80/07/572658007.db2.gz CYOVISJRCWQLEQ-JFGNBEQYSA-N 0 0 265.378 3.247 20 10 CGCDRN Cc1nc(CNCc2ccc(N(C)C)c(F)c2)sc1C ZINC000743498237 572666492 /nfs/dbraw/zinc/66/64/92/572666492.db2.gz NCTJEGGCBCKPLC-UHFFFAOYSA-N 0 0 293.411 3.255 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CCCC1 ZINC000734687781 572675435 /nfs/dbraw/zinc/67/54/35/572675435.db2.gz APPDBDHVCLEABM-UHFFFAOYSA-N 0 0 289.423 3.145 20 10 CGCDRN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000743719610 572681278 /nfs/dbraw/zinc/68/12/78/572681278.db2.gz KXUDYTJQKVZETN-LBPRGKRZSA-N 0 0 299.370 3.284 20 10 CGCDRN CC[C@@H]1CCCCCN1C(=O)C1=CC(=O)CS1 ZINC000743811892 572685117 /nfs/dbraw/zinc/68/51/17/572685117.db2.gz HMYVFWZQYZWEMI-SNVBAGLBSA-N 0 0 253.367 3.249 20 10 CGCDRN CCN1C(=O)/C(=C\c2cc(C)ccc2F)SC1=S ZINC000734979487 572694536 /nfs/dbraw/zinc/69/45/36/572694536.db2.gz QKUMNUJLTYIISC-YRNVUSSQSA-N 0 0 281.377 3.355 20 10 CGCDRN O=[N+]([O-])c1ccc2ncnc(Sc3nccs3)c2c1 ZINC000735917772 572751763 /nfs/dbraw/zinc/75/17/63/572751763.db2.gz QNIYBRFTYWIUPC-UHFFFAOYSA-N 0 0 290.329 3.146 20 10 CGCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736754839 572808642 /nfs/dbraw/zinc/80/86/42/572808642.db2.gz GZBZQYHKOOUEGD-NWDGAFQWSA-N 0 0 299.370 3.474 20 10 CGCDRN COCCCN(CC(C)C)c1ccc(OC)cc1 ZINC000746169951 572858520 /nfs/dbraw/zinc/85/85/20/572858520.db2.gz ICVDKVTZNNLTAZ-UHFFFAOYSA-N 0 0 251.370 3.194 20 10 CGCDRN Cc1cc(C)c2c(c1)CCCN2C(=O)/C=C/c1cnn(C)c1 ZINC000747309217 572923823 /nfs/dbraw/zinc/92/38/23/572923823.db2.gz OLHKSJVXYXDZTC-VOTSOKGWSA-N 0 0 295.386 3.030 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC12CCCC2 ZINC000747515986 572933612 /nfs/dbraw/zinc/93/36/12/572933612.db2.gz FRQJELSVXDNPEF-MRXNPFEDSA-N 0 0 299.414 3.468 20 10 CGCDRN Oc1ccc(-c2ccccc2)cc1CNCc1ccon1 ZINC000747622125 572937510 /nfs/dbraw/zinc/93/75/10/572937510.db2.gz KNAUZUPSUGAYIL-UHFFFAOYSA-N 0 0 280.327 3.337 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ccccc2O)c1 ZINC000748157777 572963893 /nfs/dbraw/zinc/96/38/93/572963893.db2.gz MUVWKFCPEJYIFN-UHFFFAOYSA-N 0 0 272.373 3.187 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(OCC2CC2)cc1 ZINC000748346575 572974530 /nfs/dbraw/zinc/97/45/30/572974530.db2.gz NOWVUBLAFKCQPI-UHFFFAOYSA-N 0 0 297.354 3.111 20 10 CGCDRN COc1ccc(C)cc1NC(=O)NCc1ccccc1O ZINC000748439094 572976700 /nfs/dbraw/zinc/97/67/00/572976700.db2.gz VCJZOYZWQRYGSS-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN Cc1ccccc1NC(=O)NCc1ccccc1O ZINC000748437903 572976843 /nfs/dbraw/zinc/97/68/43/572976843.db2.gz CHTZJPJJGZXLOW-UHFFFAOYSA-N 0 0 256.305 3.022 20 10 CGCDRN CCN(CCCCCCO)c1ccc(OC)cc1 ZINC000750796601 573179757 /nfs/dbraw/zinc/17/97/57/573179757.db2.gz WNGCEMBONOPBGP-UHFFFAOYSA-N 0 0 251.370 3.074 20 10 CGCDRN O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000036388000 597136127 /nfs/dbraw/zinc/13/61/27/597136127.db2.gz UVSDAPHPWZSKAR-UHFFFAOYSA-N 0 0 291.734 3.034 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000154913123 618831673 /nfs/dbraw/zinc/83/16/73/618831673.db2.gz KCUMRRBJTTUBJF-UHFFFAOYSA-N 0 0 260.303 3.137 20 10 CGCDRN C[C@@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000828271678 601369948 /nfs/dbraw/zinc/36/99/48/601369948.db2.gz KDLXRWYREDPFDJ-LLVKDONJSA-N 0 0 285.343 3.228 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1Cl ZINC000207512792 617865620 /nfs/dbraw/zinc/86/56/20/617865620.db2.gz ZBVTYCHAECZWPS-VURMDHGXSA-N 0 0 289.718 3.403 20 10 CGCDRN COc1ccc(C)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035162152 617620961 /nfs/dbraw/zinc/62/09/61/617620961.db2.gz YAIYVLJFFVFRGK-UHFFFAOYSA-N 0 0 284.403 3.359 20 10 CGCDRN CCCC1(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760277 617817480 /nfs/dbraw/zinc/81/74/80/617817480.db2.gz NAPZBZVOELQGOW-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)C1CCC=CCC1 ZINC000890762751 617819175 /nfs/dbraw/zinc/81/91/75/617819175.db2.gz HPQKDJBLENCCDE-UHFFFAOYSA-N 0 0 279.767 3.408 20 10 CGCDRN CC1(C(=O)NCc2cccc(Cl)c2O)CC(F)(F)C1 ZINC000890763126 617819525 /nfs/dbraw/zinc/81/95/25/617819525.db2.gz NWULORTUFRJMQE-UHFFFAOYSA-N 0 0 289.709 3.097 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)CC(C)(C)C)c1[O-] ZINC000045084764 618020822 /nfs/dbraw/zinc/02/08/22/618020822.db2.gz QYFXYBXKUDRXNC-UHFFFAOYSA-N 0 0 267.344 3.212 20 10 CGCDRN Cc1ccc(CC(=O)Nc2ccc(N)cc2)cc1C ZINC000050226131 618080196 /nfs/dbraw/zinc/08/01/96/618080196.db2.gz YBWZJZWBOQLDAK-UHFFFAOYSA-N 0 0 254.333 3.067 20 10 CGCDRN CCCN(C(=O)NCCCSc1nccs1)C1CC1 ZINC000177854148 618125293 /nfs/dbraw/zinc/12/52/93/618125293.db2.gz IPPQVUACARNUNM-UHFFFAOYSA-N 0 0 299.465 3.209 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000187699364 618135366 /nfs/dbraw/zinc/13/53/66/618135366.db2.gz SZUFXZNNXUGROI-AVGNSLFASA-N 0 0 291.391 3.404 20 10 CGCDRN Cn1c(CSc2nccs2)nnc1-c1ccccc1 ZINC000161035807 618236787 /nfs/dbraw/zinc/23/67/87/618236787.db2.gz BMOQJQXKTLNGLL-UHFFFAOYSA-N 0 0 288.401 3.231 20 10 CGCDRN CCn1c2cc(C)ccc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000190335806 618730202 /nfs/dbraw/zinc/73/02/02/618730202.db2.gz ILTOBOKHWAGYMW-UHFFFAOYSA-N 0 0 298.342 3.451 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000309779332 618768720 /nfs/dbraw/zinc/76/87/20/618768720.db2.gz MNINQNBSAASOFZ-CABZTGNLSA-N 0 0 284.197 3.351 20 10 CGCDRN CCC[C@]1(C)CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179528027 618794826 /nfs/dbraw/zinc/79/48/26/618794826.db2.gz UEEAFKXWSHGLFF-QGZVFWFLSA-N 0 0 291.391 3.449 20 10 CGCDRN CCCN(Cc1cc(F)cc(C(C)=O)c1O)CC(F)F ZINC000177272186 618812317 /nfs/dbraw/zinc/81/23/17/618812317.db2.gz NEVCPFHHCUJUBG-UHFFFAOYSA-N 0 0 289.297 3.211 20 10 CGCDRN CCc1ccccc1NC(=O)c1ccc(C)c(O)c1O ZINC000177667825 618834688 /nfs/dbraw/zinc/83/46/88/618834688.db2.gz YQHUJAPINYQDOT-UHFFFAOYSA-N 0 0 271.316 3.221 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccc([C@H](C)O)n1 ZINC000892564321 618863739 /nfs/dbraw/zinc/86/37/39/618863739.db2.gz QYTVOMJUFGJSHJ-ZDUSSCGKSA-N 0 0 285.391 3.121 20 10 CGCDRN CCc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180588196 619017694 /nfs/dbraw/zinc/01/76/94/619017694.db2.gz SPBCETKKVHBVSE-UXBLZVDNSA-N 0 0 283.327 3.312 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(-c3cccs3)o2)c1 ZINC000186005713 619067077 /nfs/dbraw/zinc/06/70/77/619067077.db2.gz VDRMBEPGDBQKGN-UHFFFAOYSA-N 0 0 287.344 3.424 20 10 CGCDRN C[C@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000072622130 625317523 /nfs/dbraw/zinc/31/75/23/625317523.db2.gz QCAINIKSLYQKGT-SWLSCSKDSA-N 0 0 285.343 3.170 20 10 CGCDRN Cc1cc(O)c(CN(C)[C@@H](C)C(=O)OC(C)C)c(Cl)c1 ZINC000840915874 619131439 /nfs/dbraw/zinc/13/14/39/619131439.db2.gz CNQMTRXLXHFIJO-NSHDSACASA-N 0 0 299.798 3.126 20 10 CGCDRN CCCc1nnc(NCc2cc(C)c(C)cc2O)s1 ZINC000777507549 619158740 /nfs/dbraw/zinc/15/87/40/619158740.db2.gz BCGQSKGSBVRLLT-UHFFFAOYSA-N 0 0 277.393 3.425 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccs1 ZINC000162821507 619218355 /nfs/dbraw/zinc/21/83/55/619218355.db2.gz VXQMZYLGTZFOLU-UHFFFAOYSA-N 0 0 253.754 3.397 20 10 CGCDRN CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(OC)c1O ZINC000228566272 619235362 /nfs/dbraw/zinc/23/53/62/619235362.db2.gz SVTUIZLGUQYUCZ-MFKMUULPSA-N 0 0 299.798 3.054 20 10 CGCDRN COC(=O)C(C)(C)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840948081 619250247 /nfs/dbraw/zinc/25/02/47/619250247.db2.gz LPZBXROHBNGVCN-UHFFFAOYSA-N 0 0 299.798 3.033 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(F)cc1[O-] ZINC000062747803 619282897 /nfs/dbraw/zinc/28/28/97/619282897.db2.gz JLIURNRAMAPIRF-FZMZJTMJSA-N 0 0 287.334 3.186 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000893867027 619324712 /nfs/dbraw/zinc/32/47/12/619324712.db2.gz SOGNZPOHFQEUGP-AWEZNQCLSA-N 0 0 278.302 3.336 20 10 CGCDRN Cc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])o1 ZINC000893894786 619330233 /nfs/dbraw/zinc/33/02/33/619330233.db2.gz FQWOEUXZCWKKIA-UHFFFAOYSA-N 0 0 267.275 3.204 20 10 CGCDRN CCc1cccnc1NCc1cc(C)cc(OC)c1O ZINC000894410510 619524093 /nfs/dbraw/zinc/52/40/93/619524093.db2.gz PRNLMSSMHOQADB-UHFFFAOYSA-N 0 0 272.348 3.279 20 10 CGCDRN CCc1nc(CN[C@H](C)c2cc(F)ccc2O)cs1 ZINC000185397492 625355600 /nfs/dbraw/zinc/35/56/00/625355600.db2.gz KPDXIHGJWSDOCJ-SECBINFHSA-N 0 0 280.368 3.401 20 10 CGCDRN CC[C@H](CSC)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894781274 619633656 /nfs/dbraw/zinc/63/36/56/619633656.db2.gz FKBIINYHSTXZOW-LLVKDONJSA-N 0 0 275.364 3.244 20 10 CGCDRN COc1cc(C)cc(CNC2(C(F)F)CCCC2)c1O ZINC000894786155 619635064 /nfs/dbraw/zinc/63/50/64/619635064.db2.gz GCHJTGUJWVHBNW-UHFFFAOYSA-N 0 0 285.334 3.377 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)NC1CCC(C)CC1 ZINC000048875912 619649388 /nfs/dbraw/zinc/64/93/88/619649388.db2.gz GRNOCTFKGABASG-YVNMAJEFSA-N 0 0 284.450 3.319 20 10 CGCDRN CN(C)c1ccc(CNCc2ccon2)c(C(F)(F)F)c1 ZINC000792999212 619674651 /nfs/dbraw/zinc/67/46/51/619674651.db2.gz DASIHFFXOBDADA-UHFFFAOYSA-N 0 0 299.296 3.049 20 10 CGCDRN CCCO[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841300512 619841772 /nfs/dbraw/zinc/84/17/72/619841772.db2.gz QUXNITZEUWUIEI-OAHLLOKOSA-N 0 0 291.395 3.082 20 10 CGCDRN Nc1ccc(NC(=O)NC[C@H]2CCCC(F)(F)C2)cc1 ZINC000841300572 619842152 /nfs/dbraw/zinc/84/21/52/619842152.db2.gz WNDBWGQLZGEKLG-JTQLQIEISA-N 0 0 283.322 3.216 20 10 CGCDRN CCC(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895586324 619855275 /nfs/dbraw/zinc/85/52/75/619855275.db2.gz SJOMPFCHHXJYHY-UHFFFAOYSA-N 0 0 279.361 3.231 20 10 CGCDRN CC1([NH+]2CCC2)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000895670461 619869321 /nfs/dbraw/zinc/86/93/21/619869321.db2.gz JEQYSUNYFYZNEJ-UHFFFAOYSA-N 0 0 294.826 3.106 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845686 619893669 /nfs/dbraw/zinc/89/36/69/619893669.db2.gz HWNISKVQDZUGFF-RISCZKNCSA-N 0 0 281.783 3.047 20 10 CGCDRN CCCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000896163235 619958673 /nfs/dbraw/zinc/95/86/73/619958673.db2.gz KMZCRMSXEQWCBS-UHFFFAOYSA-N 0 0 291.372 3.327 20 10 CGCDRN [O-]c1c(C[NH2+][C@H](c2ccccn2)C2CC2)ccc(F)c1F ZINC000896608472 620036886 /nfs/dbraw/zinc/03/68/86/620036886.db2.gz GHXXTZYIOORCNM-HNNXBMFYSA-N 0 0 290.313 3.306 20 10 CGCDRN Cc1cc(C[NH2+]Cc2c([O-])cccc2F)cc(C)c1O ZINC000896638530 620041352 /nfs/dbraw/zinc/04/13/52/620041352.db2.gz QXGMLQALAUWLKJ-UHFFFAOYSA-N 0 0 275.323 3.144 20 10 CGCDRN CCOc1ccccc1C[NH2+]Cc1c([O-])cccc1F ZINC000896639103 620041477 /nfs/dbraw/zinc/04/14/77/620041477.db2.gz AJRUXOQFKHPRRG-UHFFFAOYSA-N 0 0 275.323 3.220 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1scnc1C1CC1 ZINC000896638515 620041543 /nfs/dbraw/zinc/04/15/43/620041543.db2.gz VMXHVZYGYWXNMY-UHFFFAOYSA-N 0 0 278.352 3.155 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1nccc2c1CCCC2 ZINC000896641616 620042359 /nfs/dbraw/zinc/04/23/59/620042359.db2.gz NUEANWBQYZBGDC-UHFFFAOYSA-N 0 0 286.350 3.095 20 10 CGCDRN CC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000132437775 620075374 /nfs/dbraw/zinc/07/53/74/620075374.db2.gz JRDSIAPXNLNQCB-UHFFFAOYSA-N 0 0 284.197 3.387 20 10 CGCDRN Cc1cc(O)c(CN2CC(OC(F)F)C2)cc1C(C)C ZINC000797821170 620233313 /nfs/dbraw/zinc/23/33/13/620233313.db2.gz GIMMSGFHYAKTMT-UHFFFAOYSA-N 0 0 285.334 3.247 20 10 CGCDRN C[C@H](CCCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798181478 620247598 /nfs/dbraw/zinc/24/75/98/620247598.db2.gz KLXRXLIBVLVXOX-ZJUUUORDSA-N 0 0 291.313 3.223 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CC2CC2)cc1 ZINC000080070079 620386213 /nfs/dbraw/zinc/38/62/13/620386213.db2.gz MNCYFTSLWMCTFN-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN C[C@H]([NH2+]CCCOC(F)F)c1ccc(Cl)cc1[O-] ZINC000841753772 620390048 /nfs/dbraw/zinc/39/00/48/620390048.db2.gz VZHFHDJQJXDGET-QMMMGPOBSA-N 0 0 279.714 3.326 20 10 CGCDRN C[C@H]1CC2(CC([NH2+]Cc3cc(Cl)cc(F)c3[O-])C2)CO1 ZINC000897778977 620430768 /nfs/dbraw/zinc/43/07/68/620430768.db2.gz LQGZNFGIGULNEH-AAYUTKSQSA-N 0 0 299.773 3.232 20 10 CGCDRN Cc1cccc(CNc2ccc([C@H](C)CC(N)=O)cc2)c1O ZINC000897836675 620437887 /nfs/dbraw/zinc/43/78/87/620437887.db2.gz GAZKAXZDYYLRNQ-CYBMUJFWSA-N 0 0 298.386 3.292 20 10 CGCDRN CCOc1ccc(CNc2cnn(C3CCC3)c2)c(O)c1 ZINC000897875120 620441290 /nfs/dbraw/zinc/44/12/90/620441290.db2.gz AJZTWWUKBSAQBR-UHFFFAOYSA-N 0 0 287.363 3.325 20 10 CGCDRN C[C@@H](Cc1cccnc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000897969501 620459264 /nfs/dbraw/zinc/45/92/64/620459264.db2.gz LCSIRUNLVXGDCK-NSHDSACASA-N 0 0 276.767 3.161 20 10 CGCDRN Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219093 620489666 /nfs/dbraw/zinc/48/96/66/620489666.db2.gz UQLGXFHYHCYTFQ-UHFFFAOYSA-N 0 0 293.798 3.421 20 10 CGCDRN O=C(CSc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000040677197 620543647 /nfs/dbraw/zinc/54/36/47/620543647.db2.gz HQDZNJYNJOJYJG-UHFFFAOYSA-N 0 0 280.330 3.026 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(F)cc1[O-] ZINC000927016056 620561646 /nfs/dbraw/zinc/56/16/46/620561646.db2.gz DXQILBGHDCQTCS-XHDPSFHLSA-N 0 0 267.344 3.141 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(F)cc1[O-] ZINC000927016052 620561738 /nfs/dbraw/zinc/56/17/38/620561738.db2.gz DXQILBGHDCQTCS-IAQYHMDHSA-N 0 0 267.344 3.141 20 10 CGCDRN CCc1onc(C)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000927140673 620600608 /nfs/dbraw/zinc/60/06/08/620600608.db2.gz SVKFMEFHOFEAQG-MRVPVSSYSA-N 0 0 296.317 3.380 20 10 CGCDRN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000898788346 620605072 /nfs/dbraw/zinc/60/50/72/620605072.db2.gz MVKVJJSKARTQON-SNVBAGLBSA-N 0 0 291.372 3.231 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC/C=C\Cl ZINC000899052777 620617834 /nfs/dbraw/zinc/61/78/34/620617834.db2.gz MOTGXUSKNRAQPJ-YVMONPNESA-N 0 0 282.771 3.066 20 10 CGCDRN CCC[C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000899203577 620625485 /nfs/dbraw/zinc/62/54/85/620625485.db2.gz PQKFZBLZJVVNNG-LLVKDONJSA-N 0 0 290.367 3.405 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1c([O-])cccc1F ZINC000903386995 621727287 /nfs/dbraw/zinc/72/72/87/621727287.db2.gz FEUFYLJYTKKLST-SMDDNHRTSA-N 0 0 279.355 3.284 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(Cl)c1[O-] ZINC000903408306 621731821 /nfs/dbraw/zinc/73/18/21/621731821.db2.gz RVLSIBDODBDNNO-KGLIPLIRSA-N 0 0 283.799 3.247 20 10 CGCDRN C/C(=C/c1ccc(N(C)C)cc1C)c1ncccn1 ZINC000905076954 622037700 /nfs/dbraw/zinc/03/77/00/622037700.db2.gz OTMYSPZWWNBJCF-RAXLEYEMSA-N 0 0 253.349 3.412 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(C3CC3)CCC2)cc1F ZINC000906453843 622238829 /nfs/dbraw/zinc/23/88/29/622238829.db2.gz MLYIFCQJFDKVOW-UHFFFAOYSA-N 0 0 290.382 3.088 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1 ZINC000027578694 622375681 /nfs/dbraw/zinc/37/56/81/622375681.db2.gz WPDFNENLDQQLCM-UHFFFAOYSA-N 0 0 296.370 3.087 20 10 CGCDRN Cc1oc(C(C)C)cc1C(=O)NCc1ccc(O)cc1O ZINC000910946993 622511521 /nfs/dbraw/zinc/51/15/21/622511521.db2.gz YJPIWEQFHBELKI-UHFFFAOYSA-N 0 0 289.331 3.053 20 10 CGCDRN CCOc1ccc(N(C)CC(=O)N(C)c2ccccc2)cc1 ZINC000150731675 622657900 /nfs/dbraw/zinc/65/79/00/622657900.db2.gz VRVSNWZVXULABX-UHFFFAOYSA-N 0 0 298.386 3.185 20 10 CGCDRN CCN(C(=O)c1cccc2c1CCN2)c1cccc(OC)c1 ZINC000912498427 622669398 /nfs/dbraw/zinc/66/93/98/622669398.db2.gz OCAZBMSBRJGNNT-UHFFFAOYSA-N 0 0 296.370 3.330 20 10 CGCDRN CCOC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164078689 622813640 /nfs/dbraw/zinc/81/36/40/622813640.db2.gz SJZLQAFXFMOVNN-UHFFFAOYSA-N 0 0 259.396 3.096 20 10 CGCDRN COC(=O)c1cccc(NCc2cccc(C)c2O)c1C ZINC000164976887 622852615 /nfs/dbraw/zinc/85/26/15/622852615.db2.gz YUNHRDLRSKDICD-UHFFFAOYSA-N 0 0 285.343 3.408 20 10 CGCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226586159 622986767 /nfs/dbraw/zinc/98/67/67/622986767.db2.gz ZYSRMCJGTQHPRD-VXGBXAGGSA-N 0 0 251.345 3.447 20 10 CGCDRN Cc1cccc(CNc2cccc(-n3cccn3)c2)c1O ZINC000158019401 622993130 /nfs/dbraw/zinc/99/31/30/622993130.db2.gz NXRGDYAPQJIHEB-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN CN(C)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCCC1 ZINC000158064816 622994032 /nfs/dbraw/zinc/99/40/32/622994032.db2.gz BAKDUUYAPLTUCR-UHFFFAOYSA-N 0 0 296.842 3.400 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCC1CCCC1 ZINC000046872600 623014377 /nfs/dbraw/zinc/01/43/77/623014377.db2.gz ZAIQKJACJAWDJD-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN Cc1cnc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229407893 623128664 /nfs/dbraw/zinc/12/86/64/623128664.db2.gz ITVXEIYGMFQZQH-OLZOCXBDSA-N 0 0 273.380 3.461 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc(F)c1 ZINC000171429960 623159628 /nfs/dbraw/zinc/15/96/28/623159628.db2.gz TUADQSFIABIEAW-VOTSOKGWSA-N 0 0 288.297 3.426 20 10 CGCDRN C[C@H]([NH2+]Cc1cccs1)c1ccc(F)cc1[O-] ZINC000062745082 623264573 /nfs/dbraw/zinc/26/45/73/623264573.db2.gz TZJSDZGPWPRJAN-VIFPVBQESA-N 0 0 251.326 3.444 20 10 CGCDRN Cc1cc(O)c([C@@H]2NC(=O)c3cccc(C)c3N2)cc1C ZINC000172854026 623287495 /nfs/dbraw/zinc/28/74/95/623287495.db2.gz ODBLYFSZSMVJQI-INIZCTEOSA-N 0 0 282.343 3.172 20 10 CGCDRN COC(=O)[C@H](Sc1nccs1)c1ccccc1F ZINC000172919663 623292942 /nfs/dbraw/zinc/29/29/42/623292942.db2.gz OKRXEBGWYPYIGQ-SNVBAGLBSA-N 0 0 283.349 3.289 20 10 CGCDRN OCCCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000173244670 623314254 /nfs/dbraw/zinc/31/42/54/623314254.db2.gz FXKVJGLSWGXHFP-UHFFFAOYSA-N 0 0 285.334 3.203 20 10 CGCDRN C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccccc2O)C1 ZINC000152404127 623652687 /nfs/dbraw/zinc/65/26/87/623652687.db2.gz ZBHLKDFZKVIBMJ-SUMWQHHRSA-N 0 0 277.408 3.059 20 10 CGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000225517393 623801248 /nfs/dbraw/zinc/80/12/48/623801248.db2.gz UCSVOPQBAWTDKG-XOKHGSTOSA-N 0 0 286.419 3.239 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CSC(C)C ZINC000914462446 623805166 /nfs/dbraw/zinc/80/51/66/623805166.db2.gz QLXDUWOXODDSNH-UHFFFAOYSA-N 0 0 294.464 3.243 20 10 CGCDRN Oc1cc2c(cc1CNc1cccc3ncccc31)OCO2 ZINC000238141242 624000403 /nfs/dbraw/zinc/00/04/03/624000403.db2.gz TZCOJGCQSKLDDH-UHFFFAOYSA-N 0 0 294.310 3.281 20 10 CGCDRN CN(C)C(=O)OCSc1ncc(C(C)(C)C)s1 ZINC000917216694 624251648 /nfs/dbraw/zinc/25/16/48/624251648.db2.gz CDXFMICHOAZEEF-UHFFFAOYSA-N 0 0 274.411 3.188 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000917311233 624258895 /nfs/dbraw/zinc/25/88/95/624258895.db2.gz WMXVAWIKHUHZOS-UHFFFAOYSA-N 0 0 298.317 3.285 20 10 CGCDRN C[C@H]1CC[C@H](C)N1C(=O)NCCCSc1nccs1 ZINC000154608639 624325715 /nfs/dbraw/zinc/32/57/15/624325715.db2.gz PZSYTLOVMCCMDJ-QWRGUYRKSA-N 0 0 299.465 3.208 20 10 CGCDRN CC(=O)[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000919566199 624412113 /nfs/dbraw/zinc/41/21/13/624412113.db2.gz OACXIDBBOHVESY-LBPRGKRZSA-N 0 0 291.372 3.290 20 10 CGCDRN Cc1cc(C(=O)NCC2(C)CCC2)c(C)n1-c1ccccn1 ZINC000175117211 624613940 /nfs/dbraw/zinc/61/39/40/624613940.db2.gz CKWXCVXZTNLZBM-UHFFFAOYSA-N 0 0 297.402 3.409 20 10 CGCDRN COCc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000180759202 624769179 /nfs/dbraw/zinc/76/91/79/624769179.db2.gz USPCFVRKPNFHCO-UHFFFAOYSA-N 0 0 285.343 3.198 20 10 CGCDRN COc1cc(O)c(CNc2cccc(C#N)c2C)cc1OC ZINC000181450867 624860498 /nfs/dbraw/zinc/86/04/98/624860498.db2.gz IOWPCPIREYMDQR-UHFFFAOYSA-N 0 0 298.342 3.202 20 10 CGCDRN CC[C@]1(C)CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182524996 625010419 /nfs/dbraw/zinc/01/04/19/625010419.db2.gz HCRSKNBSGNCHOM-MRXNPFEDSA-N 0 0 277.364 3.059 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000184847643 625277659 /nfs/dbraw/zinc/27/76/59/625277659.db2.gz YPTBVSPUXVXZKY-CYBMUJFWSA-N 0 0 294.414 3.446 20 10 CGCDRN CCCn1cc(N[C@@H](C)c2cc(F)ccc2O)cn1 ZINC000186340211 625790898 /nfs/dbraw/zinc/79/08/98/625790898.db2.gz PPROPPQSPPRBRV-JTQLQIEISA-N 0 0 263.316 3.311 20 10 CGCDRN CCCn1cc(N[C@@H](C)c2ccc(C)cc2O)cn1 ZINC000186340034 625790994 /nfs/dbraw/zinc/79/09/94/625790994.db2.gz NVGKHKSSHHZDSM-LBPRGKRZSA-N 0 0 259.353 3.480 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cnn(CC3CC3)c2)c(O)c1 ZINC000186358590 625796555 /nfs/dbraw/zinc/79/65/55/625796555.db2.gz JAQBRBDFGHVDTA-LBPRGKRZSA-N 0 0 271.364 3.480 20 10 CGCDRN CCc1cnc(CNCc2ccc3c(c2)CCCO3)s1 ZINC000921794774 625877671 /nfs/dbraw/zinc/87/76/71/625877671.db2.gz ZMAZIDMVLCZSLL-UHFFFAOYSA-N 0 0 288.416 3.320 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756355591 625899107 /nfs/dbraw/zinc/89/91/07/625899107.db2.gz SSYFHILCRJGSEF-SNVBAGLBSA-N 0 0 290.294 3.290 20 10 CGCDRN CC(F)(F)CCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000922545937 626011364 /nfs/dbraw/zinc/01/13/64/626011364.db2.gz VIESXLJGALEHMY-GQCTYLIASA-N 0 0 286.274 3.090 20 10 CGCDRN COc1ccc(CN[C@H](c2ncccn2)C2CC2)cc1C ZINC000922581801 626016030 /nfs/dbraw/zinc/01/60/30/626016030.db2.gz VYNCFCDVNJGYAJ-INIZCTEOSA-N 0 0 283.375 3.035 20 10 CGCDRN CCOc1ccc(N(CC)CCC2(O)CCC2)cc1 ZINC000839514922 626355582 /nfs/dbraw/zinc/35/55/82/626355582.db2.gz NGFAGHKRQVTNMG-UHFFFAOYSA-N 0 0 263.381 3.217 20 10 CGCDRN Cc1ccc(C(=O)NC2(c3ccccc3)CCC2)c(O)c1O ZINC000751534555 626394980 /nfs/dbraw/zinc/39/49/80/626394980.db2.gz IVFSIBDNJKIVNR-UHFFFAOYSA-N 0 0 297.354 3.215 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1cccc(OC)c1 ZINC000754089095 626475019 /nfs/dbraw/zinc/47/50/19/626475019.db2.gz WKBUTOJUUXSZLP-ZHACJKMWSA-N 0 0 296.370 3.465 20 10 CGCDRN C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756378542 626698756 /nfs/dbraw/zinc/69/87/56/626698756.db2.gz GJHPENPVLHISRT-QWRGUYRKSA-N 0 0 290.319 3.175 20 10 CGCDRN CCOCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756424267 626705198 /nfs/dbraw/zinc/70/51/98/626705198.db2.gz RXKLYSZNYNGODB-JTQLQIEISA-N 0 0 273.323 3.138 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756531993 626712484 /nfs/dbraw/zinc/71/24/84/626712484.db2.gz CKWOUDDDXOJDNE-AAEUAGOBSA-N 0 0 298.342 3.291 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756588110 626718686 /nfs/dbraw/zinc/71/86/86/626718686.db2.gz FGRZQTHERZMPJR-KOLCDFICSA-N 0 0 287.350 3.118 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756619728 626721129 /nfs/dbraw/zinc/72/11/29/626721129.db2.gz XYLIJSOTJYPPCJ-QWRGUYRKSA-N 0 0 287.350 3.120 20 10 CGCDRN CN(CCc1cccs1)c1ccc2c(c1)OCO2 ZINC000756647227 626724242 /nfs/dbraw/zinc/72/42/42/626724242.db2.gz ZFXGEWKNOYTETI-UHFFFAOYSA-N 0 0 261.346 3.156 20 10 CGCDRN CN(Cc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000756654775 626724589 /nfs/dbraw/zinc/72/45/89/626724589.db2.gz MNGAKWDNRKSXIV-UHFFFAOYSA-N 0 0 259.280 3.191 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756656376 626725126 /nfs/dbraw/zinc/72/51/26/626725126.db2.gz WQLCXNYWYUHTDC-NXEZZACHSA-N 0 0 285.334 3.136 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000756778928 626731381 /nfs/dbraw/zinc/73/13/81/626731381.db2.gz GRAKZABBUSZUKJ-YPMHNXCESA-N 0 0 291.391 3.408 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000756790720 626732510 /nfs/dbraw/zinc/73/25/10/626732510.db2.gz OPUQDHILERUJHP-ZMRCNFHJSA-N 0 0 281.371 3.241 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756790382 626732722 /nfs/dbraw/zinc/73/27/22/626732722.db2.gz NBKJVVSIUULLGM-WUEYEGCSSA-N 0 0 299.361 3.381 20 10 CGCDRN C[C@@H]([NH2+]C1(C2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756840592 626736611 /nfs/dbraw/zinc/73/66/11/626736611.db2.gz YGNVLEFPXIRPBK-MRVPVSSYSA-N 0 0 253.292 3.264 20 10 CGCDRN COc1ccc(N[C@H](C)c2ccc(F)cc2O)nc1 ZINC000756843395 626737480 /nfs/dbraw/zinc/73/74/80/626737480.db2.gz DUNLHNXOEOHHIO-SECBINFHSA-N 0 0 262.284 3.108 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000124802433 634513918 /nfs/dbraw/zinc/51/39/18/634513918.db2.gz KNCQTLDOCOFIJN-CYBMUJFWSA-N 0 0 273.763 3.475 20 10 CGCDRN CCCCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103507519 626763867 /nfs/dbraw/zinc/76/38/67/626763867.db2.gz JBEKBNNMLDDAGH-LBPRGKRZSA-N 0 0 294.395 3.341 20 10 CGCDRN CCCCN(Cc1ccccc1O)[C@H](C)c1nnc(C)[nH]1 ZINC000839594052 626763992 /nfs/dbraw/zinc/76/39/92/626763992.db2.gz PXOTXYHKVPLWOM-GFCCVEGCSA-N 0 0 288.395 3.182 20 10 CGCDRN C[C@]1(C(=O)NCc2ccccc2O)C[C@@H]1c1ccccc1 ZINC000839612039 626769675 /nfs/dbraw/zinc/76/96/75/626769675.db2.gz MLUWNSVEUCPJRS-QAPCUYQASA-N 0 0 281.355 3.202 20 10 CGCDRN CCOc1ncccc1NCc1cccc(Cl)c1O ZINC000124862191 634522140 /nfs/dbraw/zinc/52/21/40/634522140.db2.gz KZJDLSHJKKZPQX-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN CCC[C@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000103528957 626778365 /nfs/dbraw/zinc/77/83/65/626778365.db2.gz TYUIJHQFQPYFDS-NWDGAFQWSA-N 0 0 279.380 3.404 20 10 CGCDRN Cc1nnc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000757637213 626796549 /nfs/dbraw/zinc/79/65/49/626796549.db2.gz GJDFLDVKBSJNEQ-XVKPBYJWSA-N 0 0 293.367 3.029 20 10 CGCDRN CN(C)c1ccc(OCCOc2ccc(F)cc2)cc1 ZINC000757705778 626802563 /nfs/dbraw/zinc/80/25/63/626802563.db2.gz XXPXKSQMWCLUDB-UHFFFAOYSA-N 0 0 275.323 3.350 20 10 CGCDRN CC1(C)CN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000757774269 626807340 /nfs/dbraw/zinc/80/73/40/626807340.db2.gz XDRNDLBGQIPUMU-KTKRTIGZSA-N 0 0 278.355 3.419 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)cs2)cc1 ZINC000757794904 626808152 /nfs/dbraw/zinc/80/81/52/626808152.db2.gz ZAHPNVRLDDFAAQ-UHFFFAOYSA-N 0 0 294.807 3.398 20 10 CGCDRN CCCCOC(=O)[C@H](C)N(C)c1ccc(OC)c(F)c1 ZINC000757851619 626810428 /nfs/dbraw/zinc/81/04/28/626810428.db2.gz BVMHRMANLCHGMS-NSHDSACASA-N 0 0 283.343 3.002 20 10 CGCDRN COc1ccc(N(C)CCc2cccnc2)cc1Cl ZINC000757855747 626810721 /nfs/dbraw/zinc/81/07/21/626810721.db2.gz IERVTOTUQHPQRV-UHFFFAOYSA-N 0 0 276.767 3.423 20 10 CGCDRN CC[C@H]([NH2+]CC(C)(C)CCO)c1cccc(Cl)c1[O-] ZINC000806141782 626820705 /nfs/dbraw/zinc/82/07/05/626820705.db2.gz LZQLSGAZTZFCOW-ZDUSSCGKSA-N 0 0 285.815 3.495 20 10 CGCDRN CN(C)c1ccc(-c2nc3cnccc3s2)cc1 ZINC000758453408 626844493 /nfs/dbraw/zinc/84/44/93/626844493.db2.gz IAHQFQBEDORRPX-UHFFFAOYSA-N 0 0 255.346 3.424 20 10 CGCDRN CC[C@H](OC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000758556019 626848780 /nfs/dbraw/zinc/84/87/80/626848780.db2.gz CHHDWYSPBXGTBC-AWEZNQCLSA-N 0 0 272.300 3.406 20 10 CGCDRN 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/nfs/dbraw/zinc/42/98/86/629429886.db2.gz DKBQBGGEGYXRSK-UHFFFAOYSA-N 0 0 263.381 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Cc2c(C)cc(C)cc2C)c1 ZINC000862757064 629429956 /nfs/dbraw/zinc/42/99/56/629429956.db2.gz GEAGYSZFFVXMMB-UHFFFAOYSA-N 0 0 297.398 3.485 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C(C)C)nc2C)c1 ZINC000862755031 629430165 /nfs/dbraw/zinc/43/01/65/629430165.db2.gz NLYDYZUNWGKVFQ-UHFFFAOYSA-N 0 0 298.386 3.457 20 10 CGCDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C2CC2)O1 ZINC000793219890 629430572 /nfs/dbraw/zinc/43/05/72/629430572.db2.gz PJMUCRVACHITAB-BONVTDFDSA-N 0 0 281.783 3.045 20 10 CGCDRN Cc1ccc(O[C@@H](C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761821 629431330 /nfs/dbraw/zinc/43/13/30/629431330.db2.gz YSGNOAGUQOFAAL-AWEZNQCLSA-N 0 0 299.370 3.093 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc3c(c2)CCC3)c1 ZINC000862761786 629431702 /nfs/dbraw/zinc/43/17/02/629431702.db2.gz XUXJZLUYJBMRBH-UHFFFAOYSA-N 0 0 295.382 3.048 20 10 CGCDRN CN(C)c1ccc(CNC(C)(C)C(F)F)cc1F ZINC000793253624 629435912 /nfs/dbraw/zinc/43/59/12/629435912.db2.gz CPUYIWBQBXHJRO-UHFFFAOYSA-N 0 0 260.303 3.025 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ncccc1O ZINC000793258132 629436860 /nfs/dbraw/zinc/43/68/60/629436860.db2.gz HBABSQDBSDVCRB-UHFFFAOYSA-N 0 0 299.157 3.089 20 10 CGCDRN CN(Cc1cnc(C(C)(C)C)nc1)c1ccc2c(c1)OCO2 ZINC000793585494 629487211 /nfs/dbraw/zinc/48/72/11/629487211.db2.gz BVSIAWCTALQUCP-UHFFFAOYSA-N 0 0 299.374 3.139 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000793607867 629490076 /nfs/dbraw/zinc/49/00/76/629490076.db2.gz DLYCRFMGMJFKFV-UONOGXRCSA-N 0 0 299.773 3.328 20 10 CGCDRN COc1ccc(CNC(=O)C2CCCCCCC2)c(O)c1 ZINC000794383983 629538571 /nfs/dbraw/zinc/53/85/71/629538571.db2.gz VEEJIWDYVMGXQY-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(OC)cc2O)CC1 ZINC000794391461 629539238 /nfs/dbraw/zinc/53/92/38/629539238.db2.gz XSJGFJAEXCKGOD-JOCQHMNTSA-N 0 0 291.391 3.233 20 10 CGCDRN CCOc1ccc(CNc2ncccc2Cl)c(O)c1 ZINC000795805122 629717876 /nfs/dbraw/zinc/71/78/76/629717876.db2.gz CHVOKRLMJVVSGO-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cccc(-n3nccn3)c2)c(O)c1 ZINC000864022718 629729402 /nfs/dbraw/zinc/72/94/02/629729402.db2.gz MNEOYWPFFNZUGC-ZDUSSCGKSA-N 0 0 294.358 3.454 20 10 CGCDRN COc1cc(NC(=O)C2=CC(=O)CS2)c(C)cc1C ZINC000796325099 629764765 /nfs/dbraw/zinc/76/47/65/629764765.db2.gz MNPUGNQTEWEHIN-UHFFFAOYSA-N 0 0 277.345 3.331 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(F)cc1[O-] ZINC000796699860 629816765 /nfs/dbraw/zinc/81/67/65/629816765.db2.gz BCBUZCRWASSMFH-MRXNPFEDSA-N 0 0 289.350 3.265 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000796703403 629817661 /nfs/dbraw/zinc/81/76/61/629817661.db2.gz UINOOERPLQRXSF-XJKSGUPXSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000796931205 629859886 /nfs/dbraw/zinc/85/98/86/629859886.db2.gz ODDZVTGJFIAXLO-HUBLWGQQSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccnc1F)c1ccc(F)cc1[O-] ZINC000796975053 629868048 /nfs/dbraw/zinc/86/80/48/629868048.db2.gz LYYABZRFIGFFAS-CYBMUJFWSA-N 0 0 278.302 3.306 20 10 CGCDRN CCc1occc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000797494719 629953188 /nfs/dbraw/zinc/95/31/88/629953188.db2.gz CAGQFWQIEFBATK-LBPRGKRZSA-N 0 0 286.375 3.399 20 10 CGCDRN Cc1cc(C(=O)NCCF)c(C)n1-c1cc(C)cc(C)c1 ZINC000798060779 630018511 /nfs/dbraw/zinc/01/85/11/630018511.db2.gz ZNPZBLXVOIFDRG-UHFFFAOYSA-N 0 0 288.366 3.410 20 10 CGCDRN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)C1=CC(=O)CS1 ZINC000798121610 630024993 /nfs/dbraw/zinc/02/49/93/630024993.db2.gz AQTYCWOIYCQUPF-LDYMZIIASA-N 0 0 295.310 3.018 20 10 CGCDRN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)C1=CC(=O)CS1 ZINC000798121682 630025156 /nfs/dbraw/zinc/02/51/56/630025156.db2.gz DNEHFSACMFCRIH-UMSPYCQHSA-N 0 0 291.347 3.269 20 10 CGCDRN CCC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000798121562 630025173 /nfs/dbraw/zinc/02/51/73/630025173.db2.gz YGZFJJAPUIEMSN-UHFFFAOYSA-N 0 0 285.343 3.230 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2ccsc2)c1O ZINC000120478619 630041569 /nfs/dbraw/zinc/04/15/69/630041569.db2.gz FMLYPMKARIFAHZ-UHFFFAOYSA-N 0 0 263.362 3.094 20 10 CGCDRN Cc1cc(O)c(CNc2nnc([C@@H]3C[C@@H]3C)o2)cc1C ZINC000865295126 630057816 /nfs/dbraw/zinc/05/78/16/630057816.db2.gz ZEMXXNYVZTXCTI-CMPLNLGQSA-N 0 0 273.336 3.128 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798937724 630127663 /nfs/dbraw/zinc/12/76/63/630127663.db2.gz OZLWJOAAWCFYJU-WOPDTQHZSA-N 0 0 278.352 3.387 20 10 CGCDRN CC(=O)c1cccc(NCc2ccc(N(C)C)cc2C)n1 ZINC000865542390 630177237 /nfs/dbraw/zinc/17/72/37/630177237.db2.gz OUNJOMNFFHMPLI-UHFFFAOYSA-N 0 0 283.375 3.271 20 10 CGCDRN CCOc1ccc(CN2CCCC[C@H]2C(F)F)c(O)c1 ZINC000800533122 630291512 /nfs/dbraw/zinc/29/15/12/630291512.db2.gz HMLZKWSZKFOKMC-ZDUSSCGKSA-N 0 0 285.334 3.411 20 10 CGCDRN CCCCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839912663 630294254 /nfs/dbraw/zinc/29/42/54/630294254.db2.gz GIYNPSKCBAQHRI-CQSZACIVSA-N 0 0 276.424 3.298 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1=CCC(C)(C)CC1 ZINC000836761960 634798385 /nfs/dbraw/zinc/79/83/85/634798385.db2.gz IIZWTEDLOWBLPG-UHFFFAOYSA-N 0 0 273.376 3.487 20 10 CGCDRN COc1cccc(CNc2ccc(OC(F)F)nc2)c1O ZINC000801739754 630354155 /nfs/dbraw/zinc/35/41/55/630354155.db2.gz SUCDVAWCOJITHC-UHFFFAOYSA-N 0 0 296.273 3.009 20 10 CGCDRN CC[C@H](CCO)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806144949 630548378 /nfs/dbraw/zinc/54/83/78/630548378.db2.gz YQOMRCIBMDLGSX-BXUZGUMPSA-N 0 0 285.815 3.495 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cocn1)c1cccc(Cl)c1[O-] ZINC000806152996 630550026 /nfs/dbraw/zinc/55/00/26/630550026.db2.gz HDPMHZPZJNIMPE-GFCCVEGCSA-N 0 0 266.728 3.275 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cccc(Cl)c1[O-] ZINC000806161240 630551877 /nfs/dbraw/zinc/55/18/77/630551877.db2.gz IIFBYYKTCNOSSA-LDYMZIIASA-N 0 0 293.741 3.102 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1oc(C)cc1C ZINC000808093052 630622169 /nfs/dbraw/zinc/62/21/69/630622169.db2.gz FWSRHAXNKZKOBT-UHFFFAOYSA-N 0 0 294.347 3.018 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCCCCCC1 ZINC000836924170 634829845 /nfs/dbraw/zinc/82/98/45/634829845.db2.gz AZSAIJLPAIBADM-CSKARUKUSA-N 0 0 289.375 3.294 20 10 CGCDRN CCN(Cc1cncc(OC)c1)c1ccc(OC)cc1 ZINC000808734545 630673842 /nfs/dbraw/zinc/67/38/42/630673842.db2.gz BMSFNGKPJCIWOZ-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CCOc1ccc(CNc2cccc3c2COC3=O)c(O)c1 ZINC000809791604 630810722 /nfs/dbraw/zinc/81/07/22/630810722.db2.gz QAECTLLHGGXNRS-UHFFFAOYSA-N 0 0 299.326 3.073 20 10 CGCDRN CC(C)N(C)C[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000810163544 630849104 /nfs/dbraw/zinc/84/91/04/630849104.db2.gz YIVTWIYLZHFZNS-JTQLQIEISA-N 0 0 288.794 3.003 20 10 CGCDRN CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000810262714 630862594 /nfs/dbraw/zinc/86/25/94/630862594.db2.gz WAMAVIXRDRBSJM-OLZOCXBDSA-N 0 0 282.403 3.302 20 10 CGCDRN CCn1nccc1CN1CCCCc2cc(OC)ccc21 ZINC000811508223 631076891 /nfs/dbraw/zinc/07/68/91/631076891.db2.gz GZWDFSGQBNNISW-UHFFFAOYSA-N 0 0 285.391 3.255 20 10 CGCDRN CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000811515972 631082449 /nfs/dbraw/zinc/08/24/49/631082449.db2.gz OIOIQSFXXQDNOL-SNVBAGLBSA-N 0 0 288.794 3.003 20 10 CGCDRN Oc1ccc2c(c1CNc1ncccc1F)CCCC2 ZINC000811808227 631121767 /nfs/dbraw/zinc/12/17/67/631121767.db2.gz AFRVJYSWDDMRNJ-UHFFFAOYSA-N 0 0 272.323 3.417 20 10 CGCDRN CCN(CC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000812314539 631237734 /nfs/dbraw/zinc/23/77/34/631237734.db2.gz HBPRQMKGVSYFHB-UHFFFAOYSA-N 0 0 291.439 3.330 20 10 CGCDRN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H](C)OC ZINC000812807980 631317014 /nfs/dbraw/zinc/31/70/14/631317014.db2.gz NQMKXVKMADDYOH-SECBINFHSA-N 0 0 275.751 3.042 20 10 CGCDRN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000840276739 631339291 /nfs/dbraw/zinc/33/92/91/631339291.db2.gz NILJRNJCEVKWGZ-KGLIPLIRSA-N 0 0 290.407 3.406 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000876527627 634851211 /nfs/dbraw/zinc/85/12/11/634851211.db2.gz CKGHWBSSXXWVQB-HOCLYGCPSA-N 0 0 274.408 3.144 20 10 CGCDRN CC[C@@H]1CC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000814179015 631540422 /nfs/dbraw/zinc/54/04/22/631540422.db2.gz MYYIKNXJXONFEO-LLVKDONJSA-N 0 0 284.197 3.447 20 10 CGCDRN CC(C)(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000815162746 631734021 /nfs/dbraw/zinc/73/40/21/631734021.db2.gz IRSIFBMHLPHMSD-UHFFFAOYSA-N 0 0 278.352 3.216 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815565341 631797083 /nfs/dbraw/zinc/79/70/83/631797083.db2.gz LETMAGLCEUOOBQ-NXEZZACHSA-N 0 0 289.297 3.098 20 10 CGCDRN CCn1cc(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816512910 631997798 /nfs/dbraw/zinc/99/77/98/631997798.db2.gz ZFDPXFSBFAPGAX-UHFFFAOYSA-N 0 0 297.761 3.033 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000816520688 632002531 /nfs/dbraw/zinc/00/25/31/632002531.db2.gz VPSSOJIKSDLCGT-QMTHXVAHSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000816516420 632003277 /nfs/dbraw/zinc/00/32/77/632003277.db2.gz FHGAGTGPJIIQAH-MNOVXSKESA-N 0 0 299.773 3.043 20 10 CGCDRN CC[C@@H](C)N(C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816545788 632005537 /nfs/dbraw/zinc/00/55/37/632005537.db2.gz HVGXOCLQHOBBAT-SNVBAGLBSA-N 0 0 288.794 3.005 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1Cc2ccccc2C1 ZINC000816570044 632016358 /nfs/dbraw/zinc/01/63/58/632016358.db2.gz GBZCUVVYBKAENT-UHFFFAOYSA-N 0 0 291.753 3.442 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000816649515 632037194 /nfs/dbraw/zinc/03/71/94/632037194.db2.gz ATIHXEQPOAPFTF-AWEZNQCLSA-N 0 0 297.826 3.324 20 10 CGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc(C)n1 ZINC000817410528 632142781 /nfs/dbraw/zinc/14/27/81/632142781.db2.gz MSQQWWRPLFXYBL-UHFFFAOYSA-N 0 0 294.757 3.486 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000817444757 632160311 /nfs/dbraw/zinc/16/03/11/632160311.db2.gz 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CGCDRN CC[C@H]1CC[C@H](NC(=O)C2=CC(=O)CS2)CC1 ZINC000832834255 634102558 /nfs/dbraw/zinc/10/25/58/634102558.db2.gz KWSOPTHFYKGHNZ-MGCOHNPYSA-N 0 0 253.367 3.152 20 10 CGCDRN CCN1C(=O)/C(=C/c2c(C)cccc2OC)SC1=S ZINC000834398972 634161728 /nfs/dbraw/zinc/16/17/28/634161728.db2.gz VZKIOWGTLLDBTG-WQLSENKSSA-N 0 0 293.413 3.225 20 10 CGCDRN CCN1C(=O)/C(=C\c2ccc(C)cc2OC)SC1=S ZINC000834398541 634161775 /nfs/dbraw/zinc/16/17/75/634161775.db2.gz MJECNMXXERACFJ-XYOKQWHBSA-N 0 0 293.413 3.225 20 10 CGCDRN CC[C@H](C)[C@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000834542049 634178829 /nfs/dbraw/zinc/17/88/29/634178829.db2.gz HTHAPKLJCIRRDI-RCOVLWMOSA-N 0 0 281.299 3.161 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873156265 634264493 /nfs/dbraw/zinc/26/44/93/634264493.db2.gz KDXRGXWJPBMMMD-BHDSKKPTSA-N 0 0 299.773 3.232 20 10 CGCDRN CC(C)OC(=O)[C@@H](N[C@@H](C)c1cc(F)ccc1O)C(C)C ZINC000834885900 634266608 /nfs/dbraw/zinc/26/66/08/634266608.db2.gz NMPJKPXUUFWDLF-NHYWBVRUSA-N 0 0 297.370 3.158 20 10 CGCDRN Cc1cc(N)cc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000873217382 634287182 /nfs/dbraw/zinc/28/71/82/634287182.db2.gz KQTIWXCBKKTVGS-UHFFFAOYSA-N 0 0 273.355 3.394 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCCc3ccc(C)nc32)s1 ZINC000876487046 634843614 /nfs/dbraw/zinc/84/36/14/634843614.db2.gz PAMMYWNCKCZZKU-BQYQJAHWSA-N 0 0 299.399 3.148 20 10 CGCDRN CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(N)cc2)C1(C)C ZINC000837303261 634881899 /nfs/dbraw/zinc/88/18/99/634881899.db2.gz CFLRBSCSLAOWMJ-LSDHHAIUSA-N 0 0 272.392 3.123 20 10 CGCDRN CC[N@H+](Cc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000876725449 634887149 /nfs/dbraw/zinc/88/71/49/634887149.db2.gz JJGMDLHCXAMDNB-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN COCC[N@H+](Cc1ccc(C)o1)Cc1c(C)cccc1O ZINC000876772302 634896992 /nfs/dbraw/zinc/89/69/92/634896992.db2.gz ALZKGEPUBQUCDI-UHFFFAOYSA-N 0 0 289.375 3.251 20 10 CGCDRN CC1(C)CCC(C)(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000877034225 634957056 /nfs/dbraw/zinc/95/70/56/634957056.db2.gz BYTFAHFRLJIAEH-UHFFFAOYSA-N 0 0 274.408 3.286 20 10 CGCDRN Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877111909 634987282 /nfs/dbraw/zinc/98/72/82/634987282.db2.gz OOXDZDIMRNHUJE-MRVPVSSYSA-N 0 0 296.317 3.169 20 10 CGCDRN C[C@H](CCNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000126394059 635008081 /nfs/dbraw/zinc/00/80/81/635008081.db2.gz UZQKEDQBKXEKDF-GFCCVEGCSA-N 0 0 285.343 3.021 20 10 CGCDRN CCCOc1ccc(CNCc2ccno2)cc1C ZINC000877322395 635026875 /nfs/dbraw/zinc/02/68/75/635026875.db2.gz FUJPOQMAJYYMPQ-UHFFFAOYSA-N 0 0 260.337 3.062 20 10 CGCDRN CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877352499 635029820 /nfs/dbraw/zinc/02/98/20/635029820.db2.gz GWNVSMSHIKIKHN-QMMMGPOBSA-N 0 0 283.240 3.491 20 10 CGCDRN CCCCc1nnc(NCc2ccc(N(C)C)cc2C)o1 ZINC000840878205 635071556 /nfs/dbraw/zinc/07/15/56/635071556.db2.gz BGMYXOFXZDFOQI-UHFFFAOYSA-N 0 0 288.395 3.399 20 10 CGCDRN COCC1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000840879320 635072319 /nfs/dbraw/zinc/07/23/19/635072319.db2.gz DSIAYRXOAKXHAM-LKSINWNRSA-N 0 0 281.371 3.387 20 10 CGCDRN COC1([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000840883951 635073272 /nfs/dbraw/zinc/07/32/72/635073272.db2.gz HTTUDTWHPBXOQC-VHSXEESVSA-N 0 0 285.334 3.279 20 10 CGCDRN Cc1ccc([C@@H](C)N[C@@H](C)c2csnn2)c(O)c1C ZINC000840886541 635075370 /nfs/dbraw/zinc/07/53/70/635075370.db2.gz ZBSXCTWSDPEKSS-MNOVXSKESA-N 0 0 277.393 3.272 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CC1(F)F ZINC000840968247 635095695 /nfs/dbraw/zinc/09/56/95/635095695.db2.gz PNPJOIRFMOGTJJ-APPZFPTMSA-N 0 0 261.699 3.179 20 10 CGCDRN COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1C ZINC000877639259 635127716 /nfs/dbraw/zinc/12/77/16/635127716.db2.gz DVOROTVDYXLTAF-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN Cc1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(O)c1 ZINC000877642046 635128697 /nfs/dbraw/zinc/12/86/97/635128697.db2.gz FBFRGSPGEJPFTF-HDICACEKSA-N 0 0 287.403 3.093 20 10 CGCDRN CC(C)[C@@H]1N(C(=O)Nc2ccc(N)cc2)CC12CCC2 ZINC000841299635 635149356 /nfs/dbraw/zinc/14/93/56/635149356.db2.gz LTSOYARDCINDSU-AWEZNQCLSA-N 0 0 273.380 3.311 20 10 CGCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@@H]1c1ccncc1 ZINC000841300623 635149699 /nfs/dbraw/zinc/14/96/99/635149699.db2.gz XUBVNIVJYNWJES-OAHLLOKOSA-N 0 0 296.374 3.279 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1 ZINC000104368390 635189905 /nfs/dbraw/zinc/18/99/05/635189905.db2.gz LQEGKFPLPRMYCK-VMPITWQZSA-N 0 0 270.307 3.205 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(Cl)cc1[O-] ZINC000841743845 635222230 /nfs/dbraw/zinc/22/22/30/635222230.db2.gz CIEUGSLXFWZFAH-TUKIKUTGSA-N 0 0 294.826 3.323 20 10 CGCDRN C[C@@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841746648 635223857 /nfs/dbraw/zinc/22/38/57/635223857.db2.gz JQTJRCGDDCYLQH-SNVBAGLBSA-N 0 0 269.772 3.123 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000841756308 635230120 /nfs/dbraw/zinc/23/01/20/635230120.db2.gz TYQSEUOOQNTJET-WCQYABFASA-N 0 0 296.367 3.012 20 10 CGCDRN C[C@H]([NH2+]CCc1ccncc1)c1ccc(Cl)cc1[O-] ZINC000841757938 635231803 /nfs/dbraw/zinc/23/18/03/635231803.db2.gz IWOCJTFJUBKCBE-NSHDSACASA-N 0 0 276.767 3.334 20 10 CGCDRN CCc1cccc(CNc2cnn(CC)c2C)c1O ZINC000877833975 635234498 /nfs/dbraw/zinc/23/44/98/635234498.db2.gz MMOUUEUKKVUQLJ-UHFFFAOYSA-N 0 0 259.353 3.092 20 10 CGCDRN COc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000841793891 635235783 /nfs/dbraw/zinc/23/57/83/635235783.db2.gz QNGVVYDFGJIIJB-CQSZACIVSA-N 0 0 293.407 3.230 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)CCC(=O)[O-])cc1F ZINC000841808018 635237952 /nfs/dbraw/zinc/23/79/52/635237952.db2.gz HHADLRWYXATLHB-LBPRGKRZSA-N 0 0 296.386 3.015 20 10 CGCDRN c1nc(CCOc2ccc(N3CCCC3)cc2)cs1 ZINC000842033808 635261359 /nfs/dbraw/zinc/26/13/59/635261359.db2.gz DZZXACITBNQGMO-UHFFFAOYSA-N 0 0 274.389 3.365 20 10 CGCDRN CCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000022408533 635294046 /nfs/dbraw/zinc/29/40/46/635294046.db2.gz LSEPNNKTIGSTDV-UHFFFAOYSA-N 0 0 256.349 3.234 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc(N(C)C)cc2)c1 ZINC000126851568 635327744 /nfs/dbraw/zinc/32/77/44/635327744.db2.gz KCPPZUYWFXSXSM-BJMVGYQFSA-N 0 0 295.386 3.132 20 10 CGCDRN COc1ccc(N(CC(C)=O)Cc2ccco2)cc1F ZINC000878253556 635433979 /nfs/dbraw/zinc/43/39/79/635433979.db2.gz DVZPRMAUCCSPIG-UHFFFAOYSA-N 0 0 277.295 3.023 20 10 CGCDRN CN(Cc1cccc2c1NCC2)c1ccc2c(c1)OCO2 ZINC000843069867 635557333 /nfs/dbraw/zinc/55/73/33/635557333.db2.gz TWHFTIAUBNRLHM-UHFFFAOYSA-N 0 0 282.343 3.020 20 10 CGCDRN C[C@H]1CC[C@@H](Cc2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158661 635587263 /nfs/dbraw/zinc/58/72/63/635587263.db2.gz FZCZPHRODPMPHL-WCQYABFASA-N 0 0 271.364 3.221 20 10 CGCDRN Nc1ccc(Cc2noc(C34CCC(CC3)C4)n2)cc1 ZINC000843160461 635589014 /nfs/dbraw/zinc/58/90/14/635589014.db2.gz YOBPHPZYMCQUJP-UHFFFAOYSA-N 0 0 269.348 3.074 20 10 CGCDRN CC(C)C[C@H](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160526 635589128 /nfs/dbraw/zinc/58/91/28/635589128.db2.gz ZBTRBKLOLAUFHT-LBPRGKRZSA-N 0 0 273.380 3.467 20 10 CGCDRN CC(C)c1cc(-c2nc(Cc3ccc(N)cc3)no2)no1 ZINC000843160272 635589348 /nfs/dbraw/zinc/58/93/48/635589348.db2.gz XAENBNMDIUOHHP-UHFFFAOYSA-N 0 0 284.319 3.021 20 10 CGCDRN Nc1ccc(Cc2nc([C@H]3CCCOC3)cs2)cc1 ZINC000843289713 635638539 /nfs/dbraw/zinc/63/85/39/635638539.db2.gz WRYLHFUSGDQGBA-LBPRGKRZSA-N 0 0 274.389 3.210 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CO[C@H](C)C2)cc1 ZINC000843733436 635766168 /nfs/dbraw/zinc/76/61/68/635766168.db2.gz SRQFAJCRMLPSBX-GDBMZVCRSA-N 0 0 298.386 3.001 20 10 CGCDRN CCOC(=O)CCCCC[NH2+][C@H](C)c1ccccc1O ZINC000879648172 635825619 /nfs/dbraw/zinc/82/56/19/635825619.db2.gz BJFPWOBIXZLMLD-CYBMUJFWSA-N 0 0 279.380 3.166 20 10 CGCDRN COC(=O)[C@@H](N[C@H](C)c1ccccc1O)c1ccccc1C ZINC000879649345 635826277 /nfs/dbraw/zinc/82/62/77/635826277.db2.gz OBEZGFKPALFTHG-DYVFJYSZSA-N 0 0 299.370 3.266 20 10 CGCDRN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)c1ccccc1O ZINC000879649024 635826793 /nfs/dbraw/zinc/82/67/93/635826793.db2.gz IUZCFWKHDWOGBT-ZJUUUORDSA-N 0 0 273.336 3.064 20 10 CGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(OC)cc1O ZINC000879846843 635871131 /nfs/dbraw/zinc/87/11/31/635871131.db2.gz PAMUZQRTKPQNKW-CXAGYDPISA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(N(C)Cc2nccn2C(C)C)cc1 ZINC000844352740 635877224 /nfs/dbraw/zinc/87/72/24/635877224.db2.gz FTWAYCWUKBHMMR-UHFFFAOYSA-N 0 0 259.353 3.109 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000844352873 635877535 /nfs/dbraw/zinc/87/75/35/635877535.db2.gz AWIDHNLECQRRBX-MRXNPFEDSA-N 0 0 275.323 3.004 20 10 CGCDRN CCN(C(=O)CN(C)c1ccc(OC)cc1)c1ccccc1 ZINC000844353642 635878912 /nfs/dbraw/zinc/87/89/12/635878912.db2.gz SVBJLBDKDINCGU-UHFFFAOYSA-N 0 0 298.386 3.185 20 10 CGCDRN COc1ccc(N(C)CCc2csc(C)n2)cc1 ZINC000844353573 635878963 /nfs/dbraw/zinc/87/89/63/635878963.db2.gz ZCAYMBNEQDKBLT-UHFFFAOYSA-N 0 0 262.378 3.139 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3C3CCC3)ccc21 ZINC000844357479 635879036 /nfs/dbraw/zinc/87/90/36/635879036.db2.gz NCNGQFGIFCZENX-DLBZAZTESA-N 0 0 298.430 3.121 20 10 CGCDRN Cc1cc(O)c(CN2CCCC(F)(F)C2)cc1C ZINC000844714644 635956638 /nfs/dbraw/zinc/95/66/38/635956638.db2.gz BXZKKFVCBPYQRL-UHFFFAOYSA-N 0 0 255.308 3.240 20 10 CGCDRN C[C@@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000881441185 636109527 /nfs/dbraw/zinc/10/95/27/636109527.db2.gz SNYSDMYAQRQWFO-CHWSQXEVSA-N 0 0 291.391 3.165 20 10 CGCDRN CC[C@H](Nc1cc(COC)ccn1)c1ccccc1O ZINC000846117912 636146773 /nfs/dbraw/zinc/14/67/73/636146773.db2.gz RIRIGEABTRQFSZ-AWEZNQCLSA-N 0 0 272.348 3.497 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2ccccc2O)c1 ZINC000846213162 636160359 /nfs/dbraw/zinc/16/03/59/636160359.db2.gz PQBKQYNATZEHOX-NSHDSACASA-N 0 0 258.321 3.107 20 10 CGCDRN O=C(C=C1CCCC1)NCc1cc(Cl)ccc1O ZINC000846472715 636187118 /nfs/dbraw/zinc/18/71/18/636187118.db2.gz MECCMQJWBXROBP-UHFFFAOYSA-N 0 0 265.740 3.162 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1[nH]ccc1C1CC1 ZINC000846476439 636188815 /nfs/dbraw/zinc/18/88/15/636188815.db2.gz MBDQPUZYZMLMEE-UHFFFAOYSA-N 0 0 290.750 3.181 20 10 CGCDRN O=C(C[C@@H]1C=CCC1)NCc1cc(Cl)ccc1O ZINC000846480257 636189660 /nfs/dbraw/zinc/18/96/60/636189660.db2.gz UNOLGIWADAVSBX-SNVBAGLBSA-N 0 0 265.740 3.018 20 10 CGCDRN CN(C[C@H]1CCOC1)c1ccc(-c2nccs2)cc1 ZINC000846752118 636226440 /nfs/dbraw/zinc/22/64/40/636226440.db2.gz CQKPAQYXBMQNOW-GFCCVEGCSA-N 0 0 274.389 3.283 20 10 CGCDRN Cc1cncnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000882158182 636273488 /nfs/dbraw/zinc/27/34/88/636273488.db2.gz VMKVVGWIGQJUEH-UHFFFAOYSA-N 0 0 286.766 3.127 20 10 CGCDRN Cc1cnn(CCN(C)c2ccc(-c3nccs3)cc2)c1 ZINC000846991717 636302447 /nfs/dbraw/zinc/30/24/47/636302447.db2.gz GVHCCSXMCXYXGY-UHFFFAOYSA-N 0 0 298.415 3.451 20 10 CGCDRN C[C@H](O)CCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846995932 636304064 /nfs/dbraw/zinc/30/40/64/636304064.db2.gz PZJLIFHAOBHVJK-LBPRGKRZSA-N 0 0 276.405 3.407 20 10 CGCDRN C/C(=C/C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000130163344 636427697 /nfs/dbraw/zinc/42/76/97/636427697.db2.gz BOUPZAYNVJMVKM-OWBHPGMISA-N 0 0 281.355 3.454 20 10 CGCDRN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882981081 636487358 /nfs/dbraw/zinc/48/73/58/636487358.db2.gz BKGCTWKWUQUOHN-JTQLQIEISA-N 0 0 293.313 3.097 20 10 CGCDRN CCCN(Cc1ncc(Cl)n1C)Cc1ccccc1O ZINC000130722022 636503976 /nfs/dbraw/zinc/50/39/76/636503976.db2.gz YDKGXPPQTVKNPI-UHFFFAOYSA-N 0 0 293.798 3.191 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC000883017834 636508043 /nfs/dbraw/zinc/50/80/43/636508043.db2.gz COBMCSYVMWACTG-ZIAGYGMSSA-N 0 0 297.345 3.108 20 10 CGCDRN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CO2 ZINC000883046963 636519931 /nfs/dbraw/zinc/51/99/31/636519931.db2.gz DOJJHVDZCDJROO-AWEZNQCLSA-N 0 0 291.297 3.202 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/OCC ZINC000848045243 636523870 /nfs/dbraw/zinc/52/38/70/636523870.db2.gz DEMANCBKLCUYEM-ZRDIBKRKSA-N 0 0 277.364 3.071 20 10 CGCDRN Cc1ccncc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883081300 636532884 /nfs/dbraw/zinc/53/28/84/636532884.db2.gz AMFZIUKACMCGNB-JTQLQIEISA-N 0 0 278.302 3.225 20 10 CGCDRN CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883082829 636533475 /nfs/dbraw/zinc/53/34/75/636533475.db2.gz SCRTYPHDTWCIDU-SNVBAGLBSA-N 0 0 292.329 3.479 20 10 CGCDRN CC(C)(CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883098890 636539979 /nfs/dbraw/zinc/53/99/79/636539979.db2.gz CKVCRHLKUTWDDN-UHFFFAOYSA-N 0 0 283.240 3.491 20 10 CGCDRN C[C@@H]1CC(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@@H](C)O1 ZINC000883113239 636544020 /nfs/dbraw/zinc/54/40/20/636544020.db2.gz NMMVGYGIFVFVQY-GHMZBOCLSA-N 0 0 299.361 3.354 20 10 CGCDRN COc1ccc(N(C)Cc2ccncc2)cc1Cl ZINC000131444125 636658042 /nfs/dbraw/zinc/65/80/42/636658042.db2.gz JCLXZYODBLEXNW-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)F ZINC000883399262 636740186 /nfs/dbraw/zinc/74/01/86/636740186.db2.gz IKLKEUOCSKTYHZ-FJXKBIBVSA-N 0 0 259.271 3.323 20 10 CGCDRN CCOc1ccc(/C=C2\SC(=S)N(C)C2=O)c(C)c1 ZINC000849173279 636766279 /nfs/dbraw/zinc/76/62/79/636766279.db2.gz FURYMGQRQVUFQF-WQLSENKSSA-N 0 0 293.413 3.225 20 10 CGCDRN Nc1ccc(NC(=O)NCC[C@H]2CCCC2(F)F)cc1 ZINC000883569846 636792041 /nfs/dbraw/zinc/79/20/41/636792041.db2.gz LDOOFJHQTVJXFG-SNVBAGLBSA-N 0 0 283.322 3.216 20 10 CGCDRN C[C@@H]1CCCCN1C(=O)CSc1ncc(Cl)s1 ZINC000849998128 636923922 /nfs/dbraw/zinc/92/39/22/636923922.db2.gz KMOZMUBEGVHVRI-MRVPVSSYSA-N 0 0 290.841 3.290 20 10 CGCDRN CCn1nccc1CCSc1ncc(Cl)s1 ZINC000849999910 636924101 /nfs/dbraw/zinc/92/41/01/636924101.db2.gz BYISDYJOEWHROC-UHFFFAOYSA-N 0 0 273.814 3.348 20 10 CGCDRN FC(F)(F)COCSc1ncc(Cl)s1 ZINC000850000255 636925175 /nfs/dbraw/zinc/92/51/75/636925175.db2.gz OAAPWDWTRKIMAF-UHFFFAOYSA-N 0 0 263.693 3.425 20 10 CGCDRN Clc1cnc(SCc2cn(CC3CC3)nn2)s1 ZINC000850001702 636925840 /nfs/dbraw/zinc/92/58/40/636925840.db2.gz KUSZPKRWIHMKBK-UHFFFAOYSA-N 0 0 286.813 3.090 20 10 CGCDRN CCc1nnc([C@@H](C)Sc2ncc(Cl)s2)[nH]1 ZINC000850001884 636926032 /nfs/dbraw/zinc/92/60/32/636926032.db2.gz NWXMBYCWWJNTPP-RXMQYKEDSA-N 0 0 274.802 3.330 20 10 CGCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)C1CCOCC1 ZINC000850002143 636926374 /nfs/dbraw/zinc/92/63/74/636926374.db2.gz UPCHUIWPVXQKHG-ZETCQYMHSA-N 0 0 291.825 3.273 20 10 CGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)N(C)c1ccc(N)cc1 ZINC000884441869 637027460 /nfs/dbraw/zinc/02/74/60/637027460.db2.gz RIRBMUPZVVBUGE-BLLLJJGKSA-N 0 0 260.381 3.448 20 10 CGCDRN CC(C)(F)CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850375295 637037257 /nfs/dbraw/zinc/03/72/57/637037257.db2.gz XBZZYQRMIMNHCH-UHFFFAOYSA-N 0 0 290.722 3.182 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000850382132 637040391 /nfs/dbraw/zinc/04/03/91/637040391.db2.gz NWTDUJHDMIIUHM-NSHDSACASA-N 0 0 284.743 3.232 20 10 CGCDRN CCN(CC)c1ccc(CNc2nn(C)cc2C)cc1F ZINC000850418719 637054235 /nfs/dbraw/zinc/05/42/35/637054235.db2.gz AYVRLGWEUVIFJD-UHFFFAOYSA-N 0 0 290.386 3.326 20 10 CGCDRN Cc1cnc(NCc2c(O)cccc2Cl)s1 ZINC000134992014 637061863 /nfs/dbraw/zinc/06/18/63/637061863.db2.gz SZMVTQHRMQVERW-UHFFFAOYSA-N 0 0 254.742 3.423 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000850482264 637085608 /nfs/dbraw/zinc/08/56/08/637085608.db2.gz RBPAQMFVEUBUHF-HIFRSBDPSA-N 0 0 294.414 3.445 20 10 CGCDRN CC[C@@H]([NH2+]C/C=C\CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000850508334 637095210 /nfs/dbraw/zinc/09/52/10/637095210.db2.gz LPBXVHDAEJWVJW-VSQXVHSFSA-N 0 0 290.190 3.288 20 10 CGCDRN C[C@H]([NH2+]CCCOC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850525555 637104196 /nfs/dbraw/zinc/10/41/96/637104196.db2.gz KJJJCYXOECZUOV-NSHDSACASA-N 0 0 296.367 3.156 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C1CC1 ZINC000850541331 637115141 /nfs/dbraw/zinc/11/51/41/637115141.db2.gz YREYIWXAMYGAMD-QMTHXVAHSA-N 0 0 277.364 3.018 20 10 CGCDRN CCCN1CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000850556079 637120086 /nfs/dbraw/zinc/12/00/86/637120086.db2.gz QSQQZGBEWDOLOB-HIFRSBDPSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1cc(C)n(CCC[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886491473 637539937 /nfs/dbraw/zinc/53/99/37/637539937.db2.gz FSWXJQQGCGTJJL-CYBMUJFWSA-N 0 0 291.370 3.086 20 10 CGCDRN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886534850 637560178 /nfs/dbraw/zinc/56/01/78/637560178.db2.gz QBYQIOYSJHCVFZ-CHWSQXEVSA-N 0 0 283.387 3.227 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccncc1 ZINC000886536732 637561903 /nfs/dbraw/zinc/56/19/03/637561903.db2.gz NVDZGEVPDUOVSJ-RYUDHWBXSA-N 0 0 274.339 3.381 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCSC1)c1c([O-])cccc1F ZINC000886537195 637562024 /nfs/dbraw/zinc/56/20/24/637562024.db2.gz VUMDJIJPOFKPPN-VHSXEESVSA-N 0 0 255.358 3.078 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCO[C@@H]2CC2(F)F)cc1 ZINC000851985683 637565607 /nfs/dbraw/zinc/56/56/07/637565607.db2.gz PNLXYTTXFOFAJB-CQSZACIVSA-N 0 0 285.334 3.334 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000886552361 637577569 /nfs/dbraw/zinc/57/75/69/637577569.db2.gz ZWTLWKNRYJQPPH-NWDGAFQWSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@H](CCO)C1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886562084 637582799 /nfs/dbraw/zinc/58/27/99/637582799.db2.gz QHHJCERBSMTTNI-CHWSQXEVSA-N 0 0 295.398 3.371 20 10 CGCDRN C[C@@H](Nc1cnn(C)c1C1CC1)c1c(O)cccc1F ZINC000886592411 637597229 /nfs/dbraw/zinc/59/72/29/637597229.db2.gz SGXKACOTYBIOAL-SECBINFHSA-N 0 0 275.327 3.315 20 10 CGCDRN CCOC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(C)C ZINC000886599002 637599058 /nfs/dbraw/zinc/59/90/58/637599058.db2.gz OVWAITTXYCCYKJ-YPMHNXCESA-N 0 0 269.360 3.243 20 10 CGCDRN CC(C)SCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886609261 637602913 /nfs/dbraw/zinc/60/29/13/637602913.db2.gz PPEZNDRYRYAXBN-SNVBAGLBSA-N 0 0 257.374 3.324 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886617479 637608788 /nfs/dbraw/zinc/60/87/88/637608788.db2.gz PIPUWRABLOCPLD-MISXGVKJSA-N 0 0 269.360 3.243 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CC(C)C ZINC000886627221 637616979 /nfs/dbraw/zinc/61/69/79/637616979.db2.gz WLJQHWMTFKDVEV-NWDGAFQWSA-N 0 0 269.360 3.243 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CC(F)F ZINC000886629656 637618611 /nfs/dbraw/zinc/61/86/11/637618611.db2.gz KSZUAROZKUJAMH-IUCAKERBSA-N 0 0 261.287 3.473 20 10 CGCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000852261754 637624459 /nfs/dbraw/zinc/62/44/59/637624459.db2.gz VESQUCDTWCWLIJ-BLLLJJGKSA-N 0 0 289.423 3.301 20 10 CGCDRN CC(=O)c1cc(F)cc(CN[C@@H](C)c2cscn2)c1O ZINC000852417321 637648392 /nfs/dbraw/zinc/64/83/92/637648392.db2.gz KJIMXLPLGUBBOB-QMMMGPOBSA-N 0 0 294.351 3.041 20 10 CGCDRN C[C@H](Cc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000112001855 638023459 /nfs/dbraw/zinc/02/34/59/638023459.db2.gz AYGKDQATBHXYAI-OAHLLOKOSA-N 0 0 296.414 3.248 20 10 CGCDRN CC[C@@H](Cc1ccc(F)cc1)NC(=O)C1=CC(=O)CS1 ZINC000855213324 638158558 /nfs/dbraw/zinc/15/85/58/638158558.db2.gz LTYKVCBYWWJWCN-LBPRGKRZSA-N 0 0 293.363 3.344 20 10 CGCDRN C[C@H]1N(C(=O)c2cccc(O)c2O)c2ccccc2C1(C)C ZINC000855907096 638275767 /nfs/dbraw/zinc/27/57/67/638275767.db2.gz FWHFLLYOKUWLKP-LLVKDONJSA-N 0 0 297.354 3.424 20 10 CGCDRN CC[C@@H]1CCC[C@H](C)N1C(=O)C1=CC(=O)CS1 ZINC000856273390 638333428 /nfs/dbraw/zinc/33/34/28/638333428.db2.gz NFQLOYRQVBIIMK-VHSXEESVSA-N 0 0 253.367 3.247 20 10 CGCDRN COc1cccc(NCc2cccc(OC)c2O)c1C ZINC000858240556 638661938 /nfs/dbraw/zinc/66/19/38/638661938.db2.gz OYWZWWKRMQLFJJ-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858254305 638665215 /nfs/dbraw/zinc/66/52/15/638665215.db2.gz YGPPRINSBFJQSU-WCQYABFASA-N 0 0 278.396 3.325 20 10 CGCDRN COCc1ccc(NCc2cc(C)ccc2O)cc1OC ZINC000858310147 638676993 /nfs/dbraw/zinc/67/69/93/638676993.db2.gz RDJQDDCPEHEENL-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN CCC(F)(F)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000858368904 638695513 /nfs/dbraw/zinc/69/55/13/638695513.db2.gz PGXRPYFXSAPBQP-NSHDSACASA-N 0 0 299.365 3.158 20 10 CGCDRN C[C@@H](Nc1cnn(CCF)c1)c1cc(F)cc(F)c1O ZINC000858491677 638742301 /nfs/dbraw/zinc/74/23/01/638742301.db2.gz NGVJPDOQOCTIQZ-MRVPVSSYSA-N 0 0 285.269 3.010 20 10 CGCDRN CCC[C@](C)(CC)C(=O)NCc1c(O)cccc1F ZINC000928707411 638889335 /nfs/dbraw/zinc/88/93/35/638889335.db2.gz DJHKECRTQMVHQW-HNNXBMFYSA-N 0 0 267.344 3.364 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2c(O)cccc2F)s1 ZINC000928705265 638889339 /nfs/dbraw/zinc/88/93/39/638889339.db2.gz FNSIKOWJOVZCFY-UHFFFAOYSA-N 0 0 293.363 3.150 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2nncs2)cc1 ZINC000929184956 638906306 /nfs/dbraw/zinc/90/63/06/638906306.db2.gz OLOYMWZZCYGYJN-UHFFFAOYSA-N 0 0 290.436 3.016 20 10 CGCDRN CCN(C/C=C(\C)COC)c1ccc(OC)c(OC)c1 ZINC000929896942 638960096 /nfs/dbraw/zinc/96/00/96/638960096.db2.gz HGHUUUKYTPMYIS-UKTHLTGXSA-N 0 0 279.380 3.123 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCc2cc(C)cc(C)c2)c1 ZINC000858611656 639002638 /nfs/dbraw/zinc/00/26/38/639002638.db2.gz MRRSFGMIIFTZSQ-UHFFFAOYSA-N 0 0 298.386 3.317 20 10 CGCDRN COc1ccc(N(C)Cc2ccncc2C)c(OC)c1 ZINC000859205070 639108061 /nfs/dbraw/zinc/10/80/61/639108061.db2.gz UBWOIIDLBXAARL-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CCC2(C)CC2)cc1F ZINC000931146730 639117355 /nfs/dbraw/zinc/11/73/55/639117355.db2.gz QTALHYQHIDAYHT-UHFFFAOYSA-N 0 0 278.371 3.088 20 10 CGCDRN Cc1cocc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000860950064 639473553 /nfs/dbraw/zinc/47/35/53/639473553.db2.gz HGIALWVHTNHWDK-LBPRGKRZSA-N 0 0 272.348 3.145 20 10 CGCDRN C[C@H]1CC[C@H](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862027001 639635277 /nfs/dbraw/zinc/63/52/77/639635277.db2.gz GPOMGRXNAJCKKF-STQMWFEESA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@H]1CCC[C@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC000862027586 639635970 /nfs/dbraw/zinc/63/59/70/639635970.db2.gz XRNBTJCJFZMHEV-JSGCOSHPSA-N 0 0 298.386 3.383 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)cn2)cc1F ZINC000156858916 639984460 /nfs/dbraw/zinc/98/44/60/639984460.db2.gz CNHVSYFHLXQIAB-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN CC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000047319952 640010984 /nfs/dbraw/zinc/01/09/84/640010984.db2.gz RJBKSLRDIGSCTL-UHFFFAOYSA-N 0 0 298.342 3.259 20 10 CGCDRN Cc1cscc1C[NH2+]Cc1cccc(F)c1[O-] ZINC000158811402 640018093 /nfs/dbraw/zinc/01/80/93/640018093.db2.gz GQDDYXYPXATLJV-UHFFFAOYSA-N 0 0 251.326 3.191 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2ccccc21 ZINC000158976207 640025168 /nfs/dbraw/zinc/02/51/68/640025168.db2.gz KKEJSHUNUICIBD-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188423289 640136024 /nfs/dbraw/zinc/13/60/24/640136024.db2.gz CKIXLHLSWBOIHK-WDEREUQCSA-N 0 0 277.364 3.137 20 10 CGCDRN C[C@@H](NCc1cc(F)ccc1O)c1nc(C(C)(C)C)no1 ZINC000191568947 640318871 /nfs/dbraw/zinc/31/88/71/640318871.db2.gz QVWLYIDGIYFCSB-SECBINFHSA-N 0 0 293.342 3.063 20 10 CGCDRN O=C(CCC(F)(F)F)NCCCSc1nccs1 ZINC000080245248 640457036 /nfs/dbraw/zinc/45/70/36/640457036.db2.gz OFFBLDXKXORWTA-UHFFFAOYSA-N 0 0 298.355 3.084 20 10 CGCDRN COc1cc(-c2nc3cc(Cl)ccc3[nH]2)cc(O)c1O ZINC000194102946 640513466 /nfs/dbraw/zinc/51/34/66/640513466.db2.gz KSXQQHQWHXVEBT-UHFFFAOYSA-N 0 0 290.706 3.303 20 10 CGCDRN Cc1cc(C)cc(NC(=S)NCc2ncccc2C)c1 ZINC000244083145 640613152 /nfs/dbraw/zinc/61/31/52/640613152.db2.gz UEBANBUSLQTEHT-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CO1 ZINC000245541646 640625627 /nfs/dbraw/zinc/62/56/27/640625627.db2.gz OOXKRSAQVAQPOT-HOTGVXAUSA-N 0 0 288.435 3.286 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c(O)c1 ZINC000248524483 640765197 /nfs/dbraw/zinc/76/51/97/640765197.db2.gz TYUXXYOKODQOON-HEHGZKQESA-N 0 0 289.375 3.456 20 10 CGCDRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(O)c1O ZINC000114428820 640996982 /nfs/dbraw/zinc/99/69/82/640996982.db2.gz XTNGMKYCGHEZCK-BDJLRTHQSA-N 0 0 297.354 3.151 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ncc(C(F)F)cn2)cc1 ZINC001156928184 805754697 /nfs/dbraw/zinc/75/46/97/805754697.db2.gz NFXPHEAPMODGSC-UHFFFAOYSA-N 0 0 292.333 3.117 20 10 CGCDRN CN(C)c1ccc(CN(C)c2nccc(C(C)(C)C)n2)cc1 ZINC001156924055 805753159 /nfs/dbraw/zinc/75/31/59/805753159.db2.gz NDOBQGDZZWDMNJ-UHFFFAOYSA-N 0 0 298.434 3.477 20 10 CGCDRN CS/C=C\C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041954 805767625 /nfs/dbraw/zinc/76/76/25/805767625.db2.gz QYNDNKKUJVOSLG-HJWRWDBZSA-N 0 0 273.357 3.038 20 10 CGCDRN Cc1ccc(/N=N/c2ccc(C)c(NC[C@H](O)CO)c2)cc1 ZINC001252067232 805982430 /nfs/dbraw/zinc/98/24/30/805982430.db2.gz DQNGOJKJMYDOOH-QBNCKDSPSA-N 0 0 299.374 3.484 20 10 CGCDRN Cc1cc2ncnc(NCc3ccc(O)c(O)c3)c2cc1C ZINC001159004698 806030013 /nfs/dbraw/zinc/03/00/13/806030013.db2.gz GYWMZBFTGCYHLQ-UHFFFAOYSA-N 0 0 295.342 3.270 20 10 CGCDRN COC(=O)c1nc2ccccc2cc1Nc1ccc(N)cc1 ZINC001159371312 806089022 /nfs/dbraw/zinc/08/90/22/806089022.db2.gz IAWKQVSIMGEAME-UHFFFAOYSA-N 0 0 293.326 3.347 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(C)n1C1CC1 ZINC001253217783 806182894 /nfs/dbraw/zinc/18/28/94/806182894.db2.gz KEYLRSJAQOIKTR-UHFFFAOYSA-N 0 0 284.359 3.075 20 10 CGCDRN Cc1cccc(CNc2nc(Cl)ncc2Cl)c1O ZINC001160765124 806300688 /nfs/dbraw/zinc/30/06/88/806300688.db2.gz SSXPLULIBUBWAQ-UHFFFAOYSA-N 0 0 284.146 3.410 20 10 CGCDRN Cc1cc(C)c(CNc2cc(N)cc(Cl)n2)c(O)c1 ZINC001160810161 806306555 /nfs/dbraw/zinc/30/65/55/806306555.db2.gz KZXMLQFKSNLMCU-UHFFFAOYSA-N 0 0 277.755 3.252 20 10 CGCDRN COc1nc(C)nc(NCc2c(C)cc(C)cc2O)c1C ZINC001160811729 806307963 /nfs/dbraw/zinc/30/79/63/806307963.db2.gz UZOXZNZZRJNVPS-UHFFFAOYSA-N 0 0 287.363 3.037 20 10 CGCDRN Nc1ccc(CCn2cc(-c3ccc(Cl)cc3)nn2)cc1 ZINC001254081255 806339417 /nfs/dbraw/zinc/33/94/17/806339417.db2.gz OILMIZXYDHTUFL-UHFFFAOYSA-N 0 0 298.777 3.423 20 10 CGCDRN C[C@H](NC(=O)NC[C@]1(C)CC1(C)C)c1ccccc1O ZINC001254833871 806493496 /nfs/dbraw/zinc/49/34/96/806493496.db2.gz DRXHGKGLWMMGPR-ZBEGNZNMSA-N 0 0 276.380 3.189 20 10 CGCDRN Cc1cc2ccncc2nc1NCc1ccc(N)cc1 ZINC001162787478 806665641 /nfs/dbraw/zinc/66/56/41/806665641.db2.gz LLSIWVLWSISECU-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN CSc1cnc(NCc2ccc(N)cc2)c(C)c1 ZINC001162787347 806665947 /nfs/dbraw/zinc/66/59/47/806665947.db2.gz JFQJDKABPHLXCA-UHFFFAOYSA-N 0 0 259.378 3.306 20 10 CGCDRN CSc1cnc(Cl)c(NCc2ccc(N)cc2)n1 ZINC001162787352 806666071 /nfs/dbraw/zinc/66/60/71/806666071.db2.gz JIGKNOVXYJYGNM-UHFFFAOYSA-N 0 0 280.784 3.046 20 10 CGCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(C)cc1 ZINC000037028270 798856420 /nfs/dbraw/zinc/85/64/20/798856420.db2.gz PJJZTXIPXGNAQF-QGZVFWFLSA-N 0 0 282.387 3.387 20 10 CGCDRN Oc1ccccc1CNc1cccc(Cn2cccn2)c1 ZINC000037125553 798859351 /nfs/dbraw/zinc/85/93/51/798859351.db2.gz ILANSNVNXAZNST-UHFFFAOYSA-N 0 0 279.343 3.249 20 10 CGCDRN C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000037805314 798874358 /nfs/dbraw/zinc/87/43/58/798874358.db2.gz USHRMUUYGJNFJJ-CYBMUJFWSA-N 0 0 268.360 3.031 20 10 CGCDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000037802947 798874856 /nfs/dbraw/zinc/87/48/56/798874856.db2.gz QXLZBHWLXCJLKG-LBPRGKRZSA-N 0 0 286.350 3.170 20 10 CGCDRN CSc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000042879083 798889296 /nfs/dbraw/zinc/88/92/96/798889296.db2.gz VFNRMXMICIMQNU-UHFFFAOYSA-N 0 0 289.356 3.455 20 10 CGCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1C=CCCC1 ZINC000158380758 799071103 /nfs/dbraw/zinc/07/11/03/799071103.db2.gz NUUVHRFEFPIVGD-CYBMUJFWSA-N 0 0 295.342 3.089 20 10 CGCDRN c1ccc2c(c1)CCN2Cc1ccc(N2CCOCC2)cc1 ZINC000180545878 799111684 /nfs/dbraw/zinc/11/16/84/799111684.db2.gz KWZQHRBYICJCBP-UHFFFAOYSA-N 0 0 294.398 3.086 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000235364625 799144469 /nfs/dbraw/zinc/14/44/69/799144469.db2.gz WOEIBTBEFCUQHR-VXGBXAGGSA-N 0 0 261.369 3.217 20 10 CGCDRN CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000381430243 799379183 /nfs/dbraw/zinc/37/91/83/799379183.db2.gz BFTQXQZEUSEWCD-QWRGUYRKSA-N 0 0 257.786 3.029 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cnc2ccccc2c1 ZINC000383689389 799406789 /nfs/dbraw/zinc/40/67/89/799406789.db2.gz DVPFLJGKLAILPB-UHFFFAOYSA-N 0 0 292.338 3.213 20 10 CGCDRN CCNC(=O)c1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000389870403 799466222 /nfs/dbraw/zinc/46/62/22/799466222.db2.gz ZYMBRHOUQSXDLC-HNNXBMFYSA-N 0 0 296.370 3.241 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1O ZINC000397886617 799523272 /nfs/dbraw/zinc/52/32/72/799523272.db2.gz MYCJEHGQMYIJQD-WCFLWFBJSA-N 0 0 251.395 3.184 20 10 CGCDRN Nc1ccc(NC(=O)NC[C@@H]2CC3CCC2CC3)cc1 ZINC000400075055 799544257 /nfs/dbraw/zinc/54/42/57/799544257.db2.gz NTHGVPZOYNVDNF-BPCQOVAHSA-N 0 0 273.380 3.217 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCCC(F)(F)C1 ZINC000404969941 799580309 /nfs/dbraw/zinc/58/03/09/799580309.db2.gz ZFVATZTZAPLCEL-UHFFFAOYSA-N 0 0 261.699 3.277 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2[nH]ccc2c1 ZINC000588403764 799688853 /nfs/dbraw/zinc/68/88/53/799688853.db2.gz YRMHECYBQOBHCZ-KXFIGUGUSA-N 0 0 294.310 3.231 20 10 CGCDRN CCCc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000588506941 799703691 /nfs/dbraw/zinc/70/36/91/799703691.db2.gz JGNOMMVJQXOTBA-DHZHZOJOSA-N 0 0 263.387 3.128 20 10 CGCDRN COc1ccc(O)c(CNC(=O)/C(C)=C\C(C)(C)C)c1 ZINC000588505114 799704323 /nfs/dbraw/zinc/70/43/23/799704323.db2.gz ZRWPOWXBQBTQOV-LUAWRHEFSA-N 0 0 277.364 3.009 20 10 CGCDRN CO[C@@H](C)C[N@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000688094490 799744514 /nfs/dbraw/zinc/74/45/14/799744514.db2.gz KBFNLPOMNMKMED-NSHDSACASA-N 0 0 271.788 3.291 20 10 CGCDRN CC[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000689165580 799762042 /nfs/dbraw/zinc/76/20/42/799762042.db2.gz BCRLDALSWDJFCI-MNOVXSKESA-N 0 0 269.772 3.045 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCOC1CCC1 ZINC000690689995 799776814 /nfs/dbraw/zinc/77/68/14/799776814.db2.gz RAIQMLMJGOWTBF-UHFFFAOYSA-N 0 0 290.190 3.358 20 10 CGCDRN CCN(CC)c1ccc(CNC2(C(F)F)CC2)cc1 ZINC000697365927 799846085 /nfs/dbraw/zinc/84/60/85/799846085.db2.gz DBWUHXNBUXXYAM-UHFFFAOYSA-N 0 0 268.351 3.420 20 10 CGCDRN [O-]c1c(C[NH2+][C@@]23C[C@@H]2CCCC3)ccc(F)c1F ZINC000703296563 799921533 /nfs/dbraw/zinc/92/15/33/799921533.db2.gz UMBQYAJPZSOXFS-HZMBPMFUSA-N 0 0 253.292 3.093 20 10 CGCDRN Cc1nc(C)c(C[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703341364 799922810 /nfs/dbraw/zinc/92/28/10/799922810.db2.gz OQWNNBPHTFHSTL-UHFFFAOYSA-N 0 0 284.331 3.034 20 10 CGCDRN CC(C)OC1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000703800331 799929621 /nfs/dbraw/zinc/92/96/21/799929621.db2.gz GLBDXECZWDRLKB-UHFFFAOYSA-N 0 0 281.371 3.357 20 10 CGCDRN CCSCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708465180 799988524 /nfs/dbraw/zinc/98/85/24/799988524.db2.gz DONIPXVNHZEWRX-VIFPVBQESA-N 0 0 275.364 3.292 20 10 CGCDRN C[C@@H](Cc1cccs1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708548701 799991558 /nfs/dbraw/zinc/99/15/58/799991558.db2.gz IMBDUHYHYLTGCW-VIFPVBQESA-N 0 0 283.343 3.453 20 10 CGCDRN C[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715704533 800144709 /nfs/dbraw/zinc/14/47/09/800144709.db2.gz XAEZZYVUBXQXFL-QMMMGPOBSA-N 0 0 288.160 3.278 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccc(F)cc1[O-] ZINC000717274611 800199139 /nfs/dbraw/zinc/19/91/39/800199139.db2.gz SAMUZXVHLVROTG-DGCLKSJQSA-N 0 0 281.371 3.387 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1CCC=CCC1 ZINC000718052286 800209198 /nfs/dbraw/zinc/20/91/98/800209198.db2.gz VJDBFDKLZHYRKN-UHFFFAOYSA-N 0 0 259.349 3.097 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722318072 800313206 /nfs/dbraw/zinc/31/32/06/800313206.db2.gz CAFUHOMCLNJMBP-GXTWGEPZSA-N 0 0 281.783 3.093 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723651551 800334693 /nfs/dbraw/zinc/33/46/93/800334693.db2.gz UHLVZFSWMACFSS-MRVWCRGKSA-N 0 0 295.810 3.340 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC(F)(C3CC3)CC2)cc1 ZINC000724834263 800367511 /nfs/dbraw/zinc/36/75/11/800367511.db2.gz IPEMYMAOJSQLFK-UHFFFAOYSA-N 0 0 277.343 3.015 20 10 CGCDRN Cc1cncc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756782213 800380427 /nfs/dbraw/zinc/38/04/27/800380427.db2.gz AFHXQCQTWRPTJW-JTQLQIEISA-N 0 0 278.302 3.225 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1CSC1 ZINC000829325176 800485342 /nfs/dbraw/zinc/48/53/42/800485342.db2.gz RZUQVQXQLMQUMB-UHFFFAOYSA-N 0 0 278.204 3.152 20 10 CGCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000850379327 800517924 /nfs/dbraw/zinc/51/79/24/800517924.db2.gz LAVGVWGTIGMQRD-ZJUUUORDSA-N 0 0 287.762 3.232 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccns1)c1c([O-])cccc1F ZINC000886643277 800545847 /nfs/dbraw/zinc/54/58/47/800545847.db2.gz PXHBGOJQTHTYGK-DTWKUNHWSA-N 0 0 266.341 3.400 20 10 CGCDRN c1nc([C@H]2CCCN2Cc2ccc(N3CCCC3)cc2)no1 ZINC001116443096 802349819 /nfs/dbraw/zinc/34/98/19/802349819.db2.gz FRJGWSOCWJCWTD-MRXNPFEDSA-N 0 0 298.390 3.007 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC001120071951 802732914 /nfs/dbraw/zinc/73/29/14/802732914.db2.gz PRUJKQJMVSANEK-AWEZNQCLSA-N 0 0 299.773 3.376 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@]1(F)Cl ZINC001181667663 810064834 /nfs/dbraw/zinc/06/48/34/810064834.db2.gz YAIAPRXWVJMNJV-UKRRQHHQSA-N 0 0 298.789 3.026 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC001204992392 812814595 /nfs/dbraw/zinc/81/45/95/812814595.db2.gz CBFBMFVPJGKKJH-HNNXBMFYSA-N 0 0 297.345 3.061 20 10 CGCDRN Cc1ccccc1[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001124480700 803026864 /nfs/dbraw/zinc/02/68/64/803026864.db2.gz UOQNUKZDFMHSKH-HNNXBMFYSA-N 0 0 296.414 3.481 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCC1CC1 ZINC001124622297 803031556 /nfs/dbraw/zinc/03/15/56/803031556.db2.gz PZPLREZUNCPRQN-UHFFFAOYSA-N 0 0 286.419 3.435 20 10 CGCDRN Cc1ccc(-c2ccc3ccc(=O)n(C)c3c2)c(N)c1 ZINC001244393435 803341672 /nfs/dbraw/zinc/34/16/72/803341672.db2.gz DINFLPBNAZVGJV-UHFFFAOYSA-N 0 0 264.328 3.096 20 10 CGCDRN CC(C)c1ccc(-c2ccn(C)c(=O)c2)c(Cl)n1 ZINC001245101884 803643758 /nfs/dbraw/zinc/64/37/58/803643758.db2.gz AJRJSRNEHJFIIH-UHFFFAOYSA-N 0 0 262.740 3.224 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cccc(Cl)c1N ZINC001245181056 803658899 /nfs/dbraw/zinc/65/88/99/803658899.db2.gz XUWITFKEXGNQTQ-UHFFFAOYSA-N 0 0 257.724 3.476 20 10 CGCDRN Cn1ccc2c1ccnc2-c1c[nH]c2ncc(F)cc12 ZINC001245424939 803733948 /nfs/dbraw/zinc/73/39/48/803733948.db2.gz BKQVXHXYSXBVDI-UHFFFAOYSA-N 0 0 266.279 3.256 20 10 CGCDRN Oc1cccc(F)c1CN1CCCCC(F)(F)C1 ZINC001137831919 803778627 /nfs/dbraw/zinc/77/86/27/803778627.db2.gz SILFLLYTWPZOER-UHFFFAOYSA-N 0 0 259.271 3.153 20 10 CGCDRN [O-]c1cccc(F)c1C[NH+]1CCc2ccccc2CC1 ZINC001137837665 803779103 /nfs/dbraw/zinc/77/91/03/803779103.db2.gz QGINQVRLPYOBNR-UHFFFAOYSA-N 0 0 271.335 3.132 20 10 CGCDRN COc1ccc2c(c1)CN(Cc1c(O)cccc1F)C2 ZINC001137837928 803781353 /nfs/dbraw/zinc/78/13/53/803781353.db2.gz ZPXNXIJKBUPINA-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN Cc1cc(CN2C[C@H]3CC[C@@H]2CO3)c(C)n1-c1ccccc1 ZINC001137859008 803787625 /nfs/dbraw/zinc/78/76/25/803787625.db2.gz FCESLXSWRGBEQF-RTBURBONSA-N 0 0 296.414 3.457 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001138127657 803862888 /nfs/dbraw/zinc/86/28/88/803862888.db2.gz KCEDSDYXDSLSGN-SNVBAGLBSA-N 0 0 259.271 3.008 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138215543 803874897 /nfs/dbraw/zinc/87/48/97/803874897.db2.gz JGTZKQZVAQQCMX-OAHLLOKOSA-N 0 0 286.419 3.088 20 10 CGCDRN Cc1c(CN2CCC(=O)C[C@H]2C)c2ccccc2n1C ZINC001138252777 803882548 /nfs/dbraw/zinc/88/25/48/803882548.db2.gz USAOYFGWQHMZPJ-GFCCVEGCSA-N 0 0 270.376 3.040 20 10 CGCDRN Nc1ccc(N(CCO)c2cc(Cl)nc(Cl)c2)cc1 ZINC001212094530 814975473 /nfs/dbraw/zinc/97/54/73/814975473.db2.gz TXINTUSREUGBGV-UHFFFAOYSA-N 0 0 298.173 3.101 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CCCOC2)CC1 ZINC001139687320 804254391 /nfs/dbraw/zinc/25/43/91/804254391.db2.gz LMVMHQOWVBYJJE-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN Cc1c(F)ccc(-c2noc(-c3csnn3)n2)c1Cl ZINC001212362725 815010792 /nfs/dbraw/zinc/01/07/92/815010792.db2.gz YFSGAMALDKXJKP-UHFFFAOYSA-N 0 0 296.714 3.356 20 10 CGCDRN Oc1ccc(F)cc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001140058439 804364911 /nfs/dbraw/zinc/36/49/11/804364911.db2.gz ZBLRMMAOEHSYFL-LBPRGKRZSA-N 0 0 277.261 3.101 20 10 CGCDRN Oc1ccc(F)cc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001140057856 804365853 /nfs/dbraw/zinc/36/58/53/804365853.db2.gz 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ZINC001201996179 811992869 /nfs/dbraw/zinc/99/28/69/811992869.db2.gz VOOREOYQGHMSJL-UHFFFAOYSA-N 0 0 286.306 3.122 20 10 CGCDRN COc1cccc(NCc2c(O)ccc(Cl)c2F)n1 ZINC001203097343 812239292 /nfs/dbraw/zinc/23/92/92/812239292.db2.gz CBBCRAALEKWEKZ-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203561366 812393079 /nfs/dbraw/zinc/39/30/79/812393079.db2.gz SOVLWPBHSDPXJT-MRXNPFEDSA-N 0 0 281.355 3.097 20 10 CGCDRN O=C1CCN(Cc2cc(Cl)ccc2O)[C@@H]2CCCC[C@@H]12 ZINC001203648149 812416024 /nfs/dbraw/zinc/41/60/24/812416024.db2.gz FCLWVJSRWISUNA-ZIAGYGMSSA-N 0 0 293.794 3.379 20 10 CGCDRN C[C@H]1CCN(Cc2ccc(N(C)C)cc2)CC1(F)F ZINC001203931180 812494786 /nfs/dbraw/zinc/49/47/86/812494786.db2.gz NZTMEGNRNYMGOF-LBPRGKRZSA-N 0 0 268.351 3.230 20 10 CGCDRN Cc1cc(F)ncc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001204002590 812516034 /nfs/dbraw/zinc/51/60/34/812516034.db2.gz QEVDNICYCMEGGK-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN COc1cc(C[N@@H+]2CCCC3(CCCC3)C2)cc(O)c1O ZINC001204341904 812615913 /nfs/dbraw/zinc/61/59/13/812615913.db2.gz ILASOQLSKBONJU-UHFFFAOYSA-N 0 0 291.391 3.263 20 10 CGCDRN Oc1cc(Cl)ccc1CNc1ccc(F)nc1 ZINC001205129994 812880649 /nfs/dbraw/zinc/88/06/49/812880649.db2.gz GYOGAEPEAOWPAZ-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN COc1cc(C)cc(CN2CCc3c2cccc3F)c1O ZINC001205252964 812918177 /nfs/dbraw/zinc/91/81/77/812918177.db2.gz CJOQXBGTLLDKMB-UHFFFAOYSA-N 0 0 287.334 3.411 20 10 CGCDRN CC[C@@H](C)[C@@H](CN(C)c1ccc(OC)c(F)c1)OC ZINC001205360470 812971466 /nfs/dbraw/zinc/97/14/66/812971466.db2.gz ZUXSEIUWHOZUPE-IAQYHMDHSA-N 0 0 269.360 3.332 20 10 CGCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cnoc2C)n1C ZINC001242599984 823055286 /nfs/dbraw/zinc/05/52/86/823055286.db2.gz FHFJOLBKMWPPNT-UHFFFAOYSA-N 0 0 299.330 3.022 20 10 CGCDRN CN(C)c1cc(F)c(CN2CC(CC3CC3)C2)cc1F ZINC001206779283 813434879 /nfs/dbraw/zinc/43/48/79/813434879.db2.gz FEFLPIKFLWYTCF-UHFFFAOYSA-N 0 0 280.362 3.263 20 10 CGCDRN Cc1cccc(N)c1Nc1ccc2c(c1)OCCN2 ZINC001209767997 814134925 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Cc1ccc(CN2CCOc3cccc(F)c3C2)c(O)c1 ZINC001462145883 937620556 /nfs/dbraw/zinc/62/05/56/937620556.db2.gz HZQJXDCXPDUNLK-UHFFFAOYSA-N 0 0 287.334 3.234 20 10 CGCDRN CC(C)[C@@H](Cc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC001303633530 932830076 /nfs/dbraw/zinc/83/00/76/932830076.db2.gz PSIYKSIWUUWPMV-CQSZACIVSA-N 0 0 289.400 3.451 20 10 CGCDRN C[C@H](C(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC001303879322 932836015 /nfs/dbraw/zinc/83/60/15/932836015.db2.gz XYHIIYKQZBBKQF-JTQLQIEISA-N 0 0 291.297 3.090 20 10 CGCDRN COc1cc(N(C)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC001306944631 932899170 /nfs/dbraw/zinc/89/91/70/932899170.db2.gz DHNBMFFXGUCBNK-UHFFFAOYSA-N 0 0 294.351 3.238 20 10 CGCDRN Cc1ccc(NCc2cc(F)cc(F)c2O)c(N(C)C)n1 ZINC001308356549 933100200 /nfs/dbraw/zinc/10/02/00/933100200.db2.gz GKYIEEDFQSZQRD-UHFFFAOYSA-N 0 0 293.317 3.052 20 10 CGCDRN CN(C)c1ccc(/C=C\CN(CCO)c2ccccc2)cc1 ZINC001308694279 933160248 /nfs/dbraw/zinc/16/02/48/933160248.db2.gz BIWGYIZHPBZYKR-SREVYHEPSA-N 0 0 296.414 3.265 20 10 CGCDRN 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CGCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001560834383 938278278 /nfs/dbraw/zinc/27/82/78/938278278.db2.gz MCOKBSBSEHPYIM-OLZOCXBDSA-N 0 0 297.345 3.060 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCOC[C@@H]1C1CCC1 ZINC001560900137 938282742 /nfs/dbraw/zinc/28/27/42/938282742.db2.gz LYRFDMPLQRJOIN-CQSZACIVSA-N 0 0 281.783 3.047 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC001561015953 938289747 /nfs/dbraw/zinc/28/97/47/938289747.db2.gz LECWDYHYKCATIU-UHFFFAOYSA-N 0 0 297.333 3.007 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C1=CCOCC1 ZINC001561049383 938291796 /nfs/dbraw/zinc/29/17/96/938291796.db2.gz UETVDDDEIBKKIP-UHFFFAOYSA-N 0 0 297.345 3.133 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2)c1 ZINC001562162431 938298155 /nfs/dbraw/zinc/29/81/55/938298155.db2.gz LVJAEFZKNJGELM-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)C(F)(F)F ZINC001562644622 938299758 /nfs/dbraw/zinc/29/97/58/938299758.db2.gz ZOJUUOCSOQPLMN-KCJUWKMLSA-N 0 0 290.285 3.093 20 10 CGCDRN CCc1cc(C)nc(NCc2ccc(N(C)C)cc2C)n1 ZINC000766081589 957842291 /nfs/dbraw/zinc/84/22/91/957842291.db2.gz GWECTPYCCWTHJD-UHFFFAOYSA-N 0 0 284.407 3.334 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001594361455 958452659 /nfs/dbraw/zinc/45/26/59/958452659.db2.gz PUOIXXOUYDKNQG-JKSUJKDBSA-N 0 0 297.354 3.103 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC/C=C\c2ccccc2)c1 ZINC001565414774 960773473 /nfs/dbraw/zinc/77/34/73/960773473.db2.gz ASQCKBNOXAJQDA-YVMONPNESA-N 0 0 296.370 3.213 20 10 CGCDRN Cc1ccc(C(=O)N2CCCCC[C@@H]2C(C)C)c(O)c1O ZINC001566936959 961057007 /nfs/dbraw/zinc/05/70/07/961057007.db2.gz ZWYUHOKSSOZBBF-CQSZACIVSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1coc2ccc(NC(=O)c3cccc(O)c3O)cc12 ZINC001567812331 961431156 /nfs/dbraw/zinc/43/11/56/961431156.db2.gz SWKIABRCAWKYSM-UHFFFAOYSA-N 0 0 283.283 3.405 20 10 CGCDRN C=C/C=C\CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001570418119 961963960 /nfs/dbraw/zinc/96/39/60/961963960.db2.gz GNNVOELBMOUSRW-LZNQSLFOSA-N 0 0 286.419 3.241 20 10 CGCDRN C[C@H]1COc2ccccc2[C@@H]1OC(=O)Cc1ccc(N)cc1 ZINC001576862901 962491741 /nfs/dbraw/zinc/49/17/41/962491741.db2.gz XLYCLGKPLNPOQW-KPZWWZAWSA-N 0 0 297.354 3.124 20 10 CGCDRN COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC001579316008 962620859 /nfs/dbraw/zinc/62/08/59/962620859.db2.gz QKMVHNOETDPMIB-LLVKDONJSA-N 0 0 285.347 3.160 20 10 CGCDRN Nc1ccc(NC(=O)c2ncc(Cc3ccccc3)o2)cc1 ZINC001580449948 962721153 /nfs/dbraw/zinc/72/11/53/962721153.db2.gz YGXJFEWOMBTFAG-UHFFFAOYSA-N 0 0 293.326 3.100 20 10 CGCDRN Nc1ccc(OC(=O)C(F)(F)Cc2ccccc2)cc1 ZINC001580449544 962724152 /nfs/dbraw/zinc/72/41/52/962724152.db2.gz NFMCTSMZDHDEKK-UHFFFAOYSA-N 0 0 277.270 3.052 20 10 CGCDRN C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1O ZINC001587446903 963194673 /nfs/dbraw/zinc/19/46/73/963194673.db2.gz BQVOPAMISUGGMO-LBPRGKRZSA-N 0 0 287.334 3.341 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(Cl)n1 ZINC001587446999 963195276 /nfs/dbraw/zinc/19/52/76/963195276.db2.gz GIPATCSEOBRFHT-SNVBAGLBSA-N 0 0 290.750 3.240 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(C(=O)[O-])ccc1O ZINC001592707330 979187794 /nfs/dbraw/zinc/18/77/94/979187794.db2.gz ZDABFRRDGLVELZ-DTWKUNHWSA-N 0 0 287.306 3.032 20 10 CGCDRN CCc1cccc(C[NH2+]C(CC)(CC)CC(=O)[O-])c1O ZINC001597587267 988411261 /nfs/dbraw/zinc/41/12/61/988411261.db2.gz VIWGKEOJSONMLD-UHFFFAOYSA-N 0 0 279.380 3.078 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593224846 994342912 /nfs/dbraw/zinc/34/29/12/994342912.db2.gz RTZMHYUMHFRPJK-QMTHXVAHSA-N 0 0 277.364 3.320 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593240701 994430752 /nfs/dbraw/zinc/43/07/52/994430752.db2.gz RNXUWHTVKRBSDK-GHMZBOCLSA-N 0 0 279.380 3.423 20 10 CGCDRN Cc1ccc(C)c(N(C)C(=O)/C=C/c2cccnc2)c1 ZINC000049317865 345073118 /nfs/dbraw/zinc/07/31/18/345073118.db2.gz ACOSUZKFZKHAMC-CMDGGOBGSA-N 0 0 266.344 3.375 20 10 CGCDRN CN(C(=O)/C=C/c1cnccn1)c1cccc2ccccc21 ZINC000065845292 345278976 /nfs/dbraw/zinc/27/89/76/345278976.db2.gz DDBZOTDSSZHBDN-MDZDMXLPSA-N 0 0 289.338 3.306 20 10 CGCDRN Cc1cccc2c1ncnc2N(C)Cc1ccccc1O ZINC000089635516 345772289 /nfs/dbraw/zinc/77/22/89/345772289.db2.gz PVYYDZQFTZJXMR-UHFFFAOYSA-N 0 0 279.343 3.280 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CC(F)F ZINC000708516668 799989711 /nfs/dbraw/zinc/98/97/11/799989711.db2.gz JVJCNBZHXAOEMT-SSDOTTSWSA-N 0 0 265.250 3.051 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1cccnc1C ZINC000493363112 244148037 /nfs/dbraw/zinc/14/80/37/244148037.db2.gz YPASKBPHDWQZMV-KTKRTIGZSA-N 0 0 281.359 3.160 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)NCc1ccccc1O ZINC000075308755 369903255 /nfs/dbraw/zinc/90/32/55/369903255.db2.gz LPWIWDJWTNQQTN-RYUDHWBXSA-N 0 0 264.369 3.016 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421542806 371558207 /nfs/dbraw/zinc/55/82/07/371558207.db2.gz XBYDJMHJFDMRFI-UGSOOPFHSA-N 0 0 282.387 3.293 20 10 CGCDRN COc1ccc(O)c([C@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000287313024 371638398 /nfs/dbraw/zinc/63/83/98/371638398.db2.gz LKDABDACJCJETJ-JGVFFNPUSA-N 0 0 263.259 3.002 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000028329400 541857470 /nfs/dbraw/zinc/85/74/70/541857470.db2.gz VKOPOJDOCYKJGZ-UHFFFAOYSA-N 0 0 286.400 3.278 20 10 CGCDRN Cc1nnc([C@H](C)NCc2ccc(N(C)C)c(C)c2)s1 ZINC000294680726 372668538 /nfs/dbraw/zinc/66/85/38/372668538.db2.gz SOEIZNDAWJAWGH-NSHDSACASA-N 0 0 290.436 3.072 20 10 CGCDRN Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296261766 373072258 /nfs/dbraw/zinc/07/22/58/373072258.db2.gz BSIOMTNYKCYBKS-FUHWJXTLSA-N 0 0 297.398 3.320 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000296604015 373193246 /nfs/dbraw/zinc/19/32/46/373193246.db2.gz VVPPYQFRCZZLQB-CWSCBRNRSA-N 0 0 287.350 3.382 20 10 CGCDRN CC[C@H](CC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297239930 373261544 /nfs/dbraw/zinc/26/15/44/373261544.db2.gz PTFRPFINLPPNAO-OAHLLOKOSA-N 0 0 282.387 3.469 20 10 CGCDRN CCC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298303498 373294428 /nfs/dbraw/zinc/29/44/28/373294428.db2.gz DLHWBTHOYUFBEF-UHFFFAOYSA-N 0 0 286.375 3.284 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccco1 ZINC000298360376 373302894 /nfs/dbraw/zinc/30/28/94/373302894.db2.gz NIOCGOUERCJKSA-UHFFFAOYSA-N 0 0 286.375 3.396 20 10 CGCDRN CC(C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298727721 373393037 /nfs/dbraw/zinc/39/30/37/373393037.db2.gz MZECWOVHGLNPKM-UHFFFAOYSA-N 0 0 277.412 3.081 20 10 CGCDRN COc1cccc(CNc2ncccc2C(F)(F)F)c1O ZINC000301837346 373809509 /nfs/dbraw/zinc/80/95/09/373809509.db2.gz VYBLHQUPJLLQFC-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN CC(C)c1nnc(NCc2ccc(N(C)C)c(F)c2)s1 ZINC000301712659 373799112 /nfs/dbraw/zinc/79/91/12/373799112.db2.gz FGJXRXFKOFMCMN-UHFFFAOYSA-N 0 0 294.399 3.479 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(C3CC3)s2)cc1F ZINC000301724499 373801128 /nfs/dbraw/zinc/80/11/28/373801128.db2.gz LSOVBGTVPVKUEC-UHFFFAOYSA-N 0 0 292.383 3.233 20 10 CGCDRN Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(O)c1O ZINC000179541140 373882658 /nfs/dbraw/zinc/88/26/58/373882658.db2.gz GEOHXFXVWUQTLU-UHFFFAOYSA-N 0 0 297.354 3.463 20 10 CGCDRN CCn1cc(CN(C)c2ccc(OC)c(Cl)c2)cn1 ZINC000180771142 374045203 /nfs/dbraw/zinc/04/52/03/374045203.db2.gz AJHXMCOSQMBJII-UHFFFAOYSA-N 0 0 279.771 3.201 20 10 CGCDRN CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000182520217 374285253 /nfs/dbraw/zinc/28/52/53/374285253.db2.gz FIVYULKBXOZDCN-OKILXGFUSA-N 0 0 291.391 3.176 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C)[C@@H]1C ZINC000472232352 375012847 /nfs/dbraw/zinc/01/28/47/375012847.db2.gz XDARZEIBOWGACM-JSGCOSHPSA-N 0 0 299.418 3.427 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC12CCC2 ZINC000472243120 375012865 /nfs/dbraw/zinc/01/28/65/375012865.db2.gz QSVDOGLMZQEBTI-UHFFFAOYSA-N 0 0 297.402 3.325 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCC[C@@H]1CCCO1 ZINC000189312704 375364791 /nfs/dbraw/zinc/36/47/91/375364791.db2.gz XPUFEONIJRRYBE-HNNXBMFYSA-N 0 0 261.365 3.235 20 10 CGCDRN COc1cc(C[N@H+](Cc2ccccc2O)C2CC2)ccc1O ZINC000190014614 375468526 /nfs/dbraw/zinc/46/85/26/375468526.db2.gz BPTZFHOAGGHRIH-UHFFFAOYSA-N 0 0 299.370 3.271 20 10 CGCDRN COC(=O)[C@@H](NCc1ccccc1O)c1cc(C)cc(C)c1 ZINC000189624107 375425972 /nfs/dbraw/zinc/42/59/72/375425972.db2.gz QKCAEKYONPPEHH-KRWDZBQOSA-N 0 0 299.370 3.013 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000191182088 375590262 /nfs/dbraw/zinc/59/02/62/375590262.db2.gz NCMUZADMLSWBJC-ZJUUUORDSA-N 0 0 278.302 3.477 20 10 CGCDRN CC[C@@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191394252 375622638 /nfs/dbraw/zinc/62/26/38/375622638.db2.gz WULYMHMXGTWRKQ-CYBMUJFWSA-N 0 0 262.397 3.147 20 10 CGCDRN C[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192866931 375796731 /nfs/dbraw/zinc/79/67/31/375796731.db2.gz SDIXGEGARDYZAY-HTQZYQBOSA-N 0 0 278.179 3.121 20 10 CGCDRN COCCC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000230943340 376548539 /nfs/dbraw/zinc/54/85/39/376548539.db2.gz LODPWYHDKCBVRD-UHFFFAOYSA-N 0 0 271.788 3.198 20 10 CGCDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2cccnc2)c1 ZINC000255065501 377729241 /nfs/dbraw/zinc/72/92/41/377729241.db2.gz ACOSUZKFZKHAMC-HJWRWDBZSA-N 0 0 266.344 3.375 20 10 CGCDRN CCC[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000267788998 378044918 /nfs/dbraw/zinc/04/49/18/378044918.db2.gz UWGCEIDGCAFZBP-GDBMZVCRSA-N 0 0 289.423 3.083 20 10 CGCDRN C[C@H]1CC/C(=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000267859588 378046799 /nfs/dbraw/zinc/04/67/99/378046799.db2.gz NPEHLZHTWIJPJB-AOHITCTBSA-N 0 0 286.419 3.457 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncc(Cl)cn1 ZINC000269341986 378209772 /nfs/dbraw/zinc/20/97/72/378209772.db2.gz HJLWYVSGXLMZGN-UHFFFAOYSA-N 0 0 277.755 3.252 20 10 CGCDRN COC(=O)[C@@H](c1ccccc1)N(C)Cc1cccc(C)c1O ZINC000271763895 378502557 /nfs/dbraw/zinc/50/25/57/378502557.db2.gz FHFAMAFVYNHWJV-MRXNPFEDSA-N 0 0 299.370 3.047 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271727460 378502613 /nfs/dbraw/zinc/50/26/13/378502613.db2.gz LZXWNKNWHNSYQR-GFCCVEGCSA-N 0 0 291.782 3.148 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NOC1CCCC1 ZINC000271760915 378503054 /nfs/dbraw/zinc/50/30/54/378503054.db2.gz VLBLTALQXNQHCL-UHFFFAOYSA-N 0 0 292.379 3.188 20 10 CGCDRN COCC[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc(C)o1 ZINC000272667250 378686088 /nfs/dbraw/zinc/68/60/88/378686088.db2.gz SJDBVRNRPGPNIV-AWEZNQCLSA-N 0 0 293.338 3.300 20 10 CGCDRN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)[nH]n1 ZINC000273354490 378742290 /nfs/dbraw/zinc/74/22/90/378742290.db2.gz CJILGRNWOCHUDT-FZMZJTMJSA-N 0 0 287.407 3.322 20 10 CGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(C)nc2)c1 ZINC000273470903 378748828 /nfs/dbraw/zinc/74/88/28/378748828.db2.gz JUEWRSLHKMRZTN-LLVKDONJSA-N 0 0 286.331 3.055 20 10 CGCDRN CC[C@H](Nc1cnn(CC)c1)c1ccc(F)cc1O ZINC000286172557 380170778 /nfs/dbraw/zinc/17/07/78/380170778.db2.gz PYHVGVCICMFHHP-ZDUSSCGKSA-N 0 0 263.316 3.311 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000285532762 380150863 /nfs/dbraw/zinc/15/08/63/380150863.db2.gz FOOBYXNTKIZUDO-NVXWUHKLSA-N 0 0 289.350 3.306 20 10 CGCDRN Cc1nn(C)cc1COc1ccc2c(c1)c(C)c(C)n2C ZINC000421197502 380871110 /nfs/dbraw/zinc/87/11/10/380871110.db2.gz KUVWDIZZBISTGY-UHFFFAOYSA-N 0 0 283.375 3.416 20 10 CGCDRN C/C(=C/c1nccn1Cc1ccccc1)c1cnccn1 ZINC000358212425 381295784 /nfs/dbraw/zinc/29/57/84/381295784.db2.gz QMNAOKCHOFMYFU-KAMYIIQDSA-N 0 0 276.343 3.282 20 10 CGCDRN CCc1ccc(CNC(=O)C2=CC(=O)CS2)s1 ZINC000732270878 572456162 /nfs/dbraw/zinc/45/61/62/572456162.db2.gz WNSGKXLFFPTSSN-UHFFFAOYSA-N 0 0 267.375 3.008 20 10 CGCDRN COc1cccc(CN2CCC[C@@H]2c2nccs2)c1O ZINC000374303778 392675553 /nfs/dbraw/zinc/67/55/53/392675553.db2.gz WZDIVSNIHBUBPT-GFCCVEGCSA-N 0 0 290.388 3.194 20 10 CGCDRN Oc1ccccc1CN1CCO[C@H](c2ccccc2F)C1 ZINC000179568638 392703955 /nfs/dbraw/zinc/70/39/55/392703955.db2.gz BLGQEIOCQQWUBM-KRWDZBQOSA-N 0 0 287.334 3.105 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCCO[C@@H]1CCCCO1 ZINC000194718165 392935385 /nfs/dbraw/zinc/93/53/85/392935385.db2.gz FQLBSQHMRWKJHR-QGZVFWFLSA-N 0 0 291.391 3.209 20 10 CGCDRN Oc1ccccc1CNc1cc(Cl)nc(C2CC2)n1 ZINC000217999160 392996582 /nfs/dbraw/zinc/99/65/82/392996582.db2.gz QMGLMHOSXFDCAW-UHFFFAOYSA-N 0 0 275.739 3.325 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[C@@H]1C ZINC000346277047 393081799 /nfs/dbraw/zinc/08/17/99/393081799.db2.gz UXVGYNXTAPVENN-FZMZJTMJSA-N 0 0 285.391 3.084 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000062051225 397637469 /nfs/dbraw/zinc/63/74/69/397637469.db2.gz YQMIZDYPHQVGAH-CYBMUJFWSA-N 0 0 256.349 3.255 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000071407641 176156264 /nfs/dbraw/zinc/15/62/64/176156264.db2.gz FOBMMQTYNCXQOI-UHFFFAOYSA-N 0 0 258.277 3.221 20 10 CGCDRN O=[N+]([O-])c1cnc(Sc2nccs2)c(Cl)c1 ZINC000301285567 227499967 /nfs/dbraw/zinc/49/99/67/227499967.db2.gz QPCZODJTSDIGCE-UHFFFAOYSA-N 0 0 273.726 3.251 20 10 CGCDRN Cc1cccc2c(NCCc3ccc(O)c(O)c3)ncnc12 ZINC000301714344 227649892 /nfs/dbraw/zinc/64/98/92/227649892.db2.gz JEWHADGJXLYXTO-UHFFFAOYSA-N 0 0 295.342 3.004 20 10 CGCDRN CC/C=C/CNC(=O)N(CCC)Cc1ccccc1O ZINC000298195072 260147493 /nfs/dbraw/zinc/14/74/93/260147493.db2.gz SRYNQIBPWVWRCL-VMPITWQZSA-N 0 0 276.380 3.280 20 10 CGCDRN CN(Cc1ccnn1C)Cc1ccc(N2CCCCC2)cc1 ZINC000155240521 261099398 /nfs/dbraw/zinc/09/93/98/261099398.db2.gz PYHVEXOENJZAAM-UHFFFAOYSA-N 0 0 298.434 3.042 20 10 CGCDRN Cn1cc(C(=O)CSc2ncc(C(C)(C)C)s2)cn1 ZINC000164016724 261337348 /nfs/dbraw/zinc/33/73/48/261337348.db2.gz VYBICZUTEUEWAQ-UHFFFAOYSA-N 0 0 295.433 3.149 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc[nH]c1C ZINC000175872747 261627041 /nfs/dbraw/zinc/62/70/41/261627041.db2.gz XYIOTHANQDWMGE-UHFFFAOYSA-N 0 0 285.391 3.051 20 10 CGCDRN Cc1ccc(C(=O)N(C)C2CCC(C)CC2)c(O)c1O ZINC000179413717 261784776 /nfs/dbraw/zinc/78/47/76/261784776.db2.gz PIRDFKLYDZQKHI-UHFFFAOYSA-N 0 0 277.364 3.057 20 10 CGCDRN Cc1scc(C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000179649095 261806762 /nfs/dbraw/zinc/80/67/62/261806762.db2.gz IUNFQOXSTSZWHX-UHFFFAOYSA-N 0 0 288.416 3.361 20 10 CGCDRN COc1ccc(CN(C)c2ccc(OC)c(F)c2)cc1O ZINC000180773677 261873828 /nfs/dbraw/zinc/87/38/28/261873828.db2.gz NXNFEFPCOTWNBB-UHFFFAOYSA-N 0 0 291.322 3.185 20 10 CGCDRN CCCCC[C@@H](CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000182528319 261942078 /nfs/dbraw/zinc/94/20/78/261942078.db2.gz DKAYPTHQZBKOBW-CYBMUJFWSA-N 0 0 279.380 3.321 20 10 CGCDRN CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000182904018 261955470 /nfs/dbraw/zinc/95/54/70/261955470.db2.gz IBRLUJANFIDXRZ-ZIAGYGMSSA-N 0 0 276.424 3.393 20 10 CGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186174605 262082437 /nfs/dbraw/zinc/08/24/37/262082437.db2.gz PYCIWTLVJFVNDS-NHYWBVRUSA-N 0 0 283.387 3.225 20 10 CGCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186174640 262082768 /nfs/dbraw/zinc/08/27/68/262082768.db2.gz PYCIWTLVJFVNDS-ABAIWWIYSA-N 0 0 283.387 3.225 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(C)n1C(C)C ZINC000299561246 263247468 /nfs/dbraw/zinc/24/74/68/263247468.db2.gz NKDLADKZBKITDD-UHFFFAOYSA-N 0 0 286.375 3.321 20 10 CGCDRN Cc1cccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000129217426 264321056 /nfs/dbraw/zinc/32/10/56/264321056.db2.gz WEESNASEUJUIQO-OAHLLOKOSA-N 0 0 297.402 3.400 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1cccc(Cl)c1[O-] ZINC000287697750 288063878 /nfs/dbraw/zinc/06/38/78/288063878.db2.gz NMFOOTCSVZCOAX-RISCZKNCSA-N 0 0 285.815 3.493 20 10 CGCDRN CCCOc1ccc(CNc2nc(C(C)C)no2)c(O)c1 ZINC000181857873 327810547 /nfs/dbraw/zinc/81/05/47/327810547.db2.gz OMWPTXLQEWUGQO-UHFFFAOYSA-N 0 0 291.351 3.300 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(F)cc1[O-] ZINC000285508081 328247906 /nfs/dbraw/zinc/24/79/06/328247906.db2.gz AMCSMORKNJVGIX-WHOFXGATSA-N 0 0 281.371 3.123 20 10 CGCDRN CCN(C(=O)/C=C\c1cccnc1)c1cccc(F)c1 ZINC000255139081 326951063 /nfs/dbraw/zinc/95/10/63/326951063.db2.gz YZAIZRGDEJWODO-HJWRWDBZSA-N 0 0 270.307 3.287 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000368651631 328939607 /nfs/dbraw/zinc/93/96/07/328939607.db2.gz HUBGKBFDXGVISS-MZPVMMEZSA-N 0 0 293.382 3.387 20 10 CGCDRN Cc1cccc(CNc2cccc3c2OCC[C@@H]3O)c1O ZINC000185578471 329326690 /nfs/dbraw/zinc/32/66/90/329326690.db2.gz IRKFNOAZURDROA-HNNXBMFYSA-N 0 0 285.343 3.129 20 10 CGCDRN Cc1c2cc(OC[C@@H]3CCCO3)ccc2n(C)c1C ZINC000421204496 329805707 /nfs/dbraw/zinc/80/57/07/329805707.db2.gz SONAUYPYTNRQLU-AWEZNQCLSA-N 0 0 259.349 3.353 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3nccc(C)n3)cc12 ZINC000421197445 329807515 /nfs/dbraw/zinc/80/75/15/329807515.db2.gz KIHKIDNBTRJODD-UHFFFAOYSA-N 0 0 281.359 3.473 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000491732050 332313613 /nfs/dbraw/zinc/31/36/13/332313613.db2.gz GOQKIXRARNQAOB-SYTKJHMZSA-N 0 0 298.317 3.048 20 10 CGCDRN CN(C(=O)/C=C/c1cccnc1)c1ccc2cc[nH]c2c1 ZINC000492021850 332379642 /nfs/dbraw/zinc/37/96/42/332379642.db2.gz URAYQKKECWIFIP-QPJJXVBHSA-N 0 0 277.327 3.239 20 10 CGCDRN Cc1cnc([C@@H](C)NCc2ccc3c(c2)CCO3)s1 ZINC000134912742 334108164 /nfs/dbraw/zinc/10/81/64/334108164.db2.gz IMILHBOWRDGRGI-LLVKDONJSA-N 0 0 274.389 3.237 20 10 CGCDRN CC(C)CCC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000236691700 519637358 /nfs/dbraw/zinc/63/73/58/519637358.db2.gz MZUQZAMNHPYWGZ-UHFFFAOYSA-N 0 0 288.435 3.486 20 10 CGCDRN CC(C)c1ccoc1C(=O)NCc1ccccc1O ZINC000285291155 519849088 /nfs/dbraw/zinc/84/90/88/519849088.db2.gz NZAFLTOECGPCAW-UHFFFAOYSA-N 0 0 259.305 3.039 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CSC2CC2)cc1 ZINC000294397470 520898209 /nfs/dbraw/zinc/89/82/09/520898209.db2.gz JCQZTUIGWFWAIZ-UHFFFAOYSA-N 0 0 292.448 3.045 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)CC(=O)[O-])cc1 ZINC000277225010 520905859 /nfs/dbraw/zinc/90/58/59/520905859.db2.gz IEMYYRIXRZFLNB-CQSZACIVSA-N 0 0 292.423 3.123 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]C[C@](C)(CC)C(=O)[O-])cc1 ZINC000277901979 520907343 /nfs/dbraw/zinc/90/73/43/520907343.db2.gz FIGQIRIWGXYSSI-KRWDZBQOSA-N 0 0 292.423 3.123 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000277519398 520908561 /nfs/dbraw/zinc/90/85/61/520908561.db2.gz YRFKOXLRCFIVFN-HNNXBMFYSA-N 0 0 292.423 3.122 20 10 CGCDRN CCCC[C@H](CC)C(=O)NCCc1ccc(N)cc1 ZINC000040675678 521160059 /nfs/dbraw/zinc/16/00/59/521160059.db2.gz LOIFFOATSHWWOD-AWEZNQCLSA-N 0 0 262.397 3.144 20 10 CGCDRN CCN(Cc1cc(C)on1)c1ccc(OC)c(OC)c1 ZINC000299267334 521288390 /nfs/dbraw/zinc/28/83/90/521288390.db2.gz HXGGFJUBYSDWQQ-UHFFFAOYSA-N 0 0 276.336 3.027 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CSC ZINC000077626744 521688374 /nfs/dbraw/zinc/68/83/74/521688374.db2.gz NAEMWAWVWNTVGU-GFCCVEGCSA-N 0 0 296.436 3.065 20 10 CGCDRN CCSCC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273597376 521716506 /nfs/dbraw/zinc/71/65/06/521716506.db2.gz QXGACDJSUHUTHM-WDEREUQCSA-N 0 0 298.408 3.483 20 10 CGCDRN CC[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000040675621 521841928 /nfs/dbraw/zinc/84/19/28/521841928.db2.gz FYZLFLVTLJXJGQ-QGZVFWFLSA-N 0 0 282.387 3.121 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286277742 522922227 /nfs/dbraw/zinc/92/22/27/522922227.db2.gz VQJKVKVRKGBJEL-CVEARBPZSA-N 0 0 289.350 3.306 20 10 CGCDRN CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278214697 523029823 /nfs/dbraw/zinc/02/98/23/523029823.db2.gz KRGQBDFWYLIUIY-LBPRGKRZSA-N 0 0 294.351 3.074 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc[nH]c1 ZINC000068237821 523261790 /nfs/dbraw/zinc/26/17/90/523261790.db2.gz OXVAJAUHJDOVAV-UHFFFAOYSA-N 0 0 297.402 3.277 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccoc1C1CC1 ZINC000282744306 523384797 /nfs/dbraw/zinc/38/47/97/523384797.db2.gz NDHXFOPERJJBHI-UHFFFAOYSA-N 0 0 271.316 3.135 20 10 CGCDRN COc1ccc(N(Cc2ccno2)[C@H](C)C2CC2)cc1 ZINC000264674357 524369116 /nfs/dbraw/zinc/36/91/16/524369116.db2.gz ABNWNVKVWSSCQG-GFCCVEGCSA-N 0 0 272.348 3.488 20 10 CGCDRN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cccc(Cl)c1[O-] ZINC000289905116 525107624 /nfs/dbraw/zinc/10/76/24/525107624.db2.gz URCGLLJVKQUDQB-SWLSCSKDSA-N 0 0 294.826 3.104 20 10 CGCDRN Cc1ccccc1OCCCC(=O)NCc1ccccc1O ZINC000299619383 525284898 /nfs/dbraw/zinc/28/48/98/525284898.db2.gz ZIPJIMISKPMCIE-UHFFFAOYSA-N 0 0 299.370 3.176 20 10 CGCDRN Cc1ccccc1[C@H](C)N(C)C(=O)Cc1ccc(N)cc1 ZINC000269223795 525405378 /nfs/dbraw/zinc/40/53/78/525405378.db2.gz KRLVFQJIDUOXKY-AWEZNQCLSA-N 0 0 282.387 3.339 20 10 CGCDRN C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)cc1[O-] ZINC000062744990 525411111 /nfs/dbraw/zinc/41/11/11/525411111.db2.gz VNYZMEMQFCCXHV-SMDDNHRTSA-N 0 0 292.354 3.078 20 10 CGCDRN C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000280586212 525839022 /nfs/dbraw/zinc/83/90/22/525839022.db2.gz XDYBHXUWEOSTEK-DGCLKSJQSA-N 0 0 283.799 3.171 20 10 CGCDRN OCc1ccc(NCc2ccc(N3CCCCC3)cc2)nc1 ZINC000291550724 527634954 /nfs/dbraw/zinc/63/49/54/527634954.db2.gz MEFGTBDVSZDNBC-UHFFFAOYSA-N 0 0 297.402 3.176 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccc1C)c1cccnc1C ZINC000493048304 535657204 /nfs/dbraw/zinc/65/72/04/535657204.db2.gz DGFMMOOFCBVLPX-FPLPWBNLSA-N 0 0 281.359 3.160 20 10 CGCDRN CN(C(=O)/C=C/c1cncs1)c1cccc2ncccc21 ZINC000493352283 535938158 /nfs/dbraw/zinc/93/81/58/535938158.db2.gz LRGOEESCIIPQEN-BQYQJAHWSA-N 0 0 295.367 3.368 20 10 CGCDRN O=C1/C(=C/c2ccoc2)SC(=S)N1c1cccnc1 ZINC000727433098 571745701 /nfs/dbraw/zinc/74/57/01/571745701.db2.gz XEHOGKBTFSGDAS-WDZFZDKYSA-N 0 0 288.353 3.080 20 10 CGCDRN CCC/C=C\C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000729344766 571900197 /nfs/dbraw/zinc/90/01/97/571900197.db2.gz KPTMPZWFWONCDP-HJWRWDBZSA-N 0 0 274.408 3.457 20 10 CGCDRN CCN(CC)c1ccc(CN[C@H](C)c2nc(C)no2)cc1 ZINC000729684649 571929292 /nfs/dbraw/zinc/92/92/92/571929292.db2.gz VLPPENBGYMMGIN-GFCCVEGCSA-N 0 0 288.395 3.075 20 10 CGCDRN Cc1ccc(C[C@H](C)N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000738545946 572378677 /nfs/dbraw/zinc/37/86/77/572378677.db2.gz WHRSJMWEKZLMCA-LBPRGKRZSA-N 0 0 289.400 3.465 20 10 CGCDRN CCN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000731036026 572391172 /nfs/dbraw/zinc/39/11/72/572391172.db2.gz DQENJAPFDAFVGD-UHFFFAOYSA-N 0 0 290.407 3.484 20 10 CGCDRN CCOc1ccc(N(C)CC(=O)OCc2ccccc2)cc1 ZINC000739923816 572426572 /nfs/dbraw/zinc/42/65/72/572426572.db2.gz LXINBMQIDILQHB-UHFFFAOYSA-N 0 0 299.370 3.265 20 10 CGCDRN CC(C)c1nc(CCNC(=O)C2=CC(=O)CS2)cs1 ZINC000732282064 572458194 /nfs/dbraw/zinc/45/81/94/572458194.db2.gz IYJRJOFNQUUQDZ-UHFFFAOYSA-N 0 0 296.417 3.006 20 10 CGCDRN CC[C@@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000740932352 572469375 /nfs/dbraw/zinc/46/93/75/572469375.db2.gz HTZAGBAYBVXDAA-ZJUUUORDSA-N 0 0 253.367 3.152 20 10 CGCDRN CCS[C@H]1CCCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000732579813 572472352 /nfs/dbraw/zinc/47/23/52/572472352.db2.gz MIDRYUXZTPJOMZ-NSHDSACASA-N 0 0 285.434 3.202 20 10 CGCDRN C[C@H]1CCC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000726236886 572568106 /nfs/dbraw/zinc/56/81/06/572568106.db2.gz GBCYZFQWLQPELT-STQMWFEESA-N 0 0 276.380 3.018 20 10 CGCDRN Cc1ccc([C@H](C)C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000742487892 572588460 /nfs/dbraw/zinc/58/84/60/572588460.db2.gz LECPBOOZCRMXSF-ZDUSSCGKSA-N 0 0 286.375 3.074 20 10 CGCDRN CCC/C(C)=C\C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742952940 572626930 /nfs/dbraw/zinc/62/69/30/572626930.db2.gz VABMNNIPTVWDLP-QBFSEMIESA-N 0 0 288.391 3.224 20 10 CGCDRN CCCCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742953203 572626976 /nfs/dbraw/zinc/62/69/76/572626976.db2.gz ZGFCYFOTLVTFQA-UHFFFAOYSA-N 0 0 290.407 3.448 20 10 CGCDRN C[C@@H](C(=O)NCc1ccccc1O)c1cccc(Cl)c1 ZINC000743327368 572647214 /nfs/dbraw/zinc/64/72/14/572647214.db2.gz LUIYFJFWFOLISL-LLVKDONJSA-N 0 0 289.762 3.466 20 10 CGCDRN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)(C)C ZINC000734389636 572654865 /nfs/dbraw/zinc/65/48/65/572654865.db2.gz KVWVTXOFHFBCCO-CYBMUJFWSA-N 0 0 288.435 3.367 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)C(C)(C)C)c1 ZINC000734549330 572665477 /nfs/dbraw/zinc/66/54/77/572665477.db2.gz RXWGTJXJMLCGEH-WDEREUQCSA-N 0 0 279.380 3.260 20 10 CGCDRN CC(C)C(C)(C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000734942774 572692374 /nfs/dbraw/zinc/69/23/74/572692374.db2.gz PTVOTLPCBIPJCR-UHFFFAOYSA-N 0 0 295.402 3.126 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCSC ZINC000736072957 572767531 /nfs/dbraw/zinc/76/75/31/572767531.db2.gz XBDQEWYACGDKDT-UHFFFAOYSA-N 0 0 294.464 3.244 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736797986 572814151 /nfs/dbraw/zinc/81/41/51/572814151.db2.gz PIOBESPQXAMIJM-NSHDSACASA-N 0 0 285.343 3.085 20 10 CGCDRN CC1(C)C(C(=O)NCCCSc2nccs2)C1(C)C ZINC000746256087 572862682 /nfs/dbraw/zinc/86/26/82/572862682.db2.gz HGNXIDDLDDTOJH-UHFFFAOYSA-N 0 0 298.477 3.424 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000746403912 572870472 /nfs/dbraw/zinc/87/04/72/572870472.db2.gz SWFIHMQHNGAJJW-ZMSDIMECSA-N 0 0 286.419 3.286 20 10 CGCDRN CCN(Cc1ccc(C)cn1)c1ccc(OC)cc1 ZINC000747682056 572941144 /nfs/dbraw/zinc/94/11/44/572941144.db2.gz IDKDXOILBWQQSP-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN Cc1ccc2[nH]c(C(=O)NCc3ccccc3O)cc2c1 ZINC000748347341 572974665 /nfs/dbraw/zinc/97/46/65/572974665.db2.gz ZZFCHXITOCVEPK-UHFFFAOYSA-N 0 0 280.327 3.112 20 10 CGCDRN CCC[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000748609792 572981400 /nfs/dbraw/zinc/98/14/00/572981400.db2.gz XISBZLJDHXUKKV-ZDUSSCGKSA-N 0 0 262.397 3.195 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442117 629373888 /nfs/dbraw/zinc/37/38/88/629373888.db2.gz XVEYUOHXGNCNKB-OCAPTIKFSA-N 0 0 258.148 3.151 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1C(C)C ZINC000832898822 601894278 /nfs/dbraw/zinc/89/42/78/601894278.db2.gz LHOPURDHSHLDLB-QGZVFWFLSA-N 0 0 291.391 3.121 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1C ZINC000833746812 605519768 /nfs/dbraw/zinc/51/97/68/605519768.db2.gz IYPOGNKRQAGSOY-PBHICJAKSA-N 0 0 291.391 3.132 20 10 CGCDRN C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(N)cc1 ZINC000049570750 617617628 /nfs/dbraw/zinc/61/76/28/617617628.db2.gz YLUZASBOAIGAAX-NSHDSACASA-N 0 0 273.336 3.005 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cncs1 ZINC000811508107 617629603 /nfs/dbraw/zinc/62/96/03/617629603.db2.gz ABVJULCJSSEPOF-UHFFFAOYSA-N 0 0 274.389 3.495 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCc1cc[nH]n1 ZINC000806586402 617811742 /nfs/dbraw/zinc/81/17/42/617811742.db2.gz YJJDXABEMGLCNR-UHFFFAOYSA-N 0 0 270.361 3.103 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760151 617815086 /nfs/dbraw/zinc/81/50/86/617815086.db2.gz JXJCOMQBMOOADB-UWVGGRQHSA-N 0 0 267.756 3.098 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCC(F)(F)C1 ZINC000890759839 617816901 /nfs/dbraw/zinc/81/69/01/617816901.db2.gz RWDIQRGXGRTVFL-QMMMGPOBSA-N 0 0 289.709 3.097 20 10 CGCDRN CN1C(=O)/C(=C/c2coc3ccccc23)SC1=S ZINC000160319179 617954659 /nfs/dbraw/zinc/95/46/59/617954659.db2.gz CFVBWVJUFADXLJ-WDZFZDKYSA-N 0 0 275.354 3.264 20 10 CGCDRN CCNC(=O)c1ccc(NCc2cccc(C)c2O)c(C)c1 ZINC000317421964 618092914 /nfs/dbraw/zinc/09/29/14/618092914.db2.gz YYJYGWBGSSGYTA-UHFFFAOYSA-N 0 0 298.386 3.371 20 10 CGCDRN CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1(C)C ZINC000779432075 618155383 /nfs/dbraw/zinc/15/53/83/618155383.db2.gz JRYFSVAKFLWTQF-CUOATXAZSA-N 0 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[O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839192008 626328689 /nfs/dbraw/zinc/32/86/89/626328689.db2.gz RXXNEZBVDVUYDG-CDMKHQONSA-N 0 0 251.757 3.324 20 10 CGCDRN COc1ccc2ccc(O)c(CN(C)CC(F)F)c2c1 ZINC000103458809 626348691 /nfs/dbraw/zinc/34/86/91/626348691.db2.gz MIUYEONYLXCMCT-UHFFFAOYSA-N 0 0 281.302 3.251 20 10 CGCDRN C/C=C(\C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751361865 626386236 /nfs/dbraw/zinc/38/62/36/626386236.db2.gz RMEFPPWKGHQZGE-LZWSPWQCSA-N 0 0 272.392 3.259 20 10 CGCDRN CCSCC[C@@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000751396162 626388676 /nfs/dbraw/zinc/38/86/76/626388676.db2.gz PZRKGTJZGLCTOX-SECBINFHSA-N 0 0 273.423 3.057 20 10 CGCDRN C/C=C\C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088839 626418268 /nfs/dbraw/zinc/41/82/68/626418268.db2.gz QPPXQBIRRASROA-KXFIGUGUSA-N 0 0 271.316 3.090 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ncccc2F)c1C ZINC000752766721 626438378 /nfs/dbraw/zinc/43/83/78/626438378.db2.gz RZXIQNWKISRNSS-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN 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CGCDRN C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756533493 626713415 /nfs/dbraw/zinc/71/34/15/626713415.db2.gz IEKIWZMRYIOXLB-IUCAKERBSA-N 0 0 289.206 3.054 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1 ZINC000756706361 626727106 /nfs/dbraw/zinc/72/71/06/626727106.db2.gz MNCGUBUYSSNDGJ-OBJOEFQTSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@H](Nc1cnn(-c2ccccn2)c1)c1cc(F)ccc1O ZINC000756855346 626738066 /nfs/dbraw/zinc/73/80/66/626738066.db2.gz FANSDIBXGNZZAR-NSHDSACASA-N 0 0 298.321 3.285 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cccc3c2oc(=O)n3C)c1 ZINC000756857941 626738503 /nfs/dbraw/zinc/73/85/03/626738503.db2.gz YUNKPYWJPJUFPE-NSHDSACASA-N 0 0 298.342 3.319 20 10 CGCDRN CNc1ccccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000839683893 626778491 /nfs/dbraw/zinc/77/84/91/626778491.db2.gz QXJZWVYPHSLYCS-UHFFFAOYSA-N 0 0 297.402 3.033 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccnc(OC)c2)cc1 ZINC000757657393 626798207 /nfs/dbraw/zinc/79/82/07/626798207.db2.gz UIKCVHBJXFIVTH-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CC[C@]1(C)CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000758485104 626845957 /nfs/dbraw/zinc/84/59/57/626845957.db2.gz IQSCRBCRUSOPLH-QGZVFWFLSA-N 0 0 289.423 3.084 20 10 CGCDRN O=C(OCc1ccc(C(F)F)cc1)c1cccc(O)c1O ZINC000758563709 626849520 /nfs/dbraw/zinc/84/95/20/626849520.db2.gz ZDXQQADLGBJQEE-UHFFFAOYSA-N 0 0 294.253 3.392 20 10 CGCDRN CCC[N@H+](CCN(CC)CC)Cc1cccc(F)c1[O-] ZINC000764678938 627218265 /nfs/dbraw/zinc/21/82/65/627218265.db2.gz VVHSKSIVRXHXPL-UHFFFAOYSA-N 0 0 282.403 3.085 20 10 CGCDRN CC(C)C[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000765019272 627236511 /nfs/dbraw/zinc/23/65/11/627236511.db2.gz DSRRAQPQONFUHQ-AWEZNQCLSA-N 0 0 288.435 3.367 20 10 CGCDRN CC(=O)CCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000765450149 627250351 /nfs/dbraw/zinc/25/03/51/627250351.db2.gz OGCCKFYNYFLLPL-UHFFFAOYSA-N 0 0 298.386 3.145 20 10 CGCDRN COCC[N@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC000768582202 627487973 /nfs/dbraw/zinc/48/79/73/627487973.db2.gz QZROYOAWYQBFFF-UHFFFAOYSA-N 0 0 283.799 3.437 20 10 CGCDRN O=C(/C=C\SCc1ccco1)NCc1ccccc1O ZINC000769362312 627545609 /nfs/dbraw/zinc/54/56/09/627545609.db2.gz VHIVDYHQMFCRPE-CLFYSBASSA-N 0 0 289.356 3.049 20 10 CGCDRN CC(C)=C(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000769563891 627566652 /nfs/dbraw/zinc/56/66/52/627566652.db2.gz NLYBKNMYGUZGLS-UHFFFAOYSA-N 0 0 273.376 3.244 20 10 CGCDRN Cc1cccc(F)c1NNC(=S)Nc1ccccc1 ZINC000769763070 627576915 /nfs/dbraw/zinc/57/69/15/627576915.db2.gz ITUMZPZVSXNOLO-UHFFFAOYSA-N 0 0 275.352 3.448 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)c(F)c1)CC(F)F ZINC000770356509 627615089 /nfs/dbraw/zinc/61/50/89/627615089.db2.gz XQGRGXLHMSEBGI-UHFFFAOYSA-N 0 0 274.330 3.367 20 10 CGCDRN CC(C)C(NC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000770415346 627618246 /nfs/dbraw/zinc/61/82/46/627618246.db2.gz JIBBKQPVDLDBMI-UHFFFAOYSA-N 0 0 278.396 3.214 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C/c1cncc(C)c1 ZINC000772067494 627759674 /nfs/dbraw/zinc/75/96/74/627759674.db2.gz IPYNKCUMHUKBNM-CMDGGOBGSA-N 0 0 282.343 3.075 20 10 CGCDRN Cc1cccc(COC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000772774693 627820961 /nfs/dbraw/zinc/82/09/61/627820961.db2.gz JXYZEESMYPFJRH-SOFGYWHQSA-N 0 0 284.311 3.163 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000772997339 627839321 /nfs/dbraw/zinc/83/93/21/627839321.db2.gz GTUWFTKOQDFPJZ-UONOGXRCSA-N 0 0 272.392 3.286 20 10 CGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)n1cccc1 ZINC000773015407 627842408 /nfs/dbraw/zinc/84/24/08/627842408.db2.gz OFHFELTVFRKDRT-CABCVRRESA-N 0 0 299.418 3.383 20 10 CGCDRN C[C@H](NC(=O)C=C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773018064 627843038 /nfs/dbraw/zinc/84/30/38/627843038.db2.gz GZPKVJHXQOGUKK-ZDUSSCGKSA-N 0 0 272.392 3.430 20 10 CGCDRN CCCCO[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773018153 627843374 /nfs/dbraw/zinc/84/33/74/627843374.db2.gz XOUUVHBDQIDJEN-KGLIPLIRSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000773294223 627871968 /nfs/dbraw/zinc/87/19/68/627871968.db2.gz RWEBGUCVIMFEQH-JSGCOSHPSA-N 0 0 289.423 3.159 20 10 CGCDRN O=C(NCc1ccccc1O)/C(F)=C/C1CCCCC1 ZINC000774062423 627941344 /nfs/dbraw/zinc/94/13/44/627941344.db2.gz DETWELFTCJYETE-UVTDQMKNSA-N 0 0 277.339 3.442 20 10 CGCDRN CC[C@@H](C)NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774258112 627969653 /nfs/dbraw/zinc/96/96/53/627969653.db2.gz SLZCFURPQSJFFK-NEPJUHHUSA-N 0 0 279.453 3.076 20 10 CGCDRN C[C@@H](c1ccncc1)N1CCOc2cc(N(C)C)ccc21 ZINC000774754515 628024533 /nfs/dbraw/zinc/02/45/33/628024533.db2.gz UTDZYCXJIKIUHC-ZDUSSCGKSA-N 0 0 283.375 3.108 20 10 CGCDRN Cc1cccnc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775434168 628095120 /nfs/dbraw/zinc/09/51/20/628095120.db2.gz GUVOLIJBSKTIFT-CYBMUJFWSA-N 0 0 298.390 3.339 20 10 CGCDRN CC[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000775491775 628100187 /nfs/dbraw/zinc/10/01/87/628100187.db2.gz JHCDDOXMIOSKRR-CQSZACIVSA-N 0 0 293.798 3.063 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Cl)ccc1O ZINC000775492292 628100540 /nfs/dbraw/zinc/10/05/40/628100540.db2.gz NBXHURXQTMWSHP-FZMZJTMJSA-N 0 0 293.798 3.372 20 10 CGCDRN C[N@H+](Cc1ccoc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775663587 628122109 /nfs/dbraw/zinc/12/21/09/628122109.db2.gz OQSKNPQVNVLXFC-UHFFFAOYSA-N 0 0 269.703 3.410 20 10 CGCDRN COCC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775681673 628124954 /nfs/dbraw/zinc/12/49/54/628124954.db2.gz QPBFQOJKWQNDNL-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN COc1ccc(O)c(CN(CC(F)F)CC2CCC2)c1 ZINC000775736003 628130961 /nfs/dbraw/zinc/13/09/61/628130961.db2.gz IQVMDFDPEIEFTL-UHFFFAOYSA-N 0 0 285.334 3.268 20 10 CGCDRN S=C(NCc1ccc(Cl)cn1)Nc1ccccc1 ZINC000776193885 628179669 /nfs/dbraw/zinc/17/96/69/628179669.db2.gz VZTWOGRSFTUCPT-UHFFFAOYSA-N 0 0 277.780 3.222 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000776251112 628184757 /nfs/dbraw/zinc/18/47/57/628184757.db2.gz QAMKMYNGOLMKGS-UHFFFAOYSA-N 0 0 289.762 3.366 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000776314394 628192498 /nfs/dbraw/zinc/19/24/98/628192498.db2.gz 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ZINC000785864392 628892355 /nfs/dbraw/zinc/89/23/55/628892355.db2.gz KTUBGUJYYQPNTB-TZMCWYRMSA-N 0 0 276.380 3.160 20 10 CGCDRN CO[C@@H](CC[NH2+][C@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000786953561 628972407 /nfs/dbraw/zinc/97/24/07/628972407.db2.gz MCUWIFPJKOLDEC-PELKAZGASA-N 0 0 295.276 3.149 20 10 CGCDRN CN(C[C@@H]1CCC(F)(F)C1)c1ccc2c(c1)OCO2 ZINC000787730934 629026139 /nfs/dbraw/zinc/02/61/39/629026139.db2.gz PDJQFEDYFKQIIM-SNVBAGLBSA-N 0 0 269.291 3.287 20 10 CGCDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC000788007811 629039343 /nfs/dbraw/zinc/03/93/43/629039343.db2.gz HZDAQKCRGJAVAH-SECBINFHSA-N 0 0 293.310 3.257 20 10 CGCDRN C/C=C(/CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000788864328 629086915 /nfs/dbraw/zinc/08/69/15/629086915.db2.gz VSJFJXJZYKTWFJ-MLPAPPSSSA-N 0 0 260.381 3.034 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NC1(C)CC1 ZINC000789178281 629110964 /nfs/dbraw/zinc/11/09/64/629110964.db2.gz OFSJORCKFULPLC-UHFFFAOYSA-N 0 0 291.464 3.002 20 10 CGCDRN CC(C)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000790070840 629181681 /nfs/dbraw/zinc/18/16/81/629181681.db2.gz IOBVFOCPSWPIOC-LLVKDONJSA-N 0 0 295.354 3.135 20 10 CGCDRN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(O)c1O ZINC000790486688 629213223 /nfs/dbraw/zinc/21/32/23/629213223.db2.gz YVALBJFKUHZSPI-JHJVBQTASA-N 0 0 289.375 3.187 20 10 CGCDRN C[C@H]1CCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790960546 629243418 /nfs/dbraw/zinc/24/34/18/629243418.db2.gz VTCGYQBQFROASU-KWQFWETISA-N 0 0 257.736 3.463 20 10 CGCDRN CN(C)c1cc(F)c(CN(C)Cc2nccs2)cc1F ZINC000862248465 629329913 /nfs/dbraw/zinc/32/99/13/629329913.db2.gz YOSRIOIJXXSPQN-UHFFFAOYSA-N 0 0 297.374 3.119 20 10 CGCDRN C[C@H]1C[NH+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC000792164709 629341538 /nfs/dbraw/zinc/34/15/38/629341538.db2.gz CGCZBJPPKAVGSI-IUCAKERBSA-N 0 0 257.736 3.273 20 10 CGCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000792164707 629341618 /nfs/dbraw/zinc/34/16/18/629341618.db2.gz CGCZBJPPKAVGSI-DTORHVGOSA-N 0 0 257.736 3.273 20 10 CGCDRN C[C@@H]1C[C@H](C)[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792166869 629342150 /nfs/dbraw/zinc/34/21/50/629342150.db2.gz UVEWYSSFBCZNIK-BDAKNGLRSA-N 0 0 257.736 3.415 20 10 CGCDRN CCO[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792161843 629342835 /nfs/dbraw/zinc/34/28/35/629342835.db2.gz JVYPHYHJIFYEFJ-JTQLQIEISA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@H](NC(=O)NC(C)(C)C(F)F)c1ccc(N(C)C)cc1 ZINC000792178490 629344821 /nfs/dbraw/zinc/34/48/21/629344821.db2.gz JCPXXXCPQCAREH-JTQLQIEISA-N 0 0 299.365 3.157 20 10 CGCDRN Cc1ccccc1-c1nc(CNCc2ccccc2O)no1 ZINC000792174848 629345192 /nfs/dbraw/zinc/34/51/92/629345192.db2.gz LXHOECCNSDNIEL-UHFFFAOYSA-N 0 0 295.342 3.040 20 10 CGCDRN C[C@H]1C[C@H](C)N1Cc1cc(F)c(N(C)C)cc1F ZINC000862350909 629346222 /nfs/dbraw/zinc/34/62/22/629346222.db2.gz IUXUXMVUNWWEKJ-UWVGGRQHSA-N 0 0 254.324 3.014 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C)(F)C2)cc1 ZINC000792523232 629363404 /nfs/dbraw/zinc/36/34/04/629363404.db2.gz MQMGPHWKVJJSPD-UHFFFAOYSA-N 0 0 286.350 3.278 20 10 CGCDRN CCN(CC1CCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000792794539 629382896 /nfs/dbraw/zinc/38/28/96/629382896.db2.gz YECZRGOVRLRYPF-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN Cc1cc(C(=O)N2C[C@@H]3C[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000862550985 629402033 /nfs/dbraw/zinc/40/20/33/629402033.db2.gz IRSVGAVISOXYOY-IYBDPMFKSA-N 0 0 294.398 3.494 20 10 CGCDRN COC(=O)C(C)(C)CCN1CCCc2cc(OC)ccc21 ZINC000793063546 629407320 /nfs/dbraw/zinc/40/73/20/629407320.db2.gz UPZAUQNASDQXKF-UHFFFAOYSA-N 0 0 291.391 3.037 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc[nH]c2C(C)C)c1 ZINC000862755896 629429681 /nfs/dbraw/zinc/42/96/81/629429681.db2.gz MTPWCROXOHYHGQ-UHFFFAOYSA-N 0 0 272.348 3.082 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000862756188 629429919 /nfs/dbraw/zinc/42/99/19/629429919.db2.gz SIBSBUBANKHIDF-JKSUJKDBSA-N 0 0 281.355 3.121 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CC3CCC2CC3)c1 ZINC000862755077 629430004 /nfs/dbraw/zinc/43/00/04/629430004.db2.gz BTPYHJKBRJSWEO-PIMMBPRGSA-N 0 0 273.376 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccoc2C2CC2)c1 ZINC000862755367 629430029 /nfs/dbraw/zinc/43/00/29/629430029.db2.gz FTXKQRLTTWQSFA-UHFFFAOYSA-N 0 0 271.316 3.101 20 10 CGCDRN CCCCCCO[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862755488 629430046 /nfs/dbraw/zinc/43/00/46/629430046.db2.gz TWQAMZWGQMMNFF-CQSZACIVSA-N 0 0 293.407 3.302 20 10 CGCDRN CCO[C@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862759076 629431034 /nfs/dbraw/zinc/43/10/34/629431034.db2.gz UPRICPDWURQMGR-KRWDZBQOSA-N 0 0 299.370 3.095 20 10 CGCDRN Cc1ccncc1CN(C)Cc1c(O)cccc1Cl ZINC000793337341 629445229 /nfs/dbraw/zinc/44/52/29/629445229.db2.gz PELYAYJIEZGHRZ-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)ccn1 ZINC000119220190 629457685 /nfs/dbraw/zinc/45/76/85/629457685.db2.gz STVCNBDVDXTCDJ-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN COc1ccc(CNC(=O)/C=C(\C)C(C)(C)C)c(O)c1 ZINC000794382106 629538194 /nfs/dbraw/zinc/53/81/94/629538194.db2.gz XTMTXNUDYSFSNT-DHZHZOJOSA-N 0 0 277.364 3.009 20 10 CGCDRN CCC[C@H](C(=O)NCc1ccc(OC)cc1O)C(C)C ZINC000794390020 629539593 /nfs/dbraw/zinc/53/95/93/629539593.db2.gz DNRGRFGRRYWRQJ-AWEZNQCLSA-N 0 0 279.380 3.089 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCCCCC1)c1ccc(F)cc1[O-] ZINC000796683792 629814619 /nfs/dbraw/zinc/81/46/19/629814619.db2.gz PGLJUZFFWILNLE-INIZCTEOSA-N 0 0 294.414 3.448 20 10 CGCDRN CC[C@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])N1CCCC1 ZINC000796695187 629816276 /nfs/dbraw/zinc/81/62/76/629816276.db2.gz MPUAFVZLXAUGEM-GDBMZVCRSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000796697753 629816856 /nfs/dbraw/zinc/81/68/56/629816856.db2.gz WQUUWPRRAMDZJD-BBRMVZONSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@H]([NH2+]CCOC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796960376 629865532 /nfs/dbraw/zinc/86/55/32/629865532.db2.gz GCTFDLIIWGYWJD-JTQLQIEISA-N 0 0 281.249 3.108 20 10 CGCDRN CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)ccc1O ZINC000015250001 629892213 /nfs/dbraw/zinc/89/22/13/629892213.db2.gz ZFIPGTOVSVMMPM-AWEZNQCLSA-N 0 0 288.734 3.242 20 10 CGCDRN C[C@@H]1[C@H](C(=O)N(C)Cc2ccccc2O)[C@H]1c1ccccc1 ZINC000797737842 629979043 /nfs/dbraw/zinc/97/90/43/629979043.db2.gz LAQLZZFUKPOXCW-VHSSKADRSA-N 0 0 295.382 3.400 20 10 CGCDRN COc1ccccc1OCCOc1ccc(N(C)C)cc1 ZINC000798220355 630037414 /nfs/dbraw/zinc/03/74/14/630037414.db2.gz YNBKJQLFHVUOAT-UHFFFAOYSA-N 0 0 287.359 3.219 20 10 CGCDRN CN(Cc1ccccc1O)c1nc2c(cccc2F)n1C ZINC000798395605 630052885 /nfs/dbraw/zinc/05/28/85/630052885.db2.gz HDDLHCQBRMTRKF-UHFFFAOYSA-N 0 0 285.322 3.054 20 10 CGCDRN CCCCc1cc(NCc2ccccc2O)ncn1 ZINC000865486595 630148404 /nfs/dbraw/zinc/14/84/04/630148404.db2.gz BMPORKBCSOFPSJ-UHFFFAOYSA-N 0 0 257.337 3.137 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(C2CC2)n1 ZINC000836689471 634791539 /nfs/dbraw/zinc/79/15/39/634791539.db2.gz PMXDQKJFGTWHMX-UHFFFAOYSA-N 0 0 297.358 3.329 20 10 CGCDRN C[C@H]1C[C@@H](NC2(C(F)F)CC2)c2c1c(F)ccc2O ZINC000800502301 630289693 /nfs/dbraw/zinc/28/96/93/630289693.db2.gz RJWIYJXSDGZWHL-IONNQARKSA-N 0 0 271.282 3.467 20 10 CGCDRN O=C(NC[C@@H]1CCCC(F)(F)C1)C1=CC(=O)CS1 ZINC000800696344 630295457 /nfs/dbraw/zinc/29/54/57/630295457.db2.gz PNSIXNPXSQFVCN-MRVPVSSYSA-N 0 0 275.320 3.009 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](F)C(C)C ZINC000839920441 630296947 /nfs/dbraw/zinc/29/69/47/630296947.db2.gz AGVQGIXIKXMMAB-CZUORRHYSA-N 0 0 294.414 3.102 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C1=CCCCO1 ZINC000801548273 630343052 /nfs/dbraw/zinc/34/30/52/630343052.db2.gz DLLJNQTVLXCYEP-UHFFFAOYSA-N 0 0 289.375 3.215 20 10 CGCDRN CC[C@@H]([NH2+]Cc1nnc(C)s1)c1cccc(Cl)c1[O-] ZINC000806158651 630551245 /nfs/dbraw/zinc/55/12/45/630551245.db2.gz NWNFMSRWIIXNQO-LLVKDONJSA-N 0 0 297.811 3.446 20 10 CGCDRN CC(=O)C(=O)CSc1cc(Cl)ccc1Cl ZINC000808016143 630618662 /nfs/dbraw/zinc/61/86/62/630618662.db2.gz WYAXHJQDBKYNOV-UHFFFAOYSA-N 0 0 263.145 3.244 20 10 CGCDRN CCN(C)C(=O)c1cccc(NCc2cc(C)ccc2O)c1 ZINC000808424051 630643559 /nfs/dbraw/zinc/64/35/59/630643559.db2.gz OLALELYSFZKPGC-UHFFFAOYSA-N 0 0 298.386 3.405 20 10 CGCDRN Cc1nnc(CN[C@H](C)c2cc(Cl)cc(C)c2O)s1 ZINC000808712074 630669278 /nfs/dbraw/zinc/66/92/78/630669278.db2.gz AOSHPCLZAFQGNA-MRVPVSSYSA-N 0 0 297.811 3.365 20 10 CGCDRN C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809701060 630785855 /nfs/dbraw/zinc/78/58/55/630785855.db2.gz AZTVAMDMDXPUNR-RDDDGLTNSA-N 0 0 275.776 3.026 20 10 CGCDRN C[C@H](NCc1cc(F)ccc1O)c1c(F)cncc1F ZINC000809717280 630790326 /nfs/dbraw/zinc/79/03/26/630790326.db2.gz ZFVQVNPMNYJXNT-QMMMGPOBSA-N 0 0 282.265 3.055 20 10 CGCDRN COc1ccc(O)c(CN2CCc3cccc(F)c32)c1 ZINC000809767050 630802650 /nfs/dbraw/zinc/80/26/50/630802650.db2.gz FTDSXMFWOXSTON-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000810262713 630862711 /nfs/dbraw/zinc/86/27/11/630862711.db2.gz WAMAVIXRDRBSJM-CHWSQXEVSA-N 0 0 282.403 3.302 20 10 CGCDRN C[C@@H](NC(=O)c1conc1C1CC1)c1ccc(N(C)C)cc1 ZINC000811186370 631041108 /nfs/dbraw/zinc/04/11/08/631041108.db2.gz LVOVELSOWHKRNR-LLVKDONJSA-N 0 0 299.374 3.109 20 10 CGCDRN COC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000127247906 635585703 /nfs/dbraw/zinc/58/57/03/635585703.db2.gz DQGBOJFJOWKWFK-UHFFFAOYSA-N 0 0 291.734 3.444 20 10 CGCDRN O=C1NC(=S)S/C1=C/c1cscc1C(F)(F)F ZINC000811627374 631094743 /nfs/dbraw/zinc/09/47/43/631094743.db2.gz UGZLBPREMIVBNO-LZCJLJQNSA-N 0 0 295.332 3.256 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc(O)c(F)c1 ZINC000813334504 631412785 /nfs/dbraw/zinc/41/27/85/631412785.db2.gz MZSODPFBIUXABM-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN CCO[C@H](C)c1nccn1Cc1ccc(N(C)C)cc1 ZINC000814756460 631634387 /nfs/dbraw/zinc/63/43/87/631634387.db2.gz OVOVALHEASIJBH-CYBMUJFWSA-N 0 0 273.380 3.095 20 10 CGCDRN COC(C)(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815589283 631802799 /nfs/dbraw/zinc/80/27/99/631802799.db2.gz NXCLIGNHYQAOQR-SECBINFHSA-N 0 0 291.313 3.487 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000815835005 631827221 /nfs/dbraw/zinc/82/72/21/631827221.db2.gz HZXOSWUJWMBGSJ-YXPOGWMNSA-N 0 0 289.375 3.014 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCO1 ZINC000816496099 631994571 /nfs/dbraw/zinc/99/45/71/631994571.db2.gz WIZGHXQCBMACFY-LLVKDONJSA-N 0 0 287.762 3.186 20 10 CGCDRN Cn1cccc1C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816513922 631997707 /nfs/dbraw/zinc/99/77/07/631997707.db2.gz HAADSNGCBAWNAK-UHFFFAOYSA-N 0 0 282.746 3.155 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816535091 632006503 /nfs/dbraw/zinc/00/65/03/632006503.db2.gz FFHXFZXDEYYFAC-UHFFFAOYSA-N 0 0 283.730 3.418 20 10 CGCDRN Oc1c(C[NH2+]C[C@H]2CCCC[C@@H]2O)ccc2ccccc21 ZINC000816552315 632008678 /nfs/dbraw/zinc/00/86/78/632008678.db2.gz IIMFTTJWDURZRJ-PBHICJAKSA-N 0 0 285.387 3.186 20 10 CGCDRN C[C@H]1CC([NH2+]Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000816559758 632013304 /nfs/dbraw/zinc/01/33/04/632013304.db2.gz UDVRBZACMGDMIO-IUCAKERBSA-N 0 0 287.762 3.230 20 10 CGCDRN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560731 632013398 /nfs/dbraw/zinc/01/33/98/632013398.db2.gz YOFLCCSNBRTGLP-LKFCYVNXSA-N 0 0 287.762 3.089 20 10 CGCDRN Oc1c(CN2CCC(F)(F)C2)ccc2ccccc21 ZINC000816560510 632013628 /nfs/dbraw/zinc/01/36/28/632013628.db2.gz QPVGNPJWMPMFEC-UHFFFAOYSA-N 0 0 263.287 3.386 20 10 CGCDRN Oc1cc(F)c(Cl)cc1CNc1cnn(CC2CC2)c1 ZINC000816559403 632013871 /nfs/dbraw/zinc/01/38/71/632013871.db2.gz JFFLFLMFYSILBH-UHFFFAOYSA-N 0 0 295.745 3.403 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000816569409 632015643 /nfs/dbraw/zinc/01/56/43/632015643.db2.gz KMUYTKUCFXGEAH-UHFFFAOYSA-N 0 0 299.773 3.187 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3ccnn3C)cc12 ZINC000817380024 632134344 /nfs/dbraw/zinc/13/43/44/632134344.db2.gz KADPRLUVYLLULF-UHFFFAOYSA-N 0 0 269.348 3.108 20 10 CGCDRN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000817414852 632145164 /nfs/dbraw/zinc/14/51/64/632145164.db2.gz PFJQJKBHNKQYJI-LDYMZIIASA-N 0 0 290.190 3.044 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CC3(F)F)cc12 ZINC000817761955 632222825 /nfs/dbraw/zinc/22/28/25/632222825.db2.gz NLXBTSKYYCVWPS-GFCCVEGCSA-N 0 0 279.286 3.356 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCSC3)cc12 ZINC000817760309 632222840 /nfs/dbraw/zinc/22/28/40/632222840.db2.gz AHOBAGKXEQSTGO-LBPRGKRZSA-N 0 0 289.400 3.454 20 10 CGCDRN COC[C@@H](C)CC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762672 632223158 /nfs/dbraw/zinc/22/31/58/632223158.db2.gz XOROWXFUTLBZAM-NSHDSACASA-N 0 0 289.375 3.373 20 10 CGCDRN CC(=O)CCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762853 632223359 /nfs/dbraw/zinc/22/33/59/632223359.db2.gz YPSGLDOIUDNWRW-UHFFFAOYSA-N 0 0 287.359 3.460 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000817767594 632224197 /nfs/dbraw/zinc/22/41/97/632224197.db2.gz ZZQMYUBTFKABAC-MRVPVSSYSA-N 0 0 293.310 3.258 20 10 CGCDRN CC[C@H]([NH2+][C@H](CN)CC(C)C)c1cccc(Cl)c1[O-] ZINC000817959141 632254381 /nfs/dbraw/zinc/25/43/81/632254381.db2.gz PTGIKGJOUMINGN-FZMZJTMJSA-N 0 0 284.831 3.460 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(F)cc1[O-] ZINC000817982315 632273029 /nfs/dbraw/zinc/27/30/29/632273029.db2.gz RNSWVVCQFOZYNV-HUUCEWRRSA-N 0 0 280.387 3.090 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CC(=O)NCCc1ccc(N)cc1 ZINC000818545038 632331760 /nfs/dbraw/zinc/33/17/60/632331760.db2.gz CCHFJVHVCQULLL-DZGCQCFKSA-N 0 0 274.408 3.144 20 10 CGCDRN CC[C@H](Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000818544762 632331871 /nfs/dbraw/zinc/33/18/71/632331871.db2.gz MSNDGKJIKHTXAR-QGZVFWFLSA-N 0 0 296.414 3.196 20 10 CGCDRN C=C=CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000820194154 632585769 /nfs/dbraw/zinc/58/57/69/632585769.db2.gz VIDQANXQCTZZPF-UHFFFAOYSA-N 0 0 284.334 3.304 20 10 CGCDRN C[C@@H](CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822011296 632854502 /nfs/dbraw/zinc/85/45/02/632854502.db2.gz KAUUDUKJRLSGRM-JTQLQIEISA-N 0 0 288.351 3.158 20 10 CGCDRN C[C@H](Nc1nc(C2CC2)ns1)c1ccccc1O ZINC000866238482 633039729 /nfs/dbraw/zinc/03/97/29/633039729.db2.gz OXWWUBQALAKERN-QMMMGPOBSA-N 0 0 261.350 3.294 20 10 CGCDRN F[C@H]1COc2ccccc2[C@H]1NCc1ccc2c(c1)CCO2 ZINC000866251870 633045413 /nfs/dbraw/zinc/04/54/13/633045413.db2.gz BWJISJDPTCWFAA-MAUKXSAKSA-N 0 0 299.345 3.183 20 10 CGCDRN C[C@@H](Nc1cnn2c1CCCC2)c1ccc(F)cc1O ZINC000866459773 633144748 /nfs/dbraw/zinc/14/47/48/633144748.db2.gz BDQNBAVGJFNJBN-SNVBAGLBSA-N 0 0 275.327 3.237 20 10 CGCDRN C[C@H](CC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000823752030 633148995 /nfs/dbraw/zinc/14/89/95/633148995.db2.gz BDGFKRNFFJSHEG-SNVBAGLBSA-N 0 0 266.341 3.215 20 10 CGCDRN C/C(=C\C(=O)N1CCCc2cc(C)ccc21)c1cnccn1 ZINC000824227028 633214175 /nfs/dbraw/zinc/21/41/75/633214175.db2.gz LOVZHYAYMJBESA-SDNWHVSQSA-N 0 0 293.370 3.168 20 10 CGCDRN COC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000824445542 633247102 /nfs/dbraw/zinc/24/71/02/633247102.db2.gz DTRWNIYWNYAWRE-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN Cc1ccsc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868150852 633299318 /nfs/dbraw/zinc/29/93/18/633299318.db2.gz NLZYISYIIFMQCM-LLVKDONJSA-N 0 0 290.388 3.323 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccccc1O ZINC000868345979 633316144 /nfs/dbraw/zinc/31/61/44/633316144.db2.gz VOOIPKDOMJOIOP-BXUZGUMPSA-N 0 0 276.380 3.331 20 10 CGCDRN CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000825005585 633316404 /nfs/dbraw/zinc/31/64/04/633316404.db2.gz PPOMJCNXLJITKS-SNVBAGLBSA-N 0 0 279.771 3.113 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])c2nccn21 ZINC000825017702 633318719 /nfs/dbraw/zinc/31/87/19/633318719.db2.gz XOQVEXOETHSHIR-QPUJVOFHSA-N 0 0 295.745 3.177 20 10 CGCDRN CO[C@H]([C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000825099091 633328559 /nfs/dbraw/zinc/32/85/59/633328559.db2.gz ULGJUAUBOFRYSX-XLKFXECMSA-N 0 0 287.762 3.088 20 10 CGCDRN Cc1csc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000825873499 633385571 /nfs/dbraw/zinc/38/55/71/633385571.db2.gz KXVXJWOKRPMWHF-UHFFFAOYSA-N 0 0 288.416 3.361 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)CC2CCC2)c1 ZINC000868984240 633387793 /nfs/dbraw/zinc/38/77/93/633387793.db2.gz VZROWBDHYQIECO-LBPRGKRZSA-N 0 0 276.380 3.079 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CC=CCC1 ZINC000825980614 633393693 /nfs/dbraw/zinc/39/36/93/633393693.db2.gz HEXUMZUMJQZHMC-GOSISDBHSA-N 0 0 286.419 3.424 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842776673 633410206 /nfs/dbraw/zinc/41/02/06/633410206.db2.gz NPLSQXCQRQOPEW-LPEHRKFASA-N 0 0 269.747 3.463 20 10 CGCDRN CC[C@@H](COCC1CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000826868323 633438978 /nfs/dbraw/zinc/43/89/78/633438978.db2.gz QOXUMPZOIAXIRU-ZDUSSCGKSA-N 0 0 283.799 3.340 20 10 CGCDRN COCC1(C2CCC2)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000827011730 633448236 /nfs/dbraw/zinc/44/82/36/633448236.db2.gz NHSZILZEJGAUKF-UHFFFAOYSA-N 0 0 295.810 3.294 20 10 CGCDRN COC1(C(=O)NCc2cc(C)ccc2O)CCCCCC1 ZINC000827166492 633466680 /nfs/dbraw/zinc/46/66/80/633466680.db2.gz IZGRDOJGIQSSAA-UHFFFAOYSA-N 0 0 291.391 3.056 20 10 CGCDRN Cc1ccc(C(=O)OC/C=C\c2ccccc2)c(O)c1O ZINC000207961787 633512029 /nfs/dbraw/zinc/51/20/29/633512029.db2.gz HUYCOIIRNVCKFM-YVMONPNESA-N 0 0 284.311 3.276 20 10 CGCDRN CCCN(C)CC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000827722803 633512614 /nfs/dbraw/zinc/51/26/14/633512614.db2.gz WEVPCPJBYDGPQR-UHFFFAOYSA-N 0 0 284.831 3.256 20 10 CGCDRN Cc1nnc(CN(C)Cc2c(O)cc(C)cc2Cl)s1 ZINC000827804856 633519207 /nfs/dbraw/zinc/51/92/07/633519207.db2.gz BLCKVYKIOCZFPK-UHFFFAOYSA-N 0 0 297.811 3.146 20 10 CGCDRN CCOCCCCCC(=O)N[C@H](C)c1ccccc1O ZINC000827918809 633534315 /nfs/dbraw/zinc/53/43/15/633534315.db2.gz ZEPYPUFMNASUMY-CYBMUJFWSA-N 0 0 279.380 3.166 20 10 CGCDRN Cc1csc(C2(NC(=O)C3=CC(=O)CS3)CCC2)n1 ZINC000827916214 633534969 /nfs/dbraw/zinc/53/49/69/633534969.db2.gz HSORQSSCVFTMJT-UHFFFAOYSA-N 0 0 294.401 3.028 20 10 CGCDRN COCC1([NH2+]Cc2cccc(Cl)c2[O-])CCCCC1 ZINC000827934262 633536899 /nfs/dbraw/zinc/53/68/99/633536899.db2.gz JJSLXRIJOKHUGV-UHFFFAOYSA-N 0 0 283.799 3.485 20 10 CGCDRN CO[C@@H]1CCC[C@@H](CC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827946310 633538168 /nfs/dbraw/zinc/53/81/68/633538168.db2.gz DFPABZOLRPJACO-MGPQQGTHSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](NC(=O)C[C@H]1OCc2ccccc21)c1ccccc1O ZINC000827952229 633538832 /nfs/dbraw/zinc/53/88/32/633538832.db2.gz KIOCEMLPVSFOGG-SJKOYZFVSA-N 0 0 297.354 3.231 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC1(C)C ZINC000827957969 633540264 /nfs/dbraw/zinc/54/02/64/633540264.db2.gz WZXHBSKCHUGLMQ-HNNXBMFYSA-N 0 0 274.408 3.113 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCc2cc(F)ccc21)c1ccccc1O ZINC000827956955 633540395 /nfs/dbraw/zinc/54/03/95/633540395.db2.gz QLCQOBKQZXGXIS-BZNIZROVSA-N 0 0 299.345 3.439 20 10 CGCDRN CSCC1(CC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000827960522 633541021 /nfs/dbraw/zinc/54/10/21/633541021.db2.gz QMHDVZCOVMNPSE-NSHDSACASA-N 0 0 279.405 3.103 20 10 CGCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827964857 633541742 /nfs/dbraw/zinc/54/17/42/633541742.db2.gz XZJWDHDFHLZRLT-HZSPNIEDSA-N 0 0 293.407 3.147 20 10 CGCDRN CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827968860 633541920 /nfs/dbraw/zinc/54/19/20/633541920.db2.gz BACDWCPEMDXJKS-MELADBBJSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCCc2cccnc21)c1ccccc1O ZINC000827968827 633542138 /nfs/dbraw/zinc/54/21/38/633542138.db2.gz AATBDWUYTCIVOA-SWLSCSKDSA-N 0 0 296.370 3.085 20 10 CGCDRN CC(C)[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000828067467 633556053 /nfs/dbraw/zinc/55/60/53/633556053.db2.gz BWIFPYUENOMLFY-NSHDSACASA-N 0 0 253.367 3.104 20 10 CGCDRN O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1Cc2cccc(O)c2C1 ZINC000828328541 633605539 /nfs/dbraw/zinc/60/55/39/633605539.db2.gz YHUXITVGNCONTH-CLLJXQQHSA-N 0 0 271.360 3.061 20 10 CGCDRN CC[C@@H](CC(C)C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000828885040 633665143 /nfs/dbraw/zinc/66/51/43/633665143.db2.gz RUJCUSWWWJPHEU-JSGCOSHPSA-N 0 0 293.407 3.217 20 10 CGCDRN O=C(CC1=CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871203379 633723158 /nfs/dbraw/zinc/72/31/58/633723158.db2.gz ZEZMQSHUMKGOQU-UHFFFAOYSA-N 0 0 257.333 3.125 20 10 CGCDRN O=C(C(F)=C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871202555 633723543 /nfs/dbraw/zinc/72/35/43/633723543.db2.gz AMPMYOCGAKDKTK-UHFFFAOYSA-N 0 0 261.296 3.032 20 10 CGCDRN CC[C@H](CC(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000871202354 633723713 /nfs/dbraw/zinc/72/37/13/633723713.db2.gz FMNUXSVTOOJOBI-GFCCVEGCSA-N 0 0 261.365 3.307 20 10 CGCDRN C[C@]1(C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1c1ccccc1 ZINC000871205938 633725166 /nfs/dbraw/zinc/72/51/66/633725166.db2.gz OSMPFZRESYRXNO-APWZRJJASA-N 0 0 293.366 3.428 20 10 CGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205210 633725336 /nfs/dbraw/zinc/72/53/36/633725336.db2.gz ROHRNQGNOAGJOS-OCCSQVGLSA-N 0 0 273.376 3.451 20 10 CGCDRN CCC[C@H]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205209 633725397 /nfs/dbraw/zinc/72/53/97/633725397.db2.gz ROHRNQGNOAGJOS-JSGCOSHPSA-N 0 0 273.376 3.451 20 10 CGCDRN COC(=O)c1cnc(S[C@H]2CC[C@H](C)C2)s1 ZINC000829677962 633765258 /nfs/dbraw/zinc/76/52/58/633765258.db2.gz SUPOXENHYQEJRT-YUMQZZPRSA-N 0 0 257.380 3.210 20 10 CGCDRN O=C(NCc1ccccc1O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000830527228 633869153 /nfs/dbraw/zinc/86/91/53/633869153.db2.gz XHLDLSJJLCFXPR-ZIAGYGMSSA-N 0 0 273.376 3.225 20 10 CGCDRN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1ccccc1O ZINC000830526536 633869381 /nfs/dbraw/zinc/86/93/81/633869381.db2.gz NEJBCCXAGNTFHX-ZFWWWQNUSA-N 0 0 295.329 3.224 20 10 CGCDRN COc1cccc(CNC(=O)c2ccc(C3CC3)cc2)c1O ZINC000830540834 633869919 /nfs/dbraw/zinc/86/99/19/633869919.db2.gz OAWHTPCONHMDBY-UHFFFAOYSA-N 0 0 297.354 3.208 20 10 CGCDRN CC(C)C[C@H](C)OC(=O)N(C)Cc1ccccc1O ZINC000830609646 633874067 /nfs/dbraw/zinc/87/40/67/633874067.db2.gz KUOFJPXINKHYHU-LBPRGKRZSA-N 0 0 265.353 3.395 20 10 CGCDRN CC(C)Nc1ccccc1NCc1ncnn1C(C)(C)C ZINC000871846323 633892421 /nfs/dbraw/zinc/89/24/21/633892421.db2.gz WJTCCYCRRSOYQR-UHFFFAOYSA-N 0 0 287.411 3.466 20 10 CGCDRN CC(C)Nc1ccccc1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000871846395 633892612 /nfs/dbraw/zinc/89/26/12/633892612.db2.gz ZHKTYZZSCGLFMS-UHFFFAOYSA-N 0 0 298.390 3.492 20 10 CGCDRN CC(C)N(C)c1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000832177671 634035196 /nfs/dbraw/zinc/03/51/96/634035196.db2.gz CWYNPSWCCIEFJA-UHFFFAOYSA-N 0 0 297.402 3.295 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000832260786 634039908 /nfs/dbraw/zinc/03/99/08/634039908.db2.gz YRKURHGNTYQFPK-VIFPVBQESA-N 0 0 299.351 3.174 20 10 CGCDRN CN(Cc1noc2c1CC(C)(C)CC2)c1ccc(N)cc1 ZINC000872144789 634064356 /nfs/dbraw/zinc/06/43/56/634064356.db2.gz HOWPNQPFTFRWJS-UHFFFAOYSA-N 0 0 285.391 3.408 20 10 CGCDRN CC(C)(C)C1CC(NC(=O)C2=CC(=O)CS2)C1 ZINC000832869927 634103437 /nfs/dbraw/zinc/10/34/37/634103437.db2.gz AGPAIZUFHLRSPC-UHFFFAOYSA-N 0 0 253.367 3.008 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(CF)CF)cc1 ZINC000833433143 634121350 /nfs/dbraw/zinc/12/13/50/634121350.db2.gz DDUMLZYJBSMGHB-UHFFFAOYSA-N 0 0 292.329 3.132 20 10 CGCDRN CCN1C(=O)/C(=C/c2ccc(C)cc2OC)SC1=S ZINC000834398539 634161911 /nfs/dbraw/zinc/16/19/11/634161911.db2.gz MJECNMXXERACFJ-WQLSENKSSA-N 0 0 293.413 3.225 20 10 CGCDRN COCCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000101567447 634199625 /nfs/dbraw/zinc/19/96/25/634199625.db2.gz JLVYRLYXZPAKGL-UHFFFAOYSA-N 0 0 255.333 3.086 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@H](C)O ZINC000834889016 634268844 /nfs/dbraw/zinc/26/88/44/634268844.db2.gz TXYDDCICLFQABZ-AUTRQRHGSA-N 0 0 291.313 3.221 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1[O-])[C@H](C)O ZINC000834889243 634268932 /nfs/dbraw/zinc/26/89/32/634268932.db2.gz VRKFAIVWZZMVBJ-BIMULSAOSA-N 0 0 271.788 3.246 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ncccc1OC)c1ccc(F)cc1[O-] ZINC000834905683 634281868 /nfs/dbraw/zinc/28/18/68/634281868.db2.gz JTWHNKCMGXYFFX-CYBMUJFWSA-N 0 0 290.338 3.176 20 10 CGCDRN C[C@H](Nc1cccc(CCO)c1)c1cc(F)cc(F)c1O ZINC000834910522 634284147 /nfs/dbraw/zinc/28/41/47/634284147.db2.gz DYPBWIWSMPIXIH-JTQLQIEISA-N 0 0 293.313 3.378 20 10 CGCDRN CCOc1ccc(CNc2cc(C)cc(N)c2)c(O)c1 ZINC000873217400 634287334 /nfs/dbraw/zinc/28/73/34/634287334.db2.gz LNKWYQVRPAFDTP-UHFFFAOYSA-N 0 0 272.348 3.294 20 10 CGCDRN Cc1cc(N)cc(NCc2ccc(N(C)C)cc2)c1 ZINC000873217864 634287862 /nfs/dbraw/zinc/28/78/62/634287862.db2.gz SEXPRCRPTYQBDJ-UHFFFAOYSA-N 0 0 255.365 3.255 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2cccc(CCO)c2)cc1 ZINC000835054338 634338087 /nfs/dbraw/zinc/33/80/87/634338087.db2.gz KGWRVYSRFLGZCH-XQRVVYSFSA-N 0 0 296.414 3.413 20 10 CGCDRN Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])on1 ZINC000876617782 634868929 /nfs/dbraw/zinc/86/89/29/634868929.db2.gz VAAUFSHRBCCFPW-GFCCVEGCSA-N 0 0 294.301 3.304 20 10 CGCDRN CC(C)c1cccc(CC(=O)NCc2ccccc2O)c1 ZINC000837483071 634917993 /nfs/dbraw/zinc/91/79/93/634917993.db2.gz ZTNMRBNASMILSH-UHFFFAOYSA-N 0 0 283.371 3.375 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000837543900 634930809 /nfs/dbraw/zinc/93/08/09/634930809.db2.gz YHAMCGGRJJLKOH-OLZOCXBDSA-N 0 0 274.408 3.366 20 10 CGCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCC[C@@H]1C ZINC000876931669 634930954 /nfs/dbraw/zinc/93/09/54/634930954.db2.gz RHLONCYIMIQWMX-RYUDHWBXSA-N 0 0 298.377 3.023 20 10 CGCDRN CCc1nc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cs1 ZINC000876997283 634946905 /nfs/dbraw/zinc/94/69/05/634946905.db2.gz SARDTJUTZXDCCY-UHFFFAOYSA-N 0 0 298.358 3.022 20 10 CGCDRN Cc1ccccc1C[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074689 634972353 /nfs/dbraw/zinc/97/23/53/634972353.db2.gz PNEJYRDFNBPXFM-CQSZACIVSA-N 0 0 282.387 3.419 20 10 CGCDRN CN(C(=O)C1CCC(C2CC2)CC1)c1ccc(N)cc1 ZINC000877074424 634972948 /nfs/dbraw/zinc/97/29/48/634972948.db2.gz JVUUSUWDUGDDKM-UHFFFAOYSA-N 0 0 272.392 3.448 20 10 CGCDRN CN(C(=O)c1coc(C2CCCC2)n1)c1ccc(N)cc1 ZINC000877076494 634974218 /nfs/dbraw/zinc/97/42/18/634974218.db2.gz QZSWOUAWHPEVDG-UHFFFAOYSA-N 0 0 285.347 3.191 20 10 CGCDRN CCN(CC)c1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877077370 634974652 /nfs/dbraw/zinc/97/46/52/634974652.db2.gz GAGOKBMRRPIYPY-UHFFFAOYSA-N 0 0 297.402 3.392 20 10 CGCDRN CN(C(=O)c1scnc1C(C)(C)C)c1ccc(N)cc1 ZINC000877077317 634974869 /nfs/dbraw/zinc/97/48/69/634974869.db2.gz CNTOWOKRCCJFPQ-UHFFFAOYSA-N 0 0 289.404 3.299 20 10 CGCDRN Cc1cccc(C2(C(=O)N(C)c3ccc(N)cc3)CC2)c1 ZINC000877078551 634975577 /nfs/dbraw/zinc/97/55/77/634975577.db2.gz ULDZIJMOCINVAW-UHFFFAOYSA-N 0 0 280.371 3.272 20 10 CGCDRN CN(C(=O)[C@@]1(C)CCc2ccccc2C1)c1ccc(N)cc1 ZINC000877077680 634975743 /nfs/dbraw/zinc/97/57/43/634975743.db2.gz QVDJKSRGJKMTGK-IBGZPJMESA-N 0 0 294.398 3.427 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCOCC3(CCCC3)C2)ccc(F)c1F ZINC000877418874 635038881 /nfs/dbraw/zinc/03/88/81/635038881.db2.gz IOHVHBUTIKDXHJ-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000840765553 635049269 /nfs/dbraw/zinc/04/92/69/635049269.db2.gz XAVIGRKOHYSTKY-MBNYWOFBSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC000877471293 635050321 /nfs/dbraw/zinc/05/03/21/635050321.db2.gz UPCFKQOQZYULIC-LLVKDONJSA-N 0 0 289.379 3.232 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840816676 635057889 /nfs/dbraw/zinc/05/78/89/635057889.db2.gz XHPHARVPFZFABH-ZWNOBZJWSA-N 0 0 277.343 3.067 20 10 CGCDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000877540276 635079877 /nfs/dbraw/zinc/07/98/77/635079877.db2.gz VHUIEXWCPBUDOT-GFCCVEGCSA-N 0 0 299.361 3.450 20 10 CGCDRN Cc1cc(O)c(CN2CCC=C(F)C2)c(Cl)c1 ZINC000840936500 635085957 /nfs/dbraw/zinc/08/59/57/635085957.db2.gz KGUUGZUFHZPCBQ-UHFFFAOYSA-N 0 0 255.720 3.413 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000877558863 635091416 /nfs/dbraw/zinc/09/14/16/635091416.db2.gz OBNJLXJDPKHEQS-UHFFFAOYSA-N 0 0 292.329 3.133 20 10 CGCDRN CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877565657 635094317 /nfs/dbraw/zinc/09/43/17/635094317.db2.gz MGGOFKUFWZGMBH-RISCZKNCSA-N 0 0 299.361 3.211 20 10 CGCDRN Cc1cc(O)c(CNCc2nnc(C3CC3)s2)cc1C ZINC000840972994 635098442 /nfs/dbraw/zinc/09/84/42/635098442.db2.gz AFSKNKBNSJPNIG-UHFFFAOYSA-N 0 0 289.404 3.028 20 10 CGCDRN [O-]c1c(C[NH2+]CCC2CC(F)(F)C2)ccc(F)c1F ZINC000877577721 635100362 /nfs/dbraw/zinc/10/03/62/635100362.db2.gz HKDMECAYBGIEAE-UHFFFAOYSA-N 0 0 277.261 3.195 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1cccc2c1CCCN2 ZINC000841083286 635118954 /nfs/dbraw/zinc/11/89/54/635118954.db2.gz NAKQTYNOWHQIQQ-UHFFFAOYSA-N 0 0 286.350 3.179 20 10 CGCDRN CC(C)(C)[C@@H](CN)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841088116 635119786 /nfs/dbraw/zinc/11/97/86/635119786.db2.gz XWPMCAJVRUTMAU-LLVKDONJSA-N 0 0 291.222 3.162 20 10 CGCDRN Nc1ccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000841296804 635148545 /nfs/dbraw/zinc/14/85/45/635148545.db2.gz IKDDGYCPFINBBR-SECBINFHSA-N 0 0 287.285 3.075 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000877700476 635151234 /nfs/dbraw/zinc/15/12/34/635151234.db2.gz ASHMADSTMHLEQT-LSDHHAIUSA-N 0 0 295.810 3.483 20 10 CGCDRN Oc1cccc2c1C[N@H+](C[C@H]1CCN(c3ccccc3)C1)C2 ZINC000877702581 635153617 /nfs/dbraw/zinc/15/36/17/635153617.db2.gz CDZIJCRDUHCTQA-OAHLLOKOSA-N 0 0 294.398 3.234 20 10 CGCDRN COC(C)(C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877707993 635158811 /nfs/dbraw/zinc/15/88/11/635158811.db2.gz WGZXIHDIIXSIBY-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN CCn1ncc(-c2csc(-c3ccc(N(C)C)cc3)n2)n1 ZINC000841491086 635186647 /nfs/dbraw/zinc/18/66/47/635186647.db2.gz JOTQBYXJHHLTDB-UHFFFAOYSA-N 0 0 299.403 3.155 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)OC1CCC1 ZINC000841570832 635192153 /nfs/dbraw/zinc/19/21/53/635192153.db2.gz UGRXVSZJCCVRCN-CYBMUJFWSA-N 0 0 290.407 3.271 20 10 CGCDRN CCCCCC[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841616076 635197464 /nfs/dbraw/zinc/19/74/64/635197464.db2.gz JNGHPSSIBFRJGJ-AWEZNQCLSA-N 0 0 291.439 3.469 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877805760 635209113 /nfs/dbraw/zinc/20/91/13/635209113.db2.gz LAUXDVJTBJDARG-LQJRIPTKSA-N 0 0 299.773 3.232 20 10 CGCDRN COCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746793 635223868 /nfs/dbraw/zinc/22/38/68/635223868.db2.gz LGVSODUFQCQZOZ-VHSXEESVSA-N 0 0 257.761 3.121 20 10 CGCDRN CS[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751146 635225545 /nfs/dbraw/zinc/22/55/45/635225545.db2.gz LNVLEGMTOYEBMS-BDAKNGLRSA-N 0 0 259.802 3.448 20 10 CGCDRN C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841756733 635229622 /nfs/dbraw/zinc/22/96/22/635229622.db2.gz JOZSLPPDOFVDOU-PTRXPTGYSA-N 0 0 271.813 3.448 20 10 CGCDRN CCCN(CCC)c1ccc(C[NH2+]C[C@@H](C)C(=O)[O-])cc1 ZINC000841803432 635236959 /nfs/dbraw/zinc/23/69/59/635236959.db2.gz UEZJFGIVUJOMIN-CQSZACIVSA-N 0 0 292.423 3.123 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)ccc1O)N2 ZINC000877864990 635246240 /nfs/dbraw/zinc/24/62/40/635246240.db2.gz VLDHYGWDFHXBCD-AWEZNQCLSA-N 0 0 288.734 3.208 20 10 CGCDRN CC(C)CN(CC(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841962752 635252793 /nfs/dbraw/zinc/25/27/93/635252793.db2.gz QWYRPGKIYRRIBG-UHFFFAOYSA-N 0 0 291.439 3.135 20 10 CGCDRN C[C@H]1CCCC[C@@]1(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955408 635253142 /nfs/dbraw/zinc/25/31/42/635253142.db2.gz BCHSZVAHZLRJPI-SUMWQHHRSA-N 0 0 289.423 3.079 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000843159801 635589107 /nfs/dbraw/zinc/58/91/07/635589107.db2.gz ATBOIKPNEDRNJK-XQQFMLRXSA-N 0 0 269.348 3.146 20 10 CGCDRN C[C@H]1CC/C(=C\c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843160116 635589141 /nfs/dbraw/zinc/58/91/41/635589141.db2.gz VQIZTHFBGLSTOR-CDDSVFCYSA-N 0 0 269.348 3.446 20 10 CGCDRN CC(C)C[C@@H](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160525 635589423 /nfs/dbraw/zinc/58/94/23/635589423.db2.gz ZBTRBKLOLAUFHT-GFCCVEGCSA-N 0 0 273.380 3.467 20 10 CGCDRN CNC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000127263386 635594394 /nfs/dbraw/zinc/59/43/94/635594394.db2.gz TZWNICDARKJXFK-UHFFFAOYSA-N 0 0 290.750 3.017 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000843435267 635676540 /nfs/dbraw/zinc/67/65/40/635676540.db2.gz RTNGJSQHGWPYKX-KBVBSXBZSA-N 0 0 269.747 3.463 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2CC3(CCC3)C2)cc1 ZINC000843757889 635776126 /nfs/dbraw/zinc/77/61/26/635776126.db2.gz HMWJKHNASXVJIK-UHFFFAOYSA-N 0 0 286.419 3.291 20 10 CGCDRN COc1ccc(N(C)CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000844353727 635878278 /nfs/dbraw/zinc/87/82/78/635878278.db2.gz XRCHEBWGKKNIGF-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C3CC3)o2)cc1 ZINC000844353522 635878711 /nfs/dbraw/zinc/87/87/11/635878711.db2.gz XLRGQXIENWPNMY-UHFFFAOYSA-N 0 0 258.321 3.197 20 10 CGCDRN COc1ccc(N(C)CCN(C)c2ncc(C)s2)cc1 ZINC000845674215 636072246 /nfs/dbraw/zinc/07/22/46/636072246.db2.gz WNZCZQOMXPBGTA-UHFFFAOYSA-N 0 0 291.420 3.033 20 10 CGCDRN CC(C)c1nnc(NCc2cc(Cl)ccc2O)o1 ZINC000845709496 636084590 /nfs/dbraw/zinc/08/45/90/636084590.db2.gz RZYJKHAJFZLJSS-UHFFFAOYSA-N 0 0 267.716 3.164 20 10 CGCDRN Nc1ccc(OCc2cn(CCCC3CCC3)nn2)cc1 ZINC000881323878 636099036 /nfs/dbraw/zinc/09/90/36/636099036.db2.gz AHTJTDFHAZNYSG-UHFFFAOYSA-N 0 0 286.379 3.020 20 10 CGCDRN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000846013260 636129169 /nfs/dbraw/zinc/12/91/69/636129169.db2.gz JAOGXMKJBCPODJ-SKDRFNHKSA-N 0 0 289.778 3.071 20 10 CGCDRN COc1cccc([C@H](C)Nc2ccc(C)nc2)c1O ZINC000846159755 636151126 /nfs/dbraw/zinc/15/11/26/636151126.db2.gz JMVXCJHMCQWJAU-NSHDSACASA-N 0 0 258.321 3.277 20 10 CGCDRN CC/C=C(/C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473644 636187112 /nfs/dbraw/zinc/18/71/12/636187112.db2.gz VFCSVLHIPVAHPP-WTKPLQERSA-N 0 0 253.729 3.018 20 10 CGCDRN O=C(C[C@H]1C=CCC1)NCc1cc(Cl)ccc1O ZINC000846480255 636189996 /nfs/dbraw/zinc/18/99/96/636189996.db2.gz UNOLGIWADAVSBX-JTQLQIEISA-N 0 0 265.740 3.018 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC12CCCC2 ZINC000846714013 636220148 /nfs/dbraw/zinc/22/01/48/636220148.db2.gz BULOEGBNFTULSR-ZDUSSCGKSA-N 0 0 294.782 3.178 20 10 CGCDRN Cc1ccc2c(c1)N[C@@H](c1ccc(N(C)C)cc1C)NC2=O ZINC000846761295 636232138 /nfs/dbraw/zinc/23/21/38/636232138.db2.gz VSRHJCHQYFZPTR-QGZVFWFLSA-N 0 0 295.386 3.224 20 10 CGCDRN COC(=O)c1cnc(SC[C@H]2CCC3(CCC3)O2)s1 ZINC000882173647 636277171 /nfs/dbraw/zinc/27/71/71/636277171.db2.gz LOUZEUIWDSHNGZ-SECBINFHSA-N 0 0 299.417 3.124 20 10 CGCDRN CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)ccc1O ZINC000131482146 636666571 /nfs/dbraw/zinc/66/65/71/636666571.db2.gz MEBLWDZYHGNHGP-ZWNOBZJWSA-N 0 0 269.772 3.045 20 10 CGCDRN CCc1cccc(CNc2cnn(C)c2C2CC2)c1O ZINC000848903332 636682663 /nfs/dbraw/zinc/68/26/63/636682663.db2.gz PVOFGOZGVPDNKW-UHFFFAOYSA-N 0 0 271.364 3.178 20 10 CGCDRN CCc1cccc(CN2CCOCc3ccccc32)c1O ZINC000848912492 636687575 /nfs/dbraw/zinc/68/75/75/636687575.db2.gz GLCFAIXSQHZRCS-UHFFFAOYSA-N 0 0 283.371 3.491 20 10 CGCDRN CCOc1cccc(CNc2cnc(C)c(C)c2)c1O ZINC000883342166 636690206 /nfs/dbraw/zinc/69/02/06/636690206.db2.gz MWZGMVOYNSNLCS-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000848926160 636698923 /nfs/dbraw/zinc/69/89/23/636698923.db2.gz MFKMACPVPBYBGE-JTQLQIEISA-N 0 0 294.757 3.301 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccc3ncnn3c2)cc1 ZINC000883409666 636748076 /nfs/dbraw/zinc/74/80/76/636748076.db2.gz BUJSHXRKBZSUKJ-UHFFFAOYSA-N 0 0 295.390 3.188 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1c(C)noc1C ZINC000027959655 636771991 /nfs/dbraw/zinc/77/19/91/636771991.db2.gz FONNXKLBGAMOKG-UHFFFAOYSA-N 0 0 272.348 3.253 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C(F)(F)F)cc12 ZINC000849398899 636820801 /nfs/dbraw/zinc/82/08/01/636820801.db2.gz BKHKJWSFPVBKPH-UHFFFAOYSA-N 0 0 271.238 3.263 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C ZINC000132754537 636835308 /nfs/dbraw/zinc/83/53/08/636835308.db2.gz FGHPRFFTCNSTON-AOOOYVTPSA-N 0 0 284.197 3.243 20 10 CGCDRN CCC[C@@H](C)CCNC(=O)NCc1cccc(OC)c1O ZINC000883875314 636867493 /nfs/dbraw/zinc/86/74/93/636867493.db2.gz PPKDUMKUUNNUMC-GFCCVEGCSA-N 0 0 294.395 3.026 20 10 CGCDRN C[C@@H]1CCCN(C(=O)CSc2ncc(Cl)s2)C1 ZINC000849998051 636924112 /nfs/dbraw/zinc/92/41/12/636924112.db2.gz JLKICPDARUHFBP-MRVPVSSYSA-N 0 0 290.841 3.147 20 10 CGCDRN CC(C)(C)n1cc(CSc2ncc(Cl)s2)nn1 ZINC000850001272 636924935 /nfs/dbraw/zinc/92/49/35/636924935.db2.gz DTJNHPSJKWXWLC-UHFFFAOYSA-N 0 0 288.829 3.435 20 10 CGCDRN CCCCOC(=O)CSc1ncc(Cl)s1 ZINC000849999292 636925257 /nfs/dbraw/zinc/92/52/57/636925257.db2.gz XWZAZCGSZFVKJM-UHFFFAOYSA-N 0 0 265.787 3.232 20 10 CGCDRN CCCNC(=O)CCCSc1ncc(Cl)s1 ZINC000850001697 636926192 /nfs/dbraw/zinc/92/61/92/636926192.db2.gz KMCSLCGMZSUMQW-UHFFFAOYSA-N 0 0 278.830 3.195 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCCF)cc1 ZINC000884082932 636967024 /nfs/dbraw/zinc/96/70/24/636967024.db2.gz YUSPQTXXQZZYIM-UHFFFAOYSA-N 0 0 295.402 3.034 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCOc2ccccc2C1 ZINC000134098011 636998148 /nfs/dbraw/zinc/99/81/48/636998148.db2.gz XBYAGRZWBNQQEN-UHFFFAOYSA-N 0 0 289.762 3.440 20 10 CGCDRN CN(C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1)c1ccc(N)cc1 ZINC000884442029 637027843 /nfs/dbraw/zinc/02/78/43/637027843.db2.gz UXJBUMDCEHBFLA-PPUGGXLSSA-N 0 0 298.361 3.302 20 10 CGCDRN CC[C@H]([NH2+]CCC1CC(OC)C1)c1ccc(F)cc1[O-] ZINC000850480997 637084630 /nfs/dbraw/zinc/08/46/30/637084630.db2.gz DGEBHJBBPUEKJH-HGMXIMQMSA-N 0 0 281.371 3.387 20 10 CGCDRN CC1=CC[C@@](C)(C(=O)NCc2ccc(N)cc2)CC1 ZINC000850711794 637135301 /nfs/dbraw/zinc/13/53/01/637135301.db2.gz RIXAWWXDSXXOPE-MRXNPFEDSA-N 0 0 258.365 3.022 20 10 CGCDRN COc1ccc(N(C[C@@H]2C[C@]23CCOC3)C(C)C)cc1F ZINC000886060253 637393887 /nfs/dbraw/zinc/39/38/87/637393887.db2.gz YFDLNORAVSHQPI-GUYCJALGSA-N 0 0 293.382 3.476 20 10 CGCDRN CCCCOCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886487731 637538007 /nfs/dbraw/zinc/53/80/07/637538007.db2.gz RUSMIXWBEDTYMW-GFCCVEGCSA-N 0 0 269.360 3.389 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CCCCC1 ZINC000886509081 637545194 /nfs/dbraw/zinc/54/51/94/637545194.db2.gz ZTMUCPGOMCLWJE-OLZOCXBDSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886512644 637547013 /nfs/dbraw/zinc/54/70/13/637547013.db2.gz JYDCSFKGNGSZMX-ZUZCIYMTSA-N 0 0 293.313 3.055 20 10 CGCDRN CCc1nc(CN[C@@H](C)c2c(O)cccc2F)cs1 ZINC000886525056 637552556 /nfs/dbraw/zinc/55/25/56/637552556.db2.gz WKVNGESALPJMGZ-VIFPVBQESA-N 0 0 280.368 3.401 20 10 CGCDRN Cc1cnc(CN[C@H](C)c2c(O)cccc2F)s1 ZINC000886532448 637558394 /nfs/dbraw/zinc/55/83/94/637558394.db2.gz JFBYFKSQECYILK-SECBINFHSA-N 0 0 266.341 3.147 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000219899611 637582634 /nfs/dbraw/zinc/58/26/34/637582634.db2.gz FOLDFXGODLYNHN-KWQFWETISA-N 0 0 290.190 3.356 20 10 CGCDRN CC(C)OCCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886587712 637593898 /nfs/dbraw/zinc/59/38/98/637593898.db2.gz DDXJMXCAQKNCLX-LBPRGKRZSA-N 0 0 269.360 3.387 20 10 CGCDRN C[C@@H](N[C@@H]1CCCC1(F)F)c1c(O)cccc1F ZINC000886610937 637604513 /nfs/dbraw/zinc/60/45/13/637604513.db2.gz NYDRWHNXIUXMGI-LDYMZIIASA-N 0 0 259.271 3.370 20 10 CGCDRN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1c(O)cccc1F ZINC000886620093 637613093 /nfs/dbraw/zinc/61/30/93/637613093.db2.gz BPKPMEHZIGBKQT-SCVCMEIPSA-N 0 0 275.327 3.084 20 10 CGCDRN CCn1cc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886621874 637613198 /nfs/dbraw/zinc/61/31/98/637613198.db2.gz DULSIIOYWVLIFE-QWRGUYRKSA-N 0 0 277.343 3.160 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1c([O-])cccc1F ZINC000886625531 637615999 /nfs/dbraw/zinc/61/59/99/637615999.db2.gz UEPSMBAMZJPEHB-NSHDSACASA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1c([O-])cccc1F ZINC000886651685 637631773 /nfs/dbraw/zinc/63/17/73/637631773.db2.gz OSVHBZPWCNEHHT-NWDGAFQWSA-N 0 0 279.355 3.284 20 10 CGCDRN Cc1cc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)ccc1N(C)C ZINC000852442505 637652985 /nfs/dbraw/zinc/65/29/85/637652985.db2.gz FGQVQOJWQQFRLQ-HNNXBMFYSA-N 0 0 288.435 3.204 20 10 CGCDRN C[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(Cl)cc1O ZINC000886803148 637698856 /nfs/dbraw/zinc/69/88/56/637698856.db2.gz DSUWXGICSLXILB-RDDDGLTNSA-N 0 0 297.704 3.010 20 10 CGCDRN CCCc1nccnc1NCc1ccc(N(C)C)cc1 ZINC000853027683 637737710 /nfs/dbraw/zinc/73/77/10/637737710.db2.gz DGWWRTMPLFFEHF-UHFFFAOYSA-N 0 0 270.380 3.107 20 10 CGCDRN Oc1ccc(-c2csc(NCC3CC3)n2)cc1O ZINC000887282830 637789561 /nfs/dbraw/zinc/78/95/61/637789561.db2.gz CNAZVDPFNISQBX-UHFFFAOYSA-N 0 0 262.334 3.043 20 10 CGCDRN Nc1ccc(NC(=O)N2CC3CC2(c2ccccc2)C3)cc1 ZINC000853321150 637808507 /nfs/dbraw/zinc/80/85/07/637808507.db2.gz KVPVXQLNKLYEKC-UHFFFAOYSA-N 0 0 293.370 3.422 20 10 CGCDRN Cc1sc(C(C)C)nc1-c1cn(-c2ccc(N)cc2)nn1 ZINC000887402236 637819282 /nfs/dbraw/zinc/81/92/82/637819282.db2.gz XAZRQUPZLDFNCT-UHFFFAOYSA-N 0 0 299.403 3.405 20 10 CGCDRN CC(C)(C)c1cnc(Sc2cnccn2)s1 ZINC000853447103 637846255 /nfs/dbraw/zinc/84/62/55/637846255.db2.gz RLTXUAHWMZAWLQ-UHFFFAOYSA-N 0 0 251.380 3.382 20 10 CGCDRN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853543779 637865525 /nfs/dbraw/zinc/86/55/25/637865525.db2.gz JUYKVCTULOVEGT-KDURUIRLSA-N 0 0 297.398 3.404 20 10 CGCDRN O=C(NCCCSc1nccs1)NCC1=CCCC1 ZINC000853859067 637943459 /nfs/dbraw/zinc/94/34/59/637943459.db2.gz QVJCRRVYXQAYFF-UHFFFAOYSA-N 0 0 297.449 3.035 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(F)cc1[O-] ZINC000854226107 638028073 /nfs/dbraw/zinc/02/80/73/638028073.db2.gz NXAOAAJYGKXNHG-HWPZZCPQSA-N 0 0 286.350 3.452 20 10 CGCDRN Cc1cc(CC(=O)N[C@H]2CC23CC3)c(C)n1-c1ccccc1 ZINC000854984132 638130581 /nfs/dbraw/zinc/13/05/81/638130581.db2.gz CYBQBIVMOIPXFU-KRWDZBQOSA-N 0 0 294.398 3.305 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CC[C@H](C2CCCCC2)C1 ZINC000855637315 638227127 /nfs/dbraw/zinc/22/71/27/638227127.db2.gz XZOIGNIUJXLCLH-ZDUSSCGKSA-N 0 0 289.375 3.140 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCC[C@H]1CC1CCC1 ZINC000856271728 638331507 /nfs/dbraw/zinc/33/15/07/638331507.db2.gz LQJNDGSGVADRTA-ZDUSSCGKSA-N 0 0 289.375 3.283 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2cc3ccccc3o2)c1 ZINC000114540779 638374461 /nfs/dbraw/zinc/37/44/61/638374461.db2.gz MGGJWCLAQRMNNR-UHFFFAOYSA-N 0 0 297.310 3.077 20 10 CGCDRN CCCc1ccc(C=C2SC(=S)NC2=O)s1 ZINC000856720351 638376985 /nfs/dbraw/zinc/37/69/85/638376985.db2.gz HWCCCIWLUBFVGD-RMKNXTFCSA-N 0 0 269.416 3.189 20 10 CGCDRN Cc1cccc(Cl)c1C(=O)NCc1ccccc1O ZINC000857472735 638508991 /nfs/dbraw/zinc/50/89/91/638508991.db2.gz YIWLAIYKUGDRLJ-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H]1C ZINC000115678338 638576663 /nfs/dbraw/zinc/57/66/63/638576663.db2.gz DMBDYADSAAMWAU-LRDDRELGSA-N 0 0 289.423 3.049 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000858095177 638626042 /nfs/dbraw/zinc/62/60/42/638626042.db2.gz MGZPZJAGJSFAHD-TZMCWYRMSA-N 0 0 276.380 3.079 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC2CC2)ccc1C ZINC000858111636 638630972 /nfs/dbraw/zinc/63/09/72/638630972.db2.gz MUWZPGQBMSFKTE-UHFFFAOYSA-N 0 0 296.370 3.107 20 10 CGCDRN CC[C@H](NCc1c(O)cccc1Br)C(F)F ZINC000858171334 638649925 /nfs/dbraw/zinc/64/99/25/638649925.db2.gz VEOWRIOFJKWUIG-VIFPVBQESA-N 0 0 294.139 3.288 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(Cl)c1[O-] ZINC000858563104 638762511 /nfs/dbraw/zinc/76/25/11/638762511.db2.gz NACLUYTXQTYTLG-CYBMUJFWSA-N 0 0 292.766 3.387 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC[C@H]2CC=CCC2)c1 ZINC000858823422 639025076 /nfs/dbraw/zinc/02/50/76/639025076.db2.gz UYFZGOBROKMYKR-AWEZNQCLSA-N 0 0 288.391 3.246 20 10 CGCDRN CN(C)c1ccc(CNC(=O)NC2(C)CCCCC2)cc1 ZINC000116523545 639076420 /nfs/dbraw/zinc/07/64/20/639076420.db2.gz UODXPWGHWZDPEG-UHFFFAOYSA-N 0 0 289.423 3.275 20 10 CGCDRN CCN(C)c1ccc(CN2Cc3ccc(O)cc3C2)cc1 ZINC000859477260 639149620 /nfs/dbraw/zinc/14/96/20/639149620.db2.gz NHGSDBNYXDQDGX-UHFFFAOYSA-N 0 0 282.387 3.364 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862026644 639634864 /nfs/dbraw/zinc/63/48/64/639634864.db2.gz VYRFEAXVLHEQHH-SWLSCSKDSA-N 0 0 298.386 3.383 20 10 CGCDRN CC1(C)CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027059 639634927 /nfs/dbraw/zinc/63/49/27/639634927.db2.gz IEYXEEKSVBJHKH-AWEZNQCLSA-N 0 0 298.386 3.383 20 10 CGCDRN CC(C)C[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027047 639635078 /nfs/dbraw/zinc/63/50/78/639635078.db2.gz HUEFQRAZBAOMQN-GFCCVEGCSA-N 0 0 286.375 3.239 20 10 CGCDRN CC(C)(C)/C=C\C(=O)NCc1ccc2cccnc2c1O ZINC000862027671 639636132 /nfs/dbraw/zinc/63/61/32/639636132.db2.gz BKQKNAWEABNZKQ-HJWRWDBZSA-N 0 0 284.359 3.159 20 10 CGCDRN O=C(CC1=CCCCC1)NCc1ccc2cccnc2c1O ZINC000862028180 639636730 /nfs/dbraw/zinc/63/67/30/639636730.db2.gz SGEQEWCVAZERIP-UHFFFAOYSA-N 0 0 296.370 3.447 20 10 CGCDRN Cc1ccccc1[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000934705486 639662897 /nfs/dbraw/zinc/66/28/97/639662897.db2.gz QVZBDJCBIVPXJQ-AWEZNQCLSA-N 0 0 283.371 3.463 20 10 CGCDRN O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NCc1ccccc1O ZINC000934934889 639719408 /nfs/dbraw/zinc/71/94/08/639719408.db2.gz DTFDURZEENJFGU-SJORKVTESA-N 0 0 295.382 3.277 20 10 CGCDRN C[C@@H](NC(=O)[C@@]1(C)C=CCC1)c1ccc(N(C)C)cc1 ZINC000935466496 639820995 /nfs/dbraw/zinc/82/09/95/639820995.db2.gz ZBORBMUHFKITNC-DYVFJYSZSA-N 0 0 272.392 3.286 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000042117189 639911030 /nfs/dbraw/zinc/91/10/30/639911030.db2.gz OOUSVVCTJRPGID-UHFFFAOYSA-N 0 0 269.344 3.281 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)C3(C)CC3)cc2)CC1 ZINC000156800693 639984827 /nfs/dbraw/zinc/98/48/27/639984827.db2.gz JNIMDEWBXKJMFO-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN Cc1ccccc1NC(=O)CSc1nccs1 ZINC000047238772 640007158 /nfs/dbraw/zinc/00/71/58/640007158.db2.gz VZDWHQHUKPBGBC-UHFFFAOYSA-N 0 0 264.375 3.182 20 10 CGCDRN O=C(CSc1nccs1)N(C1CC1)C1CCCC1 ZINC000077590945 640248644 /nfs/dbraw/zinc/24/86/44/640248644.db2.gz CRBPFJSICWWLPP-UHFFFAOYSA-N 0 0 282.434 3.169 20 10 CGCDRN Cc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)no1 ZINC000078885651 640351339 /nfs/dbraw/zinc/35/13/39/640351339.db2.gz JLHRPAMCCIZZSP-UHFFFAOYSA-N 0 0 296.330 3.038 20 10 CGCDRN CC[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000079357318 640396495 /nfs/dbraw/zinc/39/64/95/640396495.db2.gz QUPVYRZIIOSXPF-LBPRGKRZSA-N 0 0 261.369 3.313 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC=CCC1 ZINC000080122483 640449900 /nfs/dbraw/zinc/44/99/00/640449900.db2.gz SFOAPAZSZZMERF-LLVKDONJSA-N 0 0 282.181 3.353 20 10 CGCDRN O=[N+]([O-])c1ccc(F)cc1CSc1nccs1 ZINC000194357921 640527354 /nfs/dbraw/zinc/52/73/54/640527354.db2.gz BUBIIRKHKYZBQO-UHFFFAOYSA-N 0 0 270.310 3.483 20 10 CGCDRN CCOC(=O)[C@H](Cc1ccccc1)Sc1nccs1 ZINC000194358021 640527833 /nfs/dbraw/zinc/52/78/33/640527833.db2.gz SFRVWWIYMVLVLL-LBPRGKRZSA-N 0 0 293.413 3.410 20 10 CGCDRN CC(=O)c1ccc(NC(=S)NCc2ncccc2C)cc1 ZINC000244454871 640615355 /nfs/dbraw/zinc/61/53/55/640615355.db2.gz ZDXOZRFILDEXLK-UHFFFAOYSA-N 0 0 299.399 3.079 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@@H](C)O1 ZINC000248852351 640784232 /nfs/dbraw/zinc/78/42/32/640784232.db2.gz BMAVKIBXYXVWOC-MFKMUULPSA-N 0 0 299.798 3.054 20 10 CGCDRN Cn1c2ccc3ncccc3c2nc1-c1ccc(O)c(O)c1 ZINC001250464570 805632036 /nfs/dbraw/zinc/63/20/36/805632036.db2.gz CIRMUFFPXUQNLL-UHFFFAOYSA-N 0 0 291.310 3.200 20 10 CGCDRN CC[C@@H](NC(=O)NCc1cc(C)ccc1O)[C@@H]1CC1(C)C ZINC001252027679 805976968 /nfs/dbraw/zinc/97/69/68/805976968.db2.gz HZTATMYMMGTLRX-UONOGXRCSA-N 0 0 290.407 3.325 20 10 CGCDRN COc1cccc2c1ccnc2NCc1ccc(O)c(O)c1 ZINC001158997352 806029325 /nfs/dbraw/zinc/02/93/25/806029325.db2.gz DHQFVNKRKQJMLV-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN CCSc1ccnc(NCc2ccc(O)c(O)c2)c1 ZINC001159004617 806030737 /nfs/dbraw/zinc/03/07/37/806030737.db2.gz GEKBAAYDNZYEBP-UHFFFAOYSA-N 0 0 276.361 3.217 20 10 CGCDRN COc1ccc(Nc2ccc(N)cc2)c(Br)n1 ZINC001159275008 806071845 /nfs/dbraw/zinc/07/18/45/806071845.db2.gz WQWBTXMXWUJCOI-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN COc1cc(SC)c(Nc2ccc(N)cc2)cn1 ZINC001159484813 806111491 /nfs/dbraw/zinc/11/14/91/806111491.db2.gz BMWYDYARKSTTOW-UHFFFAOYSA-N 0 0 261.350 3.138 20 10 CGCDRN CCOC(=O)c1cc(F)c(F)cc1Nc1ccc(N)cc1 ZINC001160000604 806212311 /nfs/dbraw/zinc/21/23/11/806212311.db2.gz YUOIEELENNQJQJ-UHFFFAOYSA-N 0 0 292.285 3.467 20 10 CGCDRN Nc1ccc(Nc2ccc(Br)c(N)c2)cc1 ZINC001160303791 806253316 /nfs/dbraw/zinc/25/33/16/806253316.db2.gz SCEXHGGPIDYSOP-UHFFFAOYSA-N 0 0 278.153 3.357 20 10 CGCDRN CCCc1cncnc1NCc1c(C)cc(C)cc1O ZINC001160810433 806305936 /nfs/dbraw/zinc/30/59/36/806305936.db2.gz PXJIWEGRVDUTCA-UHFFFAOYSA-N 0 0 271.364 3.364 20 10 CGCDRN Oc1ccccc1CNc1nc(C2CC2)nc2c1CCC2 ZINC001253892220 806318972 /nfs/dbraw/zinc/31/89/72/806318972.db2.gz NPHSHFCQNBEJCD-UHFFFAOYSA-N 0 0 281.359 3.160 20 10 CGCDRN CCC[C@@H](C)CCNC(=O)NCc1ccccc1O ZINC001254804940 806490838 /nfs/dbraw/zinc/49/08/38/806490838.db2.gz ABKCPWCQTREXSQ-GFCCVEGCSA-N 0 0 264.369 3.018 20 10 CGCDRN Cc1ccc2ncnc(NCc3ccc(N)cc3)c2c1 ZINC001162784825 806664504 /nfs/dbraw/zinc/66/45/04/806664504.db2.gz YKRWFMURZNMFFH-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN Cc1cccc2ncnc(NCc3ccc(N)cc3)c12 ZINC001162785842 806666197 /nfs/dbraw/zinc/66/61/97/806666197.db2.gz LODQKIUTAADCTA-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN Nc1ccc(CNc2ncc3cc(Cl)ccc3n2)cc1 ZINC001162786520 806666302 /nfs/dbraw/zinc/66/63/02/806666302.db2.gz ZVAMFDFIZIMMIN-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN Cc1ccc(C(F)(F)NCc2ccc(N)cc2)nc1Cl ZINC001162786480 806666334 /nfs/dbraw/zinc/66/63/34/806666334.db2.gz XSDHJXPZALALOA-UHFFFAOYSA-N 0 0 297.736 3.465 20 10 CGCDRN CCNC(=O)c1ccc(C)c(NCc2ccccc2O)c1 ZINC000037118688 798858653 /nfs/dbraw/zinc/85/86/53/798858653.db2.gz CWOAYYWGRDZUMQ-UHFFFAOYSA-N 0 0 284.359 3.062 20 10 CGCDRN Nc1ccc(NC(=O)NCCC2CCCCC2)cc1 ZINC000037742192 798873567 /nfs/dbraw/zinc/87/35/67/798873567.db2.gz PTHMJLHACGDFKQ-UHFFFAOYSA-N 0 0 261.369 3.361 20 10 CGCDRN Cc1cc(C)nc(NCc2cc(Cl)ccc2O)n1 ZINC000083461666 798939562 /nfs/dbraw/zinc/93/95/62/798939562.db2.gz ZNBGISKXQRVEMH-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCOC(C)(C)C2)c1 ZINC000126272443 799006505 /nfs/dbraw/zinc/00/65/05/799006505.db2.gz DATHOWXBFFDCKP-UHFFFAOYSA-N 0 0 293.407 3.006 20 10 CGCDRN CC[C@H](C)NC(=O)[C@@H](Sc1nccs1)C(C)C ZINC000133248113 799034496 /nfs/dbraw/zinc/03/44/96/799034496.db2.gz WDWVAHRFVRFVKC-UWVGGRQHSA-N 0 0 272.439 3.175 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(-c3ccncc3)o2)cc1C ZINC000154789520 799061132 /nfs/dbraw/zinc/06/11/32/799061132.db2.gz NZZNZNRRZXYBKO-UHFFFAOYSA-N 0 0 296.330 3.066 20 10 CGCDRN CCN(Cc1ccccc1NCc1ccccc1O)C(C)=O ZINC000155533704 799063017 /nfs/dbraw/zinc/06/30/17/799063017.db2.gz RNPCDSWCMFPFKG-UHFFFAOYSA-N 0 0 298.386 3.373 20 10 CGCDRN COc1cc(NCc2cccc(OC)c2O)ccc1F ZINC000159922884 799074322 /nfs/dbraw/zinc/07/43/22/799074322.db2.gz OKCYAFAJKYAFST-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN CC(C(=O)NCc1ccc(N(C)C)c(F)c1)=C1CCCC1 ZINC000176591428 799100769 /nfs/dbraw/zinc/10/07/69/799100769.db2.gz SGIQISUKECGWJM-UHFFFAOYSA-N 0 0 290.382 3.398 20 10 CGCDRN CCOC(=O)c1cnc(Sc2ccc(OC)cc2)s1 ZINC000311593940 799224796 /nfs/dbraw/zinc/22/47/96/799224796.db2.gz RLFBFTHTNBXVCV-UHFFFAOYSA-N 0 0 295.385 3.480 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000311842317 799225747 /nfs/dbraw/zinc/22/57/47/799225747.db2.gz ULLZPGVBSPQLSU-LLVKDONJSA-N 0 0 269.360 3.245 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCCO1 ZINC000386357088 799435438 /nfs/dbraw/zinc/43/54/38/799435438.db2.gz LNENZYVNMJCMRM-ZWNOBZJWSA-N 0 0 269.772 3.093 20 10 CGCDRN CN(Cc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 ZINC000514260665 799665334 /nfs/dbraw/zinc/66/53/34/799665334.db2.gz HIFXVMWYNDTJIP-UHFFFAOYSA-N 0 0 277.270 3.330 20 10 CGCDRN C[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403575 799688786 /nfs/dbraw/zinc/68/87/86/799688786.db2.gz PABTUOILSICKNC-ZVTBTPLYSA-N 0 0 295.338 3.089 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC000588406480 799689301 /nfs/dbraw/zinc/68/93/01/799689301.db2.gz FJZABFPEWUBPHR-PSAVZBARSA-N 0 0 289.375 3.052 20 10 CGCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])O1 ZINC000688900863 799757593 /nfs/dbraw/zinc/75/75/93/799757593.db2.gz PRTSAIXMPNJZGZ-ZYHUDNBSSA-N 0 0 269.772 3.093 20 10 CGCDRN CCc1cc(NC(=O)c2cccc(O)c2O)ccc1F ZINC000690121591 799773132 /nfs/dbraw/zinc/77/31/32/799773132.db2.gz MAWVSYBODVOIMW-UHFFFAOYSA-N 0 0 275.279 3.052 20 10 CGCDRN Oc1ccc(F)cc1CNc1cccc2c1CCO2 ZINC000690262017 799773944 /nfs/dbraw/zinc/77/39/44/799773944.db2.gz XNRCVKPLFNDAFW-UHFFFAOYSA-N 0 0 259.280 3.078 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000693908964 799818487 /nfs/dbraw/zinc/81/84/87/799818487.db2.gz CLBNUSQITYOUBW-YPMHNXCESA-N 0 0 280.387 3.055 20 10 CGCDRN CCC(F)(F)CN[C@H](C)c1cc(OC)ccc1O ZINC000700170390 799868988 /nfs/dbraw/zinc/86/89/88/799868988.db2.gz YJRGVPAGSIXHMS-SECBINFHSA-N 0 0 259.296 3.097 20 10 CGCDRN CC1(C)C[C@]1(C)[NH2+]Cc1ccc(Br)cc1O ZINC000702031156 799902472 /nfs/dbraw/zinc/90/24/72/799902472.db2.gz VPROHLIHUVFPPN-ZDUSSCGKSA-N 0 0 284.197 3.433 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2Cc3ccccc32)ccc(F)c1F ZINC000703234251 799920217 /nfs/dbraw/zinc/92/02/17/799920217.db2.gz PLMOMDKQXVEBLK-GFCCVEGCSA-N 0 0 275.298 3.100 20 10 CGCDRN Cc1cnc(C)c(NCc2cc(Cl)ccc2O)n1 ZINC001163681784 806799305 /nfs/dbraw/zinc/79/93/05/806799305.db2.gz SKYWKWQZMPXOGX-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711846671 800076675 /nfs/dbraw/zinc/07/66/75/800076675.db2.gz PYWQGZBFTFANCR-DZGCQCFKSA-N 0 0 295.810 3.340 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719536720 800241176 /nfs/dbraw/zinc/24/11/76/800241176.db2.gz DXYZGGPJVUQIKL-UHFFFAOYSA-N 0 0 294.807 3.281 20 10 CGCDRN CC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC(F)(F)C1 ZINC000720924529 800271860 /nfs/dbraw/zinc/27/18/60/800271860.db2.gz WWOJRZQBPIFGPL-UHFFFAOYSA-N 0 0 277.261 3.195 20 10 CGCDRN CSCCCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772997812 800385404 /nfs/dbraw/zinc/38/54/04/800385404.db2.gz HTNHKHGINUWNRV-ZDUSSCGKSA-N 0 0 294.464 3.463 20 10 CGCDRN O=[N+]([O-])c1ccc(Sc2ncc(Cl)s2)nc1 ZINC001163818102 806833012 /nfs/dbraw/zinc/83/30/12/806833012.db2.gz QOLPHSFMSQAJKD-UHFFFAOYSA-N 0 0 273.726 3.251 20 10 CGCDRN Cc1ccc(-c2nnc(-c3cc(O)c(O)c(O)c3)o2)cc1C ZINC001256531922 806910814 /nfs/dbraw/zinc/91/08/14/806910814.db2.gz VOUQCQYTMVXJRQ-UHFFFAOYSA-N 0 0 298.298 3.137 20 10 CGCDRN C[C@@H]1C[C@H]1c1nnc(/C=C/c2ccc(N(C)C)cc2)o1 ZINC001256669134 806945044 /nfs/dbraw/zinc/94/50/44/806945044.db2.gz UPBNUTBHALFPJY-XKVOAVTDSA-N 0 0 269.348 3.429 20 10 CGCDRN C[C@@H]([NH2+]C/C=C/C1CC1)c1cc(F)cc(F)c1[O-] ZINC001117751932 802487202 /nfs/dbraw/zinc/48/72/02/802487202.db2.gz XJXIZAAVRULDCY-GKQMSVHHSA-N 0 0 253.292 3.287 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC001118099215 802526361 /nfs/dbraw/zinc/52/63/61/802526361.db2.gz LXFKVYCJSZREGD-NWANDNLSSA-N 0 0 292.398 3.458 20 10 CGCDRN COCOc1ccc(F)cc1N(C)c1ccc(N)cc1 ZINC001176722518 809749918 /nfs/dbraw/zinc/74/99/18/809749918.db2.gz BTKMCJFEXGWCAR-UHFFFAOYSA-N 0 0 276.311 3.159 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC001120071952 802732910 /nfs/dbraw/zinc/73/29/10/802732910.db2.gz PRUJKQJMVSANEK-CQSZACIVSA-N 0 0 299.773 3.376 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccsc1 ZINC001165497202 807005367 /nfs/dbraw/zinc/00/53/67/807005367.db2.gz BLAVCBLSVBXCRU-UHFFFAOYSA-N 0 0 267.737 3.037 20 10 CGCDRN CC(C)Nc1ccc(Nc2cccc(C(N)=O)c2)cc1 ZINC001201498364 811869559 /nfs/dbraw/zinc/86/95/59/811869559.db2.gz VZTSZVWABBFIED-UHFFFAOYSA-N 0 0 269.348 3.349 20 10 CGCDRN CCCCCC[C@H](C)C(=O)NCc1cccc(O)c1O ZINC001123977255 802986241 /nfs/dbraw/zinc/98/62/41/802986241.db2.gz CWYCSWMHMFVMRA-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN Cn1ccc2ncc(-c3cc(F)c(F)c(F)c3N)cc21 ZINC001244169754 803221111 /nfs/dbraw/zinc/22/11/11/803221111.db2.gz DIWGCYZGYCCUMM-UHFFFAOYSA-N 0 0 277.249 3.240 20 10 CGCDRN Cc1ccccc1N(C)C(=O)/C=C\c1cccnc1C ZINC001131330141 803321127 /nfs/dbraw/zinc/32/11/27/803321127.db2.gz LGWSHPJXGPAWFL-KHPPLWFESA-N 0 0 266.344 3.375 20 10 CGCDRN O=C(Nc1cc(F)cc(Cl)c1)C1=CC(=O)CS1 ZINC001137510003 803738076 /nfs/dbraw/zinc/73/80/76/803738076.db2.gz IBIPFOQKMQXPPD-UHFFFAOYSA-N 0 0 271.700 3.499 20 10 CGCDRN Oc1cccc(F)c1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001137832819 803776705 /nfs/dbraw/zinc/77/67/05/803776705.db2.gz JHBYPIRPWONRHQ-LBPRGKRZSA-N 0 0 277.261 3.101 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001137831628 803778498 /nfs/dbraw/zinc/77/84/98/803778498.db2.gz HZGBTRVFXHOUIB-HNNXBMFYSA-N 0 0 272.323 3.263 20 10 CGCDRN Oc1cccc(F)c1CN1CCC[C@@H]1c1nccs1 ZINC001137838699 803781080 /nfs/dbraw/zinc/78/10/80/803781080.db2.gz HYTYMOXWVRTIFB-GFCCVEGCSA-N 0 0 278.352 3.325 20 10 CGCDRN Cc1cc(CN2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137854369 803785630 /nfs/dbraw/zinc/78/56/30/803785630.db2.gz SRUBWSWQDJYSQO-HNNXBMFYSA-N 0 0 284.403 3.315 20 10 CGCDRN Cc1cccc2c1C[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138122616 803862217 /nfs/dbraw/zinc/86/22/17/803862217.db2.gz PYHWJRWBESSECF-UHFFFAOYSA-N 0 0 257.308 3.356 20 10 CGCDRN Cc1cc(CN(C)Cc2c(C)n(C)c3ccccc23)n(C)n1 ZINC001138256902 803881680 /nfs/dbraw/zinc/88/16/80/803881680.db2.gz OUSDHOCUSHCYFN-UHFFFAOYSA-N 0 0 296.418 3.161 20 10 CGCDRN CCN(CC)c1ccc(CN(C)CC(F)F)c(OC)c1 ZINC001138392504 803914062 /nfs/dbraw/zinc/91/40/62/803914062.db2.gz YDBHOPKNGWUXIX-UHFFFAOYSA-N 0 0 286.366 3.238 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCc2sccc2C1 ZINC001139681356 804250646 /nfs/dbraw/zinc/25/06/46/804250646.db2.gz OVKNTBYKBWFYPO-UHFFFAOYSA-N 0 0 281.327 3.290 20 10 CGCDRN C[N@H+](Cc1ccsc1)Cc1c(F)ccc(F)c1[O-] ZINC001139682932 804251772 /nfs/dbraw/zinc/25/17/72/804251772.db2.gz FRJFOBNQZOQACP-UHFFFAOYSA-N 0 0 269.316 3.364 20 10 CGCDRN Cc1cccc2c1CN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685870 804252066 /nfs/dbraw/zinc/25/20/66/804252066.db2.gz ZLOYYCLVZAUXPV-UHFFFAOYSA-N 0 0 275.298 3.495 20 10 CGCDRN C[C@@H]1CCCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683102 804252377 /nfs/dbraw/zinc/25/23/77/804252377.db2.gz GFWPKIZEOFPRKO-SNVBAGLBSA-N 0 0 255.308 3.435 20 10 CGCDRN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686426 804254264 /nfs/dbraw/zinc/25/42/64/804254264.db2.gz ZCIRSDVEBGNEJX-AOOOYVTPSA-N 0 0 255.308 3.148 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(F)cc2Cl)no1 ZINC001212403022 815019436 /nfs/dbraw/zinc/01/94/36/815019436.db2.gz JZNLOIZLUKQAQQ-UHFFFAOYSA-N 0 0 296.714 3.356 20 10 CGCDRN C[C@H]1CCCC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583131 804467103 /nfs/dbraw/zinc/46/71/03/804467103.db2.gz WTYJMDXIRKAPIW-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN Cc1ccc(O)c(CN2CC(Oc3ccc(F)cc3)C2)c1 ZINC001140622976 804476747 /nfs/dbraw/zinc/47/67/47/804476747.db2.gz JOJYMASOSPYMNB-UHFFFAOYSA-N 0 0 287.334 3.103 20 10 CGCDRN CCN(CC)c1ccc(CN2CCCC(F)(F)C2)c(O)c1 ZINC001140851934 804533444 /nfs/dbraw/zinc/53/34/44/804533444.db2.gz VBSHDPDUGRCVHJ-UHFFFAOYSA-N 0 0 298.377 3.470 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@](C)(F)CC2)c(OC)c1 ZINC001141032127 804575057 /nfs/dbraw/zinc/57/50/57/804575057.db2.gz TYZONXSPBBUITA-INIZCTEOSA-N 0 0 297.370 3.124 20 10 CGCDRN CN(Cc1ccon1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077863 804584697 /nfs/dbraw/zinc/58/46/97/804584697.db2.gz CTFFGQVJNUDHPL-UHFFFAOYSA-N 0 0 297.402 3.005 20 10 CGCDRN C[C@@]1(CF)CC(F)(F)CN1Cc1cc(F)c(F)cc1O ZINC001142508560 804727630 /nfs/dbraw/zinc/72/76/30/804727630.db2.gz CTKOSJVOZBKQDE-LBPRGKRZSA-N 0 0 295.251 3.240 20 10 CGCDRN C[N@H+](Cc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142509043 804727939 /nfs/dbraw/zinc/72/79/39/804727939.db2.gz UZAFHEAKONRFJD-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN Cc1ccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)nc1 ZINC001247982037 804863905 /nfs/dbraw/zinc/86/39/05/804863905.db2.gz MZKWBGOYIHQEFF-QPJJXVBHSA-N 0 0 295.298 3.022 20 10 CGCDRN COc1c(F)ccc(Nc2cccc(O)c2O)c1F ZINC001212503606 815042865 /nfs/dbraw/zinc/04/28/65/815042865.db2.gz QZYNLFWBTVSDDW-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1nc(C)cc(C)n1 ZINC001248983705 805067563 /nfs/dbraw/zinc/06/75/63/805067563.db2.gz ZUZBJXWUQQQXHL-UHFFFAOYSA-N 0 0 298.434 3.182 20 10 CGCDRN CCc1cc(C(=O)N2CCc3cccc(O)c3C2)cs1 ZINC001147710290 805145612 /nfs/dbraw/zinc/14/56/12/805145612.db2.gz CTEHMJOQNFXPHB-UHFFFAOYSA-N 0 0 287.384 3.215 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(F)c1 ZINC001151892280 805320367 /nfs/dbraw/zinc/32/03/67/805320367.db2.gz MUZSQYUONXIBDP-NSHDSACASA-N 0 0 273.307 3.331 20 10 CGCDRN Cc1cccc2c(C(=O)NCc3ccccc3O)ccnc12 ZINC001154040444 805430546 /nfs/dbraw/zinc/43/05/46/805430546.db2.gz UJMPUDIBIXGBMF-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN Oc1cccc(Nc2ccc(Cl)c(O)c2)c1O ZINC001212592467 815079470 /nfs/dbraw/zinc/07/94/70/815079470.db2.gz RKUHHKQNMCNTEV-UHFFFAOYSA-N 0 0 251.669 3.200 20 10 CGCDRN CCN(Cc1ccccc1O)c1nc(C)nc2ccoc21 ZINC001154881050 805501570 /nfs/dbraw/zinc/50/15/70/805501570.db2.gz FYQIYBMGNNUXFA-UHFFFAOYSA-N 0 0 283.331 3.263 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(CC(C)C)ncn1 ZINC001154890980 805506120 /nfs/dbraw/zinc/50/61/20/805506120.db2.gz YVNZKZZJHNAYJN-UHFFFAOYSA-N 0 0 285.391 3.407 20 10 CGCDRN COCCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966216 807018194 /nfs/dbraw/zinc/01/81/94/807018194.db2.gz WDQGHXCBBFXOFT-UHFFFAOYSA-N 0 0 283.331 3.106 20 10 CGCDRN Cc1cc(CSc2ncc(Cl)s2)ncn1 ZINC001166595588 807060581 /nfs/dbraw/zinc/06/05/81/807060581.db2.gz VRWBRCPAJDLCRW-UHFFFAOYSA-N 0 0 257.771 3.187 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc(C)ccc2F)c1 ZINC001167293517 807176670 /nfs/dbraw/zinc/17/66/70/807176670.db2.gz HJGGWMNLZIZFKA-UHFFFAOYSA-N 0 0 273.307 3.078 20 10 CGCDRN CNc1ccccc1NCCC(=O)Nc1ccccc1 ZINC001168980375 807546167 /nfs/dbraw/zinc/54/61/67/807546167.db2.gz FEAYAYXXICSJCN-UHFFFAOYSA-N 0 0 269.348 3.169 20 10 CGCDRN Cc1c(C)c(NS(=O)(=O)C2CCCCC2)ccc1O ZINC001259814890 807689732 /nfs/dbraw/zinc/68/97/32/807689732.db2.gz ZPVBWGUMGZULIL-UHFFFAOYSA-N 0 0 283.393 3.083 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001261140002 807711973 /nfs/dbraw/zinc/71/19/73/807711973.db2.gz FLZMOQVAQGHNFV-XLKFXECMSA-N 0 0 293.754 3.497 20 10 CGCDRN Cc1ccc2c(cccc2N(CCO)c2ccc(N)cc2)n1 ZINC001212796958 815142140 /nfs/dbraw/zinc/14/21/40/815142140.db2.gz OURYFEOKQKOXBP-UHFFFAOYSA-N 0 0 293.370 3.256 20 10 CGCDRN Oc1ccc(CNc2nc(Cl)cnc2C2CC2)cc1O ZINC001169990260 807734163 /nfs/dbraw/zinc/73/41/63/807734163.db2.gz DIZYOJVNYDERDD-UHFFFAOYSA-N 0 0 291.738 3.031 20 10 CGCDRN CCc1ccc(F)c(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170321672 807827251 /nfs/dbraw/zinc/82/72/51/807827251.db2.gz CMIGBHWFCGJGRG-UHFFFAOYSA-N 0 0 289.306 3.094 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1cncc2nnoc21 ZINC001171406722 808048956 /nfs/dbraw/zinc/04/89/56/808048956.db2.gz DGGVSENCZOANRL-UHFFFAOYSA-N 0 0 292.298 3.089 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1O ZINC001171717167 808126114 /nfs/dbraw/zinc/12/61/14/808126114.db2.gz LKOYDZOTWYKLJW-LLVKDONJSA-N 0 0 280.327 3.365 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2ccc(F)cc21 ZINC001271117322 808760708 /nfs/dbraw/zinc/76/07/08/808760708.db2.gz ZNBJQDJTHBTOLP-XFXZXTDPSA-N 0 0 282.318 3.213 20 10 CGCDRN Oc1cccc(Nc2cccc(N3CCCC3)c2)c1O ZINC001174488072 809041363 /nfs/dbraw/zinc/04/13/63/809041363.db2.gz VYWWEHPEYUUJLE-UHFFFAOYSA-N 0 0 270.332 3.442 20 10 CGCDRN COc1ccc(N(C)c2ccc(N)cc2)c(OC)c1OC ZINC001174902128 809195873 /nfs/dbraw/zinc/19/58/73/809195873.db2.gz GFMTZUUUPQGXOF-UHFFFAOYSA-N 0 0 288.347 3.063 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(F)c(F)c1F ZINC001174971187 809222513 /nfs/dbraw/zinc/22/25/13/809222513.db2.gz CWZCSUIWCVMJKZ-UHFFFAOYSA-N 0 0 252.239 3.454 20 10 CGCDRN CN(c1ccc(N)cc1)c1cc(F)c(O)c(F)c1 ZINC001213386595 815274628 /nfs/dbraw/zinc/27/46/28/815274628.db2.gz KQRNETCWEWOUAW-UHFFFAOYSA-N 0 0 250.248 3.021 20 10 CGCDRN Cc1ccc(Cl)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001294894252 809477202 /nfs/dbraw/zinc/47/72/02/809477202.db2.gz VDKBHHRBDMHSJB-UHFFFAOYSA-N 0 0 291.734 3.241 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccnc(Cl)c1Cl ZINC001294925595 809478031 /nfs/dbraw/zinc/47/80/31/809478031.db2.gz PZLALXKQFRMMLY-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN O=C(c1ccncc1)c1ccccc1Nc1ccc(=O)[nH]c1 ZINC001176130653 809631702 /nfs/dbraw/zinc/63/17/02/809631702.db2.gz HWVYPPDVDVNJKA-UHFFFAOYSA-N 0 0 291.310 3.157 20 10 CGCDRN FC1(F)CCC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC001178859578 809891431 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ZINC001304053982 932841621 /nfs/dbraw/zinc/84/16/21/932841621.db2.gz YXKWKBHHSFEHAR-UHFFFAOYSA-N 0 0 285.343 3.151 20 10 CGCDRN Cc1ccc(C(=O)NC2(C3CCCCC3)CC2)c(O)c1O ZINC001304872068 932859668 /nfs/dbraw/zinc/85/96/68/932859668.db2.gz YQIWYXGYXBKZCY-UHFFFAOYSA-N 0 0 289.375 3.249 20 10 CGCDRN CC[C@@H]1COC(C)(C)CN1Cc1cc(F)c(F)cc1O ZINC001462417169 937639426 /nfs/dbraw/zinc/63/94/26/937639426.db2.gz YVDWNQXFWOOAOQ-LLVKDONJSA-N 0 0 285.334 3.060 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC[C@@H]1CCCS1 ZINC001462480113 937644412 /nfs/dbraw/zinc/64/44/12/937644412.db2.gz OAEWUUWROMCVGY-JTQLQIEISA-N 0 0 273.348 3.046 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC001462605453 937653659 /nfs/dbraw/zinc/65/36/59/937653659.db2.gz RRZHMMWAEQXBLI-RISCZKNCSA-N 0 0 251.757 3.325 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001462657950 937656998 /nfs/dbraw/zinc/65/69/98/937656998.db2.gz KBZLPOGWFXWVFN-GMOODISLSA-N 0 0 269.747 3.463 20 10 CGCDRN CC1(C)CO[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001308511708 933123015 /nfs/dbraw/zinc/12/30/15/933123015.db2.gz YQGGPDPREFUPLB-VIFPVBQESA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cnccn1 ZINC001308802120 933179708 /nfs/dbraw/zinc/17/97/08/933179708.db2.gz MVVNUFIEWWUOSV-QMMMGPOBSA-N 0 0 298.173 3.340 20 10 CGCDRN COc1cccc(NCc2cccc(Cl)c2O)n1 ZINC001308857742 933191409 /nfs/dbraw/zinc/19/14/09/933191409.db2.gz APJWXDWOBSMONR-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC001308966659 933216706 /nfs/dbraw/zinc/21/67/06/933216706.db2.gz XHPWLKYMYGKMNA-OAHLLOKOSA-N 0 0 275.298 3.448 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC001311477967 933301759 /nfs/dbraw/zinc/30/17/59/933301759.db2.gz JDRQYVWWZUAVKL-WFASDCNBSA-N 0 0 288.391 3.386 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC2CCC(C)(C)CC2)c1 ZINC001312083762 933335579 /nfs/dbraw/zinc/33/55/79/933335579.db2.gz OJQXPRZFJHIEQK-UHFFFAOYSA-N 0 0 290.407 3.469 20 10 CGCDRN CC1(CCC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC001465958211 937705614 /nfs/dbraw/zinc/70/56/14/937705614.db2.gz JGTHBIAROJOGSI-UHFFFAOYSA-N 0 0 287.403 3.468 20 10 CGCDRN Oc1ccccc1CNC(=S)Nc1cccc(F)c1F ZINC001320114907 934003856 /nfs/dbraw/zinc/00/38/56/934003856.db2.gz ICKOVKYBGAZHMV-UHFFFAOYSA-N 0 0 294.326 3.157 20 10 CGCDRN Cc1c(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cnn1C ZINC001320252217 934020684 /nfs/dbraw/zinc/02/06/84/934020684.db2.gz BLKOCSDCRCOVON-ZYHUDNBSSA-N 0 0 271.364 3.403 20 10 CGCDRN Cc1cc(CNC(=O)N2CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001471038233 937760946 /nfs/dbraw/zinc/76/09/46/937760946.db2.gz YGOXXVGMCYPZOW-ZDUSSCGKSA-N 0 0 297.402 3.398 20 10 CGCDRN O=C(NCc1cscc1Cl)NCc1ccccc1O ZINC001471359066 937764848 /nfs/dbraw/zinc/76/48/48/937764848.db2.gz NXGJVOOEOQTYNP-UHFFFAOYSA-N 0 0 296.779 3.107 20 10 CGCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC001472507404 937777256 /nfs/dbraw/zinc/77/72/56/937777256.db2.gz AEMSSIDOPZYOHI-WDEREUQCSA-N 0 0 295.354 3.182 20 10 CGCDRN CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324711560 934555220 /nfs/dbraw/zinc/55/52/20/934555220.db2.gz GMAPTSNJZVUUAZ-RDJZCZTQSA-N 0 0 288.435 3.286 20 10 CGCDRN CCN(Cc1cccc2c1OCCO2)c1ccc(OC)cc1 ZINC001473247215 937798949 /nfs/dbraw/zinc/79/89/49/937798949.db2.gz RARLMCIWFYGMDD-UHFFFAOYSA-N 0 0 299.370 3.493 20 10 CGCDRN O=C(CC1CCC1)Nc1c2nonc2ccc1Cl ZINC001325346659 934906988 /nfs/dbraw/zinc/90/69/88/934906988.db2.gz XEKUGNBNYWZFJQ-UHFFFAOYSA-N 0 0 265.700 3.005 20 10 CGCDRN CCOc1ccc(N(Cc2ccon2)CC2CC2)cc1 ZINC001473717812 937818742 /nfs/dbraw/zinc/81/87/42/937818742.db2.gz IZHOIAUWKREELA-UHFFFAOYSA-N 0 0 272.348 3.490 20 10 CGCDRN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC001328310696 935129845 /nfs/dbraw/zinc/12/98/45/935129845.db2.gz XQJWOVFAYQHCAM-SFYZADRCSA-N 0 0 293.310 3.257 20 10 CGCDRN C[C@@H](C(=O)Nc1c2nonc2ccc1Cl)C1CCC1 ZINC001328461388 935139759 /nfs/dbraw/zinc/13/97/59/935139759.db2.gz XDEZOYQQVUWFHU-SSDOTTSWSA-N 0 0 279.727 3.251 20 10 CGCDRN Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)nc(F)n1 ZINC001332265059 935454649 /nfs/dbraw/zinc/45/46/49/935454649.db2.gz AJXZCIVNCPIWNH-LLVKDONJSA-N 0 0 274.343 3.163 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H]2CCO[C@@H]21 ZINC001474016056 937835653 /nfs/dbraw/zinc/83/56/53/937835653.db2.gz LFWGCBSKVGAQEA-HONMWMINSA-N 0 0 299.773 3.088 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1cc(F)ccc1F ZINC001474033363 937836762 /nfs/dbraw/zinc/83/67/62/937836762.db2.gz IJJPQAOQBQXGJZ-UHFFFAOYSA-N 0 0 299.267 3.281 20 10 CGCDRN Cc1ccc(C(C)(C)[NH2+]Cc2cc(F)c(F)cc2[O-])cn1 ZINC001474432352 937859739 /nfs/dbraw/zinc/85/97/39/937859739.db2.gz XVDLSYJGTNVXHZ-UHFFFAOYSA-N 0 0 292.329 3.399 20 10 CGCDRN Oc1cc(Cl)ccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001474704407 937875928 /nfs/dbraw/zinc/87/59/28/937875928.db2.gz AXHHMIQEYLHYGU-UHFFFAOYSA-N 0 0 295.810 3.221 20 10 CGCDRN CCCCC1(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001477443508 937895524 /nfs/dbraw/zinc/89/55/24/937895524.db2.gz KGJOEYYHBZOVJS-UHFFFAOYSA-N 0 0 289.423 3.275 20 10 CGCDRN C[C@H](NC(=O)c1cc2c(o1)CCCC2)c1ccccc1O ZINC001521807482 938034483 /nfs/dbraw/zinc/03/44/83/938034483.db2.gz NUBMSPQPVHGKRR-NSHDSACASA-N 0 0 285.343 3.355 20 10 CGCDRN C/C(=C\C(=O)N(C)c1ccc2cc[nH]c2c1)c1cnccn1 ZINC001531736822 938082887 /nfs/dbraw/zinc/08/28/87/938082887.db2.gz WXJAALOKJNCSMD-FMIVXFBMSA-N 0 0 292.342 3.024 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Cl)cc1F ZINC001538603315 938119426 /nfs/dbraw/zinc/11/94/26/938119426.db2.gz ZDBZCVPPLSQRAY-UHFFFAOYSA-N 0 0 295.697 3.072 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCOCc2ccccc21 ZINC001539255583 938123765 /nfs/dbraw/zinc/12/37/65/938123765.db2.gz HULOCCRFUQTEST-KAMYIIQDSA-N 0 0 294.354 3.048 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NN2CCCCC2)cc1 ZINC001556082517 938201606 /nfs/dbraw/zinc/20/16/06/938201606.db2.gz SCZNOFIAPFGKQO-UHFFFAOYSA-N 0 0 297.402 3.225 20 10 CGCDRN Cc1ccc(C(=O)Nc2nccc3ccccc32)c(O)c1O ZINC001556599446 938204691 /nfs/dbraw/zinc/20/46/91/938204691.db2.gz WYAFLNSZGODPSP-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1cc2ccsc2[nH]1 ZINC001558454212 938215488 /nfs/dbraw/zinc/21/54/88/938215488.db2.gz BOTVVSVXVAVPIH-UHFFFAOYSA-N 0 0 290.319 3.004 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1cccc2ccncc21 ZINC001558455464 938215533 /nfs/dbraw/zinc/21/55/33/938215533.db2.gz UQFLGGIRGZSLHX-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN COC(=O)c1cnc(SCc2cccc(OC)c2)s1 ZINC001559416649 938226357 /nfs/dbraw/zinc/22/63/57/938226357.db2.gz RPAIMHGTHSIWBO-UHFFFAOYSA-N 0 0 295.385 3.231 20 10 CGCDRN CCOc1ccc(N(C[C@H](O)CC)CC2CC2)cc1 ZINC001560069921 938243002 /nfs/dbraw/zinc/24/30/02/938243002.db2.gz HYRVXFIVPJMINT-OAHLLOKOSA-N 0 0 263.381 3.073 20 10 CGCDRN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CC=CCC1 ZINC001560705710 938271316 /nfs/dbraw/zinc/27/13/16/938271316.db2.gz PPWZHYUZTIANGS-LLVKDONJSA-N 0 0 267.319 3.459 20 10 CGCDRN CSCCCCC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560773876 938275077 /nfs/dbraw/zinc/27/50/77/938275077.db2.gz PDJJOMAQWQWKDR-UHFFFAOYSA-N 0 0 275.364 3.293 20 10 CGCDRN COc1ccc(O)c(CN[C@@H](c2ccccc2)C(F)F)c1 ZINC001561058374 938292511 /nfs/dbraw/zinc/29/25/11/938292511.db2.gz OHAHODRTAUODRZ-HNNXBMFYSA-N 0 0 293.313 3.497 20 10 CGCDRN Cn1c2ccccc2nc1NCc1cccc(F)c1O ZINC001561057913 938292752 /nfs/dbraw/zinc/29/27/52/938292752.db2.gz ADELMTVTVXOIEP-UHFFFAOYSA-N 0 0 271.295 3.030 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)[O-])c2)c1 ZINC001594373094 958557626 /nfs/dbraw/zinc/55/76/26/958557626.db2.gz AYQVGNMMLMYGHV-LBPRGKRZSA-N 0 0 285.343 3.250 20 10 CGCDRN Cc1cccc2[nH]c(N(CCO)c3ccc(N)cc3)cc21 ZINC001248437239 960421431 /nfs/dbraw/zinc/42/14/31/960421431.db2.gz HADUHLOQFXDAGF-UHFFFAOYSA-N 0 0 281.359 3.189 20 10 CGCDRN CCCC[C@H](CCC)NC(=O)Cc1ccc(O)c(O)c1 ZINC001566214082 960909013 /nfs/dbraw/zinc/90/90/13/960909013.db2.gz STNQFQHCLILVFF-ZDUSSCGKSA-N 0 0 279.380 3.115 20 10 CGCDRN CC(C)C[C@@]1(C)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001569416394 961763264 /nfs/dbraw/zinc/76/32/64/961763264.db2.gz BFTASLOPQQQAGK-QGZVFWFLSA-N 0 0 291.391 3.068 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c(O)c1O ZINC001570269913 961946248 /nfs/dbraw/zinc/94/62/48/961946248.db2.gz DYJQSQWREAGZOT-QWHCGFSZSA-N 0 0 291.391 3.351 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC001574343141 962302039 /nfs/dbraw/zinc/30/20/39/962302039.db2.gz FKIHLSSOZNUCHQ-YMTOWFKASA-N 0 0 297.782 3.039 20 10 CGCDRN Nc1ccc(CCNC(=O)c2cccc3c2CCCC3)cc1 ZINC001580443677 962726077 /nfs/dbraw/zinc/72/60/77/962726077.db2.gz YEVVRQJHOJHQEL-UHFFFAOYSA-N 0 0 294.398 3.120 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(F)c(C)c2)c1 ZINC001584983654 962970346 /nfs/dbraw/zinc/97/03/46/962970346.db2.gz OPBSOHZEYKHGCB-UHFFFAOYSA-N 0 0 273.307 3.078 20 10 CGCDRN Cc1ccc(C(=O)NC2CCCCCCC2)c(O)c1O ZINC001586961068 963159499 /nfs/dbraw/zinc/15/94/99/963159499.db2.gz DPAQBTJJAWKWEA-UHFFFAOYSA-N 0 0 277.364 3.249 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C(=O)[O-] ZINC001603462024 973312149 /nfs/dbraw/zinc/31/21/49/973312149.db2.gz XCLOWIKCIKMXDR-WFASDCNBSA-N 0 0 299.370 3.088 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)c1 ZINC001591974164 976584702 /nfs/dbraw/zinc/58/47/02/976584702.db2.gz PWIHOVLYRPLNFE-GFCCVEGCSA-N 0 0 291.391 3.343 20 10 CGCDRN C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593265892 994576728 /nfs/dbraw/zinc/57/67/28/994576728.db2.gz ZTKIOGSAPYEIAI-SECBINFHSA-N 0 0 299.317 3.176 20 10 CGCDRN COc1ccc(C[NH2+]C2(C(=O)[O-])CCCCCC2)cc1C ZINC001599572918 998394234 /nfs/dbraw/zinc/39/42/34/998394234.db2.gz WTSNYIXPCVUPKV-UHFFFAOYSA-N 0 0 291.391 3.271 20 10 CGCDRN CN(Cc1ccccc1O)c1ncc(Cl)cc1F ZINC000301840356 530003522 /nfs/dbraw/zinc/00/35/22/530003522.db2.gz AOZJHIYWILERCQ-UHFFFAOYSA-N 0 0 266.703 3.216 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)c(O)c1O ZINC000179445270 346253435 /nfs/dbraw/zinc/25/34/35/346253435.db2.gz ZWGBHIRKEWQLPY-AWEZNQCLSA-N 0 0 289.375 3.201 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000273609603 296127023 /nfs/dbraw/zinc/12/70/23/296127023.db2.gz VINAZSRFBBNTPU-DTWKUNHWSA-N 0 0 292.206 3.368 20 10 CGCDRN Cn1ccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000037560268 369088457 /nfs/dbraw/zinc/08/84/57/369088457.db2.gz DDBLWRLZJYMYSY-UHFFFAOYSA-N 0 0 270.380 3.023 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccccc1F ZINC000493418052 244159955 /nfs/dbraw/zinc/15/99/55/244159955.db2.gz KFUIZYZRCNLCKF-FPLPWBNLSA-N 0 0 276.336 3.267 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1cncs1 ZINC000493727703 244219489 /nfs/dbraw/zinc/21/94/89/244219489.db2.gz ZWBFIYYVLFGYAW-HJWRWDBZSA-N 0 0 288.372 3.218 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CC=CCC3)ccc21 ZINC000058769043 369575061 /nfs/dbraw/zinc/57/50/61/369575061.db2.gz BWGITSNEXXCDJF-OAHLLOKOSA-N 0 0 284.403 3.042 20 10 CGCDRN CCCC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000075423920 369907569 /nfs/dbraw/zinc/90/75/69/369907569.db2.gz FYECOTWXWXBPAP-INIZCTEOSA-N 0 0 292.423 3.266 20 10 CGCDRN CCCC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000075423921 369907933 /nfs/dbraw/zinc/90/79/33/369907933.db2.gz FYECOTWXWXBPAP-MRXNPFEDSA-N 0 0 292.423 3.266 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccccc1C ZINC000073982059 369869228 /nfs/dbraw/zinc/86/92/28/369869228.db2.gz HTFUGAYFKDRQMC-ZHACJKMWSA-N 0 0 266.344 3.456 20 10 CGCDRN C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)c(F)c1[O-] ZINC000187923438 296159420 /nfs/dbraw/zinc/15/94/20/296159420.db2.gz CVDXBAFYZRLIPA-BXKDBHETSA-N 0 0 297.301 3.038 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000135214907 371401485 /nfs/dbraw/zinc/40/14/85/371401485.db2.gz YQOSVKRNOASFDS-DTWKUNHWSA-N 0 0 290.190 3.214 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccnc1)c1ccc(N(C)C)cc1 ZINC000151089960 371565292 /nfs/dbraw/zinc/56/52/92/371565292.db2.gz VYKBWHPRGKYIKC-QGZVFWFLSA-N 0 0 269.392 3.389 20 10 CGCDRN COc1ccc(CNCc2noc3c2CCCC3)cc1C ZINC000288440204 371737140 /nfs/dbraw/zinc/73/71/40/371737140.db2.gz LTJLMXOXXQKJRH-UHFFFAOYSA-N 0 0 286.375 3.160 20 10 CGCDRN CCc1noc(C)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000293621539 372427648 /nfs/dbraw/zinc/42/76/48/372427648.db2.gz KRLKSEAVNFQEMM-UHFFFAOYSA-N 0 0 280.755 3.194 20 10 CGCDRN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ncccc2N(C)C)c(O)c1 ZINC000294080456 372576174 /nfs/dbraw/zinc/57/61/74/372576174.db2.gz IKQURLHILQVNPX-CQSZACIVSA-N 0 0 299.418 3.321 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(CF)CC1 ZINC000294955344 372682050 /nfs/dbraw/zinc/68/20/50/372682050.db2.gz DKVOCUQRGQYFLR-UHFFFAOYSA-N 0 0 257.736 3.227 20 10 CGCDRN CC/C(C)=C/C(=O)NCc1cccc(Br)c1O ZINC000295214721 372704325 /nfs/dbraw/zinc/70/43/25/372704325.db2.gz XBRDXORLPIPCKY-VQHVLOKHSA-N 0 0 298.180 3.127 20 10 CGCDRN CCC1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000295326494 372739622 /nfs/dbraw/zinc/73/96/22/372739622.db2.gz AGTGMIWUZNQRIX-UHFFFAOYSA-N 0 0 283.375 3.162 20 10 CGCDRN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295415651 372771590 /nfs/dbraw/zinc/77/15/90/372771590.db2.gz RWOCHSZNWGMPOJ-SNVBAGLBSA-N 0 0 287.762 3.043 20 10 CGCDRN CCN(CC1CCC(=O)CC1)c1ccc(OC)cc1 ZINC000295680146 372873345 /nfs/dbraw/zinc/87/33/45/372873345.db2.gz LYJAVYDYUNSWGW-UHFFFAOYSA-N 0 0 261.365 3.281 20 10 CGCDRN COc1ccc(N(Cc2cnn(C)c2)[C@H](C)C2CC2)cc1 ZINC000171937892 372860388 /nfs/dbraw/zinc/86/03/88/372860388.db2.gz JVWJYAABBKRWFM-CYBMUJFWSA-N 0 0 285.391 3.234 20 10 CGCDRN CC/C=C/CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296495388 373154804 /nfs/dbraw/zinc/15/48/04/373154804.db2.gz YHLALFWXWDVAAO-ONEGZZNKSA-N 0 0 287.407 3.052 20 10 CGCDRN COc1ccccc1[C@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297268111 373264079 /nfs/dbraw/zinc/26/40/79/373264079.db2.gz SFQXNBNMGWCBOJ-CYBMUJFWSA-N 0 0 298.386 3.087 20 10 CGCDRN CC(C)c1noc(NCCCSc2nccs2)n1 ZINC000301773546 373802738 /nfs/dbraw/zinc/80/27/38/373802738.db2.gz KHBDVZDLBMBGSJ-UHFFFAOYSA-N 0 0 284.410 3.244 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2ncc(Cl)n2C)cc1C ZINC000180290922 373988724 /nfs/dbraw/zinc/98/87/24/373988724.db2.gz NMBYJLYKYQHYGD-UHFFFAOYSA-N 0 0 293.798 3.028 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)C[C@@H]1C ZINC000472286990 375016488 /nfs/dbraw/zinc/01/64/88/375016488.db2.gz YGNZXEDPQQAWJJ-OLZOCXBDSA-N 0 0 299.418 3.427 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000187729805 375083806 /nfs/dbraw/zinc/08/38/06/375083806.db2.gz AJTMWOVNQUFZNF-PELKAZGASA-N 0 0 299.342 3.116 20 10 CGCDRN C[C@@H](Nc1ccc(OC2COC2)cc1)c1ccccc1O ZINC000188650979 375247934 /nfs/dbraw/zinc/24/79/34/375247934.db2.gz GZLQUPCUTCONFJ-GFCCVEGCSA-N 0 0 285.343 3.343 20 10 CGCDRN C[C@@H](c1ccco1)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188263997 375186486 /nfs/dbraw/zinc/18/64/86/375186486.db2.gz RVUCEVUYFLIXCP-JTQLQIEISA-N 0 0 287.315 3.057 20 10 CGCDRN CCOCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192687491 375778794 /nfs/dbraw/zinc/77/87/94/375778794.db2.gz LPHKDNAMNZRDOI-MRVPVSSYSA-N 0 0 278.179 3.386 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)[C@@H]1C1CC1 ZINC000528858669 375912115 /nfs/dbraw/zinc/91/21/15/375912115.db2.gz AIVRLBGPLMZNGL-FJNPEDAXSA-N 0 0 299.414 3.179 20 10 CGCDRN CC(C)c1nocc1C(=O)NCc1cc(Cl)ccc1O ZINC000529513516 375926832 /nfs/dbraw/zinc/92/68/32/375926832.db2.gz RYGXYJCUGSTKOK-UHFFFAOYSA-N 0 0 294.738 3.087 20 10 CGCDRN CN(CCCCc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000237063749 376730161 /nfs/dbraw/zinc/73/01/61/376730161.db2.gz SSBGTHIRVSZEJO-UHFFFAOYSA-N 0 0 296.414 3.293 20 10 CGCDRN CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000267510962 378040777 /nfs/dbraw/zinc/04/07/77/378040777.db2.gz IOAPTXLXLKULMT-UHFFFAOYSA-N 0 0 273.376 3.077 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000269205430 378196742 /nfs/dbraw/zinc/19/67/42/378196742.db2.gz KWBNZSJOXHIFQY-QGZVFWFLSA-N 0 0 298.361 3.314 20 10 CGCDRN CCC1(C)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000272718642 378693552 /nfs/dbraw/zinc/69/35/52/378693552.db2.gz DUUHVZGSNZPYCW-UHFFFAOYSA-N 0 0 277.364 3.059 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273346990 378741970 /nfs/dbraw/zinc/74/19/70/378741970.db2.gz AVVRYKKAUOWLJJ-WDEREUQCSA-N 0 0 262.309 3.060 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)c(O)c1C ZINC000273390272 378743647 /nfs/dbraw/zinc/74/36/47/378743647.db2.gz KKTOMMKUAFIGRY-ZIAGYGMSSA-N 0 0 263.381 3.229 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2ccncc2C)cc1 ZINC000274418611 378829949 /nfs/dbraw/zinc/82/99/49/378829949.db2.gz JXTARUKZTWEHFF-UHFFFAOYSA-N 0 0 297.402 3.166 20 10 CGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377627347 379710061 /nfs/dbraw/zinc/71/00/61/379710061.db2.gz PFADKQKDCLLDHZ-PBWFPOADSA-N 0 0 294.826 3.103 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]1C ZINC000283628378 380078502 /nfs/dbraw/zinc/07/85/02/380078502.db2.gz BGNGXTFGDANXOQ-DZGCQCFKSA-N 0 0 290.407 3.360 20 10 CGCDRN CCc1nn(C)cc1N[C@H](C)c1c(C)cc(C)cc1O ZINC000285272974 380144314 /nfs/dbraw/zinc/14/43/14/380144314.db2.gz QXWPSZVGVFNJEJ-GFCCVEGCSA-N 0 0 273.380 3.478 20 10 CGCDRN CC[C@H]([NH2+]CCCOC(C)C)c1ccc(F)cc1[O-] ZINC000285476433 380148427 /nfs/dbraw/zinc/14/84/27/380148427.db2.gz BEPBNGWZULIEFC-AWEZNQCLSA-N 0 0 269.360 3.387 20 10 CGCDRN CC[C@@H]([NH2+]CCc1ccccn1)c1ccc(F)cc1[O-] ZINC000285877076 380152931 /nfs/dbraw/zinc/15/29/31/380152931.db2.gz ZGJBMNOFUYUILE-OAHLLOKOSA-N 0 0 274.339 3.210 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(F)cc1[O-] ZINC000286028753 380158731 /nfs/dbraw/zinc/15/87/31/380158731.db2.gz JAMYRQGJWGHUIN-JSGCOSHPSA-N 0 0 267.344 3.141 20 10 CGCDRN CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187803211 295634476 /nfs/dbraw/zinc/63/44/76/295634476.db2.gz XSOHBHTTZFKSMM-YUMQZZPRSA-N 0 0 261.337 3.073 20 10 CGCDRN Cc1cccc(CNc2ccc3c(c2)CCO3)c1O ZINC000124827390 392437227 /nfs/dbraw/zinc/43/72/27/392437227.db2.gz JUXBNFRSQYCLBV-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN CC(C)[C@@H](C)SCC(=O)NCc1ccc(N(C)C)cc1 ZINC000172967920 392623439 /nfs/dbraw/zinc/62/34/39/392623439.db2.gz SWRFZXNOGKKWLN-CYBMUJFWSA-N 0 0 294.464 3.147 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)c(O)c1O ZINC000179435614 392701660 /nfs/dbraw/zinc/70/16/60/392701660.db2.gz HIGBHKIOFDOGFR-JTQLQIEISA-N 0 0 291.372 3.301 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C1CC1 ZINC000348726743 393128621 /nfs/dbraw/zinc/12/86/21/393128621.db2.gz CBJHVFDXQWZART-GFCCVEGCSA-N 0 0 285.391 3.084 20 10 CGCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)Cc1cccs1 ZINC000743657005 572677210 /nfs/dbraw/zinc/67/72/10/572677210.db2.gz XWCRHJOAQAHGPK-VIFPVBQESA-N 0 0 281.402 3.124 20 10 CGCDRN Cc1ccnc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000302014721 397676026 /nfs/dbraw/zinc/67/60/26/397676026.db2.gz LHRVAIQKCPXQBB-UHFFFAOYSA-N 0 0 295.342 3.290 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(C)cc2F)c1 ZINC000020371128 171167732 /nfs/dbraw/zinc/16/77/32/171167732.db2.gz PZNQLNISDLWNAL-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000038044115 174051735 /nfs/dbraw/zinc/05/17/35/174051735.db2.gz LGXIKLCQXFIDGI-SECBINFHSA-N 0 0 290.190 3.215 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCC2 ZINC000042117703 174638389 /nfs/dbraw/zinc/63/83/89/174638389.db2.gz DROLOKPCDJXYNR-UHFFFAOYSA-N 0 0 281.355 3.153 20 10 CGCDRN COc1ccc(NCc2cc(C)ccc2O)cc1F ZINC000071407041 176156388 /nfs/dbraw/zinc/15/63/88/176156388.db2.gz XSOGPEYMJVJCSF-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1ccc(C2CC2)nn1 ZINC000352545680 227051928 /nfs/dbraw/zinc/05/19/28/227051928.db2.gz KYMDTYGDPAMQEE-UHFFFAOYSA-N 0 0 292.386 3.188 20 10 CGCDRN CCOc1ccc(O)c(CN(CC(F)F)C2CC2)c1 ZINC000093276838 260514690 /nfs/dbraw/zinc/51/46/90/260514690.db2.gz KQYWUYONWSQNBG-UHFFFAOYSA-N 0 0 271.307 3.020 20 10 CGCDRN Cc1cc(C(=O)N[C@]2(C)CCOC2)c(C)n1-c1ccccc1 ZINC000156829388 261133038 /nfs/dbraw/zinc/13/30/38/261133038.db2.gz UKOIOGSHQCYUIE-GOSISDBHSA-N 0 0 298.386 3.003 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c(O)c1O ZINC000180528754 261864439 /nfs/dbraw/zinc/86/44/39/261864439.db2.gz WYJRNCDRQZXPKF-SCRDCRAPSA-N 0 0 289.375 3.057 20 10 CGCDRN CC(C)[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000184839584 262030833 /nfs/dbraw/zinc/03/08/33/262030833.db2.gz OAPJIFDKRJBVFV-HZPDHXFCSA-N 0 0 274.408 3.003 20 10 CGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000185528886 262058484 /nfs/dbraw/zinc/05/84/84/262058484.db2.gz IMLNITYOIRYPQF-BONVTDFDSA-N 0 0 295.379 3.151 20 10 CGCDRN CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185678475 262066158 /nfs/dbraw/zinc/06/61/58/262066158.db2.gz ZPVPZTWXAKJAJU-JTQLQIEISA-N 0 0 292.354 3.495 20 10 CGCDRN CC(C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)=C1CCCC1 ZINC000186430987 262092472 /nfs/dbraw/zinc/09/24/72/262092472.db2.gz MZOILDMXHOKHLJ-LLVKDONJSA-N 0 0 289.375 3.036 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272580175 263006959 /nfs/dbraw/zinc/00/69/59/263006959.db2.gz DYHLTFXZMUXDRY-BIVWETNQSA-N 0 0 277.364 3.052 20 10 CGCDRN CCc1noc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000292770960 263134869 /nfs/dbraw/zinc/13/48/69/263134869.db2.gz OYGXHXKLAQZWHI-UHFFFAOYSA-N 0 0 286.379 3.234 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000293868011 263151232 /nfs/dbraw/zinc/15/12/32/263151232.db2.gz IRHCFPRXORUFKV-SECBINFHSA-N 0 0 289.803 3.418 20 10 CGCDRN CC(C)(C)C1=CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295570139 263179893 /nfs/dbraw/zinc/17/98/93/263179893.db2.gz RDZSFSNVGKRBJV-UHFFFAOYSA-N 0 0 293.338 3.055 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000290018426 264388510 /nfs/dbraw/zinc/38/85/10/264388510.db2.gz CAHUYARXLFAKLB-GFCCVEGCSA-N 0 0 251.370 3.106 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000295992896 288092056 /nfs/dbraw/zinc/09/20/56/288092056.db2.gz PSKDCFTVRFAKMQ-SBMIAAHKSA-N 0 0 290.190 3.263 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)C2CC2)cc1 ZINC000287178464 289407339 /nfs/dbraw/zinc/40/73/39/289407339.db2.gz PIZHMOFHYFJORP-UHFFFAOYSA-N 0 0 274.408 3.147 20 10 CGCDRN CN(C(=O)/C=C\c1cccnc1)c1c(F)cccc1F ZINC000255109342 326943634 /nfs/dbraw/zinc/94/36/34/326943634.db2.gz VLBDYMYBBLOTBD-FPLPWBNLSA-N 0 0 274.270 3.036 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCCOCC(F)F)cc12 ZINC000421194255 329807168 /nfs/dbraw/zinc/80/71/68/329807168.db2.gz GTRCHJJGELVQPN-UHFFFAOYSA-N 0 0 283.318 3.456 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccccc1OC ZINC000490792555 332115801 /nfs/dbraw/zinc/11/58/01/332115801.db2.gz WPLPWPXYIBSVPZ-ZHACJKMWSA-N 0 0 282.343 3.157 20 10 CGCDRN Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000237629288 333380527 /nfs/dbraw/zinc/38/05/27/333380527.db2.gz CTPBRIOGYQDATR-SFHVURJKSA-N 0 0 294.398 3.483 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCC12CC2 ZINC000528861232 333462294 /nfs/dbraw/zinc/46/22/94/333462294.db2.gz JPTJNCQHEDEVLL-MRXNPFEDSA-N 0 0 299.414 3.468 20 10 CGCDRN CCC(C)(C)OC1CN(Cc2cc(C)ccc2O)C1 ZINC000529639791 333502916 /nfs/dbraw/zinc/50/29/16/333502916.db2.gz FCBVZRLOLSPAPG-UHFFFAOYSA-N 0 0 263.381 3.090 20 10 CGCDRN CC(C)c1nn(C)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000280185065 519883520 /nfs/dbraw/zinc/88/35/20/519883520.db2.gz CNYBJSWXNOPZJV-UHFFFAOYSA-N 0 0 290.386 3.361 20 10 CGCDRN CCO[C@@H](C[NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000278607507 520312737 /nfs/dbraw/zinc/31/27/37/520312737.db2.gz 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/nfs/dbraw/zinc/58/35/36/619583536.db2.gz KTRUIVLYUFTVMT-XVKPBYJWSA-N 0 0 295.251 3.443 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000894654543 619595647 /nfs/dbraw/zinc/59/56/47/619595647.db2.gz WZUKVNPGBFOWSS-LLVKDONJSA-N 0 0 290.313 3.055 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)NCc1ccccc1F ZINC000048875918 619649381 /nfs/dbraw/zinc/64/93/81/619649381.db2.gz BIFOQUMULCKWPN-VIFPVBQESA-N 0 0 296.392 3.079 20 10 CGCDRN Cc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)o1 ZINC000007209200 619732756 /nfs/dbraw/zinc/73/27/56/619732756.db2.gz ITOIODDJSBCDIC-LCYFTJDESA-N 0 0 290.388 3.481 20 10 CGCDRN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H](C)C1(F)F ZINC000895387752 619818711 /nfs/dbraw/zinc/81/87/11/619818711.db2.gz FDXRCWJTWJQPIY-DTORHVGOSA-N 0 0 291.288 3.394 20 10 CGCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1C2CCC1CC2 ZINC000895569021 619853918 /nfs/dbraw/zinc/85/39/18/619853918.db2.gz QRQNRYBTOAKNAW-UHFFFAOYSA-N 0 0 289.356 3.080 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC1(c2ncccn2)CCC1 ZINC000895622532 619860524 /nfs/dbraw/zinc/86/05/24/619860524.db2.gz JHBHRHWVEDVVGD-UHFFFAOYSA-N 0 0 296.418 3.020 20 10 CGCDRN COc1cc(O)c(CNc2cnc(C)c(C)c2)cc1OC ZINC000895645994 619863948 /nfs/dbraw/zinc/86/39/48/619863948.db2.gz UDZJIIFGDQAMSE-UHFFFAOYSA-N 0 0 288.347 3.033 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCCC12CC2 ZINC000896077545 619944473 /nfs/dbraw/zinc/94/44/73/619944473.db2.gz LODOONYVRITRSH-LBPRGKRZSA-N 0 0 294.782 3.178 20 10 CGCDRN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896644034 620039630 /nfs/dbraw/zinc/03/96/30/620039630.db2.gz VYXWKINQSSTYKN-IAQYHMDHSA-N 0 0 281.371 3.215 20 10 CGCDRN CCCSC[C@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896639116 620041762 /nfs/dbraw/zinc/04/17/62/620041762.db2.gz LDGWNVCWSMLPAN-JTQLQIEISA-N 0 0 257.374 3.153 20 10 CGCDRN COCC1(c2noc(-c3ccc(-n4cccc4)cc3)n2)CC1 ZINC000897038205 620124720 /nfs/dbraw/zinc/12/47/20/620124720.db2.gz JTOOSEHKPTVVEH-UHFFFAOYSA-N 0 0 295.342 3.205 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1COCC[C@H]1c1ccccc1 ZINC000888194065 620333340 /nfs/dbraw/zinc/33/33/40/620333340.db2.gz CXRZAZPXWSCGED-ZDUSSCGKSA-N 0 0 289.356 3.015 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1C ZINC000237435351 620376096 /nfs/dbraw/zinc/37/60/96/620376096.db2.gz GXGGGCPVXDOWHI-UHFFFAOYSA-N 0 0 299.370 3.065 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCC3(CC3)C2)c1 ZINC000897761641 620424401 /nfs/dbraw/zinc/42/44/01/620424401.db2.gz JLRLCFDUXMTCJM-CQSZACIVSA-N 0 0 288.391 3.223 20 10 CGCDRN Cc1ccc(CNc2ccc([C@@H](C)CC(N)=O)cc2)c(O)c1 ZINC000897839502 620437743 /nfs/dbraw/zinc/43/77/43/620437743.db2.gz ZRZUHHFTXFPACK-ZDUSSCGKSA-N 0 0 298.386 3.292 20 10 CGCDRN COC(=O)C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000897889091 620445195 /nfs/dbraw/zinc/44/51/95/620445195.db2.gz NHQWVPJOFXCUAW-LBPRGKRZSA-N 0 0 299.798 3.113 20 10 CGCDRN CCN(CC)c1ccc(CNc2ncc(C)cn2)cc1 ZINC000179360432 620559653 /nfs/dbraw/zinc/55/96/53/620559653.db2.gz WDURDHKQTPKQNH-UHFFFAOYSA-N 0 0 270.380 3.243 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1F ZINC000042116600 620611614 /nfs/dbraw/zinc/61/16/14/620611614.db2.gz FIGLYOGSLBVOGI-UHFFFAOYSA-N 0 0 293.725 3.457 20 10 CGCDRN CC(C)Cc1ccc(/C=C2/SC(=S)N(C)C2=O)cn1 ZINC000899260594 620633793 /nfs/dbraw/zinc/63/37/93/620633793.db2.gz LLPACDSRQVPXSN-KPKJPENVSA-N 0 0 292.429 3.111 20 10 CGCDRN Oc1cccc2c1[C@H](N[C@H]1c3ccccc3OC[C@@H]1F)CC2 ZINC000903266696 621654147 /nfs/dbraw/zinc/65/41/47/621654147.db2.gz UWWRDTLEKOAXDN-IYOUNJFTSA-N 0 0 299.345 3.441 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186067786 625511681 /nfs/dbraw/zinc/51/16/81/625511681.db2.gz ULOQOAOSXIEKEJ-SWPVVBRQSA-N 0 0 290.190 3.263 20 10 CGCDRN C[C@H](N[C@H](c1ncccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903334337 621690806 /nfs/dbraw/zinc/69/08/06/621690806.db2.gz XSHOJDUHKRPUTQ-GUYCJALGSA-N 0 0 296.418 3.345 20 10 CGCDRN C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903393148 621718756 /nfs/dbraw/zinc/71/87/56/621718756.db2.gz HTDWLGGGCKKLSI-PTRXPTGYSA-N 0 0 289.297 3.097 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)OC1CCCC1 ZINC000908329144 622344929 /nfs/dbraw/zinc/34/49/29/622344929.db2.gz QBRKQZDFYMDVPQ-UHFFFAOYSA-N 0 0 269.728 3.214 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1nc(C(C)C)no1 ZINC000027960431 622439367 /nfs/dbraw/zinc/43/93/67/622439367.db2.gz QJCWDROILYDDHW-UHFFFAOYSA-N 0 0 287.363 3.154 20 10 CGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC=CC3)c2C)cc1 ZINC000910004044 622447944 /nfs/dbraw/zinc/44/79/44/622447944.db2.gz BPBXXGRHUNQTRT-UHFFFAOYSA-N 0 0 296.370 3.115 20 10 CGCDRN C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc(O)cc1O ZINC000910949375 622509470 /nfs/dbraw/zinc/50/94/70/622509470.db2.gz KTNIKQFJRNIDFV-NSHDSACASA-N 0 0 279.380 3.176 20 10 CGCDRN CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CC=CC1 ZINC000912045429 622593074 /nfs/dbraw/zinc/59/30/74/622593074.db2.gz AQRRIQIFBAHDNF-UHFFFAOYSA-N 0 0 289.356 3.151 20 10 CGCDRN O=C(/C=C/c1ccco1)NCc1c(O)ccc2c1CCCC2 ZINC000156311955 622792908 /nfs/dbraw/zinc/79/29/08/622792908.db2.gz AOKMLCNXJHNLNP-CSKARUKUSA-N 0 0 297.354 3.194 20 10 CGCDRN CS[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000224881501 622889909 /nfs/dbraw/zinc/88/99/09/622889909.db2.gz FKCZUVKCEJVJPL-MNOVXSKESA-N 0 0 271.813 3.419 20 10 CGCDRN COC(=O)Nc1cccc(NCc2cccc(C)c2O)c1 ZINC000158047794 622995794 /nfs/dbraw/zinc/99/57/94/622995794.db2.gz AKEGPONSLZYXQC-UHFFFAOYSA-N 0 0 286.331 3.491 20 10 CGCDRN COc1ccc(CC[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158077606 623004535 /nfs/dbraw/zinc/00/45/35/623004535.db2.gz KOYGAKOQFKIDPA-UHFFFAOYSA-N 0 0 291.778 3.387 20 10 CGCDRN CC(C)[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])N1CCCC1 ZINC000158100609 623005615 /nfs/dbraw/zinc/00/56/15/623005615.db2.gz FOPZNYIKRSRCGR-HNNXBMFYSA-N 0 0 296.842 3.256 20 10 CGCDRN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229407868 623129695 /nfs/dbraw/zinc/12/96/95/623129695.db2.gz ITVXEIYGMFQZQH-STQMWFEESA-N 0 0 273.380 3.461 20 10 CGCDRN CCCCOCCN(CC)c1ccc(OC)cc1 ZINC000755911753 625650866 /nfs/dbraw/zinc/65/08/66/625650866.db2.gz YHBIFXHNTKJOME-UHFFFAOYSA-N 0 0 251.370 3.338 20 10 CGCDRN Cc1ccc(NC(=O)CSc2nccs2)cc1 ZINC000915656535 624016673 /nfs/dbraw/zinc/01/66/73/624016673.db2.gz CGZBRJNTKKQWSZ-UHFFFAOYSA-N 0 0 264.375 3.182 20 10 CGCDRN Cc1cc(CCNC(=O)N2CCC2)c(C)n1-c1ccccc1 ZINC000916221208 624123520 /nfs/dbraw/zinc/12/35/20/624123520.db2.gz UKTHAYQNISBIFK-UHFFFAOYSA-N 0 0 297.402 3.052 20 10 CGCDRN CC(C)c1nsc(CSc2nccs2)n1 ZINC000916760513 624212101 /nfs/dbraw/zinc/21/21/01/624212101.db2.gz YWRXCHMNHZWMCR-UHFFFAOYSA-N 0 0 257.409 3.410 20 10 CGCDRN CCc1ccc2[nH]c(-c3cc(O)c(O)c(OC)c3)nc2c1 ZINC000155064101 624418926 /nfs/dbraw/zinc/41/89/26/624418926.db2.gz MFBCUUOPYPWJIR-UHFFFAOYSA-N 0 0 284.315 3.212 20 10 CGCDRN CN(C)c1ccc(CN2CCc3ccccc32)cc1 ZINC000920257121 624464008 /nfs/dbraw/zinc/46/40/08/624464008.db2.gz GKBOFPLOOHZEQM-UHFFFAOYSA-N 0 0 252.361 3.315 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1nccn1C(F)F ZINC000920403003 624490935 /nfs/dbraw/zinc/49/09/35/624490935.db2.gz JQRMRMOYDLOCLS-UHFFFAOYSA-N 0 0 293.317 3.240 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000179855283 624688517 /nfs/dbraw/zinc/68/85/17/624688517.db2.gz FKOPCTOYMILHOC-JQWIXIFHSA-N 0 0 269.772 3.045 20 10 CGCDRN Nc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000237860904 624694736 /nfs/dbraw/zinc/69/47/36/624694736.db2.gz DPGAAZAANPWMGE-RUDMXATFSA-N 0 0 256.280 3.060 20 10 CGCDRN CN(Cc1c[nH]nc1C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000180760926 624770151 /nfs/dbraw/zinc/77/01/51/624770151.db2.gz ASUPXAJCEDTXLU-UHFFFAOYSA-N 0 0 287.363 3.072 20 10 CGCDRN COc1ccc(N(C[C@H](C)OC)C(C)C)cc1F ZINC000182327616 624985395 /nfs/dbraw/zinc/98/53/95/624985395.db2.gz QUNVLBMRFKHNHX-NSHDSACASA-N 0 0 255.333 3.084 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@H]2C)c1[O-] ZINC000070410624 625005169 /nfs/dbraw/zinc/00/51/69/625005169.db2.gz TVVRRCXNDFSLIZ-LLVKDONJSA-N 0 0 279.355 3.498 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2CCC(C)C)c(O)c1O ZINC000182829961 625032285 /nfs/dbraw/zinc/03/22/85/625032285.db2.gz ZRVWJRXUBISHOQ-CYBMUJFWSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H]2CCC(C)C)c(O)c1O ZINC000182829980 625033130 /nfs/dbraw/zinc/03/31/30/625033130.db2.gz ZRVWJRXUBISHOQ-ZDUSSCGKSA-N 0 0 291.391 3.447 20 10 CGCDRN C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000070829253 625039067 /nfs/dbraw/zinc/03/90/67/625039067.db2.gz ABPBLNJRRGKBQG-JOYOIKCWSA-N 0 0 284.197 3.433 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccccc1O ZINC000183387634 625068952 /nfs/dbraw/zinc/06/89/52/625068952.db2.gz PQEAGYWNQZLAGZ-GFCCVEGCSA-N 0 0 285.343 3.014 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ccccc1[N+](=O)[O-] ZINC000183598205 625096069 /nfs/dbraw/zinc/09/60/69/625096069.db2.gz JLHBYUZFOTYMNB-SNVBAGLBSA-N 0 0 288.303 3.049 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2)c1 ZINC000756355860 625899002 /nfs/dbraw/zinc/89/90/02/625899002.db2.gz XGAQCHIDAPQLHJ-GFCCVEGCSA-N 0 0 285.343 3.030 20 10 CGCDRN c1cc2c(cc1CNCc1noc3c1CCCC3)CCCO2 ZINC000922131271 625971255 /nfs/dbraw/zinc/97/12/55/625971255.db2.gz MANZFTMBMPMMAV-UHFFFAOYSA-N 0 0 298.386 3.168 20 10 CGCDRN COc1cccc(O)c1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922846462 626057729 /nfs/dbraw/zinc/05/77/29/626057729.db2.gz VVCJPWIRXVNTDF-LBPRGKRZSA-N 0 0 293.432 3.309 20 10 CGCDRN C[C@H]1Cc2cc(NCc3cc4c(cc3O)OCO4)ccc2O1 ZINC000922908723 626101070 /nfs/dbraw/zinc/10/10/70/626101070.db2.gz MMAPBOCUTVESQL-JTQLQIEISA-N 0 0 299.326 3.056 20 10 CGCDRN Cc1cccc([C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)c1 ZINC000753512335 626172299 /nfs/dbraw/zinc/17/22/99/626172299.db2.gz NDYOBYKDTOYLLP-CYBMUJFWSA-N 0 0 287.384 3.392 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000839186061 626327621 /nfs/dbraw/zinc/32/76/21/626327621.db2.gz HXGBBQVESNQFDY-UHFFFAOYSA-N 0 0 276.336 3.113 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncccc2F)cc1F ZINC000752766487 626438363 /nfs/dbraw/zinc/43/83/63/626438363.db2.gz MFQAFJWJQXICLG-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CCC[C@@H](C)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000753592612 626457709 /nfs/dbraw/zinc/45/77/09/626457709.db2.gz ZDRMKZNLKIGBFD-CYBMUJFWSA-N 0 0 279.380 3.111 20 10 CGCDRN O=C(OCc1ccc(F)cc1F)C1=CC(=O)CS1 ZINC000754094587 626475386 /nfs/dbraw/zinc/47/53/86/626475386.db2.gz INXDCHZMQKCWFF-UHFFFAOYSA-N 0 0 270.256 3.089 20 10 CGCDRN C[C@@H]1CCCN(C(=O)/C=C\c2cnn(C)c2)c2ccccc21 ZINC000754610101 626579222 /nfs/dbraw/zinc/57/92/22/626579222.db2.gz XZILHUODGKIKLR-CFYYFVFUSA-N 0 0 295.386 3.364 20 10 CGCDRN C[C@H]1C[C@H](NCc2cscn2)c2c1c(F)ccc2O ZINC000756511702 626711195 /nfs/dbraw/zinc/71/11/95/626711195.db2.gz ZXWZIFUTDWPXJB-KWQFWETISA-N 0 0 278.352 3.326 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccccc1O)c1cc(F)cc(F)c1[O-] ZINC000756525369 626712134 /nfs/dbraw/zinc/71/21/34/626712134.db2.gz MHDWVSKYRQHUNB-SNVBAGLBSA-N 0 0 293.313 3.269 20 10 CGCDRN CSC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756585963 626717960 /nfs/dbraw/zinc/71/79/60/626717960.db2.gz PDCMIXUUWULPOY-YUMQZZPRSA-N 0 0 261.337 3.073 20 10 CGCDRN CSCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756585321 626718011 /nfs/dbraw/zinc/71/80/11/626718011.db2.gz KJZTURGZRIUWIO-SECBINFHSA-N 0 0 275.364 3.464 20 10 CGCDRN CC(C)n1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756595407 626719006 /nfs/dbraw/zinc/71/90/06/626719006.db2.gz SSRISWGLSKUFRP-SNVBAGLBSA-N 0 0 295.333 3.299 20 10 CGCDRN C[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756624839 626721264 /nfs/dbraw/zinc/72/12/64/626721264.db2.gz GVEVZLNBXVSHSU-NSHDSACASA-N 0 0 299.361 3.264 20 10 CGCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000756624085 626721286 /nfs/dbraw/zinc/72/12/86/626721286.db2.gz DHAZLZPKFOVNDP-HZMBPMFUSA-N 0 0 296.367 3.012 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000756683204 626726763 /nfs/dbraw/zinc/72/67/63/626726763.db2.gz KMROOTUNOWWAQH-MJVIPROJSA-N 0 0 277.364 3.018 20 10 CGCDRN C[C@H]([NH2+]CCCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756733673 626728632 /nfs/dbraw/zinc/72/86/32/626728632.db2.gz RWEILVZHMKIJCW-JTQLQIEISA-N 0 0 264.325 3.141 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000756766720 626730191 /nfs/dbraw/zinc/73/01/91/626730191.db2.gz BPFHAPFLYHYVQN-NWDGAFQWSA-N 0 0 279.380 3.264 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756782358 626732114 /nfs/dbraw/zinc/73/21/14/626732114.db2.gz AUDSXVPGHJNPAZ-ZJUUUORDSA-N 0 0 275.308 3.040 20 10 CGCDRN CCn1cc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756856556 626737743 /nfs/dbraw/zinc/73/77/43/626737743.db2.gz SAAQULJLQILEGD-JOYOIKCWSA-N 0 0 275.327 3.408 20 10 CGCDRN Cc1c(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cnn1C ZINC000756876279 626739093 /nfs/dbraw/zinc/73/90/93/626739093.db2.gz ZVVVXDHZRIWBED-LDYMZIIASA-N 0 0 275.327 3.234 20 10 CGCDRN CCC[C@@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000103528952 626778749 /nfs/dbraw/zinc/77/87/49/626778749.db2.gz TYUIJHQFQPYFDS-VXGBXAGGSA-N 0 0 279.380 3.404 20 10 CGCDRN O=C(c1c(F)ccc(O)c1O)N1CCCCCCCC1 ZINC000839786261 626788704 /nfs/dbraw/zinc/78/87/04/626788704.db2.gz RGGYARXEEVWPOS-UHFFFAOYSA-N 0 0 281.327 3.033 20 10 CGCDRN C[N@H+](CCc1ccncc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757889325 626812628 /nfs/dbraw/zinc/81/26/28/626812628.db2.gz YKBMKWOCFZDGGS-UHFFFAOYSA-N 0 0 294.757 3.254 20 10 CGCDRN Cc1cc(C)nc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000758166474 626831883 /nfs/dbraw/zinc/83/18/83/626831883.db2.gz YWSUATKQOPTFQZ-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CCCC1CC1 ZINC000124952533 634534067 /nfs/dbraw/zinc/53/40/67/634534067.db2.gz FJMMPDLCOQNELV-UHFFFAOYSA-N 0 0 284.197 3.435 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCOCC(F)F)cc1 ZINC000759934376 626931936 /nfs/dbraw/zinc/93/19/36/626931936.db2.gz RYLKFLIYHABCQM-UHFFFAOYSA-N 0 0 273.323 3.192 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(F)(F)F ZINC000759999561 626935659 /nfs/dbraw/zinc/93/56/59/626935659.db2.gz OZQSFOUABVAZQB-JTQLQIEISA-N 0 0 260.303 3.101 20 10 CGCDRN CC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000760804991 626992875 /nfs/dbraw/zinc/99/28/75/626992875.db2.gz HYAVUHWGHIPWRP-QGZVFWFLSA-N 0 0 285.387 3.473 20 10 CGCDRN COc1cc(Cl)cc(CN2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000761215609 627025487 /nfs/dbraw/zinc/02/54/87/627025487.db2.gz HAKJQUMONBNUJF-SKDRFNHKSA-N 0 0 287.762 3.234 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)o2)cc1OC ZINC000761223021 627026040 /nfs/dbraw/zinc/02/60/40/627026040.db2.gz WDJTXPCBNIMSKD-UHFFFAOYSA-N 0 0 261.321 3.242 20 10 CGCDRN COc1ccc(N(C)Cc2occc2C)cc1OC ZINC000761219664 627026395 /nfs/dbraw/zinc/02/63/95/627026395.db2.gz AKEDUHGOZDTBMQ-UHFFFAOYSA-N 0 0 261.321 3.242 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C=C2CCCCC2)c1 ZINC000762805561 627125382 /nfs/dbraw/zinc/12/53/82/627125382.db2.gz LSYALEXEACZQSB-LBPRGKRZSA-N 0 0 289.375 3.469 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ccc(F)cn2)cc1C ZINC000763167220 627142987 /nfs/dbraw/zinc/14/29/87/627142987.db2.gz RYZLTGPFUNHMQH-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1nc(C)c(C)s1 ZINC000763519157 627162396 /nfs/dbraw/zinc/16/23/96/627162396.db2.gz QYGLHNUFRAQGGI-UHFFFAOYSA-N 0 0 274.389 3.331 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763790502 627178116 /nfs/dbraw/zinc/17/81/16/627178116.db2.gz SNZKVLPKBLQCEV-HNNXBMFYSA-N 0 0 289.375 3.006 20 10 CGCDRN Cc1ccc(O)c(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC000765653576 627265042 /nfs/dbraw/zinc/26/50/42/627265042.db2.gz AFEZGZNYAWHCGC-UHFFFAOYSA-N 0 0 298.386 3.166 20 10 CGCDRN CCC1(CC)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000874629186 634575191 /nfs/dbraw/zinc/57/51/91/634575191.db2.gz YTRPOZFRVHWHAT-UHFFFAOYSA-N 0 0 277.364 3.201 20 10 CGCDRN C[C@H](Nc1cnn(C)c1C1CC1)c1cc(F)cc(F)c1O ZINC000769981611 627594094 /nfs/dbraw/zinc/59/40/94/627594094.db2.gz UABQSUXNXANVBI-QMMMGPOBSA-N 0 0 293.317 3.454 20 10 CGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1=CCC1 ZINC000770525177 627624501 /nfs/dbraw/zinc/62/45/01/627624501.db2.gz QBQFMKLCSGJGRI-UHFFFAOYSA-N 0 0 290.326 3.055 20 10 CGCDRN c1ccn(-c2ccc(-c3nc(-c4cocn4)no3)cc2)c1 ZINC000771353559 627702057 /nfs/dbraw/zinc/70/20/57/627702057.db2.gz LQWUXFDTNNFURW-UHFFFAOYSA-N 0 0 278.271 3.182 20 10 CGCDRN c1ccn(-c2ccc(-c3nc([C@@H]4CCCOC4)no3)cc2)c1 ZINC000771603283 627722770 /nfs/dbraw/zinc/72/27/70/627722770.db2.gz QPOHSPLUYYQKRU-CQSZACIVSA-N 0 0 295.342 3.421 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(F)CCCC1 ZINC000772160574 627769153 /nfs/dbraw/zinc/76/91/53/627769153.db2.gz OCUYNFFZWMMDFC-UHFFFAOYSA-N 0 0 290.382 3.185 20 10 CGCDRN C[C@@H](Nc1ncnc2[nH]ccc21)c1ccc(N(C)C)cc1 ZINC000772300919 627782962 /nfs/dbraw/zinc/78/29/62/627782962.db2.gz RALQRXYIGZKGAU-LLVKDONJSA-N 0 0 281.363 3.197 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000773000150 627839977 /nfs/dbraw/zinc/83/99/77/627839977.db2.gz NPARAAWLCXGMHH-HIFRSBDPSA-N 0 0 272.392 3.286 20 10 CGCDRN C[C@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000773011307 627842024 /nfs/dbraw/zinc/84/20/24/627842024.db2.gz FTASHAXXJLTWNO-KBPBESRZSA-N 0 0 297.402 3.129 20 10 CGCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773015596 627842745 /nfs/dbraw/zinc/84/27/45/627842745.db2.gz QFVZSEHKAIATFT-ZDUSSCGKSA-N 0 0 286.375 3.074 20 10 CGCDRN CCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773019769 627843287 /nfs/dbraw/zinc/84/32/87/627843287.db2.gz ZQCPBNRAJUZCPC-LBPRGKRZSA-N 0 0 260.381 3.120 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018872 627843335 /nfs/dbraw/zinc/84/33/35/627843335.db2.gz IUBTUKHZPJZFOD-VBNZEHGJSA-N 0 0 274.408 3.222 20 10 CGCDRN CCC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)OCC ZINC000774480061 627996455 /nfs/dbraw/zinc/99/64/55/627996455.db2.gz ZYCOFXHUYDNLRV-CJNGLKHVSA-N 0 0 292.423 3.135 20 10 CGCDRN CCC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)OCC ZINC000774480062 627996557 /nfs/dbraw/zinc/99/65/57/627996557.db2.gz ZYCOFXHUYDNLRV-CZUORRHYSA-N 0 0 292.423 3.135 20 10 CGCDRN CCc1nnc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000774481866 627997281 /nfs/dbraw/zinc/99/72/81/627997281.db2.gz ILJNCDATHSAWDF-RYUDHWBXSA-N 0 0 288.395 3.110 20 10 CGCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775177292 628068875 /nfs/dbraw/zinc/06/88/75/628068875.db2.gz QNYMPPONOIFSDS-MRXNPFEDSA-N 0 0 297.826 3.481 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Cl)ccc1O ZINC000775490663 628100425 /nfs/dbraw/zinc/10/04/25/628100425.db2.gz XCOQVHVLWXIFOW-GXTWGEPZSA-N 0 0 282.815 3.181 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)ccc1O ZINC000775493514 628100590 /nfs/dbraw/zinc/10/05/90/628100590.db2.gz UNBOBMMURKASSV-OCCSQVGLSA-N 0 0 282.815 3.181 20 10 CGCDRN CC[C@@H](Nc1ccc(OC)cn1)c1ccccc1O ZINC000775540980 628104946 /nfs/dbraw/zinc/10/49/46/628104946.db2.gz RKVADXZZXINJQU-CYBMUJFWSA-N 0 0 258.321 3.359 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000775656594 628120824 /nfs/dbraw/zinc/12/08/24/628120824.db2.gz WYRKCQQDYPUFKC-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN C[C@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775716369 628127252 /nfs/dbraw/zinc/12/72/52/628127252.db2.gz VGYWPIXSBQIRRC-IUCAKERBSA-N 0 0 257.736 3.415 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000775726059 628129448 /nfs/dbraw/zinc/12/94/48/628129448.db2.gz ONKLNPITYKNGJA-SNVBAGLBSA-N 0 0 269.747 3.417 20 10 CGCDRN Cc1cccc(CNc2cccc(-c3nc[nH]n3)c2)c1O ZINC000775748450 628132892 /nfs/dbraw/zinc/13/28/92/628132892.db2.gz AKOADKPARBSFQO-UHFFFAOYSA-N 0 0 280.331 3.098 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000776145156 628171247 /nfs/dbraw/zinc/17/12/47/628171247.db2.gz XHZBHPPCMNZUQE-UKRRQHHQSA-N 0 0 287.407 3.222 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC1CCC1 ZINC000776251406 628184502 /nfs/dbraw/zinc/18/45/02/628184502.db2.gz HABAFNKRRLYADH-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000776446010 628212443 /nfs/dbraw/zinc/21/24/43/628212443.db2.gz CBBFLQQUULKVGP-HIFRSBDPSA-N 0 0 274.408 3.147 20 10 CGCDRN CCCc1nnc(NCc2ccc(OCC)cc2O)s1 ZINC000777509087 628276473 /nfs/dbraw/zinc/27/64/73/628276473.db2.gz VYWUNEIKRREKKG-UHFFFAOYSA-N 0 0 293.392 3.207 20 10 CGCDRN CCc1cc(NCc2cccc(Br)c2O)no1 ZINC000777520182 628278021 /nfs/dbraw/zinc/27/80/21/628278021.db2.gz LRVGQPULGBPBLU-UHFFFAOYSA-N 0 0 297.152 3.317 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(F)cc(F)c1[O-] ZINC000779079099 628387172 /nfs/dbraw/zinc/38/71/72/628387172.db2.gz LTKQPUPROFKNOF-ONGXEEELSA-N 0 0 285.334 3.279 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(F)nc1 ZINC000779165258 628392237 /nfs/dbraw/zinc/39/22/37/628392237.db2.gz GGHSEJNCHROTKL-UHFFFAOYSA-N 0 0 272.323 3.182 20 10 CGCDRN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779489675 628415619 /nfs/dbraw/zinc/41/56/19/628415619.db2.gz RMMDOZZVNCYMIK-FROQITRMSA-N 0 0 297.354 3.031 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1ccccc1C ZINC000779658102 628419494 /nfs/dbraw/zinc/41/94/94/628419494.db2.gz SJKTZUWWSAYQKA-CMDGGOBGSA-N 0 0 282.343 3.162 20 10 CGCDRN COCc1ccc(CN2CCCc3cc(OC)ccc32)o1 ZINC000780766099 628515197 /nfs/dbraw/zinc/51/51/97/628515197.db2.gz FNOYJQGWWXWKMU-UHFFFAOYSA-N 0 0 287.359 3.387 20 10 CGCDRN CN(Cc1cccnc1)Cc1c(O)cccc1Cl ZINC000780890787 628522170 /nfs/dbraw/zinc/52/21/70/628522170.db2.gz JIQOZGLPQSDCGF-UHFFFAOYSA-N 0 0 262.740 3.073 20 10 CGCDRN CCCC1(CNC(=O)c2ccc(C)c(O)c2O)CCC1 ZINC000780967490 628527381 /nfs/dbraw/zinc/52/73/81/628527381.db2.gz VCSQOGATCYYOJQ-UHFFFAOYSA-N 0 0 277.364 3.106 20 10 CGCDRN CC(C)(C)CCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000781192733 628546180 /nfs/dbraw/zinc/54/61/80/628546180.db2.gz BICCCKLWQQUCKW-VURMDHGXSA-N 0 0 278.348 3.481 20 10 CGCDRN COC(=O)[C@H](Sc1ncc(C(C)(C)C)s1)C1CC1 ZINC000781604063 628577644 /nfs/dbraw/zinc/57/76/44/628577644.db2.gz HGFUJYISDKCWAB-SNVBAGLBSA-N 0 0 285.434 3.484 20 10 CGCDRN COC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nccs1 ZINC000783895901 628755873 /nfs/dbraw/zinc/75/58/73/628755873.db2.gz UTDBKTLBNWRILH-LLVKDONJSA-N 0 0 297.376 3.159 20 10 CGCDRN Cc1cccc([C@@H](C)OC(=O)c2cccc(O)c2O)c1 ZINC000784797136 628833496 /nfs/dbraw/zinc/83/34/96/628833496.db2.gz DPLQTLZFJLMPAY-LLVKDONJSA-N 0 0 272.300 3.324 20 10 CGCDRN CN(C)c1ccc(CN(C)OCc2ccccc2)cc1 ZINC000785764589 628886735 /nfs/dbraw/zinc/88/67/35/628886735.db2.gz VADWDLDPSXHPBE-UHFFFAOYSA-N 0 0 270.376 3.316 20 10 CGCDRN Cc1cccc(C)c1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875388270 634695875 /nfs/dbraw/zinc/69/58/75/634695875.db2.gz JJIZRUFYDAXOCX-UHFFFAOYSA-N 0 0 296.370 3.234 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000875397302 634696642 /nfs/dbraw/zinc/69/66/42/634696642.db2.gz ZDYLWYGSDOBODC-WDEREUQCSA-N 0 0 298.333 3.330 20 10 CGCDRN C[C@@H]([NH2+]CCCCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000786939182 628971446 /nfs/dbraw/zinc/97/14/46/628971446.db2.gz BRBVCJAHMUNCLC-MRVPVSSYSA-N 0 0 278.179 3.122 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(F)cn2)cc1F ZINC000787265178 629005628 /nfs/dbraw/zinc/00/56/28/629005628.db2.gz ZCLGFNSWQGKPTR-UHFFFAOYSA-N 0 0 264.275 3.005 20 10 CGCDRN COCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788496903 629059492 /nfs/dbraw/zinc/05/94/92/629059492.db2.gz BSPVTWUPNYVKJX-SECBINFHSA-N 0 0 277.286 3.098 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])N(C)C ZINC000788590343 629066773 /nfs/dbraw/zinc/06/67/73/629066773.db2.gz VMCRROFKBQMWOQ-ZJUUUORDSA-N 0 0 290.329 3.012 20 10 CGCDRN COC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788822622 629084515 /nfs/dbraw/zinc/08/45/15/629084515.db2.gz MWMKGHNAMNIPKU-IUCAKERBSA-N 0 0 277.286 3.097 20 10 CGCDRN COc1nn(C)cc1N[C@H](C)c1ccc2ccccc2c1O ZINC000788984665 629093821 /nfs/dbraw/zinc/09/38/21/629093821.db2.gz LYZVDBJAXGGNIY-LLVKDONJSA-N 0 0 297.358 3.461 20 10 CGCDRN C[C@H](NC(=O)NC1CCC2(CC2)CC1)c1ccccc1O ZINC000875534728 634708936 /nfs/dbraw/zinc/70/89/36/634708936.db2.gz ORHDJNUVBNCAPZ-LBPRGKRZSA-N 0 0 288.391 3.475 20 10 CGCDRN C[C@@H](O)CCCN1CCCc2cc(OC(F)F)ccc21 ZINC000789337695 629124823 /nfs/dbraw/zinc/12/48/23/629124823.db2.gz XZVBPJCJPZCUKR-LLVKDONJSA-N 0 0 285.334 3.202 20 10 CGCDRN COc1ccc(N(CCC[C@@H](C)O)CC(C)C)cc1 ZINC000789346653 629126014 /nfs/dbraw/zinc/12/60/14/629126014.db2.gz ZYRGRYIQXNLETR-CQSZACIVSA-N 0 0 265.397 3.319 20 10 CGCDRN CCN(CC)c1ccc(CNc2nnc(C)n2C2CC2)cc1 ZINC000789893407 629172409 /nfs/dbraw/zinc/17/24/09/629172409.db2.gz VSBZIJBKFIOMJC-UHFFFAOYSA-N 0 0 299.422 3.380 20 10 CGCDRN CCN(CC)C[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790959608 629243888 /nfs/dbraw/zinc/24/38/88/629243888.db2.gz JDJFKVHOOSPSBR-JTQLQIEISA-N 0 0 288.794 3.005 20 10 CGCDRN CCC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCOCC1 ZINC000790979561 629246061 /nfs/dbraw/zinc/24/60/61/629246061.db2.gz ASAXNKAMBYSOML-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN O=C(N[C@@H](c1ccccn1)C1CCC1)C1=CC(=O)CS1 ZINC000862745837 629427896 /nfs/dbraw/zinc/42/78/96/629427896.db2.gz HOLJINYVXSZFJL-CQSZACIVSA-N 0 0 288.372 3.120 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000862757411 629429951 /nfs/dbraw/zinc/42/99/51/629429951.db2.gz SVKQMJXCLKLQMF-STQMWFEESA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000862756232 629430170 /nfs/dbraw/zinc/43/01/70/629430170.db2.gz UJEDLFYVPROOKM-HOTGVXAUSA-N 0 0 299.345 3.260 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CSCCC(C)C)c1 ZINC000862758508 629430682 /nfs/dbraw/zinc/43/06/82/629430682.db2.gz BIELTDPHWSVNRQ-UHFFFAOYSA-N 0 0 281.421 3.096 20 10 CGCDRN Cc1cc(C(=O)NCc2cc(C)ccc2O)sc1C ZINC000862760684 629431778 /nfs/dbraw/zinc/43/17/78/629431778.db2.gz UMZKXKWIYHNJHK-UHFFFAOYSA-N 0 0 275.373 3.309 20 10 CGCDRN Cc1cc(C)cc(NC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000119337231 629496382 /nfs/dbraw/zinc/49/63/82/629496382.db2.gz GJEPTBKKMFPQSG-UHFFFAOYSA-N 0 0 286.331 3.036 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000794389988 629539121 /nfs/dbraw/zinc/53/91/21/629539121.db2.gz VRFZYZBNGWMXTK-IUODEOHRSA-N 0 0 291.391 3.233 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2nnc(C(C)C)[nH]2)cc1 ZINC000794536167 629551310 /nfs/dbraw/zinc/55/13/10/629551310.db2.gz VAEJPEZQGIGRPP-UHFFFAOYSA-N 0 0 288.395 3.352 20 10 CGCDRN CCCCCC[C@@H](C)NC(=O)CN(C)c1ccc(N)cc1 ZINC000863556732 629604877 /nfs/dbraw/zinc/60/48/77/629604877.db2.gz DIPWBFGMZJZKRI-CQSZACIVSA-N 0 0 291.439 3.180 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC12CC2 ZINC000875914008 634750767 /nfs/dbraw/zinc/75/07/67/634750767.db2.gz VZLXNWRJEZETKV-AWEZNQCLSA-N 0 0 288.391 3.114 20 10 CGCDRN COc1ccc(CNc2nc(C)ccc2Cl)c(O)c1 ZINC000795283569 629656512 /nfs/dbraw/zinc/65/65/12/629656512.db2.gz BWTOQHWVEQQGEE-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN COc1ccc(CNc2nnc(C(C)(C)C)s2)c(O)c1 ZINC000795285536 629656958 /nfs/dbraw/zinc/65/69/58/629656958.db2.gz RAJPWZMLQFTOFL-UHFFFAOYSA-N 0 0 293.392 3.162 20 10 CGCDRN Cc1cc(O)c(CNc2cccc(-n3nccn3)c2)cc1C ZINC000864044110 629736707 /nfs/dbraw/zinc/73/67/07/629736707.db2.gz SWCIJQCLHHJKIZ-UHFFFAOYSA-N 0 0 294.358 3.202 20 10 CGCDRN COc1cccc(OC)c1CNc1ccc2c(c1)ncn2C ZINC000796335454 629767761 /nfs/dbraw/zinc/76/77/61/629767761.db2.gz TZJZPIGCBRGOKH-UHFFFAOYSA-N 0 0 297.358 3.203 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cncc(C)c2)c1 ZINC000125691624 634762300 /nfs/dbraw/zinc/76/23/00/634762300.db2.gz XPPWACURZLBDNK-BQYQJAHWSA-N 0 0 266.344 3.375 20 10 CGCDRN COc1ccc(N(CCC(C)C)CC(OC)OC)cc1 ZINC000796504605 629790692 /nfs/dbraw/zinc/79/06/92/629790692.db2.gz OILWKTPYHUWSLN-UHFFFAOYSA-N 0 0 281.396 3.167 20 10 CGCDRN CC[C@@H]([NH2+]CCN(CC)C1CC1)c1ccc(F)cc1[O-] ZINC000796748333 629824853 /nfs/dbraw/zinc/82/48/53/629824853.db2.gz WOSABIDJUKTZIB-OAHLLOKOSA-N 0 0 280.387 3.056 20 10 CGCDRN CCc1cc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])[nH]n1 ZINC000796758744 629827546 /nfs/dbraw/zinc/82/75/46/629827546.db2.gz FXOLOVZRVUWZRF-CQSZACIVSA-N 0 0 277.343 3.058 20 10 CGCDRN CC[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(F)cc1[O-] ZINC000796766733 629829433 /nfs/dbraw/zinc/82/94/33/629829433.db2.gz WLTSTFZEDCIDFG-MRXNPFEDSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796774970 629831455 /nfs/dbraw/zinc/83/14/55/629831455.db2.gz AOTMCSXHZYKVPM-TZMCWYRMSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000796792617 629835179 /nfs/dbraw/zinc/83/51/79/629835179.db2.gz JYQZVKAGZNXFSS-WCQYABFASA-N 0 0 269.385 3.468 20 10 CGCDRN CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000797112295 629890234 /nfs/dbraw/zinc/89/02/34/629890234.db2.gz HHSNMGSGKGOKEF-OCCSQVGLSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@@H](CNC(=O)C1=CC(=O)CS1)CC(F)(F)F ZINC000839841857 630016984 /nfs/dbraw/zinc/01/69/84/630016984.db2.gz ADFGSAQYGOQJCV-SSDOTTSWSA-N 0 0 281.299 3.162 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCCc2sccc21 ZINC000798046280 630017970 /nfs/dbraw/zinc/01/79/70/630017970.db2.gz BBVNSENIKPGACL-UHFFFAOYSA-N 0 0 289.356 3.142 20 10 CGCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000798057328 630018478 /nfs/dbraw/zinc/01/84/78/630018478.db2.gz MCTNHICBBRLZSP-GDBMZVCRSA-N 0 0 289.423 3.131 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCF ZINC000798059624 630018681 /nfs/dbraw/zinc/01/86/81/630018681.db2.gz ZYTIATNZTHDRLX-UHFFFAOYSA-N 0 0 274.339 3.102 20 10 CGCDRN COc1cccc(OCCOc2ccc(N(C)C)cc2)c1 ZINC000798220338 630037451 /nfs/dbraw/zinc/03/74/51/630037451.db2.gz YCUQWMCAIGFVBI-UHFFFAOYSA-N 0 0 287.359 3.219 20 10 CGCDRN CCC(C)(C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000798425050 630055754 /nfs/dbraw/zinc/05/57/54/630055754.db2.gz WDSLQGZIBGQWNL-UHFFFAOYSA-N 0 0 277.412 3.083 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@@H]2CCc3ncnn32)s1 ZINC000865359172 630072881 /nfs/dbraw/zinc/07/28/81/630072881.db2.gz GNWKNYIMUMPXOF-VIFPVBQESA-N 0 0 294.449 3.312 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CCC[C@H](C)C1 ZINC000836665242 634788764 /nfs/dbraw/zinc/78/87/64/634788764.db2.gz CCXFQTFEOJHSKO-MELADBBJSA-N 0 0 290.407 3.406 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc(F)cc1[O-] ZINC000798936573 630126621 /nfs/dbraw/zinc/12/66/21/630126621.db2.gz BUPBKHFDDZMZGU-JSGCOSHPSA-N 0 0 295.398 3.371 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCOC1 ZINC000808070397 630160152 /nfs/dbraw/zinc/16/01/52/630160152.db2.gz VTPSWUMSTHPZAE-UHFFFAOYSA-N 0 0 298.386 3.223 20 10 CGCDRN CN1C(=O)/C(=C/c2ccc(F)nc2)c2cc(Cl)ccc21 ZINC000799502308 630193236 /nfs/dbraw/zinc/19/32/36/630193236.db2.gz ZJQRFGCCJIJROS-WUXMJOGZSA-N 0 0 288.709 3.391 20 10 CGCDRN CCOc1ccc(O)c(CN2CCCC[C@H]2C(F)F)c1 ZINC000800532934 630291851 /nfs/dbraw/zinc/29/18/51/630291851.db2.gz APMUHLBAOFCLLL-ZDUSSCGKSA-N 0 0 285.334 3.411 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC1CCC1 ZINC000839918048 630295092 /nfs/dbraw/zinc/29/50/92/630295092.db2.gz IYJRORIOOVYXOF-CQSZACIVSA-N 0 0 288.435 3.298 20 10 CGCDRN COc1cccc(O)c1CN1CCc2cc(F)ccc21 ZINC000802657884 630403993 /nfs/dbraw/zinc/40/39/93/630403993.db2.gz WUPSIBANGLGZSR-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000806138519 630547089 /nfs/dbraw/zinc/54/70/89/630547089.db2.gz WUYGAWKRWNCEDR-XHDPSFHLSA-N 0 0 294.826 3.323 20 10 CGCDRN CC[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CC1(C)C ZINC000841593729 630598625 /nfs/dbraw/zinc/59/86/25/630598625.db2.gz KNYVSOFWNXMHRH-STQMWFEESA-N 0 0 276.380 3.016 20 10 CGCDRN COc1cccc(CNC2(C(F)F)CCCC2)c1O ZINC000808451310 630646477 /nfs/dbraw/zinc/64/64/77/630646477.db2.gz MTUPABJRTBCPNX-UHFFFAOYSA-N 0 0 271.307 3.068 20 10 CGCDRN COc1cccc(CN2CCc3cccc(F)c32)c1O ZINC000809767305 630802595 /nfs/dbraw/zinc/80/25/95/630802595.db2.gz IKTZAHRRROHMOY-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN O=C1OCc2ccc(NCc3cc(Cl)ccc3O)cc21 ZINC000809788997 630809401 /nfs/dbraw/zinc/80/94/01/630809401.db2.gz RDBDLDBCAOWULT-UHFFFAOYSA-N 0 0 289.718 3.328 20 10 CGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1cccc(OC)c1O ZINC000878666472 635597902 /nfs/dbraw/zinc/59/79/02/635597902.db2.gz BUOZQUQYGCHZQE-CXAGYDPISA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1cc(NS(=O)(=O)CCC(C)(C)C)c(C)c(C)c1O ZINC000811699251 631112002 /nfs/dbraw/zinc/11/20/02/631112002.db2.gz PTIYBMPFYZURIG-UHFFFAOYSA-N 0 0 299.436 3.495 20 10 CGCDRN COc1ccc(O)c(CNc2nc3ccccc3nc2C)c1 ZINC000811806494 631121064 /nfs/dbraw/zinc/12/10/64/631121064.db2.gz ZWYJLYIVZNJVQX-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN CO[C@@](C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000812772948 631305974 /nfs/dbraw/zinc/30/59/74/631305974.db2.gz NSFJCYNMNRKTFE-AWEZNQCLSA-N 0 0 287.762 3.089 20 10 CGCDRN Cc1cc(O)c(CNc2cn(C)nc2C2CC2)cc1C ZINC000812777784 631306738 /nfs/dbraw/zinc/30/67/38/631306738.db2.gz VFJJGKKORADVFE-UHFFFAOYSA-N 0 0 271.364 3.232 20 10 CGCDRN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1O ZINC000840276745 631338658 /nfs/dbraw/zinc/33/86/58/631338658.db2.gz NILJRNJCEVKWGZ-ZIAGYGMSSA-N 0 0 290.407 3.406 20 10 CGCDRN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876545160 634854252 /nfs/dbraw/zinc/85/42/52/634854252.db2.gz BQRBSXNCBOOEHX-CQSZACIVSA-N 0 0 292.329 3.346 20 10 CGCDRN CC[C@H]1CCN1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000813590656 631439389 /nfs/dbraw/zinc/43/93/89/631439389.db2.gz BJNPEJUCLQJCHW-HNNXBMFYSA-N 0 0 289.423 3.227 20 10 CGCDRN COc1cccc(O)c1CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000814171852 631536365 /nfs/dbraw/zinc/53/63/65/631536365.db2.gz WOYPUPHZIJNPFE-KRWDZBQOSA-N 0 0 298.386 3.379 20 10 CGCDRN COC1(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000815145968 631729406 /nfs/dbraw/zinc/72/94/06/631729406.db2.gz JMZCQJRQOWJYHS-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN CCOCC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815147718 631731010 /nfs/dbraw/zinc/73/10/10/631731010.db2.gz DQUQYBVSHFZWOF-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN CC(C)O[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000815833248 631827649 /nfs/dbraw/zinc/82/76/49/631827649.db2.gz DWZVCPCCGPKMIF-QGZVFWFLSA-N 0 0 299.370 3.175 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816513173 631999270 /nfs/dbraw/zinc/99/92/70/631999270.db2.gz IRXLRDMGNWSJTC-DTORHVGOSA-N 0 0 257.736 3.273 20 10 CGCDRN C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514678 631999769 /nfs/dbraw/zinc/99/97/69/631999769.db2.gz FJGZLCLVDUSYRG-BDAKNGLRSA-N 0 0 257.736 3.415 20 10 CGCDRN C[N@H+](CCOC(C)(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816516426 632002349 /nfs/dbraw/zinc/00/23/49/632002349.db2.gz FLXVKNOLKPJQPS-UHFFFAOYSA-N 0 0 289.778 3.432 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C(C1CC1)C1CC1 ZINC000816542737 632007031 /nfs/dbraw/zinc/00/70/31/632007031.db2.gz ZJGJKLUHGLPQPY-UHFFFAOYSA-N 0 0 269.747 3.463 20 10 CGCDRN Cn1ncc(NCc2cc(Cl)c(F)cc2O)c1C1CC1 ZINC000816570701 632015674 /nfs/dbraw/zinc/01/56/74/632015674.db2.gz DSXZXWYXEBELBA-UHFFFAOYSA-N 0 0 295.745 3.408 20 10 CGCDRN CC(C)SCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816610082 632022480 /nfs/dbraw/zinc/02/24/80/632022480.db2.gz XEAGBZQBEHSELU-UHFFFAOYSA-N 0 0 277.792 3.416 20 10 CGCDRN Cc1ncsc1/C=C1/c2cccc3c2N(CCC3)C1=O ZINC000817347039 632129579 /nfs/dbraw/zinc/12/95/79/632129579.db2.gz ZAHBVZRKWBVVMJ-JYRVWZFOSA-N 0 0 282.368 3.285 20 10 CGCDRN CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000817415453 632145061 /nfs/dbraw/zinc/14/50/61/632145061.db2.gz TUNUIECUMKSWSQ-NEPJUHHUSA-N 0 0 287.762 3.232 20 10 CGCDRN CC(=O)CCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760998 632223609 /nfs/dbraw/zinc/22/36/09/632223609.db2.gz JHIDSXGMNFMCIV-UHFFFAOYSA-N 0 0 273.332 3.070 20 10 CGCDRN CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1[O-] ZINC000817958122 632253302 /nfs/dbraw/zinc/25/33/02/632253302.db2.gz SFGZDHJZLZUFHD-MRXNPFEDSA-N 0 0 288.366 3.397 20 10 CGCDRN CCCONC(=O)c1sccc1-n1c(C)ccc1C ZINC000844083532 635817089 /nfs/dbraw/zinc/81/70/89/635817089.db2.gz MUVCRISTGBRKDU-UHFFFAOYSA-N 0 0 278.377 3.227 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556534 632333957 /nfs/dbraw/zinc/33/39/57/632333957.db2.gz YULNHROSWDTWGI-QWHCGFSZSA-N 0 0 272.373 3.381 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C)c1 ZINC000819398586 632450876 /nfs/dbraw/zinc/45/08/76/632450876.db2.gz NKSZQCNTAYYALF-SGMGOOAPSA-N 0 0 291.391 3.404 20 10 CGCDRN CC1(C)CC[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000820451138 632630113 /nfs/dbraw/zinc/63/01/13/632630113.db2.gz RQZORDUCSRZSGP-RNZFLTOJSA-N 0 0 276.332 3.233 20 10 CGCDRN CCC[C@@H](CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000821065638 632721239 /nfs/dbraw/zinc/72/12/39/632721239.db2.gz QHBUOPZGSPCTHY-NWDGAFQWSA-N 0 0 279.380 3.404 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)/C=C/[C@H]3CCCO3)cc12 ZINC000821435165 632773134 /nfs/dbraw/zinc/77/31/34/632773134.db2.gz VJHBMFFZIASSTA-RCQQVGEISA-N 0 0 299.370 3.436 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@]2(C)CC=CCC2)cc1F ZINC000822863538 633031328 /nfs/dbraw/zinc/03/13/28/633031328.db2.gz QGGAXOVVRUZIAP-KRWDZBQOSA-N 0 0 290.382 3.254 20 10 CGCDRN C[C@@H](Nc1ccnc(C2CC2)n1)c1ccccc1O ZINC000866236402 633037641 /nfs/dbraw/zinc/03/76/41/633037641.db2.gz ANQGBKINQBFVKX-SNVBAGLBSA-N 0 0 255.321 3.233 20 10 CGCDRN CCCCN(CC(F)(F)F)C(=O)C1=CC(=O)CS1 ZINC000823235214 633079149 /nfs/dbraw/zinc/07/91/49/633079149.db2.gz XEMGWKYZDCKEAC-UHFFFAOYSA-N 0 0 281.299 3.258 20 10 CGCDRN C[C@H](CC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823485221 633112604 /nfs/dbraw/zinc/11/26/04/633112604.db2.gz MLOHQTYFIHKONB-SNVBAGLBSA-N 0 0 290.367 3.404 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(F)cc1[O-] ZINC000866473858 633149110 /nfs/dbraw/zinc/14/91/10/633149110.db2.gz JDKAUMLEPIVDGI-ZDUSSCGKSA-N 0 0 278.302 3.306 20 10 CGCDRN CC[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccccc1O ZINC000866638068 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3.050 20 10 CGCDRN Cc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(O)c1 ZINC000876764544 634895671 /nfs/dbraw/zinc/89/56/71/634895671.db2.gz QALNNNQVNBTTEI-UHFFFAOYSA-N 0 0 271.282 3.395 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1[nH]ccc1C1CC1 ZINC000837424133 634906350 /nfs/dbraw/zinc/90/63/50/634906350.db2.gz OQRULQZELKNSLR-UHFFFAOYSA-N 0 0 297.402 3.197 20 10 CGCDRN COCCOc1ccc(NCc2ccc(C)cc2O)cc1 ZINC000876823074 634907801 /nfs/dbraw/zinc/90/78/01/634907801.db2.gz XNGZMONFJROYMQ-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN CC(C)(C)c1cc(COC(=O)C2=CC(=O)CS2)no1 ZINC000837512973 634923413 /nfs/dbraw/zinc/92/34/13/634923413.db2.gz GBZHBDPBEFQNTP-UHFFFAOYSA-N 0 0 281.333 3.096 20 10 CGCDRN Cc1ccc(CNc2ccc3c(c2)OCCO3)c(O)c1 ZINC000876951683 634935034 /nfs/dbraw/zinc/93/50/34/634935034.db2.gz FJURKVMXBDDDCN-UHFFFAOYSA-N 0 0 271.316 3.084 20 10 CGCDRN CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877024659 634953694 /nfs/dbraw/zinc/95/36/94/634953694.db2.gz KQMOEGBKEDZJNM-SNVBAGLBSA-N 0 0 295.333 3.299 20 10 CGCDRN Cc1nc(C2CC2)ccc1C(=O)N(C)c1ccc(N)cc1 ZINC000877074197 634972713 /nfs/dbraw/zinc/97/27/13/634972713.db2.gz BQQJRNRXGXXKLX-UHFFFAOYSA-N 0 0 281.359 3.126 20 10 CGCDRN CCCN(C)c1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000877091279 634982365 /nfs/dbraw/zinc/98/23/65/634982365.db2.gz YYBBDJVJBAKUFF-UHFFFAOYSA-N 0 0 297.402 3.296 20 10 CGCDRN Cc1ccc(CNc2ccc(OC3COC3)cc2)c(O)c1 ZINC000877460901 635045353 /nfs/dbraw/zinc/04/53/53/635045353.db2.gz ZCSYODGUTMPUJG-UHFFFAOYSA-N 0 0 285.343 3.090 20 10 CGCDRN Cc1cccc(O)c1CN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000877470128 635050327 /nfs/dbraw/zinc/05/03/27/635050327.db2.gz DCTRFSHKPIVKAT-LLVKDONJSA-N 0 0 289.379 3.232 20 10 CGCDRN Cc1ccc(CCOC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000209517493 635056320 /nfs/dbraw/zinc/05/63/20/635056320.db2.gz VHELPFGUSXOBJK-CLFYSBASSA-N 0 0 298.338 3.205 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc(C(C)(C)C)o1 ZINC000840879869 635071874 /nfs/dbraw/zinc/07/18/74/635071874.db2.gz UGSOPOZNSPVELJ-UHFFFAOYSA-N 0 0 288.395 3.354 20 10 CGCDRN Cc1ccc(CNC2(C(F)F)CCCC2)c(O)c1 ZINC000877536187 635077008 /nfs/dbraw/zinc/07/70/08/635077008.db2.gz KKSBQFAJUQZXSD-UHFFFAOYSA-N 0 0 255.308 3.368 20 10 CGCDRN Cc1cccc(O)c1CN1Cc2cccc(F)c2C1 ZINC000877585577 635102125 /nfs/dbraw/zinc/10/21/25/635102125.db2.gz VBWKQEZZDRLBNR-UHFFFAOYSA-N 0 0 257.308 3.356 20 10 CGCDRN COc1ccc(N(C)Cc2cncc(OC)c2C)cc1 ZINC000877609072 635110269 /nfs/dbraw/zinc/11/02/69/635110269.db2.gz FJPLAHXOTSWIBJ-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN Cc1nn(C(C)(C)C)c(C)c1CNc1ccc(N)cc1 ZINC000841040189 635112344 /nfs/dbraw/zinc/11/23/44/635112344.db2.gz LTOOJNQIEFOJCK-UHFFFAOYSA-N 0 0 272.396 3.449 20 10 CGCDRN Nc1ccc(NC(=O)NCCC2Cc3ccccc3C2)cc1 ZINC000841297545 635148794 /nfs/dbraw/zinc/14/87/94/635148794.db2.gz STUXPOFXNHPMED-UHFFFAOYSA-N 0 0 295.386 3.195 20 10 CGCDRN C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300913 635149785 /nfs/dbraw/zinc/14/97/85/635149785.db2.gz WQSYISDCYORWPI-GOSISDBHSA-N 0 0 295.386 3.464 20 10 CGCDRN CCC1(c2ccccc2)CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299203 635149846 /nfs/dbraw/zinc/14/98/46/635149846.db2.gz WPWJWTGDTWXIMH-UHFFFAOYSA-N 0 0 295.386 3.464 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2Cc3cccc(O)c3C2)cc1C ZINC000877702813 635153730 /nfs/dbraw/zinc/15/37/30/635153730.db2.gz IPBKWSIVFLDYQO-UHFFFAOYSA-N 0 0 269.344 3.230 20 10 CGCDRN Oc1cccc2c1C[N@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000877702551 635154044 /nfs/dbraw/zinc/15/40/44/635154044.db2.gz AXQWJAFDPWLRRQ-UHFFFAOYSA-N 0 0 295.382 3.276 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)OC1CCC1 ZINC000841570833 635191875 /nfs/dbraw/zinc/19/18/75/635191875.db2.gz UGRXVSZJCCVRCN-ZDUSSCGKSA-N 0 0 290.407 3.271 20 10 CGCDRN C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753254 635226628 /nfs/dbraw/zinc/22/66/28/635226628.db2.gz YGFVNVGBMHFMAU-GHMZBOCLSA-N 0 0 271.788 3.105 20 10 CGCDRN C[C@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(F)cc1[O-] ZINC000841758424 635231428 /nfs/dbraw/zinc/23/14/28/635231428.db2.gz AUNIRQQBCSGTSA-ZBEGNZNMSA-N 0 0 287.334 3.453 20 10 CGCDRN c1cc(CCOc2ccc(N3CCCC3)cc2)sn1 ZINC000877878614 635249474 /nfs/dbraw/zinc/24/94/74/635249474.db2.gz BEFXFEJTASQHIW-UHFFFAOYSA-N 0 0 274.389 3.365 20 10 CGCDRN C[C@H]1CCCC[C@]1(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955407 635252497 /nfs/dbraw/zinc/25/24/97/635252497.db2.gz BCHSZVAHZLRJPI-GUYCJALGSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@@H]1CCCC[C@@]1(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955405 635252970 /nfs/dbraw/zinc/25/29/70/635252970.db2.gz BCHSZVAHZLRJPI-CXAGYDPISA-N 0 0 289.423 3.079 20 10 CGCDRN CCC(F)(F)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000877922458 635270548 /nfs/dbraw/zinc/27/05/48/635270548.db2.gz RVRSMUVGSHDRRW-UHFFFAOYSA-N 0 0 298.377 3.000 20 10 CGCDRN CC[C@@H](C)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877392 635504016 /nfs/dbraw/zinc/50/40/16/635504016.db2.gz CJLDCLDEVGALTP-ZIAGYGMSSA-N 0 0 291.391 3.111 20 10 CGCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000842913586 635510828 /nfs/dbraw/zinc/51/08/28/635510828.db2.gz CHEYGFJCRQWUAB-JBLDHEPKSA-N 0 0 287.350 3.118 20 10 CGCDRN CC(C)(CC(=O)NCc1ccccc1O)CC(F)F ZINC000878560067 635557244 /nfs/dbraw/zinc/55/72/44/635557244.db2.gz YBQSVIYVDUNBCR-UHFFFAOYSA-N 0 0 271.307 3.080 20 10 CGCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@H](OC)C1 ZINC000878565568 635557602 /nfs/dbraw/zinc/55/76/02/635557602.db2.gz PPPLZEYZUATVMM-FZNQNYSPSA-N 0 0 277.408 3.419 20 10 CGCDRN COc1ccc(N(C)Cc2scnc2Cl)cc1 ZINC000878802156 635632409 /nfs/dbraw/zinc/63/24/09/635632409.db2.gz XCSQGNMJOMIAAP-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843426766 635671306 /nfs/dbraw/zinc/67/13/06/635671306.db2.gz ACOMLLAQKJLLNQ-BXKDBHETSA-N 0 0 289.778 3.071 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCOC[C@@H]1C1CCC1 ZINC000843428865 635673372 /nfs/dbraw/zinc/67/33/72/635673372.db2.gz OCAKRNSCZPJZSH-CQSZACIVSA-N 0 0 281.783 3.047 20 10 CGCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCCC[C@@H]1C ZINC000843488939 635680230 /nfs/dbraw/zinc/68/02/30/635680230.db2.gz XWUSVDGRQLZLSL-XJKSGUPXSA-N 0 0 274.408 3.239 20 10 CGCDRN CC(C)CCc1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648861 635827112 /nfs/dbraw/zinc/82/71/12/635827112.db2.gz FHMKFPNKJXVIDD-GFCCVEGCSA-N 0 0 289.379 3.215 20 10 CGCDRN COc1ccc(N(C)Cc2noc(C(C)(C)C)n2)cc1 ZINC000844353319 635877261 /nfs/dbraw/zinc/87/72/61/635877261.db2.gz MWYKARYVJORBML-UHFFFAOYSA-N 0 0 275.352 3.012 20 10 CGCDRN COc1ccc(N(C)Cc2cn(C)nc2C(F)F)cc1 ZINC000844352995 635877642 /nfs/dbraw/zinc/87/76/42/635877642.db2.gz MUXBURNFEICSAW-UHFFFAOYSA-N 0 0 281.306 3.003 20 10 CGCDRN CCc1ccccc1NC(=O)CN(C)c1ccc(OC)cc1 ZINC000844353337 635877779 /nfs/dbraw/zinc/87/77/79/635877779.db2.gz NNWMLHFGRKXPOO-UHFFFAOYSA-N 0 0 298.386 3.333 20 10 CGCDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000844939171 635988856 /nfs/dbraw/zinc/98/88/56/635988856.db2.gz ZUMULYOYZFUCKZ-MRXNPFEDSA-N 0 0 299.370 3.354 20 10 CGCDRN Cc1ccc(O)c(CN2CCN(C)c3ccccc32)c1 ZINC000211420696 636081560 /nfs/dbraw/zinc/08/15/60/636081560.db2.gz BNHWOAGWDFTNTN-UHFFFAOYSA-N 0 0 268.360 3.157 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)c1 ZINC000845834099 636105480 /nfs/dbraw/zinc/10/54/80/636105480.db2.gz QNAKWYXOSNYQES-AVGNSLFASA-N 0 0 291.391 3.404 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2C(=O)N(C)C)cc1 ZINC000845997698 636127420 /nfs/dbraw/zinc/12/74/20/636127420.db2.gz CUTMDDBOVBAIGE-UHFFFAOYSA-N 0 0 298.386 3.033 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(N3CCCC3)nc2)cc1 ZINC000845999228 636128589 /nfs/dbraw/zinc/12/85/89/636128589.db2.gz SYTKKYGUZSPCAF-UHFFFAOYSA-N 0 0 297.402 3.327 20 10 CGCDRN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000846057004 636140089 /nfs/dbraw/zinc/14/00/89/636140089.db2.gz SVESNIUZYJVFSX-TZMCWYRMSA-N 0 0 287.762 3.232 20 10 CGCDRN C[C@H](COCC1CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000846073358 636141370 /nfs/dbraw/zinc/14/13/70/636141370.db2.gz LTTSDSZRJDGFJQ-SECBINFHSA-N 0 0 287.762 3.089 20 10 CGCDRN CCCCCCOCC(=O)NCc1cc(Cl)ccc1O ZINC000846476260 636188586 /nfs/dbraw/zinc/18/85/86/636188586.db2.gz MBCJVCKDDUJRRY-UHFFFAOYSA-N 0 0 299.798 3.259 20 10 CGCDRN C[C@@H]1CC=C(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846476535 636189141 /nfs/dbraw/zinc/18/91/41/636189141.db2.gz NGNUXZHTCYEAMG-SNVBAGLBSA-N 0 0 279.767 3.408 20 10 CGCDRN Cc1ncnc(NCc2ccc(N3CCCC3)cc2)c1C ZINC000881803231 636201386 /nfs/dbraw/zinc/20/13/86/636201386.db2.gz NEFYNSBJKZUTBD-UHFFFAOYSA-N 0 0 282.391 3.306 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C3CC3)ncn2)c1 ZINC000881917208 636215733 /nfs/dbraw/zinc/21/57/33/636215733.db2.gz GERSRGPKXZNMME-SNVBAGLBSA-N 0 0 285.347 3.241 20 10 CGCDRN CC(C)c1nccc(NCc2ccc(N(C)C)cc2)n1 ZINC000106462924 636218359 /nfs/dbraw/zinc/21/83/59/636218359.db2.gz BNXZJCFHBXTFKG-UHFFFAOYSA-N 0 0 270.380 3.278 20 10 CGCDRN CO[C@H](C)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846749360 636222958 /nfs/dbraw/zinc/22/29/58/636222958.db2.gz HZVPHHKKJBXGQP-LLVKDONJSA-N 0 0 262.378 3.281 20 10 CGCDRN c1csc(SC[C@@H]2CCC3(CCOCC3)CO2)n1 ZINC000882110766 636256860 /nfs/dbraw/zinc/25/68/60/636256860.db2.gz UACZQSQQOGSJMZ-NSHDSACASA-N 0 0 285.434 3.211 20 10 CGCDRN O=C(N[C@H]1c2ccccc2CC[C@@H]1F)C1=CC(=O)CS1 ZINC000882696188 636385925 /nfs/dbraw/zinc/38/59/25/636385925.db2.gz RVLZDDOLHFFUTK-JSGCOSHPSA-N 0 0 291.347 3.209 20 10 CGCDRN Cc1ncc(COc2ccc(N3CCCC3)cc2)o1 ZINC000882981646 636487235 /nfs/dbraw/zinc/48/72/35/636487235.db2.gz PUHXUUBXPSDTMV-UHFFFAOYSA-N 0 0 258.321 3.162 20 10 CGCDRN COc1ccc(CNC(=O)c2cccc(C3CC3)c2)c(O)c1 ZINC000848024037 636522665 /nfs/dbraw/zinc/52/26/65/636522665.db2.gz UTGPYXDHPCEALC-UHFFFAOYSA-N 0 0 297.354 3.208 20 10 CGCDRN CC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CC=CC1 ZINC000848560271 636605903 /nfs/dbraw/zinc/60/59/03/636605903.db2.gz CCZCHUZXKHHVAT-UHFFFAOYSA-N 0 0 255.720 3.383 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000848564534 636608703 /nfs/dbraw/zinc/60/87/03/636608703.db2.gz HGSOCHDNARWGBU-GHMZBOCLSA-N 0 0 292.329 3.347 20 10 CGCDRN CCCCCNC(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000131441574 636656349 /nfs/dbraw/zinc/65/63/49/636656349.db2.gz YIQFTCMUOHEEHX-UHFFFAOYSA-N 0 0 298.814 3.091 20 10 CGCDRN CCc1cccc(CNc2ccc(OC)c(CO)c2)c1O ZINC000848892444 636679050 /nfs/dbraw/zinc/67/90/50/636679050.db2.gz WWTLSHGTJZNENO-UHFFFAOYSA-N 0 0 287.359 3.068 20 10 CGCDRN CCc1cccc(CNc2ccnn2CC2CC2)c1O ZINC000848898644 636680790 /nfs/dbraw/zinc/68/07/90/636680790.db2.gz FQKJEDCKUKGRRU-UHFFFAOYSA-N 0 0 271.364 3.173 20 10 CGCDRN CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000108399033 636771542 /nfs/dbraw/zinc/77/15/42/636771542.db2.gz UOFQXAZOFNKTQQ-UHFFFAOYSA-N 0 0 276.380 3.094 20 10 CGCDRN C=C/C=C\CCNC(=O)N(CCC)Cc1ccccc1O ZINC000883913738 636875900 /nfs/dbraw/zinc/87/59/00/636875900.db2.gz CMJFUVMLSNQSSZ-WAYWQWQTSA-N 0 0 288.391 3.446 20 10 CGCDRN CCCn1ncnc1CSc1ncc(Cl)s1 ZINC000849999945 636925058 /nfs/dbraw/zinc/92/50/58/636925058.db2.gz DJMFCEYCYXKBLT-UHFFFAOYSA-N 0 0 274.802 3.090 20 10 CGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccn1 ZINC000850341687 637020591 /nfs/dbraw/zinc/02/05/91/637020591.db2.gz BVMRXBNXGIOVFX-SNVBAGLBSA-N 0 0 294.757 3.473 20 10 CGCDRN Cc1ccncc1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850355958 637024743 /nfs/dbraw/zinc/02/47/43/637024743.db2.gz OHXXKSPMGRPIDT-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN CCN(C)c1ccc([C@H](C)N[C@@H]2C[C@H](C)n3ncnc32)cc1 ZINC000850499452 637092290 /nfs/dbraw/zinc/09/22/90/637092290.db2.gz PUGOYABHGIDPQK-HEHGZKQESA-N 0 0 299.422 3.091 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(Cl)c1[O-] ZINC000850516093 637099394 /nfs/dbraw/zinc/09/93/94/637099394.db2.gz SIYCLEJTDOJVOD-MFKMUULPSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C1CC1 ZINC000850541337 637114795 /nfs/dbraw/zinc/11/47/95/637114795.db2.gz YREYIWXAMYGAMD-YGRLFVJLSA-N 0 0 277.364 3.018 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000850553863 637118445 /nfs/dbraw/zinc/11/84/45/637118445.db2.gz AGYPFKGNEABPOJ-MEDUHNTESA-N 0 0 291.391 3.264 20 10 CGCDRN CC1(C)C[C@@]1(C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000850710632 637135339 /nfs/dbraw/zinc/13/53/39/637135339.db2.gz FIUNEIPVQPAESH-IBGZPJMESA-N 0 0 294.398 3.253 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cc(C)nc(C)n1 ZINC000851722013 637475995 /nfs/dbraw/zinc/47/59/95/637475995.db2.gz IOJRCYSSHAWJCN-UHFFFAOYSA-N 0 0 283.375 3.055 20 10 CGCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ncco1 ZINC000886274384 637477453 /nfs/dbraw/zinc/47/74/53/637477453.db2.gz RRKUGNLGHSDQHA-ZDUSSCGKSA-N 0 0 271.364 3.126 20 10 CGCDRN CCN(Cc1cccc(F)n1)c1ccc(OC)cc1 ZINC000851828830 637516600 /nfs/dbraw/zinc/51/66/00/637516600.db2.gz SIXMJGJITYNONR-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886496705 637541995 /nfs/dbraw/zinc/54/19/95/637541995.db2.gz DLPUDCWDTAGWMO-QWRGUYRKSA-N 0 0 263.312 3.406 20 10 CGCDRN CC(C)n1ccc(CN[C@H](C)c2c(O)cccc2F)n1 ZINC000886530498 637556240 /nfs/dbraw/zinc/55/62/40/637556240.db2.gz LNQIBCJGMYNFFZ-LLVKDONJSA-N 0 0 277.343 3.160 20 10 CGCDRN CCC(CC)(CCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886534703 637560204 /nfs/dbraw/zinc/56/02/04/637560204.db2.gz MXWFKYNIYFMQLV-LBPRGKRZSA-N 0 0 283.387 3.371 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1c([O-])cccc1F ZINC000886547960 637573529 /nfs/dbraw/zinc/57/35/29/637573529.db2.gz VBTIPNUKDIXOIS-GFCCVEGCSA-N 0 0 288.366 3.448 20 10 CGCDRN CC(C)c1nnc([C@@H](C)N[C@@H](C)c2c(O)cccc2F)[nH]1 ZINC000886558653 637580999 /nfs/dbraw/zinc/58/09/99/637580999.db2.gz PBJDJXCTHZOKNO-VHSXEESVSA-N 0 0 292.358 3.185 20 10 CGCDRN CSc1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000110408714 637602185 /nfs/dbraw/zinc/60/21/85/637602185.db2.gz SYPGLZXJZYCUCH-UHFFFAOYSA-N 0 0 258.346 3.243 20 10 CGCDRN CCC(C)(C)OCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886623514 637614376 /nfs/dbraw/zinc/61/43/76/637614376.db2.gz FWBQMNCGUKLTDO-NSHDSACASA-N 0 0 269.360 3.387 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1c([O-])cccc1F ZINC000886631321 637618260 /nfs/dbraw/zinc/61/82/60/637618260.db2.gz KDTGAVXEYVLJCV-ATZCPNFKSA-N 0 0 255.358 3.076 20 10 CGCDRN C[C@@H](NC(=O)NCCC(C)(C)F)c1ccc(N(C)C)cc1 ZINC000852261543 637623284 /nfs/dbraw/zinc/62/32/84/637623284.db2.gz RRRQMCNPGQQKJG-GFCCVEGCSA-N 0 0 295.402 3.251 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCS1)c1c([O-])cccc1F ZINC000886646560 637626139 /nfs/dbraw/zinc/62/61/39/637626139.db2.gz MUBQIJYFCLPINQ-GHMZBOCLSA-N 0 0 269.385 3.468 20 10 CGCDRN CCN(CC)c1ccc(CN[C@H](C)c2ncc[nH]2)cc1 ZINC000138919587 637683207 /nfs/dbraw/zinc/68/32/07/637683207.db2.gz GQRDNQBNPTTXOP-CYBMUJFWSA-N 0 0 272.396 3.107 20 10 CGCDRN O=C1/C(=C/c2ccc(Cl)cn2)SC(=S)N1C1CC1 ZINC000887272867 637787348 /nfs/dbraw/zinc/78/73/48/637787348.db2.gz XKLPJRKAEKHPQS-YHYXMXQVSA-N 0 0 296.804 3.099 20 10 CGCDRN CN(Cc1ccn(-c2ccccc2)n1)Cc1ccccc1O ZINC000111235394 637804308 /nfs/dbraw/zinc/80/43/08/637804308.db2.gz WNNGMIPICURTBT-UHFFFAOYSA-N 0 0 293.370 3.210 20 10 CGCDRN CC[C@@H](N[C@H](C)C[NH2+]C)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231112 638029242 /nfs/dbraw/zinc/02/92/42/638029242.db2.gz DUPHHXARWLQTDT-PRHODGIISA-N 0 0 291.222 3.348 20 10 CGCDRN Cc1cc(C(=O)N2CCC2)c(C)n1-c1ccccc1C ZINC000008725776 638257001 /nfs/dbraw/zinc/25/70/01/638257001.db2.gz PNLLZMAUBKYNOA-UHFFFAOYSA-N 0 0 268.360 3.248 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)C1CCC(F)CC1 ZINC000856080495 638296488 /nfs/dbraw/zinc/29/64/88/638296488.db2.gz JLSZIFGNBIYKID-IDKOKCKLSA-N 0 0 271.357 3.100 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C[C@@H]3C=CCCC3)ccc21 ZINC000187276842 638298927 /nfs/dbraw/zinc/29/89/27/638298927.db2.gz UZBZKEBZLDUSFL-OAHLLOKOSA-N 0 0 298.430 3.432 20 10 CGCDRN COc1ccc(O)c(CNC(=O)/C=C(/C)c2ccccc2)c1 ZINC000114542971 638375344 /nfs/dbraw/zinc/37/53/44/638375344.db2.gz QOKCFUCIJGYBDI-RAXLEYEMSA-N 0 0 297.354 3.121 20 10 CGCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cscn1 ZINC000858189737 638654874 /nfs/dbraw/zinc/65/48/74/638654874.db2.gz WEZJTFOPONLIFE-VIFPVBQESA-N 0 0 297.374 3.338 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2CC=CC2)c1[O-] ZINC000858220899 638659140 /nfs/dbraw/zinc/65/91/40/638659140.db2.gz SSRBJQFAVURMRJ-UHFFFAOYSA-N 0 0 282.727 3.010 20 10 CGCDRN CC(C)CC[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000858240639 638661310 /nfs/dbraw/zinc/66/13/10/638661310.db2.gz CKOLXVDZWSKOMG-JTQLQIEISA-N 0 0 289.778 3.071 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCC2=CCCC2)c1 ZINC000858316191 638678632 /nfs/dbraw/zinc/67/86/32/638678632.db2.gz MTYMDMVLMJNLNL-UHFFFAOYSA-N 0 0 274.364 3.000 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCC(C)(C)C2)c1 ZINC000858339321 638686356 /nfs/dbraw/zinc/68/63/56/638686356.db2.gz WVZJQJHMEOHKAS-ZDUSSCGKSA-N 0 0 276.380 3.079 20 10 CGCDRN CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000858485996 638738065 /nfs/dbraw/zinc/73/80/65/638738065.db2.gz RKRMBOUAOHQXGW-JQWIXIFHSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1c([O-])cccc1F ZINC000926916967 638825075 /nfs/dbraw/zinc/82/50/75/638825075.db2.gz VQHPAVHOVMCBBN-SGIREYDYSA-N 0 0 279.355 3.141 20 10 CGCDRN CCC[C@@H](O)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000927013899 638831696 /nfs/dbraw/zinc/83/16/96/638831696.db2.gz AKTXGKHOACLJFA-OCCSQVGLSA-N 0 0 269.360 3.123 20 10 CGCDRN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(F)cc1[O-] ZINC000927165199 638849484 /nfs/dbraw/zinc/84/94/84/638849484.db2.gz ZYYYLOBNJNPRCW-NHYWBVRUSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCS[C@H](C)C1)c1ccccc1O ZINC000927228304 638850472 /nfs/dbraw/zinc/85/04/72/638850472.db2.gz DWBCHABKEFISMR-IJLUTSLNSA-N 0 0 294.420 3.037 20 10 CGCDRN CCC[C@H](C(=O)NCc1c(O)cccc1F)C(C)C ZINC000928706143 638889401 /nfs/dbraw/zinc/88/94/01/638889401.db2.gz RUMPVRKYINXENH-NSHDSACASA-N 0 0 267.344 3.220 20 10 CGCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCCc2ccccc21 ZINC000928712053 638889603 /nfs/dbraw/zinc/88/96/03/638889603.db2.gz NSEPTXUOSHHECV-AWEZNQCLSA-N 0 0 299.345 3.268 20 10 CGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1ccsc1 ZINC000928710547 638889801 /nfs/dbraw/zinc/88/98/01/638889801.db2.gz UTFNLLHRWWFVPH-WDEREUQCSA-N 0 0 291.347 3.013 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(CCF)c2)cc1Cl ZINC000929827893 638955380 /nfs/dbraw/zinc/95/53/80/638955380.db2.gz WUXZNDKXHGXHTO-UHFFFAOYSA-N 0 0 297.761 3.151 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@]12C[C@H]1CCC2 ZINC000930204544 638982857 /nfs/dbraw/zinc/98/28/57/638982857.db2.gz AEYNJUVYVJVNOS-CRAIPNDOSA-N 0 0 284.403 3.093 20 10 CGCDRN CC/C(C)=C(/C)C(=O)NCc1ccc2cccnc2c1O ZINC000862026895 639635111 /nfs/dbraw/zinc/63/51/11/639635111.db2.gz BXDBKGLPGWXZPE-QXMHVHEDSA-N 0 0 284.359 3.303 20 10 CGCDRN CCC(C)(C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862027525 639636529 /nfs/dbraw/zinc/63/65/29/639636529.db2.gz VYIMYRODQISWSM-UHFFFAOYSA-N 0 0 286.375 3.383 20 10 CGCDRN Cc1cc(C)cc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000042117319 639911606 /nfs/dbraw/zinc/91/16/06/639911606.db2.gz USUQEVSWOFTQAJ-UHFFFAOYSA-N 0 0 269.344 3.281 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000158070545 639996360 /nfs/dbraw/zinc/99/63/60/639996360.db2.gz CWMBJGCSFBPTFL-UHFFFAOYSA-N 0 0 291.734 3.064 20 10 CGCDRN Oc1c(Cl)cccc1CNc1ccc2c(c1)OCCO2 ZINC000158114860 639998294 /nfs/dbraw/zinc/99/82/94/639998294.db2.gz QSNCAIBJCNCZES-UHFFFAOYSA-N 0 0 291.734 3.429 20 10 CGCDRN CC(C)[C@@H](Sc1nccs1)C(=O)NC(C)(C)C ZINC000048876069 640075373 /nfs/dbraw/zinc/07/53/73/640075373.db2.gz VBXVWOGHAVSDMI-SECBINFHSA-N 0 0 272.439 3.175 20 10 CGCDRN COc1cccc(CNC(=O)Nc2ccc(C)s2)c1O ZINC000075413896 640135992 /nfs/dbraw/zinc/13/59/92/640135992.db2.gz IVOINUMRGWZMTI-UHFFFAOYSA-N 0 0 292.360 3.092 20 10 CGCDRN CCOc1ccccc1N(C)Cc1ccccc1O ZINC000188694696 640147089 /nfs/dbraw/zinc/14/70/89/640147089.db2.gz VSANKBRJKGZULL-UHFFFAOYSA-N 0 0 257.333 3.427 20 10 CGCDRN COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000188797598 640153783 /nfs/dbraw/zinc/15/37/83/640153783.db2.gz ZGVRIAZHHXIWDE-QWRGUYRKSA-N 0 0 290.338 3.347 20 10 CGCDRN CC[C@H](C(=O)NCc1cc(OC)ccc1O)c1ccccc1 ZINC000078726279 640336702 /nfs/dbraw/zinc/33/67/02/640336702.db2.gz AHCGKLRLYUTEEL-INIZCTEOSA-N 0 0 299.370 3.211 20 10 CGCDRN Cc1ccc(C(=O)N(CC2CCC2)C(C)C)c(O)c1O ZINC000193007055 640424548 /nfs/dbraw/zinc/42/45/48/640424548.db2.gz SZFZLXRETCNRBS-UHFFFAOYSA-N 0 0 277.364 3.057 20 10 CGCDRN C[C@@H](CC(=O)NCc1c(O)cccc1O)C1CCCCC1 ZINC001156881079 805744993 /nfs/dbraw/zinc/74/49/93/805744993.db2.gz OGGKFPGNZJXXOC-LBPRGKRZSA-N 0 0 291.391 3.321 20 10 CGCDRN C[C@H](CC(=O)NCc1c(O)cccc1O)CC(C)(C)C ZINC001156881115 805745670 /nfs/dbraw/zinc/74/56/70/805745670.db2.gz PSYZDMJNVLHNDG-LLVKDONJSA-N 0 0 279.380 3.176 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ncc(Cl)cc2N)cc1 ZINC001156920376 805753278 /nfs/dbraw/zinc/75/32/78/805753278.db2.gz BDDZAFIOOMXLGW-UHFFFAOYSA-N 0 0 290.798 3.020 20 10 CGCDRN CCCc1ccc(N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC001156921196 805753478 /nfs/dbraw/zinc/75/34/78/805753478.db2.gz VNBHOACTDHSWBD-UHFFFAOYSA-N 0 0 284.407 3.132 20 10 CGCDRN O=C(CC1CCC1)NCc1c(O)ccc2ccccc21 ZINC001157041336 805768586 /nfs/dbraw/zinc/76/85/86/805768586.db2.gz DSDNLIVRABRZRC-UHFFFAOYSA-N 0 0 269.344 3.352 20 10 CGCDRN COc1ccc2ccnc(NCc3ccc(O)c(O)c3)c2c1 ZINC001158997403 806029546 /nfs/dbraw/zinc/02/95/46/806029546.db2.gz GXGQNPUIXBAYCY-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN CC(C)(O)CNc1ccccc1C(=O)c1ccc(F)cc1 ZINC001252345909 806039525 /nfs/dbraw/zinc/03/95/25/806039525.db2.gz KHYUGWWIAIUIMR-UHFFFAOYSA-N 0 0 287.334 3.240 20 10 CGCDRN CC(C)(C)c1cnn2cc(Nc3ccc(N)cc3)cnc12 ZINC001159365452 806086738 /nfs/dbraw/zinc/08/67/38/806086738.db2.gz HFTXKLBGIOFLAG-UHFFFAOYSA-N 0 0 281.363 3.353 20 10 CGCDRN CCOc1ccc(Nc2ccc(N)cc2)c(OCC)n1 ZINC001159486141 806112885 /nfs/dbraw/zinc/11/28/85/806112885.db2.gz YEAVUPSLTGGWDE-UHFFFAOYSA-N 0 0 273.336 3.205 20 10 CGCDRN O=[N+]([O-])c1cc(F)ccc1Nc1ccc2c(c1)CCN2 ZINC001159523005 806117396 /nfs/dbraw/zinc/11/73/96/806117396.db2.gz SNEJYGGMJNEGOA-UHFFFAOYSA-N 0 0 273.267 3.446 20 10 CGCDRN CC/C=C\CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001159565139 806122106 /nfs/dbraw/zinc/12/21/06/806122106.db2.gz HGLJOWMNWIPYFK-ARJAWSKDSA-N 0 0 277.345 3.009 20 10 CGCDRN CCOC(=O)c1cccc(Nc2ccc(N)cc2)c1C ZINC001159640585 806139435 /nfs/dbraw/zinc/13/94/35/806139435.db2.gz OUBNCLJCOBZHCU-UHFFFAOYSA-N 0 0 270.332 3.498 20 10 CGCDRN Cc1c(C)n(-c2ccc(N)cc2)c2c1cccc2N ZINC001160224578 806237372 /nfs/dbraw/zinc/23/73/72/806237372.db2.gz ULYAPQHTQIVJIY-UHFFFAOYSA-N 0 0 251.333 3.412 20 10 CGCDRN Cc1cccc(CNc2ncnc3ccsc32)c1O ZINC001160764333 806300804 /nfs/dbraw/zinc/30/08/04/806300804.db2.gz FJZQISYLQQYUCT-UHFFFAOYSA-N 0 0 271.345 3.317 20 10 CGCDRN COc1cc(C)cnc1NCc1c(C)cc(C)cc1O ZINC001160810560 806305821 /nfs/dbraw/zinc/30/58/21/806305821.db2.gz SLJWMDPSGQDITB-UHFFFAOYSA-N 0 0 272.348 3.333 20 10 CGCDRN Cc1cc(C)c(CNc2cc(Cl)nnc2C)c(O)c1 ZINC001160808245 806306207 /nfs/dbraw/zinc/30/62/07/806306207.db2.gz OUKGZGJGKFOJRN-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(Cl)cc2N)c(O)c1 ZINC001160811472 806306353 /nfs/dbraw/zinc/30/63/53/806306353.db2.gz NSLDEBABARSSQY-UHFFFAOYSA-N 0 0 277.755 3.252 20 10 CGCDRN Cc1cc(C)c(CNc2nc(C)cnc2Cl)c(O)c1 ZINC001160810172 806306365 /nfs/dbraw/zinc/30/63/65/806306365.db2.gz LIBCFZRXDRYMRC-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN Nc1ccc(CNc2ccc3ccc([N+](=O)[O-])cc3n2)cc1 ZINC001162783872 806664413 /nfs/dbraw/zinc/66/44/13/806664413.db2.gz BQOLGCARWWCRLX-UHFFFAOYSA-N 0 0 294.314 3.337 20 10 CGCDRN Nc1ccc(CNC(F)(F)c2cccc(Cl)n2)cc1 ZINC001162784723 806664746 /nfs/dbraw/zinc/66/47/46/806664746.db2.gz UIQPOQOGTBBVCB-UHFFFAOYSA-N 0 0 283.709 3.156 20 10 CGCDRN Cc1nc2ccc(NC(=O)Cc3ccc(N)cc3)cc2s1 ZINC000037015849 798855592 /nfs/dbraw/zinc/85/55/92/798855592.db2.gz PWRRPSDPHCNTCR-UHFFFAOYSA-N 0 0 297.383 3.368 20 10 CGCDRN CC[C@@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323314 798866396 /nfs/dbraw/zinc/86/63/96/798866396.db2.gz NYFGUEVZYAJURX-SNVBAGLBSA-N 0 0 267.344 3.212 20 10 CGCDRN CC(=O)Nc1cc(NCc2cc(C)ccc2O)ccc1F ZINC000071408060 798917172 /nfs/dbraw/zinc/91/71/72/798917172.db2.gz VFQXJTOGSIUWDU-UHFFFAOYSA-N 0 0 288.322 3.410 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccnc2)cc1 ZINC000077678419 798927799 /nfs/dbraw/zinc/92/77/99/798927799.db2.gz FVWXSXXCPQVVJA-UHFFFAOYSA-N 0 0 298.390 3.250 20 10 CGCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128824299 799021419 /nfs/dbraw/zinc/02/14/19/799021419.db2.gz OIPCELKUGWXIKV-OAHLLOKOSA-N 0 0 297.782 3.122 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2c1cccc2C ZINC000186341352 799117663 /nfs/dbraw/zinc/11/76/63/799117663.db2.gz ZDFVPILYAHUIFF-VOTSOKGWSA-N 0 0 284.384 3.362 20 10 CGCDRN CC/C=C/C[NH2+]Cc1cccc(Br)c1[O-] ZINC000384981636 799420726 /nfs/dbraw/zinc/42/07/26/799420726.db2.gz JNLNJPLSXCYNJF-ONEGZZNKSA-N 0 0 270.170 3.211 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000387966588 799449414 /nfs/dbraw/zinc/44/94/14/799449414.db2.gz FDKCVBFQMITEIA-ZIAGYGMSSA-N 0 0 261.365 3.033 20 10 CGCDRN Cc1nnc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000391853743 799478884 /nfs/dbraw/zinc/47/88/84/799478884.db2.gz TZJLCXQXCZAYGX-MNOVXSKESA-N 0 0 290.436 3.324 20 10 CGCDRN CC(C)CC1(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000392009882 799480821 /nfs/dbraw/zinc/48/08/21/799480821.db2.gz RGUIFZOKQKLBKB-UHFFFAOYSA-N 0 0 261.369 3.217 20 10 CGCDRN Cc1cc(Br)c(O)c(CNCC(C)(F)F)c1 ZINC000393269772 799484874 /nfs/dbraw/zinc/48/48/74/799484874.db2.gz GCERTRLQRKLNFN-UHFFFAOYSA-N 0 0 294.139 3.208 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000395239754 799504147 /nfs/dbraw/zinc/50/41/47/799504147.db2.gz YHUZLWUXORTJGA-ABAIWWIYSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000398112526 799526676 /nfs/dbraw/zinc/52/66/76/799526676.db2.gz SGXVOWLRWPQIMS-UHFFFAOYSA-N 0 0 287.146 3.285 20 10 CGCDRN CC[C@H]1C[NH+](Cc2cccc(Cl)c2[O-])C[C@H](CC)O1 ZINC000398721966 799533367 /nfs/dbraw/zinc/53/33/67/799533367.db2.gz IXENKDJRQLALBD-STQMWFEESA-N 0 0 283.799 3.435 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH+]1C2CCC1CC2 ZINC000398902972 799533507 /nfs/dbraw/zinc/53/35/07/799533507.db2.gz QNTJSWQYVSJOTG-UHFFFAOYSA-N 0 0 282.181 3.282 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)[C@H](C)CO1 ZINC000403810486 799572180 /nfs/dbraw/zinc/57/21/80/799572180.db2.gz JOUHZPZPHUOJLI-MFKMUULPSA-N 0 0 299.798 3.054 20 10 CGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCc2ccccc21 ZINC000404876391 799580135 /nfs/dbraw/zinc/58/01/35/799580135.db2.gz WYLRETZYVHUVSU-CYBMUJFWSA-N 0 0 295.386 3.463 20 10 CGCDRN CC(C)CCC[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403604 799688864 /nfs/dbraw/zinc/68/88/64/799688864.db2.gz PURIOZFTCJGQCE-CHOZFAJLSA-N 0 0 291.391 3.442 20 10 CGCDRN Cc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1Cl ZINC000588595754 799719125 /nfs/dbraw/zinc/71/91/25/799719125.db2.gz DPUPSXBYSXORCT-UXBLZVDNSA-N 0 0 283.805 3.479 20 10 CGCDRN CCCN(Cc1cccc(CC)c1O)CC(F)F ZINC000692110513 799791662 /nfs/dbraw/zinc/79/16/62/799791662.db2.gz YKYDQOZUEFUCBD-UHFFFAOYSA-N 0 0 257.324 3.432 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccn1 ZINC000692696326 799797100 /nfs/dbraw/zinc/79/71/00/799797100.db2.gz OXHHRVRVCDOVMM-NEPJUHHUSA-N 0 0 274.339 3.381 20 10 CGCDRN C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000700726186 799877322 /nfs/dbraw/zinc/87/73/22/799877322.db2.gz VSRAGWKALQWCPG-VHSXEESVSA-N 0 0 255.308 3.196 20 10 CGCDRN [O-]c1c(CNc2ccc(F)cc2)ccc(F)c1F ZINC000700721617 799877951 /nfs/dbraw/zinc/87/79/51/799877951.db2.gz QMFOEKLYFMRKDN-UHFFFAOYSA-N 0 0 253.223 3.422 20 10 CGCDRN CCSCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703260454 799921854 /nfs/dbraw/zinc/92/18/54/799921854.db2.gz ZLSZXBMVRGIUEJ-VIFPVBQESA-N 0 0 275.364 3.292 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000703394638 799924565 /nfs/dbraw/zinc/92/45/65/799924565.db2.gz LELNCZLQNQHYIE-VIFPVBQESA-N 0 0 267.275 3.423 20 10 CGCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CC1CC1 ZINC000708140611 799983450 /nfs/dbraw/zinc/98/34/50/799983450.db2.gz YABLYNOHLDBKMH-UHFFFAOYSA-N 0 0 290.588 3.308 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000708382648 799986730 /nfs/dbraw/zinc/98/67/30/799986730.db2.gz GNTVWRJDQIUIIU-QMTHXVAHSA-N 0 0 267.319 3.435 20 10 CGCDRN C[C@H]1CCCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708383668 799986997 /nfs/dbraw/zinc/98/69/97/799986997.db2.gz NEDZDJQSKASAJN-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000708495447 799990484 /nfs/dbraw/zinc/99/04/84/799990484.db2.gz BKOWXIOZMQBWGG-HZMBPMFUSA-N 0 0 253.292 3.093 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2(C)CCCC2)c1[O-] ZINC000720385796 800257633 /nfs/dbraw/zinc/25/76/33/800257633.db2.gz LGLMPSPLFCAWJI-UHFFFAOYSA-N 0 0 279.355 3.498 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2cc[nH]c2C2CCC2)cc1 ZINC000809145339 800412444 /nfs/dbraw/zinc/41/24/44/800412444.db2.gz RPYHQZHSQQQYBE-UHFFFAOYSA-N 0 0 297.402 3.278 20 10 CGCDRN CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001116489103 802365794 /nfs/dbraw/zinc/36/57/94/802365794.db2.gz WVSYTJYSULGEKV-UONOGXRCSA-N 0 0 282.815 3.008 20 10 CGCDRN Cc1ncc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC001116584942 802382219 /nfs/dbraw/zinc/38/22/19/802382219.db2.gz OKHWKYFKTNFBMV-SSDOTTSWSA-N 0 0 284.331 3.286 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC001118177427 802534719 /nfs/dbraw/zinc/53/47/19/802534719.db2.gz RAOBCASOJQOZBC-WCFLWFBJSA-N 0 0 295.354 3.110 20 10 CGCDRN O=C(NCc1cccc(Cl)c1F)C1=CC(=O)CS1 ZINC001118556121 802582769 /nfs/dbraw/zinc/58/27/69/802582769.db2.gz UFNYWBCTOASACH-UHFFFAOYSA-N 0 0 285.727 3.176 20 10 CGCDRN S=C(NCc1cc(Cl)ccn1)Nc1ccccc1 ZINC001200825677 811748582 /nfs/dbraw/zinc/74/85/82/811748582.db2.gz AZYJYJZCPGILFN-UHFFFAOYSA-N 0 0 277.780 3.222 20 10 CGCDRN Cc1cc(NC(=S)NCc2ncccc2F)ccc1F ZINC001201040126 811781970 /nfs/dbraw/zinc/78/19/70/811781970.db2.gz JXFUYDZRKCBEPP-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cn(C)cn2)cc1Cl ZINC001125975506 803079742 /nfs/dbraw/zinc/07/97/42/803079742.db2.gz MMNOODRNTYAMOW-FNORWQNLSA-N 0 0 289.766 3.058 20 10 CGCDRN CC(C)Cn1ccc(-c2cnccc2C2CC2)cc1=O ZINC001244285642 803278539 /nfs/dbraw/zinc/27/85/39/803278539.db2.gz UOFGRGRFSGJPQP-UHFFFAOYSA-N 0 0 268.360 3.444 20 10 CGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2cccnc2C)cc1 ZINC001132833734 803438974 /nfs/dbraw/zinc/43/89/74/803438974.db2.gz HEJQZBKWRLXDOD-FLIBITNWSA-N 0 0 294.354 3.269 20 10 CGCDRN Cc1cc(Cl)c(N)c(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001244585609 803454986 /nfs/dbraw/zinc/45/49/86/803454986.db2.gz HMQAJMZBVRTKQA-UHFFFAOYSA-N 0 0 288.778 3.469 20 10 CGCDRN CCOc1ncc(-c2cnc3ccn(C)c3c2)cc1C ZINC001244684030 803494027 /nfs/dbraw/zinc/49/40/27/803494027.db2.gz LYDFOTIRPNFAPO-UHFFFAOYSA-N 0 0 267.332 3.342 20 10 CGCDRN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC001135646980 803608277 /nfs/dbraw/zinc/60/82/77/803608277.db2.gz LWIIHGIPMKKBSJ-UHFFFAOYSA-N 0 0 291.734 3.241 20 10 CGCDRN CC[N@H+](Cc1[nH]c(C)cc1C)Cc1ccccc1O ZINC001137331120 803716356 /nfs/dbraw/zinc/71/63/56/803716356.db2.gz QFNAVIGWAGURRQ-UHFFFAOYSA-N 0 0 258.365 3.359 20 10 CGCDRN Cn1c(=O)cc(-c2c[nH]c3ncc(F)cc23)c2ccccc21 ZINC001245432263 803736917 /nfs/dbraw/zinc/73/69/17/803736917.db2.gz BTDZGMAZRUIXJT-UHFFFAOYSA-N 0 0 293.301 3.221 20 10 CGCDRN CC(=O)c1ccc2c(c1)CN(Cc1c(O)cccc1F)CC2 ZINC001137840203 803779334 /nfs/dbraw/zinc/77/93/34/803779334.db2.gz SQSNPAULUDKQSE-UHFFFAOYSA-N 0 0 299.345 3.292 20 10 CGCDRN COc1cccc2c1CN(Cc1c(O)cccc1F)C2 ZINC001137840378 803779582 /nfs/dbraw/zinc/77/95/82/803779582.db2.gz ZCFKWXAHMKIHKV-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN Oc1cccc(F)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC001137837845 803779834 /nfs/dbraw/zinc/77/98/34/803779834.db2.gz WYKLQDUXVWLGID-QGZVFWFLSA-N 0 0 287.334 3.105 20 10 CGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC001137837321 803780502 /nfs/dbraw/zinc/78/05/02/803780502.db2.gz BCSOSGNYTSHHSG-UHFFFAOYSA-N 0 0 286.350 3.306 20 10 CGCDRN Oc1cccc2c1CN(Cc1c(F)ccc(F)c1F)CC2 ZINC001137932428 803800695 /nfs/dbraw/zinc/80/06/95/803800695.db2.gz XQVMURZMLMRMFV-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN COc1cccc(CC[N@H+](C)Cc2cccc(F)c2[O-])c1 ZINC001138128676 803862522 /nfs/dbraw/zinc/86/25/22/803862522.db2.gz UILZTBFOPYDLGK-UHFFFAOYSA-N 0 0 289.350 3.214 20 10 CGCDRN CC[N@@H+](Cc1cccc(F)c1[O-])Cc1ccccc1O ZINC001138129868 803865430 /nfs/dbraw/zinc/86/54/30/803865430.db2.gz XIXYMSPETIFNNS-UHFFFAOYSA-N 0 0 275.323 3.259 20 10 CGCDRN Oc1cccc(Br)c1Nc1ccncc1Cl ZINC001212155820 814986025 /nfs/dbraw/zinc/98/60/25/814986025.db2.gz ZDQJJINRWMGKBV-UHFFFAOYSA-N 0 0 299.555 3.369 20 10 CGCDRN Oc1cccc2c1CN(Cc1cc(F)cnc1Cl)CC2 ZINC001138895707 804067967 /nfs/dbraw/zinc/06/79/67/804067967.db2.gz JVXGWGFVDJDKRM-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCCCO ZINC001139124663 804134674 /nfs/dbraw/zinc/13/46/74/804134674.db2.gz YMDDJMXGGIDCMT-UHFFFAOYSA-N 0 0 293.407 3.074 20 10 CGCDRN CCCOC1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683225 804251437 /nfs/dbraw/zinc/25/14/37/804251437.db2.gz IHGTYQFDGDVGDK-UHFFFAOYSA-N 0 0 285.334 3.061 20 10 CGCDRN Cc1ccc(CN(C)Cc2c(F)ccc(F)c2[O-])cn1 ZINC001139686845 804255046 /nfs/dbraw/zinc/25/50/46/804255046.db2.gz GTQWPPICIPVVSC-UHFFFAOYSA-N 0 0 278.302 3.006 20 10 CGCDRN Cc1nc2c(s1)CN(Cc1c(O)cccc1Cl)C2 ZINC001140342759 804420030 /nfs/dbraw/zinc/42/00/30/804420030.db2.gz XITDLDGATPUZNT-UHFFFAOYSA-N 0 0 280.780 3.326 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCC[C@]1(C)O ZINC001140462508 804440909 /nfs/dbraw/zinc/44/09/09/804440909.db2.gz HULZVEWXJYNIDI-NHYWBVRUSA-N 0 0 283.799 3.029 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)[C@@H](C)C1 ZINC001140583959 804468369 /nfs/dbraw/zinc/46/83/69/804468369.db2.gz ZUAPBYFIODSNIF-UWVGGRQHSA-N 0 0 255.308 3.291 20 10 CGCDRN Cc1snnc1-c1nc(-c2cc(F)ccc2C)no1 ZINC001212405367 815020629 /nfs/dbraw/zinc/02/06/29/815020629.db2.gz QLBSIJBDZXTKEL-UHFFFAOYSA-N 0 0 276.296 3.011 20 10 CGCDRN Cc1c(O)ccc(CN2CCCC[C@@H]2C(F)(F)F)c1O ZINC001140745999 804502918 /nfs/dbraw/zinc/50/29/18/804502918.db2.gz RZDQQESATQXEHF-GFCCVEGCSA-N 0 0 289.297 3.323 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)C[C@@H](C)O1 ZINC001140921470 804549241 /nfs/dbraw/zinc/54/92/41/804549241.db2.gz DWROVQJCNQZFNO-VXGBXAGGSA-N 0 0 282.815 3.015 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(Cl)c1 ZINC001140925713 804550117 /nfs/dbraw/zinc/55/01/17/804550117.db2.gz VDLZVSDKEIGCSB-CYBMUJFWSA-N 0 0 296.842 3.000 20 10 CGCDRN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001140950991 804557224 /nfs/dbraw/zinc/55/72/24/804557224.db2.gz RZQUQRVBXCLSQE-OAHLLOKOSA-N 0 0 263.381 3.090 20 10 CGCDRN Oc1c(F)cc(F)cc1Nc1ccncc1C(F)(F)F ZINC001212477847 815033855 /nfs/dbraw/zinc/03/38/55/815033855.db2.gz NZAVCPXPLSWVLX-UHFFFAOYSA-N 0 0 290.191 3.250 20 10 CGCDRN CCC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508949 804727724 /nfs/dbraw/zinc/72/77/24/804727724.db2.gz QPPHHEIPDFDVFJ-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001142524666 804732322 /nfs/dbraw/zinc/73/23/22/804732322.db2.gz GBHNGFSYLWJDNY-MRVPVSSYSA-N 0 0 281.224 3.055 20 10 CGCDRN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142521043 804732429 /nfs/dbraw/zinc/73/24/29/804732429.db2.gz VFEPNVKNDXJPKT-VHSXEESVSA-N 0 0 255.308 3.291 20 10 CGCDRN CC[N@H+](Cc1cccc2[nH]cnc21)Cc1ccccc1O ZINC001142692443 804758261 /nfs/dbraw/zinc/75/82/61/804758261.db2.gz CXFZTVJYZSNQMS-UHFFFAOYSA-N 0 0 281.359 3.291 20 10 CGCDRN Cc1ccccc1-c1noc(Cc2ccc(O)c(O)c2)n1 ZINC001247959493 804856297 /nfs/dbraw/zinc/85/62/97/804856297.db2.gz ROBMNZCFBAQXIA-UHFFFAOYSA-N 0 0 282.299 3.047 20 10 CGCDRN Cc1ccc(-c2noc(Cc3ccc(O)c(O)c3)n2)cc1 ZINC001247959250 804856673 /nfs/dbraw/zinc/85/66/73/804856673.db2.gz OAVWVPYAZCESTF-UHFFFAOYSA-N 0 0 282.299 3.047 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2CC(C)(CO)C2)cc1Cl ZINC001248880081 805031096 /nfs/dbraw/zinc/03/10/96/805031096.db2.gz GHQGXERTJYDYFC-UHFFFAOYSA-N 0 0 297.826 3.157 20 10 CGCDRN Cc1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001151892755 805321139 /nfs/dbraw/zinc/32/11/39/805321139.db2.gz ZBNCMUREHMQLOL-NSHDSACASA-N 0 0 273.307 3.331 20 10 CGCDRN CCN(Cc1ccccc1O)c1cnc2ccccc2n1 ZINC001154890167 805505949 /nfs/dbraw/zinc/50/59/49/805505949.db2.gz RHQCKEAISNTOPD-UHFFFAOYSA-N 0 0 279.343 3.362 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2coc3ccccc23)c1 ZINC001167294115 807176163 /nfs/dbraw/zinc/17/61/63/807176163.db2.gz ZNQKOCREHBNZTL-UHFFFAOYSA-N 0 0 281.311 3.377 20 10 CGCDRN Cc1ccc(-c2nnc(-c3cccc(O)c3O)o2)cc1F ZINC001258719218 807569114 /nfs/dbraw/zinc/56/91/14/807569114.db2.gz QHZBMBKJALMZGF-UHFFFAOYSA-N 0 0 286.262 3.262 20 10 CGCDRN COc1cccc(N)c1N[C@H](C1CCC1)C(F)(F)F ZINC001169286904 807623906 /nfs/dbraw/zinc/62/39/06/807623906.db2.gz ZUDCVTWIHSIDSO-GFCCVEGCSA-N 0 0 274.286 3.420 20 10 CGCDRN CSc1ccc(Cl)nc1NCc1ccc(O)c(O)c1 ZINC001169990673 807733932 /nfs/dbraw/zinc/73/39/32/807733932.db2.gz LOEIWHZCNLWRFU-UHFFFAOYSA-N 0 0 296.779 3.480 20 10 CGCDRN Oc1ccc(CNc2cc(F)cc3cc[nH]c32)cc1O ZINC001169992709 807735573 /nfs/dbraw/zinc/73/55/73/807735573.db2.gz LEBYFYXXHFJHFN-UHFFFAOYSA-N 0 0 272.279 3.330 20 10 CGCDRN Oc1ccc(CNc2ccnc3c(F)cccc23)cc1O ZINC001169996922 807736285 /nfs/dbraw/zinc/73/62/85/807736285.db2.gz MMKUVMUEWAKWDH-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN Oc1ccc(CNc2ccc(F)c3cnccc23)cc1O ZINC001169995267 807736493 /nfs/dbraw/zinc/73/64/93/807736493.db2.gz WRCFUMWPCKKZSM-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN Cc1ccc(NCC(=O)c2ccc(O)c(O)c2)c2[nH]ccc21 ZINC001170322696 807826929 /nfs/dbraw/zinc/82/69/29/807826929.db2.gz MNAYPZVYOFSJJH-UHFFFAOYSA-N 0 0 296.326 3.182 20 10 CGCDRN Cc1ccc(NCC(=O)c2ccc(O)c(O)c2)c2cc[nH]c21 ZINC001170322677 807827265 /nfs/dbraw/zinc/82/72/65/807827265.db2.gz LRLXUXJFRUJZNG-UHFFFAOYSA-N 0 0 296.326 3.182 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)c1cccc2c1CCN2 ZINC001263115471 807934263 /nfs/dbraw/zinc/93/42/63/807934263.db2.gz SVJCTOQNRLCQNC-UHFFFAOYSA-N 0 0 278.355 3.166 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N2CC=CC23CCCC3)cc1 ZINC001263700440 807993998 /nfs/dbraw/zinc/99/39/98/807993998.db2.gz XBZKJWZZLYDDGK-UHFFFAOYSA-N 0 0 299.418 3.147 20 10 CGCDRN Oc1cccc2c1C[N@@H+]([C@H]1CCc3c(F)cccc3C1)CC2 ZINC001171442891 808058036 /nfs/dbraw/zinc/05/80/36/808058036.db2.gz UCBCJHZADMUIPJ-HNNXBMFYSA-N 0 0 297.373 3.447 20 10 CGCDRN C[C@H](NC(=O)c1cc2ccsc2[nH]1)c1ccccc1O ZINC001171730936 808126920 /nfs/dbraw/zinc/12/69/20/808126920.db2.gz SOKHFDDRLOBVDI-VIFPVBQESA-N 0 0 286.356 3.426 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001171745905 808129761 /nfs/dbraw/zinc/12/97/61/808129761.db2.gz HONAHSZBWFFNSQ-CHWSQXEVSA-N 0 0 289.297 3.241 20 10 CGCDRN CC(=O)c1cccc(Nc2ccnc3ccccc32)c1O ZINC001174039973 808837755 /nfs/dbraw/zinc/83/77/55/808837755.db2.gz LENYKKMWWRXRNM-UHFFFAOYSA-N 0 0 278.311 3.309 20 10 CGCDRN CCN(CC)C(=O)c1cccc(Nc2ccc(N)cc2)c1 ZINC001174167328 808895427 /nfs/dbraw/zinc/89/54/27/808895427.db2.gz HQLGQNRPDKXYQL-UHFFFAOYSA-N 0 0 283.375 3.494 20 10 CGCDRN CCc1cccc(N(C)C(=O)/C=C(/C)c2cnccn2)c1 ZINC001275097639 808908452 /nfs/dbraw/zinc/90/84/52/808908452.db2.gz AHCMVSFBAGGFOE-RAXLEYEMSA-N 0 0 281.359 3.105 20 10 CGCDRN CNc1ncc2cc(N(C)c3ccc(N)cc3)ccc2n1 ZINC001174533501 809066701 /nfs/dbraw/zinc/06/67/01/809066701.db2.gz BKFPDZNAENOSJV-UHFFFAOYSA-N 0 0 279.347 3.022 20 10 CGCDRN Cc1ccc2n[nH]cc2c1Nc1cccc(O)c1O ZINC001175525837 809443556 /nfs/dbraw/zinc/44/35/56/809443556.db2.gz HRLFTEYDLXHEHD-UHFFFAOYSA-N 0 0 255.277 3.026 20 10 CGCDRN Nc1ccc(Nc2cnn(-c3ccccc3)c2)cc1 ZINC001175794566 809545625 /nfs/dbraw/zinc/54/56/25/809545625.db2.gz QAPYNADZYNZWSP-UHFFFAOYSA-N 0 0 250.305 3.198 20 10 CGCDRN Cc1cc(C)c(C(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC001302786892 809601130 /nfs/dbraw/zinc/60/11/30/809601130.db2.gz KMPUUKBXLGAGBM-UHFFFAOYSA-N 0 0 281.355 3.473 20 10 CGCDRN CN(C)c1ccc(/C=C/C(=O)N2CCC3(CCC3)C2)cc1 ZINC001180126082 809975845 /nfs/dbraw/zinc/97/58/45/809975845.db2.gz CVHCWVMJRRBAHH-RMKNXTFCSA-N 0 0 284.403 3.168 20 10 CGCDRN CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001180631962 810015625 /nfs/dbraw/zinc/01/56/25/810015625.db2.gz FOECTMSNFFKJLC-STQMWFEESA-N 0 0 299.361 3.352 20 10 CGCDRN CC(=O)Nc1ccc(NCc2ccc(Cl)cc2O)nc1 ZINC001180811493 810022541 /nfs/dbraw/zinc/02/25/41/810022541.db2.gz REFBUZFQPQITBW-UHFFFAOYSA-N 0 0 291.738 3.011 20 10 CGCDRN C[C@H](C1CC1)n1cc(NCc2cc(F)c(F)cc2O)cn1 ZINC001181125498 810038960 /nfs/dbraw/zinc/03/89/60/810038960.db2.gz OCBUMPVXQSPALW-SECBINFHSA-N 0 0 293.317 3.450 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CC(F)F ZINC001182969016 810133876 /nfs/dbraw/zinc/13/38/76/810133876.db2.gz OZAIWKQOFWBHDL-OAHLLOKOSA-N 0 0 297.345 3.404 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC001183920237 810169604 /nfs/dbraw/zinc/16/96/04/810169604.db2.gz VWYYETJJLHRDCR-KGLIPLIRSA-N 0 0 271.335 3.425 20 10 CGCDRN Fc1cc(F)cc(-c2nc(Sc3nccs3)n[nH]2)c1 ZINC001185518078 810270604 /nfs/dbraw/zinc/27/06/04/810270604.db2.gz JBTQBQJKTNBSQA-UHFFFAOYSA-N 0 0 296.327 3.358 20 10 CGCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc(C2CC2)cc1 ZINC001190464680 810629748 /nfs/dbraw/zinc/62/97/48/810629748.db2.gz SIYIYFYKCFAMQP-UHFFFAOYSA-N 0 0 289.356 3.070 20 10 CGCDRN CC(C)OC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001193498532 810897516 /nfs/dbraw/zinc/89/75/16/810897516.db2.gz GXJDOQMUQJVAIK-UHFFFAOYSA-N 0 0 276.380 3.312 20 10 CGCDRN COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001197875996 811460501 /nfs/dbraw/zinc/46/05/01/811460501.db2.gz CNBUMIMBOGVJSY-LLVKDONJSA-N 0 0 286.331 3.284 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ccc(C)cn2)cc1 ZINC001197933312 811466560 /nfs/dbraw/zinc/46/65/60/811466560.db2.gz CGWWHYOLKXYXFT-UHFFFAOYSA-N 0 0 271.389 3.185 20 10 CGCDRN Cc1ccccc1NC(=S)NCc1ncc(F)cc1F ZINC001198445484 811504189 /nfs/dbraw/zinc/50/41/89/811504189.db2.gz HZHJNAKSMDQKOT-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CC[C@@H](C)CNC(=S)N(C)Cc1ccc(N(C)C)cc1 ZINC001200256257 811655738 /nfs/dbraw/zinc/65/57/38/811655738.db2.gz AZZGQCAPOSUHKU-CYBMUJFWSA-N 0 0 293.480 3.105 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc(C3CC3)cc2)cc1 ZINC001201681463 811935930 /nfs/dbraw/zinc/93/59/30/811935930.db2.gz PSEWJCONDPJFOG-UHFFFAOYSA-N 0 0 268.360 3.277 20 10 CGCDRN COC(=O)c1c(F)ccc(N(C)c2ccc(N)cc2)c1F ZINC001215196787 815493580 /nfs/dbraw/zinc/49/35/80/815493580.db2.gz KRNARXYKSWRLMH-UHFFFAOYSA-N 0 0 292.285 3.102 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CC[C@H](CF)C(F)(F)C1 ZINC001203651167 812415497 /nfs/dbraw/zinc/41/54/97/812415497.db2.gz KBWKZXSAYAKXOT-SNVBAGLBSA-N 0 0 293.716 3.472 20 10 CGCDRN Oc1cccc(Nc2cc(F)cc3[nH]ccc32)c1O ZINC001203732942 812444532 /nfs/dbraw/zinc/44/45/32/812444532.db2.gz DEWNOYYECKMQJS-UHFFFAOYSA-N 0 0 258.252 3.462 20 10 CGCDRN Oc1ccc(CN2CCc3c(Cl)cccc3C2)cc1O ZINC001203879074 812478426 /nfs/dbraw/zinc/47/84/26/812478426.db2.gz DVADDLQCLFXHCB-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)CC1(F)F ZINC001203931178 812494174 /nfs/dbraw/zinc/49/41/74/812494174.db2.gz NZTMEGNRNYMGOF-GFCCVEGCSA-N 0 0 268.351 3.230 20 10 CGCDRN CN(C)c1ccc(CN2Cc3cnc(Cl)cc3C2)cc1 ZINC001203936768 812498211 /nfs/dbraw/zinc/49/82/11/812498211.db2.gz MZTIGIZFZOIQPH-UHFFFAOYSA-N 0 0 287.794 3.317 20 10 CGCDRN C[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001204163722 812559815 /nfs/dbraw/zinc/55/98/15/812559815.db2.gz SWSLGPWJMZHQQB-UWVGGRQHSA-N 0 0 255.308 3.291 20 10 CGCDRN CCOC1CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204232699 812580077 /nfs/dbraw/zinc/58/00/77/812580077.db2.gz ISTHPRANEBFMCR-UHFFFAOYSA-N 0 0 284.403 3.127 20 10 CGCDRN COc1cc(C[N@H+](C)C/C=C/c2ccccc2)cc(O)c1O ZINC001204346099 812615626 /nfs/dbraw/zinc/61/56/26/812615626.db2.gz LDGKMPLJJOSPGT-RMKNXTFCSA-N 0 0 299.370 3.252 20 10 CGCDRN COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc(O)c1O ZINC001204341390 812616775 /nfs/dbraw/zinc/61/67/75/812616775.db2.gz BJIVLAIJHMZQFQ-HNNXBMFYSA-N 0 0 299.370 3.444 20 10 CGCDRN Cc1nn(C)c2ccc(Nc3cccc(O)c3O)cc12 ZINC001204870148 812758774 /nfs/dbraw/zinc/75/87/74/812758774.db2.gz JDOPRAPVGYSHAP-UHFFFAOYSA-N 0 0 269.304 3.037 20 10 CGCDRN Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1F ZINC001205193068 812904386 /nfs/dbraw/zinc/90/43/86/812904386.db2.gz NYLRNTZIZFMXOA-UHFFFAOYSA-N 0 0 271.335 3.398 20 10 CGCDRN COc1ccc(O)c(CN2C[C@@H](C)Oc3ccc(C)cc32)c1 ZINC001205269533 812924869 /nfs/dbraw/zinc/92/48/69/812924869.db2.gz ITZCIKQQZMKYPG-CYBMUJFWSA-N 0 0 299.370 3.497 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(O)c(F)c1 ZINC001205327468 812957710 /nfs/dbraw/zinc/95/77/10/812957710.db2.gz LOLKUMQABMYVOG-UHFFFAOYSA-N 0 0 287.334 3.493 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCC1(F)CCC1 ZINC001206128199 813208340 /nfs/dbraw/zinc/20/83/40/813208340.db2.gz SIKJQRGWWUEZCC-UHFFFAOYSA-N 0 0 259.271 3.042 20 10 CGCDRN CCC1(C)C[NH+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001206195132 813234526 /nfs/dbraw/zinc/23/45/26/813234526.db2.gz QALUCHGLDYCEFD-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN COc1ccc(N(C)CC2(OC)CCCCC2)cc1 ZINC001206552095 813350558 /nfs/dbraw/zinc/35/05/58/813350558.db2.gz GWLGJUDZVZBDME-UHFFFAOYSA-N 0 0 263.381 3.481 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1cncc(Cl)c1 ZINC001208056500 813686828 /nfs/dbraw/zinc/68/68/28/813686828.db2.gz HBNYGSFRBWSOGT-UHFFFAOYSA-N 0 0 291.738 3.105 20 10 CGCDRN COc1ccc(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209728921 814123205 /nfs/dbraw/zinc/12/32/05/814123205.db2.gz VSCQURAYCCUPLA-UHFFFAOYSA-N 0 0 274.295 3.382 20 10 CGCDRN Oc1ccc(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209766265 814134856 /nfs/dbraw/zinc/13/48/56/814134856.db2.gz LNTVJSWASJNMQY-UHFFFAOYSA-N 0 0 260.268 3.079 20 10 CGCDRN O=c1cc(-c2ccccc2-n2cccn2)ccn1CC1CC1 ZINC001242713001 823109207 /nfs/dbraw/zinc/10/92/07/823109207.db2.gz LNBARRHSCQXCMJ-UHFFFAOYSA-N 0 0 291.354 3.111 20 10 CGCDRN CN(c1ccc(N)cc1)c1cnccc1C(F)(F)F ZINC001210096767 814284911 /nfs/dbraw/zinc/28/49/11/814284911.db2.gz HWARQLANDHQSBN-UHFFFAOYSA-N 0 0 267.254 3.451 20 10 CGCDRN CN(c1cccc(-c2cccnc2)c1)c1ncccc1N ZINC001211142223 814837430 /nfs/dbraw/zinc/83/74/30/814837430.db2.gz MCJOZIMYXFMUQS-UHFFFAOYSA-N 0 0 276.343 3.494 20 10 CGCDRN Cn1cncc1N(c1ccccc1)c1ccc(N)cc1 ZINC001211250295 814860464 /nfs/dbraw/zinc/86/04/64/814860464.db2.gz HNTJSGFLOMCDDK-UHFFFAOYSA-N 0 0 264.332 3.472 20 10 CGCDRN Cc1c(Nc2ccc(N)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211298478 814873302 /nfs/dbraw/zinc/87/33/02/814873302.db2.gz MMDLLAXJHACBJN-UHFFFAOYSA-N 0 0 288.263 3.137 20 10 CGCDRN Cc1cscc1NC(=O)NCc1cc(C)ccc1O ZINC001216051163 815673793 /nfs/dbraw/zinc/67/37/93/815673793.db2.gz WWTHZYKFXNMYBK-UHFFFAOYSA-N 0 0 276.361 3.392 20 10 CGCDRN Cc1cc(Cl)ncc1Nc1cccc(O)c1O ZINC001216280429 815766989 /nfs/dbraw/zinc/76/69/89/815766989.db2.gz RJHDXNDQBKSXJJ-UHFFFAOYSA-N 0 0 250.685 3.198 20 10 CGCDRN COc1cc(C)c(C)cc1N(CCO)c1ccc(N)cc1 ZINC001216372921 815802549 /nfs/dbraw/zinc/80/25/49/815802549.db2.gz AZCQYMUJRNQOQK-UHFFFAOYSA-N 0 0 286.375 3.025 20 10 CGCDRN COc1cc(N(C)c2ccc(N)cc2)c(Cl)cn1 ZINC001216388104 815808675 /nfs/dbraw/zinc/80/86/75/815808675.db2.gz WZIRGTYNWHPAIK-UHFFFAOYSA-N 0 0 263.728 3.094 20 10 CGCDRN Nc1ccc(CO[C@@H]2CCc3ccccc3C2)cc1 ZINC001217881575 815988601 /nfs/dbraw/zinc/98/86/01/815988601.db2.gz XAYAYHMPYWYCDC-QGZVFWFLSA-N 0 0 253.345 3.343 20 10 CGCDRN COC(=O)c1cncc(-c2cccc3c2cc(C)n3C)c1 ZINC001243156249 823266999 /nfs/dbraw/zinc/26/69/99/823266999.db2.gz CJOUJRSZNAUFDW-UHFFFAOYSA-N 0 0 280.327 3.335 20 10 CGCDRN CC/C=C\CCOC(=O)[C@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939032 817759003 /nfs/dbraw/zinc/75/90/03/817759003.db2.gz IRXXIPRJYDVMNB-AFNCTOJWSA-N 0 0 291.391 3.419 20 10 CGCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC001231447199 818101055 /nfs/dbraw/zinc/10/10/55/818101055.db2.gz PBUFKLDSXJHPIC-HNNXBMFYSA-N 0 0 297.354 3.080 20 10 CGCDRN O=C([O-])c1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c(O)c1 ZINC001231453978 818102518 /nfs/dbraw/zinc/10/25/18/818102518.db2.gz SFBSGVOQELMJCE-UHFFFAOYSA-N 0 0 289.375 3.247 20 10 CGCDRN CCCCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231562983 818124152 /nfs/dbraw/zinc/12/41/52/818124152.db2.gz KXQHJZPZCRIALX-UHFFFAOYSA-N 0 0 291.391 3.493 20 10 CGCDRN O=C([O-])c1ccc(O)c(C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC001231566331 818124299 /nfs/dbraw/zinc/12/42/99/818124299.db2.gz YABHEDNQPUIDIG-UHFFFAOYSA-N 0 0 297.354 3.255 20 10 CGCDRN C[N@H+](C/C=C/c1ccccc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566262 818124873 /nfs/dbraw/zinc/12/48/73/818124873.db2.gz VRCCKQNHDWWFIE-VMPITWQZSA-N 0 0 297.354 3.236 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2O)Cc2ccccc21 ZINC001231560224 818124950 /nfs/dbraw/zinc/12/49/50/818124950.db2.gz CRSRWEJMXZHKQE-LBPRGKRZSA-N 0 0 297.354 3.210 20 10 CGCDRN C[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588832 818128874 /nfs/dbraw/zinc/12/88/74/818128874.db2.gz VTKSBWZDDVYMFW-YPMHNXCESA-N 0 0 259.324 3.478 20 10 CGCDRN C[C@@]1(O)CCCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231588134 818129603 /nfs/dbraw/zinc/12/96/03/818129603.db2.gz MTAFTYYHHPTRKA-GOSISDBHSA-N 0 0 285.387 3.282 20 10 CGCDRN Oc1c(C[N@@H+]2CCC[C@@]23CCOC3)ccc2ccccc21 ZINC001231880252 818200142 /nfs/dbraw/zinc/20/01/42/818200142.db2.gz ANGAYCAEKWRPNF-SFHVURJKSA-N 0 0 283.371 3.300 20 10 CGCDRN CC(C)[N@@H+](Cc1c([O-])ccc(F)c1F)CC1CC1 ZINC001233334853 818584980 /nfs/dbraw/zinc/58/49/80/818584980.db2.gz WWBBVGWJAWUQDZ-UHFFFAOYSA-N 0 0 255.308 3.291 20 10 CGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]21 ZINC001233454806 818623051 /nfs/dbraw/zinc/62/30/51/818623051.db2.gz KQZQXKJCHHGVBA-TXEJJXNPSA-N 0 0 285.309 3.499 20 10 CGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001233499538 818628683 /nfs/dbraw/zinc/62/86/83/818628683.db2.gz ZPZUUNCJEGRNSL-LYOVBCGYSA-N 0 0 288.343 3.424 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C(C)C)C(F)(F)F ZINC001234474013 818862342 /nfs/dbraw/zinc/86/23/42/818862342.db2.gz MWWNPMKHXXRSEO-LBPRGKRZSA-N 0 0 292.253 3.266 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCCC[C@H]1C ZINC001234473955 818862776 /nfs/dbraw/zinc/86/27/76/818862776.db2.gz MDUYNZNLHDOXNO-YMTOWFKASA-N 0 0 264.321 3.258 20 10 CGCDRN CCC[N@H+](C)Cc1cc(F)cc(Br)c1[O-] ZINC001235297607 819063621 /nfs/dbraw/zinc/06/36/21/819063621.db2.gz OFSBEDHZUVSFCI-UHFFFAOYSA-N 0 0 276.149 3.136 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)[C@@H]1CO ZINC001235674999 819135015 /nfs/dbraw/zinc/13/50/15/819135015.db2.gz LLMMRPKIXIPHHK-CZUORRHYSA-N 0 0 291.435 3.283 20 10 CGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001236790571 819595626 /nfs/dbraw/zinc/59/56/26/819595626.db2.gz QGPRDLPODLIABK-DGCLKSJQSA-N 0 0 288.174 3.062 20 10 CGCDRN CCOC1CC[NH+](Cc2ccc(OC)c(Cl)c2[O-])CC1 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Cc1cc(N(C)C)ccc1CNc1cc(C2CC2)ncn1 ZINC001306964393 932764237 /nfs/dbraw/zinc/76/42/37/932764237.db2.gz ORLIHLQOUSUVLA-UHFFFAOYSA-N 0 0 282.391 3.341 20 10 CGCDRN Cc1ccc(O)c(CNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001307168286 932924409 /nfs/dbraw/zinc/92/44/09/932924409.db2.gz BHJMJAFCOOJYJH-UHFFFAOYSA-N 0 0 293.710 3.269 20 10 CGCDRN C[C@H](Sc1ncc(Cl)s1)c1cnccn1 ZINC001307375940 932945451 /nfs/dbraw/zinc/94/54/51/932945451.db2.gz BKXIEWSTYSDBFD-LURJTMIESA-N 0 0 257.771 3.440 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1OCCN(C)c1ccc2c(c1)OCO2 ZINC001307587159 932973733 /nfs/dbraw/zinc/97/37/33/932973733.db2.gz SWGQDYBIGZYICG-HIFRSBDPSA-N 0 0 291.391 3.447 20 10 CGCDRN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308728931 933165351 /nfs/dbraw/zinc/16/53/51/933165351.db2.gz CHONHKSBMHRJSU-CBAPKCEASA-N 0 0 295.251 3.443 20 10 CGCDRN Cc1cc(O)c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1Cl ZINC001308730957 933165614 /nfs/dbraw/zinc/16/56/14/933165614.db2.gz DHUKUBCPFVMKJP-ZBEGNZNMSA-N 0 0 295.810 3.353 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Cc1ccc([C@@H](C)Nc2ccc(CCC(N)=O)cc2)c(O)c1 ZINC001320259477 934022012 /nfs/dbraw/zinc/02/20/12/934022012.db2.gz QUSCOCAQXJQWIE-CYBMUJFWSA-N 0 0 298.386 3.292 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc(F)cc1[O-] ZINC001320410419 934044057 /nfs/dbraw/zinc/04/40/57/934044057.db2.gz BDWMWQSBMQDBPC-GLQYFDAESA-N 0 0 280.387 3.055 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Cc2cccc(Cl)c2)c1 ZINC001470255102 937749991 /nfs/dbraw/zinc/74/99/91/937749991.db2.gz QOCLXKPSXYVIQM-UHFFFAOYSA-N 0 0 289.762 3.213 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)c(F)cc1F ZINC001471194259 937762454 /nfs/dbraw/zinc/76/24/54/937762454.db2.gz GHDXIJRZOBIABP-JTQLQIEISA-N 0 0 291.297 3.470 20 10 CGCDRN Cc1ccccc1C(F)(F)C(=O)NCc1ccccc1O ZINC001323189785 934370626 /nfs/dbraw/zinc/37/06/26/934370626.db2.gz ARJNEMRZHLEZMR-UHFFFAOYSA-N 0 0 291.297 3.109 20 10 CGCDRN O=C(Cc1ccc(Cl)cc1)NCc1c(O)cccc1F ZINC001471975407 937771329 /nfs/dbraw/zinc/77/13/29/937771329.db2.gz YVIBOUYZFWTNNJ-UHFFFAOYSA-N 0 0 293.725 3.044 20 10 CGCDRN CCOc1cc(N[C@@H](C)c2ccccc2O)nc(C)n1 ZINC001472856223 937786895 /nfs/dbraw/zinc/78/68/95/937786895.db2.gz MXOUZOOTYSBFDP-JTQLQIEISA-N 0 0 273.336 3.062 20 10 CGCDRN NC(=O)[C@H](Sc1ncc(Cl)s1)c1ccccc1 ZINC001473067326 937791768 /nfs/dbraw/zinc/79/17/68/937791768.db2.gz ZXVNBPZDMKKBTG-SECBINFHSA-N 0 0 284.793 3.115 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(F)cc1 ZINC001324859841 934867017 /nfs/dbraw/zinc/86/70/17/934867017.db2.gz ZPVABAALSPJMMC-UHFFFAOYSA-N 0 0 291.669 3.268 20 10 CGCDRN CC(C(=O)Nc1c2nonc2ccc1Cl)=C1CCC1 ZINC001324971534 934878072 /nfs/dbraw/zinc/87/80/72/934878072.db2.gz RMKKUVMPXIPYDZ-UHFFFAOYSA-N 0 0 277.711 3.315 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001331959717 935427147 /nfs/dbraw/zinc/42/71/47/935427147.db2.gz LKQMRNZPUNSCEV-UHFFFAOYSA-N 0 0 289.325 3.449 20 10 CGCDRN COc1ccc(C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001332420190 935467651 /nfs/dbraw/zinc/46/76/51/935467651.db2.gz LWXNGSUHKQEQMM-GOSISDBHSA-N 0 0 299.370 3.093 20 10 CGCDRN C[C@@H](OC1CCCCC1)C(=O)N[C@@H](C)c1ccccc1O ZINC001332487848 935474277 /nfs/dbraw/zinc/47/42/77/935474277.db2.gz KCCCCOOUAGCNHQ-QWHCGFSZSA-N 0 0 291.391 3.307 20 10 CGCDRN Cc1cc(CC(=O)NC2(C)CC2)c(C)n1-c1ccccc1 ZINC001334072567 936083256 /nfs/dbraw/zinc/08/32/56/936083256.db2.gz PXWBHDQNAYHOPI-UHFFFAOYSA-N 0 0 282.387 3.305 20 10 CGCDRN FC(F)(F)[C@@H](NCc1ccc2c(c1)CCCO2)C1CC1 ZINC001474168712 937842697 /nfs/dbraw/zinc/84/26/97/937842697.db2.gz HQLNFJDBWVINNE-AWEZNQCLSA-N 0 0 285.309 3.442 20 10 CGCDRN Cc1nocc1NCc1c(C)c2ccccc2n1C ZINC001474252262 937846514 /nfs/dbraw/zinc/84/65/14/937846514.db2.gz JEQBXWOWUFWJSA-UHFFFAOYSA-N 0 0 255.321 3.395 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CCC=CCC2)c1 ZINC001474277257 937847931 /nfs/dbraw/zinc/84/79/31/937847931.db2.gz FKELSNWJFTVILT-UHFFFAOYSA-N 0 0 276.336 3.136 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1(C2CCC2)CCC1 ZINC001474572907 937868039 /nfs/dbraw/zinc/86/80/39/937868039.db2.gz LESMPUICIFAEKH-UHFFFAOYSA-N 0 0 267.319 3.483 20 10 CGCDRN Cc1ccc(CNc2cc3cc[nH]c3cn2)c(O)c1 ZINC001474604053 937869872 /nfs/dbraw/zinc/86/98/72/937869872.db2.gz WPDJDRRWYOWWQW-UHFFFAOYSA-N 0 0 253.305 3.189 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+](CC1CC1)CC1CC1 ZINC001474634181 937872032 /nfs/dbraw/zinc/87/20/32/937872032.db2.gz BRKYMIFIWZCQDT-UHFFFAOYSA-N 0 0 267.319 3.292 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]CCCOc1cccc(F)c1 ZINC001474742390 937878287 /nfs/dbraw/zinc/87/82/87/937878287.db2.gz OMXSFCLIWDCYHJ-UHFFFAOYSA-N 0 0 293.313 3.229 20 10 CGCDRN Cc1sccc1NC(=O)NCc1c(O)cccc1F ZINC001476974295 937891458 /nfs/dbraw/zinc/89/14/58/937891458.db2.gz LDDKKSAAIJBBBC-UHFFFAOYSA-N 0 0 280.324 3.223 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001514804715 938002783 /nfs/dbraw/zinc/00/27/83/938002783.db2.gz BWNRCZNQPVFZAZ-LSDHHAIUSA-N 0 0 288.391 3.018 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001520359504 938025081 /nfs/dbraw/zinc/02/50/81/938025081.db2.gz PKRAEOPPBPNCHJ-XGEHTFHBSA-N 0 0 291.738 3.107 20 10 CGCDRN C[C@H](NC(=O)N(C)CC1CCC1)c1ccc(N(C)C)cc1 ZINC001520856093 938028139 /nfs/dbraw/zinc/02/81/39/938028139.db2.gz KGVKOUHQGDAZRJ-ZDUSSCGKSA-N 0 0 289.423 3.255 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCc1cccc(O)c1O ZINC001528771432 938069220 /nfs/dbraw/zinc/06/92/20/938069220.db2.gz PCRJUZOABLWHJA-GFCCVEGCSA-N 0 0 279.380 3.176 20 10 CGCDRN CC(C)c1ccccc1N(C)C(=O)/C=C\c1cn(C)cn1 ZINC001534941851 938098084 /nfs/dbraw/zinc/09/80/84/938098084.db2.gz CUDXFKSGCHHHCH-KTKRTIGZSA-N 0 0 283.375 3.220 20 10 CGCDRN CC(C)CCCCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001540762640 938133701 /nfs/dbraw/zinc/13/37/01/938133701.db2.gz CUNZWVURUGZAFV-UHFFFAOYSA-N 0 0 293.407 3.363 20 10 CGCDRN O=C(Nc1c(F)cccc1NC1CC1)C1=CC(=O)CS1 ZINC001545189771 938148991 /nfs/dbraw/zinc/14/89/91/938148991.db2.gz IYRBDGKUHVJOMW-UHFFFAOYSA-N 0 0 292.335 3.419 20 10 CGCDRN O=C(Nc1ccccc1NC1CCC1)c1cccc(O)c1O ZINC001557346986 938209461 /nfs/dbraw/zinc/20/94/61/938209461.db2.gz IEIZHZPUGLODQW-UHFFFAOYSA-N 0 0 298.342 3.315 20 10 CGCDRN CC(C)SCC(=O)NCc1c(O)ccc2ccccc21 ZINC001558553298 938216257 /nfs/dbraw/zinc/21/62/57/938216257.db2.gz MHMLWZTWIPXSJU-UHFFFAOYSA-N 0 0 289.400 3.303 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C(C1CC1)C1CC1 ZINC001560324531 938253033 /nfs/dbraw/zinc/25/30/33/938253033.db2.gz RLOLTEBCNHMLMH-UHFFFAOYSA-N 0 0 269.747 3.463 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2[O-])cc1F ZINC001561019436 938289974 /nfs/dbraw/zinc/28/99/74/938289974.db2.gz CQEWGXVREGERQR-UHFFFAOYSA-N 0 0 281.277 3.408 20 10 CGCDRN CC(C)(C)c1coc(CNCc2cc(F)c(F)cc2O)n1 ZINC001561043480 938291320 /nfs/dbraw/zinc/29/13/20/938291320.db2.gz YNXKXLCBNQHNSL-UHFFFAOYSA-N 0 0 296.317 3.246 20 10 CGCDRN Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)c(O)c1 ZINC001594292424 957835243 /nfs/dbraw/zinc/83/52/43/957835243.db2.gz JBPMENYHKRJEOI-IYXRBSQSSA-N 0 0 291.391 3.303 20 10 CGCDRN CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001565580525 960794484 /nfs/dbraw/zinc/79/44/84/960794484.db2.gz ZQVBFTSATCYBQG-KBPBESRZSA-N 0 0 291.391 3.115 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccsc2)cc1 ZINC001565963524 960853908 /nfs/dbraw/zinc/85/39/08/960853908.db2.gz RFKMYRFVIGQSHK-UHFFFAOYSA-N 0 0 274.305 3.163 20 10 CGCDRN Cc1ccc(C(=O)N2CCCCC[C@H]2C(C)C)c(O)c1O ZINC001566936955 961055710 /nfs/dbraw/zinc/05/57/10/961055710.db2.gz ZWYUHOKSSOZBBF-AWEZNQCLSA-N 0 0 291.391 3.447 20 10 CGCDRN COC(=O)[C@@H](C)Cc1ccc(NCc2ccc(N)cc2)cc1 ZINC001578768228 962603926 /nfs/dbraw/zinc/60/39/26/962603926.db2.gz LAAREYLXORVPIG-ZDUSSCGKSA-N 0 0 298.386 3.233 20 10 CGCDRN COc1cc(C)cc(NC(=O)NCc2ccc(N)cc2)c1C ZINC001579145763 962613688 /nfs/dbraw/zinc/61/36/88/962613688.db2.gz WUNXKKMGWWQBFJ-UHFFFAOYSA-N 0 0 299.374 3.216 20 10 CGCDRN Cn1cc(C(=O)Oc2ccc(N)cc2)c2cc(F)ccc21 ZINC001579955115 962688543 /nfs/dbraw/zinc/68/85/43/962688543.db2.gz LOPQRBXOIZHAQU-UHFFFAOYSA-N 0 0 284.290 3.119 20 10 CGCDRN Nc1ccc(CNC(=O)Nc2cccc3cccnc32)cc1 ZINC001580445533 962727890 /nfs/dbraw/zinc/72/78/90/962727890.db2.gz INUSVOOZHVXJMO-UHFFFAOYSA-N 0 0 292.342 3.139 20 10 CGCDRN COCc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001587450930 963195297 /nfs/dbraw/zinc/19/52/97/963195297.db2.gz ARKVZDBLMKLRIK-LBPRGKRZSA-N 0 0 285.343 3.030 20 10 CGCDRN CC[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(C)cc1O ZINC001589568110 963998617 /nfs/dbraw/zinc/99/86/17/963998617.db2.gz KCVLBANWAPSRFC-SSDMNJCBSA-N 0 0 291.391 3.385 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593222108 994331345 /nfs/dbraw/zinc/33/13/45/994331345.db2.gz HDPSMYRPPIONOL-ONGXEEELSA-N 0 0 299.317 3.319 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001593258302 994540589 /nfs/dbraw/zinc/54/05/89/994540589.db2.gz ZRZXSISVKJWRTD-FZMZJTMJSA-N 0 0 297.354 3.081 20 10 CGCDRN CCCCc1nc(CSc2nccs2)no1 ZINC000064669923 345263967 /nfs/dbraw/zinc/26/39/67/345263967.db2.gz GWVOEJBRFVJTKT-UHFFFAOYSA-N 0 0 255.368 3.161 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(CCF)CC1 ZINC000290842040 346425947 /nfs/dbraw/zinc/42/59/47/346425947.db2.gz NQWDDJRHKIEYQY-UHFFFAOYSA-N 0 0 291.366 3.027 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187725142 299314650 /nfs/dbraw/zinc/31/46/50/299314650.db2.gz AXNRYBSWRURRMX-VHSXEESVSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000191204000 296125070 /nfs/dbraw/zinc/12/50/70/296125070.db2.gz CSEVSASSDSCMPY-GFCCVEGCSA-N 0 0 298.377 3.053 20 10 CGCDRN CC[C@@H](SC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000125118801 370930402 /nfs/dbraw/zinc/93/04/02/370930402.db2.gz RWZPVPHGPQDXTJ-OAHLLOKOSA-N 0 0 293.432 3.029 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(N(C)C)cc2)cc1 ZINC000032117912 368926557 /nfs/dbraw/zinc/92/65/57/368926557.db2.gz FNVMRXKKVRXFIJ-UHFFFAOYSA-N 0 0 269.392 3.431 20 10 CGCDRN CCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411612 369219690 /nfs/dbraw/zinc/21/96/90/369219690.db2.gz AJKZNEUFXSICHO-UHFFFAOYSA-N 0 0 258.159 3.044 20 10 CGCDRN CC(C)c1cccc(N(C)C(=O)C=Cc2c[nH]cn2)c1 ZINC000493721749 244217704 /nfs/dbraw/zinc/21/77/04/244217704.db2.gz LIJLRCXKZVAHKZ-FPLPWBNLSA-N 0 0 269.348 3.209 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCCO1 ZINC000048411068 369347190 /nfs/dbraw/zinc/34/71/90/369347190.db2.gz WZIGNMVPRMQSHE-ZDUSSCGKSA-N 0 0 274.389 3.358 20 10 CGCDRN C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287816034 371709414 /nfs/dbraw/zinc/70/94/14/371709414.db2.gz UYASNJAMPPFZDA-UOLJMSNASA-N 0 0 283.799 3.413 20 10 CGCDRN Cc1ccoc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028331878 541857227 /nfs/dbraw/zinc/85/72/27/541857227.db2.gz CNRNTLQVEVVUSI-UHFFFAOYSA-N 0 0 284.359 3.118 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000293733157 372464069 /nfs/dbraw/zinc/46/40/69/372464069.db2.gz WOCGSHHGIPCCFO-YVLXSGLVSA-N 0 0 299.773 3.232 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294071222 372572979 /nfs/dbraw/zinc/57/29/79/372572979.db2.gz QMBCDIWGSUAFPU-HZPDHXFCSA-N 0 0 293.794 3.189 20 10 CGCDRN CC(C)C[C@]1(C)CCCN1C(=O)c1cccc(O)c1O ZINC000295817771 372921277 /nfs/dbraw/zinc/92/12/77/372921277.db2.gz PFQUNNZKFWVUNA-INIZCTEOSA-N 0 0 277.364 3.139 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC1(F)F ZINC000296182228 373046718 /nfs/dbraw/zinc/04/67/18/373046718.db2.gz VIKHDJHKPOMIIG-GFCCVEGCSA-N 0 0 283.318 3.176 20 10 CGCDRN C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1nccs1 ZINC000296261398 373072443 /nfs/dbraw/zinc/07/24/43/373072443.db2.gz BRLRXECLDVWWFE-ZYHUDNBSSA-N 0 0 274.389 3.229 20 10 CGCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC000297247525 373262911 /nfs/dbraw/zinc/26/29/11/373262911.db2.gz QIYLQFYQKBIMGR-SFHVURJKSA-N 0 0 296.414 3.400 20 10 CGCDRN COc1ccccc1[C@@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297268112 373264031 /nfs/dbraw/zinc/26/40/31/373264031.db2.gz SFQXNBNMGWCBOJ-ZDUSSCGKSA-N 0 0 298.386 3.087 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)CSc1nccs1 ZINC000298775563 373405449 /nfs/dbraw/zinc/40/54/49/373405449.db2.gz KSSCEFWNWJQPFE-SNVBAGLBSA-N 0 0 272.439 3.320 20 10 CGCDRN C[C@H](NC(=O)CSc1nccs1)c1cccs1 ZINC000298687268 373382604 /nfs/dbraw/zinc/38/26/04/373382604.db2.gz BRGSYAIREWXLHC-QMMMGPOBSA-N 0 0 284.431 3.174 20 10 CGCDRN CCCc1ncc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000175503863 373476646 /nfs/dbraw/zinc/47/66/46/373476646.db2.gz QXWGCGAATZBMTD-UHFFFAOYSA-N 0 0 290.388 3.073 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CCC2CCC2)cc1F ZINC000176268137 373574391 /nfs/dbraw/zinc/57/43/91/373574391.db2.gz JJFFVACPXMVXOZ-UHFFFAOYSA-N 0 0 278.371 3.088 20 10 CGCDRN Fc1ccc2c(C3=CCN(c4cnccn4)CC3)c[nH]c2c1 ZINC000301088035 373654766 /nfs/dbraw/zinc/65/47/66/373654766.db2.gz MEKJYQNGOBSPCE-UHFFFAOYSA-N 0 0 294.333 3.391 20 10 CGCDRN CN(Cc1ccccc1O)c1cncc(Br)c1 ZINC000302590762 373900049 /nfs/dbraw/zinc/90/00/49/373900049.db2.gz ACJWCTHJBOEKTO-UHFFFAOYSA-N 0 0 293.164 3.186 20 10 CGCDRN CC(C)Cc1nsc(N(C)Cc2ccccc2O)n1 ZINC000302438435 373869554 /nfs/dbraw/zinc/86/95/54/373869554.db2.gz QXUZTOMEXYBQRW-UHFFFAOYSA-N 0 0 277.393 3.079 20 10 CGCDRN Clc1cncnc1NCCCSc1nccs1 ZINC000302691293 373930597 /nfs/dbraw/zinc/93/05/97/373930597.db2.gz ZNOUWOGUJKCJDN-UHFFFAOYSA-N 0 0 286.813 3.181 20 10 CGCDRN CSC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180535038 374018698 /nfs/dbraw/zinc/01/86/98/374018698.db2.gz NXWJSNRAMUQWKO-NSHDSACASA-N 0 0 271.813 3.373 20 10 CGCDRN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC000180697780 374038194 /nfs/dbraw/zinc/03/81/94/374038194.db2.gz FBNVSKWIJVZTSL-KGLIPLIRSA-N 0 0 294.826 3.104 20 10 CGCDRN CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182520374 374285523 /nfs/dbraw/zinc/28/55/23/374285523.db2.gz AAOQZLLJFCFVTR-AWEZNQCLSA-N 0 0 291.391 3.321 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]1C(C)C ZINC000472228597 375011680 /nfs/dbraw/zinc/01/16/80/375011680.db2.gz FOHDCZYPHBUKJI-OAHLLOKOSA-N 0 0 299.418 3.427 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2C=CCCC2)cc1 ZINC000187521020 375033916 /nfs/dbraw/zinc/03/39/16/375033916.db2.gz VQNXALOSVZTSSL-HNNXBMFYSA-N 0 0 286.419 3.457 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000187729790 375083912 /nfs/dbraw/zinc/08/39/12/375083912.db2.gz AJTMWOVNQUFZNF-UFBFGSQYSA-N 0 0 299.342 3.116 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000191182105 375591116 /nfs/dbraw/zinc/59/11/16/375591116.db2.gz NCMUZADMLSWBJC-VHSXEESVSA-N 0 0 278.302 3.477 20 10 CGCDRN C[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192882601 375797224 /nfs/dbraw/zinc/79/72/24/375797224.db2.gz ZQYUZVUYSMFOPF-YUMQZZPRSA-N 0 0 278.179 3.121 20 10 CGCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(O)c1O ZINC000193095190 375825643 /nfs/dbraw/zinc/82/56/43/375825643.db2.gz UCOBNDMWVYCGDX-CQSZACIVSA-N 0 0 299.370 3.191 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc(Cl)cn2)c1 ZINC000254984867 377720225 /nfs/dbraw/zinc/72/02/25/377720225.db2.gz KNJOESWLAINPFQ-UTCJRWHESA-N 0 0 287.750 3.115 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000255469496 377760105 /nfs/dbraw/zinc/76/01/05/377760105.db2.gz BLNXIMNWQAQSTR-YXVBKTCISA-N 0 0 264.328 3.245 20 10 CGCDRN CO[C@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000263827358 377952587 /nfs/dbraw/zinc/95/25/87/377952587.db2.gz TUHWRWFJXPSLKX-MRVPVSSYSA-N 0 0 278.179 3.214 20 10 CGCDRN COc1ccc(N(C)Cc2cnccc2C)cc1F ZINC000269597633 378241453 /nfs/dbraw/zinc/24/14/53/378241453.db2.gz JYWCQYNKAXZSSE-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)c1 ZINC000273383255 378744284 /nfs/dbraw/zinc/74/42/84/378744284.db2.gz CIHFLBKRHVHPCH-RDBSUJKOSA-N 0 0 293.407 3.257 20 10 CGCDRN C[C@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000273426470 378745566 /nfs/dbraw/zinc/74/55/66/378745566.db2.gz RZDUYXCMTKYWCR-LLVKDONJSA-N 0 0 260.312 3.119 20 10 CGCDRN C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000273454399 378747595 /nfs/dbraw/zinc/74/75/95/378747595.db2.gz ZOGXMBVHMSOAGK-LLVKDONJSA-N 0 0 260.312 3.119 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cnn(CC(C)C)c2)c1 ZINC000273452896 378747644 /nfs/dbraw/zinc/74/76/44/378747644.db2.gz GNGSJWAYFFCEFO-LBPRGKRZSA-N 0 0 289.379 3.426 20 10 CGCDRN C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000277076601 379060421 /nfs/dbraw/zinc/06/04/21/379060421.db2.gz JEKVNDMCZBIMNN-UWVGGRQHSA-N 0 0 260.303 3.354 20 10 CGCDRN CCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC000731870298 572430583 /nfs/dbraw/zinc/43/05/83/572430583.db2.gz LFDNYHVUXXFPDM-UHFFFAOYSA-N 0 0 281.308 3.244 20 10 CGCDRN Cc1coc(C)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000283299222 380052518 /nfs/dbraw/zinc/05/25/18/380052518.db2.gz GHLHLCIYLBQANX-UHFFFAOYSA-N 0 0 290.338 3.032 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000285239263 380145554 /nfs/dbraw/zinc/14/55/54/380145554.db2.gz SJICDYLHJVFGAZ-UHFFFAOYSA-N 0 0 295.810 3.438 20 10 CGCDRN COCCc1ccnc(NCc2c(O)cccc2Cl)c1 ZINC000285180434 380145979 /nfs/dbraw/zinc/14/59/79/380145979.db2.gz MXATWRYAKLVENM-UHFFFAOYSA-N 0 0 292.766 3.242 20 10 CGCDRN CCOCCCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000285528454 380151166 /nfs/dbraw/zinc/15/11/66/380151166.db2.gz FIHQKULCQNZORL-CQSZACIVSA-N 0 0 269.360 3.389 20 10 CGCDRN CC[C@@H]([NH2+]Cc1nccs1)c1ccc(F)cc1[O-] ZINC000285982858 380154749 /nfs/dbraw/zinc/15/47/49/380154749.db2.gz HTCBWRVQOACLFG-LLVKDONJSA-N 0 0 266.341 3.229 20 10 CGCDRN COc1cccc(CNc2ccc(C)cc2[N+](=O)[O-])c1O ZINC000037059811 391980822 /nfs/dbraw/zinc/98/08/22/391980822.db2.gz MOFWWFVXUGKVJS-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN CC1(C)SC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000282949699 392298401 /nfs/dbraw/zinc/29/84/01/392298401.db2.gz HBSNKOLGVGBFBT-SNVBAGLBSA-N 0 0 257.786 3.029 20 10 CGCDRN CC(C)SCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287041540 392391991 /nfs/dbraw/zinc/39/19/91/392391991.db2.gz MJRRWWZPRHHBLW-SNVBAGLBSA-N 0 0 284.381 3.093 20 10 CGCDRN CC[C@@H]([NH2+]CCC(C)(C)O)c1cccc(Cl)c1[O-] ZINC000287601264 392400753 /nfs/dbraw/zinc/40/07/53/392400753.db2.gz IOWFSNQDSZFREN-GFCCVEGCSA-N 0 0 271.788 3.247 20 10 CGCDRN CCc1cc(N[C@@H](C)c2cc(OC)ccc2O)nc(C)n1 ZINC000302030878 392607630 /nfs/dbraw/zinc/60/76/30/392607630.db2.gz BYORZRKNJKYSOP-JTQLQIEISA-N 0 0 287.363 3.235 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC000178562709 392682667 /nfs/dbraw/zinc/68/26/67/392682667.db2.gz CNSNZIXYYSYTKD-UHFFFAOYSA-N 0 0 296.370 3.239 20 10 CGCDRN Cn1cc(CCSc2ncc(-c3ccccc3)n2C)cn1 ZINC000172492467 392620017 /nfs/dbraw/zinc/62/00/17/392620017.db2.gz LWIIODRNEKXPFO-UHFFFAOYSA-N 0 0 298.415 3.155 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c(O)c1O ZINC000179462288 392702532 /nfs/dbraw/zinc/70/25/32/392702532.db2.gz IYSNPPXHIGQWLX-CQSZACIVSA-N 0 0 297.354 3.036 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227521972 393016121 /nfs/dbraw/zinc/01/61/21/393016121.db2.gz LWTCBOSOKURIBT-GFCCVEGCSA-N 0 0 269.772 3.094 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2c(F)cccc2F)cn1 ZINC000492509027 393747246 /nfs/dbraw/zinc/74/72/46/393747246.db2.gz UUECXWQOHIOEGU-CMDGGOBGSA-N 0 0 288.297 3.344 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1nnc(C)s1 ZINC000271543685 286389098 /nfs/dbraw/zinc/38/90/98/286389098.db2.gz KJEIZGJWUWTVIV-UHFFFAOYSA-N 0 0 289.404 3.198 20 10 CGCDRN COc1cccc(CNc2ccc(C)cc2F)c1O ZINC000020371947 171168468 /nfs/dbraw/zinc/16/84/68/171168468.db2.gz SCWMRZOXSBUYCP-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(F)cc2)cc1 ZINC000037976540 173932024 /nfs/dbraw/zinc/93/20/24/173932024.db2.gz FOCSXCSWTDVNJH-UHFFFAOYSA-N 0 0 286.350 3.164 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC(C)(F)F ZINC000348637928 226504066 /nfs/dbraw/zinc/50/40/66/226504066.db2.gz XPNWVNSMGCRUSD-UHFFFAOYSA-N 0 0 280.318 3.148 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(O)c1 ZINC000352122950 228185536 /nfs/dbraw/zinc/18/55/36/228185536.db2.gz VBYVBBYYYFXTRJ-UHFFFAOYSA-N 0 0 294.354 3.122 20 10 CGCDRN CC(C)(CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000159136437 261179744 /nfs/dbraw/zinc/17/97/44/261179744.db2.gz IAMISMWBPVZINB-UHFFFAOYSA-N 0 0 299.370 3.082 20 10 CGCDRN CC(C)(C)NC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164137572 261341798 /nfs/dbraw/zinc/34/17/98/261341798.db2.gz FYKCJJJVSGSAMP-UHFFFAOYSA-N 0 0 286.466 3.447 20 10 CGCDRN CC[C@@]1(C)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181137473 261886964 /nfs/dbraw/zinc/88/69/64/261886964.db2.gz VHEFBZOFFRUDQQ-JKNJVXJCSA-N 0 0 289.375 3.150 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCCCCC1 ZINC000183420785 261974129 /nfs/dbraw/zinc/97/41/29/261974129.db2.gz ROUYQCQWNYCLCV-LBPRGKRZSA-N 0 0 291.391 3.115 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(F)cc1[O-] ZINC000185121581 262042996 /nfs/dbraw/zinc/04/29/96/262042996.db2.gz BNIXNPSBPLJQRG-JTQLQIEISA-N 0 0 293.313 3.014 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1[O-] ZINC000185772236 262069770 /nfs/dbraw/zinc/06/97/70/262069770.db2.gz NZNVAKHPMVPCHW-HPAJIGNASA-N 0 0 279.355 3.140 20 10 CGCDRN CC(C)C[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186386706 262091246 /nfs/dbraw/zinc/09/12/46/262091246.db2.gz ZKJBAHQAVKPQEJ-CHWSQXEVSA-N 0 0 293.407 3.217 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1C ZINC000269258383 262967538 /nfs/dbraw/zinc/96/75/38/262967538.db2.gz YHIXEGPQNUMUPB-AWEZNQCLSA-N 0 0 282.387 3.306 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272580177 263007204 /nfs/dbraw/zinc/00/72/04/263007204.db2.gz DYHLTFXZMUXDRY-OWVOXGNYSA-N 0 0 277.364 3.052 20 10 CGCDRN C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000289756048 263111762 /nfs/dbraw/zinc/11/17/62/263111762.db2.gz QWBQZHVEABDHLM-TZMCWYRMSA-N 0 0 281.371 3.047 20 10 CGCDRN CSCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298315791 263218063 /nfs/dbraw/zinc/21/80/63/263218063.db2.gz DQTVARNKFOUPQX-UHFFFAOYSA-N 0 0 294.464 3.243 20 10 CGCDRN O=S(=O)(Nc1ccc(O)c(Cl)c1)C1=CCCCC1 ZINC000294278606 265009043 /nfs/dbraw/zinc/00/90/43/265009043.db2.gz SLQKWBIHYSQJAU-UHFFFAOYSA-N 0 0 287.768 3.245 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCCC1 ZINC000349124882 265167387 /nfs/dbraw/zinc/16/73/87/265167387.db2.gz ITVQRLHBAWKJED-UHFFFAOYSA-N 0 0 285.391 3.229 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000296249103 287714333 /nfs/dbraw/zinc/71/43/33/287714333.db2.gz CUPQYFCMWLYQSC-RWSFTLGLSA-N 0 0 296.367 3.012 20 10 CGCDRN CC[C@H]([NH2+]CCOCC(F)F)c1cccc(Cl)c1[O-] ZINC000287687836 288042223 /nfs/dbraw/zinc/04/22/23/288042223.db2.gz MZRYMSHOAOXXGJ-NSHDSACASA-N 0 0 293.741 3.368 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cccc(Cl)c1[O-] ZINC000287748711 288064289 /nfs/dbraw/zinc/06/42/89/288064289.db2.gz QBUYBHROKGAOLE-WDMOLILDSA-N 0 0 281.783 3.023 20 10 CGCDRN CC[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287800954 280188007 /nfs/dbraw/zinc/18/80/07/280188007.db2.gz UCQPLJKIFMKRKE-CQSZACIVSA-N 0 0 293.798 3.063 20 10 CGCDRN CO[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000188104322 294280040 /nfs/dbraw/zinc/28/00/40/294280040.db2.gz DLPQNLNUNNWQQZ-HTQZYQBOSA-N 0 0 278.179 3.385 20 10 CGCDRN Cc1nccn1-c1ccc(NCc2cc(C)ccc2O)cn1 ZINC000372578820 327684287 /nfs/dbraw/zinc/68/42/87/327684287.db2.gz PIDPGIAMWXXROD-UHFFFAOYSA-N 0 0 294.358 3.202 20 10 CGCDRN CC(C)(C)c1nc(C(=O)Nc2ccc(N)cc2)cs1 ZINC000269119991 328189841 /nfs/dbraw/zinc/18/98/41/328189841.db2.gz JAUUVHPLQORBND-UHFFFAOYSA-N 0 0 275.377 3.275 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H]2CCO[C@@H]21 ZINC000293754462 328277546 /nfs/dbraw/zinc/27/75/46/328277546.db2.gz YLRRDJNUUHWMHT-FZZIBODNSA-N 0 0 299.773 3.088 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccc(F)cc2O1 ZINC000255378477 326968172 /nfs/dbraw/zinc/96/81/72/326968172.db2.gz FWDBZCBRFKZDGF-DJFZKKHWSA-N 0 0 298.317 3.048 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC1(C)C ZINC000558037137 327047313 /nfs/dbraw/zinc/04/73/13/327047313.db2.gz SLHXDOBDPUKGEL-MRXNPFEDSA-N 0 0 299.418 3.475 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC000261856267 327457103 /nfs/dbraw/zinc/45/71/03/327457103.db2.gz FEKUAFXUXSXAFD-GOSISDBHSA-N 0 0 294.398 3.048 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCC(=O)NC(C)(C)C)cc12 ZINC000421185826 329806755 /nfs/dbraw/zinc/80/67/55/329806755.db2.gz DFSUTRSTFVRYFU-UHFFFAOYSA-N 0 0 288.391 3.089 20 10 CGCDRN CC[C@H](COC)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000079751335 330336516 /nfs/dbraw/zinc/33/65/16/330336516.db2.gz CWVSVDPOQWQBCX-SNVBAGLBSA-N 0 0 278.179 3.214 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[C@H]1C ZINC000458730480 331258164 /nfs/dbraw/zinc/25/81/64/331258164.db2.gz GADMLTNCXRJIDN-DGCLKSJQSA-N 0 0 285.391 3.037 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N2CCc3cccc(F)c32)s1 ZINC000492197749 332386779 /nfs/dbraw/zinc/38/67/79/332386779.db2.gz HXXWSXGUYHDRDS-WAYWQWQTSA-N 0 0 288.347 3.193 20 10 CGCDRN CCC(CC)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000132481727 333981234 /nfs/dbraw/zinc/98/12/34/333981234.db2.gz NBEBVOYSMXBVSB-UHFFFAOYSA-N 0 0 290.407 3.304 20 10 CGCDRN CCc1nsc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302340624 500755792 /nfs/dbraw/zinc/75/57/92/500755792.db2.gz BQQTVEOCVZXUCX-SNVBAGLBSA-N 0 0 276.409 3.340 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(C)n1 ZINC000248140283 521321094 /nfs/dbraw/zinc/32/10/94/521321094.db2.gz TUBVEGUGGFZAKW-UHFFFAOYSA-N 0 0 297.402 3.118 20 10 CGCDRN CCCN(CC)c1ccc(C(=O)Nc2ccc(N)cc2)cn1 ZINC000236966815 521617890 /nfs/dbraw/zinc/61/78/90/521617890.db2.gz BTRJGDPNRZSLQS-UHFFFAOYSA-N 0 0 298.390 3.152 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC1(C)C ZINC000264498222 521688652 /nfs/dbraw/zinc/68/86/52/521688652.db2.gz GMEGYCVCPJYKJY-CQSZACIVSA-N 0 0 276.380 3.112 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000282434193 523381916 /nfs/dbraw/zinc/38/19/16/523381916.db2.gz JDYFXLJNVXDOSJ-LLVKDONJSA-N 0 0 283.318 3.176 20 10 CGCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000237447134 524370623 /nfs/dbraw/zinc/37/06/23/524370623.db2.gz LVOMVDYLWKRKOZ-AWEZNQCLSA-N 0 0 282.387 3.121 20 10 CGCDRN C[C@@H]1CC[C@@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000131448854 524579951 /nfs/dbraw/zinc/57/99/51/524579951.db2.gz HVZUUICHILXSGT-CHWSQXEVSA-N 0 0 261.365 3.177 20 10 CGCDRN C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000277732800 524732236 /nfs/dbraw/zinc/73/22/36/524732236.db2.gz JTXXUAYMJZVRJZ-QPUJVOFHSA-N 0 0 290.190 3.214 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062746793 524747363 /nfs/dbraw/zinc/74/73/63/524747363.db2.gz KQSRSPLLAXPHIK-GHMZBOCLSA-N 0 0 263.312 3.406 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(F)c(F)c1[O-] ZINC000276854668 525463360 /nfs/dbraw/zinc/46/33/60/525463360.db2.gz BQBKWPXYXSBNNP-SNVBAGLBSA-N 0 0 293.313 3.269 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000062745015 525531181 /nfs/dbraw/zinc/53/11/81/525531181.db2.gz UQYZZNRRWYGFAP-SNVBAGLBSA-N 0 0 289.306 3.111 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)NCc1cccs1 ZINC000052914166 526006767 /nfs/dbraw/zinc/00/67/67/526006767.db2.gz DTJKNAMAAZKQSD-MRVPVSSYSA-N 0 0 284.431 3.002 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCC(C)(F)F)c1 ZINC000728981537 571852373 /nfs/dbraw/zinc/85/23/73/571852373.db2.gz CHVIWFAZFDDNKG-SECBINFHSA-N 0 0 287.306 3.013 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=S)NC(C)C)cc1 ZINC000730596082 572364964 /nfs/dbraw/zinc/36/49/64/572364964.db2.gz JCWDFYXFDHMXEW-UHFFFAOYSA-N 0 0 293.480 3.248 20 10 CGCDRN Cc1ccc([C@H](C)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000738545318 572378584 /nfs/dbraw/zinc/37/85/84/572378584.db2.gz BZDAFBALIJICGM-LLVKDONJSA-N 0 0 275.373 3.296 20 10 CGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H]1c1ccccc1 ZINC000743778886 572405067 /nfs/dbraw/zinc/40/50/67/572405067.db2.gz QFZQSLAWFPYCAO-YGRLFVJLSA-N 0 0 273.357 3.287 20 10 CGCDRN CCc1nc2cc(NC(=O)C3=CC(=O)CS3)ccc2o1 ZINC000731871178 572430871 /nfs/dbraw/zinc/43/08/71/572430871.db2.gz ZEMPACFUIQXCTH-UHFFFAOYSA-N 0 0 288.328 3.410 20 10 CGCDRN O=C(Nc1nc2c(s1)CCCCC2)C1=CC(=O)CS1 ZINC000731866439 572433281 /nfs/dbraw/zinc/43/32/81/572433281.db2.gz IIMDXNNPWRIKGR-UHFFFAOYSA-N 0 0 294.401 3.431 20 10 CGCDRN CC(C)c1cc(N(C)Cc2ccc(N(C)C)cc2)ncn1 ZINC000731918247 572436670 /nfs/dbraw/zinc/43/66/70/572436670.db2.gz HIDIZHZCZNIOID-UHFFFAOYSA-N 0 0 284.407 3.302 20 10 CGCDRN CC(C)Oc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732268027 572456052 /nfs/dbraw/zinc/45/60/52/572456052.db2.gz CNPZQPWXOFMSSN-UHFFFAOYSA-N 0 0 291.372 3.171 20 10 CGCDRN CCn1ncc2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC000732279137 572458215 /nfs/dbraw/zinc/45/82/15/572458215.db2.gz YOXAPDAITPUQPN-UHFFFAOYSA-N 0 0 287.344 3.076 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000732287969 572459133 /nfs/dbraw/zinc/45/91/33/572459133.db2.gz KFJVTZOFJNJDQW-LLVKDONJSA-N 0 0 291.347 3.223 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCc2sccc2C1 ZINC000732289930 572459261 /nfs/dbraw/zinc/45/92/61/572459261.db2.gz MDEQUUCISKXSJN-UHFFFAOYSA-N 0 0 279.386 3.104 20 10 CGCDRN Cc1cc(C)cc(OCCOC(=O)C2=CC(=O)CS2)c1 ZINC000732353454 572461128 /nfs/dbraw/zinc/46/11/28/572461128.db2.gz PNVQAIWQDQJXGA-UHFFFAOYSA-N 0 0 292.356 3.306 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000733363620 572559320 /nfs/dbraw/zinc/55/93/20/572559320.db2.gz AGAXQQYCOZORGR-FXPVBKGRSA-N 0 0 253.367 3.008 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(C(F)F)cc1 ZINC000726622724 572589127 /nfs/dbraw/zinc/58/91/27/572589127.db2.gz PEKAIWQOGUFADJ-UHFFFAOYSA-N 0 0 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ZINC000897788644 620431249 /nfs/dbraw/zinc/43/12/49/620431249.db2.gz HWAMCKDTWRPLRO-JTQLQIEISA-N 0 0 287.375 3.434 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc([C@@H](C)CC(N)=O)cc1 ZINC000897838300 620437769 /nfs/dbraw/zinc/43/77/69/620437769.db2.gz LNCBWLOCLGPKSE-ZDUSSCGKSA-N 0 0 298.386 3.292 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897952883 620453725 /nfs/dbraw/zinc/45/37/25/620453725.db2.gz KTSCJMULTUGNLD-IRUJWGPZSA-N 0 0 296.208 3.433 20 10 CGCDRN CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000898215830 620489063 /nfs/dbraw/zinc/48/90/63/620489063.db2.gz RRGBEWYIUMOOCT-UHFFFAOYSA-N 0 0 281.739 3.327 20 10 CGCDRN CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000927026268 620564298 /nfs/dbraw/zinc/56/42/98/620564298.db2.gz ZZYLFLQIIOVEPD-JQWIXIFHSA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1cc(O)c(CNc2cnc(C3CC3)nc2)cc1C ZINC000902090785 621143088 /nfs/dbraw/zinc/14/30/88/621143088.db2.gz SAUUUOMXDSNJJF-UHFFFAOYSA-N 0 0 269.348 3.289 20 10 CGCDRN Cc1ccc(O)c(CNc2noc3c2CCCC3)c1 ZINC000902278104 621240722 /nfs/dbraw/zinc/24/07/22/621240722.db2.gz OHOOMFNJKJGEJF-UHFFFAOYSA-N 0 0 258.321 3.180 20 10 CGCDRN CC[C@@H]([NH2+]CCCON)c1ccc(Cl)c(Cl)c1[O-] ZINC000902425941 621313737 /nfs/dbraw/zinc/31/37/37/621313737.db2.gz QCOCTYXZGMZDLD-SNVBAGLBSA-N 0 0 293.194 3.020 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cncs1 ZINC000903311371 621683375 /nfs/dbraw/zinc/68/33/75/621683375.db2.gz OUMDDVLIZDHPII-RKDXNWHRSA-N 0 0 266.341 3.400 20 10 CGCDRN Cc1ccc(F)c(NCc2cc3c(cc2O)OCO3)c1 ZINC000042879630 621888681 /nfs/dbraw/zinc/88/86/81/621888681.db2.gz OXKCWHUANZVCNX-UHFFFAOYSA-N 0 0 275.279 3.181 20 10 CGCDRN Oc1c(F)cc(F)cc1CNc1nnc(C2CC2)s1 ZINC000905405915 622067725 /nfs/dbraw/zinc/06/77/25/622067725.db2.gz HROSXEIHNZNJMU-UHFFFAOYSA-N 0 0 283.303 3.011 20 10 CGCDRN Cc1ccnc(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000755427314 625551724 /nfs/dbraw/zinc/55/17/24/625551724.db2.gz AUZRUTJURQWAMI-UHFFFAOYSA-N 0 0 296.399 3.478 20 10 CGCDRN C[C@@H]([NH2+]C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000134901558 625554171 /nfs/dbraw/zinc/55/41/71/625554171.db2.gz FKNUALOJVUFRFG-ZCFIWIBFSA-N 0 0 274.133 3.107 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC=CC12CCCCC2 ZINC000912473658 622662453 /nfs/dbraw/zinc/66/24/53/622662453.db2.gz IOGYJEJMTYICLP-SOFGYWHQSA-N 0 0 299.370 3.212 20 10 CGCDRN CCOc1cccc(NCc2cc(C)ccc2O)n1 ZINC000151002103 622716103 /nfs/dbraw/zinc/71/61/03/622716103.db2.gz SQOGMPNXHDIETH-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN COC(=O)c1ccc(/C=C\c2ccc(N(C)C)cc2)nc1 ZINC000222796221 622845717 /nfs/dbraw/zinc/84/57/17/622845717.db2.gz ZWMAGZWEJAFYMU-YWEYNIOJSA-N 0 0 282.343 3.105 20 10 CGCDRN Oc1ccc(Br)cc1CNc1ccc(F)nc1 ZINC000226550363 622981496 /nfs/dbraw/zinc/98/14/96/622981496.db2.gz LNDQDZDYYKDVCM-UHFFFAOYSA-N 0 0 297.127 3.301 20 10 CGCDRN CCc1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229596028 623146568 /nfs/dbraw/zinc/14/65/68/623146568.db2.gz RFQKOXXERUCXON-GFCCVEGCSA-N 0 0 273.380 3.154 20 10 CGCDRN Cc1cc(CNC(=O)C2CC2)c(C)n1-c1ccccc1 ZINC000062577225 623248079 /nfs/dbraw/zinc/24/80/79/623248079.db2.gz LBMLXJIFVWBBOY-UHFFFAOYSA-N 0 0 268.360 3.120 20 10 CGCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000063321510 623316818 /nfs/dbraw/zinc/31/68/18/623316818.db2.gz NFKSRSNEEBWCQZ-CQSZACIVSA-N 0 0 289.423 3.084 20 10 CGCDRN c1cc(N2CCCCC2)ccc1CNc1cncnc1 ZINC000232087273 623360566 /nfs/dbraw/zinc/36/05/66/623360566.db2.gz NCASVGIKFHQTKF-UHFFFAOYSA-N 0 0 268.364 3.079 20 10 CGCDRN CN(C)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000083440152 623374734 /nfs/dbraw/zinc/37/47/34/623374734.db2.gz RKLGJLKJQKDXCA-UHFFFAOYSA-N 0 0 260.312 3.209 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCCC1 ZINC000174490587 623397967 /nfs/dbraw/zinc/39/79/67/623397967.db2.gz GJRLKKMLXHMKHK-UHFFFAOYSA-N 0 0 288.391 3.013 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C2CCC(C)(C)CC2)c1 ZINC000151732881 623564156 /nfs/dbraw/zinc/56/41/56/623564156.db2.gz GHBMRBWYFQMBPO-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN CC(C)(Nc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726147 623570092 /nfs/dbraw/zinc/57/00/92/623570092.db2.gz IZNWFKFEUVTTSG-UHFFFAOYSA-N 0 0 296.370 3.125 20 10 CGCDRN C[C@H](NC(=O)C(C)(C)c1nccs1)c1ccccc1O ZINC000913763868 623576413 /nfs/dbraw/zinc/57/64/13/623576413.db2.gz UEDOYUKPIGAUIL-JTQLQIEISA-N 0 0 290.388 3.004 20 10 CGCDRN c1csc(Cc2nc(Sc3nccs3)n[nH]2)c1 ZINC000914862379 623869668 /nfs/dbraw/zinc/86/96/68/623869668.db2.gz FHLHIVGCXRKMDN-UHFFFAOYSA-N 0 0 280.403 3.065 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)O[C@H]3CCOC3)cc12 ZINC000916458418 624161337 /nfs/dbraw/zinc/16/13/37/624161337.db2.gz ZKJDAVZYJTUNKY-ZDUSSCGKSA-N 0 0 289.331 3.099 20 10 CGCDRN Cc1cccc(CNC(=S)Nc2ccc(F)cc2)n1 ZINC000917586362 624297314 /nfs/dbraw/zinc/29/73/14/624297314.db2.gz BJYIEYOSUVJOQK-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN Fc1ccc(NC(=S)NNc2cccc(F)c2)cc1 ZINC000920079693 624443997 /nfs/dbraw/zinc/44/39/97/624443997.db2.gz QHRFGWVQAGHRCH-UHFFFAOYSA-N 0 0 279.315 3.278 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC000175406754 624634989 /nfs/dbraw/zinc/63/49/89/624634989.db2.gz ORESYMYCIZYMQU-UHFFFAOYSA-N 0 0 299.370 3.411 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1cccc(F)c1 ZINC000175503264 624642068 /nfs/dbraw/zinc/64/20/68/624642068.db2.gz QTCCZIJUSHYSQA-GFCCVEGCSA-N 0 0 287.334 3.293 20 10 CGCDRN CC[C@H](Nc1cnn(C)c1C)c1ccc(N(C)C)cc1 ZINC000179868786 624691389 /nfs/dbraw/zinc/69/13/89/624691389.db2.gz XJMUTCRENCIUFJ-HNNXBMFYSA-N 0 0 272.396 3.358 20 10 CGCDRN CCc1ccccc1NC(=S)NCc1cc(C)ccn1 ZINC000240745257 624879796 /nfs/dbraw/zinc/87/97/96/624879796.db2.gz ARIUXPOQKWMHHM-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN Cc1c2ccccc2oc1C(=O)NCc1ccc(O)c(O)c1 ZINC000182549116 625010507 /nfs/dbraw/zinc/01/05/07/625010507.db2.gz RLGDXQWGAFITOR-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN C[C@H](Nc1cnn(Cc2ccccn2)c1)c1ccccc1O ZINC000183672825 625104214 /nfs/dbraw/zinc/10/42/14/625104214.db2.gz AJMFWPXIJXSYSJ-ZDUSSCGKSA-N 0 0 294.358 3.205 20 10 CGCDRN C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(F)cc1[O-] ZINC000183949058 625179703 /nfs/dbraw/zinc/17/97/03/625179703.db2.gz CXDROQKVWNFTGH-CYBMUJFWSA-N 0 0 294.414 3.304 20 10 CGCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000184626314 625254817 /nfs/dbraw/zinc/25/48/17/625254817.db2.gz FOJHDKUFIGRJID-HIFRSBDPSA-N 0 0 274.408 3.195 20 10 CGCDRN Cc1c(N[C@H](C)c2cc3c(cc2O)CCCC3)cnn1C ZINC000186369169 625797047 /nfs/dbraw/zinc/79/70/47/625797047.db2.gz KPDOWHFWTNJBPO-LLVKDONJSA-N 0 0 285.391 3.486 20 10 CGCDRN Oc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921648437 625804395 /nfs/dbraw/zinc/80/43/95/625804395.db2.gz AKQIDDOQHZZJGM-UHFFFAOYSA-N 0 0 269.344 3.007 20 10 CGCDRN Cc1nnc([C@H](C)NCc2ccc3c(c2)CCCO3)s1 ZINC000921996953 625955707 /nfs/dbraw/zinc/95/57/07/625955707.db2.gz LXZAMFZDMBHCRD-JTQLQIEISA-N 0 0 289.404 3.022 20 10 CGCDRN COc1cccc(O)c1CNCc1c(F)cc(C)cc1F ZINC000922947103 626104786 /nfs/dbraw/zinc/10/47/86/626104786.db2.gz QAZPMKODZFBNTO-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788592403 626183929 /nfs/dbraw/zinc/18/39/29/626183929.db2.gz BXOGDQVZHBNISQ-TVQRCGJNSA-N 0 0 291.313 3.223 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000838953463 626282302 /nfs/dbraw/zinc/28/23/02/626282302.db2.gz YGXGPXOHDVVAMT-UHFFFAOYSA-N 0 0 295.430 3.235 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnccn1 ZINC000839011932 626298243 /nfs/dbraw/zinc/29/82/43/626298243.db2.gz SOLWANXVKKMXCG-UHFFFAOYSA-N 0 0 291.301 3.031 20 10 CGCDRN COCCC1(C)C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839143596 626323518 /nfs/dbraw/zinc/32/35/18/626323518.db2.gz QQXUKCOEFQNDSF-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806139079 626362637 /nfs/dbraw/zinc/36/26/37/626362637.db2.gz IFOJXJSCBCFQOX-ZFWWWQNUSA-N 0 0 285.815 3.493 20 10 CGCDRN CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(Cl)c1[O-] ZINC000806139745 626367753 /nfs/dbraw/zinc/36/77/53/626367753.db2.gz RGAYFZKXHFXBBN-DZGCQCFKSA-N 0 0 283.799 3.247 20 10 CGCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)c(O)c1O ZINC000751538253 626395278 /nfs/dbraw/zinc/39/52/78/626395278.db2.gz NNHMEKJAZKXNMT-IAQYHMDHSA-N 0 0 297.354 3.070 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)/C=C\SC)cc1 ZINC000751567253 626396683 /nfs/dbraw/zinc/39/66/83/626396683.db2.gz OIZXQEFXTYKSSP-KHPPLWFESA-N 0 0 278.421 3.026 20 10 CGCDRN COc1cccc(CN(C)c2ccc(OC)cc2OC)c1 ZINC000752108581 626419058 /nfs/dbraw/zinc/41/90/58/626419058.db2.gz BNMPIZCTKYYLDF-UHFFFAOYSA-N 0 0 287.359 3.349 20 10 CGCDRN CC(C)(CNC(=O)NCc1ccccc1O)C1CCCC1 ZINC000753100054 626445294 /nfs/dbraw/zinc/44/52/94/626445294.db2.gz MMZNHKUKFNNTHI-UHFFFAOYSA-N 0 0 290.407 3.408 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1cccc(OC)c1 ZINC000754088922 626475138 /nfs/dbraw/zinc/47/51/38/626475138.db2.gz WKBUTOJUUXSZLP-KHPPLWFESA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ncsc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124798962 634506820 /nfs/dbraw/zinc/50/68/20/634506820.db2.gz JXKQTXIJNMZXTI-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(OC)nc1 ZINC000754643451 626580220 /nfs/dbraw/zinc/58/02/20/626580220.db2.gz YJHZNEDLDNBHIQ-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC000874068334 634512863 /nfs/dbraw/zinc/51/28/63/634512863.db2.gz JNEQDIXDOHZSNQ-UHFFFAOYSA-N 0 0 288.351 3.254 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756344204 626694089 /nfs/dbraw/zinc/69/40/89/626694089.db2.gz SEHNZCSTVSNIQN-UWVGGRQHSA-N 0 0 278.302 3.477 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756378537 626698806 /nfs/dbraw/zinc/69/88/06/626698806.db2.gz GJHPENPVLHISRT-GHMZBOCLSA-N 0 0 290.319 3.175 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000756415173 626704037 /nfs/dbraw/zinc/70/40/37/626704037.db2.gz AXETUMLIJYYLBH-JTQLQIEISA-N 0 0 278.302 3.225 20 10 CGCDRN CSC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756629233 626721959 /nfs/dbraw/zinc/72/19/59/626721959.db2.gz ZYSKJJLYWOVIAC-QMMMGPOBSA-N 0 0 275.364 3.463 20 10 CGCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756628920 626722004 /nfs/dbraw/zinc/72/20/04/626722004.db2.gz YTOAZRHMQTZTES-HOSYDEDBSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000756759388 626729266 /nfs/dbraw/zinc/72/92/66/626729266.db2.gz JPRXCFASMJOXRV-QMMMGPOBSA-N 0 0 292.206 3.368 20 10 CGCDRN CCn1cc(N[C@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756855042 626738044 /nfs/dbraw/zinc/73/80/44/626738044.db2.gz KNZJOQVZFIMRPH-MRVPVSSYSA-N 0 0 267.279 3.060 20 10 CGCDRN C[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccc(F)cc1O ZINC000756856026 626738069 /nfs/dbraw/zinc/73/80/69/626738069.db2.gz IYGJKCOOOMJWGT-LLVKDONJSA-N 0 0 298.321 3.285 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cnn(-c3ccccn3)c2)c1 ZINC000756858195 626738606 /nfs/dbraw/zinc/73/86/06/626738606.db2.gz RQHDBWLZYOCUGR-ZDUSSCGKSA-N 0 0 294.358 3.454 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000757637559 626796454 /nfs/dbraw/zinc/79/64/54/626796454.db2.gz JPLXTIUAFNPWGX-PWSUYJOCSA-N 0 0 285.334 3.280 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757654233 626797614 /nfs/dbraw/zinc/79/76/14/626797614.db2.gz CHZOVJDUBWWVPZ-ZYHUDNBSSA-N 0 0 296.392 3.237 20 10 CGCDRN CCOc1cccc(COc2ccc(N(C)C)cc2)n1 ZINC000757717379 626804090 /nfs/dbraw/zinc/80/40/90/626804090.db2.gz HAWLXGHQUDLUNG-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN Cc1cccc(C)c1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759598858 626908041 /nfs/dbraw/zinc/90/80/41/626908041.db2.gz ZGKGTNJDEORLRG-CLFYSBASSA-N 0 0 298.338 3.471 20 10 CGCDRN CCOC(=O)CCCN(C)c1ccc(OC(C)C)cc1 ZINC000759927981 626932122 /nfs/dbraw/zinc/93/21/22/626932122.db2.gz KVDQIANXKQGVGV-UHFFFAOYSA-N 0 0 279.380 3.253 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cnn(CC2CC2)c1 ZINC000761320272 627032214 /nfs/dbraw/zinc/03/22/14/627032214.db2.gz VCFSBIUWZATSRD-UHFFFAOYSA-N 0 0 277.755 3.264 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CCC2(C)C)c(C)n1-c1ccccn1 ZINC000805322078 627301695 /nfs/dbraw/zinc/30/16/95/627301695.db2.gz PSJHGKOTDHVKBB-HNNXBMFYSA-N 0 0 297.402 3.408 20 10 CGCDRN CCOc1ccc(CN2CCn3cccc3[C@@H]2C)c(O)c1 ZINC000768162565 627465266 /nfs/dbraw/zinc/46/52/66/627465266.db2.gz QFEFRVHUDKQWOP-ZDUSSCGKSA-N 0 0 286.375 3.169 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)c(O)c1 ZINC000768317186 627473605 /nfs/dbraw/zinc/47/36/05/627473605.db2.gz GKJZSARWGMQMSN-OAHLLOKOSA-N 0 0 263.381 3.411 20 10 CGCDRN CCOc1ccc(O)c(C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000768868673 627504871 /nfs/dbraw/zinc/50/48/71/627504871.db2.gz PPCFSTNOBCMJAX-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN COc1cccc(O)c1CN(CC(C)C)CC(F)(F)F ZINC000768880617 627505853 /nfs/dbraw/zinc/50/58/53/627505853.db2.gz FGGRJBLAXCCHSK-UHFFFAOYSA-N 0 0 291.313 3.421 20 10 CGCDRN CC[C@@H]1COCCN1Cc1ccc(N(CC)CC)c(F)c1 ZINC000768882144 627505970 /nfs/dbraw/zinc/50/59/70/627505970.db2.gz QQJUKXGFIJVGTR-OAHLLOKOSA-N 0 0 294.414 3.283 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/C1CC1 ZINC000769291933 627536327 /nfs/dbraw/zinc/53/63/27/627536327.db2.gz OAQLERMQKNZYQG-MDZDMXLPSA-N 0 0 259.349 3.097 20 10 CGCDRN Cc1cc(C)cc(N(C)C(=O)/C=C/c2cncc(O)c2)c1 ZINC000770486570 627621776 /nfs/dbraw/zinc/62/17/76/627621776.db2.gz MJWUUCOTYFNWEX-SNAWJCMRSA-N 0 0 282.343 3.080 20 10 CGCDRN CN(C)c1ccc(CN(C)c2nc(C3CC3)ns2)cc1 ZINC000770968119 627667192 /nfs/dbraw/zinc/66/71/92/627667192.db2.gz SWDIBDJDCDQLAO-UHFFFAOYSA-N 0 0 288.420 3.118 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ncc(C)s1 ZINC000772174168 627771335 /nfs/dbraw/zinc/77/13/35/627771335.db2.gz IVRGJZQUWMSCBG-UHFFFAOYSA-N 0 0 274.389 3.413 20 10 CGCDRN Cc1cnc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000772175125 627771410 /nfs/dbraw/zinc/77/14/10/627771410.db2.gz OETLFRDTAOIFGU-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN CCOc1ccc(CN2CCc3cc(OC)ccc32)c(O)c1 ZINC000772599068 627805477 /nfs/dbraw/zinc/80/54/77/627805477.db2.gz MNEGGFDAFQVJHR-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN CC(C)[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc21 ZINC000772918256 627832637 /nfs/dbraw/zinc/83/26/37/627832637.db2.gz NQXYAFKZECWFOV-FDMDGMSGSA-N 0 0 295.386 3.220 20 10 CGCDRN Cc1ccoc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772997943 627839255 /nfs/dbraw/zinc/83/92/55/627839255.db2.gz IITLFCJLXMDHBW-GFCCVEGCSA-N 0 0 272.348 3.145 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000773013450 627842763 /nfs/dbraw/zinc/84/27/63/627842763.db2.gz FXHPBTGKWVDCEY-GFCCVEGCSA-N 0 0 286.375 3.453 20 10 CGCDRN C[C@@H](NC(=O)C1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773017341 627843277 /nfs/dbraw/zinc/84/32/77/627843277.db2.gz DVCJGICEDAWFFB-GFCCVEGCSA-N 0 0 292.448 3.073 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000773403890 627880620 /nfs/dbraw/zinc/88/06/20/627880620.db2.gz UFTFEDJFTVTNNB-LLVKDONJSA-N 0 0 279.380 3.089 20 10 CGCDRN C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773614944 627900501 /nfs/dbraw/zinc/90/05/01/627900501.db2.gz VASYAGUVMFCVIP-IHRRRGAJSA-N 0 0 289.423 3.254 20 10 CGCDRN C[C@@H](NC(=O)N1CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773624575 627901233 /nfs/dbraw/zinc/90/12/33/627901233.db2.gz OHKCLBZIMDJHDV-CHWSQXEVSA-N 0 0 275.396 3.008 20 10 CGCDRN COC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774095106 627944233 /nfs/dbraw/zinc/94/42/33/627944233.db2.gz BRRHPJPYLLNTLD-SFYZADRCSA-N 0 0 278.179 3.385 20 10 CGCDRN C[C@@H]([NH2+]CCN1CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269975 627970782 /nfs/dbraw/zinc/97/07/82/627970782.db2.gz MIIBUDAEYPTRIO-SECBINFHSA-N 0 0 289.206 3.055 20 10 CGCDRN CCC/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775408687 628091808 /nfs/dbraw/zinc/09/18/08/628091808.db2.gz BFNPRFGKXGBDKA-GWJCSSMESA-N 0 0 260.381 3.286 20 10 CGCDRN CC[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccccc1O ZINC000775544293 628104992 /nfs/dbraw/zinc/10/49/92/628104992.db2.gz BJTPUWVUVYMIFN-MRXNPFEDSA-N 0 0 296.370 3.241 20 10 CGCDRN C[C@H](C1CC1)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775650615 628120198 /nfs/dbraw/zinc/12/01/98/628120198.db2.gz SLQGCFBPFYGHID-MRVPVSSYSA-N 0 0 257.736 3.415 20 10 CGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC000775717801 628129058 /nfs/dbraw/zinc/12/90/58/628129058.db2.gz KFUXUCQHFLPCRW-PHIMTYICSA-N 0 0 269.747 3.273 20 10 CGCDRN Cc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775732077 628129993 /nfs/dbraw/zinc/12/99/93/628129993.db2.gz SFWQLCYLUJQGFT-CYBMUJFWSA-N 0 0 298.390 3.339 20 10 CGCDRN C[S@](=O)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000775755151 628133631 /nfs/dbraw/zinc/13/36/31/628133631.db2.gz GJGUXOMVLUZIEG-IBGZPJMESA-N 0 0 295.791 3.395 20 10 CGCDRN COCc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000775855072 628142820 /nfs/dbraw/zinc/14/28/20/628142820.db2.gz LBSYRAOHNRRIEX-UHFFFAOYSA-N 0 0 291.778 3.482 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775916859 628148465 /nfs/dbraw/zinc/14/84/65/628148465.db2.gz SMSSBVCUFWXFKZ-SECBINFHSA-N 0 0 283.730 3.499 20 10 CGCDRN COC1CCC(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000776232669 628183321 /nfs/dbraw/zinc/18/33/21/628183321.db2.gz UCVBRCRKXORDCC-UHFFFAOYSA-N 0 0 283.799 3.340 20 10 CGCDRN C[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000776236968 628183717 /nfs/dbraw/zinc/18/37/17/628183717.db2.gz DLYQQTOPWNUMSY-CHWSQXEVSA-N 0 0 289.423 3.254 20 10 CGCDRN CC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776250292 628184636 /nfs/dbraw/zinc/18/46/36/628184636.db2.gz UBVLSQREZMXDPO-QWHCGFSZSA-N 0 0 277.412 3.254 20 10 CGCDRN CCCCOc1ccc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000776264858 628186930 /nfs/dbraw/zinc/18/69/30/628186930.db2.gz UCZQXVXFPDEVPE-UHFFFAOYSA-N 0 0 292.360 3.280 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000776473204 628213008 /nfs/dbraw/zinc/21/30/08/628213008.db2.gz HCPYPINDCYAHAZ-WOPDTQHZSA-N 0 0 277.364 3.014 20 10 CGCDRN CCC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOCC1 ZINC000777506248 628276787 /nfs/dbraw/zinc/27/67/87/628276787.db2.gz WLVCYDOLEYZOIX-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccccc1 ZINC000777847789 628303820 /nfs/dbraw/zinc/30/38/20/628303820.db2.gz YFPBBMOOBNEFKH-QXMHVHEDSA-N 0 0 266.344 3.456 20 10 CGCDRN CCCCc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778924290 628378806 /nfs/dbraw/zinc/37/88/06/628378806.db2.gz YKABJQFDKZOQAE-UHFFFAOYSA-N 0 0 299.370 3.370 20 10 CGCDRN COc1cc2ccccc2cc1C=C1SC(=O)NC1=O ZINC000874927628 634652726 /nfs/dbraw/zinc/65/27/26/634652726.db2.gz FPUCUIDKFDNHEY-JYRVWZFOSA-N 0 0 285.324 3.172 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1cccc(C)c1C ZINC000779659430 628419584 /nfs/dbraw/zinc/41/95/84/628419584.db2.gz WRNQLRTZRSMIDJ-CMDGGOBGSA-N 0 0 296.370 3.470 20 10 CGCDRN Cc1cccc2c1CCCN2C(=O)/C=C\c1cncc(O)c1 ZINC000779665419 628420046 /nfs/dbraw/zinc/42/00/46/628420046.db2.gz AQOGNSVDBYMFDP-FPLPWBNLSA-N 0 0 294.354 3.088 20 10 CGCDRN O=C(OCc1c(F)cccc1F)C1=CC(=O)CS1 ZINC000780068469 628454817 /nfs/dbraw/zinc/45/48/17/628454817.db2.gz QUCJBOKOXQIYLN-UHFFFAOYSA-N 0 0 270.256 3.089 20 10 CGCDRN CN(CC1=Cc2ccccc2OC1)c1ccc2c(c1)OCO2 ZINC000780778172 628516103 /nfs/dbraw/zinc/51/61/03/628516103.db2.gz FIXJSUYMSSJIKS-UHFFFAOYSA-N 0 0 295.338 3.328 20 10 CGCDRN Oc1ccccc1CN1CCCc2c(F)cccc21 ZINC000780773944 628516389 /nfs/dbraw/zinc/51/63/89/628516389.db2.gz FAOWZDGHYFZVSS-UHFFFAOYSA-N 0 0 257.308 3.484 20 10 CGCDRN COc1ccc(N(CC(C)C)C[C@H](C)OC)cc1 ZINC000782480177 628649210 /nfs/dbraw/zinc/64/92/10/628649210.db2.gz UIRIGFLPZXIVBP-ZDUSSCGKSA-N 0 0 251.370 3.193 20 10 CGCDRN C[C@H]([NH2+]CC1CC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783309474 628702379 /nfs/dbraw/zinc/70/23/79/628702379.db2.gz GHQVCPCKVXYVFK-JTQLQIEISA-N 0 0 278.352 3.387 20 10 CGCDRN COc1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783737020 628744015 /nfs/dbraw/zinc/74/40/15/628744015.db2.gz IDYZGGMERJROPX-HBNTYKKESA-N 0 0 299.798 3.052 20 10 CGCDRN CS[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000784626373 628825695 /nfs/dbraw/zinc/82/56/95/628825695.db2.gz RPTGNIZQONESDX-ZDUSSCGKSA-N 0 0 298.408 3.168 20 10 CGCDRN CO[C@@H]1Cc2ccc(NCc3ccc(N(C)C)cc3)cc2C1 ZINC000784636220 628826702 /nfs/dbraw/zinc/82/67/02/628826702.db2.gz NCDLVVNBZOLYDB-LJQANCHMSA-N 0 0 296.414 3.478 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cncc(C)c1 ZINC000785442577 628862718 /nfs/dbraw/zinc/86/27/18/628862718.db2.gz OMWKUDHNWPLKAY-UHFFFAOYSA-N 0 0 268.360 3.351 20 10 CGCDRN C[C@H](NC(=O)NCC(C1CC1)C1CC1)c1ccccc1O ZINC000875318012 634689753 /nfs/dbraw/zinc/68/97/53/634689753.db2.gz CAZCMUXEOCQWNG-NSHDSACASA-N 0 0 288.391 3.189 20 10 CGCDRN CC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1ccncc1 ZINC000875311074 634689791 /nfs/dbraw/zinc/68/97/91/634689791.db2.gz SFDKMRPVHZDRLN-OAHLLOKOSA-N 0 0 299.374 3.046 20 10 CGCDRN CCN(C[C@@H]1CCO[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000785727092 628882522 /nfs/dbraw/zinc/88/25/22/628882522.db2.gz FLTUGEHALSARKA-UONOGXRCSA-N 0 0 293.407 3.345 20 10 CGCDRN C=C/C(C)=C\CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000788655244 629070893 /nfs/dbraw/zinc/07/08/93/629070893.db2.gz ZBKZFUAASDAQRP-AUWJEWJLSA-N 0 0 284.403 3.208 20 10 CGCDRN CCN(C[C@H]1CC[C@H](C)O1)c1ccc(OC)c(OC)c1 ZINC000789343014 629125510 /nfs/dbraw/zinc/12/55/10/629125510.db2.gz OVFZXHFZWRBJSN-GXTWGEPZSA-N 0 0 279.380 3.098 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000790494420 629213664 /nfs/dbraw/zinc/21/36/64/629213664.db2.gz DMSHNBKFJLNPJR-RKDXNWHRSA-N 0 0 273.348 3.074 20 10 CGCDRN CC(C)Cc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000790787299 629231052 /nfs/dbraw/zinc/23/10/52/629231052.db2.gz AGRQNUGZNQBHNV-UHFFFAOYSA-N 0 0 299.370 3.226 20 10 CGCDRN Cc1occc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790954047 629242901 /nfs/dbraw/zinc/24/29/01/629242901.db2.gz JMNKPIRVKCUODD-UHFFFAOYSA-N 0 0 269.703 3.376 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CCSCC1 ZINC000790961624 629243766 /nfs/dbraw/zinc/24/37/66/629243766.db2.gz JLYFNDBHIZKZJC-UHFFFAOYSA-N 0 0 289.803 3.418 20 10 CGCDRN C=C/C(C)=C/CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000791208543 629261716 /nfs/dbraw/zinc/26/17/16/629261716.db2.gz JXBYNNGVUYJDEJ-GIDUJCDVSA-N 0 0 284.403 3.425 20 10 CGCDRN COc1cc(Cl)cc(Cn2cnc3c2CCCC3)c1O ZINC000862430704 629370713 /nfs/dbraw/zinc/37/07/13/629370713.db2.gz CPXHHQZMKBTKHR-UHFFFAOYSA-N 0 0 292.766 3.178 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C)nc2C2CC2)c1 ZINC000862754783 629428965 /nfs/dbraw/zinc/42/89/65/629428965.db2.gz KHASTASRHCPIKK-UHFFFAOYSA-N 0 0 296.370 3.211 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C)c1 ZINC000862755483 629429783 /nfs/dbraw/zinc/42/97/83/629429783.db2.gz TTYFXRWJJSYPSK-TZMCWYRMSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc[nH]c2C2CCC2)c1 ZINC000862755231 629429974 /nfs/dbraw/zinc/42/99/74/629429974.db2.gz FCTNLHGVOHVYLX-UHFFFAOYSA-N 0 0 284.359 3.226 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@H]2C)c1 ZINC000862755481 629430217 /nfs/dbraw/zinc/43/02/17/629430217.db2.gz TTYFXRWJJSYPSK-OCCSQVGLSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCC2CCCC2)c1 ZINC000862761193 629431658 /nfs/dbraw/zinc/43/16/58/629431658.db2.gz IQDFTQAEDCTYMG-UHFFFAOYSA-N 0 0 261.365 3.287 20 10 CGCDRN COCCC1([NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000793329565 629443362 /nfs/dbraw/zinc/44/33/62/629443362.db2.gz MTQWDIISROSDEX-UHFFFAOYSA-N 0 0 269.772 3.094 20 10 CGCDRN O=C(NCC[C@H]1CC=CCC1)N1Cc2cccc(O)c2C1 ZINC000875844120 634740097 /nfs/dbraw/zinc/74/00/97/634740097.db2.gz DWVUNEMSDBXXFZ-ZDUSSCGKSA-N 0 0 286.375 3.164 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2[nH]ccc2s1 ZINC000793658360 629493859 /nfs/dbraw/zinc/49/38/59/629493859.db2.gz SFHOTPYIEJUWNL-UHFFFAOYSA-N 0 0 286.356 3.207 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC=CCC1 ZINC000875846470 634741159 /nfs/dbraw/zinc/74/11/59/634741159.db2.gz HHRCOFCNIFRCAJ-CQSZACIVSA-N 0 0 288.391 3.280 20 10 CGCDRN COc1ccc(CNC(=O)[C@H](C)CC(C)(C)C)c(O)c1 ZINC000794378994 629538318 /nfs/dbraw/zinc/53/83/18/629538318.db2.gz ICOZVSZDXCJAMX-LLVKDONJSA-N 0 0 279.380 3.089 20 10 CGCDRN COC(=O)CCCCSc1ncc(Cl)s1 ZINC000863348266 629542424 /nfs/dbraw/zinc/54/24/24/629542424.db2.gz RKUDZXSFZRRTJT-UHFFFAOYSA-N 0 0 265.787 3.232 20 10 CGCDRN COc1ccc(CNC(=O)Nc2ccccc2C)c(O)c1 ZINC000794762748 629575583 /nfs/dbraw/zinc/57/55/83/629575583.db2.gz YYXOGCLSMVQHER-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN CC[C@H](Nc1cn(C)nc1OC)c1ccc(C)cc1O ZINC000794818889 629581910 /nfs/dbraw/zinc/58/19/10/629581910.db2.gz ZGMFPQGCYUGVCM-LBPRGKRZSA-N 0 0 275.352 3.006 20 10 CGCDRN C[C@H]1CCCC[C@H]1OCCN(C)c1ccc(N)cc1 ZINC000863557990 629605539 /nfs/dbraw/zinc/60/55/39/629605539.db2.gz YWIWSBLLSSQBCW-XJKSGUPXSA-N 0 0 262.397 3.300 20 10 CGCDRN CC1(C)CC(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000795202847 629644066 /nfs/dbraw/zinc/64/40/66/629644066.db2.gz CSRFXUBTELJURU-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN COc1ccc(NCc2cc(C)ccc2O)c(F)c1 ZINC000864042276 629737157 /nfs/dbraw/zinc/73/71/57/629737157.db2.gz CYZDLMOLESGKCU-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796838792 629845257 /nfs/dbraw/zinc/84/52/57/629845257.db2.gz ZOKDCEIQOQRXKY-GXTWGEPZSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]CC1(COC)CCC1)c1ccc(F)cc1[O-] ZINC000796987976 629869295 /nfs/dbraw/zinc/86/92/95/629869295.db2.gz FFZFPXMTRKJZDA-CQSZACIVSA-N 0 0 281.371 3.389 20 10 CGCDRN CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000797112294 629889969 /nfs/dbraw/zinc/88/99/69/629889969.db2.gz HHSNMGSGKGOKEF-JSGCOSHPSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864863992 629935403 /nfs/dbraw/zinc/93/54/03/629935403.db2.gz UQAVGUGVTNETKF-RNJTYBCJSA-N 0 0 298.430 3.195 20 10 CGCDRN CC/C=C(/F)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000865027323 629991222 /nfs/dbraw/zinc/99/12/22/629991222.db2.gz MKPYPTGVRIJPAL-VIZOYTHASA-N 0 0 278.371 3.365 20 10 CGCDRN Cc1cc(C(=O)NCCCSc2nccs2)oc1C ZINC000125748702 634781641 /nfs/dbraw/zinc/78/16/41/634781641.db2.gz CDRQVBBZQUXSSJ-UHFFFAOYSA-N 0 0 296.417 3.265 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179638 630030951 /nfs/dbraw/zinc/03/09/51/630030951.db2.gz IJTNSHFGUTXJHY-UWVGGRQHSA-N 0 0 289.297 3.241 20 10 CGCDRN O=C(OCc1cnc2ccccc2c1)C1=CC(=O)CS1 ZINC000798616086 630075967 /nfs/dbraw/zinc/07/59/67/630075967.db2.gz RWWXSGBEOLTZOY-UHFFFAOYSA-N 0 0 285.324 3.359 20 10 CGCDRN CC(C)c1nc2[nH]ccc2c(NCc2ccccc2O)n1 ZINC000865488242 630149581 /nfs/dbraw/zinc/14/95/81/630149581.db2.gz XNPJVQKJJYEZCJ-UHFFFAOYSA-N 0 0 282.347 3.399 20 10 CGCDRN CCc1csc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000865667973 630288460 /nfs/dbraw/zinc/28/84/60/630288460.db2.gz ZQHNZTLQDHYNAS-VIFPVBQESA-N 0 0 278.377 3.160 20 10 CGCDRN Cc1ccc(O)c(CN2CCCC[C@@H]2C(F)F)c1 ZINC000800534318 630292127 /nfs/dbraw/zinc/29/21/27/630292127.db2.gz ZRPMKJOXMZRBPQ-GFCCVEGCSA-N 0 0 255.308 3.320 20 10 CGCDRN Cc1cc(C)nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000800943250 630313335 /nfs/dbraw/zinc/31/33/35/630313335.db2.gz WLORYHMXFSOBGE-CQSZACIVSA-N 0 0 297.402 3.255 20 10 CGCDRN Oc1ccccc1CNc1ccc(OC(F)F)nc1 ZINC000801738925 630354188 /nfs/dbraw/zinc/35/41/88/630354188.db2.gz HVJKDCPKCUWVGF-UHFFFAOYSA-N 0 0 266.247 3.001 20 10 CGCDRN CC[C@H](C)CCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000802782293 630411078 /nfs/dbraw/zinc/41/10/78/630411078.db2.gz QSNVXUDYHLDWCF-RYUDHWBXSA-N 0 0 279.380 3.404 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CCCC1)c1cccc(Cl)c1[O-] ZINC000806128063 630545505 /nfs/dbraw/zinc/54/55/05/630545505.db2.gz NBXLKMQMLHYJDJ-CQSZACIVSA-N 0 0 282.815 3.182 20 10 CGCDRN CC[C@H]([NH2+]Cc1nnc(C)s1)c1cccc(Cl)c1[O-] ZINC000806158652 630551087 /nfs/dbraw/zinc/55/10/87/630551087.db2.gz NWNFMSRWIIXNQO-NSHDSACASA-N 0 0 297.811 3.446 20 10 CGCDRN Cc1cc(C)c(O)c(CN2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000840109767 630597056 /nfs/dbraw/zinc/59/70/56/630597056.db2.gz VPRAKMZMKRVESG-MRXNPFEDSA-N 0 0 299.418 3.326 20 10 CGCDRN Oc1ccc(Cl)cc1CN[C@@H](C1CC1)C(F)(F)F ZINC000808438859 630645102 /nfs/dbraw/zinc/64/51/02/630645102.db2.gz PMROMDONZCUTDX-NSHDSACASA-N 0 0 279.689 3.476 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nccnc2C)cc1 ZINC000878220810 635420262 /nfs/dbraw/zinc/42/02/62/635420262.db2.gz SEKVERCOQBDDSY-UHFFFAOYSA-N 0 0 271.364 3.210 20 10 CGCDRN CC(C)SCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809721883 630791621 /nfs/dbraw/zinc/79/16/21/630791621.db2.gz DVJOKXDQWLZXTN-UHFFFAOYSA-N 0 0 277.792 3.416 20 10 CGCDRN CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810253737 630860104 /nfs/dbraw/zinc/86/01/04/630860104.db2.gz BODJNVHYYRIPOQ-MNOVXSKESA-N 0 0 286.366 3.050 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CC(F)F ZINC000842890476 635506142 /nfs/dbraw/zinc/50/61/42/635506142.db2.gz OPVPAHKXKVKDAH-BDAKNGLRSA-N 0 0 288.294 3.242 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CC(F)F ZINC000842890481 635506180 /nfs/dbraw/zinc/50/61/80/635506180.db2.gz OPVPAHKXKVKDAH-IUCAKERBSA-N 0 0 288.294 3.242 20 10 CGCDRN COC[C@H](C)CN1CCCCc2cc(OC)ccc21 ZINC000811508160 631077595 /nfs/dbraw/zinc/07/75/95/631077595.db2.gz DARWPZAVKMDXQL-CYBMUJFWSA-N 0 0 263.381 3.120 20 10 CGCDRN NC(=O)c1cccc(Sc2ncc(Cl)s2)c1 ZINC000811866479 631128184 /nfs/dbraw/zinc/12/81/84/631128184.db2.gz IHQAADOOZHVLLO-UHFFFAOYSA-N 0 0 270.766 3.047 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@H]1CCC[C@H]1C1CC1 ZINC000840277012 631340121 /nfs/dbraw/zinc/34/01/21/631340121.db2.gz PVFOVRNBSBZJJU-HIFRSBDPSA-N 0 0 288.391 3.018 20 10 CGCDRN COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876532182 634852331 /nfs/dbraw/zinc/85/23/31/634852331.db2.gz ZANDRHSPCGQNHE-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN CCOC(=O)CC(C)(C)CN1CCc2cc(OC)ccc21 ZINC000813334379 631413284 /nfs/dbraw/zinc/41/32/84/631413284.db2.gz HXHMHXDMSMHZEI-UHFFFAOYSA-N 0 0 291.391 3.037 20 10 CGCDRN CNC(=O)Oc1cccc(NCc2cccc(C)c2O)c1 ZINC000814174529 631537992 /nfs/dbraw/zinc/53/79/92/631537992.db2.gz FHBZMAUJQFNWSC-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN C[C@H](Nc1ccnc2cccnc21)c1ccc(N(C)C)cc1 ZINC000814876847 631661807 /nfs/dbraw/zinc/66/18/07/631661807.db2.gz JWWREJKRWRVVCI-ZDUSSCGKSA-N 0 0 292.386 3.291 20 10 CGCDRN CCc1ccc(CN(C)c2ccc(OC)cc2OC)nc1 ZINC000815076627 631711225 /nfs/dbraw/zinc/71/12/25/631711225.db2.gz VABFXFLMXLIYPL-UHFFFAOYSA-N 0 0 286.375 3.298 20 10 CGCDRN CCc1noc(C)c1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815145930 631729354 /nfs/dbraw/zinc/72/93/54/631729354.db2.gz IYWZPQTYSBREBL-UHFFFAOYSA-N 0 0 298.745 3.333 20 10 CGCDRN CN(C)c1ccc(CNCc2c(F)cc(F)cc2F)cc1 ZINC000815151941 631732022 /nfs/dbraw/zinc/73/20/22/631732022.db2.gz LPWCGTVKLSOPRT-UHFFFAOYSA-N 0 0 294.320 3.460 20 10 CGCDRN Cc1ccc2snc(C(=O)NCc3ccccc3O)c2c1 ZINC000815833932 631827713 /nfs/dbraw/zinc/82/77/13/631827713.db2.gz LBLPJJLVEYMVRX-UHFFFAOYSA-N 0 0 298.367 3.240 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C(C)(C)C ZINC000816028765 631862534 /nfs/dbraw/zinc/86/25/34/631862534.db2.gz NVVVDVXNNOHOMD-NSHDSACASA-N 0 0 293.407 3.217 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC1CCC1 ZINC000816557414 632011005 /nfs/dbraw/zinc/01/10/05/632011005.db2.gz PLUMPFZYHYJAJW-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN CC[C@@H](CSC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560758 632013252 /nfs/dbraw/zinc/01/32/52/632013252.db2.gz ZQGPDGSQCHIVBH-VIFPVBQESA-N 0 0 277.792 3.416 20 10 CGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816584780 632017370 /nfs/dbraw/zinc/01/73/70/632017370.db2.gz SCUPMLJEAMIDPD-PSASIEDQSA-N 0 0 257.736 3.463 20 10 CGCDRN CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816595065 632018921 /nfs/dbraw/zinc/01/89/21/632018921.db2.gz YDOPYARTXHNSTL-AWEZNQCLSA-N 0 0 287.762 3.186 20 10 CGCDRN COCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816599452 632020625 /nfs/dbraw/zinc/02/06/25/632020625.db2.gz NNJDOWSFJFMLTJ-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN CCc1noc(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816638105 632029150 /nfs/dbraw/zinc/02/91/50/632029150.db2.gz ABRMSGJVAUUONP-UHFFFAOYSA-N 0 0 298.745 3.333 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000816649516 632037600 /nfs/dbraw/zinc/03/76/00/632037600.db2.gz ATIHXEQPOAPFTF-CQSZACIVSA-N 0 0 297.826 3.324 20 10 CGCDRN Cn1cc(/C=C/C(=O)N2CC(C)(C)Cc3ccccc32)cn1 ZINC000816901089 632059227 /nfs/dbraw/zinc/05/92/27/632059227.db2.gz BSPXBOGXNOEKLH-CMDGGOBGSA-N 0 0 295.386 3.049 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)CF)c(C)n1-c1cccc(C)c1 ZINC000817127079 632086978 /nfs/dbraw/zinc/08/69/78/632086978.db2.gz ZPKUHKVVGYKOIZ-LBPRGKRZSA-N 0 0 288.366 3.490 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000817954806 632250423 /nfs/dbraw/zinc/25/04/23/632250423.db2.gz KGWYGMYITXWCEQ-BMIGLBTASA-N 0 0 292.329 3.021 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CN)CC(C)C)c1cccc(Cl)c1[O-] ZINC000817959142 632254684 /nfs/dbraw/zinc/25/46/84/632254684.db2.gz PTGIKGJOUMINGN-RISCZKNCSA-N 0 0 284.831 3.460 20 10 CGCDRN OCCOCc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000818361531 632315428 /nfs/dbraw/zinc/31/54/28/632315428.db2.gz KUKXLAFUMKPRRV-INIZCTEOSA-N 0 0 299.370 3.001 20 10 CGCDRN CC(C)(CC(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000818556251 632334005 /nfs/dbraw/zinc/33/40/05/632334005.db2.gz DYGSHNWAIGRZNC-UHFFFAOYSA-N 0 0 260.259 3.186 20 10 CGCDRN Cc1nnc(N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840384725 632461146 /nfs/dbraw/zinc/46/11/46/632461146.db2.gz OKOOTNAGSIWHIR-LLVKDONJSA-N 0 0 290.436 3.264 20 10 CGCDRN CC1(C)CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000821481628 632781457 /nfs/dbraw/zinc/78/14/57/632781457.db2.gz OTLGXASTKZGQMO-LBPRGKRZSA-N 0 0 288.351 3.158 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)C1C2CC3CC(C2)CC1C3 ZINC000821835369 632830886 /nfs/dbraw/zinc/83/08/86/632830886.db2.gz MWKIJKJOKLVOHL-UHFFFAOYSA-N 0 0 291.416 3.350 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000821842117 632832594 /nfs/dbraw/zinc/83/25/94/632832594.db2.gz INANVPUEGNMUEZ-CGTJXYLNSA-N 0 0 298.430 3.339 20 10 CGCDRN CC1(C)CC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821843425 632833294 /nfs/dbraw/zinc/83/32/94/632833294.db2.gz RLQFBQJKYOSDMT-INIZCTEOSA-N 0 0 286.419 3.339 20 10 CGCDRN CCCSc1cncc(N2Cc3cccc(O)c3C2)n1 ZINC000866117170 633004029 /nfs/dbraw/zinc/00/40/29/633004029.db2.gz HGCRCCGQVHDWPS-UHFFFAOYSA-N 0 0 287.388 3.205 20 10 CGCDRN COc1ccc(N(C)C[C@@H](OC)C2CC2)cc1Cl ZINC000822681983 633004630 /nfs/dbraw/zinc/00/46/30/633004630.db2.gz SJPGDTNFDTVJML-CQSZACIVSA-N 0 0 269.772 3.210 20 10 CGCDRN COc1ccc(N(Cc2cc3n(n2)CCC3)CC2CC2)cc1 ZINC000844338994 635873804 /nfs/dbraw/zinc/87/38/04/635873804.db2.gz VRWAGFPQQFTOKB-UHFFFAOYSA-N 0 0 297.402 3.255 20 10 CGCDRN CCC1(CC)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823173958 633068698 /nfs/dbraw/zinc/06/86/98/633068698.db2.gz KHRWJIWCDMZEOA-UHFFFAOYSA-N 0 0 288.351 3.111 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C(C)C ZINC000840478090 633084752 /nfs/dbraw/zinc/08/47/52/633084752.db2.gz CQXBUXKQVVISIN-AWEZNQCLSA-N 0 0 291.439 3.042 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000866415776 633127877 /nfs/dbraw/zinc/12/78/77/633127877.db2.gz FAMXMZVXRUDLEL-XHNCKOQMSA-N 0 0 290.190 3.121 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000866416228 633127939 /nfs/dbraw/zinc/12/79/39/633127939.db2.gz PSHBKZLOWFKBAS-XHNCKOQMSA-N 0 0 290.190 3.121 20 10 CGCDRN COc1cccc([C@H](C)Nc2cnn3c2CCCC3)c1O ZINC000866462042 633145006 /nfs/dbraw/zinc/14/50/06/633145006.db2.gz YPYWKVABCSBIQE-NSHDSACASA-N 0 0 287.363 3.107 20 10 CGCDRN C[C@H]1c2ccsc2CCN1C(=O)C1=CC(=O)CS1 ZINC000824230756 633214081 /nfs/dbraw/zinc/21/40/81/633214081.db2.gz AREUOLQSTFZRSA-QMMMGPOBSA-N 0 0 279.386 3.275 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccc(O)c(O)c1)C(C)(C)C ZINC000866768734 633241010 /nfs/dbraw/zinc/24/10/10/633241010.db2.gz DSCVUCZNTMSGJT-LBPRGKRZSA-N 0 0 279.380 3.176 20 10 CGCDRN C[C@]1(F)CCCN(Cc2c(O)cccc2Cl)C1 ZINC000824472840 633248776 /nfs/dbraw/zinc/24/87/76/633248776.db2.gz ZOVSORSOZGCLNQ-ZDUSSCGKSA-N 0 0 257.736 3.370 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000867503240 633248777 /nfs/dbraw/zinc/24/87/77/633248777.db2.gz IMDRAHWOIWXZHV-ZIAGYGMSSA-N 0 0 297.402 3.129 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000867503239 633249059 /nfs/dbraw/zinc/24/90/59/633249059.db2.gz IMDRAHWOIWXZHV-UONOGXRCSA-N 0 0 297.402 3.129 20 10 CGCDRN CCN(CC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840488247 633255700 /nfs/dbraw/zinc/25/57/00/633255700.db2.gz KOZZZDGHOCODIN-AWEZNQCLSA-N 0 0 291.439 3.043 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCCCO2)cc1Cl ZINC000121912318 633276017 /nfs/dbraw/zinc/27/60/17/633276017.db2.gz HLHZNPZPBCZGCS-LBPRGKRZSA-N 0 0 269.772 3.354 20 10 CGCDRN CCCN(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840489780 633281375 /nfs/dbraw/zinc/28/13/75/633281375.db2.gz UCVINEYGKZJTOB-CQSZACIVSA-N 0 0 291.439 3.043 20 10 CGCDRN Cc1cccnc1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824795088 633290738 /nfs/dbraw/zinc/29/07/38/633290738.db2.gz PMOSAKDDILZZRK-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000868117787 633296892 /nfs/dbraw/zinc/29/68/92/633296892.db2.gz YSCZOVGIWJFEGK-YNEHKIRRSA-N 0 0 276.380 3.331 20 10 CGCDRN Cc1cc(C)c(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000825221649 633336917 /nfs/dbraw/zinc/33/69/17/633336917.db2.gz VJOWODLZTNBQPY-UHFFFAOYSA-N 0 0 294.757 3.486 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CCCC12CC2)c1ccccc1O ZINC000868819764 633367129 /nfs/dbraw/zinc/36/71/29/633367129.db2.gz ZSNLYSSCGYZMIC-STQMWFEESA-N 0 0 288.391 3.333 20 10 CGCDRN Oc1c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)ccc2ccccc21 ZINC000827153102 633465182 /nfs/dbraw/zinc/46/51/82/633465182.db2.gz YKDPZAGOCSGXJZ-LJQANCHMSA-N 0 0 297.398 3.282 20 10 CGCDRN COc1ccc(O)c(CNCC(F)(F)C(C)(C)C)c1 ZINC000827722621 633512401 /nfs/dbraw/zinc/51/24/01/633512401.db2.gz OZLUWQYGQIQYFE-UHFFFAOYSA-N 0 0 273.323 3.172 20 10 CGCDRN C[C@@H](NC(=O)CCc1ccsc1)c1ccccc1O ZINC000827923478 633534480 /nfs/dbraw/zinc/53/44/80/633534480.db2.gz RNNHUOLXKNZNMN-LLVKDONJSA-N 0 0 275.373 3.264 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccccc1O ZINC000827923660 633535090 /nfs/dbraw/zinc/53/50/90/633535090.db2.gz WWGHHYGPFGATNQ-ZIAGYGMSSA-N 0 0 299.370 3.175 20 10 CGCDRN Cc1cc(C)c(C(=O)N[C@H](C)c2ccccc2O)o1 ZINC000827937173 633536579 /nfs/dbraw/zinc/53/65/79/633536579.db2.gz NCKSSXWGXQSRNP-LLVKDONJSA-N 0 0 259.305 3.093 20 10 CGCDRN CCCCCCOCC(=O)N[C@H](C)c1ccccc1O ZINC000827937333 633536956 /nfs/dbraw/zinc/53/69/56/633536956.db2.gz SIYIKKMIYNNDBV-CYBMUJFWSA-N 0 0 279.380 3.166 20 10 CGCDRN C[C@@H](NC(=O)CCCC(F)(F)F)c1ccccc1O ZINC000827940317 633537414 /nfs/dbraw/zinc/53/74/14/633537414.db2.gz ALYKBYRVJXJFKK-SECBINFHSA-N 0 0 275.270 3.302 20 10 CGCDRN CCC1=C(C(=O)N[C@H](C)c2ccccc2O)CCCO1 ZINC000827946688 633537892 /nfs/dbraw/zinc/53/78/92/633537892.db2.gz ORCAUSSUAXZCTP-LLVKDONJSA-N 0 0 275.348 3.044 20 10 CGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827964859 633542070 /nfs/dbraw/zinc/54/20/70/633542070.db2.gz XZJWDHDFHLZRLT-MELADBBJSA-N 0 0 293.407 3.147 20 10 CGCDRN CC(C)c1[nH]ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964307 633542137 /nfs/dbraw/zinc/54/21/37/633542137.db2.gz KJUQSCOIDFNVTE-NSHDSACASA-N 0 0 272.348 3.335 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccccc1O ZINC000827964213 633542151 /nfs/dbraw/zinc/54/21/51/633542151.db2.gz HSRFCGJYDXDOIQ-CLTVBZQCSA-N 0 0 273.376 3.396 20 10 CGCDRN C[C@H](NC(=O)CC1=CCCCC1)c1ccccc1O ZINC000827978267 633543383 /nfs/dbraw/zinc/54/33/83/633543383.db2.gz NCXIOESYKMNDJT-LBPRGKRZSA-N 0 0 259.349 3.460 20 10 CGCDRN CC[C@H](Nc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978410 633544135 /nfs/dbraw/zinc/54/41/35/633544135.db2.gz RZWANPLYKPQRIK-BBRMVZONSA-N 0 0 298.386 3.460 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C3CC3)s2)cc1F ZINC000828039870 633551726 /nfs/dbraw/zinc/55/17/26/633551726.db2.gz BLGREBUTCYXVGE-UHFFFAOYSA-N 0 0 293.367 3.200 20 10 CGCDRN COCCOc1ccccc1NCc1cc(C)ccc1O ZINC000123235372 633612454 /nfs/dbraw/zinc/61/24/54/633612454.db2.gz SNKOILJHDNNFLP-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)C1=CC(=O)CS1 ZINC000828552489 633628276 /nfs/dbraw/zinc/62/82/76/633628276.db2.gz ZIPKSTUPLMLJQH-RKDXNWHRSA-N 0 0 291.294 3.081 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845792058 636101658 /nfs/dbraw/zinc/10/16/58/636101658.db2.gz PZCDQPVUGGHMDR-CABCVRRESA-N 0 0 273.376 3.177 20 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267.344 3.140 20 10 CGCDRN Cc1ccc(O)c([C@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1 ZINC000834886976 634267758 /nfs/dbraw/zinc/26/77/58/634267758.db2.gz WZMKJVVBWJBTNU-BBRMVZONSA-N 0 0 293.407 3.327 20 10 CGCDRN CCc1nc(CN[C@@H](C)c2cc(C)ccc2O)co1 ZINC000834899105 634275241 /nfs/dbraw/zinc/27/52/41/634275241.db2.gz OSZDQYPDXPVIIR-NSHDSACASA-N 0 0 260.337 3.102 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(Cl)c1[O-] ZINC000834906670 634282138 /nfs/dbraw/zinc/28/21/38/634282138.db2.gz RPNHTSDOPCSGPT-UONOGXRCSA-N 0 0 283.799 3.247 20 10 CGCDRN CCn1cc(NC/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835041377 634329764 /nfs/dbraw/zinc/32/97/64/634329764.db2.gz KPNIPNXCEICCKW-AATRIKPKSA-N 0 0 270.380 3.094 20 10 CGCDRN Oc1ccccc1CNc1ccc2c(c1)OCCCO2 ZINC000019906101 634369293 /nfs/dbraw/zinc/36/92/93/634369293.db2.gz HVIGUEDBMRTGFD-UHFFFAOYSA-N 0 0 271.316 3.166 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(NC)c1 ZINC000876631658 634871321 /nfs/dbraw/zinc/87/13/21/634871321.db2.gz DHWFZIVXHAOZPV-UHFFFAOYSA-N 0 0 298.386 3.486 20 10 CGCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(C)cc1O ZINC000876736597 634888528 /nfs/dbraw/zinc/88/85/28/634888528.db2.gz WQMCZBZHGYORPH-KRWDZBQOSA-N 0 0 299.370 3.047 20 10 CGCDRN CCOc1ccc(NCc2c(C)cccc2O)cc1CO ZINC000876847507 634913929 /nfs/dbraw/zinc/91/39/29/634913929.db2.gz CCOYGZLJVKENHF-UHFFFAOYSA-N 0 0 287.359 3.204 20 10 CGCDRN CCCNC(=O)c1cccc(NCc2c(C)cccc2O)c1 ZINC000876842956 634914040 /nfs/dbraw/zinc/91/40/40/634914040.db2.gz PLVQDJFMGFTHRL-UHFFFAOYSA-N 0 0 298.386 3.453 20 10 CGCDRN Cc1ccc(CNc2ccc(C)c(C(=O)N(C)C)c2)c(O)c1 ZINC000876869891 634917861 /nfs/dbraw/zinc/91/78/61/634917861.db2.gz WTYIPZXDAVSPMJ-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN [O-]c1c(C[NH2+]CCCNc2ccccc2)ccc(F)c1F ZINC000876875724 634918988 /nfs/dbraw/zinc/91/89/88/634918988.db2.gz YBRSFXOJXGPSSI-UHFFFAOYSA-N 0 0 292.329 3.262 20 10 CGCDRN C[C@@H](NC(=O)c1[nH]ccc1C1CC1)c1ccc(N(C)C)cc1 ZINC000837542717 634930157 /nfs/dbraw/zinc/93/01/57/634930157.db2.gz RDXJECOICAPXQJ-GFCCVEGCSA-N 0 0 297.402 3.449 20 10 CGCDRN COc1ccc(CNC(=O)CCCCC(C)C)c(O)c1 ZINC000837593462 634944578 /nfs/dbraw/zinc/94/45/78/634944578.db2.gz VZWFUWQLPYKNDH-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN CCC(CC)n1nccc1C(=O)N(C)c1ccc(N)cc1 ZINC000877074697 634972454 /nfs/dbraw/zinc/97/24/54/634972454.db2.gz QAISLEFZLSUSTF-UHFFFAOYSA-N 0 0 286.379 3.103 20 10 CGCDRN CCCCCc1cc(C(=O)N(C)c2ccc(N)cc2)n[nH]1 ZINC000877074867 634972981 /nfs/dbraw/zinc/97/29/81/634972981.db2.gz ULINFIQWPDECLF-UHFFFAOYSA-N 0 0 286.379 3.001 20 10 CGCDRN CCCCSCCC(=O)N(C)c1ccc(N)cc1 ZINC000877077466 634974915 /nfs/dbraw/zinc/97/49/15/634974915.db2.gz JHMGTRNWNVATMP-UHFFFAOYSA-N 0 0 266.410 3.155 20 10 CGCDRN COc1ccccc1C(C)(C)C(=O)N(C)c1ccc(N)cc1 ZINC000877078037 634975393 /nfs/dbraw/zinc/97/53/93/634975393.db2.gz AIWOHWDFSGPUSC-UHFFFAOYSA-N 0 0 298.386 3.218 20 10 CGCDRN CC(C)C[C@@H](C)OCCC(=O)N(C)c1ccc(N)cc1 ZINC000877077560 634975720 /nfs/dbraw/zinc/97/57/20/634975720.db2.gz MVKRHNLICVWYSK-CYBMUJFWSA-N 0 0 278.396 3.073 20 10 CGCDRN CCOc1ccc(CCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877081104 634976915 /nfs/dbraw/zinc/97/69/15/634976915.db2.gz UPMHTURKBQUPPY-UHFFFAOYSA-N 0 0 298.386 3.263 20 10 CGCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)C1CCCCC1 ZINC000126383889 635006888 /nfs/dbraw/zinc/00/68/88/635006888.db2.gz HCCZVOHKGKLJND-CYBMUJFWSA-N 0 0 277.364 3.187 20 10 CGCDRN CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126435739 635017397 /nfs/dbraw/zinc/01/73/97/635017397.db2.gz AGACCRUNTJUQQI-GFCCVEGCSA-N 0 0 291.391 3.386 20 10 CGCDRN Cc1ccc(CNc2cccc3c2OCC[C@@H]3O)c(O)c1 ZINC000877377370 635032221 /nfs/dbraw/zinc/03/22/21/635032221.db2.gz JCUUMLCABZDIPV-HNNXBMFYSA-N 0 0 285.343 3.129 20 10 CGCDRN COCc1ccc(NCc2c(C)cccc2O)cc1 ZINC000877480532 635053447 /nfs/dbraw/zinc/05/34/47/635053447.db2.gz YHYYUDKFECQVIK-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840816667 635057581 /nfs/dbraw/zinc/05/75/81/635057581.db2.gz XHPHARVPFZFABH-GWCFXTLKSA-N 0 0 277.343 3.067 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000840872690 635070541 /nfs/dbraw/zinc/07/05/41/635070541.db2.gz MKTJMDMXEUZLMU-GWOFURMSSA-N 0 0 285.334 3.135 20 10 CGCDRN COc1ccncc1NCc1ccc(N(C)C)cc1C ZINC000840879613 635072451 /nfs/dbraw/zinc/07/24/51/635072451.db2.gz QXPPTSBEPOHGQV-UHFFFAOYSA-N 0 0 271.364 3.077 20 10 CGCDRN C[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1csnn1 ZINC000840885894 635074483 /nfs/dbraw/zinc/07/44/83/635074483.db2.gz HXFMHMABKKDGAU-JGVFFNPUSA-N 0 0 283.784 3.309 20 10 CGCDRN Cc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c(O)c1 ZINC000877536422 635077465 /nfs/dbraw/zinc/07/74/65/635077465.db2.gz PILSILNZGOPYKI-UHFFFAOYSA-N 0 0 297.354 3.074 20 10 CGCDRN Cc1ccc(CN2CCOCc3ccccc32)c(O)c1 ZINC000877537936 635078402 /nfs/dbraw/zinc/07/84/02/635078402.db2.gz YLATYVMVPCGDBZ-UHFFFAOYSA-N 0 0 269.344 3.237 20 10 CGCDRN COc1cccnc1CNCc1c(O)cc(C)cc1Cl ZINC000840952430 635092217 /nfs/dbraw/zinc/09/22/17/635092217.db2.gz ZVTJXNBJLRQELU-UHFFFAOYSA-N 0 0 292.766 3.047 20 10 CGCDRN COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2ccccc2O)cc1 ZINC000877693175 635147360 /nfs/dbraw/zinc/14/73/60/635147360.db2.gz JSIBPUUQVGMLKQ-JKSUJKDBSA-N 0 0 297.354 3.281 20 10 CGCDRN Cc1c(NC(=O)Nc2ccc(N)cc2)cnn1CC(C)C ZINC000841297144 635148966 /nfs/dbraw/zinc/14/89/66/635148966.db2.gz ATRWPNPJVAQODP-UHFFFAOYSA-N 0 0 287.367 3.074 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000841300800 635149653 /nfs/dbraw/zinc/14/96/53/635149653.db2.gz VINCFBZIYNCTGG-KRWDZBQOSA-N 0 0 295.386 3.412 20 10 CGCDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)c1nc(C)cs1 ZINC000841300816 635149803 /nfs/dbraw/zinc/14/98/03/635149803.db2.gz VRLRFJYOQUEXAR-LBPRGKRZSA-N 0 0 290.392 3.307 20 10 CGCDRN COc1ccc(CN2Cc3cccc(O)c3C2)c(F)c1 ZINC000877703234 635155485 /nfs/dbraw/zinc/15/54/85/635155485.db2.gz XPEXESYHIADLTI-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN Cc1ccc(O)c(CN2Cc3ccccc3NC(=O)[C@H]2C)c1 ZINC000877706011 635156887 /nfs/dbraw/zinc/15/68/87/635156887.db2.gz DHDLEDZOQMJZSX-CYBMUJFWSA-N 0 0 296.370 3.043 20 10 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ZINC000883134803 636552660 /nfs/dbraw/zinc/55/26/60/636552660.db2.gz JRERWDQHJLVYDZ-XHDPSFHLSA-N 0 0 299.361 3.211 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(C)CCCCC2)cc1F ZINC000131114490 636557230 /nfs/dbraw/zinc/55/72/30/636557230.db2.gz YJPOKHVYLWIDMW-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)F ZINC000883399261 636740380 /nfs/dbraw/zinc/74/03/80/636740380.db2.gz IKLKEUOCSKTYHZ-BKPPORCPSA-N 0 0 259.271 3.323 20 10 CGCDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N)cc1 ZINC000883509079 636774706 /nfs/dbraw/zinc/77/47/06/636774706.db2.gz MPNWIUCXPDSJON-XJKSGUPXSA-N 0 0 260.381 3.101 20 10 CGCDRN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000086754757 636782791 /nfs/dbraw/zinc/78/27/91/636782791.db2.gz GWNXNIYTSKZUMG-ZDUSSCGKSA-N 0 0 297.782 3.265 20 10 CGCDRN CC[C@H](C)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132515074 636814788 /nfs/dbraw/zinc/81/47/88/636814788.db2.gz MWOHHPUBPAPILF-VIFPVBQESA-N 0 0 272.186 3.385 20 10 CGCDRN COc1cc(CNc2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000849345924 636816655 /nfs/dbraw/zinc/81/66/55/636816655.db2.gz NBNWULOMYJGCOK-UHFFFAOYSA-N 0 0 291.351 3.002 20 10 CGCDRN C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000132652202 636827926 /nfs/dbraw/zinc/82/79/26/636827926.db2.gz FWHAEXFDYOCHHK-SECBINFHSA-N 0 0 270.170 3.139 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2ncccc2c1 ZINC000132692386 636831606 /nfs/dbraw/zinc/83/16/06/636831606.db2.gz KNNQMAJEOFISMA-UHFFFAOYSA-N 0 0 292.338 3.213 20 10 CGCDRN CCCOC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000850000386 636923304 /nfs/dbraw/zinc/92/33/04/636923304.db2.gz SRTFRMUWNAHRQT-LURJTMIESA-N 0 0 265.787 3.230 20 10 CGCDRN CCOC(=O)CCCSc1ncc(Cl)s1 ZINC000849998609 636924194 /nfs/dbraw/zinc/92/41/94/636924194.db2.gz PSCYDKVMRKCEEZ-UHFFFAOYSA-N 0 0 265.787 3.232 20 10 CGCDRN CC(C)(C)n1ncnc1CSc1ncc(Cl)s1 ZINC000850000155 636925077 /nfs/dbraw/zinc/92/50/77/636925077.db2.gz LCWPMVZTFGMTJW-UHFFFAOYSA-N 0 0 288.829 3.435 20 10 CGCDRN COC(=O)[C@@H](CC(C)C)Sc1ncc(Cl)s1 ZINC000850000405 636925212 /nfs/dbraw/zinc/92/52/12/636925212.db2.gz TYKTWXKZCVROTA-SSDOTTSWSA-N 0 0 279.814 3.476 20 10 CGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000133735303 636972474 /nfs/dbraw/zinc/97/24/74/636972474.db2.gz WINPNEPOANSNHP-ZIAGYGMSSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000133744875 636973192 /nfs/dbraw/zinc/97/31/92/636973192.db2.gz LERMBEQAZBZNBE-UHFFFAOYSA-N 0 0 256.305 3.022 20 10 CGCDRN CN(C(=O)CC(C)(C)CC(F)F)c1ccc(N)cc1 ZINC000884441195 637026506 /nfs/dbraw/zinc/02/65/06/637026506.db2.gz BUTRVWNCLQQMHJ-UHFFFAOYSA-N 0 0 270.323 3.303 20 10 CGCDRN CN(C(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1ccc(N)cc1 ZINC000884442134 637027535 /nfs/dbraw/zinc/02/75/35/637027535.db2.gz XHRAMEZQCHBSIL-FUHWJXTLSA-N 0 0 280.371 3.209 20 10 CGCDRN CCn1ccc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000850363491 637030425 /nfs/dbraw/zinc/03/04/25/637030425.db2.gz BHUNRUNOEZPLRS-UHFFFAOYSA-N 0 0 269.707 3.013 20 10 CGCDRN CC[C@@H]([NH2+]CCC1CC(OC)C1)c1ccc(F)cc1[O-] ZINC000850480995 637084277 /nfs/dbraw/zinc/08/42/77/637084277.db2.gz DGEBHJBBPUEKJH-ABIUDSBCSA-N 0 0 281.371 3.387 20 10 CGCDRN CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000850515365 637098953 /nfs/dbraw/zinc/09/89/53/637098953.db2.gz XAVIGRKOHYSTKY-YRGRVCCFSA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850578928 637130949 /nfs/dbraw/zinc/13/09/49/637130949.db2.gz PSKDCFTVRFAKMQ-KBVBSXBZSA-N 0 0 290.190 3.263 20 10 CGCDRN Cc1c[nH]c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000135665586 637151095 /nfs/dbraw/zinc/15/10/95/637151095.db2.gz UFGQSKRFJISVHF-UHFFFAOYSA-N 0 0 294.358 3.378 20 10 CGCDRN COCc1noc(-c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000109599535 637168176 /nfs/dbraw/zinc/16/81/76/637168176.db2.gz OMBJCWDXHKYFHE-UHFFFAOYSA-N 0 0 283.331 3.291 20 10 CGCDRN Cc1ccc(C(=O)OCc2ccccc2Cl)c(O)c1O ZINC000110000726 637409091 /nfs/dbraw/zinc/40/90/91/637409091.db2.gz NVVCVXMXBNRKRX-UHFFFAOYSA-N 0 0 292.718 3.417 20 10 CGCDRN C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1c([O-])cccc1F ZINC000886493395 637541421 /nfs/dbraw/zinc/54/14/21/637541421.db2.gz JIEXEHKKUUCULM-GFCCVEGCSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886535247 637560764 /nfs/dbraw/zinc/56/07/64/637560764.db2.gz XBQKNKMAWSUTAY-RISCZKNCSA-N 0 0 281.371 3.387 20 10 CGCDRN CCc1cnc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886534726 637560781 /nfs/dbraw/zinc/56/07/81/637560781.db2.gz NJVXYJBXNYDWDM-JTQLQIEISA-N 0 0 294.395 3.444 20 10 CGCDRN CCc1cnc(CN[C@@H](C)c2c(O)cccc2F)s1 ZINC000886535348 637561712 /nfs/dbraw/zinc/56/17/12/637561712.db2.gz YTZPDBLSQZFBIR-VIFPVBQESA-N 0 0 280.368 3.401 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCS1)c1c([O-])cccc1F ZINC000886538504 637563237 /nfs/dbraw/zinc/56/32/37/637563237.db2.gz JFEHGOZDGFKVCD-HZMBPMFUSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1c([O-])cccc1F ZINC000886631666 637619814 /nfs/dbraw/zinc/61/98/14/637619814.db2.gz SYYZLXRFJKWKMC-GTNSWQLSSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1c([O-])cccc1F ZINC000886634902 637621794 /nfs/dbraw/zinc/62/17/94/637621794.db2.gz QAJPAAIWMNXXOC-CFVMTHIKSA-N 0 0 292.398 3.199 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1c([O-])cccc1F ZINC000886637636 637622805 /nfs/dbraw/zinc/62/28/05/637622805.db2.gz BCLDOFBRILSYJX-DRZCJDIDSA-N 0 0 287.334 3.360 20 10 CGCDRN C[C@@H](NC(=O)NC1CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000852262155 637624505 /nfs/dbraw/zinc/62/45/05/637624505.db2.gz ZVGOKLUNYVOCFY-GFCCVEGCSA-N 0 0 289.423 3.301 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@@H]1CCCOC1 ZINC000886651970 637631407 /nfs/dbraw/zinc/63/14/07/637631407.db2.gz WEVLTKGXRCZGHF-BZPMIXESSA-N 0 0 281.371 3.387 20 10 CGCDRN CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000300653095 637849401 /nfs/dbraw/zinc/84/94/01/637849401.db2.gz IZHKQSULXZJRKE-STQMWFEESA-N 0 0 279.409 3.065 20 10 CGCDRN C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000853542368 637865475 /nfs/dbraw/zinc/86/54/75/637865475.db2.gz OZPBXYFVXYKCMI-CYBMUJFWSA-N 0 0 287.403 3.024 20 10 CGCDRN CO[C@@H](c1nc(Cc2ccc(N)cc2)no1)C1CCCC1 ZINC000854134027 637992384 /nfs/dbraw/zinc/99/23/84/637992384.db2.gz LPNGXCAUNNZDGL-OAHLLOKOSA-N 0 0 287.363 3.120 20 10 CGCDRN C[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000112114406 638037538 /nfs/dbraw/zinc/03/75/38/638037538.db2.gz GAOFZLMEMBFKNC-CQSZACIVSA-N 0 0 283.371 3.229 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000112463636 638081604 /nfs/dbraw/zinc/08/16/04/638081604.db2.gz SNPGTKJEGSTRAP-WDEREUQCSA-N 0 0 294.395 3.196 20 10 CGCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(C)c2)c1 ZINC000114512456 638374816 /nfs/dbraw/zinc/37/48/16/638374816.db2.gz DFGMAMKJNQQNML-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN Cc1ccccc1CC(=O)NCc1ccc(N(C)C)cc1C ZINC000115281209 638515371 /nfs/dbraw/zinc/51/53/71/638515371.db2.gz JAVWWRSMPHPWFP-UHFFFAOYSA-N 0 0 296.414 3.228 20 10 CGCDRN CC1(C)C(C(=O)NCc2cc(Cl)ccc2O)C1(C)C ZINC000857547506 638516314 /nfs/dbraw/zinc/51/63/14/638516314.db2.gz HNOXIVFAQWDVLU-UHFFFAOYSA-N 0 0 281.783 3.344 20 10 CGCDRN CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(F)F ZINC000858171004 638648737 /nfs/dbraw/zinc/64/87/37/638648737.db2.gz RWBRKQWSVYWWRC-LLVKDONJSA-N 0 0 278.293 3.164 20 10 CGCDRN COc1cc(NCc2cc(C)c(C)cc2O)cnc1OC ZINC000858234914 638661347 /nfs/dbraw/zinc/66/13/47/638661347.db2.gz JYHUITZRMLJIIP-UHFFFAOYSA-N 0 0 288.347 3.033 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ccsc2)c1 ZINC000858430451 638715114 /nfs/dbraw/zinc/71/51/14/638715114.db2.gz WIJNKRPLANWKIJ-LLVKDONJSA-N 0 0 290.388 3.323 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCC12CC2 ZINC000858452637 638723551 /nfs/dbraw/zinc/72/35/51/638723551.db2.gz NPCMLGFNVZUDQM-KRWDZBQOSA-N 0 0 298.430 3.483 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cnn(CCF)c2)c(O)c1 ZINC000858492530 638742761 /nfs/dbraw/zinc/74/27/61/638742761.db2.gz YPXUQNWSAXUXPU-LLVKDONJSA-N 0 0 263.316 3.040 20 10 CGCDRN C[C@H](Nc1cnn(CCF)c1)c1cc(F)cc(F)c1O ZINC000858491678 638743069 /nfs/dbraw/zinc/74/30/69/638743069.db2.gz NGVJPDOQOCTIQZ-QMMMGPOBSA-N 0 0 285.269 3.010 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858543529 638758293 /nfs/dbraw/zinc/75/82/93/638758293.db2.gz KUFYQZZLGZPNCA-XHNCKOQMSA-N 0 0 290.190 3.121 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(F)cc1[O-] ZINC000927091950 638840642 /nfs/dbraw/zinc/84/06/42/638840642.db2.gz ULGGFKROZMPFFP-NSHDSACASA-N 0 0 287.334 3.317 20 10 CGCDRN C/C(=C/C(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928708250 638889225 /nfs/dbraw/zinc/88/92/25/638889225.db2.gz JIKDDFXEXQWUTE-NTMALXAHSA-N 0 0 265.328 3.140 20 10 CGCDRN CCOc1ccc(N(C)Cc2cnc(CC)o2)cc1 ZINC000929696406 638942217 /nfs/dbraw/zinc/94/22/17/638942217.db2.gz MCUCWIKPNYZUQX-UHFFFAOYSA-N 0 0 260.337 3.272 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nccnc1F ZINC000858572472 638995797 /nfs/dbraw/zinc/99/57/97/638995797.db2.gz UIQKUFDVILOQQQ-LBPRGKRZSA-N 0 0 288.370 3.033 20 10 CGCDRN O=C(NCc1ccccc1O)OCC1CCCCC1 ZINC000859001809 639057429 /nfs/dbraw/zinc/05/74/29/639057429.db2.gz ATBFLTIFBOMJIU-UHFFFAOYSA-N 0 0 263.337 3.199 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000859594324 639170504 /nfs/dbraw/zinc/17/05/04/639170504.db2.gz WOGQWZAIEINWDN-IRXDYDNUSA-N 0 0 298.361 3.218 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000860233133 639314419 /nfs/dbraw/zinc/31/44/19/639314419.db2.gz IFOVKLGRGJRFCV-UHFFFAOYSA-N 0 0 296.370 3.405 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2c(C)ccnc2C)c1 ZINC000861092588 639508621 /nfs/dbraw/zinc/50/86/21/639508621.db2.gz KPOOUDNRQLILQH-UHFFFAOYSA-N 0 0 285.347 3.034 20 10 CGCDRN CC(C)CCCC(=O)NCc1ccc2cccnc2c1O ZINC000862026226 639634491 /nfs/dbraw/zinc/63/44/91/639634491.db2.gz JAWKFFAFFKIFDY-UHFFFAOYSA-N 0 0 286.375 3.383 20 10 CGCDRN CC1(C)CC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862027644 639636094 /nfs/dbraw/zinc/63/60/94/639636094.db2.gz ZZQLLYVYFNQMOQ-CYBMUJFWSA-N 0 0 298.386 3.383 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1nccs1 ZINC000041011980 639898773 /nfs/dbraw/zinc/89/87/73/639898773.db2.gz HYDXBGSINKKFHQ-UHFFFAOYSA-N 0 0 289.187 3.445 20 10 CGCDRN CC(=O)c1ccc(NC(=O)CSc2nccs2)cc1 ZINC000047238784 640006799 /nfs/dbraw/zinc/00/67/99/640006799.db2.gz HVECTCYJQMLCDR-UHFFFAOYSA-N 0 0 292.385 3.077 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(F)ccc1F ZINC000047334321 640010786 /nfs/dbraw/zinc/01/07/86/640010786.db2.gz UBTIEASSBAYDHJ-UHFFFAOYSA-N 0 0 292.285 3.334 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1c(F)cccc1F ZINC000047335540 640010912 /nfs/dbraw/zinc/01/09/12/640010912.db2.gz NHNPOOBOBPCIFN-UHFFFAOYSA-N 0 0 292.285 3.334 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)s1 ZINC000048606735 640062157 /nfs/dbraw/zinc/06/21/57/640062157.db2.gz BRHDCBCSOCBYFD-UHFFFAOYSA-N 0 0 281.764 3.379 20 10 CGCDRN CN(C)c1ccc(CNc2ccsc2[N+](=O)[O-])cc1 ZINC000049056656 640080521 /nfs/dbraw/zinc/08/05/21/640080521.db2.gz MEMRKCXVFIDUPT-UHFFFAOYSA-N 0 0 277.349 3.334 20 10 CGCDRN CCNc1cc(C)ccc1NC(=O)c1cccc(O)c1O ZINC000191342337 640304881 /nfs/dbraw/zinc/30/48/81/640304881.db2.gz FQGUXYRXWXPAKP-UHFFFAOYSA-N 0 0 286.331 3.090 20 10 CGCDRN C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccccc1O ZINC000192743473 640400897 /nfs/dbraw/zinc/40/08/97/640400897.db2.gz QIPZIRGZJNMVGM-WDEREUQCSA-N 0 0 298.342 3.285 20 10 CGCDRN CCn1nc(C)c(NCc2cc(C)c(C)cc2O)c1C ZINC000092567964 640740346 /nfs/dbraw/zinc/74/03/46/640740346.db2.gz HVXSLJHZZDRTDH-UHFFFAOYSA-N 0 0 273.380 3.454 20 10 CGCDRN CCn1nc(C)c(NCc2cc(C)ccc2O)c1C ZINC000092567802 640740995 /nfs/dbraw/zinc/74/09/95/640740995.db2.gz SJERCTDJPYKEAN-UHFFFAOYSA-N 0 0 259.353 3.146 20 10 CGCDRN CCOc1ccc(O)c(C[N@H+](CC)Cc2ccoc2)c1 ZINC000092935956 640751649 /nfs/dbraw/zinc/75/16/49/640751649.db2.gz DNUAGHJALKEFHU-UHFFFAOYSA-N 0 0 275.348 3.406 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c(O)c1 ZINC000248520910 640765703 /nfs/dbraw/zinc/76/57/03/640765703.db2.gz RGKBPTWPRNGHBM-DAYGRLMNSA-N 0 0 299.414 3.343 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2CCc3ccccc3C2)c1O ZINC000097395040 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/nfs/dbraw/zinc/09/73/60/806097360.db2.gz GORCWWMOAGCNKI-UHFFFAOYSA-N 0 0 298.386 3.474 20 10 CGCDRN CCc1cc(Cl)nc(NCc2cccc(C)c2O)n1 ZINC001160771311 806302029 /nfs/dbraw/zinc/30/20/29/806302029.db2.gz UAEMPSZRLPSZMY-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN CSCc1ccnc(NCc2ccc(N)cc2)c1 ZINC001162787581 806665557 /nfs/dbraw/zinc/66/55/57/806665557.db2.gz NQTRGBJKISMBSF-UHFFFAOYSA-N 0 0 259.378 3.139 20 10 CGCDRN Nc1ccc(CNc2cc3ccsc3cn2)cc1 ZINC001162785440 806666311 /nfs/dbraw/zinc/66/63/11/806666311.db2.gz DNZDMAJSCDPFMA-UHFFFAOYSA-N 0 0 255.346 3.491 20 10 CGCDRN Cc1ccccc1SCC(=O)c1ccc(O)c(O)c1 ZINC000037666113 798871872 /nfs/dbraw/zinc/87/18/72/798871872.db2.gz TYQNLEHHUGOQMM-UHFFFAOYSA-N 0 0 274.341 3.381 20 10 CGCDRN CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(N)cc1 ZINC000037799091 798875061 /nfs/dbraw/zinc/87/50/61/798875061.db2.gz XPKUOXRVWDDPET-UHFFFAOYSA-N 0 0 288.778 3.123 20 10 CGCDRN CC1CCN(c2nc(-c3ccc(O)c(O)c3)cs2)CC1 ZINC000048640687 798892794 /nfs/dbraw/zinc/89/27/94/798892794.db2.gz 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799990962 /nfs/dbraw/zinc/99/09/62/799990962.db2.gz HVNXMLYTIZFZBK-CQSZACIVSA-N 0 0 253.292 3.259 20 10 CGCDRN CC[C@@](C)([NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517688 799991040 /nfs/dbraw/zinc/99/10/40/799991040.db2.gz RYZZBXRLNLQDAI-CQSZACIVSA-N 0 0 255.308 3.339 20 10 CGCDRN CC1([NH2+]Cc2cccc(Cl)c2[O-])CC(F)(F)C1 ZINC000720922418 800271751 /nfs/dbraw/zinc/27/17/51/800271751.db2.gz GXDQGRVLESZLRP-UHFFFAOYSA-N 0 0 261.699 3.323 20 10 CGCDRN CC1(c2ccccc2C(=O)NCc2ccc(N)cc2)CC1 ZINC000906626543 800599264 /nfs/dbraw/zinc/59/92/64/800599264.db2.gz GOUMCDSYDCBJOG-UHFFFAOYSA-N 0 0 280.371 3.250 20 10 CGCDRN CC(C)(C)c1nsc(NCc2c(O)cccc2F)n1 ZINC001120063763 802732442 /nfs/dbraw/zinc/73/24/42/802732442.db2.gz KFSPBKWURODXDY-UHFFFAOYSA-N 0 0 281.356 3.292 20 10 CGCDRN CC(C)CC(C)(C)CNC(=O)NCc1ccc(N)cc1 ZINC001120659385 802757606 /nfs/dbraw/zinc/75/76/06/802757606.db2.gz IYOJHTRTAWOVQL-UHFFFAOYSA-N 0 0 277.412 3.140 20 10 CGCDRN Nc1ccc(CNC(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC001122444763 802870304 /nfs/dbraw/zinc/87/03/04/802870304.db2.gz HDKPBJLLZKEVFL-UHFFFAOYSA-N 0 0 296.370 3.130 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC12CC2 ZINC001124549984 803028878 /nfs/dbraw/zinc/02/88/78/803028878.db2.gz UOHVJQRHFLRDMP-MRXNPFEDSA-N 0 0 284.403 3.045 20 10 CGCDRN CCn1cc(-c2cccc3c2cc(C)n3C)ccc1=O ZINC001243837850 803040913 /nfs/dbraw/zinc/04/09/13/803040913.db2.gz ZMWXHTGRURAQHT-UHFFFAOYSA-N 0 0 266.344 3.335 20 10 CGCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1ccccc1F ZINC001124873435 803041954 /nfs/dbraw/zinc/04/19/54/803041954.db2.gz LIQROUXVDVSVJH-BENRWUELSA-N 0 0 285.322 3.072 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(Cl)cn1 ZINC001125911021 803079185 /nfs/dbraw/zinc/07/91/85/803079185.db2.gz HYAHOTSUGLTHDW-VMPITWQZSA-N 0 0 287.750 3.115 20 10 CGCDRN Cc1cc(C)c(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001244151393 803212009 /nfs/dbraw/zinc/21/20/09/803212009.db2.gz VRBNNFOHYLZIPO-UHFFFAOYSA-N 0 0 282.265 3.089 20 10 CGCDRN CSc1ncc(C)cc1-c1ccn(CC2CC2)c(=O)c1 ZINC001244883790 803562092 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/nfs/dbraw/zinc/91/41/53/803914153.db2.gz CQVORMKMMQIBOI-UHFFFAOYSA-N 0 0 297.402 3.019 20 10 CGCDRN CCN(Cc1ccc(N(C)C)c(C)c1)CC(F)(F)F ZINC001139672813 804247211 /nfs/dbraw/zinc/24/72/11/804247211.db2.gz HBMVKOWJRMNOPQ-UHFFFAOYSA-N 0 0 274.330 3.445 20 10 CGCDRN Cc1cc(CN2CC(F)(F)C[C@H]2CF)ccc1N(C)C ZINC001139669958 804247783 /nfs/dbraw/zinc/24/77/83/804247783.db2.gz RMKHPJODTDKTRG-ZDUSSCGKSA-N 0 0 286.341 3.240 20 10 CGCDRN C[C@]1(F)CCC[N@H+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685723 804251155 /nfs/dbraw/zinc/25/11/55/804251155.db2.gz VAIXXLHQDKCADC-AWEZNQCLSA-N 0 0 273.298 3.385 20 10 CGCDRN C[C@@]1(F)CCCC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685787 804251874 /nfs/dbraw/zinc/25/18/74/804251874.db2.gz XFXGVLOWLAGUPE-CQSZACIVSA-N 0 0 273.298 3.385 20 10 CGCDRN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139682825 804253059 /nfs/dbraw/zinc/25/30/59/804253059.db2.gz DBVCMMRZNVEJME-VHSXEESVSA-N 0 0 255.308 3.291 20 10 CGCDRN CC(C)Oc1ccccc1-c1noc(-c2csnn2)n1 ZINC001212362480 815010786 /nfs/dbraw/zinc/01/07/86/815010786.db2.gz WJANFQYINSVODA-UHFFFAOYSA-N 0 0 288.332 3.042 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCC[C@]1(C)O ZINC001140462506 804441161 /nfs/dbraw/zinc/44/11/61/804441161.db2.gz HULZVEWXJYNIDI-ABAIWWIYSA-N 0 0 283.799 3.029 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCC[C@@H]1c1cnccn1 ZINC001140466226 804443311 /nfs/dbraw/zinc/44/33/11/804443311.db2.gz BUHWDECVMBKDLJ-CQSZACIVSA-N 0 0 289.766 3.173 20 10 CGCDRN CC(C)[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584217 804468690 /nfs/dbraw/zinc/46/86/90/804468690.db2.gz JHMFAJVZTCQVGO-ZDUSSCGKSA-N 0 0 255.308 3.291 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(CC4CC4)o3)cc2)c1 ZINC001256934956 807013551 /nfs/dbraw/zinc/01/35/51/807013551.db2.gz BNWJLTKYPQPHNR-UHFFFAOYSA-N 0 0 265.316 3.480 20 10 CGCDRN CC(C)[C@H](O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256957088 807015008 /nfs/dbraw/zinc/01/50/08/807015008.db2.gz GIRWJMUFBXYMOZ-AWEZNQCLSA-N 0 0 283.331 3.217 20 10 CGCDRN CN(C)c1ccc(CN2Cc3ncsc3C2)c(Cl)c1 ZINC001140926704 804551124 /nfs/dbraw/zinc/55/11/24/804551124.db2.gz RBOIWQSJCAZHIU-UHFFFAOYSA-N 0 0 293.823 3.378 20 10 CGCDRN CC1(O)CC(c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256970007 807021465 /nfs/dbraw/zinc/02/14/65/807021465.db2.gz INIANBSBYNOOOE-UHFFFAOYSA-N 0 0 295.342 3.156 20 10 CGCDRN CO[C@H](C)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256970379 807021480 /nfs/dbraw/zinc/02/14/80/807021480.db2.gz NVLFKVJCDRGWMN-GFCCVEGCSA-N 0 0 283.331 3.105 20 10 CGCDRN C[N@H+](Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142501880 804726680 /nfs/dbraw/zinc/72/66/80/804726680.db2.gz DVQLNDSUCQSZJQ-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCC1(F)F ZINC001142508909 804728106 /nfs/dbraw/zinc/72/81/06/804728106.db2.gz PNGLQEIGYIGHER-QMMMGPOBSA-N 0 0 277.261 3.148 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001142524656 804731920 /nfs/dbraw/zinc/73/19/20/804731920.db2.gz FXZGDOLURCAZHR-LBPRGKRZSA-N 0 0 290.313 3.055 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CC2CCC(CC2)C1 ZINC001142527009 804732255 /nfs/dbraw/zinc/73/22/55/804732255.db2.gz GFBHHNSLNLKZRK-UHFFFAOYSA-N 0 0 267.319 3.292 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)c1csc2ccccc12 ZINC001142533406 804733057 /nfs/dbraw/zinc/73/30/57/804733057.db2.gz IVKBPPMVQYBZHF-UHFFFAOYSA-N 0 0 299.351 3.243 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC001142527406 804734114 /nfs/dbraw/zinc/73/41/14/804734114.db2.gz TYGGVZQZWWZCFE-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN Cc1cc(C)c2c(c1)N(C(=O)c1cccc(O)c1O)CCC2 ZINC001143659083 804882103 /nfs/dbraw/zinc/88/21/03/804882103.db2.gz UYWFJIICDQPSMN-UHFFFAOYSA-N 0 0 297.354 3.308 20 10 CGCDRN CCCC(=O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001144041042 804929320 /nfs/dbraw/zinc/92/93/20/804929320.db2.gz VUFRTSPILFKRCJ-UHFFFAOYSA-N 0 0 296.370 3.171 20 10 CGCDRN COC1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248880417 805030692 /nfs/dbraw/zinc/03/06/92/805030692.db2.gz IVBZQRWGNSHQNU-UHFFFAOYSA-N 0 0 283.799 3.174 20 10 CGCDRN CC[C@@](C)(NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001146926731 805098387 /nfs/dbraw/zinc/09/83/87/805098387.db2.gz QAKKYCRSMLWMCL-QGZVFWFLSA-N 0 0 285.343 3.153 20 10 CGCDRN CC1(F)CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249223411 805115623 /nfs/dbraw/zinc/11/56/23/805115623.db2.gz FLAMZBJUTSGQBQ-UHFFFAOYSA-N 0 0 277.339 3.120 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2nccc3ccccc32)c1 ZINC001147957009 805156826 /nfs/dbraw/zinc/15/68/26/805156826.db2.gz MAUXUEASXCGXIK-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2ccc3cc[nH]c3c2)c(O)c1 ZINC001149219357 805225555 /nfs/dbraw/zinc/22/55/55/805225555.db2.gz ZYEXVXRQTIOHSB-UHFFFAOYSA-N 0 0 294.354 3.420 20 10 CGCDRN Cc1cc(F)c(Nc2cccc(O)c2O)cc1F ZINC001249796384 805251143 /nfs/dbraw/zinc/25/11/43/805251143.db2.gz KMGLBBXCKKCCLZ-UHFFFAOYSA-N 0 0 251.232 3.428 20 10 CGCDRN O=C(C/C=C/Cc1ccccc1)NCc1ccccc1O ZINC001150535542 805260210 /nfs/dbraw/zinc/26/02/10/805260210.db2.gz CUSJAGWPMJHIKO-QPJJXVBHSA-N 0 0 281.355 3.197 20 10 CGCDRN C=Cc1ccc(N(CC)Cc2ccccc2O)nc1 ZINC001154888341 805504772 /nfs/dbraw/zinc/50/47/72/805504772.db2.gz AHVCNXOFJHHJSW-UHFFFAOYSA-N 0 0 254.333 3.457 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])cc1C ZINC001154890125 805505969 /nfs/dbraw/zinc/50/59/69/805505969.db2.gz PYALSUFSSKUPPC-UHFFFAOYSA-N 0 0 287.319 3.030 20 10 CGCDRN CCOc1cccc(N(CC)Cc2ccccc2O)n1 ZINC001154889734 805506305 /nfs/dbraw/zinc/50/63/05/805506305.db2.gz GEWVFRTVJBYUEX-UHFFFAOYSA-N 0 0 272.348 3.212 20 10 CGCDRN CCC1(CC)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001166713135 807087812 /nfs/dbraw/zinc/08/78/12/807087812.db2.gz ZZECJEBLNJIAPR-UHFFFAOYSA-N 0 0 291.391 3.069 20 10 CGCDRN O=C(Nc1ccccc1-c1ncco1)c1cccc(O)c1O ZINC001167439954 807194622 /nfs/dbraw/zinc/19/46/22/807194622.db2.gz NKRJHWBUHFQCEP-UHFFFAOYSA-N 0 0 296.282 3.005 20 10 CGCDRN COc1cccc(N)c1N[C@@H]1CCNc2ccccc21 ZINC001168646124 807465091 /nfs/dbraw/zinc/46/50/91/807465091.db2.gz SZAVINYNXCODOY-CQSZACIVSA-N 0 0 269.348 3.246 20 10 CGCDRN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC001259522692 807680581 /nfs/dbraw/zinc/68/05/81/807680581.db2.gz VFMHVLBONLGGJL-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN Oc1ccc(CNc2ccc(-c3ccno3)cc2)cc1O ZINC001169993664 807735494 /nfs/dbraw/zinc/73/54/94/807735494.db2.gz WZWIGJGPLKLZDO-UHFFFAOYSA-N 0 0 282.299 3.365 20 10 CGCDRN COc1ccc(NCc2ccc(O)c(O)c2)c(C)c1OC ZINC001169995291 807736122 /nfs/dbraw/zinc/73/61/22/807736122.db2.gz XSCLSJSLSZDYLB-UHFFFAOYSA-N 0 0 289.331 3.036 20 10 CGCDRN CNc1ccccc1N[C@H]1COc2cccc(OC)c2C1 ZINC001171316971 808025083 /nfs/dbraw/zinc/02/50/83/808025083.db2.gz UNYNXCXDODLSIA-GFCCVEGCSA-N 0 0 284.359 3.153 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1cn2ccnc2cn1 ZINC001171404679 808047862 /nfs/dbraw/zinc/04/78/62/808047862.db2.gz IMNOZJFHWFXUJV-UHFFFAOYSA-N 0 0 290.326 3.200 20 10 CGCDRN CNc1ccccc1NCc1cccc2ncoc21 ZINC001171457901 808063126 /nfs/dbraw/zinc/06/31/26/808063126.db2.gz YCCVHPRUAXMPNO-UHFFFAOYSA-N 0 0 253.305 3.482 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2cccnc2c1)c1ccccc1O ZINC001171723710 808125556 /nfs/dbraw/zinc/12/55/56/808125556.db2.gz YCYGWHORLOQHSC-GFCCVEGCSA-N 0 0 292.338 3.431 20 10 CGCDRN Cc1cc(F)c2[nH]ccc2c1N(CCO)c1ccc(N)cc1 ZINC001212974522 815193379 /nfs/dbraw/zinc/19/33/79/815193379.db2.gz CRHOKTCAZLBRGY-UHFFFAOYSA-N 0 0 299.349 3.328 20 10 CGCDRN Oc1cccc(Nc2cnc3ccccc3c2)c1O ZINC001174002198 808815070 /nfs/dbraw/zinc/81/50/70/808815070.db2.gz KHLVGCBCGDQGKJ-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN Cc1nn(C)c(C)c1Nc1nc(-c2ccncc2)cs1 ZINC001174223986 808910938 /nfs/dbraw/zinc/91/09/38/808910938.db2.gz KGIRQJDMKFJUNO-UHFFFAOYSA-N 0 0 285.376 3.299 20 10 CGCDRN Cc1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)n(C)n1 ZINC001174831810 809175492 /nfs/dbraw/zinc/17/54/92/809175492.db2.gz WWQVVLPZUZNWFT-UHFFFAOYSA-N 0 0 293.374 3.363 20 10 CGCDRN O=C([C@H]1CSc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001175031953 809246056 /nfs/dbraw/zinc/24/60/56/809246056.db2.gz WIPLFCVQUPGGTO-AWEZNQCLSA-N 0 0 297.379 3.124 20 10 CGCDRN CCOc1ccc(C)cc1N(CCO)c1ccc(N)cc1 ZINC001175122586 809280134 /nfs/dbraw/zinc/28/01/34/809280134.db2.gz CXUSUOSNEMBIJL-UHFFFAOYSA-N 0 0 286.375 3.106 20 10 CGCDRN Oc1cccc(Nc2ccc3ncccc3c2)c1O ZINC001175375841 809383572 /nfs/dbraw/zinc/38/35/72/809383572.db2.gz AJNHQZBKBYVMTM-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN Cc1c2c[nH]nc2ccc1N(C)c1ccc(N)cc1 ZINC001175466936 809417537 /nfs/dbraw/zinc/41/75/37/809417537.db2.gz FSOJAXSNUXTZFW-UHFFFAOYSA-N 0 0 252.321 3.221 20 10 CGCDRN COc1cccc(N(CCO)c2ccc(N)cc2)c1Cl ZINC001175894903 809566325 /nfs/dbraw/zinc/56/63/25/809566325.db2.gz PMCJSAAPRQJFTE-UHFFFAOYSA-N 0 0 292.766 3.061 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2scnc2c1)c1ccccc1O ZINC001302533083 809597114 /nfs/dbraw/zinc/59/71/14/809597114.db2.gz ZXBRJONNYNIUEK-SNVBAGLBSA-N 0 0 298.367 3.493 20 10 CGCDRN CCc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001302532924 809597309 /nfs/dbraw/zinc/59/73/09/809597309.db2.gz UWVRCGORLGYJKK-LBPRGKRZSA-N 0 0 269.344 3.446 20 10 CGCDRN Nc1ccc(Nc2c(F)cc(F)c(O)c2F)cc1 ZINC001176672874 809741311 /nfs/dbraw/zinc/74/13/11/809741311.db2.gz MOYCBHVDFMKGOS-UHFFFAOYSA-N 0 0 254.211 3.135 20 10 CGCDRN O=C([C@H]1C[C@H]1c1cccs1)N1CCc2cccc(O)c2C1 ZINC001177541165 809806698 /nfs/dbraw/zinc/80/66/98/809806698.db2.gz SUQVCBDCXSGEBO-OLZOCXBDSA-N 0 0 299.395 3.142 20 10 CGCDRN CN(C)c1ccc(/C=C/C(=O)N(C)C(C)(C)C)cc1 ZINC001180125599 809976515 /nfs/dbraw/zinc/97/65/15/809976515.db2.gz JOURACWVUACBMZ-FMIVXFBMSA-N 0 0 260.381 3.023 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc(F)c(F)c1 ZINC001180401415 809999154 /nfs/dbraw/zinc/99/91/54/809999154.db2.gz UQWASNQNUXHWBC-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN C[N@H+](Cc1cccc(F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001180497813 810006264 /nfs/dbraw/zinc/00/62/64/810006264.db2.gz UXEMCXRFSNWZGI-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001181987291 810087247 /nfs/dbraw/zinc/08/72/47/810087247.db2.gz QVAXSEZQTNTRGK-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN COc1cc(C)cc(CNc2cc3cc[nH]c3cn2)c1O ZINC001182625476 810117928 /nfs/dbraw/zinc/11/79/28/810117928.db2.gz QGJPNEZHWHVGSJ-UHFFFAOYSA-N 0 0 283.331 3.198 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)CC(F)F)cc1 ZINC001182966015 810133259 /nfs/dbraw/zinc/13/32/59/810133259.db2.gz GRJDLLLAVZOQGO-UHFFFAOYSA-N 0 0 290.313 3.457 20 10 CGCDRN COCCN(CCC1CCC1)c1ccc(OC)c(OC)c1 ZINC001191611201 810728163 /nfs/dbraw/zinc/72/81/63/810728163.db2.gz YRLJFWMSRUKHMP-UHFFFAOYSA-N 0 0 293.407 3.347 20 10 CGCDRN CCN(C[C@H]1CC[C@H](C2CC2)O1)c1ccc(OC)cc1 ZINC001191840436 810750085 /nfs/dbraw/zinc/75/00/85/810750085.db2.gz YXAHLUYMKVAUOX-IAGOWNOFSA-N 0 0 275.392 3.479 20 10 CGCDRN Cc1ccc(OC(=O)Nc2cccc(O)c2O)cc1 ZINC001194460052 811079556 /nfs/dbraw/zinc/07/95/56/811079556.db2.gz YRVPMWDFOJXOBN-UHFFFAOYSA-N 0 0 259.261 3.017 20 10 CGCDRN CCC(CC)COC(=O)NCc1ccc(N(C)C)cc1 ZINC001194724983 811118531 /nfs/dbraw/zinc/11/85/31/811118531.db2.gz VJWYFKNJOVSXRZ-UHFFFAOYSA-N 0 0 278.396 3.415 20 10 CGCDRN CC[C@H](C)COC(=O)N(CC)Cc1ccccc1O ZINC001194792801 811134560 /nfs/dbraw/zinc/13/45/60/811134560.db2.gz JWKAYXNNKKWUKE-LBPRGKRZSA-N 0 0 265.353 3.397 20 10 CGCDRN Cc1cc(C)c(CNC(=O)OCCC(C)C)c(O)c1 ZINC001194900468 811166198 /nfs/dbraw/zinc/16/61/98/811166198.db2.gz HKSXSVNAFDETJN-UHFFFAOYSA-N 0 0 265.353 3.281 20 10 CGCDRN N#CNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278511 811236475 /nfs/dbraw/zinc/23/64/75/811236475.db2.gz HQKXQFUCOUWXFW-ISLYRVAYSA-N 0 0 266.260 3.018 20 10 CGCDRN Nc1ccc(Nc2ccc(OC(F)(F)F)c(CO)c2)cc1 ZINC001214833044 815455350 /nfs/dbraw/zinc/45/53/50/815455350.db2.gz DNTRBWDLCWDFLH-UHFFFAOYSA-N 0 0 298.264 3.403 20 10 CGCDRN CC(C)Nc1ccc(Nc2ccc3[nH]c(=O)cnc3c2)cc1 ZINC001201505840 811873126 /nfs/dbraw/zinc/87/31/26/811873126.db2.gz RHCCZTGDBWADJO-UHFFFAOYSA-N 0 0 294.358 3.487 20 10 CGCDRN O=c1[nH]c2ccccc2cc1Nc1cccc(O)c1O ZINC001201759474 811963615 /nfs/dbraw/zinc/96/36/15/811963615.db2.gz ZEXFVDMQAIFHEO-UHFFFAOYSA-N 0 0 268.272 3.095 20 10 CGCDRN Cc1ccccc1NC(=O)NCc1cccc(C)c1O ZINC001202194724 812037326 /nfs/dbraw/zinc/03/73/26/812037326.db2.gz RJCVULORRFBJAT-UHFFFAOYSA-N 0 0 270.332 3.331 20 10 CGCDRN Cc1cc(C)cc(-c2noc(-c3cc(O)c(O)c(O)c3)n2)c1 ZINC001215327644 815506790 /nfs/dbraw/zinc/50/67/90/815506790.db2.gz MBMNWFARXCLQFY-UHFFFAOYSA-N 0 0 298.298 3.137 20 10 CGCDRN Nc1ccc(N(CCO)c2coc3ccccc32)cc1 ZINC001203155187 812255199 /nfs/dbraw/zinc/25/51/99/812255199.db2.gz WHBMCFRWLYBLKD-UHFFFAOYSA-N 0 0 268.316 3.145 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1nn(C)cc1Cl ZINC001203478630 812372066 /nfs/dbraw/zinc/37/20/66/812372066.db2.gz GJNYMOYJSPTFAQ-UHFFFAOYSA-N 0 0 288.782 3.486 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001203556632 812390121 /nfs/dbraw/zinc/39/01/21/812390121.db2.gz RYMJDGIKKIMKJS-KRWDZBQOSA-N 0 0 283.371 3.183 20 10 CGCDRN COc1ccc2c(c1)C[N@@H+](Cc1ccccc1O)CCC2 ZINC001203561118 812392011 /nfs/dbraw/zinc/39/20/11/812392011.db2.gz LPYNPJKOMYHNSF-UHFFFAOYSA-N 0 0 283.371 3.349 20 10 CGCDRN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203582179 812399133 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O=C(NCc1c(O)cccc1F)c1cccc2cccnc21 ZINC001456086739 937425671 /nfs/dbraw/zinc/42/56/71/937425671.db2.gz HEJXQBLXDRUWBO-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN C[C@@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001457034469 937437955 /nfs/dbraw/zinc/43/79/55/937437955.db2.gz GKCDGPIWDKNNGF-LLVKDONJSA-N 0 0 289.762 3.466 20 10 CGCDRN C[C@@H]1OCC[C@@H]1CN1CCCc2cc(OC(F)F)ccc21 ZINC001459678240 937496226 /nfs/dbraw/zinc/49/62/26/937496226.db2.gz RYSDHCVXFRYZCX-WCQYABFASA-N 0 0 297.345 3.466 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cnc2[nH]ccc2c1 ZINC001461748704 937595246 /nfs/dbraw/zinc/59/52/46/937595246.db2.gz DLOWPDXIYXGFJZ-UHFFFAOYSA-N 0 0 273.723 3.486 20 10 CGCDRN CCCC[N@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC001461897280 937604658 /nfs/dbraw/zinc/60/46/58/937604658.db2.gz LKWNCQWUFOXMQE-UHFFFAOYSA-N 0 0 255.308 3.435 20 10 CGCDRN C[C@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])c1nccs1 ZINC001462062308 937615893 /nfs/dbraw/zinc/61/58/93/937615893.db2.gz GBXAQANFHKEVFD-MRVPVSSYSA-N 0 0 284.331 3.020 20 10 CGCDRN CC(C)Oc1cccnc1NCc1cc(F)ccc1O ZINC001462108231 937618261 /nfs/dbraw/zinc/61/82/61/937618261.db2.gz XWXGSTWPNLUUAB-UHFFFAOYSA-N 0 0 276.311 3.326 20 10 CGCDRN Nc1ccc(-n2cc(CCCc3ccccc3)nn2)cc1 ZINC001254080833 932723636 /nfs/dbraw/zinc/72/36/36/932723636.db2.gz XTXUXIHHCMHWSD-UHFFFAOYSA-N 0 0 278.359 3.025 20 10 CGCDRN COCC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CC[C@@H](C)C1 ZINC001462173299 937622799 /nfs/dbraw/zinc/62/27/99/937622799.db2.gz BOIDWXYUPZKUSI-RISCZKNCSA-N 0 0 299.361 3.307 20 10 CGCDRN CC1(C)C(C)(C)C1(C)C(=O)NCc1c(O)cccc1F ZINC001303876101 932836197 /nfs/dbraw/zinc/83/61/97/932836197.db2.gz UWCLCVHRVNAOLK-UHFFFAOYSA-N 0 0 279.355 3.220 20 10 CGCDRN COc1ccc(N(C)C[C@]2(C)CCCCO2)cc1OC ZINC001462384573 937636477 /nfs/dbraw/zinc/63/64/77/937636477.db2.gz PPWMVDZIFAWZJG-INIZCTEOSA-N 0 0 279.380 3.099 20 10 CGCDRN Clc1cnc(SCc2cn3cccnc3n2)s1 ZINC001307377928 932944783 /nfs/dbraw/zinc/94/47/83/932944783.db2.gz VUUBTLIFINXVTJ-UHFFFAOYSA-N 0 0 282.781 3.132 20 10 CGCDRN C[C@H]1CCCC[C@H]1OCCN(C)c1ccc2c(c1)OCO2 ZINC001307587158 932972663 /nfs/dbraw/zinc/97/26/63/932972663.db2.gz SWGQDYBIGZYICG-DZGCQCFKSA-N 0 0 291.391 3.447 20 10 CGCDRN C[C@@H]1C[C@H](CN(C)c2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC001307585097 932973867 /nfs/dbraw/zinc/97/38/67/932973867.db2.gz IFNCZLRZXXJZEC-ITGUQSILSA-N 0 0 277.364 3.055 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC001462537393 937648444 /nfs/dbraw/zinc/64/84/44/937648444.db2.gz ZQLOKWDOMWAZDV-UHFFFAOYSA-N 0 0 288.297 3.442 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@]1(C)CCCCO1 ZINC001308675089 933155240 /nfs/dbraw/zinc/15/52/40/933155240.db2.gz STRLJBCVAHDSKD-QGZVFWFLSA-N 0 0 275.392 3.407 20 10 CGCDRN Cc1cccc(O)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001465034051 937697504 /nfs/dbraw/zinc/69/75/04/937697504.db2.gz WGMYPWOUARLOND-UHFFFAOYSA-N 0 0 298.386 3.005 20 10 CGCDRN Cc1cccc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)c1C ZINC001465038975 937697517 /nfs/dbraw/zinc/69/75/17/937697517.db2.gz XLLBGXXVHPCNCS-ZDUSSCGKSA-N 0 0 299.370 3.135 20 10 CGCDRN C=C/C=C/CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001467259091 937716422 /nfs/dbraw/zinc/71/64/22/937716422.db2.gz CAOZTJVRWUAKTP-YBJDMEARSA-N 0 0 258.365 3.062 20 10 CGCDRN O=C(NCc1ccccc1O)c1cnn(C2CCCCC2)c1 ZINC001319259555 933848176 /nfs/dbraw/zinc/84/81/76/933848176.db2.gz IEGQTZDRSUPSHF-UHFFFAOYSA-N 0 0 299.374 3.024 20 10 CGCDRN Cc1cc(CC(=O)NOCC2CC2)c(C)n1-c1ccccc1 ZINC001468392783 937727486 /nfs/dbraw/zinc/72/74/86/937727486.db2.gz RFALOJVLLIMTKR-UHFFFAOYSA-N 0 0 298.386 3.094 20 10 CGCDRN C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1ccccc1O ZINC001320017705 933979163 /nfs/dbraw/zinc/97/91/63/933979163.db2.gz YJEXQKBSQQFYKM-HNNXBMFYSA-N 0 0 296.414 3.323 20 10 CGCDRN Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)c(C)[nH]1 ZINC001323483249 934401453 /nfs/dbraw/zinc/40/14/53/934401453.db2.gz OAUPCNYLIFZADT-UHFFFAOYSA-N 0 0 290.710 3.073 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1ccc(C(F)F)cc1 ZINC001471975223 937771215 /nfs/dbraw/zinc/77/12/15/937771215.db2.gz USJDBBCJLGZSQK-UHFFFAOYSA-N 0 0 295.260 3.399 20 10 CGCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001471975720 937771389 /nfs/dbraw/zinc/77/13/89/937771389.db2.gz FAYAZZABJYHFTJ-VXGBXAGGSA-N 0 0 279.355 3.364 20 10 CGCDRN CCN(C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(OC)cc1 ZINC001473247126 937798878 /nfs/dbraw/zinc/79/88/78/937798878.db2.gz PMJZCLMKQYZRRH-XOKHGSTOSA-N 0 0 275.392 3.479 20 10 CGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCF ZINC001473569208 937811871 /nfs/dbraw/zinc/81/18/71/937811871.db2.gz FDIVPILYQSBTTN-ZDUSSCGKSA-N 0 0 251.345 3.299 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)sc2C)cc1 ZINC001326388393 934975850 /nfs/dbraw/zinc/97/58/50/934975850.db2.gz QKAKXZZYPCXTFJ-UHFFFAOYSA-N 0 0 262.378 3.405 20 10 CGCDRN C(=C\c1cnccn1)\c1ccc(N2CCCC2)cc1 ZINC001327889185 935095194 /nfs/dbraw/zinc/09/51/94/935095194.db2.gz OPSYICNTJZOQEQ-UTCJRWHESA-N 0 0 251.333 3.247 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)O[C@H](C)CC(C)C)c1 ZINC001331572686 935395137 /nfs/dbraw/zinc/39/51/37/935395137.db2.gz CCANHTQCJZLCDY-GFCCVEGCSA-N 0 0 265.353 3.361 20 10 CGCDRN CCc1nccc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001331602268 935397805 /nfs/dbraw/zinc/39/78/05/935397805.db2.gz UZFLJCGZPXNWEY-LBPRGKRZSA-N 0 0 270.380 3.278 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C23CCC(CC2)CC3)cc1 ZINC001335539147 936151891 /nfs/dbraw/zinc/15/18/91/936151891.db2.gz GCMAAXZUPOJRCQ-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN C[C@@H](c1cccs1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001335736472 936156860 /nfs/dbraw/zinc/15/68/60/936156860.db2.gz AMJAMDALCLXBGE-NSHDSACASA-N 0 0 289.404 3.233 20 10 CGCDRN COc1ccc(C[N@H+](C)[C@@H](C)c2ccco2)c(O)c1OC ZINC001336672895 936205377 /nfs/dbraw/zinc/20/53/77/936205377.db2.gz JTCJIOMFTMGOON-NSHDSACASA-N 0 0 291.347 3.195 20 10 CGCDRN CCC[C@H](NC(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001336876158 936224302 /nfs/dbraw/zinc/22/43/02/936224302.db2.gz BYUYZJNLBJRDSQ-INIZCTEOSA-N 0 0 289.423 3.427 20 10 CGCDRN CCC[C@]1(C)CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337070828 936235800 /nfs/dbraw/zinc/23/58/00/936235800.db2.gz XLMIPTZDLRHAMS-QGZVFWFLSA-N 0 0 289.423 3.381 20 10 CGCDRN CCc1cc(CNCc2ccc(N3CCCC3)cc2)on1 ZINC001474020732 937836002 /nfs/dbraw/zinc/83/60/02/937836002.db2.gz OWYGIRZDXNNTOA-UHFFFAOYSA-N 0 0 285.391 3.127 20 10 CGCDRN Cc1ccc(CN2C[C@@H](C)Oc3ccccc32)c(O)c1 ZINC001474417206 937858824 /nfs/dbraw/zinc/85/88/24/937858824.db2.gz CCZYCNWOCWGEEN-CYBMUJFWSA-N 0 0 269.344 3.488 20 10 CGCDRN Oc1cc(Cl)ccc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001474546799 937866410 /nfs/dbraw/zinc/86/64/10/937866410.db2.gz PNECJYCGTHWHMC-JKSUJKDBSA-N 0 0 293.794 3.189 20 10 CGCDRN COc1ccc(N(C)Cc2cc(F)ncc2F)cc1 ZINC001474613608 937870866 /nfs/dbraw/zinc/87/08/66/937870866.db2.gz HLVPXNMXZVKMMW-UHFFFAOYSA-N 0 0 264.275 3.005 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1ccc(C)cc1O)C1CCCCC1 ZINC001474645801 937872922 /nfs/dbraw/zinc/87/29/22/937872922.db2.gz MJTMHDJOHZIYTD-KRWDZBQOSA-N 0 0 277.408 3.386 20 10 CGCDRN COc1cc(C)c(CNc2nc3ccccc3n2C)c(O)c1 ZINC001474763046 937879703 /nfs/dbraw/zinc/87/97/03/937879703.db2.gz RRCJWJLGINUYRU-UHFFFAOYSA-N 0 0 297.358 3.208 20 10 CGCDRN O=C(NCc1c(O)cccc1F)OCCc1ccccc1 ZINC001475707071 937884938 /nfs/dbraw/zinc/88/49/38/937884938.db2.gz MDYOMAXWWULKQL-UHFFFAOYSA-N 0 0 289.306 3.000 20 10 CGCDRN CC(C)[C@H](F)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001523552753 938040182 /nfs/dbraw/zinc/04/01/82/938040182.db2.gz BIUJQSXDZFHNHJ-INIZCTEOSA-N 0 0 292.398 3.239 20 10 CGCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)CCC2 ZINC001533906377 938092981 /nfs/dbraw/zinc/09/29/81/938092981.db2.gz VWUVQIWWQNFZDY-RMKNXTFCSA-N 0 0 294.354 3.083 20 10 CGCDRN CCCCN(C(=O)/C=C\c1cccnc1)c1ccccn1 ZINC001534478692 938096525 /nfs/dbraw/zinc/09/65/25/938096525.db2.gz RVUMNWTZNDUHGQ-KTKRTIGZSA-N 0 0 281.359 3.323 20 10 CGCDRN CN(C(=O)/C=C\c1cccnc1)c1nsc2ccccc21 ZINC001538690697 938120105 /nfs/dbraw/zinc/12/01/05/938120105.db2.gz ZHQSPERKFNABQP-HJWRWDBZSA-N 0 0 295.367 3.368 20 10 CGCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCCC1 ZINC001556141382 938202027 /nfs/dbraw/zinc/20/20/27/938202027.db2.gz KBAACPPHPWTTMB-LBPRGKRZSA-N 0 0 291.391 3.115 20 10 CGCDRN Cc1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001557386146 938209644 /nfs/dbraw/zinc/20/96/44/938209644.db2.gz PLIATXQYIUAFPP-UHFFFAOYSA-N 0 0 289.762 3.213 20 10 CGCDRN C/C(=C\C(=O)NCc1c(O)cccc1O)c1ccccc1C ZINC001558534591 938216096 /nfs/dbraw/zinc/21/60/96/938216096.db2.gz VQTGRRVGYLYMNG-JLHYYAGUSA-N 0 0 297.354 3.126 20 10 CGCDRN CCc1cc(CNCc2c(C)c3ccccc3n2C)on1 ZINC001560349457 938254460 /nfs/dbraw/zinc/25/44/60/938254460.db2.gz KYUXNCFAYAUNII-UHFFFAOYSA-N 0 0 283.375 3.327 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC001560701330 938271187 /nfs/dbraw/zinc/27/11/87/938271187.db2.gz JWJOQMTWQMOEOG-CQSZACIVSA-N 0 0 278.302 3.336 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC001560732203 938273075 /nfs/dbraw/zinc/27/30/75/938273075.db2.gz GILKVHORXRXFGA-DZGCQCFKSA-N 0 0 281.783 3.093 20 10 CGCDRN C[C@H]1COC(C)(C)CN1Cc1ccc(Cl)cc1O ZINC001560806394 938276896 /nfs/dbraw/zinc/27/68/96/938276896.db2.gz JXNHOEYBDVYWDB-JTQLQIEISA-N 0 0 269.772 3.045 20 10 CGCDRN COc1ccc(N(C)Cc2cc3cnccc3o2)cc1 ZINC001560918179 938283800 /nfs/dbraw/zinc/28/38/00/938283800.db2.gz LREJDZZAKFSZOF-UHFFFAOYSA-N 0 0 268.316 3.473 20 10 CGCDRN CCC(C)(C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC001563610409 938304167 /nfs/dbraw/zinc/30/41/67/938304167.db2.gz RNWAUJNDUXDNJO-UHFFFAOYSA-N 0 0 291.439 3.378 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC001603106673 972180201 /nfs/dbraw/zinc/18/02/01/972180201.db2.gz BOHPPBSEJVXLMB-MLGOLLRUSA-N 0 0 291.391 3.201 20 10 CGCDRN Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135046986 958882496 /nfs/dbraw/zinc/88/24/96/958882496.db2.gz KPMZJTNWKNPSCK-CQSZACIVSA-N 0 0 291.391 3.023 20 10 CGCDRN CCC(CC)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001595111207 960526469 /nfs/dbraw/zinc/52/64/69/960526469.db2.gz AAXMQZKIMKSXMF-UHFFFAOYSA-N 0 0 299.798 3.368 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC=CC2)cc1 ZINC001570105843 961906370 /nfs/dbraw/zinc/90/63/70/961906370.db2.gz OYPCIZXTYNNOPZ-UHFFFAOYSA-N 0 0 266.344 3.106 20 10 CGCDRN CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC001570340065 961951846 /nfs/dbraw/zinc/95/18/46/961951846.db2.gz TXSSPHMVCAGATP-QWHCGFSZSA-N 0 0 291.391 3.434 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H]2CCCc3c(F)cccc32)cc1 ZINC001580443122 962727750 /nfs/dbraw/zinc/72/77/50/962727750.db2.gz RTOYZTRNAYXPCM-QGZVFWFLSA-N 0 0 298.361 3.144 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001583992585 962880772 /nfs/dbraw/zinc/88/07/72/962880772.db2.gz MTNVSBWJBADZFO-GFCCVEGCSA-N 0 0 277.320 3.180 20 10 CGCDRN C[C@@H]([NH2+]CCCCC(=O)[O-])c1ccc2ccccc2c1O ZINC001589128271 963353359 /nfs/dbraw/zinc/35/33/59/963353359.db2.gz MNDYGDCAMUDRIU-GFCCVEGCSA-N 0 0 287.359 3.451 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1ccccc1O ZINC001589570741 963999144 /nfs/dbraw/zinc/99/91/44/963999144.db2.gz SRWGFMVICKHHCV-HNNXBMFYSA-N 0 0 285.343 3.331 20 10 CGCDRN C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1cc(Cl)ccc1O ZINC001609921861 970607366 /nfs/dbraw/zinc/60/73/66/970607366.db2.gz ZRAYUGAGBDSLSP-BMQDGWLCSA-N 0 0 297.782 3.340 20 10 CGCDRN C[C@H]([NH2+]CCCc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593268543 994594804 /nfs/dbraw/zinc/59/48/04/994594804.db2.gz WGABWLLDGXYHLL-ZDUSSCGKSA-N 0 0 299.370 3.374 20 10 CGCDRN CC(C)(C)OC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000082712952 178226400 /nfs/dbraw/zinc/22/64/00/178226400.db2.gz AXUXCBVXPARYGA-UHFFFAOYSA-N 0 0 276.380 3.312 20 10 CGCDRN C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)c(F)c1[O-] ZINC000276272210 299281371 /nfs/dbraw/zinc/28/13/71/299281371.db2.gz ZQJSRKHMKPTUIA-NSHDSACASA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000191203979 299296246 /nfs/dbraw/zinc/29/62/46/299296246.db2.gz CSEVSASSDSCMPY-LBPRGKRZSA-N 0 0 298.377 3.053 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273361933 299314137 /nfs/dbraw/zinc/31/41/37/299314137.db2.gz AORBTUBSZGLQLC-IUCAKERBSA-N 0 0 291.222 3.300 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000693139288 799808222 /nfs/dbraw/zinc/80/82/22/799808222.db2.gz NTUCEYWRNLYKPS-ZWNOBZJWSA-N 0 0 282.181 3.187 20 10 CGCDRN Cc1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000124804770 370927971 /nfs/dbraw/zinc/92/79/71/370927971.db2.gz CIIFUSRYANTMIR-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN COCCN(Cc1ccco1)Cc1c(O)cccc1Cl ZINC000124077817 370919254 /nfs/dbraw/zinc/91/92/54/370919254.db2.gz UIWHAPZFIICJNO-UHFFFAOYSA-N 0 0 295.766 3.287 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000287013033 371590278 /nfs/dbraw/zinc/59/02/78/371590278.db2.gz QMPDQGWDYWZYPF-GXFFZTMASA-N 0 0 269.772 3.265 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cccc(Cl)c1[O-] ZINC000287271643 371631640 /nfs/dbraw/zinc/63/16/40/371631640.db2.gz AYQGJLRXFVMXLD-CQSZACIVSA-N 0 0 293.798 3.328 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1cccc(Cl)c1[O-] ZINC000287874043 371714009 /nfs/dbraw/zinc/71/40/09/371714009.db2.gz YBDIKCNXEKAFHL-RISCZKNCSA-N 0 0 293.798 3.372 20 10 CGCDRN CCc1nn(C)cc1NCc1cc(Cl)c(F)cc1O ZINC000293768752 372475979 /nfs/dbraw/zinc/47/59/79/372475979.db2.gz ZRYDLFMPUJWJQT-UHFFFAOYSA-N 0 0 283.734 3.093 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)OC ZINC000294302368 372644189 /nfs/dbraw/zinc/64/41/89/372644189.db2.gz VGEKQWYAWNTLSL-LNSITVRQSA-N 0 0 263.381 3.030 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2O)C[C@H]1C ZINC000294984189 372682336 /nfs/dbraw/zinc/68/23/36/372682336.db2.gz YMPSDGHPNZRHBK-MCIONIFRSA-N 0 0 275.392 3.423 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000296384282 373113422 /nfs/dbraw/zinc/11/34/22/373113422.db2.gz JTDOWPGSXYJEEW-TZMCWYRMSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000297161719 373259162 /nfs/dbraw/zinc/25/91/62/373259162.db2.gz JULXSPAWIFJUHU-ZIAGYGMSSA-N 0 0 286.400 3.059 20 10 CGCDRN Cc1cc(C)c(CC(=O)NCc2ccc(N)cc2)c(C)c1 ZINC000297150539 373259206 /nfs/dbraw/zinc/25/92/06/373259206.db2.gz IWBMHJBUZWBVHI-UHFFFAOYSA-N 0 0 282.387 3.053 20 10 CGCDRN CC(C)(C)Oc1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC000297188971 373261770 /nfs/dbraw/zinc/26/17/70/373261770.db2.gz LQSTXFRVPWFQRP-UHFFFAOYSA-N 0 0 298.386 3.376 20 10 CGCDRN CC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298396661 373313917 /nfs/dbraw/zinc/31/39/17/373313917.db2.gz SYTQMSGPNZYLPH-ZDUSSCGKSA-N 0 0 274.408 3.290 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)c2ccco2)C2CC2)cc1 ZINC000298404000 373318134 /nfs/dbraw/zinc/31/81/34/373318134.db2.gz UQIZRBDNAVAHQF-UHFFFAOYSA-N 0 0 284.359 3.150 20 10 CGCDRN COCCCSc1ncc(-c2ccccc2)n1C ZINC000298598274 373361602 /nfs/dbraw/zinc/36/16/02/373361602.db2.gz LCIWKXFABMLFSV-UHFFFAOYSA-N 0 0 262.378 3.216 20 10 CGCDRN CC(C)Cc1nsc(Sc2nccs2)n1 ZINC000302236849 373839359 /nfs/dbraw/zinc/83/93/59/373839359.db2.gz KDTAUJDXRXVBFT-UHFFFAOYSA-N 0 0 257.409 3.344 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)c1cncc(Cl)n1 ZINC000302859067 373986454 /nfs/dbraw/zinc/98/64/54/373986454.db2.gz NYQZHBOYWMHYFX-UHFFFAOYSA-N 0 0 290.798 3.223 20 10 CGCDRN CC1CCC(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180626949 374028717 /nfs/dbraw/zinc/02/87/17/374028717.db2.gz WONLBOGWIBKAAA-UXBLZVDNSA-N 0 0 289.375 3.148 20 10 CGCDRN CC(C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180835046 374050534 /nfs/dbraw/zinc/05/05/34/374050534.db2.gz XPFITRHEZAYFBF-YVZNUBBCSA-N 0 0 289.375 3.006 20 10 CGCDRN O=C(CC1CCCCCC1)NCc1ccc(O)c(O)c1 ZINC000182543766 374286717 /nfs/dbraw/zinc/28/67/17/374286717.db2.gz CXWWZEQYEPKHSS-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN CCN(CC)c1ccc(CNc2nnc(C(F)F)o2)cc1 ZINC000189286496 375357664 /nfs/dbraw/zinc/35/76/64/375357664.db2.gz NYKJIUGGQAKAEJ-UHFFFAOYSA-N 0 0 296.321 3.466 20 10 CGCDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000189907015 375458744 /nfs/dbraw/zinc/45/87/44/375458744.db2.gz VMNMZJOCUCEPCT-GXTWGEPZSA-N 0 0 297.354 3.116 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCCc2ccccc21 ZINC000493514431 375473874 /nfs/dbraw/zinc/47/38/74/375473874.db2.gz KQHKPYVCWQQURB-BQYQJAHWSA-N 0 0 270.357 3.136 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000528858307 375912122 /nfs/dbraw/zinc/91/21/22/375912122.db2.gz CAJOMDOPSFJYOR-FZMZJTMJSA-N 0 0 289.375 3.158 20 10 CGCDRN CCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000226249221 376346211 /nfs/dbraw/zinc/34/62/11/376346211.db2.gz SCECWRYZBHXMOA-CYBMUJFWSA-N 0 0 292.206 3.340 20 10 CGCDRN CO[C@@]1(C)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000230300152 376500409 /nfs/dbraw/zinc/50/04/09/376500409.db2.gz ZDZMIWAHSQIANS-AWEZNQCLSA-N 0 0 269.772 3.047 20 10 CGCDRN CCCCO[C@@H](C)C(=O)N(CCC)Cc1ccccc1O ZINC000264085391 377956153 /nfs/dbraw/zinc/95/61/53/377956153.db2.gz MUFPMRJLSJKOBZ-AWEZNQCLSA-N 0 0 293.407 3.336 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C1CC1 ZINC000267039440 378030600 /nfs/dbraw/zinc/03/06/00/378030600.db2.gz GVUADFOPRQFGAR-ZDUSSCGKSA-N 0 0 274.408 3.147 20 10 CGCDRN Cc1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000267782115 378044895 /nfs/dbraw/zinc/04/48/95/378044895.db2.gz QKQWJIQBOFNWGG-CHWSQXEVSA-N 0 0 297.402 3.217 20 10 CGCDRN Cc1ccnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000268293425 378053202 /nfs/dbraw/zinc/05/32/02/378053202.db2.gz FGYDGOCVLWTNID-HNNXBMFYSA-N 0 0 297.402 3.400 20 10 CGCDRN CC1(CC(=O)NCc2ccccc2O)CCCCC1 ZINC000270005196 378293939 /nfs/dbraw/zinc/29/39/39/378293939.db2.gz YFPZHVPZZVJUKF-UHFFFAOYSA-N 0 0 261.365 3.369 20 10 CGCDRN COc1ccccc1C[N@H+](C)Cc1cccc(F)c1[O-] ZINC000272244961 378593857 /nfs/dbraw/zinc/59/38/57/378593857.db2.gz HGMCWFPJYQVOJS-UHFFFAOYSA-N 0 0 275.323 3.172 20 10 CGCDRN COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1 ZINC000273383245 378744089 /nfs/dbraw/zinc/74/40/89/378744089.db2.gz CIHFLBKRHVHPCH-IHRRRGAJSA-N 0 0 293.407 3.257 20 10 CGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(C)nc2)c1 ZINC000273470906 378747966 /nfs/dbraw/zinc/74/79/66/378747966.db2.gz JUEWRSLHKMRZTN-NSHDSACASA-N 0 0 286.331 3.055 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1O ZINC000371419508 379161675 /nfs/dbraw/zinc/16/16/75/379161675.db2.gz MWIVWSHNEVCCFF-CQSZACIVSA-N 0 0 261.365 3.165 20 10 CGCDRN CCC(CC)(CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000282845034 379999567 /nfs/dbraw/zinc/99/95/67/379999567.db2.gz CYWKUIDQVKFWJY-UHFFFAOYSA-N 0 0 271.788 3.076 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1C ZINC000283628387 380077954 /nfs/dbraw/zinc/07/79/54/380077954.db2.gz BGNGXTFGDANXOQ-UKRRQHHQSA-N 0 0 290.407 3.360 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc[nH]c2C2CC2)cc1 ZINC000284465073 380141277 /nfs/dbraw/zinc/14/12/77/380141277.db2.gz JMUBLZFIDVFHNP-UHFFFAOYSA-N 0 0 297.402 3.230 20 10 CGCDRN CC[C@@H]([NH2+]Cc1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000286103063 380161260 /nfs/dbraw/zinc/16/12/60/380161260.db2.gz NIOXFCDPAZGGGL-CQSZACIVSA-N 0 0 278.327 3.377 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(F)cc1[O-] ZINC000285909396 380152294 /nfs/dbraw/zinc/15/22/94/380152294.db2.gz BUJRMYGBOIWDPF-MEBBXXQBSA-N 0 0 291.370 3.235 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(F)cc1[O-] ZINC000285909400 380153633 /nfs/dbraw/zinc/15/36/33/380153633.db2.gz BUJRMYGBOIWDPF-ZUZCIYMTSA-N 0 0 291.370 3.235 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1nc(C)nc(C)c1C ZINC000359834549 381373593 /nfs/dbraw/zinc/37/35/93/381373593.db2.gz HOMJJRKBLNVRIU-UHFFFAOYSA-N 0 0 294.402 3.236 20 10 CGCDRN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1O ZINC000282175433 392284717 /nfs/dbraw/zinc/28/47/17/392284717.db2.gz FFZHHQXVAQGNLZ-ZWNOBZJWSA-N 0 0 299.798 3.054 20 10 CGCDRN CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000285661181 392328666 /nfs/dbraw/zinc/32/86/66/392328666.db2.gz MVGPQOPICOYCOJ-MRXNPFEDSA-N 0 0 292.398 3.199 20 10 CGCDRN CCc1nc(CN(C)c2ccc3c(c2)OCO3)cs1 ZINC000121306580 392412024 /nfs/dbraw/zinc/41/20/24/392412024.db2.gz UCHKSFXJICJYAQ-UHFFFAOYSA-N 0 0 276.361 3.071 20 10 CGCDRN COc1ccc(O)c(CNc2ccnc(C(C)(C)C)n2)c1 ZINC000301577442 392594954 /nfs/dbraw/zinc/59/49/54/392594954.db2.gz MPQGPRDVWQXAKB-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN O=C(CC1CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000173466192 392625544 /nfs/dbraw/zinc/62/55/44/392625544.db2.gz IOQCYTVGRPJSLR-UHFFFAOYSA-N 0 0 272.392 3.093 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1O ZINC000179462282 392702547 /nfs/dbraw/zinc/70/25/47/392702547.db2.gz IYSNPPXHIGQWLX-AWEZNQCLSA-N 0 0 297.354 3.036 20 10 CGCDRN CCOc1ccc(O)c(CN2CCn3cccc3[C@H]2C)c1 ZINC000179568473 392703597 /nfs/dbraw/zinc/70/35/97/392703597.db2.gz ZWYVKASIQRKJAN-CYBMUJFWSA-N 0 0 286.375 3.169 20 10 CGCDRN Oc1c(F)cccc1CN1CCOC[C@H]1c1ccccc1 ZINC000374902226 392716156 /nfs/dbraw/zinc/71/61/56/392716156.db2.gz XRGAPDOLIDHWMT-INIZCTEOSA-N 0 0 287.334 3.105 20 10 CGCDRN Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000271051371 393243540 /nfs/dbraw/zinc/24/35/40/393243540.db2.gz WFKRWNPYMHZGMA-GOSISDBHSA-N 0 0 283.371 3.274 20 10 CGCDRN CCN(CC1CCC(=O)CC1)c1ccc(OC)c(OC)c1 ZINC000295629514 397672669 /nfs/dbraw/zinc/67/26/69/397672669.db2.gz BUEQDUXSRFEFBQ-UHFFFAOYSA-N 0 0 291.391 3.289 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000301911545 286248722 /nfs/dbraw/zinc/24/87/22/286248722.db2.gz GPQDSSNZFSRYAP-QWRGUYRKSA-N 0 0 294.351 3.094 20 10 CGCDRN CN(C)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000007366210 170279462 /nfs/dbraw/zinc/27/94/62/170279462.db2.gz WNAULUPUJIDPGK-UHFFFAOYSA-N 0 0 271.320 3.273 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000020207304 171072694 /nfs/dbraw/zinc/07/26/94/171072694.db2.gz KPCKCLWNSGTXPU-UFBFGSQYSA-N 0 0 290.190 3.356 20 10 CGCDRN COc1cc(Nc2ccc(N)cc2)cc(OC)c1OC ZINC000034964418 171907719 /nfs/dbraw/zinc/90/77/19/171907719.db2.gz LIWURSLRCACVLO-UHFFFAOYSA-N 0 0 274.320 3.038 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000184839566 262030821 /nfs/dbraw/zinc/03/08/21/262030821.db2.gz OAPJIFDKRJBVFV-JKSUJKDBSA-N 0 0 274.408 3.003 20 10 CGCDRN CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184841776 262030867 /nfs/dbraw/zinc/03/08/67/262030867.db2.gz VRNDWBDBBTZNNL-JGVFFNPUSA-N 0 0 278.179 3.121 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000363936610 262041345 /nfs/dbraw/zinc/04/13/45/262041345.db2.gz YQJUSAXAPQOYJD-UHFFFAOYSA-N 0 0 281.783 3.048 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185644112 262063454 /nfs/dbraw/zinc/06/34/54/262063454.db2.gz QXHACFHGKZDFBT-XFBWCDHKSA-N 0 0 281.371 3.123 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2C=CCCC2)cc1 ZINC000186255133 262085942 /nfs/dbraw/zinc/08/59/42/262085942.db2.gz XGLWLFUTPXBTFU-CQSZACIVSA-N 0 0 272.392 3.115 20 10 CGCDRN CCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCCC1 ZINC000186431681 262092799 /nfs/dbraw/zinc/09/27/99/262092799.db2.gz XHEJFJVZDNTBRS-GFCCVEGCSA-N 0 0 291.391 3.115 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccccc1O ZINC000186421340 262092891 /nfs/dbraw/zinc/09/28/91/262092891.db2.gz WJRJAHGNOQZTEQ-ZIAGYGMSSA-N 0 0 275.348 3.150 20 10 CGCDRN CCOC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000189353703 264293012 /nfs/dbraw/zinc/29/30/12/264293012.db2.gz QZCPACVRAQYNMZ-SMDDNHRTSA-N 0 0 269.360 3.243 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000290018427 264388405 /nfs/dbraw/zinc/38/84/05/264388405.db2.gz CAHUYARXLFAKLB-LBPRGKRZSA-N 0 0 251.370 3.106 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccno1 ZINC000363030726 267073769 /nfs/dbraw/zinc/07/37/69/267073769.db2.gz BTMWTDLYFURPGU-UHFFFAOYSA-N 0 0 280.274 3.229 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(Cl)c1[O-] ZINC000287613492 288045410 /nfs/dbraw/zinc/04/54/10/288045410.db2.gz JJQJOKWNYMINIV-FZMZJTMJSA-N 0 0 282.815 3.181 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000286182035 288084119 /nfs/dbraw/zinc/08/41/19/288084119.db2.gz QJYNHKBLCWXHOF-PELKAZGASA-N 0 0 295.383 3.493 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273586041 289970818 /nfs/dbraw/zinc/97/08/18/289970818.db2.gz NTSWKAOGNMAGCR-IINYFYTJSA-N 0 0 296.392 3.237 20 10 CGCDRN CC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCCC1 ZINC000184990738 327835757 /nfs/dbraw/zinc/83/57/57/327835757.db2.gz RNSJATYOZASZHU-JSGCOSHPSA-N 0 0 280.387 3.056 20 10 CGCDRN CCC[C@](C)(O)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000285986970 328248712 /nfs/dbraw/zinc/24/87/12/328248712.db2.gz HXFILXQVDILEAX-HIFRSBDPSA-N 0 0 269.360 3.123 20 10 CGCDRN Cc1c(/C=C\C(=O)N(C)c2cccc(C)c2C)cnn1C ZINC000255281644 326961620 /nfs/dbraw/zinc/96/16/20/326961620.db2.gz VRKFZXIRSITLCF-KTKRTIGZSA-N 0 0 283.375 3.022 20 10 CGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(F)cc1 ZINC000104286104 328778810 /nfs/dbraw/zinc/77/88/10/328778810.db2.gz BNOHLDRRCKGRHU-FARCUNLSSA-N 0 0 274.270 3.036 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2CC1=CCCOC1 ZINC000184748688 329261061 /nfs/dbraw/zinc/26/10/61/329261061.db2.gz HRUQXAQUMFELFC-UHFFFAOYSA-N 0 0 295.329 3.387 20 10 CGCDRN Cc1noc(COc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000421198301 329807511 /nfs/dbraw/zinc/80/75/11/329807511.db2.gz LFZFYHQAZIFWAY-UHFFFAOYSA-N 0 0 271.320 3.066 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H]2CCO[C@H]21 ZINC000253354012 329962411 /nfs/dbraw/zinc/96/24/11/329962411.db2.gz XTILVSSKXSGNGX-MCCGJVOXSA-N 0 0 299.773 3.088 20 10 CGCDRN CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000528000967 330299897 /nfs/dbraw/zinc/29/98/97/330299897.db2.gz TWXIGFWQYKKLOO-VQISRLSMSA-N 0 0 267.344 3.138 20 10 CGCDRN CC[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(F)cc1[O-] ZINC000528004386 330300331 /nfs/dbraw/zinc/30/03/31/330300331.db2.gz FXXCSRZPUNJRHF-WZUUSUIZSA-N 0 0 281.371 3.384 20 10 CGCDRN CCCC[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000499890000 332595376 /nfs/dbraw/zinc/59/53/76/332595376.db2.gz VWFRXEFHWFMYFH-ZDUSSCGKSA-N 0 0 290.407 3.304 20 10 CGCDRN CCc1nn(C)cc1N[C@H](CC)c1ccccc1O ZINC000229569058 333306209 /nfs/dbraw/zinc/30/62/09/333306209.db2.gz DGJIANGDNNYLIH-GFCCVEGCSA-N 0 0 259.353 3.251 20 10 CGCDRN CC(C)(Cc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC000297129675 519288792 /nfs/dbraw/zinc/28/87/92/519288792.db2.gz HHIKNQRNPJTHFK-UHFFFAOYSA-N 0 0 282.387 3.154 20 10 CGCDRN CC(C)N(C)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000236693221 519634044 /nfs/dbraw/zinc/63/40/44/519634044.db2.gz KCVGVJGEVJPPRW-UHFFFAOYSA-N 0 0 297.402 3.295 20 10 CGCDRN CC/C=C(\C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000299386664 520190382 /nfs/dbraw/zinc/19/03/82/520190382.db2.gz PPQLTYOTZAIUSK-AWNIVKPZSA-N 0 0 272.392 3.042 20 10 CGCDRN CCC[C@@H](O)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287677566 520807967 /nfs/dbraw/zinc/80/79/67/520807967.db2.gz MNMASUNHSJIAPA-ZWNOBZJWSA-N 0 0 271.788 3.247 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1coc(C)c1 ZINC000275587469 521319923 /nfs/dbraw/zinc/31/99/23/521319923.db2.gz OEWSCNLBESOBMX-UHFFFAOYSA-N 0 0 286.375 3.316 20 10 CGCDRN CCOc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000042880242 521398026 /nfs/dbraw/zinc/39/80/26/521398026.db2.gz FNLPMJATJQZKGI-UHFFFAOYSA-N 0 0 287.315 3.132 20 10 CGCDRN CCN1C(=O)/C(=C/c2ccc(COC)cc2)SC1=S ZINC000265998640 521511989 /nfs/dbraw/zinc/51/19/89/521511989.db2.gz IESDMZHOFLTQHH-WQLSENKSSA-N 0 0 293.413 3.054 20 10 CGCDRN CCC(CC)N(CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292221637 521546352 /nfs/dbraw/zinc/54/63/52/521546352.db2.gz QPEBHRXOSVXNPV-CSKARUKUSA-N 0 0 277.364 3.148 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC1CCC2(CC2)CC1 ZINC000277698936 523379825 /nfs/dbraw/zinc/37/98/25/523379825.db2.gz WDQKPNMISXXXRJ-UHFFFAOYSA-N 0 0 288.391 3.256 20 10 CGCDRN CO[C@@H](C)c1nc(COc2ccc(N(C)C)cc2)cs1 ZINC000277721183 523476985 /nfs/dbraw/zinc/47/69/85/523476985.db2.gz GWRWNBCWUOZZKP-NSHDSACASA-N 0 0 292.404 3.496 20 10 CGCDRN C[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000047035554 524146441 /nfs/dbraw/zinc/14/64/41/524146441.db2.gz LJLDHYFULJIZDB-GXTWGEPZSA-N 0 0 276.380 3.112 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(CCO)cc2)c1 ZINC000040738089 524774803 /nfs/dbraw/zinc/77/48/03/524774803.db2.gz UKVLIYDLOXDRDP-LBPRGKRZSA-N 0 0 287.359 3.109 20 10 CGCDRN COc1ccsc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000268704304 524870695 /nfs/dbraw/zinc/87/06/95/524870695.db2.gz AWBSJIRIMVZIBC-POHAHGRESA-N 0 0 297.426 3.120 20 10 CGCDRN C[C@H]([NH2+]CC1CCSCC1)c1ccc(F)c(F)c1[O-] ZINC000276978214 525324544 /nfs/dbraw/zinc/32/45/44/525324544.db2.gz VKJHMXTWVULWOL-VIFPVBQESA-N 0 0 287.375 3.464 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(F)c(F)c1[O-] ZINC000279681168 525484912 /nfs/dbraw/zinc/48/49/12/525484912.db2.gz AAULYPAXESXMQY-BDAKNGLRSA-N 0 0 273.348 3.074 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000265289695 525936275 /nfs/dbraw/zinc/93/62/75/525936275.db2.gz ZKBZCDWYYAPVLJ-CYBMUJFWSA-N 0 0 276.424 3.393 20 10 CGCDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237643916 526220631 /nfs/dbraw/zinc/22/06/31/526220631.db2.gz BGAPYPUKPNKOGM-DOMZBBRYSA-N 0 0 274.408 3.142 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCc2occc2C1 ZINC000290162836 526329080 /nfs/dbraw/zinc/32/90/80/526329080.db2.gz LZQUNHIKIZVSIO-UHFFFAOYSA-N 0 0 261.296 3.073 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290363274 526329970 /nfs/dbraw/zinc/32/99/70/526329970.db2.gz AAVCIAWGKHNISM-ZBFHGGJFSA-N 0 0 291.366 3.065 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccsc1 ZINC000280050224 526772395 /nfs/dbraw/zinc/77/23/95/526772395.db2.gz GHOFZAYTZZWMPS-GFCCVEGCSA-N 0 0 289.356 3.137 20 10 CGCDRN Nc1ccc(CC(=O)NC[C@H]2CCCc3ccccc32)cc1 ZINC000237904543 527476905 /nfs/dbraw/zinc/47/69/05/527476905.db2.gz SJOMHWDZIBPTJI-MRXNPFEDSA-N 0 0 294.398 3.048 20 10 CGCDRN CCN(CC)c1ccc(CNc2ncc(C)cn2)cc1F ZINC000301836113 528308366 /nfs/dbraw/zinc/30/83/66/528308366.db2.gz UWKICRBCVBGZTO-UHFFFAOYSA-N 0 0 288.370 3.382 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N2CCC(C)(C)CC2)cc1 ZINC000726977944 571696295 /nfs/dbraw/zinc/69/62/95/571696295.db2.gz FYDDQTONRWKLOD-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN Cc1cc(C[N@H+](CC(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC000738229191 572367949 /nfs/dbraw/zinc/36/79/49/572367949.db2.gz AGFIAHPNNOJAGM-UHFFFAOYSA-N 0 0 291.391 3.047 20 10 CGCDRN Cc1cc(C(=O)OCCF)c(C)n1-c1ccc(F)cc1 ZINC000739325301 572409926 /nfs/dbraw/zinc/40/99/26/572409926.db2.gz RSXCYFJITKGGAT-UHFFFAOYSA-N 0 0 279.286 3.360 20 10 CGCDRN CCOc1ccc(N(C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000739923767 572426686 /nfs/dbraw/zinc/42/66/86/572426686.db2.gz LAKAQPVYXYKYQT-UHFFFAOYSA-N 0 0 298.386 3.469 20 10 CGCDRN CN(C)c1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000731870641 572430022 /nfs/dbraw/zinc/43/00/22/572430022.db2.gz LVXDAZFFZAKYJL-UHFFFAOYSA-N 0 0 296.779 3.425 20 10 CGCDRN O=C(N[C@H](c1ccccc1)C1CC1)C1=CC(=O)CS1 ZINC000731867966 572433150 /nfs/dbraw/zinc/43/31/50/572433150.db2.gz FJAHDEVZJDBKPA-CQSZACIVSA-N 0 0 273.357 3.335 20 10 CGCDRN COc1ccc([C@@H](C)N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000732267049 572455043 /nfs/dbraw/zinc/45/50/43/572455043.db2.gz UGKKCHTVPWQKLG-SNVBAGLBSA-N 0 0 291.372 3.296 20 10 CGCDRN O=C(Nc1nc2c(s1)CCCC2)C1=CC(=O)CS1 ZINC000732263821 572455218 /nfs/dbraw/zinc/45/52/18/572455218.db2.gz VQVDLYZQHZCIEO-UHFFFAOYSA-N 0 0 280.374 3.041 20 10 CGCDRN O=C(N[C@@H]1CCSc2ccccc21)C1=CC(=O)CS1 ZINC000732269657 572455698 /nfs/dbraw/zinc/45/56/98/572455698.db2.gz GYMAUAJNUMHVSQ-LLVKDONJSA-N 0 0 291.397 3.421 20 10 CGCDRN O=C(Nc1cccc(-c2cc[nH]n2)c1)C1=CC(=O)CS1 ZINC000732268390 572456042 /nfs/dbraw/zinc/45/60/42/572456042.db2.gz DYAMFCCYFRBTKI-UHFFFAOYSA-N 0 0 285.328 3.096 20 10 CGCDRN Cc1cn(-c2ccccc2)nc1NC(=O)C1=CC(=O)CS1 ZINC000732290349 572459071 /nfs/dbraw/zinc/45/90/71/572459071.db2.gz ULZZQHSFOKNJTL-UHFFFAOYSA-N 0 0 299.355 3.200 20 10 CGCDRN Cc1cccc2c(CC(=O)NCc3ccccc3O)c[nH]c21 ZINC000741277711 572492265 /nfs/dbraw/zinc/49/22/65/572492265.db2.gz IRHCWAFVRDBDPG-UHFFFAOYSA-N 0 0 294.354 3.041 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)(C)C ZINC000734389637 572654692 /nfs/dbraw/zinc/65/46/92/572654692.db2.gz KVWVTXOFHFBCCO-ZDUSSCGKSA-N 0 0 288.435 3.367 20 10 CGCDRN COc1ccc(N(C)Cc2ccncc2Cl)cc1OC ZINC000743840317 572686715 /nfs/dbraw/zinc/68/67/15/572686715.db2.gz AHWVTAUKENLFRD-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN c1cc(N2CCCC2)ccc1CNc1cc2c(nn1)CCC2 ZINC000746660432 572889423 /nfs/dbraw/zinc/88/94/23/572889423.db2.gz HYAMLZUTFSCOTM-UHFFFAOYSA-N 0 0 294.402 3.178 20 10 CGCDRN CCCCCNC(=O)CN(CC)c1ccc(OCC)cc1 ZINC000747681622 572940672 /nfs/dbraw/zinc/94/06/72/572940672.db2.gz CZAKGZVTIFPKKB-UHFFFAOYSA-N 0 0 292.423 3.218 20 10 CGCDRN Cc1ccsc1CCCC(=O)NCc1ccccc1O ZINC000747976160 572957214 /nfs/dbraw/zinc/95/72/14/572957214.db2.gz VBOVTHIKBBQYJT-UHFFFAOYSA-N 0 0 289.400 3.401 20 10 CGCDRN CC(C)c1csc(NC(=O)NCc2ccccc2O)n1 ZINC000748326048 572974249 /nfs/dbraw/zinc/97/42/49/572974249.db2.gz WPAPCUVNOPEABR-UHFFFAOYSA-N 0 0 291.376 3.294 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccccc1O ZINC000748346577 572974700 /nfs/dbraw/zinc/97/47/00/572974700.db2.gz NPGAOERKNPHLAT-OLZOCXBDSA-N 0 0 261.365 3.225 20 10 CGCDRN Cc1cc(C(=O)Nc2cnoc2)c(C)n1-c1ccc(F)cc1 ZINC000749641550 573026448 /nfs/dbraw/zinc/02/64/48/573026448.db2.gz ORHFBDATELNCEB-UHFFFAOYSA-N 0 0 299.305 3.474 20 10 CGCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1O ZINC000828799913 601261435 /nfs/dbraw/zinc/26/14/35/601261435.db2.gz NLFPLHIIKHTQHS-UHFFFAOYSA-N 0 0 285.771 3.169 20 10 CGCDRN Cc1oc(C)c(C(=O)N(C)c2ccc(N)cc2)c1C ZINC000087197587 618080340 /nfs/dbraw/zinc/08/03/40/618080340.db2.gz OEHXVEPJAQMUND-UHFFFAOYSA-N 0 0 258.321 3.064 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1O ZINC000252727989 617622685 /nfs/dbraw/zinc/62/26/85/617622685.db2.gz VMMWPODUQLXCPK-WDEREUQCSA-N 0 0 279.355 3.212 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000890760846 617816251 /nfs/dbraw/zinc/81/62/51/617816251.db2.gz AWDFGIBJSAWKFR-NTZNESFSSA-N 0 0 291.778 3.264 20 10 CGCDRN CCC[C@H](CC(C)C)C(=O)NCc1ccccc1O ZINC000308093615 618162139 /nfs/dbraw/zinc/16/21/39/618162139.db2.gz WDYJGLYRPYKNRC-CYBMUJFWSA-N 0 0 263.381 3.471 20 10 CGCDRN COCCN(CCOC)c1ccc(OC2CCCC2)cc1 ZINC000075827781 618207854 /nfs/dbraw/zinc/20/78/54/618207854.db2.gz BUYDNMSBPIHGAU-UHFFFAOYSA-N 0 0 293.407 3.107 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000176128157 618355160 /nfs/dbraw/zinc/35/51/60/618355160.db2.gz RQTOEZQCAZAOPJ-LSDHHAIUSA-N 0 0 273.376 3.177 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)NCC1CCCC1 ZINC000892022664 618493755 /nfs/dbraw/zinc/49/37/55/618493755.db2.gz CYMOLHZBJCMVKP-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN C/C=C/C=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840558494 618720081 /nfs/dbraw/zinc/72/00/81/618720081.db2.gz YRDCFQQIVAODBA-WJMGZZJXSA-N 0 0 286.419 3.241 20 10 CGCDRN CCC(CC)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000053047145 618746269 /nfs/dbraw/zinc/74/62/69/618746269.db2.gz IQVLHIYZGDUANT-UHFFFAOYSA-N 0 0 292.206 3.340 20 10 CGCDRN CC(C)N(C)C(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000850000314 618753332 /nfs/dbraw/zinc/75/33/32/618753332.db2.gz QCMFIBHJRZAAJZ-SSDOTTSWSA-N 0 0 278.830 3.144 20 10 CGCDRN COC(=O)c1cnc(/C=C\c2ccc(N(C)C)cc2)s1 ZINC000255680357 618776371 /nfs/dbraw/zinc/77/63/71/618776371.db2.gz ZOAAJYBJUQUEMS-TWGQIWQCSA-N 0 0 288.372 3.166 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c(O)c1O ZINC000179516304 618793760 /nfs/dbraw/zinc/79/37/60/618793760.db2.gz LPAAKSCOYFLXOS-JQWIXIFHSA-N 0 0 277.364 3.057 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000103855347 619096817 /nfs/dbraw/zinc/09/68/17/619096817.db2.gz QVFIVYJESHNSGN-NSHDSACASA-N 0 0 298.342 3.032 20 10 CGCDRN CCOc1ccc(NC(=O)c2cccc(O)c2O)c(C)c1 ZINC000192987975 619124585 /nfs/dbraw/zinc/12/45/85/619124585.db2.gz MFRKKGXXNGIEID-UHFFFAOYSA-N 0 0 287.315 3.057 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cccc(CCO)c2)c1 ZINC000313160813 619164403 /nfs/dbraw/zinc/16/44/03/619164403.db2.gz LIKFHCBTVHCQIH-GFCCVEGCSA-N 0 0 287.359 3.109 20 10 CGCDRN Nc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1 ZINC000216240575 619231957 /nfs/dbraw/zinc/23/19/57/619231957.db2.gz IIRIKGLCWKTFGA-UHFFFAOYSA-N 0 0 254.280 3.033 20 10 CGCDRN CCc1ncc(CN(C)c2ccc(OC(C)C)cc2)cn1 ZINC000840941610 619234377 /nfs/dbraw/zinc/23/43/77/619234377.db2.gz DJKJHDCUAOZJGB-UHFFFAOYSA-N 0 0 285.391 3.463 20 10 CGCDRN CN1CCCc2cc(C=C3SC(=S)NC3=O)ccc21 ZINC000040113172 619267908 /nfs/dbraw/zinc/26/79/08/619267908.db2.gz SWTUPVMZHSVNNH-WQLSENKSSA-N 0 0 290.413 3.398 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000840963724 619283183 /nfs/dbraw/zinc/28/31/83/619283183.db2.gz TXMLNFYCFNHCPZ-VXGBXAGGSA-N 0 0 257.736 3.416 20 10 CGCDRN C[C@H](CC(F)(F)F)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000231901459 619291282 /nfs/dbraw/zinc/29/12/82/619291282.db2.gz YVPABRPZPLINOL-SSDOTTSWSA-N 0 0 267.678 3.476 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000894493832 619555652 /nfs/dbraw/zinc/55/56/52/619555652.db2.gz DZVVYKHWWJQYQA-AWEZNQCLSA-N 0 0 297.345 3.061 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCc2occc2C1 ZINC000894787495 619636031 /nfs/dbraw/zinc/63/60/31/619636031.db2.gz PPHOTXQIGUHYHC-UHFFFAOYSA-N 0 0 279.286 3.212 20 10 CGCDRN Cn1ccnc1CSc1ncc(-c2ccccc2)n1C ZINC000048872820 619648383 /nfs/dbraw/zinc/64/83/83/619648383.db2.gz JUOXXIJIACYRGG-UHFFFAOYSA-N 0 0 284.388 3.113 20 10 CGCDRN CCOc1cc(NCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000163145691 619653632 /nfs/dbraw/zinc/65/36/32/619653632.db2.gz QLCJAXNDQVDUAC-UHFFFAOYSA-N 0 0 288.303 3.311 20 10 CGCDRN COc1ccc(N(C)Cc2ccnn2C(C)C)cc1OC ZINC000793074413 619677632 /nfs/dbraw/zinc/67/76/32/619677632.db2.gz HBSHZSHCVHLXKY-UHFFFAOYSA-N 0 0 289.379 3.118 20 10 CGCDRN COc1cc(C)cc(CNc2cccc3c2OCC3)c1O ZINC000895390409 619819669 /nfs/dbraw/zinc/81/96/69/619819669.db2.gz MAQFXDZANHYWIO-UHFFFAOYSA-N 0 0 285.343 3.256 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CC(Cc2cccs2)C1 ZINC000895409967 619822863 /nfs/dbraw/zinc/82/28/63/619822863.db2.gz BKGYQCYUXMCGGR-UHFFFAOYSA-N 0 0 295.354 3.406 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cccc2c1CCC2 ZINC000896638333 620041756 /nfs/dbraw/zinc/04/17/56/620041756.db2.gz OXMHFGRMBXSATL-UHFFFAOYSA-N 0 0 271.335 3.310 20 10 CGCDRN CC(C)c1ncsc1C(=O)NCc1c(O)cccc1F ZINC000928706331 620207444 /nfs/dbraw/zinc/20/74/44/620207444.db2.gz QPFJHCGFMXVXMO-UHFFFAOYSA-N 0 0 294.351 3.041 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897496190 620354341 /nfs/dbraw/zinc/35/43/41/620354341.db2.gz KHCVMEMSROQEAV-SCZZXKLOSA-N 0 0 291.372 3.231 20 10 CGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)NCc1ccccc1O ZINC000729606856 620402418 /nfs/dbraw/zinc/40/24/18/620402418.db2.gz SJXXTGRQPWTITP-INIZCTEOSA-N 0 0 296.370 3.187 20 10 CGCDRN CCC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897807571 620435180 /nfs/dbraw/zinc/43/51/80/620435180.db2.gz CIQVBKIEDOEVCF-UHFFFAOYSA-N 0 0 291.372 3.185 20 10 CGCDRN Cc1cccc(CNc2cnn(C3CCC3)c2)c1O ZINC000897875751 620441317 /nfs/dbraw/zinc/44/13/17/620441317.db2.gz ITLMWWXGHSUCAN-UHFFFAOYSA-N 0 0 257.337 3.234 20 10 CGCDRN C[C@@H](Cc1cccnc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000897967292 620458604 /nfs/dbraw/zinc/45/86/04/620458604.db2.gz MRAZDSWQTYQSML-JTQLQIEISA-N 0 0 294.757 3.301 20 10 CGCDRN C[C@@H](CSCCF)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898214619 620488312 /nfs/dbraw/zinc/48/83/12/620488312.db2.gz FVBDQWJYUXOUHN-VIFPVBQESA-N 0 0 277.792 3.226 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160462 620484552 /nfs/dbraw/zinc/48/45/52/620484552.db2.gz GMQDZGATHLJHLF-UHFFFAOYSA-N 0 0 277.751 3.313 20 10 CGCDRN Cc1cc(C)c(CC(=O)N(C)Cc2ccccc2O)s1 ZINC000901054927 620830141 /nfs/dbraw/zinc/83/01/41/620830141.db2.gz HHEPTNRCOCEYQU-UHFFFAOYSA-N 0 0 289.400 3.272 20 10 CGCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(N)cc1 ZINC000042611255 621349574 /nfs/dbraw/zinc/34/95/74/621349574.db2.gz IPYGBUNLJDEGEQ-BXUZGUMPSA-N 0 0 261.369 3.311 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc(F)cc1[O-] ZINC000903311368 621683409 /nfs/dbraw/zinc/68/34/09/621683409.db2.gz OUMDDVLIZDHPII-BDAKNGLRSA-N 0 0 266.341 3.400 20 10 CGCDRN C(=C/c1ccc(N2CCOCC2)cc1)\c1nccs1 ZINC000905071864 622036172 /nfs/dbraw/zinc/03/61/72/622036172.db2.gz UXKMLDWVCFBXHQ-ZZXKWVIFSA-N 0 0 272.373 3.150 20 10 CGCDRN O[C@@H](CNc1ccc(Nc2ccccc2)cc1)C1(O)CCC1 ZINC000905301881 622060924 /nfs/dbraw/zinc/06/09/24/622060924.db2.gz XITIIRRBLLXCLL-KRWDZBQOSA-N 0 0 298.386 3.118 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cn(C3CC3)nn2)cc1 ZINC000906276127 622206964 /nfs/dbraw/zinc/20/69/64/622206964.db2.gz FFTIEXXIEPEPFC-UHFFFAOYSA-N 0 0 286.379 3.038 20 10 CGCDRN CCOc1cccc(CNc2ccc(Cl)nc2)c1O ZINC000149570276 622341632 /nfs/dbraw/zinc/34/16/32/622341632.db2.gz IQMGCYOGRPTFSY-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN CC1(C)CCCC[C@H]1CC(=O)NCc1ccc(O)cc1O ZINC000910950243 622510338 /nfs/dbraw/zinc/51/03/38/622510338.db2.gz UDQHMBNZICGYEY-ZDUSSCGKSA-N 0 0 291.391 3.321 20 10 CGCDRN CCOc1ccc(N(C)CCOC(C)(C)C)cc1 ZINC000150733523 622658260 /nfs/dbraw/zinc/65/82/60/622658260.db2.gz HSLVVPPCBOAWEG-UHFFFAOYSA-N 0 0 251.370 3.337 20 10 CGCDRN CCOC(=O)CCCCN(C)c1ccc(OCC)cc1 ZINC000150734141 622659515 /nfs/dbraw/zinc/65/95/15/622659515.db2.gz QLKBYBOFFHVOBQ-UHFFFAOYSA-N 0 0 279.380 3.255 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1F ZINC000058731581 622950439 /nfs/dbraw/zinc/95/04/39/622950439.db2.gz SEHTXTHBAGHIJJ-UHFFFAOYSA-N 0 0 296.729 3.068 20 10 CGCDRN CC1(C)C[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000226254830 622956180 /nfs/dbraw/zinc/95/61/80/622956180.db2.gz KARYMNBKOOMNDT-JTQLQIEISA-N 0 0 284.197 3.290 20 10 CGCDRN CC(C)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227442267 623019459 /nfs/dbraw/zinc/01/94/59/623019459.db2.gz OAMYOSQOYGWYFU-NSHDSACASA-N 0 0 292.206 3.196 20 10 CGCDRN COc1cc(Cl)cc(C[NH2+]CCCC2CC2)c1O ZINC000169088490 623024735 /nfs/dbraw/zinc/02/47/35/623024735.db2.gz SSZXDYKKKGEMND-UHFFFAOYSA-N 0 0 269.772 3.334 20 10 CGCDRN Cc1ccc(C(=O)OCCCc2ccccc2)c(O)c1O ZINC000060372765 623036933 /nfs/dbraw/zinc/03/69/33/623036933.db2.gz BEWROIBHCASHHX-UHFFFAOYSA-N 0 0 286.327 3.196 20 10 CGCDRN CCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000062576708 623248382 /nfs/dbraw/zinc/24/83/82/623248382.db2.gz MNZYBOJFTCMDPL-UHFFFAOYSA-N 0 0 270.376 3.163 20 10 CGCDRN CCN(CC)c1ccc(CNc2nnc(C)s2)cc1 ZINC000172640299 623267793 /nfs/dbraw/zinc/26/77/93/623267793.db2.gz WSVOWPQBUPYWSN-UHFFFAOYSA-N 0 0 276.409 3.305 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000173131864 623309929 /nfs/dbraw/zinc/30/99/29/623309929.db2.gz VWIAGWSWBXURNS-AGIUHOORSA-N 0 0 291.391 3.404 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(F)cc2)cc1OC ZINC000063616888 623341999 /nfs/dbraw/zinc/34/19/99/623341999.db2.gz FLDHVBUWGGEAET-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN COc1ccc(N(C)Cc2nc3ccccc3o2)cc1OC ZINC000063616891 623342089 /nfs/dbraw/zinc/34/20/89/623342089.db2.gz XYRWFZPZTVNUFO-UHFFFAOYSA-N 0 0 298.342 3.481 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1O ZINC000088706194 623487381 /nfs/dbraw/zinc/48/73/81/623487381.db2.gz YLYXDCHCYZEDEI-WDEREUQCSA-N 0 0 279.355 3.354 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cn[nH]c2)cc1 ZINC000914858431 623868536 /nfs/dbraw/zinc/86/85/36/623868536.db2.gz XVOJWPOCFILWGP-UHFFFAOYSA-N 0 0 280.331 3.070 20 10 CGCDRN Cc1cc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc(C)n1 ZINC000917091026 624237308 /nfs/dbraw/zinc/23/73/08/624237308.db2.gz FHYLGOZAJOXDJP-UHFFFAOYSA-N 0 0 296.418 3.328 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@H]2CCC3(COC3)O2)s1 ZINC000917218022 624251582 /nfs/dbraw/zinc/25/15/82/624251582.db2.gz PWKSGSDRNZIMDV-SNVBAGLBSA-N 0 0 299.461 3.481 20 10 CGCDRN Clc1cnc(SC[C@@H]2C[C@]23CCOC3)s1 ZINC000918095670 624333457 /nfs/dbraw/zinc/33/34/57/624333457.db2.gz LGLTWMAXMBUTLE-XVKPBYJWSA-N 0 0 261.799 3.315 20 10 CGCDRN CCSCCOc1ccc(N2CCCC2)cc1 ZINC000155094771 624424766 /nfs/dbraw/zinc/42/47/66/624424766.db2.gz SBSKYAYYQUXFLJ-UHFFFAOYSA-N 0 0 251.395 3.419 20 10 CGCDRN Cc1cscc1C(=O)N(C)Cc1ccccc1O ZINC000175239698 624623132 /nfs/dbraw/zinc/62/31/32/624623132.db2.gz GCJKRPDKQCPVBC-UHFFFAOYSA-N 0 0 261.346 3.034 20 10 CGCDRN C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180618210 624761050 /nfs/dbraw/zinc/76/10/50/624761050.db2.gz PABTUOILSICKNC-YPUOHESYSA-N 0 0 295.338 3.089 20 10 CGCDRN Cc1cnc(CNC(=S)Nc2ccccc2C)c(C)c1 ZINC000243886826 625023930 /nfs/dbraw/zinc/02/39/30/625023930.db2.gz ROXQZYRNANTFSV-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN COC(=O)c1ccc(F)c(CSc2nccs2)c1 ZINC000182742156 625028142 /nfs/dbraw/zinc/02/81/42/625028142.db2.gz KNEKRXOAAKWJRG-UHFFFAOYSA-N 0 0 283.349 3.361 20 10 CGCDRN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000070829244 625037856 /nfs/dbraw/zinc/03/78/56/625037856.db2.gz ABPBLNJRRGKBQG-SKDRFNHKSA-N 0 0 284.197 3.433 20 10 CGCDRN CCCCN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000071844753 625197992 /nfs/dbraw/zinc/19/79/92/625197992.db2.gz WBVJCUMMXUCTNA-VQHVLOKHSA-N 0 0 292.335 3.017 20 10 CGCDRN Cc1cc(C(=O)N(C)[C@@H](C)C2CC2)c(C)n1-c1ccccn1 ZINC000071947717 625209574 /nfs/dbraw/zinc/20/95/74/625209574.db2.gz SNBBUBGFXYNGQD-ZDUSSCGKSA-N 0 0 297.402 3.360 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC1CCCCC1 ZINC000772773022 625831374 /nfs/dbraw/zinc/83/13/74/625831374.db2.gz ANIWVFCEOJDHFW-CLFYSBASSA-N 0 0 276.332 3.235 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922583020 626016346 /nfs/dbraw/zinc/01/63/46/626016346.db2.gz SIQJDFFITFMAOI-HNNXBMFYSA-N 0 0 290.313 3.306 20 10 CGCDRN CC(C)c1ccc(NCc2cc3c(cc2O)OCO3)cn1 ZINC000922587268 626017280 /nfs/dbraw/zinc/01/72/80/626017280.db2.gz PIPCUKUXVXXKOP-UHFFFAOYSA-N 0 0 286.331 3.251 20 10 CGCDRN C[C@H]1OCCN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H]1C ZINC000164202261 626085877 /nfs/dbraw/zinc/08/58/77/626085877.db2.gz OPZQPTKVKAVYKD-NWDGAFQWSA-N 0 0 293.407 3.005 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475876 626094547 /nfs/dbraw/zinc/09/45/47/626094547.db2.gz PBZAIQLIMSODLV-NWDGAFQWSA-N 0 0 276.336 3.307 20 10 CGCDRN COc1cccc(O)c1CNc1ccc2c(c1)C[C@@H](C)O2 ZINC000922908700 626100924 /nfs/dbraw/zinc/10/09/24/626100924.db2.gz LYAYKNOHUAXCJL-LLVKDONJSA-N 0 0 285.343 3.336 20 10 CGCDRN CC(C)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000838429656 626228262 /nfs/dbraw/zinc/22/82/62/626228262.db2.gz FNMATAHSHIUWKS-UHFFFAOYSA-N 0 0 294.347 3.040 20 10 CGCDRN CC(C)C1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000838559019 626236992 /nfs/dbraw/zinc/23/69/92/626236992.db2.gz HGXQDZLZMXTSAX-ZDUSSCGKSA-N 0 0 289.423 3.301 20 10 CGCDRN COCCC1(C)C[NH+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839142425 626322953 /nfs/dbraw/zinc/32/29/53/626322953.db2.gz GFHCFEKSDVWUKS-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C12CCC2 ZINC000839180368 626326509 /nfs/dbraw/zinc/32/65/09/626326509.db2.gz CLEAVHISBRNRHJ-OLZOCXBDSA-N 0 0 299.773 3.232 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000751361138 626386075 /nfs/dbraw/zinc/38/60/75/626386075.db2.gz RXMXJMQDGPWLLF-DLBZAZTESA-N 0 0 286.419 3.147 20 10 CGCDRN CC1(C)C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751755734 626404094 /nfs/dbraw/zinc/40/40/94/626404094.db2.gz UJKWQEDAHLYZKD-MRXNPFEDSA-N 0 0 286.419 3.339 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)cn2)c(OC)c1 ZINC000752121293 626419372 /nfs/dbraw/zinc/41/93/72/626419372.db2.gz BIGOYKLOVSLYJY-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN O=C(NCCCSc1nccs1)C12CCC(CC1)C2 ZINC000752350310 626425598 /nfs/dbraw/zinc/42/55/98/626425598.db2.gz OLGRTZDXCWLDPF-UHFFFAOYSA-N 0 0 296.461 3.322 20 10 CGCDRN Cc1cc(C(=O)N2CC(C(C)C)C2)c(C)n1-c1ccccn1 ZINC000753744129 626464240 /nfs/dbraw/zinc/46/42/40/626464240.db2.gz ORTMSRRIOGAYPG-UHFFFAOYSA-N 0 0 297.402 3.217 20 10 CGCDRN O=C(Nc1ccc(Cl)cc1O)C1=CC(=O)CS1 ZINC000754499685 626573473 /nfs/dbraw/zinc/57/34/73/626573473.db2.gz RAVMLTJBMWABIB-UHFFFAOYSA-N 0 0 269.709 3.065 20 10 CGCDRN Clc1cc2c(ncnc2Sc2nccs2)[nH]1 ZINC000754673908 626581609 /nfs/dbraw/zinc/58/16/09/626581609.db2.gz CESJROMAIWMRFL-UHFFFAOYSA-N 0 0 268.754 3.171 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756343601 626692476 /nfs/dbraw/zinc/69/24/76/626692476.db2.gz PRTZNVLHKHSJLN-MRVPVSSYSA-N 0 0 253.248 3.114 20 10 CGCDRN C[C@H]([NH2+]C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756356049 626695758 /nfs/dbraw/zinc/69/57/58/626695758.db2.gz YZIWBRJRRFUHDT-JTQLQIEISA-N 0 0 264.325 3.284 20 10 CGCDRN C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756636243 626722926 /nfs/dbraw/zinc/72/29/26/626722926.db2.gz WHRBDJBGCBBDCI-QWRGUYRKSA-N 0 0 292.329 3.347 20 10 CGCDRN CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756791251 626732401 /nfs/dbraw/zinc/73/24/01/626732401.db2.gz RCMJDRRYBWCKQQ-BMIGLBTASA-N 0 0 299.361 3.118 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756789423 626732711 /nfs/dbraw/zinc/73/27/11/626732711.db2.gz HJZSWOZGSHDUCR-PSASIEDQSA-N 0 0 275.364 3.463 20 10 CGCDRN CCc1nn(C)cc1N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756856706 626738127 /nfs/dbraw/zinc/73/81/27/626738127.db2.gz HNEMSSMVQPIPDP-JOYOIKCWSA-N 0 0 289.354 3.488 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000806141286 626766668 /nfs/dbraw/zinc/76/66/68/626766668.db2.gz HUOTXBBUGZXIEB-IUODEOHRSA-N 0 0 296.842 3.428 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1ncccc1C)CCC2 ZINC000839656849 626770738 /nfs/dbraw/zinc/77/07/38/626770738.db2.gz UMKHRKCXPWGJKR-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2CCCCC2)c1 ZINC000103593257 626789299 /nfs/dbraw/zinc/78/92/99/626789299.db2.gz KKMDDIOQRQURDS-NSHDSACASA-N 0 0 292.379 3.094 20 10 CGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cccc(F)c1O ZINC000758028304 626822390 /nfs/dbraw/zinc/82/23/90/626822390.db2.gz DLIWKTFFCUCVHO-UHFFFAOYSA-N 0 0 297.370 3.085 20 10 CGCDRN CC[C@@H](OC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000758556020 626848924 /nfs/dbraw/zinc/84/89/24/626848924.db2.gz CHHDWYSPBXGTBC-CQSZACIVSA-N 0 0 272.300 3.406 20 10 CGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1 ZINC000758562581 626849359 /nfs/dbraw/zinc/84/93/59/626849359.db2.gz UYXCROAKXZEBNG-QMMMGPOBSA-N 0 0 294.253 3.294 20 10 CGCDRN CCCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000759171003 626877806 /nfs/dbraw/zinc/87/78/06/626877806.db2.gz RNHITPXNPGDFMA-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN CCC(C)(C)CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759587725 626907435 /nfs/dbraw/zinc/90/74/35/626907435.db2.gz DKWWACWYJJXXPI-SOFGYWHQSA-N 0 0 278.348 3.481 20 10 CGCDRN CC1(NC(=O)NCCCSc2nccs2)CCCC1 ZINC000759576895 626907734 /nfs/dbraw/zinc/90/77/34/626907734.db2.gz ZUUMCIIPDJKHTG-UHFFFAOYSA-N 0 0 299.465 3.257 20 10 CGCDRN C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC000760133514 626940900 /nfs/dbraw/zinc/94/09/00/626940900.db2.gz IWGJXGQHVFPAKV-PZBABLGHSA-N 0 0 289.375 3.006 20 10 CGCDRN CCSCc1ccnc(NC(=O)C2=CC(=O)CS2)c1 ZINC000762376422 627107010 /nfs/dbraw/zinc/10/70/10/627107010.db2.gz PYMZVLQWLDLFKC-UHFFFAOYSA-N 0 0 294.401 3.354 20 10 CGCDRN CC(C)(C)C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000839794419 627112297 /nfs/dbraw/zinc/11/22/97/627112297.db2.gz WJKWTFPOVNRVFV-SNVBAGLBSA-N 0 0 267.394 3.352 20 10 CGCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)C2=CC(=O)CS2)C1 ZINC000762569739 627116060 /nfs/dbraw/zinc/11/60/60/627116060.db2.gz NAXAHCIUHNLJJD-MWLCHTKSSA-N 0 0 285.434 3.200 20 10 CGCDRN CCC(C)(CC)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000763077587 627140129 /nfs/dbraw/zinc/14/01/29/627140129.db2.gz SXTMMJSLJNCJRM-UHFFFAOYSA-N 0 0 291.439 3.439 20 10 CGCDRN COc1ccc(O)c(CN2CCOc3cc(C)ccc32)c1 ZINC000765655243 627265450 /nfs/dbraw/zinc/26/54/50/627265450.db2.gz NLUUUZMNAZZHLM-UHFFFAOYSA-N 0 0 285.343 3.108 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CCC2(C)C)c(C)n1-c1ccccn1 ZINC000805322079 627301412 /nfs/dbraw/zinc/30/14/12/627301412.db2.gz PSJHGKOTDHVKBB-OAHLLOKOSA-N 0 0 297.402 3.408 20 10 CGCDRN COc1ccc(N(CCn2ccnc2C)CC(C)C)cc1 ZINC000766248019 627306612 /nfs/dbraw/zinc/30/66/12/627306612.db2.gz DQKMKYJFFJLYJG-UHFFFAOYSA-N 0 0 287.407 3.363 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCCCO1 ZINC000766270728 627308723 /nfs/dbraw/zinc/30/87/23/627308723.db2.gz LAZLOLOFARRMPT-INIZCTEOSA-N 0 0 275.392 3.407 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCCOC1 ZINC000766270205 627308913 /nfs/dbraw/zinc/30/89/13/627308913.db2.gz RMMOLJOCWBJDJC-AWEZNQCLSA-N 0 0 275.392 3.265 20 10 CGCDRN C[C@@H](CN(C)C(=O)C1=CC(=O)CS1)C(C)(C)C ZINC000874590983 634567600 /nfs/dbraw/zinc/56/76/00/634567600.db2.gz CEFAXATZOWYKAZ-VIFPVBQESA-N 0 0 255.383 3.208 20 10 CGCDRN CCOc1ccc(CN2CCn3cccc3[C@H]2C)c(O)c1 ZINC000768162564 627465034 /nfs/dbraw/zinc/46/50/34/627465034.db2.gz QFEFRVHUDKQWOP-CYBMUJFWSA-N 0 0 286.375 3.169 20 10 CGCDRN CCOC(=O)[C@@H](NCc1ccc(OC)c(C)c1)C(C)(C)C ZINC000768523793 627483903 /nfs/dbraw/zinc/48/39/03/627483903.db2.gz JNJIEYGNJVCMOB-OAHLLOKOSA-N 0 0 293.407 3.071 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCCOC1 ZINC000768542278 627485247 /nfs/dbraw/zinc/48/52/47/627485247.db2.gz ROILJHIYZTVPBN-LBPRGKRZSA-N 0 0 297.345 3.467 20 10 CGCDRN O=C(NCCC1=CCCCCC1)C1=CC(=O)CS1 ZINC000768733796 627495318 /nfs/dbraw/zinc/49/53/18/627495318.db2.gz VUIIWMZBKURHMQ-UHFFFAOYSA-N 0 0 265.378 3.464 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCC2CC2)c1 ZINC000769416566 627550421 /nfs/dbraw/zinc/55/04/21/627550421.db2.gz CAGXWCOQXZRACH-NEPJUHHUSA-N 0 0 291.391 3.408 20 10 CGCDRN Cc1ccc2c(c1)nc(C[NH2+]Cc1cccc(F)c1[O-])n2C ZINC000769555682 627565706 /nfs/dbraw/zinc/56/57/06/627565706.db2.gz LORXNGKSXIZOGL-UHFFFAOYSA-N 0 0 299.349 3.016 20 10 CGCDRN CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCC1 ZINC000769560511 627566950 /nfs/dbraw/zinc/56/69/50/627566950.db2.gz NPPBNCGEWQFEAY-UHFFFAOYSA-N 0 0 287.403 3.468 20 10 CGCDRN Cn1ncc(NCc2cccc(Cl)c2O)c1C1CC1 ZINC000770664663 627636054 /nfs/dbraw/zinc/63/60/54/627636054.db2.gz JIWGVJLGBQAMRB-UHFFFAOYSA-N 0 0 277.755 3.269 20 10 CGCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)CC12CCC2 ZINC000771409357 627707359 /nfs/dbraw/zinc/70/73/59/627707359.db2.gz LWSACBGOPWCELD-SNVBAGLBSA-N 0 0 265.378 3.106 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1Cc2ccccc2C(F)(F)C1 ZINC000771653360 627725183 /nfs/dbraw/zinc/72/51/83/627725183.db2.gz RQRZYVNOEPFFNO-UHFFFAOYSA-N 0 0 295.310 3.202 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC2(C)C)cc1F ZINC000771984601 627752937 /nfs/dbraw/zinc/75/29/37/627752937.db2.gz JITYANLTYDTUBA-ZDUSSCGKSA-N 0 0 292.398 3.334 20 10 CGCDRN CC(C)C(CNC(=O)NCc1ccccc1O)C(C)C ZINC000772412199 627790267 /nfs/dbraw/zinc/79/02/67/627790267.db2.gz ZNFVZBBFGMLQCP-UHFFFAOYSA-N 0 0 278.396 3.120 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000772999770 627839643 /nfs/dbraw/zinc/83/96/43/627839643.db2.gz LUBMIKYUGNWRCQ-OLZOCXBDSA-N 0 0 286.375 3.327 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000773008875 627841593 /nfs/dbraw/zinc/84/15/93/627841593.db2.gz HVSRRMDZHVZQHG-LBPRGKRZSA-N 0 0 286.375 3.453 20 10 CGCDRN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773013224 627842449 /nfs/dbraw/zinc/84/24/49/627842449.db2.gz JUEHMUMKUFJCHF-ZDUSSCGKSA-N 0 0 286.375 3.453 20 10 CGCDRN CCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773129696 627860628 /nfs/dbraw/zinc/86/06/28/627860628.db2.gz NWULYOJTQONSDW-CHWSQXEVSA-N 0 0 277.412 3.301 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000773407356 627881399 /nfs/dbraw/zinc/88/13/99/627881399.db2.gz KIUKIOWJKWSKQU-FZMZJTMJSA-N 0 0 291.391 3.404 20 10 CGCDRN C[C@H](NC(=O)N1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773611690 627899934 /nfs/dbraw/zinc/89/99/34/627899934.db2.gz JCVAJJMZUKBHJY-KBPBESRZSA-N 0 0 289.423 3.255 20 10 CGCDRN C[C@@H](NC(=O)N1CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773624577 627901670 /nfs/dbraw/zinc/90/16/70/627901670.db2.gz OHKCLBZIMDJHDV-QWHCGFSZSA-N 0 0 275.396 3.008 20 10 CGCDRN CCC(C)(C)NC(=S)N[C@H](C)c1cc(OC)ccc1O ZINC000774176399 627956953 /nfs/dbraw/zinc/95/69/53/627956953.db2.gz JWQWBHXPSGUVTN-SNVBAGLBSA-N 0 0 296.436 3.115 20 10 CGCDRN CCc1c(Cl)nc(C)nc1NCc1ccccc1O ZINC000774524147 628001558 /nfs/dbraw/zinc/00/15/58/628001558.db2.gz ORVCXZVAOLJDSW-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NCc2ncc(C3CC3)o2)c1 ZINC000775372182 628086935 /nfs/dbraw/zinc/08/69/35/628086935.db2.gz ZZLATOYGPVSBAD-SNVBAGLBSA-N 0 0 288.347 3.117 20 10 CGCDRN CCCNC(=O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775493596 628099965 /nfs/dbraw/zinc/09/99/65/628099965.db2.gz VBXCHHGQBPHWRP-ZDUSSCGKSA-N 0 0 298.814 3.003 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccccc1O ZINC000775493324 628100374 /nfs/dbraw/zinc/10/03/74/628100374.db2.gz XQIMAWAISXBZAH-HNNXBMFYSA-N 0 0 285.391 3.094 20 10 CGCDRN CC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775638404 628118214 /nfs/dbraw/zinc/11/82/14/628118214.db2.gz HLEKAEQWLRHQKC-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000775647878 628118965 /nfs/dbraw/zinc/11/89/65/628118965.db2.gz GDCUZYFSQOEGPA-UHFFFAOYSA-N 0 0 255.720 3.312 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCCn1ccnc1 ZINC000776005268 628157522 /nfs/dbraw/zinc/15/75/22/628157522.db2.gz DVSLDVWPMCAQJO-UHFFFAOYSA-N 0 0 285.391 3.125 20 10 CGCDRN CC1=CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776244297 628183835 /nfs/dbraw/zinc/18/38/35/628183835.db2.gz IKGIUJXSLOUVRR-CQSZACIVSA-N 0 0 287.407 3.175 20 10 CGCDRN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1F ZINC000779147677 628390115 /nfs/dbraw/zinc/39/01/15/628390115.db2.gz AYSOVHJRSGAGNU-SMDDNHRTSA-N 0 0 268.351 3.072 20 10 CGCDRN CC(C)C[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779511311 628415893 /nfs/dbraw/zinc/41/58/93/628415893.db2.gz UJGDZJSJWFHIEW-QPBFKRLHSA-N 0 0 289.375 3.148 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000779914658 628441834 /nfs/dbraw/zinc/44/18/34/628441834.db2.gz DGSZXRKULWFJNP-JSGCOSHPSA-N 0 0 276.424 3.359 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(OC)c(O)c1 ZINC000780766557 628515624 /nfs/dbraw/zinc/51/56/24/628515624.db2.gz IMLYJZBMCUMWED-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccc(OC)c1O ZINC000780767743 628515720 /nfs/dbraw/zinc/51/57/20/628515720.db2.gz VZCBMHQSGAXUOS-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC000781566165 628572750 /nfs/dbraw/zinc/57/27/50/628572750.db2.gz NXWKJCBJXYKVSJ-CQSZACIVSA-N 0 0 274.408 3.195 20 10 CGCDRN Cc1cc(C=C2SC(=S)NC2=O)cc2cccnc12 ZINC000783695787 628740860 /nfs/dbraw/zinc/74/08/60/628740860.db2.gz BDIXQEDVLZLJEL-YRNVUSSQSA-N 0 0 286.381 3.032 20 10 CGCDRN COc1cc(Cl)cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783737019 628743800 /nfs/dbraw/zinc/74/38/00/628743800.db2.gz IDYZGGMERJROPX-GARJFASQSA-N 0 0 299.798 3.052 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000783970499 628761366 /nfs/dbraw/zinc/76/13/66/628761366.db2.gz FZEOYWIKIVRGKL-HSBSLETESA-N 0 0 294.354 3.217 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1CC2(CC2)c2ccccc21 ZINC000784037734 628770551 /nfs/dbraw/zinc/77/05/51/628770551.db2.gz ZIXHVHMJYVGWAP-VOTSOKGWSA-N 0 0 290.366 3.482 20 10 CGCDRN CO[C@H]1Cc2ccc(NCc3cc(C)ccc3O)cc2C1 ZINC000784635590 628826812 /nfs/dbraw/zinc/82/68/12/628826812.db2.gz IUFWLIAXJBWHLR-KRWDZBQOSA-N 0 0 283.371 3.426 20 10 CGCDRN CO[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C ZINC000784666958 628828068 /nfs/dbraw/zinc/82/80/68/628828068.db2.gz CNEXOBMWKOKPHT-RNCFNFMXSA-N 0 0 287.762 3.042 20 10 CGCDRN CC[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(Cl)c1[O-] ZINC000806149617 628855644 /nfs/dbraw/zinc/85/56/44/628855644.db2.gz GMJGLADRFPWLCT-SMDDNHRTSA-N 0 0 285.815 3.495 20 10 CGCDRN C[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000785555330 628870628 /nfs/dbraw/zinc/87/06/28/628870628.db2.gz WTHDPDODOQWEIT-AAEUAGOBSA-N 0 0 278.352 3.359 20 10 CGCDRN CCCC(C)(C)CC(=O)NCc1cccc(OC)c1O ZINC000787444010 629012762 /nfs/dbraw/zinc/01/27/62/629012762.db2.gz FDYFYAWKDJDWLI-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000788605457 629068692 /nfs/dbraw/zinc/06/86/92/629068692.db2.gz KJBSTKCOHYFISU-MRVPVSSYSA-N 0 0 273.348 3.217 20 10 CGCDRN COc1ccc2c(c1)CCN2CC1(SC)CCC1 ZINC000788841793 629085593 /nfs/dbraw/zinc/08/55/93/629085593.db2.gz BLTPZPNONXMGJJ-UHFFFAOYSA-N 0 0 263.406 3.343 20 10 CGCDRN OCc1cccc(NCc2cc(Cl)cc(F)c2O)c1 ZINC000789563411 629144866 /nfs/dbraw/zinc/14/48/66/629144866.db2.gz QWKYTAXRVQPDEW-UHFFFAOYSA-N 0 0 281.714 3.289 20 10 CGCDRN CC(C)(CCNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790577384 629218569 /nfs/dbraw/zinc/21/85/69/629218569.db2.gz QFPGLIKZQYKBFJ-UHFFFAOYSA-N 0 0 299.370 3.196 20 10 CGCDRN Cc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2O)cc1 ZINC000790642188 629222709 /nfs/dbraw/zinc/22/27/09/629222709.db2.gz CKPJDUMQCNAFPT-UHFFFAOYSA-N 0 0 299.370 3.114 20 10 CGCDRN COCCC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790970388 629244407 /nfs/dbraw/zinc/24/44/07/629244407.db2.gz HMLSEQFPFVZMMQ-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)C(F)F ZINC000792056141 629333923 /nfs/dbraw/zinc/33/39/23/629333923.db2.gz DDJWUHBGTGVABM-UHFFFAOYSA-N 0 0 296.361 3.194 20 10 CGCDRN CCC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OCC ZINC000862434903 629371350 /nfs/dbraw/zinc/37/13/50/629371350.db2.gz KBXALNGGZVIGPR-LBPRGKRZSA-N 0 0 289.778 3.480 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2scnc2C(C)C)c1 ZINC000862754525 629428685 /nfs/dbraw/zinc/42/86/85/629428685.db2.gz DZTQIVSLQJIUSE-UHFFFAOYSA-N 0 0 290.388 3.211 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ncsc2C(C)C)c1 ZINC000862755202 629429860 /nfs/dbraw/zinc/42/98/60/629429860.db2.gz DWUJGDDDJDKDBB-UHFFFAOYSA-N 0 0 290.388 3.211 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000862756926 629430183 /nfs/dbraw/zinc/43/01/83/629430183.db2.gz AWLJFXPTMYDFNY-GFCCVEGCSA-N 0 0 263.381 3.389 20 10 CGCDRN COCCC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000793330411 629444074 /nfs/dbraw/zinc/44/40/74/629444074.db2.gz YEXZNISPEJFVJM-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccc(F)cc1[O-] ZINC000793575187 629486223 /nfs/dbraw/zinc/48/62/23/629486223.db2.gz UXZIOPCRWDZTGI-NSHDSACASA-N 0 0 299.349 3.301 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000795269458 629654473 /nfs/dbraw/zinc/65/44/73/629654473.db2.gz DSGGANOTTFRIGX-AAEUAGOBSA-N 0 0 296.361 3.365 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CSC[C@@H]2C)c1[O-] ZINC000796403458 629776891 /nfs/dbraw/zinc/77/68/91/629776891.db2.gz RAHHJPMDTQWCNI-SDBXPKJASA-N 0 0 299.823 3.089 20 10 CGCDRN C[C@H](O)c1cc(NCc2ccccc2O)ccc1F ZINC000796520373 629794045 /nfs/dbraw/zinc/79/40/45/629794045.db2.gz UBQQUARJSQXKPY-JTQLQIEISA-N 0 0 261.296 3.197 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000796697059 629815901 /nfs/dbraw/zinc/81/59/01/629815901.db2.gz WHLSVSFWYLNSPY-MRXNPFEDSA-N 0 0 294.414 3.304 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)CN1CCCCC1)c1ccc(F)cc1[O-] ZINC000796698190 629816723 /nfs/dbraw/zinc/81/67/23/629816723.db2.gz WQUUWPRRAMDZJD-CJNGLKHVSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+]CCOc1cccnc1)c1ccc(F)cc1[O-] ZINC000796758503 629827237 /nfs/dbraw/zinc/82/72/37/629827237.db2.gz CQXGFYPFDXHXEY-OAHLLOKOSA-N 0 0 290.338 3.046 20 10 CGCDRN Cc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000015134376 629833385 /nfs/dbraw/zinc/83/33/85/629833385.db2.gz NXTKPNZHLHTJPT-UHFFFAOYSA-N 0 0 282.387 3.299 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccc(F)cc1[O-] ZINC000796789534 629835206 /nfs/dbraw/zinc/83/52/06/629835206.db2.gz VFKJXQOGAKPLBE-KGLIPLIRSA-N 0 0 269.360 3.243 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000120097316 629859201 /nfs/dbraw/zinc/85/92/01/629859201.db2.gz XZWGLCLETWBXPJ-JTQLQIEISA-N 0 0 276.292 3.053 20 10 CGCDRN CC(C)(C)c1ccncc1CNC(=O)C1=CC(=O)CS1 ZINC000839828275 629962160 /nfs/dbraw/zinc/96/21/60/629962160.db2.gz UATSAOLHHNDRET-UHFFFAOYSA-N 0 0 290.388 3.076 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc(C(F)(F)F)c1[O-] ZINC000798184610 630031732 /nfs/dbraw/zinc/03/17/32/630031732.db2.gz YVECWROBDSGSGF-VHSXEESVSA-N 0 0 291.313 3.080 20 10 CGCDRN COC(C)(C)c1nsc(NCc2cc(C)ccc2O)n1 ZINC000865295654 630057876 /nfs/dbraw/zinc/05/78/76/630057876.db2.gz JJVILMOPCAISAE-UHFFFAOYSA-N 0 0 293.392 3.046 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC(C)(C)F)c1 ZINC000865652424 630254770 /nfs/dbraw/zinc/25/47/70/630254770.db2.gz BDLSHLGOBGSSDP-UHFFFAOYSA-N 0 0 290.176 3.301 20 10 CGCDRN CCCC[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000800519138 630291190 /nfs/dbraw/zinc/29/11/90/630291190.db2.gz MEGGJYPOIRNQMG-RYUDHWBXSA-N 0 0 279.380 3.404 20 10 CGCDRN COc1ccc(O)c(CN2CCCC[C@H]2C(F)F)c1 ZINC000800533089 630291485 /nfs/dbraw/zinc/29/14/85/630291485.db2.gz GQLNQPODOCCBFK-LBPRGKRZSA-N 0 0 271.307 3.020 20 10 CGCDRN CCC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000839920304 630296783 /nfs/dbraw/zinc/29/67/83/630296783.db2.gz PEGHEHFDRADVJH-AWEZNQCLSA-N 0 0 288.435 3.298 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCSC1 ZINC000801549708 630343133 /nfs/dbraw/zinc/34/31/33/630343133.db2.gz XGZCZJWDECCIKQ-CQSZACIVSA-N 0 0 293.432 3.274 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000802655193 630402955 /nfs/dbraw/zinc/40/29/55/630402955.db2.gz RXXNEZBVDVUYDG-NDMJEZRESA-N 0 0 251.757 3.324 20 10 CGCDRN CCOc1cccc(CN2CCc3cc(F)ccc32)c1O ZINC000802658031 630403710 /nfs/dbraw/zinc/40/37/10/630403710.db2.gz ZPKRYZQTLQFMPP-UHFFFAOYSA-N 0 0 287.334 3.493 20 10 CGCDRN CN(C)c1ccc(CNc2cc3cc[nH]c3cn2)cc1F ZINC000804392904 630525768 /nfs/dbraw/zinc/52/57/68/630525768.db2.gz UIVYNYXKDFCUFQ-UHFFFAOYSA-N 0 0 284.338 3.380 20 10 CGCDRN COc1ccc(NCc2ccc(N(C)C)cc2C)nc1 ZINC000804461289 630528886 /nfs/dbraw/zinc/52/88/86/630528886.db2.gz WVAOPVYUMMGCKG-UHFFFAOYSA-N 0 0 271.364 3.077 20 10 CGCDRN CSc1cnc(NCc2ccc(N(C)C)cc2C)nc1 ZINC000804460767 630529445 /nfs/dbraw/zinc/52/94/45/630529445.db2.gz OAOAOYJAOMWCTF-UHFFFAOYSA-N 0 0 288.420 3.185 20 10 CGCDRN CSc1cccc(NCc2cc(C)ccc2O)n1 ZINC000804609826 630542784 /nfs/dbraw/zinc/54/27/84/630542784.db2.gz JPWKXQRUXOFRQZ-UHFFFAOYSA-N 0 0 260.362 3.430 20 10 CGCDRN CC[C@@H]([NH2+]CCC1(O)CCC1)c1cccc(Cl)c1[O-] ZINC000806164855 630552524 /nfs/dbraw/zinc/55/25/24/630552524.db2.gz DQMVUUYRBITSGP-CYBMUJFWSA-N 0 0 283.799 3.391 20 10 CGCDRN CC(=O)C(=O)CSc1c(Cl)cccc1Cl ZINC000808012181 630618252 /nfs/dbraw/zinc/61/82/52/630618252.db2.gz GOQGDQAFWSPGRT-UHFFFAOYSA-N 0 0 263.145 3.244 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C=C1CCCCC1 ZINC000808094388 630621797 /nfs/dbraw/zinc/62/17/97/630621797.db2.gz MVPIWOCZPVIBFR-UHFFFAOYSA-N 0 0 294.391 3.385 20 10 CGCDRN Cc1cc(O)c(CN[C@@H]2CCCC2(F)F)cc1C ZINC000808431099 630644160 /nfs/dbraw/zinc/64/41/60/630644160.db2.gz DHPNZDFGWZCDQZ-CYBMUJFWSA-N 0 0 255.308 3.286 20 10 CGCDRN COc1cncc(CN(C)c2ccc(OC)c(Cl)c2)c1 ZINC000808734498 630673516 /nfs/dbraw/zinc/67/35/16/630673516.db2.gz ZIJDKLAEQYFXFP-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000809705988 630787173 /nfs/dbraw/zinc/78/71/73/630787173.db2.gz HMQSZUDSQOGZLB-UHFFFAOYSA-N 0 0 279.689 3.478 20 10 CGCDRN CCN(Cc1oc(C)nc1C)c1ccc(OC)cc1 ZINC000809956995 630820791 /nfs/dbraw/zinc/82/07/91/630820791.db2.gz HJWNYRFIAVMVSW-UHFFFAOYSA-N 0 0 260.337 3.327 20 10 CGCDRN Fc1ccccc1NNC(=S)Nc1ccccc1 ZINC000812474896 631265439 /nfs/dbraw/zinc/26/54/39/631265439.db2.gz ILJFESYXDWMXIX-UHFFFAOYSA-N 0 0 261.325 3.139 20 10 CGCDRN C[C@@H](Nc1nnc(C(F)F)o1)c1ccc(N(C)C)cc1 ZINC000814367659 631575325 /nfs/dbraw/zinc/57/53/25/631575325.db2.gz URIOAIBSTQOCDZ-MRVPVSSYSA-N 0 0 282.294 3.246 20 10 CGCDRN C[C@@H]([NH2+]CCCF)c1cccc(C(F)(F)F)c1[O-] ZINC000815597283 631803489 /nfs/dbraw/zinc/80/34/89/631803489.db2.gz RLCQCARCVGNZSE-MRVPVSSYSA-N 0 0 265.250 3.421 20 10 CGCDRN COCC1([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815608037 631805416 /nfs/dbraw/zinc/80/54/16/631805416.db2.gz PAFWZUVXMJQYNI-SECBINFHSA-N 0 0 289.297 3.241 20 10 CGCDRN COCCN(Cc1ccc2ccccc2c1O)CC(F)F ZINC000816501277 631996006 /nfs/dbraw/zinc/99/60/06/631996006.db2.gz DJJAOCJOCSTABQ-UHFFFAOYSA-N 0 0 295.329 3.259 20 10 CGCDRN CC(=O)OC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816512908 631998406 /nfs/dbraw/zinc/99/84/06/631998406.db2.gz ZETCXAPNUULXLZ-UHFFFAOYSA-N 0 0 299.370 3.073 20 10 CGCDRN CCC1(O)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816515175 632000878 /nfs/dbraw/zinc/00/08/78/632000878.db2.gz RIXZJTOKGMZSKP-UHFFFAOYSA-N 0 0 285.387 3.282 20 10 CGCDRN Oc1cc(F)c(Cl)cc1CNc1ccnn1CC1CC1 ZINC000816557179 632011708 /nfs/dbraw/zinc/01/17/08/632011708.db2.gz GWTKACVZYFFOCG-UHFFFAOYSA-N 0 0 295.745 3.403 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnn(C)c1Cl ZINC000816565724 632014944 /nfs/dbraw/zinc/01/49/44/632014944.db2.gz ZUSHQDBBQDDGKW-UHFFFAOYSA-N 0 0 291.782 3.035 20 10 CGCDRN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816584782 632018191 /nfs/dbraw/zinc/01/81/91/632018191.db2.gz SCUPMLJEAMIDPD-WCBMZHEXSA-N 0 0 257.736 3.463 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1conc1C ZINC000816613812 632025015 /nfs/dbraw/zinc/02/50/15/632025015.db2.gz FYAUVNQZLOVWME-UHFFFAOYSA-N 0 0 272.348 3.335 20 10 CGCDRN Cc1ncsc1/C=C1\c2cccc3c2N(CCC3)C1=O ZINC000817347040 632130228 /nfs/dbraw/zinc/13/02/28/632130228.db2.gz ZAHBVZRKWBVVMJ-MDWZMJQESA-N 0 0 282.368 3.285 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817434069 632154820 /nfs/dbraw/zinc/15/48/20/632154820.db2.gz YQZARXAUUYCUDY-IIAWOOMASA-N 0 0 286.419 3.113 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817517489 632179779 /nfs/dbraw/zinc/17/97/79/632179779.db2.gz SOURIMJXEVFVJG-BBWFWOEESA-N 0 0 298.430 3.339 20 10 CGCDRN C[C@H]([NH2+][C@@H](CN)C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817960747 632256471 /nfs/dbraw/zinc/25/64/71/632256471.db2.gz QYQCWMGZYZLLRM-MADCSZMMSA-N 0 0 289.206 3.087 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CN)c1cc(Cl)cc(Cl)c1[O-] ZINC000817970164 632262744 /nfs/dbraw/zinc/26/27/44/632262744.db2.gz MUSFFHKDYWESGW-CPCISQLKSA-N 0 0 277.195 3.087 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818358322 632314838 /nfs/dbraw/zinc/31/48/38/632314838.db2.gz UQGBBDYUBVVOCC-HBNTYKKESA-N 0 0 290.190 3.263 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CC(=O)NCCc1ccc(N)cc1 ZINC000818545039 632332342 /nfs/dbraw/zinc/33/23/42/632332342.db2.gz CCHFJVHVCQULLL-HIFRSBDPSA-N 0 0 274.408 3.144 20 10 CGCDRN CC(C)(COCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000818556333 632334336 /nfs/dbraw/zinc/33/43/36/632334336.db2.gz MQSMSHQKZBYOKI-UHFFFAOYSA-N 0 0 298.386 3.450 20 10 CGCDRN CC1(C)CCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000819181495 632395993 /nfs/dbraw/zinc/39/59/93/632395993.db2.gz YHYVFXRZXXPUDX-FWPCIQOSSA-N 0 0 289.375 3.054 20 10 CGCDRN CC(C)COc1ccccc1NC[C@H](O)CCOC(C)C ZINC000819417103 632454557 /nfs/dbraw/zinc/45/45/57/632454557.db2.gz UOWJCJWHAZCMQP-OAHLLOKOSA-N 0 0 295.423 3.309 20 10 CGCDRN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC000820023648 632562379 /nfs/dbraw/zinc/56/23/79/632562379.db2.gz SAQOSPGICJCZFR-SNVBAGLBSA-N 0 0 290.367 3.261 20 10 CGCDRN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820444787 632629077 /nfs/dbraw/zinc/62/90/77/632629077.db2.gz FTIQAPKSLWDZBQ-WDEREUQCSA-N 0 0 288.351 3.110 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CCC=CCC2)c1 ZINC000821065048 632721056 /nfs/dbraw/zinc/72/10/56/632721056.db2.gz JFGWRYKNEAXKNC-LBPRGKRZSA-N 0 0 289.375 3.324 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC1(C)C ZINC000840411202 632731701 /nfs/dbraw/zinc/73/17/01/632731701.db2.gz VBYBNIDRISIZDL-HNNXBMFYSA-N 0 0 289.423 3.083 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@]2(C)CC=CCC2)cc1 ZINC000822226863 632886739 /nfs/dbraw/zinc/88/67/39/632886739.db2.gz KSVAMHDFGCKNHA-KRWDZBQOSA-N 0 0 272.392 3.115 20 10 CGCDRN CC(C)(C)c1c[nH]c(Sc2ncc([N+](=O)[O-])s2)n1 ZINC000866033212 632981273 /nfs/dbraw/zinc/98/12/73/632981273.db2.gz CZWSXGDFKRNWRF-UHFFFAOYSA-N 0 0 284.366 3.223 20 10 CGCDRN CC1=C(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000822623290 632990243 /nfs/dbraw/zinc/99/02/43/632990243.db2.gz PTPWCGLTONYPCL-UHFFFAOYSA-N 0 0 286.335 3.031 20 10 CGCDRN Cc1ccc(NCc2cc(Br)ccc2O)cn1 ZINC000128016270 635867494 /nfs/dbraw/zinc/86/74/94/635867494.db2.gz XZWHJRUHTSCLQP-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CCN(Cc1nc(C(F)F)no1)c1ccc(OC)cc1 ZINC000822717786 633010749 /nfs/dbraw/zinc/01/07/49/633010749.db2.gz NTKRJQKPRAXQFI-UHFFFAOYSA-N 0 0 283.278 3.042 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822863933 633032763 /nfs/dbraw/zinc/03/27/63/633032763.db2.gz UZTFYNHYOYSGOL-UONOGXRCSA-N 0 0 292.398 3.334 20 10 CGCDRN CCCC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823047068 633053073 /nfs/dbraw/zinc/05/30/73/633053073.db2.gz RQPHNVXDIMLGAO-LLVKDONJSA-N 0 0 290.367 3.500 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(F)cc1[O-] ZINC000866473857 633149293 /nfs/dbraw/zinc/14/92/93/633149293.db2.gz JDKAUMLEPIVDGI-CYBMUJFWSA-N 0 0 278.302 3.306 20 10 CGCDRN O=C(C[C@H]1CC=CCC1)NCc1cc(Cl)ccc1O 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CCn1cc(NCc2cc(Cl)c(C)cc2O)cn1 ZINC000825385307 633351036 /nfs/dbraw/zinc/35/10/36/633351036.db2.gz XGVGZFQPTIEKBX-UHFFFAOYSA-N 0 0 265.744 3.183 20 10 CGCDRN C[C@H](NC(=O)N[C@H](C1CC1)C1CCC1)c1ccccc1O ZINC000868694785 633352431 /nfs/dbraw/zinc/35/24/31/633352431.db2.gz WXZFJJKZUHZULN-ZBEGNZNMSA-N 0 0 288.391 3.331 20 10 CGCDRN Cc1nnc([C@H](C)NCc2cc(Cl)c(C)cc2O)s1 ZINC000825515258 633360645 /nfs/dbraw/zinc/36/06/45/633360645.db2.gz ZOXIMTXRGHSPDH-QMMMGPOBSA-N 0 0 297.811 3.365 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000825736768 633378659 /nfs/dbraw/zinc/37/86/59/633378659.db2.gz JCYFZVGGVFSSNG-SCRDCRAPSA-N 0 0 291.391 3.404 20 10 CGCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1cc(OC)ccc1O ZINC000825838681 633383262 /nfs/dbraw/zinc/38/32/62/633383262.db2.gz FFCDERONHFMQHA-WFASDCNBSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(O)c(CNc2ccc3c(c2)CCOC3)c1 ZINC000827312866 633480883 /nfs/dbraw/zinc/48/08/83/633480883.db2.gz INMHVEUXVZMSMR-UHFFFAOYSA-N 0 0 285.343 3.086 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1=CCCC1 ZINC000827549595 633497605 /nfs/dbraw/zinc/49/76/05/633497605.db2.gz PEYLPOQGIFSRPV-UHFFFAOYSA-N 0 0 255.720 3.385 20 10 CGCDRN CCOc1ccc(NCc2cccc(C)c2O)nc1C ZINC000827729836 633512935 /nfs/dbraw/zinc/51/29/35/633512935.db2.gz ZCOXUYZSACMHRH-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN C[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827937021 633536355 /nfs/dbraw/zinc/53/63/55/633536355.db2.gz IMKPUZALGCQYCN-ZIAGYGMSSA-N 0 0 283.371 3.448 20 10 CGCDRN CC(C(=O)N[C@H](C)c1ccccc1O)=C1CCCC1 ZINC000827937149 633536879 /nfs/dbraw/zinc/53/68/79/633536879.db2.gz MALTYRKSFJGRCX-GFCCVEGCSA-N 0 0 259.349 3.460 20 10 CGCDRN C[C@@H](NC(=O)C12CC(C(F)(F)F)(C1)C2)c1ccccc1O ZINC000827941532 633538453 /nfs/dbraw/zinc/53/84/53/633538453.db2.gz TYHUPIVZFPCTMG-BZFQTPOWSA-N 0 0 299.292 3.302 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1O ZINC000827952112 633538845 /nfs/dbraw/zinc/53/88/45/633538845.db2.gz GNWVQAOHKHSLDU-ZMJPVWNMSA-N 0 0 259.349 3.006 20 10 CGCDRN CC(C)c1scnc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946851 633539087 /nfs/dbraw/zinc/53/90/87/633539087.db2.gz TUDKTFSIFIICCN-SNVBAGLBSA-N 0 0 290.388 3.463 20 10 CGCDRN C[C@H](Cc1ccco1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960729 633541495 /nfs/dbraw/zinc/54/14/95/633541495.db2.gz WDSNVVYPVQKMQP-NEPJUHHUSA-N 0 0 273.332 3.041 20 10 CGCDRN Cc1cccc(C)c1NCC(=O)N[C@@H](C)c1ccccc1O ZINC000827973143 633542576 /nfs/dbraw/zinc/54/25/76/633542576.db2.gz IOTZCVJQQBTJDJ-AWEZNQCLSA-N 0 0 298.386 3.298 20 10 CGCDRN CC(C)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000827969660 633543062 /nfs/dbraw/zinc/54/30/62/633543062.db2.gz QLLNGTKKKXHEJI-LBPRGKRZSA-N 0 0 299.374 3.099 20 10 CGCDRN C[C@H](NC(=O)CO[C@@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000827978178 633543710 /nfs/dbraw/zinc/54/37/10/633543710.db2.gz JZBRJLXBTYMSJY-HEHGZKQESA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](Cc1ccccc1F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203408 633722992 /nfs/dbraw/zinc/72/29/92/633722992.db2.gz ZVSYLDQEXSESRV-LBPRGKRZSA-N 0 0 299.345 3.252 20 10 CGCDRN O=C(C[C@H]1CCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871202362 633723776 /nfs/dbraw/zinc/72/37/76/633723776.db2.gz FPDASOASNNKMFU-CQSZACIVSA-N 0 0 293.366 3.355 20 10 CGCDRN CC1=C(C)C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205684 633725542 /nfs/dbraw/zinc/72/55/42/633725542.db2.gz JXSXLCAQZONMIG-ZDUSSCGKSA-N 0 0 271.360 3.371 20 10 CGCDRN O=C(CCCc1ccsc1)N1Cc2cccc(O)c2C1 ZINC000871205068 633725709 /nfs/dbraw/zinc/72/57/09/633725709.db2.gz VEWFZISJBYTSAA-UHFFFAOYSA-N 0 0 287.384 3.319 20 10 CGCDRN CSc1cc(C)c(C(=O)N2Cc3cccc(O)c3C2)o1 ZINC000871208113 633726497 /nfs/dbraw/zinc/72/64/97/633726497.db2.gz YAAMTBCIEKIEIM-UHFFFAOYSA-N 0 0 289.356 3.172 20 10 CGCDRN O=C([C@@H]1CCCC2(CC2)C1)N1Cc2cccc(O)c2C1 ZINC000871206275 633726515 /nfs/dbraw/zinc/72/65/15/633726515.db2.gz XXDVZLJPJUJXFN-GFCCVEGCSA-N 0 0 271.360 3.205 20 10 CGCDRN COC(=O)c1cnc(S[C@@H]2CC[C@@H](C)C2)s1 ZINC000829677959 633765345 /nfs/dbraw/zinc/76/53/45/633765345.db2.gz SUPOXENHYQEJRT-HTQZYQBOSA-N 0 0 257.380 3.210 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)N1CCC[C@@H](C)C1 ZINC000871847702 633893621 /nfs/dbraw/zinc/89/36/21/633893621.db2.gz VORYHXRIKKPJKS-CQSZACIVSA-N 0 0 289.423 3.177 20 10 CGCDRN CCCOc1ccc(C[NH2+]C[C@@H](C)CCC(=O)[O-])cc1C ZINC000871877468 633907245 /nfs/dbraw/zinc/90/72/45/633907245.db2.gz JYTPAYFZPWLYSE-ZDUSSCGKSA-N 0 0 293.407 3.374 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c(O)c1 ZINC000831032487 633911815 /nfs/dbraw/zinc/91/18/15/633911815.db2.gz DVQNBCIZGCUSSZ-RWMBFGLXSA-N 0 0 291.391 3.089 20 10 CGCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000846185334 636155523 /nfs/dbraw/zinc/15/55/23/636155523.db2.gz UVBWNDIFTHSWKZ-CQDKDKBSSA-N 0 0 283.387 3.369 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000832435402 634058639 /nfs/dbraw/zinc/05/86/39/634058639.db2.gz AXZHBQGGFUOFRQ-JFOHDYCDSA-N 0 0 286.419 3.366 20 10 CGCDRN C[C@@H](NC(=O)C1CC2(CC2)C1)c1ccc(N(C)C)cc1 ZINC000832431197 634058687 /nfs/dbraw/zinc/05/86/87/634058687.db2.gz LCDJXPDUBSZSAE-GFCCVEGCSA-N 0 0 272.392 3.120 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]C2(CC(=O)[O-])CCC2)cc1 ZINC000833654650 634125263 /nfs/dbraw/zinc/12/52/63/634125263.db2.gz YWBOLAKGWDVXRP-UHFFFAOYSA-N 0 0 290.407 3.020 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(F)cc1[O-] ZINC000834877092 634263446 /nfs/dbraw/zinc/26/34/46/634263446.db2.gz XWFQUFWTRFLKNZ-GWCFXTLKSA-N 0 0 269.360 3.122 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873156267 634264000 /nfs/dbraw/zinc/26/40/00/634264000.db2.gz KDXRGXWJPBMMMD-ISTVAULSSA-N 0 0 299.773 3.232 20 10 CGCDRN CCc1ncc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])o1 ZINC000834899641 634276435 /nfs/dbraw/zinc/27/64/35/634276435.db2.gz LGFJBWXVQJHKOQ-CYBMUJFWSA-N 0 0 278.327 3.323 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(Cl)ccc1O ZINC000834903537 634280286 /nfs/dbraw/zinc/28/02/86/634280286.db2.gz IRARDJZHXUPFLY-SNVBAGLBSA-N 0 0 285.815 3.493 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])nc1 ZINC000834910428 634283942 /nfs/dbraw/zinc/28/39/42/634283942.db2.gz TTXPSAXBKFVECN-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN COc1ccc(SCC(=O)Nc2ccc(N)cc2)cc1 ZINC000019846321 634291203 /nfs/dbraw/zinc/29/12/03/634291203.db2.gz SKQNZNZRPJMDJH-UHFFFAOYSA-N 0 0 288.372 3.008 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CCOCC23CCC3)cc1 ZINC000835025891 634324379 /nfs/dbraw/zinc/32/43/79/634324379.db2.gz MMWIVSYWCJPKHB-HYXAFXHYSA-N 0 0 286.419 3.021 20 10 CGCDRN Nc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)C2)cc1 ZINC000873299233 634325211 /nfs/dbraw/zinc/32/52/11/634325211.db2.gz PNKGQDKQHAXQMK-UHFFFAOYSA-N 0 0 298.361 3.218 20 10 CGCDRN Nc1ccc(NC(=O)NCCC[C@H]2C=CCC2)cc1 ZINC000873328299 634329777 /nfs/dbraw/zinc/32/97/77/634329777.db2.gz QHMSFZCFAQWNAC-LBPRGKRZSA-N 0 0 259.353 3.137 20 10 CGCDRN CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(F)F ZINC000835055344 634339107 /nfs/dbraw/zinc/33/91/07/634339107.db2.gz UXWGMTWUYACJIK-GJBLVYBDSA-N 0 0 268.351 3.399 20 10 CGCDRN C[C@]1(C(=O)NCc2ccc(N)cc2)CCCc2ccccc21 ZINC000837303007 634882236 /nfs/dbraw/zinc/88/22/36/634882236.db2.gz QEOWWJRPOUFLHJ-IBGZPJMESA-N 0 0 294.398 3.179 20 10 CGCDRN CC[C@H](CCc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000877004305 634947616 /nfs/dbraw/zinc/94/76/16/634947616.db2.gz KJJJTVGXFFOVHX-GOSISDBHSA-N 0 0 296.414 3.339 20 10 CGCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])Oc1ccccc1 ZINC000877047268 634962668 /nfs/dbraw/zinc/96/26/68/634962668.db2.gz VQKPHCKVTAAIRJ-LLVKDONJSA-N 0 0 293.313 3.228 20 10 CGCDRN CN(C(=O)[C@@]1(C)CCc2ccccc21)c1ccc(N)cc1 ZINC000877076170 634973592 /nfs/dbraw/zinc/97/35/92/634973592.db2.gz MZADDFNWAJNTHO-SFHVURJKSA-N 0 0 280.371 3.136 20 10 CGCDRN CC[C@H](OC1CCCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877077254 634974489 /nfs/dbraw/zinc/97/44/89/634974489.db2.gz ALBJGBVIHHMOBD-INIZCTEOSA-N 0 0 290.407 3.360 20 10 CGCDRN CC(C)OCc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080716 634976805 /nfs/dbraw/zinc/97/68/05/634976805.db2.gz NTMVAOOVBSNRNX-UHFFFAOYSA-N 0 0 298.386 3.470 20 10 CGCDRN C/C=C(\C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554465 635021850 /nfs/dbraw/zinc/02/18/50/635021850.db2.gz BLJDZHAOESHYNE-GMMCIKNFSA-N 0 0 274.408 3.074 20 10 CGCDRN Cc1ccc(CNc2ccccc2C[S@](C)=O)c(O)c1 ZINC000877362773 635030714 /nfs/dbraw/zinc/03/07/14/635030714.db2.gz IPQIFHPBDWANAQ-FQEVSTJZSA-N 0 0 289.400 3.191 20 10 CGCDRN CC(C)(CC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877460743 635045146 /nfs/dbraw/zinc/04/51/46/635045146.db2.gz UIBMWSYLTXKYJY-UHFFFAOYSA-N 0 0 283.240 3.491 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840822173 635058207 /nfs/dbraw/zinc/05/82/07/635058207.db2.gz UCXRLDMPRUKEQH-JYILRKAJSA-N 0 0 276.336 3.140 20 10 CGCDRN Cc1ccc(CNc2cccc3c2CCO3)c(O)c1 ZINC000877492307 635059397 /nfs/dbraw/zinc/05/93/97/635059397.db2.gz UQXYVTKDWVHNQZ-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877517592 635068947 /nfs/dbraw/zinc/06/89/47/635068947.db2.gz OPDZICAURYXURI-AAEUAGOBSA-N 0 0 299.361 3.186 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C(F)F)o2)c(Cl)c1 ZINC000840885166 635074050 /nfs/dbraw/zinc/07/40/50/635074050.db2.gz UYCIBVLHDKXHEW-UHFFFAOYSA-N 0 0 289.669 3.287 20 10 CGCDRN CCN(C)c1ccc([C@H](C)N[C@H](C)c2csnn2)cc1 ZINC000840886260 635074634 /nfs/dbraw/zinc/07/46/34/635074634.db2.gz UBYIJSWGZQIZTM-NWDGAFQWSA-N 0 0 290.436 3.406 20 10 CGCDRN COCC(C)(C)CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877533780 635076500 /nfs/dbraw/zinc/07/65/00/635076500.db2.gz SJGLHIFHXYOEPO-UHFFFAOYSA-N 0 0 287.350 3.213 20 10 CGCDRN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000877540315 635079834 /nfs/dbraw/zinc/07/98/34/635079834.db2.gz WFBSDNACPPXSJZ-IUODEOHRSA-N 0 0 297.345 3.060 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cnn(CC2CC2)c1 ZINC000840936950 635085978 /nfs/dbraw/zinc/08/59/78/635085978.db2.gz OJYJTDQUGIHFSR-UHFFFAOYSA-N 0 0 284.407 3.280 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000840955588 635093151 /nfs/dbraw/zinc/09/31/51/635093151.db2.gz WGFCLRIMDNCCSY-OAHLLOKOSA-N 0 0 281.783 3.047 20 10 CGCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)O1 ZINC000840964930 635094772 /nfs/dbraw/zinc/09/47/72/635094772.db2.gz YHGZVLLDJAEAPW-BBBLOLIVSA-N 0 0 287.762 3.088 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)ccc(F)c1F ZINC000877605131 635108567 /nfs/dbraw/zinc/10/85/67/635108567.db2.gz VFJFTJQSURFAEG-GFCCVEGCSA-N 0 0 290.313 3.055 20 10 CGCDRN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877606604 635109439 /nfs/dbraw/zinc/10/94/39/635109439.db2.gz GLNDXMTWNVUENM-PHIMTYICSA-N 0 0 285.334 3.106 20 10 CGCDRN COc1ccc(CC[C@H](C)Nc2ccc(N)cc2)cc1O ZINC000841040366 635112236 /nfs/dbraw/zinc/11/22/36/635112236.db2.gz KYVNOTIDMWPIGR-LBPRGKRZSA-N 0 0 286.375 3.416 20 10 CGCDRN C[C@@H]1C[NH+](Cc2ccc(F)c(F)c2[O-])C[C@@H](C)C1(F)F ZINC000877650934 635131874 /nfs/dbraw/zinc/13/18/74/635131874.db2.gz UVWVTSQJOILVIV-RKDXNWHRSA-N 0 0 291.288 3.394 20 10 CGCDRN C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc(N)cc2)cn1 ZINC000841295960 635148554 /nfs/dbraw/zinc/14/85/54/635148554.db2.gz KZUUZILRIUZREB-JTQLQIEISA-N 0 0 285.351 3.080 20 10 CGCDRN CCSCC[C@H](C)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299504 635149408 /nfs/dbraw/zinc/14/94/08/635149408.db2.gz HZRAJZDUVHARNN-NSHDSACASA-N 0 0 281.425 3.264 20 10 CGCDRN CCc1nc([C@@H](C)NC(=O)Nc2ccc(N)cc2)cs1 ZINC000841301021 635150507 /nfs/dbraw/zinc/15/05/07/635150507.db2.gz ZPGAGADXGRGCIZ-SECBINFHSA-N 0 0 290.392 3.170 20 10 CGCDRN CCC[C@H](NC(=O)Nc1ccc(N)cc1)c1ccccn1 ZINC000841300973 635150599 /nfs/dbraw/zinc/15/05/99/635150599.db2.gz YDMHTGLXRBDJFT-HNNXBMFYSA-N 0 0 284.363 3.327 20 10 CGCDRN CC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841709804 635217351 /nfs/dbraw/zinc/21/73/51/635217351.db2.gz MGDNOZDDNOCICV-GOEBONIOSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1[O-] ZINC000841743842 635221978 /nfs/dbraw/zinc/22/19/78/635221978.db2.gz CIEUGSLXFWZFAH-CQDKDKBSSA-N 0 0 294.826 3.323 20 10 CGCDRN C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748655 635224185 /nfs/dbraw/zinc/22/41/85/635224185.db2.gz XYIAAYIIDSGEBO-QWRGUYRKSA-N 0 0 291.782 3.117 20 10 CGCDRN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])[nH]n1 ZINC000841752301 635225036 /nfs/dbraw/zinc/22/50/36/635225036.db2.gz SJUMCOKQHAKFRT-GXSJLCMTSA-N 0 0 293.798 3.359 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(Cl)cc1[O-] ZINC000841753471 635227694 /nfs/dbraw/zinc/22/76/94/635227694.db2.gz UIIKIFDYRSUSPC-MJVIPROJSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841756730 635229795 /nfs/dbraw/zinc/22/97/95/635229795.db2.gz JOZSLPPDOFVDOU-AUTRQRHGSA-N 0 0 271.813 3.448 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(F)cc1[O-] ZINC000841758423 635231324 /nfs/dbraw/zinc/23/13/24/635231324.db2.gz AUNIRQQBCSGTSA-MEDUHNTESA-N 0 0 287.334 3.453 20 10 CGCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000878220151 635419960 /nfs/dbraw/zinc/41/99/60/635419960.db2.gz ZSNFOWXIZSVVAQ-WMZOPIPTSA-N 0 0 298.430 3.339 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)nnn3C)c1 ZINC000842899455 635509494 /nfs/dbraw/zinc/50/94/94/635509494.db2.gz AZPSJVHANMYWHP-LLVKDONJSA-N 0 0 282.347 3.155 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CO)C[C@@H](C)CC)c1ccc(F)cc1[O-] ZINC000842919852 635511633 /nfs/dbraw/zinc/51/16/33/635511633.db2.gz ZEQQAUOKDZQRAY-NJZAAPMLSA-N 0 0 283.387 3.369 20 10 CGCDRN CC(C)CCO[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159448 635589086 /nfs/dbraw/zinc/58/90/86/635589086.db2.gz PQIYXJWEOSFCHT-GFCCVEGCSA-N 0 0 289.379 3.366 20 10 CGCDRN CC(C)O[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843413409 635661658 /nfs/dbraw/zinc/66/16/58/635661658.db2.gz HWTAIZYBYVDOJD-GFCCVEGCSA-N 0 0 287.762 3.184 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCOC[C@H]1C1CCC1 ZINC000843428864 635672348 /nfs/dbraw/zinc/67/23/48/635672348.db2.gz OCAKRNSCZPJZSH-AWEZNQCLSA-N 0 0 281.783 3.047 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C\C2CCCC2)cc1F ZINC000843538777 635695079 /nfs/dbraw/zinc/69/50/79/635695079.db2.gz LCWJMQGWGMQGJX-NTMALXAHSA-N 0 0 290.382 3.254 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C/C2CCCC2)cc1F ZINC000843538776 635695508 /nfs/dbraw/zinc/69/55/08/635695508.db2.gz LCWJMQGWGMQGJX-CSKARUKUSA-N 0 0 290.382 3.254 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CO[C@@H](C)C2)cc1 ZINC000843733437 635766690 /nfs/dbraw/zinc/76/66/90/635766690.db2.gz SRQFAJCRMLPSBX-GOEBONIOSA-N 0 0 298.386 3.001 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cnn(C(C)(C)C)c1 ZINC000127713731 635773364 /nfs/dbraw/zinc/77/33/64/635773364.db2.gz YSOQDOSQGVQHHD-UHFFFAOYSA-N 0 0 285.391 3.209 20 10 CGCDRN O=C(NC1(c2ccccc2F)CCC1)C1=CC(=O)CS1 ZINC000844147575 635827802 /nfs/dbraw/zinc/82/78/02/635827802.db2.gz FVYSJPYJOJLKMC-UHFFFAOYSA-N 0 0 291.347 3.402 20 10 CGCDRN CC(C)c1cnc(CN[C@@H](C)c2ccccc2O)o1 ZINC000879651036 635827900 /nfs/dbraw/zinc/82/79/00/635827900.db2.gz FHZOPYWRKUEJAZ-NSHDSACASA-N 0 0 260.337 3.354 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cc2n(n1)CCCC2 ZINC000844273475 635853445 /nfs/dbraw/zinc/85/34/45/635853445.db2.gz GPSHEFICCPUFKK-UHFFFAOYSA-N 0 0 297.402 3.181 20 10 CGCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000844307427 635865578 /nfs/dbraw/zinc/86/55/78/635865578.db2.gz QNCIAMPCVBJRNC-CTYIDZIISA-N 0 0 274.408 3.195 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000074261763 635870247 /nfs/dbraw/zinc/87/02/47/635870247.db2.gz PGOYMQPBCITSRO-VXGBXAGGSA-N 0 0 294.395 3.025 20 10 CGCDRN COc1ccc(N(C)Cc2noc3c2CCCC3)cc1 ZINC000844353274 635877367 /nfs/dbraw/zinc/87/73/67/635877367.db2.gz KARCLTCXFZVFSF-UHFFFAOYSA-N 0 0 272.348 3.198 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C(C)C)o2)cc1 ZINC000844353301 635877543 /nfs/dbraw/zinc/87/75/43/635877543.db2.gz LUUQABMTZBSKBC-UHFFFAOYSA-N 0 0 260.337 3.443 20 10 CGCDRN CCC[C@H](CC)NC(=O)NCc1cc(Cl)ccc1O ZINC000844936374 635988061 /nfs/dbraw/zinc/98/80/61/635988061.db2.gz ORBKKGZPVUDDIB-LBPRGKRZSA-N 0 0 284.787 3.424 20 10 CGCDRN CO[C@H](C)c1nsc(NCc2cc(Cl)ccc2O)n1 ZINC000845708552 636084078 /nfs/dbraw/zinc/08/40/78/636084078.db2.gz GRYJJGDKKVMSGC-SSDOTTSWSA-N 0 0 299.783 3.217 20 10 CGCDRN CC(C)(C)c1nc(NCc2cc(Cl)ccc2O)no1 ZINC000845708569 636084230 /nfs/dbraw/zinc/08/42/30/636084230.db2.gz HGVHIYZLDANMEG-UHFFFAOYSA-N 0 0 281.743 3.338 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1C1CCC1 ZINC000845834526 636105547 /nfs/dbraw/zinc/10/55/47/636105547.db2.gz QCUGKVUTWKIASW-JKSUJKDBSA-N 0 0 299.414 3.323 20 10 CGCDRN COc1ccc(N(C)Cc2cncn2C(C)C)cc1 ZINC000845999278 636128428 /nfs/dbraw/zinc/12/84/28/636128428.db2.gz WAHVTQPDZUOOSF-UHFFFAOYSA-N 0 0 259.353 3.109 20 10 CGCDRN COCc1ccnc(N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000846116989 636146698 /nfs/dbraw/zinc/14/66/98/636146698.db2.gz JAZCXLVBTGRDCD-NSHDSACASA-N 0 0 288.347 3.115 20 10 CGCDRN COc1cccc([C@@H](C)Nc2cnn(CC(C)C)c2)c1O ZINC000846161147 636151056 /nfs/dbraw/zinc/15/10/56/636151056.db2.gz VFFFKWKMZNWCPV-GFCCVEGCSA-N 0 0 289.379 3.426 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000846205910 636158563 /nfs/dbraw/zinc/15/85/63/636158563.db2.gz UDNIMGYBNKXOEC-VHSXEESVSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000846205908 636158688 /nfs/dbraw/zinc/15/86/88/636158688.db2.gz UDNIMGYBNKXOEC-NXEZZACHSA-N 0 0 285.334 3.136 20 10 CGCDRN Nc1ccc(CNC(=O)/C=C\C2CCCCCC2)cc1 ZINC000846298805 636172955 /nfs/dbraw/zinc/17/29/55/636172955.db2.gz QUQMIENKLWVPLX-XFXZXTDPSA-N 0 0 272.392 3.412 20 10 CGCDRN O=C(C=C(C1CC1)C1CC1)NCc1cc(Cl)ccc1O ZINC000846471783 636187190 /nfs/dbraw/zinc/18/71/90/636187190.db2.gz AOKQLZXJMCMMRV-UHFFFAOYSA-N 0 0 291.778 3.408 20 10 CGCDRN C[C@]1(C(=O)NCc2cc(Cl)ccc2O)C[C@H]2C[C@H]2C1 ZINC000846475657 636188232 /nfs/dbraw/zinc/18/82/32/636188232.db2.gz DTUIRRROYPOOQA-RTUWITSCSA-N 0 0 279.767 3.098 20 10 CGCDRN CC1(C)CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474042 636188238 /nfs/dbraw/zinc/18/82/38/636188238.db2.gz RJERNPFKOUMZIS-SNVBAGLBSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@H]1C1CCCC1 ZINC000846477498 636188794 /nfs/dbraw/zinc/18/87/94/636188794.db2.gz RLFPEIVKGZBGHE-KBPBESRZSA-N 0 0 293.794 3.488 20 10 CGCDRN COc1ccc(N(Cc2cnsn2)C(C)C)cc1F ZINC000846822367 636252225 /nfs/dbraw/zinc/25/22/25/636252225.db2.gz NOEBLCFHLZYHQN-UHFFFAOYSA-N 0 0 281.356 3.101 20 10 CGCDRN FC(F)(F)c1nnc(CSc2nccs2)s1 ZINC000882108691 636256126 /nfs/dbraw/zinc/25/61/26/636256126.db2.gz CGIKMCBAUBTWGY-UHFFFAOYSA-N 0 0 283.325 3.306 20 10 CGCDRN CC[C@@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846997257 636304910 /nfs/dbraw/zinc/30/49/10/636304910.db2.gz WGSPACYYOSIPHD-CYBMUJFWSA-N 0 0 262.378 3.017 20 10 CGCDRN Cc1cccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000130999052 636541066 /nfs/dbraw/zinc/54/10/66/636541066.db2.gz BIRDYAIWNHTJFN-UHFFFAOYSA-N 0 0 259.328 3.207 20 10 CGCDRN COc1c(C)cccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883161828 636560200 /nfs/dbraw/zinc/56/02/00/636560200.db2.gz CADBUJZJBQHXCT-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN CCc1cccc(CNc2ccn(CC(F)(F)F)n2)c1O ZINC000848900970 636681769 /nfs/dbraw/zinc/68/17/69/636681769.db2.gz MOABGRPFURSCBR-UHFFFAOYSA-N 0 0 299.296 3.326 20 10 CGCDRN C[C@H](N[C@@H](C)C(F)F)c1cc(Br)ccc1O ZINC000883399208 636740299 /nfs/dbraw/zinc/74/02/99/636740299.db2.gz HJWKOZQYYZXMEB-BQBZGAKWSA-N 0 0 294.139 3.459 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132468146 636810088 /nfs/dbraw/zinc/81/00/88/636810088.db2.gz WNXGJPFCBSRLKF-SNVBAGLBSA-N 0 0 284.197 3.387 20 10 CGCDRN CN(C)c1ccc(CNc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000132490101 636813307 /nfs/dbraw/zinc/81/33/07/636813307.db2.gz CQLRUEUGQZAAJE-UHFFFAOYSA-N 0 0 289.310 3.412 20 10 CGCDRN CCc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000132761142 636836096 /nfs/dbraw/zinc/83/60/96/636836096.db2.gz NJXXSDVSJTVKQA-UHFFFAOYSA-N 0 0 286.375 3.146 20 10 CGCDRN Cc1cccc(N(C)Cc2cc3c(cc2O)OCO3)c1 ZINC000132860299 636843353 /nfs/dbraw/zinc/84/33/53/636843353.db2.gz ZTIKCHFXDRVXQC-UHFFFAOYSA-N 0 0 271.316 3.066 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC[C@H](C)O ZINC000849704916 636849807 /nfs/dbraw/zinc/84/98/07/636849807.db2.gz HPLFSLMEECIDSO-LBPRGKRZSA-N 0 0 293.388 3.083 20 10 CGCDRN CC(C)OC(=O)CCSc1ncc(Cl)s1 ZINC000850000198 636925037 /nfs/dbraw/zinc/92/50/37/636925037.db2.gz LZBCNSVPKYUGPE-UHFFFAOYSA-N 0 0 265.787 3.230 20 10 CGCDRN CCCCNC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999763 636925154 /nfs/dbraw/zinc/92/51/54/636925154.db2.gz XLQULEHHMBDWFB-ZETCQYMHSA-N 0 0 278.830 3.193 20 10 CGCDRN CCOc1ccc(C[NH2+]Cc2ccccc2O)c(C)c1 ZINC000850113846 636960864 /nfs/dbraw/zinc/96/08/64/636960864.db2.gz XIILVYLSMSCKFR-UHFFFAOYSA-N 0 0 271.360 3.389 20 10 CGCDRN COc1cc(CNc2ccn(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850184181 636977272 /nfs/dbraw/zinc/97/72/72/636977272.db2.gz MHBKJYFISISQFJ-UHFFFAOYSA-N 0 0 289.379 3.044 20 10 CGCDRN CCn1ccc(NC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000850364129 637030035 /nfs/dbraw/zinc/03/00/35/637030035.db2.gz YQYFKTCZUJDRNZ-AATRIKPKSA-N 0 0 270.380 3.094 20 10 CGCDRN CC[C@@H](C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850505100 637092897 /nfs/dbraw/zinc/09/28/97/637092897.db2.gz MQXXNMREMGWMPX-GHMZBOCLSA-N 0 0 266.341 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C1CC1 ZINC000850541328 637115107 /nfs/dbraw/zinc/11/51/07/637115107.db2.gz YREYIWXAMYGAMD-HZMBPMFUSA-N 0 0 277.364 3.018 20 10 CGCDRN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(Cl)cc1[O-] ZINC000850546579 637116787 /nfs/dbraw/zinc/11/67/87/637116787.db2.gz MWRNYQKVERNWRZ-CMPLNLGQSA-N 0 0 283.799 3.105 20 10 CGCDRN C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850558078 637122789 /nfs/dbraw/zinc/12/27/89/637122789.db2.gz ZFZSLAXXZYABKO-OTYXRUKQSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)C1CCC(F)CC1 ZINC000850750603 637144980 /nfs/dbraw/zinc/14/49/80/637144980.db2.gz MDGNFTVGAKINFS-VOMCLLRMSA-N 0 0 279.359 3.307 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2C[C@H]3C[C@H]3C2)cc1OC ZINC000851734626 637484106 /nfs/dbraw/zinc/48/41/06/637484106.db2.gz IXVGTIYPJKFQPT-CLLJXQQHSA-N 0 0 261.365 3.186 20 10 CGCDRN Cc1csc(CC[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886501445 637543952 /nfs/dbraw/zinc/54/39/52/637543952.db2.gz KYKDRLJCTIBWBG-SNVBAGLBSA-N 0 0 280.368 3.190 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1c([O-])cccc1F ZINC000886508578 637546006 /nfs/dbraw/zinc/54/60/06/637546006.db2.gz FNZVIUSJRUPNHP-BMIGLBTASA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886510863 637546574 /nfs/dbraw/zinc/54/65/74/637546574.db2.gz BGWDCQKJNXORGY-RYUDHWBXSA-N 0 0 289.350 3.435 20 10 CGCDRN CCOC1CC(CC[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886599012 637598843 /nfs/dbraw/zinc/59/88/43/637598843.db2.gz PDQAICROBDABON-PNESKVBLSA-N 0 0 281.371 3.387 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886602942 637600502 /nfs/dbraw/zinc/60/05/02/637600502.db2.gz CUSAHPUECKYBPM-VIFPVBQESA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1c([O-])cccc1F ZINC000886610461 637603093 /nfs/dbraw/zinc/60/30/93/637603093.db2.gz BRLHRVAOQOBUMS-NVGCLXPQSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1c([O-])cccc1F ZINC000886626709 637616277 /nfs/dbraw/zinc/61/62/77/637616277.db2.gz JCTRYJMQKYYCEG-XHDPSFHLSA-N 0 0 287.334 3.453 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1c([O-])cccc1F ZINC000886638497 637623095 /nfs/dbraw/zinc/62/30/95/637623095.db2.gz WARDXTGCRQJDCW-UFBFGSQYSA-N 0 0 259.271 3.227 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1O ZINC000852479028 637658899 /nfs/dbraw/zinc/65/88/99/637658899.db2.gz CJJNPMAPWKWOGT-LLVKDONJSA-N 0 0 264.369 3.016 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1c([O-])cccc1F ZINC000886720316 637673440 /nfs/dbraw/zinc/67/34/40/637673440.db2.gz ZTABLBBFFNXIFA-NEPJUHHUSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H](NC(=O)N[C@]1(C)CC1(C)C)c1ccc(N(C)C)cc1 ZINC000854003237 637969621 /nfs/dbraw/zinc/96/96/21/637969621.db2.gz GKUZIZKWFNGOTI-YVEFUNNKSA-N 0 0 289.423 3.301 20 10 CGCDRN Cc1cc(CC(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000854116450 637988437 /nfs/dbraw/zinc/98/84/37/637988437.db2.gz JYHXMXOJXJYUNN-UHFFFAOYSA-N 0 0 270.376 3.161 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(C)c2)cc1F ZINC000856728613 638377095 /nfs/dbraw/zinc/37/70/95/638377095.db2.gz WBEUOMIXWQSLJP-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(C)c2)c(OC)c1 ZINC000856731048 638378221 /nfs/dbraw/zinc/37/82/21/638378221.db2.gz JAJPIUGMIZJTIL-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H]1C ZINC000115678339 638577137 /nfs/dbraw/zinc/57/71/37/638577137.db2.gz DMBDYADSAAMWAU-MLGOLLRUSA-N 0 0 289.423 3.049 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)C1CC1 ZINC000115854752 638627212 /nfs/dbraw/zinc/62/72/12/638627212.db2.gz CZFUSCWYVXBSPR-ZDUSSCGKSA-N 0 0 289.423 3.001 20 10 CGCDRN Cc1cccc(NCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858101350 638628218 /nfs/dbraw/zinc/62/82/18/638628218.db2.gz LVDNMLJNXGNUQA-UHFFFAOYSA-N 0 0 277.318 3.346 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC2(C)C)c1 ZINC000858271969 638669195 /nfs/dbraw/zinc/66/91/95/638669195.db2.gz QIGJDAINDVJIIZ-AWEZNQCLSA-N 0 0 276.380 3.079 20 10 CGCDRN CC[C@@H](NC(=O)NCc1cc(C)ccc1O)C1CCCC1 ZINC000858520341 638753765 /nfs/dbraw/zinc/75/37/65/638753765.db2.gz GSGNZDFJYOKDOW-OAHLLOKOSA-N 0 0 290.407 3.469 20 10 CGCDRN CCc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC000858589325 638997988 /nfs/dbraw/zinc/99/79/88/638997988.db2.gz HQJUJELUCBZKGW-UHFFFAOYSA-N 0 0 298.386 3.262 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858602734 639001213 /nfs/dbraw/zinc/00/12/13/639001213.db2.gz HKPWLGINAOEBSV-LBPRGKRZSA-N 0 0 278.396 3.325 20 10 CGCDRN C/C=C\CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000858889705 639038141 /nfs/dbraw/zinc/03/81/41/639038141.db2.gz IWVBEBZJUWDJSP-YVMONPNESA-N 0 0 289.423 3.250 20 10 CGCDRN Cc1cc(CNC(=O)N(C)C)c(C)n1-c1cccc(C)c1 ZINC000859362712 639133046 /nfs/dbraw/zinc/13/30/46/639133046.db2.gz IWSOOWHQUOQPCU-UHFFFAOYSA-N 0 0 285.391 3.174 20 10 CGCDRN CCN(C)c1ccc(CN[C@@H](c2ncccn2)C2CC2)cc1 ZINC000932355762 639320693 /nfs/dbraw/zinc/32/06/93/639320693.db2.gz ZKRXOQHLTIIHPL-QGZVFWFLSA-N 0 0 296.418 3.174 20 10 CGCDRN CCC[C@@H](C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862028387 639636459 /nfs/dbraw/zinc/63/64/59/639636459.db2.gz XUFABXCYABUBFF-GFCCVEGCSA-N 0 0 286.375 3.383 20 10 CGCDRN O=C(CSc1nccs1)Nc1ccc(F)cc1 ZINC000047238751 640006472 /nfs/dbraw/zinc/00/64/72/640006472.db2.gz DJMPOUZCQWOPAT-UHFFFAOYSA-N 0 0 268.338 3.013 20 10 CGCDRN CCC(C)(CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000158562275 640009703 /nfs/dbraw/zinc/00/97/03/640009703.db2.gz MRDPFWNDFHSFJM-UHFFFAOYSA-N 0 0 262.397 3.195 20 10 CGCDRN COc1cccc(C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000192954803 640421813 /nfs/dbraw/zinc/42/18/13/640421813.db2.gz NCKDWXLDIPRSHC-VQHVLOKHSA-N 0 0 299.326 3.067 20 10 CGCDRN COCc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000195104998 640566853 /nfs/dbraw/zinc/56/68/53/640566853.db2.gz MCAXWVJJMYXGGO-UHFFFAOYSA-N 0 0 273.332 3.159 20 10 CGCDRN CCC[C@H](CC)NC(=O)N(C)Cc1ccccc1O ZINC000195395302 640583477 /nfs/dbraw/zinc/58/34/77/640583477.db2.gz FKQZPCUWMPMGBK-ZDUSSCGKSA-N 0 0 264.369 3.112 20 10 CGCDRN CCC[C@@H](CC)NC(=O)N(C)Cc1ccccc1O ZINC000195395297 640583833 /nfs/dbraw/zinc/58/38/33/640583833.db2.gz FKQZPCUWMPMGBK-CYBMUJFWSA-N 0 0 264.369 3.112 20 10 CGCDRN CCc1nn(C)cc1NCc1ccc(N(CC)CC)cc1 ZINC000091070792 640700015 /nfs/dbraw/zinc/70/00/15/640700015.db2.gz JBQBSQWHJJSHCI-UHFFFAOYSA-N 0 0 286.423 3.441 20 10 CGCDRN Oc1ccc(-c2nc3c(cc(Cl)cc3F)[nH]2)cc1O ZINC001250464594 805632060 /nfs/dbraw/zinc/63/20/60/805632060.db2.gz FIUOPKXZYQTHEL-UHFFFAOYSA-N 0 0 278.670 3.434 20 10 CGCDRN Cc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156920819 805752587 /nfs/dbraw/zinc/75/25/87/805752587.db2.gz GUPUZUIYLTZCAZ-UHFFFAOYSA-N 0 0 255.365 3.092 20 10 CGCDRN CC[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041251 805767734 /nfs/dbraw/zinc/76/77/34/805767734.db2.gz ADAUOEDJTFGDJS-BXUZGUMPSA-N 0 0 269.344 3.208 20 10 CGCDRN Oc1cc(-c2nc3c(cc(Cl)cc3F)[nH]2)cc(O)c1O ZINC001251248310 805872355 /nfs/dbraw/zinc/87/23/55/805872355.db2.gz KIDSWURJGSKLJF-UHFFFAOYSA-N 0 0 294.669 3.139 20 10 CGCDRN Cc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001159034571 806035304 /nfs/dbraw/zinc/03/53/04/806035304.db2.gz XQUGGBXBLPLOGY-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN CCCCOC[C@@H](O)CNc1ccccc1OCCC ZINC001252522863 806055431 /nfs/dbraw/zinc/05/54/31/806055431.db2.gz GVRSMBLRFPBXGO-AWEZNQCLSA-N 0 0 281.396 3.065 20 10 CGCDRN Nc1ccc(Nc2c[nH]c(=O)c3ccccc23)cc1 ZINC001159220382 806060962 /nfs/dbraw/zinc/06/09/62/806060962.db2.gz PQIDBVMGPAFWCW-UHFFFAOYSA-N 0 0 251.289 3.266 20 10 CGCDRN Cc1c(Br)c[nH]c(=O)c1Nc1ccc(N)cc1 ZINC001159304403 806077655 /nfs/dbraw/zinc/07/76/55/806077655.db2.gz VSGXHJQSVDXIMW-UHFFFAOYSA-N 0 0 294.152 3.184 20 10 CGCDRN Nc1ccc(Nc2cccc3[nH]c(=O)ccc23)cc1 ZINC001159485185 806112334 /nfs/dbraw/zinc/11/23/34/806112334.db2.gz GOOOTHJQKJAMDJ-UHFFFAOYSA-N 0 0 251.289 3.266 20 10 CGCDRN CCc1ccc(-c2nnc(-c3ccc(O)c(O)c3O)o2)cc1 ZINC001252952969 806139687 /nfs/dbraw/zinc/13/96/87/806139687.db2.gz BMNBHHHHIIGNCC-UHFFFAOYSA-N 0 0 298.298 3.083 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(O)c(-c2nnc(C)o2)c1 ZINC001253456299 806220878 /nfs/dbraw/zinc/22/08/78/806220878.db2.gz BQSDVDBPXYURPX-UHFFFAOYSA-N 0 0 269.304 3.158 20 10 CGCDRN CCCOc1ccccc1NC[C@@H](O)COC(C)(C)C ZINC001253468581 806223363 /nfs/dbraw/zinc/22/33/63/806223363.db2.gz VSLMXNFYXAUHMV-CYBMUJFWSA-N 0 0 281.396 3.063 20 10 CGCDRN CSc1ccnc(NCc2c(C)cc(C)cc2O)n1 ZINC001160807739 806304068 /nfs/dbraw/zinc/30/40/68/806304068.db2.gz BFYOCUVLNRLYKA-UHFFFAOYSA-N 0 0 275.377 3.133 20 10 CGCDRN CC(C)[C@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001253772586 806305278 /nfs/dbraw/zinc/30/52/78/806305278.db2.gz JPWNSSPCOVEMFY-MRXNPFEDSA-N 0 0 281.355 3.327 20 10 CGCDRN Cc1cc(C)c(CNc2cncc(OC(C)C)n2)c(O)c1 ZINC001160811618 806307286 /nfs/dbraw/zinc/30/72/86/806307286.db2.gz SGAMNWZSSXKFCZ-UHFFFAOYSA-N 0 0 287.363 3.198 20 10 CGCDRN Nc1ccc(CNc2cc(-c3ccccc3)ncn2)cc1 ZINC001162786944 806666284 /nfs/dbraw/zinc/66/62/84/806666284.db2.gz CYKAJAPQMNVSAI-UHFFFAOYSA-N 0 0 276.343 3.338 20 10 CGCDRN CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000027536688 798843161 /nfs/dbraw/zinc/84/31/61/798843161.db2.gz LBIDLGMOWNHZRC-AWEZNQCLSA-N 0 0 293.407 3.006 20 10 CGCDRN CCNC(=O)c1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000036952641 798852959 /nfs/dbraw/zinc/85/29/59/798852959.db2.gz BAZGZFZPUGNAJE-LBPRGKRZSA-N 0 0 284.359 3.315 20 10 CGCDRN Oc1ccccc1CNc1cnn(Cc2ccccc2)c1 ZINC000037784981 798874374 /nfs/dbraw/zinc/87/43/74/798874374.db2.gz ZPLOHKYXUNWUER-UHFFFAOYSA-N 0 0 279.343 3.249 20 10 CGCDRN COc1ccc(O)c(CNc2ccnc(Cl)c2)c1 ZINC000149202140 799052290 /nfs/dbraw/zinc/05/22/90/799052290.db2.gz BDUYBEPHEMIVDE-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN OCCCc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000315617476 799237098 /nfs/dbraw/zinc/23/70/98/799237098.db2.gz VICVGFPNMFVDJA-MRXNPFEDSA-N 0 0 283.371 3.417 20 10 CGCDRN CCOc1cccc(-c2noc(-c3cccc(O)c3O)n2)c1 ZINC000318371030 799245811 /nfs/dbraw/zinc/24/58/11/799245811.db2.gz ZQAORNQVSBXYJH-UHFFFAOYSA-N 0 0 298.298 3.214 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000380298387 799361423 /nfs/dbraw/zinc/36/14/23/799361423.db2.gz SGJGQTOSWVCKEQ-UHFFFAOYSA-N 0 0 273.380 3.457 20 10 CGCDRN CC[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccccc1O ZINC000386192411 799433322 /nfs/dbraw/zinc/43/33/22/799433322.db2.gz IMENSEOMIGNOIQ-ZDUSSCGKSA-N 0 0 298.342 3.286 20 10 CGCDRN COc1ncccc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000388637174 799454847 /nfs/dbraw/zinc/45/48/47/799454847.db2.gz BNVSQQVTYXKNGP-UHFFFAOYSA-N 0 0 295.386 3.180 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)O1 ZINC000394965898 799501857 /nfs/dbraw/zinc/50/18/57/799501857.db2.gz PVGBZWVTRFURKQ-RWYTXXIDSA-N 0 0 290.190 3.355 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000395239758 799503936 /nfs/dbraw/zinc/50/39/36/799503936.db2.gz YHUZLWUXORTJGA-IAQYHMDHSA-N 0 0 281.371 3.123 20 10 CGCDRN Oc1cccc2c1[C@H](N[C@@H]1CCCC1(F)F)CC2 ZINC000397970199 799524222 /nfs/dbraw/zinc/52/42/22/799524222.db2.gz SYFGPHYPLPHLRS-ZYHUDNBSSA-N 0 0 253.292 3.157 20 10 CGCDRN Cc1ccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403227 799688948 /nfs/dbraw/zinc/68/89/48/799688948.db2.gz BEMPUIFUMRZAOV-NTMALXAHSA-N 0 0 297.354 3.078 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588406032 799689174 /nfs/dbraw/zinc/68/91/74/799689174.db2.gz ADDLHEHEDPPTEG-OLSJYMTNSA-N 0 0 289.375 3.054 20 10 CGCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1O ZINC000588407433 799690314 /nfs/dbraw/zinc/69/03/14/799690314.db2.gz HMUPWSHVRUGOHC-YVMONPNESA-N 0 0 299.326 3.072 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cc(N)ncn1 ZINC001163486159 806769645 /nfs/dbraw/zinc/76/96/45/806769645.db2.gz FBKULYAXKVOGJE-INIZCTEOSA-N 0 0 298.390 3.117 20 10 CGCDRN CO[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000687211541 799737360 /nfs/dbraw/zinc/73/73/60/799737360.db2.gz BMARRNBRASVNIR-PWSUYJOCSA-N 0 0 269.772 3.045 20 10 CGCDRN CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000687211543 799737613 /nfs/dbraw/zinc/73/76/13/799737613.db2.gz BMARRNBRASVNIR-ZYHUDNBSSA-N 0 0 269.772 3.045 20 10 CGCDRN CCc1cccc(CN2CCCC(F)(F)C2)c1O ZINC000692116985 799791341 /nfs/dbraw/zinc/79/13/41/799791341.db2.gz XTARCTRWXZLZBG-UHFFFAOYSA-N 0 0 255.308 3.186 20 10 CGCDRN CCC(F)(F)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000697581511 799846802 /nfs/dbraw/zinc/84/68/02/799846802.db2.gz ARVNXYLEBXDCBI-NSHDSACASA-N 0 0 256.340 3.449 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CC(F)F ZINC000697752933 799848906 /nfs/dbraw/zinc/84/89/06/799848906.db2.gz NOUIPNSTIOEZRT-BDAKNGLRSA-N 0 0 261.287 3.473 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@@H]2C)c1O ZINC000706808760 799967942 /nfs/dbraw/zinc/96/79/42/799967942.db2.gz VGSYVRAFYLFFLY-BDAKNGLRSA-N 0 0 267.756 3.088 20 10 CGCDRN C[C@@H]1N(Cc2cc(Cl)ccc2O)CCOC1(C)C ZINC000707700843 799978532 /nfs/dbraw/zinc/97/85/32/799978532.db2.gz PNENETKDIKJLHJ-JTQLQIEISA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708455194 799987854 /nfs/dbraw/zinc/98/78/54/799987854.db2.gz UWKCBYSVOGZYQD-ZCFIWIBFSA-N 0 0 269.213 3.101 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1[O-] ZINC000711470743 800062183 /nfs/dbraw/zinc/06/21/83/800062183.db2.gz DFLHBLRVBBKJLJ-DGCLKSJQSA-N 0 0 279.355 3.284 20 10 CGCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCCCC1 ZINC000715704615 800144437 /nfs/dbraw/zinc/14/44/37/800144437.db2.gz XTJIZWUKXRQPQL-UHFFFAOYSA-N 0 0 288.160 3.280 20 10 CGCDRN C[C@H](F)CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715736952 800146410 /nfs/dbraw/zinc/14/64/10/800146410.db2.gz GHCUNGTUWXTVTO-ZETCQYMHSA-N 0 0 294.139 3.132 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(F)cc1[O-] ZINC000715997828 800158659 /nfs/dbraw/zinc/15/86/59/800158659.db2.gz LVOGWLNXQUFCFK-BDAKNGLRSA-N 0 0 266.341 3.400 20 10 CGCDRN CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000718370515 800215747 /nfs/dbraw/zinc/21/57/47/800215747.db2.gz AYGNLOLOVPVLMR-CHWSQXEVSA-N 0 0 283.799 3.483 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000723953388 800345286 /nfs/dbraw/zinc/34/52/86/800345286.db2.gz VPCMLOFPGZEXHB-JSGCOSHPSA-N 0 0 283.799 3.340 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)NCc2nnc(C3CC3)s2)c1 ZINC000840890499 800501354 /nfs/dbraw/zinc/50/13/54/800501354.db2.gz LMJKVFAJQYVXCQ-SNVBAGLBSA-N 0 0 289.404 3.280 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccns1 ZINC000886643278 800545711 /nfs/dbraw/zinc/54/57/11/800545711.db2.gz PXHBGOJQTHTYGK-IUCAKERBSA-N 0 0 266.341 3.400 20 10 CGCDRN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000903128888 800594536 /nfs/dbraw/zinc/59/45/36/800594536.db2.gz NARHVRRCGXLPDX-FOGDFJRCSA-N 0 0 297.782 3.038 20 10 CGCDRN CC(C)Cc1ccc(C(=O)NCc2ccc(N)cc2)s1 ZINC000906628776 800599390 /nfs/dbraw/zinc/59/93/90/800599390.db2.gz VUOBLCQPORTSGR-UHFFFAOYSA-N 0 0 288.416 3.459 20 10 CGCDRN Cc1ccsc1C(=O)Nc1c2nonc2ccc1Cl ZINC001116850397 802419727 /nfs/dbraw/zinc/41/97/27/802419727.db2.gz LYCXFBYOOUUCEO-UHFFFAOYSA-N 0 0 293.735 3.498 20 10 CGCDRN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(N)cc1)C2 ZINC001118085413 802524789 /nfs/dbraw/zinc/52/47/89/802524789.db2.gz DHDGJRNKCRXDKX-OAHLLOKOSA-N 0 0 284.384 3.233 20 10 CGCDRN C[C@@H](O)c1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001119952850 802713356 /nfs/dbraw/zinc/71/33/56/802713356.db2.gz FCOUVNKBEBCKGD-QWHCGFSZSA-N 0 0 285.391 3.374 20 10 CGCDRN Cc1sccc1CC(=O)NCc1cc(Cl)ccc1O ZINC001165499068 807006044 /nfs/dbraw/zinc/00/60/44/807006044.db2.gz UYTXGSBIKMBZOT-UHFFFAOYSA-N 0 0 295.791 3.274 20 10 CGCDRN CO[C@@H]1CC=C(c2ccc3c(c2)OCCN3C)CC1 ZINC001243817552 803029026 /nfs/dbraw/zinc/02/90/26/803029026.db2.gz XSGDGGWEDYAJQO-CQSZACIVSA-N 0 0 259.349 3.098 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2cnc(N)nc2)cc1 ZINC001243874706 803057809 /nfs/dbraw/zinc/05/78/09/803057809.db2.gz GACCJAKKMBCCAR-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1ccccc1N(C)C ZINC001127382202 803138684 /nfs/dbraw/zinc/13/86/84/803138684.db2.gz POMJRBREWSOVMP-QXMHVHEDSA-N 0 0 295.386 3.132 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1ccsc1 ZINC001130661198 803294656 /nfs/dbraw/zinc/29/46/56/803294656.db2.gz WMSWWDUMSARXRH-FLIBITNWSA-N 0 0 258.346 3.209 20 10 CGCDRN CCCNC(=S)Nc1ccccc1C(=O)c1ccncc1 ZINC001244896266 803567146 /nfs/dbraw/zinc/56/71/46/803567146.db2.gz UZUAJKAMOXJZRJ-UHFFFAOYSA-N 0 0 299.399 3.009 20 10 CGCDRN CCCC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136600810 803647473 /nfs/dbraw/zinc/64/74/73/803647473.db2.gz FODQLQPCKOOKAB-ZIAGYGMSSA-N 0 0 291.391 3.115 20 10 CGCDRN CCOC(=O)[C@@H](C)n1cc(-c2ccc3ccn(C)c3c2)cn1 ZINC001245330134 803701010 /nfs/dbraw/zinc/70/10/10/803701010.db2.gz MGSKPLHJUPFDIQ-GFCCVEGCSA-N 0 0 297.358 3.166 20 10 CGCDRN Cn1cc(-c2ccc3ccc(=O)n(C)c3c2)c2ccncc21 ZINC001245490846 803764120 /nfs/dbraw/zinc/76/41/20/803764120.db2.gz CMSBBPJKEFHFAW-UHFFFAOYSA-N 0 0 289.338 3.092 20 10 CGCDRN Oc1cccc(F)c1CN1CCC[C@H]1c1nccs1 ZINC001137838700 803780022 /nfs/dbraw/zinc/78/00/22/803780022.db2.gz HYTYMOXWVRTIFB-LBPRGKRZSA-N 0 0 278.352 3.325 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCCc2ccccc2C1 ZINC001137837585 803780140 /nfs/dbraw/zinc/78/01/40/803780140.db2.gz MQLKDUHHCVTKRR-UHFFFAOYSA-N 0 0 271.335 3.480 20 10 CGCDRN Oc1cccc(F)c1CN1Cc2ccc(F)cc2C1 ZINC001137837514 803780908 /nfs/dbraw/zinc/78/09/08/803780908.db2.gz JVWPWMQTXDUFMD-UHFFFAOYSA-N 0 0 261.271 3.186 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001137837816 803781461 /nfs/dbraw/zinc/78/14/61/803781461.db2.gz VRRDEUASQJCJSB-HNNXBMFYSA-N 0 0 272.323 3.263 20 10 CGCDRN Cc1cc2c(cccc2-c2cnc(N)c(C)c2)n1C ZINC001245541315 803800047 /nfs/dbraw/zinc/80/00/47/803800047.db2.gz QDGWVBRLPIWLAD-UHFFFAOYSA-N 0 0 251.333 3.439 20 10 CGCDRN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCC1=O ZINC001138215542 803874657 /nfs/dbraw/zinc/87/46/57/803874657.db2.gz JGTZKQZVAQQCMX-HNNXBMFYSA-N 0 0 286.419 3.088 20 10 CGCDRN C[C@@H]1CC(=O)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215534 803874717 /nfs/dbraw/zinc/87/47/17/803874717.db2.gz IXDAQRGEHWLEAK-OAHLLOKOSA-N 0 0 286.419 3.230 20 10 CGCDRN Cc1c(CN(C)CC(F)F)c2ccccc2n1C ZINC001138260552 803883654 /nfs/dbraw/zinc/88/36/54/803883654.db2.gz KBIAFKFZCHSHFG-UHFFFAOYSA-N 0 0 252.308 3.184 20 10 CGCDRN C[C@@H]1c2cccn2CCN1Cc1ccc2c(c1)CCCN2C ZINC001138356539 803901008 /nfs/dbraw/zinc/90/10/08/803901008.db2.gz QQRJQKGCUOITRE-OAHLLOKOSA-N 0 0 295.430 3.447 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684384 804251699 /nfs/dbraw/zinc/25/16/99/804251699.db2.gz IGMGJWUIJFDMDZ-NXEZZACHSA-N 0 0 255.308 3.433 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001139685751 804251994 /nfs/dbraw/zinc/25/19/94/804251994.db2.gz VSYJUXHGCPNEEE-OAHLLOKOSA-N 0 0 290.313 3.403 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@H+](CC1CC1)C1CC1 ZINC001139687538 804254592 /nfs/dbraw/zinc/25/45/92/804254592.db2.gz OTXUPPASKHOBFJ-UHFFFAOYSA-N 0 0 253.292 3.045 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001140462447 804441675 /nfs/dbraw/zinc/44/16/75/804441675.db2.gz GPSMWDSBVZXMIJ-NSHDSACASA-N 0 0 279.689 3.225 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCc2ccsc2C1 ZINC001140583452 804466361 /nfs/dbraw/zinc/46/63/61/804466361.db2.gz HLUQMZVKFVIKRZ-UHFFFAOYSA-N 0 0 281.327 3.290 20 10 CGCDRN CC(=O)CCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935164 807013534 /nfs/dbraw/zinc/01/35/34/807013534.db2.gz FJIVMHYOOQERBH-UHFFFAOYSA-N 0 0 281.315 3.049 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC001140925590 804551275 /nfs/dbraw/zinc/55/12/75/804551275.db2.gz RXBZRBVRAQOIDT-UHFFFAOYSA-N 0 0 296.842 3.407 20 10 CGCDRN Cc1ccc(C[N@H+](C)CCCC(=O)c2cccnc2)c(O)c1 ZINC001140951049 804557596 /nfs/dbraw/zinc/55/75/96/804557596.db2.gz WDCIPEIKCPHPBB-UHFFFAOYSA-N 0 0 298.386 3.191 20 10 CGCDRN FC1(F)CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074480 804584830 /nfs/dbraw/zinc/58/48/30/804584830.db2.gz JJNBXJQCRXIBJI-UHFFFAOYSA-N 0 0 292.373 3.226 20 10 CGCDRN CCC/C=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001142418856 804721778 /nfs/dbraw/zinc/72/17/78/804721778.db2.gz MBTUZDCXPFIIEP-WHLNPGIBSA-N 0 0 288.435 3.465 20 10 CGCDRN CCC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001142715008 804760622 /nfs/dbraw/zinc/76/06/22/804760622.db2.gz NOAOFBAVDOEGIQ-BNLGSUAWSA-N 0 0 269.308 3.015 20 10 CGCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC001143703010 804886602 /nfs/dbraw/zinc/88/66/02/804886602.db2.gz ITJVVWNRSXQHJF-JSGCOSHPSA-N 0 0 291.391 3.495 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cc[nH]c1 ZINC001146892154 805097138 /nfs/dbraw/zinc/09/71/38/805097138.db2.gz QMMFAFCWEDCWJM-MRXNPFEDSA-N 0 0 298.386 3.391 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C/c2cccc(F)c2)c1 ZINC001147962707 805157195 /nfs/dbraw/zinc/15/71/95/805157195.db2.gz ZSMUVIQKTFSPFD-SOFGYWHQSA-N 0 0 285.318 3.169 20 10 CGCDRN CC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCCC1 ZINC001152556098 805353998 /nfs/dbraw/zinc/35/39/98/805353998.db2.gz ZHYSPJHSKUBNOV-UHFFFAOYSA-N 0 0 291.391 3.117 20 10 CGCDRN Nc1ccc(Nc2ccc(CO)c(F)c2Cl)cc1 ZINC001250298719 805551879 /nfs/dbraw/zinc/55/18/79/805551879.db2.gz UWHQTWBGDPZNIL-UHFFFAOYSA-N 0 0 266.703 3.297 20 10 CGCDRN O[C@@H]1CC[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256975382 807022533 /nfs/dbraw/zinc/02/25/33/807022533.db2.gz XWVOYOABNANORN-DZGCQCFKSA-N 0 0 295.342 3.156 20 10 CGCDRN COC(=O)c1cc(N(C)c2ccc(N)cc2)ccc1C ZINC001212628263 815089239 /nfs/dbraw/zinc/08/92/39/815089239.db2.gz XDBQCBZWHPWATN-UHFFFAOYSA-N 0 0 270.332 3.132 20 10 CGCDRN Oc1ccc(NCc2ccc(-c3ncon3)cc2)cc1 ZINC001167097824 807149926 /nfs/dbraw/zinc/14/99/26/807149926.db2.gz VAKYXRUYEJWHII-UHFFFAOYSA-N 0 0 267.288 3.054 20 10 CGCDRN Fc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212679527 815101649 /nfs/dbraw/zinc/10/16/49/815101649.db2.gz IBQKLSFHSAZQIU-UHFFFAOYSA-N 0 0 288.307 3.272 20 10 CGCDRN CC(C)CCCN1CCOc2cc(N(C)C)ccc21 ZINC001168860343 807532041 /nfs/dbraw/zinc/53/20/41/807532041.db2.gz XOGRASOMEIQRKW-UHFFFAOYSA-N 0 0 262.397 3.388 20 10 CGCDRN Oc1ccc(CNc2cc(Cl)nc3[nH]ccc32)cc1O ZINC001169992760 807735388 /nfs/dbraw/zinc/73/53/88/807735388.db2.gz DLXVLWTXCUOVFP-UHFFFAOYSA-N 0 0 289.722 3.240 20 10 CGCDRN COc1cnc(NCc2ccc(O)c(O)c2)c2ccccc12 ZINC001169997156 807736574 /nfs/dbraw/zinc/73/65/74/807736574.db2.gz SZMBRSPRGRTBJK-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN COc1ccc2c(c1)C[C@H](Nc1c(N)cccc1OC)CC2 ZINC001170412163 807836411 /nfs/dbraw/zinc/83/64/11/807836411.db2.gz FJPIMUGGVCPTOF-CQSZACIVSA-N 0 0 298.386 3.255 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC001265241098 808124203 /nfs/dbraw/zinc/12/42/03/808124203.db2.gz LJBWLWZDIQTYQJ-ZVHGMHCTSA-N 0 0 294.354 3.299 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)c1cccc(O)c1)c1ccccc1O ZINC001171722891 808125755 /nfs/dbraw/zinc/12/57/55/808125755.db2.gz FCQPTYPWDFPSQQ-NWDGAFQWSA-N 0 0 285.343 3.079 20 10 CGCDRN C[C@@H](NC(=O)c1cc(O)ccc1Cl)c1ccccc1O ZINC001171723021 808125811 /nfs/dbraw/zinc/12/58/11/808125811.db2.gz JTDLIAYFSLLGOI-SECBINFHSA-N 0 0 291.734 3.242 20 10 CGCDRN COc1ccc(N(C)CCc2ccc3c(c2)CCO3)cc1 ZINC001171745730 808130554 /nfs/dbraw/zinc/13/05/54/808130554.db2.gz BZVJFAKPKCWDDK-UHFFFAOYSA-N 0 0 283.371 3.309 20 10 CGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccnc1 ZINC001173854598 808715053 /nfs/dbraw/zinc/71/50/53/808715053.db2.gz KZJGNAUUUSVXKL-VGPZOTPTSA-N 0 0 290.330 3.349 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(C(F)(F)F)nc1 ZINC001174312402 808949103 /nfs/dbraw/zinc/94/91/03/808949103.db2.gz CJJIUOBBEQRCPN-UHFFFAOYSA-N 0 0 267.254 3.451 20 10 CGCDRN Cn1cc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001174330005 808954929 /nfs/dbraw/zinc/95/49/29/808954929.db2.gz KPWCZAIDYZHBGV-UHFFFAOYSA-N 0 0 277.327 3.395 20 10 CGCDRN Cc1c(Nc2ccccc2C(=O)c2ccncc2)cnn1C ZINC001174393648 808992652 /nfs/dbraw/zinc/99/26/52/808992652.db2.gz NFBSZCNPVRFWPN-UHFFFAOYSA-N 0 0 292.342 3.098 20 10 CGCDRN Cc1cc(Nc2ccccc2C(=O)c2ccncc2)n(C)n1 ZINC001174829981 809174492 /nfs/dbraw/zinc/17/44/92/809174492.db2.gz DSGSSOHRRODEFB-UHFFFAOYSA-N 0 0 292.342 3.098 20 10 CGCDRN COc1c(C)cc(N(CCO)c2ccc(N)cc2)cc1C ZINC001174996772 809232403 /nfs/dbraw/zinc/23/24/03/809232403.db2.gz BSUSYYOPKRNXFE-UHFFFAOYSA-N 0 0 286.375 3.025 20 10 CGCDRN Oc1cccc(Nc2c(F)ccc(F)c2F)c1O ZINC001175028941 809245186 /nfs/dbraw/zinc/24/51/86/809245186.db2.gz HRGSUHYVFZKEDW-UHFFFAOYSA-N 0 0 255.195 3.259 20 10 CGCDRN Oc1cccc(Nc2ccc3ccncc3c2)c1O ZINC001175705474 809515389 /nfs/dbraw/zinc/51/53/89/809515389.db2.gz MKNSDROHSDJVIO-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN Nc1ccc(Nc2cnc(N)cc2C(F)(F)F)cc1 ZINC001175717958 809518755 /nfs/dbraw/zinc/51/87/55/809518755.db2.gz ZKDHWPHLFOAZIA-UHFFFAOYSA-N 0 0 268.242 3.008 20 10 CGCDRN CCCC[C@H](CC)C(=O)NCc1c(O)cccc1F ZINC001178410607 809864684 /nfs/dbraw/zinc/86/46/84/809864684.db2.gz VUIQFDXRLIBHPZ-NSHDSACASA-N 0 0 267.344 3.364 20 10 CGCDRN C[C@@H]1CCCCN(C(=O)/C=C/c2ccc(N(C)C)cc2)C1 ZINC001180122852 809975930 /nfs/dbraw/zinc/97/59/30/809975930.db2.gz HOLLZOFHHWTKGE-SAAWKEMMSA-N 0 0 286.419 3.414 20 10 CGCDRN Cc1nc(C(=O)NCc2cccc(Cl)c2O)sc1C ZINC001180410153 809998526 /nfs/dbraw/zinc/99/85/26/809998526.db2.gz KRHKKGMGFPABMX-UHFFFAOYSA-N 0 0 296.779 3.049 20 10 CGCDRN CC(C)C1CN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001181253353 810044619 /nfs/dbraw/zinc/04/46/19/810044619.db2.gz CXADVJBQQJNQMM-UHFFFAOYSA-N 0 0 268.351 3.119 20 10 CGCDRN Cc1cc(C)c(CNC(=O)NCCc2ccccc2)c(O)c1 ZINC001184971264 810226891 /nfs/dbraw/zinc/22/68/91/810226891.db2.gz XANBSTJHEXCOGE-UHFFFAOYSA-N 0 0 298.386 3.051 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccccc1C(F)F ZINC001188284288 810473958 /nfs/dbraw/zinc/47/39/58/810473958.db2.gz SBJRBCVEYGRWSH-UHFFFAOYSA-N 0 0 277.270 3.260 20 10 CGCDRN CCc1cc(C(=O)NCc2c(C)cc(C)cc2O)cc(C)n1 ZINC001188351147 810478118 /nfs/dbraw/zinc/47/81/18/810478118.db2.gz IANXVIKTAQRKOT-UHFFFAOYSA-N 0 0 298.386 3.205 20 10 CGCDRN CCN(Cc1ccccc1O)C(=O)NCc1cccc(C)c1 ZINC001190991432 810661183 /nfs/dbraw/zinc/66/11/83/810661183.db2.gz STTSTGWGAAMPEW-UHFFFAOYSA-N 0 0 298.386 3.432 20 10 CGCDRN CN(CC=C(Cl)Cl)c1ccc2c(c1)OCO2 ZINC001192285172 810784208 /nfs/dbraw/zinc/78/42/08/810784208.db2.gz ZZWLWIPUPOIRSQ-UHFFFAOYSA-N 0 0 260.120 3.171 20 10 CGCDRN COc1ccc(N(C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(OC)c1 ZINC001192389037 810794239 /nfs/dbraw/zinc/79/42/39/810794239.db2.gz GLWMPMLVXWDSNH-LMKPVCQUSA-N 0 0 297.345 3.431 20 10 CGCDRN CCN(Cc1ccccc1O)C(=O)OC1CCCC1 ZINC001193554152 810906857 /nfs/dbraw/zinc/90/68/57/810906857.db2.gz JOZPCKWSZWJPOU-UHFFFAOYSA-N 0 0 263.337 3.293 20 10 CGCDRN CN(CC1CCCCC1)C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193612653 810920601 /nfs/dbraw/zinc/92/06/01/810920601.db2.gz QYIVXKAKKBVXRE-UHFFFAOYSA-N 0 0 297.782 3.404 20 10 CGCDRN COc1cccc(NC(=O)NCc2cc(C)ccc2O)c1 ZINC001214552946 815422332 /nfs/dbraw/zinc/42/23/32/815422332.db2.gz KSDVMPADEZXLRF-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN CC[C@@H](C)COC(=O)NCc1c(C)cc(C)cc1O ZINC001194830768 811149337 /nfs/dbraw/zinc/14/93/37/811149337.db2.gz NWNAHXFYLZNURQ-SNVBAGLBSA-N 0 0 265.353 3.281 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2ccc(F)cc2)nc1 ZINC001196950966 811385478 /nfs/dbraw/zinc/38/54/78/811385478.db2.gz IUCVRDOGQADCIK-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CC(C)C(=O)Nc1ccc(Nc2cccc(O)c2O)cc1 ZINC001198082684 811474691 /nfs/dbraw/zinc/47/46/91/811474691.db2.gz AYJFVAHNLLXGKT-UHFFFAOYSA-N 0 0 286.331 3.436 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2ccccn2)cc1 ZINC001199491626 811577705 /nfs/dbraw/zinc/57/77/05/811577705.db2.gz UEGIISXJXSQDOP-AATRIKPKSA-N 0 0 253.349 3.273 20 10 CGCDRN CCN(Cc1ccccc1O)C(=S)NC1CCCCC1 ZINC001200646118 811727159 /nfs/dbraw/zinc/72/71/59/811727159.db2.gz DCOUXXLRIJLHRL-UHFFFAOYSA-N 0 0 292.448 3.421 20 10 CGCDRN CC(C)Nc1ccc(Nc2ccc(CC(N)=O)cc2)cc1 ZINC001201496947 811866914 /nfs/dbraw/zinc/86/69/14/811866914.db2.gz BMAUATBFENIVKT-UHFFFAOYSA-N 0 0 283.375 3.278 20 10 CGCDRN CC(=O)c1ccccc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC001215304056 815505227 /nfs/dbraw/zinc/50/52/27/815505227.db2.gz CASMZHQCTYXPHW-UHFFFAOYSA-N 0 0 296.282 3.017 20 10 CGCDRN Oc1ccc(-c2nc(-c3cc(F)ccc3F)no2)cc1O ZINC001215304237 815505273 /nfs/dbraw/zinc/50/52/73/815505273.db2.gz HSLNZTUGTRBZLN-UHFFFAOYSA-N 0 0 290.225 3.093 20 10 CGCDRN Cc1cccc(CNC(=O)Nc2cc(F)ccc2F)c1O ZINC001202664643 812149505 /nfs/dbraw/zinc/14/95/05/812149505.db2.gz ANOQVGJVLWBTSB-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN Cc1ccc([C@]2(C)C[N@H+](Cc3ccccc3O)CCO2)cc1 ZINC001203556962 812390084 /nfs/dbraw/zinc/39/00/84/812390084.db2.gz XRVKFTPLNQAPIW-IBGZPJMESA-N 0 0 297.398 3.448 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001203556633 812391290 /nfs/dbraw/zinc/39/12/90/812391290.db2.gz RYMJDGIKKIMKJS-QGZVFWFLSA-N 0 0 283.371 3.183 20 10 CGCDRN CC[C@H](C)[C@H](CN(C)c1ccc(OC)c(F)c1)OC ZINC001205360471 812971841 /nfs/dbraw/zinc/97/18/41/812971841.db2.gz ZUXSEIUWHOZUPE-NHYWBVRUSA-N 0 0 269.360 3.332 20 10 CGCDRN Cc1oncc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001242600690 823055279 /nfs/dbraw/zinc/05/52/79/823055279.db2.gz FTNXVVOLRAPUIS-UHFFFAOYSA-N 0 0 278.315 3.134 20 10 CGCDRN C[C@H](NCc1ccc(Cl)cc1O)C(F)(F)F ZINC001206727494 813409464 /nfs/dbraw/zinc/40/94/64/813409464.db2.gz IYFSDTHNPSCYLQ-LURJTMIESA-N 0 0 253.651 3.086 20 10 CGCDRN Cc1cc(C[NH2+]Cc2c([O-])cccc2F)cs1 ZINC001207623514 813618964 /nfs/dbraw/zinc/61/89/64/813618964.db2.gz UPRHHTJMMPQVHL-UHFFFAOYSA-N 0 0 251.326 3.191 20 10 CGCDRN Nc1ccc(F)c(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209765881 814133387 /nfs/dbraw/zinc/13/33/87/814133387.db2.gz BXRRLZYAUAQSMJ-UHFFFAOYSA-N 0 0 277.274 3.095 20 10 CGCDRN Cc1ccc(Nc2ccc3c(c2)OCCN3)cc1O ZINC001209768379 814134528 /nfs/dbraw/zinc/13/45/28/814134528.db2.gz ZCNCDHPJJYKYAB-UHFFFAOYSA-N 0 0 256.305 3.249 20 10 CGCDRN Cn1cc2c(cccc2Nc2ccc3c(c2)OCCN3)n1 ZINC001209766719 814134534 /nfs/dbraw/zinc/13/45/34/814134534.db2.gz UPRYCPQDUXFENG-UHFFFAOYSA-N 0 0 280.331 3.121 20 10 CGCDRN O=c1[nH]ccc2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001209768394 814136805 /nfs/dbraw/zinc/13/68/05/814136805.db2.gz ZUKLQNDVIZFBPR-UHFFFAOYSA-N 0 0 293.326 3.076 20 10 CGCDRN Cc1c(O)cccc1Nc1ccc2c(c1)OCCN2 ZINC001209788218 814139170 /nfs/dbraw/zinc/13/91/70/814139170.db2.gz JEPBWNQKTRDPHB-UHFFFAOYSA-N 0 0 256.305 3.249 20 10 CGCDRN Oc1c(Nc2ccc3c(c2)OCCN3)ccc(F)c1F ZINC001209788703 814139884 /nfs/dbraw/zinc/13/98/84/814139884.db2.gz GGJQMMPJFPVZIQ-UHFFFAOYSA-N 0 0 278.258 3.218 20 10 CGCDRN c1noc2c1cccc2Nc1ccc2c(c1)OCCN2 ZINC001209789900 814141220 /nfs/dbraw/zinc/14/12/20/814141220.db2.gz VIERDSVBDBKPCT-UHFFFAOYSA-N 0 0 267.288 3.376 20 10 CGCDRN Cc1c(F)cc(Nc2cccc(O)c2O)cc1F ZINC001210109205 814294360 /nfs/dbraw/zinc/29/43/60/814294360.db2.gz PONXRFOFMPWQIP-UHFFFAOYSA-N 0 0 251.232 3.428 20 10 CGCDRN CN(c1ccc(N)cc1)c1cccnc1OC(F)F ZINC001210628811 814563433 /nfs/dbraw/zinc/56/34/33/814563433.db2.gz JNSXXKGQFXWPQL-UHFFFAOYSA-N 0 0 265.263 3.033 20 10 CGCDRN Oc1cccc(Nc2cccc(OC3CC3)c2)c1O ZINC001210863280 814656542 /nfs/dbraw/zinc/65/65/42/814656542.db2.gz QQKBQMZCXSROIH-UHFFFAOYSA-N 0 0 257.289 3.383 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001227066838 817549575 /nfs/dbraw/zinc/54/95/75/817549575.db2.gz DLILZMWGBVKQDJ-GHMZBOCLSA-N 0 0 296.798 3.281 20 10 CGCDRN CCCC[N@H+](CCC)Cc1ccc(C(=O)[O-])cc1O ZINC001231451338 818102184 /nfs/dbraw/zinc/10/21/84/818102184.db2.gz LTIPEHMOWJACTM-UHFFFAOYSA-N 0 0 265.353 3.103 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cc1Cl ZINC001231866917 818192542 /nfs/dbraw/zinc/19/25/42/818192542.db2.gz FEWCYWBQRAQYKQ-MRXNPFEDSA-N 0 0 295.810 3.499 20 10 CGCDRN COC[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879989 818199168 /nfs/dbraw/zinc/19/91/68/818199168.db2.gz ZHROZOROPIIGQT-OAHLLOKOSA-N 0 0 271.360 3.156 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001231909793 818209217 /nfs/dbraw/zinc/20/92/17/818209217.db2.gz IZOBADUOQSICKT-RISCZKNCSA-N 0 0 281.783 3.047 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001231911733 818210306 /nfs/dbraw/zinc/21/03/06/818210306.db2.gz KWEYQFCXRDSPNW-AWEZNQCLSA-N 0 0 289.766 3.173 20 10 CGCDRN O=C1CCN(Cc2cccc(Cl)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC001231909839 818210433 /nfs/dbraw/zinc/21/04/33/818210433.db2.gz RHQMSTNVXUFKFF-TZMCWYRMSA-N 0 0 293.794 3.379 20 10 CGCDRN CCN(Cc1cc(Cl)c(O)cc1O)CC(F)(F)F ZINC001232262815 818298048 /nfs/dbraw/zinc/29/80/48/818298048.db2.gz RIJVKKLUSXTQNQ-UHFFFAOYSA-N 0 0 283.677 3.135 20 10 CGCDRN COc1cc(O)c(C[NH+]2CCC(C)CC2)cc1Cl ZINC001232266645 818298264 /nfs/dbraw/zinc/29/82/64/818298264.db2.gz XCHBHXNDEXVYPE-UHFFFAOYSA-N 0 0 269.772 3.286 20 10 CGCDRN CCCOC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077439 818519729 /nfs/dbraw/zinc/51/97/29/818519729.db2.gz OMHIXJDJFDVPPZ-UHFFFAOYSA-N 0 0 285.334 3.061 20 10 CGCDRN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233334939 818584399 /nfs/dbraw/zinc/58/43/99/818584399.db2.gz AKABYEVZBYIVLJ-JTQLQIEISA-N 0 0 255.308 3.435 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001233332140 818584914 /nfs/dbraw/zinc/58/49/14/818584914.db2.gz ABSHLSXYDDCMKL-UHFFFAOYSA-N 0 0 295.251 3.445 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001233334309 818586622 /nfs/dbraw/zinc/58/66/22/818586622.db2.gz BKJYFMIHWDBDHC-ZETCQYMHSA-N 0 0 281.224 3.055 20 10 CGCDRN C[C@@H]1C[C@H](F)CN1Cc1cccc(C(F)(F)F)c1O ZINC001233415912 818614701 /nfs/dbraw/zinc/61/47/01/818614701.db2.gz NYWGHHSRNHZMJY-SCZZXKLOSA-N 0 0 277.261 3.343 20 10 CGCDRN CN(Cc1ccon1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454717 818623715 /nfs/dbraw/zinc/62/37/15/818623715.db2.gz HWIYYUIQQJTZAB-UHFFFAOYSA-N 0 0 286.253 3.031 20 10 CGCDRN CCC[C@@H](CC(=O)OC)Oc1ccc2c(c1)CCN2CC ZINC001233602131 818656375 /nfs/dbraw/zinc/65/63/75/818656375.db2.gz OPMZAOOKVOXQNE-AWEZNQCLSA-N 0 0 291.391 3.180 20 10 CGCDRN Cc1ccccc1[C@H](C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233950275 818737496 /nfs/dbraw/zinc/73/74/96/818737496.db2.gz TYZDDNUSLUWELT-NSHDSACASA-N 0 0 296.326 3.489 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1OC(C(C)C)C(C)C ZINC001234473409 818862750 /nfs/dbraw/zinc/86/27/50/818862750.db2.gz GJFCKUIOTIZCDL-UHFFFAOYSA-N 0 0 266.337 3.360 20 10 CGCDRN CC[C@@H](C)[C@@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234477554 818864629 /nfs/dbraw/zinc/86/46/29/818864629.db2.gz UFRPGELBJUQGAO-PSASIEDQSA-N 0 0 252.310 3.114 20 10 CGCDRN COc1ccc2ccc(O)c(CN3C[C@@H](F)[C@@H](F)C3)c2c1 ZINC001234525390 818872993 /nfs/dbraw/zinc/87/29/93/818872993.db2.gz FEYZSDLJPZODRS-GASCZTMLSA-N 0 0 293.313 3.046 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235181086 819025798 /nfs/dbraw/zinc/02/57/98/819025798.db2.gz XUBUVHXKSMLOTJ-INIZCTEOSA-N 0 0 294.826 3.154 20 10 CGCDRN CC(C)(C)c1ccc(CN2CCC(=O)C(F)(F)C2)c(O)c1 ZINC001235677163 819137495 /nfs/dbraw/zinc/13/74/95/819137495.db2.gz CBAUMZQMWADJFE-UHFFFAOYSA-N 0 0 297.345 3.100 20 10 CGCDRN CN(Cc1nc2cc(F)ccc2[nH]1)Cc1ccccc1O ZINC001235695808 819145963 /nfs/dbraw/zinc/14/59/63/819145963.db2.gz RHAIQAKLJDGUOU-UHFFFAOYSA-N 0 0 285.322 3.040 20 10 CGCDRN CCCC[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[NH2+]1 ZINC001236137200 819338871 /nfs/dbraw/zinc/33/88/71/819338871.db2.gz KZIGUYWSVGLNHI-ZDUSSCGKSA-N 0 0 282.815 3.010 20 10 CGCDRN CCc1ccc(CN2CCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001236782910 819593913 /nfs/dbraw/zinc/59/39/13/819593913.db2.gz GTOLOVYUDAZSRR-CYBMUJFWSA-N 0 0 273.298 3.134 20 10 CGCDRN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1CCOCC1 ZINC001236793159 819597114 /nfs/dbraw/zinc/59/71/14/819597114.db2.gz IMBVHKVZCPVTJZ-UHFFFAOYSA-N 0 0 290.190 3.310 20 10 CGCDRN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793410 819597293 /nfs/dbraw/zinc/59/72/93/819597293.db2.gz KOUVOPKJIODOFF-PSASIEDQSA-N 0 0 290.190 3.044 20 10 CGCDRN COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(Cl)c1 ZINC001236801892 819600013 /nfs/dbraw/zinc/60/00/13/819600013.db2.gz DRLUTEKIYNZKIZ-TXEJJXNPSA-N 0 0 281.783 3.142 20 10 CGCDRN COc1ccc(C[N@@H+]2CCC[C@H](C)C2)c([O-])c1Cl ZINC001236806674 819601890 /nfs/dbraw/zinc/60/18/90/819601890.db2.gz YXLHXEIHLMMSJK-JTQLQIEISA-N 0 0 269.772 3.286 20 10 CGCDRN COc1cc(C)c(CN2Cc3ccc(F)cc3C2)c(O)c1 ZINC001236810378 819603771 /nfs/dbraw/zinc/60/37/71/819603771.db2.gz FCABYRPQJFSVLH-UHFFFAOYSA-N 0 0 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CCC1(CC)[C@H]([NH2+]Cc2c([O-])cccc2F)C[C@@H]1OC ZINC001474716230 937876714 /nfs/dbraw/zinc/87/67/14/937876714.db2.gz FYZWBKIDTXVCMO-CABCVRRESA-N 0 0 281.371 3.215 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001474717035 937876831 /nfs/dbraw/zinc/87/68/31/937876831.db2.gz WMWDKMHQLNILEK-UHFFFAOYSA-N 0 0 270.307 3.302 20 10 CGCDRN CC(C)CCOC(=O)NCc1cccc(Cl)c1O ZINC001475774614 937885491 /nfs/dbraw/zinc/88/54/91/937885491.db2.gz KTEWUIUBWYFGDM-UHFFFAOYSA-N 0 0 271.744 3.318 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccnnc2)cc1 ZINC001525013315 938047224 /nfs/dbraw/zinc/04/72/24/938047224.db2.gz PNBPZJDXFAGLEC-UHFFFAOYSA-N 0 0 292.342 3.136 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2c(o1)CCCC2 ZINC001528023262 938064988 /nfs/dbraw/zinc/06/49/88/938064988.db2.gz IQRPDBNDZLUPSS-UHFFFAOYSA-N 0 0 285.343 3.136 20 10 CGCDRN CSc1ccccc1N(C)C(=O)/C=C(/C)c1cnccn1 ZINC001533184623 938089502 /nfs/dbraw/zinc/08/95/02/938089502.db2.gz KMUDXCUKRMBJIO-BENRWUELSA-N 0 0 299.399 3.265 20 10 CGCDRN O=C(Nc1ccccc1OC(F)F)C1=CC(=O)CS1 ZINC001556969589 938206926 /nfs/dbraw/zinc/20/69/26/938206926.db2.gz XVXSHUZFJIQGQY-UHFFFAOYSA-N 0 0 285.271 3.307 20 10 CGCDRN O=C(c1cc2cc(F)ccc2o1)N1Cc2cccc(O)c2C1 ZINC001558036200 938213311 /nfs/dbraw/zinc/21/33/11/938213311.db2.gz WQXFZAHQSBFGOF-UHFFFAOYSA-N 0 0 297.285 3.434 20 10 CGCDRN Cc1ccc(F)cc1C(=O)NCc1cccc(Cl)c1O ZINC001558757011 938217625 /nfs/dbraw/zinc/21/76/25/938217625.db2.gz LCJRKKXLQBOXRR-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1cnc(C)c(NCc2ccc3c(c2)CCCN3C)n1 ZINC001559083604 938219961 /nfs/dbraw/zinc/21/99/61/938219961.db2.gz NOXGYJQIKCYZRK-UHFFFAOYSA-N 0 0 282.391 3.088 20 10 CGCDRN Oc1c(F)cc(Cl)cc1CNc1cnn(CC2CC2)c1 ZINC001560398791 938256773 /nfs/dbraw/zinc/25/67/73/938256773.db2.gz LJISABHYYFTGQZ-UHFFFAOYSA-N 0 0 295.745 3.403 20 10 CGCDRN C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC001561015816 938289630 /nfs/dbraw/zinc/28/96/30/938289630.db2.gz HZAFWWVUSRQLCL-UHIISALHSA-N 0 0 251.345 3.446 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001563482806 938303314 /nfs/dbraw/zinc/30/33/14/938303314.db2.gz NQPHSLNFEALASQ-MFKMUULPSA-N 0 0 296.798 3.424 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)ccc1O ZINC001563543105 938304036 /nfs/dbraw/zinc/30/40/36/938304036.db2.gz PHZLXPNWGFGWHL-ZFWWWQNUSA-N 0 0 290.407 3.469 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001603107173 972183806 /nfs/dbraw/zinc/18/38/06/972183806.db2.gz WIVJLKGJCRPMAU-WFASDCNBSA-N 0 0 291.391 3.058 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2)c1 ZINC001594373236 958560756 /nfs/dbraw/zinc/56/07/56/958560756.db2.gz KEJCXYUZPZKNOI-GFCCVEGCSA-N 0 0 285.343 3.250 20 10 CGCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001565580528 960792689 /nfs/dbraw/zinc/79/26/89/960792689.db2.gz ZQVBFTSATCYBQG-ZIAGYGMSSA-N 0 0 291.391 3.115 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001566359922 960926812 /nfs/dbraw/zinc/92/68/12/960926812.db2.gz RVWSCRFXSFGEOP-CAPXZKIUSA-N 0 0 299.414 3.179 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H](C(F)F)C2CCCCC2)cc1 ZINC001580443114 962723173 /nfs/dbraw/zinc/72/31/73/962723173.db2.gz RJGFXBBLFWQQKM-HNNXBMFYSA-N 0 0 296.361 3.142 20 10 CGCDRN Nc1ccc(CC(=O)N(c2ccccc2)C2CC2)cc1 ZINC001580442858 962726627 /nfs/dbraw/zinc/72/66/27/962726627.db2.gz IDFKCMGPMKMKPK-UHFFFAOYSA-N 0 0 266.344 3.007 20 10 CGCDRN Cc1cc(Cl)nc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001587447497 963194534 /nfs/dbraw/zinc/19/45/34/963194534.db2.gz UHJRLWHFSCVJRQ-SNVBAGLBSA-N 0 0 290.750 3.240 20 10 CGCDRN CC(C)c1ccc(O)c(C[NH2+]Cc2cc(C(=O)[O-])co2)c1 ZINC001591974153 976584952 /nfs/dbraw/zinc/58/49/52/976584952.db2.gz OUKJYKOTTWOJCV-UHFFFAOYSA-N 0 0 289.331 3.097 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1ccc(N(C)C)c(C)c1)C(=O)[O-] ZINC001595079761 979365057 /nfs/dbraw/zinc/36/50/57/979365057.db2.gz ZJDYHJUUKAIHDR-UHFFFAOYSA-N 0 0 292.423 3.042 20 10 CGCDRN C[C@H]1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC[C@H]1CC(=O)[O-] ZINC001594186938 998722578 /nfs/dbraw/zinc/72/25/78/998722578.db2.gz ZBOGZEJHHKDUMX-GBIKHYSHSA-N 0 0 297.782 3.025 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccccc1 ZINC000073751641 345450171 /nfs/dbraw/zinc/45/01/71/345450171.db2.gz NRZJABCSPCFFOZ-ZHACJKMWSA-N 0 0 252.317 3.148 20 10 CGCDRN COc1cccc(CNc2nnc(C(C)(C)C)s2)c1O ZINC000091479357 345815920 /nfs/dbraw/zinc/81/59/20/345815920.db2.gz VVNVYGUGNANWGK-UHFFFAOYSA-N 0 0 293.392 3.162 20 10 CGCDRN Oc1ccc(-c2csc([C@@H]3CCCO3)n2)cc1O ZINC000136491942 346090851 /nfs/dbraw/zinc/09/08/51/346090851.db2.gz HHECIVNRPRYSFZ-LBPRGKRZSA-N 0 0 263.318 3.073 20 10 CGCDRN Nc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000019835111 283664811 /nfs/dbraw/zinc/66/48/11/283664811.db2.gz IYDPWOVZKFLWHM-UHFFFAOYSA-N 0 0 272.373 3.461 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000276981527 299389981 /nfs/dbraw/zinc/38/99/81/299389981.db2.gz VZNLSFJSAQNQHH-WDEREUQCSA-N 0 0 297.345 3.423 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccccc1F ZINC000493490128 244174220 /nfs/dbraw/zinc/17/42/20/244174220.db2.gz HVAHDOFJIXMCSS-BQYQJAHWSA-N 0 0 270.307 3.205 20 10 CGCDRN CCN(C(=O)/C=C\c1cncs1)c1cccc(F)c1 ZINC000493323971 244141084 /nfs/dbraw/zinc/14/10/84/244141084.db2.gz PPGMIONSOXNETR-SREVYHEPSA-N 0 0 276.336 3.349 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccsc2)cc1 ZINC000078930499 369955754 /nfs/dbraw/zinc/95/57/54/369955754.db2.gz MPVATEZTLKJLGP-UHFFFAOYSA-N 0 0 274.389 3.086 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)[C@H](C)C1 ZINC000113622960 370478168 /nfs/dbraw/zinc/47/81/68/370478168.db2.gz MFJXPGKGCGPNIZ-UMVBOHGHSA-N 0 0 290.407 3.358 20 10 CGCDRN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1[O-] ZINC000134789657 371365565 /nfs/dbraw/zinc/36/55/65/371365565.db2.gz PYKIKZBFMMPSMX-NZBMOFRJSA-N 0 0 291.366 3.140 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187920712 299425462 /nfs/dbraw/zinc/42/54/62/299425462.db2.gz ITIFEAZBRSTGBX-CHIMOYNISA-N 0 0 297.345 3.279 20 10 CGCDRN CC[C@H]([NH2+]CCCn1ccnc1)c1cccc(Cl)c1[O-] ZINC000287084181 371601264 /nfs/dbraw/zinc/60/12/64/371601264.db2.gz VQVIQVMKUUUJBP-AWEZNQCLSA-N 0 0 293.798 3.373 20 10 CGCDRN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287660909 371690798 /nfs/dbraw/zinc/69/07/98/371690798.db2.gz LSVGFRCSUMLVAS-SWHYSGLUSA-N 0 0 285.815 3.493 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[C@H]1O ZINC000289910630 371852016 /nfs/dbraw/zinc/85/20/16/371852016.db2.gz XEDPFCYOVZXIJG-VXGBXAGGSA-N 0 0 290.190 3.044 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1O ZINC000155990641 371957001 /nfs/dbraw/zinc/95/70/01/371957001.db2.gz RYNOKULOAIBPEQ-XNISGKROSA-N 0 0 275.392 3.246 20 10 CGCDRN Cc1cnccc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293765238 372474700 /nfs/dbraw/zinc/47/47/00/372474700.db2.gz ZKGCOXIOGXTIAD-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN CCOCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293746623 372468569 /nfs/dbraw/zinc/46/85/69/372468569.db2.gz WJKBPHWFYNOHCZ-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN COCC1(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000293851960 372501350 /nfs/dbraw/zinc/50/13/50/372501350.db2.gz YLICJRJBBRVGCG-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN CSc1ccccc1C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000172355562 372948309 /nfs/dbraw/zinc/94/83/09/372948309.db2.gz WKLGICJLBSAZBQ-MNOVXSKESA-N 0 0 281.446 3.375 20 10 CGCDRN CCOc1ccc(N[C@H]2CCc3cccc(O)c32)cc1CO ZINC000296599372 373189355 /nfs/dbraw/zinc/18/93/55/373189355.db2.gz XLVCUGNMLXLFFZ-HNNXBMFYSA-N 0 0 299.370 3.383 20 10 CGCDRN C[C@@H]1C[C@H](NCc2ccc3c(c2)CCCN3C)c2nccn21 ZINC000297634816 373277590 /nfs/dbraw/zinc/27/75/90/373277590.db2.gz JMYPWZYLUMLKJK-CJNGLKHVSA-N 0 0 296.418 3.061 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1 ZINC000298378228 373308541 /nfs/dbraw/zinc/30/85/41/373308541.db2.gz RJZUNUKWAVUYHL-UHFFFAOYSA-N 0 0 297.402 3.198 20 10 CGCDRN CCC(C)(C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176235737 373568172 /nfs/dbraw/zinc/56/81/72/373568172.db2.gz SRDRIZSVRRKYPL-UHFFFAOYSA-N 0 0 289.423 3.275 20 10 CGCDRN Cc1cc(C)nc(NCc2ccc(N(C)C)cc2C)n1 ZINC000301273966 373723135 /nfs/dbraw/zinc/72/31/35/373723135.db2.gz IHXNKHJWLLAAAM-UHFFFAOYSA-N 0 0 270.380 3.080 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ccc2nccnc2n1 ZINC000301738832 373801277 /nfs/dbraw/zinc/80/12/77/373801277.db2.gz CTEYDEOUFVVFKZ-UHFFFAOYSA-N 0 0 294.358 3.147 20 10 CGCDRN Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000302435311 373867616 /nfs/dbraw/zinc/86/76/16/373867616.db2.gz QLDICKJFSKCZLY-GFCCVEGCSA-N 0 0 270.380 3.333 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c(O)c1O ZINC000181897593 374187694 /nfs/dbraw/zinc/18/76/94/374187694.db2.gz PBJBMEDDIVIEFJ-CMPLNLGQSA-N 0 0 277.364 3.057 20 10 CGCDRN CCC[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182597481 374295253 /nfs/dbraw/zinc/29/52/53/374295253.db2.gz CRMISBJUTRNQKQ-GFCCVEGCSA-N 0 0 277.364 3.059 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187761024 375089472 /nfs/dbraw/zinc/08/94/72/375089472.db2.gz WUHNHZJELWNIHR-NXEZZACHSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000191182074 375590655 /nfs/dbraw/zinc/59/06/55/375590655.db2.gz NCMUZADMLSWBJC-UWVGGRQHSA-N 0 0 278.302 3.477 20 10 CGCDRN CO[C@@H](C[N@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000528419834 375901815 /nfs/dbraw/zinc/90/18/15/375901815.db2.gz QQFOXFZAUVOUER-KRWDZBQOSA-N 0 0 289.350 3.351 20 10 CGCDRN C[C@H](CN(C)C(=O)c1cccc(O)c1O)C1CCCCC1 ZINC000530040008 375937770 /nfs/dbraw/zinc/93/77/70/375937770.db2.gz SHSKVGYBXSEPKV-GFCCVEGCSA-N 0 0 291.391 3.386 20 10 CGCDRN COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(N)cc1 ZINC000237252391 376737357 /nfs/dbraw/zinc/73/73/57/376737357.db2.gz OPSGMYYUOZQVGW-ZDUSSCGKSA-N 0 0 298.386 3.485 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248907888 377427969 /nfs/dbraw/zinc/42/79/69/377427969.db2.gz XFEYAXQVSREDKR-HZMBPMFUSA-N 0 0 299.773 3.186 20 10 CGCDRN COc1ccc(N(CCC2OCCCO2)C(C)C)cc1F ZINC000267962944 378047347 /nfs/dbraw/zinc/04/73/47/378047347.db2.gz SZIIYGFDJRPJQE-UHFFFAOYSA-N 0 0 297.370 3.202 20 10 CGCDRN Cc1n[nH]c(C)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271038553 378435151 /nfs/dbraw/zinc/43/51/51/378435151.db2.gz GXEUPZZOZDUNFI-UHFFFAOYSA-N 0 0 298.434 3.257 20 10 CGCDRN COc1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000271458855 378493740 /nfs/dbraw/zinc/49/37/40/378493740.db2.gz WRFKBPHRNFWNNN-CQSZACIVSA-N 0 0 283.371 3.390 20 10 CGCDRN C[C@H]1C[C@@H](CC[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000273180022 378737954 /nfs/dbraw/zinc/73/79/54/378737954.db2.gz ODGIRGWZHGFMAK-RYUDHWBXSA-N 0 0 283.799 3.340 20 10 CGCDRN CC(C)(C)c1cnc(SCC(=O)[C@@H]2CCOC2)s1 ZINC000273888656 378760121 /nfs/dbraw/zinc/76/01/21/378760121.db2.gz MPJHZBCVIKWIMQ-SECBINFHSA-N 0 0 285.434 3.138 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000279003398 379408468 /nfs/dbraw/zinc/40/84/68/379408468.db2.gz GBSVWZJCTNQEAV-QMMMGPOBSA-N 0 0 273.348 3.217 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375300734 379490066 /nfs/dbraw/zinc/49/00/66/379490066.db2.gz CJCMBSHIEFUAQD-OAHLLOKOSA-N 0 0 299.773 3.187 20 10 CGCDRN Oc1ccccc1CN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000376163425 379524710 /nfs/dbraw/zinc/52/47/10/379524710.db2.gz BIKPHHNYPRONRW-AWEZNQCLSA-N 0 0 299.374 3.380 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccccn1 ZINC000282471948 379926238 /nfs/dbraw/zinc/92/62/38/379926238.db2.gz KTCVQMUJXIPRNB-UHFFFAOYSA-N 0 0 284.359 3.230 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000286215112 380177375 /nfs/dbraw/zinc/17/73/75/380177375.db2.gz SETRQCVQLRCDLV-ABAIWWIYSA-N 0 0 281.371 3.387 20 10 CGCDRN COC(=O)c1ccc([C@H](C)Sc2nccs2)o1 ZINC000108865635 392348409 /nfs/dbraw/zinc/34/84/09/392348409.db2.gz XCNAZSJJPZWIIR-ZETCQYMHSA-N 0 0 269.347 3.376 20 10 CGCDRN CCc1nsc(NCc2ccc(N(C)C)cc2C)n1 ZINC000301501858 392593545 /nfs/dbraw/zinc/59/35/45/392593545.db2.gz GOWDKCYKNYEINA-UHFFFAOYSA-N 0 0 276.409 3.087 20 10 CGCDRN CCCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173204027 392624525 /nfs/dbraw/zinc/62/45/25/392624525.db2.gz RRLRDAGSQSETDP-UHFFFAOYSA-N 0 0 276.380 3.058 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCCC1 ZINC000173184670 392624728 /nfs/dbraw/zinc/62/47/28/392624728.db2.gz SAILFNWSTIOQSA-UHFFFAOYSA-N 0 0 288.391 3.058 20 10 CGCDRN CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000179482817 392702703 /nfs/dbraw/zinc/70/27/03/392702703.db2.gz WVFAZRJKNNHKBS-JQWIXIFHSA-N 0 0 291.391 3.445 20 10 CGCDRN CCNC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000195106531 392956131 /nfs/dbraw/zinc/95/61/31/392956131.db2.gz PXSDWWZIZYAYHY-UHFFFAOYSA-N 0 0 298.386 3.371 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(C(=O)N(C)C)cc2)cc1C ZINC000195064925 392954772 /nfs/dbraw/zinc/95/47/72/392954772.db2.gz UJGSJBDDOWMHTN-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN CCCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349080741 393137860 /nfs/dbraw/zinc/13/78/60/393137860.db2.gz MAKABCJWYPATJR-UHFFFAOYSA-N 0 0 273.380 3.086 20 10 CGCDRN CCc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000022214497 171375104 /nfs/dbraw/zinc/37/51/04/171375104.db2.gz HESSTJLSOIWRAD-UHFFFAOYSA-N 0 0 254.333 3.012 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccnc1C ZINC000348657959 226505550 /nfs/dbraw/zinc/50/55/50/226505550.db2.gz DKOIUJPURMGMRH-UHFFFAOYSA-N 0 0 293.370 3.120 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccco1 ZINC000348662033 226505602 /nfs/dbraw/zinc/50/56/02/226505602.db2.gz BDVQCOYMHCUXRF-UHFFFAOYSA-N 0 0 268.316 3.010 20 10 CGCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000130850236 260399395 /nfs/dbraw/zinc/39/93/95/260399395.db2.gz FODXXGQQFWIHAT-HZPDHXFCSA-N 0 0 274.408 3.142 20 10 CGCDRN CCCC(CCC)C(=O)NCc1cccc(OC)c1O ZINC000151718261 261054223 /nfs/dbraw/zinc/05/42/23/261054223.db2.gz NPLCLPSHEGFYIZ-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN CC(C)[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173196933 261158557 /nfs/dbraw/zinc/15/85/57/261158557.db2.gz AHPBWULCTPLBHF-CYBMUJFWSA-N 0 0 290.407 3.160 20 10 CGCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)NC1CC1 ZINC000164160614 261343155 /nfs/dbraw/zinc/34/31/55/261343155.db2.gz PBRKJEASCKWWRP-QMMMGPOBSA-N 0 0 284.450 3.200 20 10 CGCDRN Cc1cc(N(C)C)ccc1NCc1ccccc1O ZINC000057667934 262349270 /nfs/dbraw/zinc/34/92/70/262349270.db2.gz XHHUYIABQRNFCJ-UHFFFAOYSA-N 0 0 256.349 3.379 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287797700 288047157 /nfs/dbraw/zinc/04/71/57/288047157.db2.gz TXVXDLVPYLQTTJ-UFBFGSQYSA-N 0 0 292.206 3.368 20 10 CGCDRN CC[C@@H]([NH2+]CCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287088013 280187438 /nfs/dbraw/zinc/18/74/38/280187438.db2.gz VXTSZLCXAKLSKY-LLVKDONJSA-N 0 0 278.179 3.122 20 10 CGCDRN CC[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236961164 328003933 /nfs/dbraw/zinc/00/39/33/328003933.db2.gz BICMTHCOMQFTQA-HNNXBMFYSA-N 0 0 282.387 3.121 20 10 CGCDRN CC1(C)CC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287494350 328251414 /nfs/dbraw/zinc/25/14/14/328251414.db2.gz RFLYJOBRYYPCBQ-MRXNPFEDSA-N 0 0 299.418 3.051 20 10 CGCDRN CCCOc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)c(O)c1 ZINC000291323679 328263152 /nfs/dbraw/zinc/26/31/52/328263152.db2.gz TUXLTVPDHOGSQG-HNNXBMFYSA-N 0 0 293.407 3.180 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1CCCc2ccccc21 ZINC000133759415 327199407 /nfs/dbraw/zinc/19/94/07/327199407.db2.gz AJOKDWHJLAZJSN-INIZCTEOSA-N 0 0 281.355 3.129 20 10 CGCDRN COc1ccc(C)cc1[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000261637768 327410978 /nfs/dbraw/zinc/41/09/78/327410978.db2.gz IIZLBSATOXJULJ-CYBMUJFWSA-N 0 0 298.386 3.006 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000368651629 328939605 /nfs/dbraw/zinc/93/96/05/328939605.db2.gz HUBGKBFDXGVISS-GOPGUHFVSA-N 0 0 293.382 3.387 20 10 CGCDRN CC[C@H](C)NC(=O)COc1ccc2c(c1)c(C)c(C)n2C ZINC000421201630 329805549 /nfs/dbraw/zinc/80/55/49/329805549.db2.gz OWMCESCOKKBNOM-NSHDSACASA-N 0 0 288.391 3.089 20 10 CGCDRN CCC1(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000458735304 331258423 /nfs/dbraw/zinc/25/84/23/331258423.db2.gz IRYZBVRUPIFPEZ-UHFFFAOYSA-N 0 0 285.391 3.229 20 10 CGCDRN CCC[C@H]1C[C@H]1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471999727 331525517 /nfs/dbraw/zinc/52/55/17/331525517.db2.gz BOLCMWIOQSVOKB-DZGCQCFKSA-N 0 0 299.418 3.475 20 10 CGCDRN C[C@@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000491151409 332157245 /nfs/dbraw/zinc/15/72/45/332157245.db2.gz LUVZHMPTJMBZCW-KTRBRXNASA-N 0 0 279.343 3.030 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1 ZINC000491732048 332313509 /nfs/dbraw/zinc/31/35/09/332313509.db2.gz GOQKIXRARNQAOB-NNNHXZLVSA-N 0 0 298.317 3.048 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccc(Cl)cn1 ZINC000492418075 332396577 /nfs/dbraw/zinc/39/65/77/332396577.db2.gz PZJCXOFPTRKLPP-ZZXKWVIFSA-N 0 0 287.750 3.115 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000130100094 333814040 /nfs/dbraw/zinc/81/40/40/333814040.db2.gz BLNXIMNWQAQSTR-XEHSLEBBSA-N 0 0 264.328 3.245 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2noc(C3CC3)n2)cc1 ZINC000191586642 519780436 /nfs/dbraw/zinc/78/04/36/519780436.db2.gz PRMIXVSLSBUFPB-UHFFFAOYSA-N 0 0 287.363 3.371 20 10 CGCDRN CCN(C(=O)Cc1ccc(N)cc1)c1cc(C)cc(C)c1 ZINC000237088475 519931570 /nfs/dbraw/zinc/93/15/70/519931570.db2.gz LJWOIDYUAHSUHC-UHFFFAOYSA-N 0 0 282.387 3.481 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)NCc1ccccc1O ZINC000299532884 520284187 /nfs/dbraw/zinc/28/41/87/520284187.db2.gz SVGSICNSGJEELO-GFCCVEGCSA-N 0 0 264.369 3.160 20 10 CGCDRN CC1=CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000270397488 520866459 /nfs/dbraw/zinc/86/64/59/520866459.db2.gz ZCPLDKLAEXLCKF-UHFFFAOYSA-N 0 0 299.418 3.148 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(C)nc1 ZINC000264057894 521687657 /nfs/dbraw/zinc/68/76/57/521687657.db2.gz IIXNMSSFVAOEPY-UHFFFAOYSA-N 0 0 298.386 3.077 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC=CCC1 ZINC000299623737 521689300 /nfs/dbraw/zinc/68/93/00/521689300.db2.gz JKTHPKNPQQLLIA-AWEZNQCLSA-N 0 0 273.376 3.487 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000080504636 523900093 /nfs/dbraw/zinc/90/00/93/523900093.db2.gz SGQLAGSRPDJMTE-STQMWFEESA-N 0 0 278.396 3.358 20 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296.392 3.094 20 10 CGCDRN C[C@H](Nc1ccc(CCO)cc1)c1ccc(F)cc1O ZINC000062748029 525651447 /nfs/dbraw/zinc/65/14/47/525651447.db2.gz FEXQQWSXJBGKKT-NSHDSACASA-N 0 0 275.323 3.239 20 10 CGCDRN Cc1ccc(C(=O)N(C)C2CCC(F)(F)CC2)c(O)c1O ZINC000291653410 526056278 /nfs/dbraw/zinc/05/62/78/526056278.db2.gz CZILOTGRMYUETO-UHFFFAOYSA-N 0 0 299.317 3.056 20 10 CGCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000237638994 526239686 /nfs/dbraw/zinc/23/96/86/526239686.db2.gz LVOMVDYLWKRKOZ-CQSZACIVSA-N 0 0 282.387 3.121 20 10 CGCDRN Cc1cc(C(=O)NC2CC(C)C2)c(C)n1-c1ccccn1 ZINC000267716193 526264010 /nfs/dbraw/zinc/26/40/10/526264010.db2.gz PKHCKYWBYMZYCH-UHFFFAOYSA-N 0 0 283.375 3.017 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@@H](c1ccccc1)C1CC1 ZINC000299507642 526753452 /nfs/dbraw/zinc/75/34/52/526753452.db2.gz NBELZZBGVZYNCG-KRWDZBQOSA-N 0 0 296.370 3.343 20 10 CGCDRN Nc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000037666305 527481768 /nfs/dbraw/zinc/48/17/68/527481768.db2.gz UJLBYSDDRDFGLI-UHFFFAOYSA-N 0 0 286.400 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273.380 3.499 20 10 CGCDRN O=C(NC1(c2ccccc2)CCC1)C1=CC(=O)CS1 ZINC000731872342 572431082 /nfs/dbraw/zinc/43/10/82/572431082.db2.gz GFWYYICBRDTUSC-UHFFFAOYSA-N 0 0 273.357 3.263 20 10 CGCDRN CCCC[C@@H](CC)CNC(=O)C1=CC(=O)CS1 ZINC000731868057 572433030 /nfs/dbraw/zinc/43/30/30/572433030.db2.gz JVVAWANMPUTCRI-SNVBAGLBSA-N 0 0 255.383 3.400 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCc2c(Cl)cccc2C1 ZINC000740129330 572433186 /nfs/dbraw/zinc/43/31/86/572433186.db2.gz WDKIILSDGKVUDC-UHFFFAOYSA-N 0 0 293.775 3.306 20 10 CGCDRN O=C(NCCCC1CCCC1)C1=CC(=O)CS1 ZINC000731868073 572434527 /nfs/dbraw/zinc/43/45/27/572434527.db2.gz KNFKTSPXZZWCRK-UHFFFAOYSA-N 0 0 253.367 3.154 20 10 CGCDRN O=C(Nc1ccc(N2CCCC2)cc1)C1=CC(=O)CS1 ZINC000732264320 572455022 /nfs/dbraw/zinc/45/50/22/572455022.db2.gz PYNFGUJPJHGMQE-UHFFFAOYSA-N 0 0 288.372 3.306 20 10 CGCDRN O=C(NCc1ccc(F)c(Cl)c1)C1=CC(=O)CS1 ZINC000732281723 572458134 /nfs/dbraw/zinc/45/81/34/572458134.db2.gz AYKRBRDQSULVLQ-UHFFFAOYSA-N 0 0 285.727 3.176 20 10 CGCDRN CC(C)[C@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732286761 572459197 /nfs/dbraw/zinc/45/91/97/572459197.db2.gz JEBZCQPCYVSRAQ-QWRGUYRKSA-N 0 0 267.394 3.398 20 10 CGCDRN CCC[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740903692 572468551 /nfs/dbraw/zinc/46/85/51/572468551.db2.gz RRHSYUBIHJASRN-AWEZNQCLSA-N 0 0 287.407 3.051 20 10 CGCDRN Cc1cc(CNCc2cc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000742370208 572568622 /nfs/dbraw/zinc/56/86/22/572568622.db2.gz WTTIOETUSHKYBI-UHFFFAOYSA-N 0 0 294.402 3.415 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCCCO ZINC000733459010 572578636 /nfs/dbraw/zinc/57/86/36/572578636.db2.gz GRSSNAVPUCDYAM-UHFFFAOYSA-N 0 0 293.388 3.085 20 10 CGCDRN CSc1ccccc1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000742767487 572617299 /nfs/dbraw/zinc/61/72/99/572617299.db2.gz MCCFIMQDGCLVMG-QWRGUYRKSA-N 0 0 281.446 3.375 20 10 CGCDRN C[C@@H](CC(=O)NCCCSc1nccs1)C1CC1 ZINC000733974908 572620151 /nfs/dbraw/zinc/62/01/51/572620151.db2.gz PLQCOBDDELTABQ-JTQLQIEISA-N 0 0 284.450 3.178 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1c(F)cc(F)cc1F ZINC000743222683 572642776 /nfs/dbraw/zinc/64/27/76/572642776.db2.gz MCVCFXSZUUGIOY-UHFFFAOYSA-N 0 0 296.248 3.131 20 10 CGCDRN CC[C@@H](C)CN(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000734687654 572675086 /nfs/dbraw/zinc/67/50/86/572675086.db2.gz OATQFJIESFDZHK-CYBMUJFWSA-N 0 0 291.439 3.249 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC(C)C ZINC000734687531 572675166 /nfs/dbraw/zinc/67/51/66/572675166.db2.gz GWGYQYVGYWESOG-UHFFFAOYSA-N 0 0 291.439 3.249 20 10 CGCDRN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)C1=CC(=O)CS1 ZINC000743655581 572676768 /nfs/dbraw/zinc/67/67/68/572676768.db2.gz UNFHAPMOFXPMGD-VXGBXAGGSA-N 0 0 265.378 3.152 20 10 CGCDRN COc1cc(C)nc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000735487402 572724904 /nfs/dbraw/zinc/72/49/04/572724904.db2.gz XAOCBMRONMIGBV-UHFFFAOYSA-N 0 0 298.390 3.006 20 10 CGCDRN CCc1cnc(CN(CC)c2ccc(OC)cc2)o1 ZINC000744392332 572749226 /nfs/dbraw/zinc/74/92/26/572749226.db2.gz YSXSIZXCQDLHLR-UHFFFAOYSA-N 0 0 260.337 3.272 20 10 CGCDRN CCN(Cc1ccoc1C(=O)OC)c1ccc(OC)cc1 ZINC000746109189 572853469 /nfs/dbraw/zinc/85/34/69/572853469.db2.gz LYDLJOJVUNVCJI-UHFFFAOYSA-N 0 0 289.331 3.101 20 10 CGCDRN COC(=O)c1cc(CSc2nccs2)c(C)o1 ZINC000747364532 572926683 /nfs/dbraw/zinc/92/66/83/572926683.db2.gz WDCFNQCAGBTZDL-UHFFFAOYSA-N 0 0 269.347 3.123 20 10 CGCDRN CCN(CCNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC000747681628 572940343 /nfs/dbraw/zinc/94/03/43/572940343.db2.gz DGUYVUVZGSYVSX-UHFFFAOYSA-N 0 0 294.395 3.046 20 10 CGCDRN O=C(NCc1ccc(Cl)cc1)NCc1ccccc1O ZINC000748462236 572978180 /nfs/dbraw/zinc/97/81/80/572978180.db2.gz CNGAMNRDPDZTHN-UHFFFAOYSA-N 0 0 290.750 3.045 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2(CC)CC2)cc1F ZINC000749386865 572996703 /nfs/dbraw/zinc/99/67/03/572996703.db2.gz VAQDYTGGVFGYGP-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN CCN(Cc1nccs1)c1ccc(OC)c(OC)c1 ZINC000749523056 573016323 /nfs/dbraw/zinc/01/63/23/573016323.db2.gz NDCZTBBPRHQCSX-UHFFFAOYSA-N 0 0 278.377 3.187 20 10 CGCDRN CCc1cnc(COc2ccc(N3CCCC3)cc2)o1 ZINC000749791519 573040101 /nfs/dbraw/zinc/04/01/01/573040101.db2.gz QHBUZVFKLMNREI-UHFFFAOYSA-N 0 0 272.348 3.416 20 10 CGCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000750251537 573105122 /nfs/dbraw/zinc/10/51/22/573105122.db2.gz SDWSDIBPGRFJDM-QWRGUYRKSA-N 0 0 285.434 3.248 20 10 CGCDRN CC(C)OC(=O)OCSc1ncc(Cl)s1 ZINC000863348488 629541705 /nfs/dbraw/zinc/54/17/05/629541705.db2.gz XTTXVOYWANJKMJ-UHFFFAOYSA-N 0 0 267.759 3.408 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1cccc(Cl)c1[O-] ZINC000806136332 617973490 /nfs/dbraw/zinc/97/34/90/617973490.db2.gz WUNOAJAHCXGFSH-BXUZGUMPSA-N 0 0 285.815 3.493 20 10 CGCDRN CC(C)Oc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000255140800 617985522 /nfs/dbraw/zinc/98/55/22/617985522.db2.gz APOSLPKCJCOUPU-XYOKQWHBSA-N 0 0 293.413 3.305 20 10 CGCDRN O=C(C[C@@H]1CC=CCC1)NCc1cccc(Cl)c1O ZINC000890762488 617818452 /nfs/dbraw/zinc/81/84/52/617818452.db2.gz FCLRJWFDENHYHB-LLVKDONJSA-N 0 0 279.767 3.408 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000890763340 617819127 /nfs/dbraw/zinc/81/91/27/617819127.db2.gz SOTVLVKEGWCENF-ZSBIGDGJSA-N 0 0 293.794 3.488 20 10 CGCDRN Nc1ccc(Cc2noc(C3CCCCC3)n2)cc1 ZINC000843164027 618026670 /nfs/dbraw/zinc/02/66/70/618026670.db2.gz RQRGILITFONWNW-UHFFFAOYSA-N 0 0 257.337 3.290 20 10 CGCDRN Cc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)s1 ZINC000048402609 618050591 /nfs/dbraw/zinc/05/05/91/618050591.db2.gz SJMKGBAWROPGHG-POHAHGRESA-N 0 0 281.427 3.420 20 10 CGCDRN C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000248493085 618167133 /nfs/dbraw/zinc/16/71/33/618167133.db2.gz JUVNBZYJSDYGFY-GMTAPVOTSA-N 0 0 267.344 3.138 20 10 CGCDRN Oc1ccccc1CN(Cc1ccon1)Cc1ccco1 ZINC000077284157 618214830 /nfs/dbraw/zinc/21/48/30/618214830.db2.gz PGPIOZQROLWGTD-UHFFFAOYSA-N 0 0 284.315 3.176 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc3c2CN(C)C3=O)c1 ZINC000840855509 618685000 /nfs/dbraw/zinc/68/50/00/618685000.db2.gz CVBCAEOZALJHOJ-GFCCVEGCSA-N 0 0 296.370 3.459 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000840881668 618861780 /nfs/dbraw/zinc/86/17/80/618861780.db2.gz IRNWRTOKDMTRIU-OFQRWUPVSA-N 0 0 283.387 3.368 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)oc2C)cc1F ZINC000851809785 618923652 /nfs/dbraw/zinc/92/36/52/618923652.db2.gz YNLISUMPXPIABP-UHFFFAOYSA-N 0 0 264.300 3.076 20 10 CGCDRN CCc1cnc(CNCc2ccc(N(C)C)cc2C)s1 ZINC000784549421 618963275 /nfs/dbraw/zinc/96/32/75/618963275.db2.gz PFXKGXCJTOZCBT-UHFFFAOYSA-N 0 0 289.448 3.370 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCCC[C@@H]1C ZINC000182309872 619035018 /nfs/dbraw/zinc/03/50/18/619035018.db2.gz UJOFXIUGJRTXFW-SMDDNHRTSA-N 0 0 291.391 3.447 20 10 CGCDRN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183395335 619044568 /nfs/dbraw/zinc/04/45/68/619044568.db2.gz MMGIYDZJGNRYKM-LBPRGKRZSA-N 0 0 284.359 3.201 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(N)c2)cc1 ZINC000178712430 619376514 /nfs/dbraw/zinc/37/65/14/619376514.db2.gz IGRXPFYDDHDURX-UHFFFAOYSA-N 0 0 297.402 3.045 20 10 CGCDRN Cc1ccc(N(CC2CC2)C(=O)/C=C/c2cnccn2)cc1 ZINC000894236459 619434664 /nfs/dbraw/zinc/43/46/64/619434664.db2.gz SOWKIXDZHBKBCE-RMKNXTFCSA-N 0 0 293.370 3.241 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C(C)C)c[nH]2)cc1F ZINC000894429281 619531996 /nfs/dbraw/zinc/53/19/96/619531996.db2.gz CCESJOUEXUELPY-UHFFFAOYSA-N 0 0 277.343 3.317 20 10 CGCDRN CCCNC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164266830 619601808 /nfs/dbraw/zinc/60/18/08/619601808.db2.gz RCTZHPXIWSBWAZ-SECBINFHSA-N 0 0 286.466 3.447 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1C ZINC000895068093 619708309 /nfs/dbraw/zinc/70/83/09/619708309.db2.gz INLLTFQRHLQEAN-UHFFFAOYSA-N 0 0 297.402 3.170 20 10 CGCDRN CCO[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C1(CC)CC ZINC000749545726 619737884 /nfs/dbraw/zinc/73/78/84/619737884.db2.gz WBMJXXPFMFSNBM-OLZOCXBDSA-N 0 0 297.420 3.167 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895843852 619892873 /nfs/dbraw/zinc/89/28/73/619892873.db2.gz DKJMDWFXVVMDIK-HZMBPMFUSA-N 0 0 299.773 3.186 20 10 CGCDRN CS[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896640058 620041622 /nfs/dbraw/zinc/04/16/22/620041622.db2.gz OQHCHSXGHVXNPT-QWRGUYRKSA-N 0 0 269.385 3.295 20 10 CGCDRN C[C@H](CCc1cccnc1)[NH2+]Cc1c([O-])cccc1F ZINC000896638361 620041664 /nfs/dbraw/zinc/04/16/64/620041664.db2.gz AZGKPDFRLWUEIT-GFCCVEGCSA-N 0 0 274.339 3.037 20 10 CGCDRN CCOc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1F ZINC000896637907 620041827 /nfs/dbraw/zinc/04/18/27/620041827.db2.gz RBFJZRIIJOLCBT-UHFFFAOYSA-N 0 0 293.313 3.359 20 10 CGCDRN CC[C@@H](O)CCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796827572 620154102 /nfs/dbraw/zinc/15/41/02/620154102.db2.gz OCOBJMSFSNOZBU-OCCSQVGLSA-N 0 0 269.360 3.123 20 10 CGCDRN CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000185679323 625412805 /nfs/dbraw/zinc/41/28/05/625412805.db2.gz KUIYJUWLYJFAGH-CJNGLKHVSA-N 0 0 289.423 3.083 20 10 CGCDRN COc1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC000840998822 620302582 /nfs/dbraw/zinc/30/25/82/620302582.db2.gz 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/nfs/dbraw/zinc/62/47/20/620624720.db2.gz MBLUUNHUHLHXIY-SECBINFHSA-N 0 0 289.356 3.009 20 10 CGCDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cccc(O)c1O ZINC000185789711 625441146 /nfs/dbraw/zinc/44/11/46/625441146.db2.gz FIUVVVBEPHDBLC-RYUDHWBXSA-N 0 0 285.343 3.020 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccco1 ZINC000042411480 620836022 /nfs/dbraw/zinc/83/60/22/620836022.db2.gz WHONUSHLXSASOC-UHFFFAOYSA-N 0 0 282.137 3.038 20 10 CGCDRN Oc1c(Br)cccc1CNc1cccnc1 ZINC000042411516 620836510 /nfs/dbraw/zinc/83/65/10/620836510.db2.gz DJDUDSZRSJVUHU-UHFFFAOYSA-N 0 0 279.137 3.162 20 10 CGCDRN Cc1cn(C)nc1CNc1ccccc1NC(C)C ZINC000901433623 620887136 /nfs/dbraw/zinc/88/71/36/620887136.db2.gz YVMXCSBHGHWKFD-UHFFFAOYSA-N 0 0 258.369 3.161 20 10 CGCDRN C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000903258242 621645063 /nfs/dbraw/zinc/64/50/63/621645063.db2.gz TWBJFFYGVWSTCV-SNVBAGLBSA-N 0 0 297.345 3.016 20 10 CGCDRN C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1c(O)cccc1F ZINC000903325707 621680411 /nfs/dbraw/zinc/68/04/11/621680411.db2.gz UNYWVFGBVLXQIQ-MEBBXXQBSA-N 0 0 287.338 3.123 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903316319 621686476 /nfs/dbraw/zinc/68/64/76/621686476.db2.gz DJGYRCUWBQKNLX-BDAKNGLRSA-N 0 0 289.206 3.054 20 10 CGCDRN CC(C)CCc1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905407693 622068443 /nfs/dbraw/zinc/06/84/43/622068443.db2.gz IUBLHDNTYORXMC-UHFFFAOYSA-N 0 0 297.305 3.254 20 10 CGCDRN O=C(/C=C\C1CCCCCC1)NCc1ccc(O)cc1O ZINC000910942592 622511055 /nfs/dbraw/zinc/51/10/55/622511055.db2.gz FOXHNPSXRCATBZ-YFHOEESVSA-N 0 0 289.375 3.241 20 10 CGCDRN Cc1cccc(CCNC(=O)N(C)Cc2ccccc2O)c1 ZINC000157047399 622861624 /nfs/dbraw/zinc/86/16/24/622861624.db2.gz HQXCLRAURPORAC-UHFFFAOYSA-N 0 0 298.386 3.085 20 10 CGCDRN CCCC(O)(CCC)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877054643 622898839 /nfs/dbraw/zinc/89/88/39/622898839.db2.gz GXZCNUGDMZUHNP-UHFFFAOYSA-N 0 0 287.350 3.091 20 10 CGCDRN Oc1cccc(Cl)c1CNc1ccc(F)nc1 ZINC000157710196 622940661 /nfs/dbraw/zinc/94/06/61/622940661.db2.gz SNQHAUQXAZHEMS-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN CC(=O)Nc1cc(NCc2cccc(C)c2O)ccc1F ZINC000158051915 622994832 /nfs/dbraw/zinc/99/48/32/622994832.db2.gz YCTVFKIAZSISHS-UHFFFAOYSA-N 0 0 288.322 3.410 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000173131878 623309584 /nfs/dbraw/zinc/30/95/84/623309584.db2.gz VWIAGWSWBXURNS-FRRDWIJNSA-N 0 0 291.391 3.404 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1O ZINC000088706192 623487941 /nfs/dbraw/zinc/48/79/41/623487941.db2.gz YLYXDCHCYZEDEI-QWRGUYRKSA-N 0 0 279.355 3.354 20 10 CGCDRN Cc1cc(C)c(C(=O)N[C@H](C)c2ccccc2O)c(C)n1 ZINC000913763682 623576883 /nfs/dbraw/zinc/57/68/83/623576883.db2.gz OCBKKVUXLLCAQV-GFCCVEGCSA-N 0 0 284.359 3.203 20 10 CGCDRN C[C@@H]1CCC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000152841143 623725094 /nfs/dbraw/zinc/72/50/94/623725094.db2.gz FMCRSYHEZZFWRA-OCCSQVGLSA-N 0 0 292.398 3.334 20 10 CGCDRN Cc1nc(C)c(CSc2ncc(Cl)s2)[nH]1 ZINC000918095698 624333273 /nfs/dbraw/zinc/33/32/73/624333273.db2.gz MOIPNBNSZLZLHF-UHFFFAOYSA-N 0 0 259.787 3.429 20 10 CGCDRN Fc1cccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc21 ZINC000154748103 624358264 /nfs/dbraw/zinc/35/82/64/624358264.db2.gz ROQNXQYGZDBKAC-UHFFFAOYSA-N 0 0 297.333 3.206 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NCCC2CC2)cc1 ZINC000175642595 624653631 /nfs/dbraw/zinc/65/36/31/624653631.db2.gz KUVBCLALNMJVKR-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN Cc1ccc(C(=O)NCc2cc3ccccc3o2)c(O)c1O ZINC000179432180 624656550 /nfs/dbraw/zinc/65/65/50/624656550.db2.gz UKGKJTJWUAOUKK-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN CCC[C@H](CC)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000170880067 624728876 /nfs/dbraw/zinc/72/88/76/624728876.db2.gz RNMIJQFXELDINC-NEPJUHHUSA-N 0 0 294.395 3.340 20 10 CGCDRN Cc1cc(C)cc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180684898 624766776 /nfs/dbraw/zinc/76/67/76/624766776.db2.gz HIRPCMISQONKQC-FNORWQNLSA-N 0 0 297.354 3.391 20 10 CGCDRN COc1ccc(N(C)Cc2cnc3ccc(C)cn23)cc1F ZINC000180773135 624771238 /nfs/dbraw/zinc/77/12/38/624771238.db2.gz KUXULKWNSXXXIP-UHFFFAOYSA-N 0 0 299.349 3.427 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180911976 624780535 /nfs/dbraw/zinc/78/05/35/624780535.db2.gz UNVRLLGDDJLNPX-PPOCWRSBSA-N 0 0 297.354 3.297 20 10 CGCDRN CCCC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000181190831 624820495 /nfs/dbraw/zinc/82/04/95/624820495.db2.gz VPHDBYFRMRIWAE-FNORWQNLSA-N 0 0 289.375 3.198 20 10 CGCDRN C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000070829246 625036603 /nfs/dbraw/zinc/03/66/03/625036603.db2.gz ABPBLNJRRGKBQG-CABZTGNLSA-N 0 0 284.197 3.433 20 10 CGCDRN C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000186210496 625754804 /nfs/dbraw/zinc/75/48/04/625754804.db2.gz JUVNBZYJSDYGFY-MXWKQRLJSA-N 0 0 267.344 3.138 20 10 CGCDRN CCCn1cc(N[C@H](C)c2ccc(C)cc2O)cn1 ZINC000186340052 625791112 /nfs/dbraw/zinc/79/11/12/625791112.db2.gz NVGKHKSSHHZDSM-GFCCVEGCSA-N 0 0 259.353 3.480 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2C=CCCC2)c1 ZINC000186872610 626077559 /nfs/dbraw/zinc/07/75/59/626077559.db2.gz YHZNVONCTBDUQP-STQMWFEESA-N 0 0 289.375 3.324 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cccnc1Cl ZINC000171080536 626088180 /nfs/dbraw/zinc/08/81/80/626088180.db2.gz BRIPGJSLEVZJIR-UHFFFAOYSA-N 0 0 274.751 3.306 20 10 CGCDRN CCC[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000824544125 626171484 /nfs/dbraw/zinc/17/14/84/626171484.db2.gz UKAVEWJPVSEXSG-VIFPVBQESA-N 0 0 275.751 3.089 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C12CCC2 ZINC000839182615 626326174 /nfs/dbraw/zinc/32/61/74/626326174.db2.gz ODXFHBBILPESPN-CHWSQXEVSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccn(C)n1 ZINC000839191439 626328518 /nfs/dbraw/zinc/32/85/18/626328518.db2.gz POJZUZQVQQRLCM-HNNXBMFYSA-N 0 0 298.434 3.261 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000124752238 634497354 /nfs/dbraw/zinc/49/73/54/634497354.db2.gz SOGSVZPHFNAGOJ-LLVKDONJSA-N 0 0 251.757 3.492 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2C[C@@H]2C2CC2)C2CC2)cc1 ZINC000751228964 626382049 /nfs/dbraw/zinc/38/20/49/626382049.db2.gz WDUXVWCBJQUIJP-QZTJIDSGSA-N 0 0 298.430 3.290 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C)CCC1 ZINC000752025591 626415854 /nfs/dbraw/zinc/41/58/54/626415854.db2.gz YJGWVPXDLHMYSL-UHFFFAOYSA-N 0 0 289.423 3.050 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC2(Cl)Cl)c(OC)c1 ZINC000752125156 626419750 /nfs/dbraw/zinc/41/97/50/626419750.db2.gz ADWQAXHOEHNZCQ-SECBINFHSA-N 0 0 290.190 3.334 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000752922614 626441837 /nfs/dbraw/zinc/44/18/37/626441837.db2.gz JIHYDNMMEGYAQS-UHFFFAOYSA-N 0 0 276.336 3.113 20 10 CGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)nn1[C@@H](C)C1CC1 ZINC000753468373 626452382 /nfs/dbraw/zinc/45/23/82/626452382.db2.gz JNYWCANPGVPYAR-VIFPVBQESA-N 0 0 291.376 3.182 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCc3ccc(F)cc32)cn1 ZINC000754200169 626563596 /nfs/dbraw/zinc/56/35/96/626563596.db2.gz IXZAERQKADVRSY-QPJJXVBHSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3ccccc32)cn1 ZINC000754259685 626565428 /nfs/dbraw/zinc/56/54/28/626565428.db2.gz IZMILDMKDQXGPM-HBWSCVEGSA-N 0 0 294.354 3.217 20 10 CGCDRN CCN(Cc1ccc(OC)nc1)c1ccc(OC)cc1 ZINC000754642166 626580261 /nfs/dbraw/zinc/58/02/61/626580261.db2.gz YUKCUQSYIDKFSX-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000756284790 626689038 /nfs/dbraw/zinc/68/90/38/626689038.db2.gz GOFIBXZGKUITAH-MRXNPFEDSA-N 0 0 290.407 3.020 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCCCC2)c1 ZINC000756354414 626695274 /nfs/dbraw/zinc/69/52/74/626695274.db2.gz BCZRFNBMHKWYCT-LLVKDONJSA-N 0 0 277.364 3.162 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756443693 626706210 /nfs/dbraw/zinc/70/62/10/626706210.db2.gz UGQLFEXHTMUIRJ-NWDGAFQWSA-N 0 0 298.377 3.195 20 10 CGCDRN CSCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756586938 626718495 /nfs/dbraw/zinc/71/84/95/626718495.db2.gz XADXZIAZASHPLX-BDAKNGLRSA-N 0 0 275.364 3.463 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(F)cc(F)c1[O-] ZINC000756656457 626725339 /nfs/dbraw/zinc/72/53/39/626725339.db2.gz XXVRAJPVSRLFHJ-PVRXDPTQSA-N 0 0 297.345 3.279 20 10 CGCDRN CCC1(O)CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000756675910 626726754 /nfs/dbraw/zinc/72/67/54/626726754.db2.gz HXSXNGUHHYIVFK-XOMBGVMMSA-N 0 0 281.371 3.266 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)C1CC1 ZINC000757211688 626761057 /nfs/dbraw/zinc/76/10/57/626761057.db2.gz VWSJEFHIMDUHRF-UHFFFAOYSA-N 0 0 289.423 3.049 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000839787258 626788503 /nfs/dbraw/zinc/78/85/03/626788503.db2.gz LSGNNTKRTIXWIE-CYBMUJFWSA-N 0 0 289.356 3.414 20 10 CGCDRN Cc1nnc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000757637210 626796475 /nfs/dbraw/zinc/79/64/75/626796475.db2.gz GJDFLDVKBSJNEQ-XCBNKYQSSA-N 0 0 293.367 3.029 20 10 CGCDRN CC1(CNC(=O)NCc2ccccc2O)CCCCC1 ZINC000757665553 626798899 /nfs/dbraw/zinc/79/88/99/626798899.db2.gz KZENFMDBOLMEKN-UHFFFAOYSA-N 0 0 276.380 3.162 20 10 CGCDRN CN(C)c1ccc(OCc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000757704582 626802443 /nfs/dbraw/zinc/80/24/43/626802443.db2.gz MRYRSSBBIWASIK-UHFFFAOYSA-N 0 0 290.294 3.379 20 10 CGCDRN C[N@H+](Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000757891258 626812400 /nfs/dbraw/zinc/81/24/00/626812400.db2.gz XSIPUHUQPNMGOI-UHFFFAOYSA-N 0 0 262.740 3.073 20 10 CGCDRN CN(Cc1ccncc1)Cc1c(O)cccc1Cl ZINC000757886178 626812698 /nfs/dbraw/zinc/81/26/98/626812698.db2.gz ACKUFTMSEZWUKS-UHFFFAOYSA-N 0 0 262.740 3.073 20 10 CGCDRN CCn1ccnc1CNc1ccccc1OCC1CC1 ZINC000758423789 626843196 /nfs/dbraw/zinc/84/31/96/626843196.db2.gz QFZBLUNYMQWKTK-UHFFFAOYSA-N 0 0 271.364 3.304 20 10 CGCDRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)C2=CC(=O)CS2)C1 ZINC000758695755 626855013 /nfs/dbraw/zinc/85/50/13/626855013.db2.gz OSVQJLYWDLSZNS-GXFFZTMASA-N 0 0 288.372 3.072 20 10 CGCDRN CCCC1(CNC(=O)NCc2ccccc2O)CCC1 ZINC000758737402 626857413 /nfs/dbraw/zinc/85/74/13/626857413.db2.gz MEAMZELNGPBGDM-UHFFFAOYSA-N 0 0 276.380 3.162 20 10 CGCDRN Oc1cccc(Cl)c1CNc1nnc(C(F)F)s1 ZINC000759088363 626873529 /nfs/dbraw/zinc/87/35/29/626873529.db2.gz DXEHZSWUKDSCCG-UHFFFAOYSA-N 0 0 291.710 3.447 20 10 CGCDRN CC1CCC(COC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000759594148 626908203 /nfs/dbraw/zinc/90/82/03/626908203.db2.gz LOTIHDSQEUVANV-VQHVLOKHSA-N 0 0 290.359 3.481 20 10 CGCDRN C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1(C)C ZINC000760133515 626941167 /nfs/dbraw/zinc/94/11/67/626941167.db2.gz IWGJXGQHVFPAKV-SMYYYNMVSA-N 0 0 289.375 3.006 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2=CCCC2)cc1F ZINC000760554972 626978493 /nfs/dbraw/zinc/97/84/93/626978493.db2.gz CRFKFDOECDCTMM-UHFFFAOYSA-N 0 0 290.382 3.398 20 10 CGCDRN Cc1cnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000760817122 626993879 /nfs/dbraw/zinc/99/38/79/626993879.db2.gz JTVVHSXYJROPOW-UHFFFAOYSA-N 0 0 296.418 3.016 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760895695 627000749 /nfs/dbraw/zinc/00/07/49/627000749.db2.gz XCYKVLJPAHYTMO-LLVKDONJSA-N 0 0 296.367 3.014 20 10 CGCDRN COc1ccc(N(C)Cc2ccsc2)cc1OC ZINC000761219699 627026442 /nfs/dbraw/zinc/02/64/42/627026442.db2.gz AXLVXYBGQJJDTJ-UHFFFAOYSA-N 0 0 263.362 3.402 20 10 CGCDRN CC1(C)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000874465037 634547053 /nfs/dbraw/zinc/54/70/53/634547053.db2.gz DFDRPIUTXLMFHU-UHFFFAOYSA-N 0 0 288.351 3.111 20 10 CGCDRN CC(C)C1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000764341211 627203369 /nfs/dbraw/zinc/20/33/69/627203369.db2.gz DQLMHCBUPARRKK-UHFFFAOYSA-N 0 0 267.394 3.398 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000765617948 627263220 /nfs/dbraw/zinc/26/32/20/627263220.db2.gz DGUVMFZKENRQOS-SECBINFHSA-N 0 0 278.333 3.213 20 10 CGCDRN CN(Cc1cccc(Cl)n1)c1ccc2c(c1)OCO2 ZINC000121425442 634561220 /nfs/dbraw/zinc/56/12/20/634561220.db2.gz FCAIJGPCKMUVEE-UHFFFAOYSA-N 0 0 276.723 3.100 20 10 CGCDRN CCc1cc(C)nc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000766042133 627289816 /nfs/dbraw/zinc/28/98/16/627289816.db2.gz FNTVNPLEEBOUGL-UHFFFAOYSA-N 0 0 284.407 3.050 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCCCCCO ZINC000766267293 627307475 /nfs/dbraw/zinc/30/74/75/627307475.db2.gz AZALOXDTVVIXQY-UHFFFAOYSA-N 0 0 277.408 3.391 20 10 CGCDRN C[C@H](Nc1nnc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000767333697 627398692 /nfs/dbraw/zinc/39/86/92/627398692.db2.gz XIIDPPOCUMFGRN-JTQLQIEISA-N 0 0 272.352 3.186 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000768272975 627472344 /nfs/dbraw/zinc/47/23/44/627472344.db2.gz XPAYCNFQEWDPQB-JGVFFNPUSA-N 0 0 292.257 3.292 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C\c1ccccc1F ZINC000769283848 627535737 /nfs/dbraw/zinc/53/57/37/627535737.db2.gz YZZNECJLIVUYOQ-KHPPLWFESA-N 0 0 285.318 3.203 20 10 CGCDRN C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000769362310 627545108 /nfs/dbraw/zinc/54/51/08/627545108.db2.gz HNHSCGDPJRNJBJ-ZRDIBKRKSA-N 0 0 285.318 3.251 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2cc[nH]n2)cc1F ZINC000769383615 627546919 /nfs/dbraw/zinc/54/69/19/627546919.db2.gz FDEDYLIWEYLJOV-UHFFFAOYSA-N 0 0 290.386 3.027 20 10 CGCDRN CC1(C)CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769398138 627548617 /nfs/dbraw/zinc/54/86/17/627548617.db2.gz GRRKWGQKNZUWBV-UHFFFAOYSA-N 0 0 284.743 3.186 20 10 CGCDRN C[C@H](CCC1CC1)NC(=O)N(C)Cc1ccccc1O ZINC000769556526 627565891 /nfs/dbraw/zinc/56/58/91/627565891.db2.gz MKCNAKICXHPNEF-GFCCVEGCSA-N 0 0 276.380 3.112 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H](F)c1ccccc1 ZINC000769596720 627568310 /nfs/dbraw/zinc/56/83/10/627568310.db2.gz FDPONOCQTPAXRY-OAHLLOKOSA-N 0 0 273.307 3.061 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000769990666 627595507 /nfs/dbraw/zinc/59/55/07/627595507.db2.gz VVJYNLWLVMLXEA-SDBXPKJASA-N 0 0 299.342 3.116 20 10 CGCDRN CSc1cncc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772301978 627782878 /nfs/dbraw/zinc/78/28/78/627782878.db2.gz ZDGPTEMFGINBEQ-LLVKDONJSA-N 0 0 288.420 3.438 20 10 CGCDRN C[C@H](Nc1ncc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000772299741 627783020 /nfs/dbraw/zinc/78/30/20/627783020.db2.gz GUEDCNKTNPMCHM-JTQLQIEISA-N 0 0 276.771 3.369 20 10 CGCDRN CCCN(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000772452446 627792721 /nfs/dbraw/zinc/79/27/21/627792721.db2.gz VAMDHSYVGDLESZ-UHFFFAOYSA-N 0 0 289.423 3.179 20 10 CGCDRN C[C@@H](NC(=O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773007410 627840486 /nfs/dbraw/zinc/84/04/86/627840486.db2.gz IOTSHYCZWFCHHI-GFCCVEGCSA-N 0 0 262.397 3.366 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000773012029 627841822 /nfs/dbraw/zinc/84/18/22/627841822.db2.gz FTASHAXXJLTWNO-KGLIPLIRSA-N 0 0 297.402 3.129 20 10 CGCDRN CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773019551 627843387 /nfs/dbraw/zinc/84/33/87/627843387.db2.gz YXJRUAFSYRQXKL-CHWSQXEVSA-N 0 0 262.397 3.366 20 10 CGCDRN CCC[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccn1 ZINC000774043665 627939788 /nfs/dbraw/zinc/93/97/88/627939788.db2.gz LQAUFQZTMTZOMJ-OAHLLOKOSA-N 0 0 298.386 3.330 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(O)c1 ZINC000775408173 628091726 /nfs/dbraw/zinc/09/17/26/628091726.db2.gz XKEIRIOQRQCHBI-ZDUSSCGKSA-N 0 0 298.386 3.258 20 10 CGCDRN Cc1cc(Cl)cc(CNc2ccc(C(N)=O)cc2)c1O ZINC000775638028 628118580 /nfs/dbraw/zinc/11/85/80/628118580.db2.gz WFDBXWYHAQMNGF-UHFFFAOYSA-N 0 0 290.750 3.065 20 10 CGCDRN C[C@H]1C[NH+](Cc2cccc(Cl)c2[O-])C[C@H](C)S1 ZINC000775665181 628122200 /nfs/dbraw/zinc/12/22/00/628122200.db2.gz ZVKNDGPMXUAWMY-UWVGGRQHSA-N 0 0 271.813 3.371 20 10 CGCDRN CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737917 628131097 /nfs/dbraw/zinc/13/10/97/628131097.db2.gz VKDDILWLNXPYQM-SECBINFHSA-N 0 0 257.736 3.417 20 10 CGCDRN CC(C)c1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775830145 628140282 /nfs/dbraw/zinc/14/02/82/628140282.db2.gz DLMDVDNPTAEAHU-LBPRGKRZSA-N 0 0 288.395 3.110 20 10 CGCDRN C[C@@H](NCc1nnsc1Cl)c1ccc(N(C)C)cc1 ZINC000775830152 628140337 /nfs/dbraw/zinc/14/03/37/628140337.db2.gz DSXJQXXBJDTFDX-SECBINFHSA-N 0 0 296.827 3.108 20 10 CGCDRN CC(C)c1nnc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775834290 628141086 /nfs/dbraw/zinc/14/10/86/628141086.db2.gz QHEGMBXRIPBVEF-GFCCVEGCSA-N 0 0 288.395 3.110 20 10 CGCDRN CC(C)([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000776177472 628176903 /nfs/dbraw/zinc/17/69/03/628176903.db2.gz PBBLYXKKCZNLJD-UHFFFAOYSA-N 0 0 257.736 3.463 20 10 CGCDRN C[C@H](NC(=O)N1C2CCC1CC2)c1ccc(N(C)C)cc1 ZINC000776246621 628183599 /nfs/dbraw/zinc/18/35/99/628183599.db2.gz SIGZLUMVHPXDCP-JQRITLKVSA-N 0 0 287.407 3.150 20 10 CGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC000776280414 628188549 /nfs/dbraw/zinc/18/85/49/628188549.db2.gz QIKAUCUTQWXELW-MRVPVSSYSA-N 0 0 294.253 3.294 20 10 CGCDRN CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000776615694 628223667 /nfs/dbraw/zinc/22/36/67/628223667.db2.gz OHMLPDVAXBEXTM-HNNXBMFYSA-N 0 0 285.343 3.225 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2ccc(C)nc2)c1 ZINC000777856316 628304267 /nfs/dbraw/zinc/30/42/67/628304267.db2.gz XJZRKXSWFRQYDO-MDZDMXLPSA-N 0 0 266.344 3.375 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1F ZINC000779151125 628391163 /nfs/dbraw/zinc/39/11/63/628391163.db2.gz VMKCGINIMAROHK-BXKDBHETSA-N 0 0 257.736 3.226 20 10 CGCDRN Cc1cccc(C)c1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779533678 628416321 /nfs/dbraw/zinc/41/63/21/628416321.db2.gz KXWUPRLOUPVVBD-VQHVLOKHSA-N 0 0 297.354 3.044 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1C ZINC000779655125 628419480 /nfs/dbraw/zinc/41/94/80/628419480.db2.gz DWLBPXPJPXKZIK-FNORWQNLSA-N 0 0 282.343 3.080 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=CCC1 ZINC000779820643 628435910 /nfs/dbraw/zinc/43/59/10/628435910.db2.gz KXKNLGMBSZDNPL-UHFFFAOYSA-N 0 0 272.392 3.210 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)NCc2nnc(C)s2)cc1 ZINC000780743052 628513129 /nfs/dbraw/zinc/51/31/29/628513129.db2.gz FXYGKZOETDUKBZ-LLVKDONJSA-N 0 0 290.436 3.153 20 10 CGCDRN C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000780788887 628518447 /nfs/dbraw/zinc/51/84/47/628518447.db2.gz IHRFKDWJFAXPIG-ZFWWWQNUSA-N 0 0 289.423 3.083 20 10 CGCDRN COC(=O)[C@H](NCc1cc(Cl)cc(C)c1O)C(C)(C)C ZINC000780892199 628522615 /nfs/dbraw/zinc/52/26/15/628522615.db2.gz CJIZKBWJKJLNRL-ZDUSSCGKSA-N 0 0 299.798 3.031 20 10 CGCDRN CN(C)c1ccc(CNc2cccc3c2OCO3)cc1F ZINC000782381555 628642919 /nfs/dbraw/zinc/64/29/19/628642919.db2.gz NCVFJIOXOJZIMZ-UHFFFAOYSA-N 0 0 288.322 3.233 20 10 CGCDRN C[C@H](Nc1cccc2c1oc(=O)n2C)c1ccccc1O ZINC000783528407 628721858 /nfs/dbraw/zinc/72/18/58/628721858.db2.gz NDWCCTVPLQEXAN-JTQLQIEISA-N 0 0 284.315 3.010 20 10 CGCDRN COc1cccc([C@@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000783607386 628731258 /nfs/dbraw/zinc/73/12/58/628731258.db2.gz GTEPMHZNEUBCPW-SECBINFHSA-N 0 0 278.329 3.380 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccc(OC)cc1 ZINC000783876155 628754435 /nfs/dbraw/zinc/75/44/35/628754435.db2.gz BEZIDHKSNJAWSF-YHYXMXQVSA-N 0 0 296.370 3.465 20 10 CGCDRN CCCN(Cc1nnc(CC)s1)Cc1ccccc1O ZINC000784163499 628789492 /nfs/dbraw/zinc/78/94/92/628789492.db2.gz OWCJYADDSDZQBY-UHFFFAOYSA-N 0 0 291.420 3.218 20 10 CGCDRN CCOc1ccc(N(C)Cc2cccnc2OC)cc1 ZINC000785693168 628881389 /nfs/dbraw/zinc/88/13/89/628881389.db2.gz QYNDHWYIVDDKAE-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN Cc1coc(C)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000786186508 628917582 /nfs/dbraw/zinc/91/75/82/628917582.db2.gz QHOUURUBUCEXLD-UHFFFAOYSA-N 0 0 286.375 3.201 20 10 CGCDRN CN(Cc1ccccc1O)c1nc(-c2ccccc2)no1 ZINC000786796230 628964035 /nfs/dbraw/zinc/96/40/35/628964035.db2.gz CQLXLBVVXBEZQU-UHFFFAOYSA-N 0 0 281.315 3.079 20 10 CGCDRN CC(C)[C@H](NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000786837089 628966968 /nfs/dbraw/zinc/96/69/68/628966968.db2.gz RKJAUGKSKYMJGU-ZDUSSCGKSA-N 0 0 274.330 3.429 20 10 CGCDRN COc1cc(CN(CC(C)(C)C)OC)c(O)cc1C ZINC000789517978 629141404 /nfs/dbraw/zinc/14/14/04/629141404.db2.gz ZVFOYHQORAVMKT-UHFFFAOYSA-N 0 0 267.369 3.119 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCSC1 ZINC000790486700 629212744 /nfs/dbraw/zinc/21/27/44/629212744.db2.gz ZHYVUQXEGVZHBT-MRVPVSSYSA-N 0 0 275.776 3.027 20 10 CGCDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)O ZINC000790701830 629225751 /nfs/dbraw/zinc/22/57/51/629225751.db2.gz OCIIXLKCTLRCQI-XPTSAGLGSA-N 0 0 287.350 3.117 20 10 CGCDRN CC(C)([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000790974824 629241377 /nfs/dbraw/zinc/24/13/77/629241377.db2.gz XLKRBZVWONQYCB-UHFFFAOYSA-N 0 0 257.736 3.463 20 10 CGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC000790972021 629244982 /nfs/dbraw/zinc/24/49/82/629244982.db2.gz BQIKKOJADRSJRZ-NEPJUHHUSA-N 0 0 287.762 3.088 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(F)c2C)cc1OC ZINC000862327071 629343854 /nfs/dbraw/zinc/34/38/54/629343854.db2.gz XPHQSMUEVRZOOL-UHFFFAOYSA-N 0 0 290.338 3.183 20 10 CGCDRN COc1ccc(CNC(=O)N[C@@H](C)CCC(C)C)c(O)c1 ZINC000792776261 629380646 /nfs/dbraw/zinc/38/06/46/629380646.db2.gz FPLVSWPVLIFYLR-LBPRGKRZSA-N 0 0 294.395 3.025 20 10 CGCDRN COc1ccc(N(C)CCCCCF)cc1OC ZINC000792863055 629387965 /nfs/dbraw/zinc/38/79/65/629387965.db2.gz QWPQCQYNQUTKMK-UHFFFAOYSA-N 0 0 255.333 3.280 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862754831 629429109 /nfs/dbraw/zinc/42/91/09/629429109.db2.gz LCYGXAOSOIGZLY-JSGCOSHPSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CC2(C)CCCC2)c1 ZINC000862755032 629429129 /nfs/dbraw/zinc/42/91/29/629429129.db2.gz AUJRQSWMJZACIO-UHFFFAOYSA-N 0 0 261.365 3.287 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000862755401 629430160 /nfs/dbraw/zinc/43/01/60/629430160.db2.gz SALLXGIIFQCBCR-MELADBBJSA-N 0 0 275.392 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2(c3ccccc3)CCC2)c1 ZINC000862759309 629430744 /nfs/dbraw/zinc/43/07/44/629430744.db2.gz CHXFUOHNOGMNGS-UHFFFAOYSA-N 0 0 295.382 3.439 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000862758519 629430900 /nfs/dbraw/zinc/43/09/00/629430900.db2.gz ARIWLMZAWRDGLY-AAEUAGOBSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000793227276 629431887 /nfs/dbraw/zinc/43/18/87/629431887.db2.gz AXVFAKPPAITRJT-NXEZZACHSA-N 0 0 284.197 3.446 20 10 CGCDRN Cc1ccc(NCc2ccccc2O)cc1NC(=O)N(C)C ZINC000793402464 629455887 /nfs/dbraw/zinc/45/58/87/629455887.db2.gz MUJFUNMMHIHGJL-UHFFFAOYSA-N 0 0 299.374 3.406 20 10 CGCDRN COc1ccc(CNC(=O)c2ccc(Cl)s2)c(O)c1 ZINC000794376534 629537944 /nfs/dbraw/zinc/53/79/44/629537944.db2.gz JBCMHPWQRCKJHC-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794842944 629586622 /nfs/dbraw/zinc/58/66/22/629586622.db2.gz UIDIHDMCFFTASC-IJLUTSLNSA-N 0 0 278.352 3.387 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC000794882169 629593833 /nfs/dbraw/zinc/59/38/33/629593833.db2.gz MJKQDPMWRCRDLA-CYBMUJFWSA-N 0 0 296.361 3.146 20 10 CGCDRN COc1ccc(OCCCN(C)c2ccc(N)cc2)cc1 ZINC000863557203 629605631 /nfs/dbraw/zinc/60/56/31/629605631.db2.gz JPCYJBNWZLFOJK-UHFFFAOYSA-N 0 0 286.375 3.183 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC12CC2 ZINC000875914009 634750532 /nfs/dbraw/zinc/75/05/32/634750532.db2.gz VZLXNWRJEZETKV-CQSZACIVSA-N 0 0 288.391 3.114 20 10 CGCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000836406064 634757506 /nfs/dbraw/zinc/75/75/06/634757506.db2.gz PJGUJWKYAUHHCM-GXFFZTMASA-N 0 0 299.365 3.157 20 10 CGCDRN CC(C)Nc1ccccc1NCc1cccc(C(N)=O)c1 ZINC000864041780 629735051 /nfs/dbraw/zinc/73/50/51/629735051.db2.gz QFKODLLQCFTYGK-UHFFFAOYSA-N 0 0 283.375 3.218 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccnc1OC)c1ccc(F)cc1[O-] ZINC000796691352 629816127 /nfs/dbraw/zinc/81/61/27/629816127.db2.gz BRJGGCRYZXCZAN-AWEZNQCLSA-N 0 0 290.338 3.176 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796696836 629816385 /nfs/dbraw/zinc/81/63/85/629816385.db2.gz VSQFUJJJKSPYDL-XJKSGUPXSA-N 0 0 294.414 3.304 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccccc1CO)c1ccc(F)cc1[O-] ZINC000796699855 629816790 /nfs/dbraw/zinc/81/67/90/629816790.db2.gz BCBUZCRWASSMFH-INIZCTEOSA-N 0 0 289.350 3.265 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)c1ccc(F)cc1[O-] ZINC000796794885 629836070 /nfs/dbraw/zinc/83/60/70/629836070.db2.gz XVZGMDNNPACNQH-AEGPPILISA-N 0 0 281.371 3.386 20 10 CGCDRN CC[C@@H]([NH2+]CCOC1CCC1)c1ccc(F)cc1[O-] ZINC000796889431 629853655 /nfs/dbraw/zinc/85/36/55/629853655.db2.gz OFHKPJTZHSWPIH-CQSZACIVSA-N 0 0 267.344 3.141 20 10 CGCDRN CC1(C)CC[C@@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864641159 629883554 /nfs/dbraw/zinc/88/35/54/629883554.db2.gz SXRNQCIPWREKDR-CQSZACIVSA-N 0 0 286.379 3.191 20 10 CGCDRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000797737840 629978821 /nfs/dbraw/zinc/97/88/21/629978821.db2.gz LAQLZZFUKPOXCW-KKXDTOCCSA-N 0 0 295.382 3.400 20 10 CGCDRN COc1cc(N(C)CC2CCCC2)cc(OC)c1OC ZINC000125733715 634780648 /nfs/dbraw/zinc/78/06/48/634780648.db2.gz MCBQJCSCBRFBOF-UHFFFAOYSA-N 0 0 279.380 3.339 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000798181474 630030616 /nfs/dbraw/zinc/03/06/16/630030616.db2.gz KLXRXLIBVLVXOX-VHSXEESVSA-N 0 0 291.313 3.223 20 10 CGCDRN Cc1ccc(O)c(CNc2nc(C3(C)CC3)ns2)c1 ZINC000865293760 630056951 /nfs/dbraw/zinc/05/69/51/630056951.db2.gz VPIFEUNNDRYMQZ-UHFFFAOYSA-N 0 0 275.377 3.216 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCCCC1CC1 ZINC000876173114 634796056 /nfs/dbraw/zinc/79/60/56/634796056.db2.gz OLAGLCCBZHNWGC-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)C(C)(F)F ZINC000876175938 634796062 /nfs/dbraw/zinc/79/60/62/634796062.db2.gz AQYBWDQTZMUVSE-UHFFFAOYSA-N 0 0 298.333 3.099 20 10 CGCDRN C[C@@H]1C[C@H](NC2(C(F)F)CC2)c2c1c(F)ccc2O ZINC000800502299 630289079 /nfs/dbraw/zinc/28/90/79/630289079.db2.gz RJWIYJXSDGZWHL-APPZFPTMSA-N 0 0 271.282 3.467 20 10 CGCDRN COc1cc(NCc2cccc(F)c2O)c(C)c(OC)c1 ZINC000800529208 630291025 /nfs/dbraw/zinc/29/10/25/630291025.db2.gz FANAPVKPTXUYQO-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC000800848024 630305024 /nfs/dbraw/zinc/30/50/24/630305024.db2.gz IJRRHYCPGBNICG-KBPBESRZSA-N 0 0 296.361 3.050 20 10 CGCDRN C[C@H](NC(=O)c1cc[nH]c1C1CC1)c1ccc(N(C)C)cc1 ZINC000803119835 630448564 /nfs/dbraw/zinc/44/85/64/630448564.db2.gz AHDCUKYGGLIUDI-LBPRGKRZSA-N 0 0 297.402 3.449 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2cn[nH]c2)cc1 ZINC000803253048 630458394 /nfs/dbraw/zinc/45/83/94/630458394.db2.gz KONGVCGNWISZOX-UHFFFAOYSA-N 0 0 295.342 3.174 20 10 CGCDRN O=C(/C=C\c1cccnc1)N1CCc2cc(Cl)ccc21 ZINC000804346579 630522320 /nfs/dbraw/zinc/52/23/20/630522320.db2.gz OJNDCCWNCRNLLZ-UTCJRWHESA-N 0 0 284.746 3.338 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H]1C ZINC000807556127 630593076 /nfs/dbraw/zinc/59/30/76/630593076.db2.gz IYINLLJGQHIKBF-BBRMVZONSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1c[nH+]ccc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000808089833 630622176 /nfs/dbraw/zinc/62/21/76/630622176.db2.gz LDFMVSWVGVAAPU-UHFFFAOYSA-N 0 0 283.158 3.436 20 10 CGCDRN CCC[N@H+](CCN1CCCC1)Cc1cccc(Cl)c1[O-] ZINC000809700219 630785808 /nfs/dbraw/zinc/78/58/08/630785808.db2.gz ANXGYVJVRXFCNL-UHFFFAOYSA-N 0 0 296.842 3.353 20 10 CGCDRN CCOC1CC([N@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809774695 630804230 /nfs/dbraw/zinc/80/42/30/630804230.db2.gz XGYVVXMSLMVNSZ-UHFFFAOYSA-N 0 0 287.762 3.184 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000810687188 630927735 /nfs/dbraw/zinc/92/77/35/630927735.db2.gz JTSVIPQGFBUJER-OCCSQVGLSA-N 0 0 292.448 3.073 20 10 CGCDRN CCc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1C ZINC000811186053 631040542 /nfs/dbraw/zinc/04/05/42/631040542.db2.gz AKCYHFWLIBFGRQ-ZDUSSCGKSA-N 0 0 299.418 3.145 20 10 CGCDRN CCN1C(=O)/C(=C\c2cc(F)ccc2OC)SC1=S ZINC000812240849 631231982 /nfs/dbraw/zinc/23/19/82/631231982.db2.gz URYPXQPEWSRAPF-YRNVUSSQSA-N 0 0 297.376 3.055 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)OC ZINC000812807769 631316745 /nfs/dbraw/zinc/31/67/45/631316745.db2.gz WPHHAZGMSLSUSF-SECBINFHSA-N 0 0 275.751 3.042 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000840277009 631339842 /nfs/dbraw/zinc/33/98/42/631339842.db2.gz PVFOVRNBSBZJJU-DZGCQCFKSA-N 0 0 288.391 3.018 20 10 CGCDRN O=C1/C(=C\c2ccc(F)c(F)c2)SC(=S)N1C1CC1 ZINC000814285289 631568701 /nfs/dbraw/zinc/56/87/01/631568701.db2.gz QJGDTFUQQKEUBV-IZZDOVSWSA-N 0 0 297.351 3.328 20 10 CGCDRN CCOc1ccc(N(C)CCC2(OC)CCC2)cc1 ZINC000815052129 631707386 /nfs/dbraw/zinc/70/73/86/631707386.db2.gz DHCGMBPJGBALIV-UHFFFAOYSA-N 0 0 263.381 3.481 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccon1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585270 631801102 /nfs/dbraw/zinc/80/11/02/631801102.db2.gz CCJTZZLQFVXZGH-MRVPVSSYSA-N 0 0 286.253 3.250 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000815629503 631809871 /nfs/dbraw/zinc/80/98/71/631809871.db2.gz FHXJRMMTIBBSJV-JLVBRIDZSA-N 0 0 286.419 3.113 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000815648013 631812457 /nfs/dbraw/zinc/81/24/57/631812457.db2.gz BROZZJWETGHGJR-JSGCOSHPSA-N 0 0 295.398 3.371 20 10 CGCDRN CC(C)O[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000815833247 631827215 /nfs/dbraw/zinc/82/72/15/631827215.db2.gz DWZVCPCCGPKMIF-KRWDZBQOSA-N 0 0 299.370 3.175 20 10 CGCDRN C[C@@H]1C[NH+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816513175 632000309 /nfs/dbraw/zinc/00/03/09/632000309.db2.gz IRXLRDMGNWSJTC-RKDXNWHRSA-N 0 0 257.736 3.273 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000816520687 632002901 /nfs/dbraw/zinc/00/29/01/632002901.db2.gz VPSSOJIKSDLCGT-IINYFYTJSA-N 0 0 299.773 3.186 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816538842 632006244 /nfs/dbraw/zinc/00/62/44/632006244.db2.gz JINBPQAAVZLJHQ-QMMMGPOBSA-N 0 0 257.736 3.320 20 10 CGCDRN CCC(CC)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552029 632008632 /nfs/dbraw/zinc/00/86/32/632008632.db2.gz YVPGTCFAOSBARX-CQSZACIVSA-N 0 0 289.778 3.071 20 10 CGCDRN Oc1cc(F)c(Cl)cc1CNc1ccc(F)nc1 ZINC000816564559 632012819 /nfs/dbraw/zinc/01/28/19/632012819.db2.gz JOJNZQBDNQVOAC-UHFFFAOYSA-N 0 0 270.666 3.331 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCOC1 ZINC000816566013 632015194 /nfs/dbraw/zinc/01/51/94/632015194.db2.gz IUURDUYQBJYOEL-VHSXEESVSA-N 0 0 287.762 3.089 20 10 CGCDRN Oc1c(CN2CCO[C@@H](C(F)F)C2)ccc2ccccc21 ZINC000816600330 632021274 /nfs/dbraw/zinc/02/12/74/632021274.db2.gz TVWSRSCRDXMWRA-CQSZACIVSA-N 0 0 293.313 3.011 20 10 CGCDRN CC1=CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816598935 632021986 /nfs/dbraw/zinc/02/19/86/632021986.db2.gz VYUYMNMCAWAIRO-UHFFFAOYSA-N 0 0 255.720 3.337 20 10 CGCDRN CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612565 632023329 /nfs/dbraw/zinc/02/33/29/632023329.db2.gz SFWLHSSEDFTVAC-NSHDSACASA-N 0 0 289.778 3.024 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000816630844 632025817 /nfs/dbraw/zinc/02/58/17/632025817.db2.gz UMHVDUFQVQVUAI-ZDUSSCGKSA-N 0 0 299.773 3.064 20 10 CGCDRN CC[C@H]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000817216909 632095543 /nfs/dbraw/zinc/09/55/43/632095543.db2.gz YRNYHEBPUMRRHQ-JXBRYCOSSA-N 0 0 289.375 3.196 20 10 CGCDRN CCCN(Cc1nn(C)cc1Cl)Cc1ccccc1O ZINC000817274922 632111927 /nfs/dbraw/zinc/11/19/27/632111927.db2.gz SMZCQUHBZYGYMB-UHFFFAOYSA-N 0 0 293.798 3.191 20 10 CGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc(C)n1 ZINC000817411555 632142704 /nfs/dbraw/zinc/14/27/04/632142704.db2.gz SDQWQRGQVHSEAX-UHFFFAOYSA-N 0 0 294.757 3.486 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000817415458 632145689 /nfs/dbraw/zinc/14/56/89/632145689.db2.gz TUNUIECUMKSWSQ-VXGBXAGGSA-N 0 0 287.762 3.232 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC12CC2 ZINC000817515523 632180114 /nfs/dbraw/zinc/18/01/14/632180114.db2.gz LVDBVBWSXACMHA-KRWDZBQOSA-N 0 0 298.430 3.435 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC23CC3)cc1F ZINC000817531367 632180515 /nfs/dbraw/zinc/18/05/15/632180515.db2.gz NPZPXIHWCSXUGT-CYBMUJFWSA-N 0 0 290.382 3.088 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CC2 ZINC000817602494 632194224 /nfs/dbraw/zinc/19/42/24/632194224.db2.gz ZVSJJKMOXCQKMA-CQSZACIVSA-N 0 0 273.376 3.321 20 10 CGCDRN CCc1cc(NC/C=C/c2ccc(N(C)C)cc2)nn1C ZINC000817710899 632204567 /nfs/dbraw/zinc/20/45/67/632204567.db2.gz STRWAHIEMRPPLW-VOTSOKGWSA-N 0 0 284.407 3.174 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C2CC2)n1 ZINC000817772620 632224491 /nfs/dbraw/zinc/22/44/91/632224491.db2.gz DEZHGAQCMUSAQS-UITAMQMPSA-N 0 0 296.326 3.022 20 10 CGCDRN CC[C@H](N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817945213 632241636 /nfs/dbraw/zinc/24/16/36/632241636.db2.gz XGGXQGKPIQQCHE-KWQFWETISA-N 0 0 289.206 3.102 20 10 CGCDRN CC[NH2+]CCN[C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817951173 632247657 /nfs/dbraw/zinc/24/76/57/632247657.db2.gz AJZFZXARYLOAKQ-LBPRGKRZSA-N 0 0 291.222 3.349 20 10 CGCDRN CC[NH2+]CCN[C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817951172 632248083 /nfs/dbraw/zinc/24/80/83/632248083.db2.gz AJZFZXARYLOAKQ-GFCCVEGCSA-N 0 0 291.222 3.349 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817960746 632255959 /nfs/dbraw/zinc/25/59/59/632255959.db2.gz QYQCWMGZYZLLRM-KRTXAFLBSA-N 0 0 289.206 3.087 20 10 CGCDRN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631548 632343971 /nfs/dbraw/zinc/34/39/71/632343971.db2.gz IXOGQOBYRJOQMK-ZANVPECISA-N 0 0 297.782 3.039 20 10 CGCDRN CCN(CC(C)=O)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000820423450 632624037 /nfs/dbraw/zinc/62/40/37/632624037.db2.gz FTXGFPFFSWLOBV-UHFFFAOYSA-N 0 0 298.386 3.145 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2C=CCC2)C2CC2)cc1 ZINC000821093187 632726485 /nfs/dbraw/zinc/72/64/85/632726485.db2.gz VISUCZDCAOONOQ-OAHLLOKOSA-N 0 0 299.418 3.145 20 10 CGCDRN CC(C)C(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822297430 632897571 /nfs/dbraw/zinc/89/75/71/632897571.db2.gz USPMIJXSSFPEIC-UHFFFAOYSA-N 0 0 290.367 3.261 20 10 CGCDRN CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000865872926 632933426 /nfs/dbraw/zinc/93/34/26/632933426.db2.gz WPFMJUVYFUWTMK-RCFWFJCLSA-N 0 0 296.418 3.087 20 10 CGCDRN CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000865872925 632933721 /nfs/dbraw/zinc/93/37/21/632933721.db2.gz WPFMJUVYFUWTMK-NJELEJDNSA-N 0 0 296.418 3.087 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1=CCCC1 ZINC000823094874 633058446 /nfs/dbraw/zinc/05/84/46/633058446.db2.gz UHTYHFYXVNRFQB-UHFFFAOYSA-N 0 0 288.391 3.424 20 10 CGCDRN CC(F)(F)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823223172 633076689 /nfs/dbraw/zinc/07/66/89/633076689.db2.gz PDTKJMIEICLHHW-UHFFFAOYSA-N 0 0 298.293 3.014 20 10 CGCDRN C[C@H](c1ccco1)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000823283080 633086154 /nfs/dbraw/zinc/08/61/54/633086154.db2.gz KVGROBXVLOIKGX-SECBINFHSA-N 0 0 277.345 3.413 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866401699 633123568 /nfs/dbraw/zinc/12/35/68/633123568.db2.gz DSABMEAIDYMOAM-GHMZBOCLSA-N 0 0 296.392 3.094 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866411397 633127149 /nfs/dbraw/zinc/12/71/49/633127149.db2.gz KVVPQPGOEPKKNR-YGRLFVJLSA-N 0 0 276.336 3.284 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC23CC3)c1 ZINC000866411124 633127290 /nfs/dbraw/zinc/12/72/90/633127290.db2.gz CWOCLKKBKVRYKG-NHYWBVRUSA-N 0 0 289.375 3.162 20 10 CGCDRN C[C@H](Nc1cnn2c1CCCC2)c1cc(F)ccc1O ZINC000866461421 633144527 /nfs/dbraw/zinc/14/45/27/633144527.db2.gz QJNAVTYXUQMMKR-JTQLQIEISA-N 0 0 275.327 3.237 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866481391 633154839 /nfs/dbraw/zinc/15/48/39/633154839.db2.gz QZHOBMQBTYXQDK-PWSUYJOCSA-N 0 0 296.392 3.237 20 10 CGCDRN CC[C@H]([NH2+]CCC(C)(C)OC)c1ccc(F)cc1[O-] ZINC000866505997 633166070 /nfs/dbraw/zinc/16/60/70/633166070.db2.gz YTXLEEBTWRNXIE-ZDUSSCGKSA-N 0 0 269.360 3.387 20 10 CGCDRN C[C@@H]1c2ccsc2CCN1C(=O)C1=CC(=O)CS1 ZINC000824230755 633213932 /nfs/dbraw/zinc/21/39/32/633213932.db2.gz AREUOLQSTFZRSA-MRVPVSSYSA-N 0 0 279.386 3.275 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(F)cc(F)c1[O-] ZINC000866634935 633223598 /nfs/dbraw/zinc/22/35/98/633223598.db2.gz VWDFWBOVVQWTSN-ZANVPECISA-N 0 0 293.317 3.053 20 10 CGCDRN c1cn2c(n1)[C@H](NCc1ccc(N3CCCCC3)cc1)CC2 ZINC000824521113 633253027 /nfs/dbraw/zinc/25/30/27/633253027.db2.gz FXUKXBVPHGJBFZ-QGZVFWFLSA-N 0 0 296.418 3.108 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824750490 633283209 /nfs/dbraw/zinc/28/32/09/633283209.db2.gz LKQIJGVQCOMPHL-GFCCVEGCSA-N 0 0 295.810 3.485 20 10 CGCDRN CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825005401 633316629 /nfs/dbraw/zinc/31/66/29/633316629.db2.gz JNAJYFQHMCVCEN-SECBINFHSA-N 0 0 297.761 3.252 20 10 CGCDRN CCn1ccnc1[C@H](C)NCc1c(O)cccc1Cl ZINC000825005344 633316947 /nfs/dbraw/zinc/31/69/47/633316947.db2.gz HXQGHKRGRBAXQH-JTQLQIEISA-N 0 0 279.771 3.113 20 10 CGCDRN CCCc1ncc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000825086149 633326769 /nfs/dbraw/zinc/32/67/69/633326769.db2.gz PZLGCPGYBXJGMF-UHFFFAOYSA-N 0 0 298.745 3.415 20 10 CGCDRN CC1CCC(C)(NC(=O)C2=CC(=O)CS2)CC1 ZINC000825114401 633329905 /nfs/dbraw/zinc/32/99/05/633329905.db2.gz QEDLXWUKGOGTRJ-UHFFFAOYSA-N 0 0 253.367 3.152 20 10 CGCDRN Cc1c(NCc2cc(Cl)c(C)cc2O)cnn1C ZINC000825406287 633352780 /nfs/dbraw/zinc/35/27/80/633352780.db2.gz QQYAEXXNFVUKFR-UHFFFAOYSA-N 0 0 265.744 3.008 20 10 CGCDRN CCc1nn(C)cc1NCc1cc(Cl)c(C)cc1O ZINC000825405485 633352980 /nfs/dbraw/zinc/35/29/80/633352980.db2.gz HIGNJLAEOIDZHN-UHFFFAOYSA-N 0 0 279.771 3.262 20 10 CGCDRN CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868784779 633363105 /nfs/dbraw/zinc/36/31/05/633363105.db2.gz ZTZOEJHVIBGNDN-ABAIWWIYSA-N 0 0 276.380 3.187 20 10 CGCDRN Cc1cc(CC(=O)N[C@@H]2C[C@H]2C)c(C)n1-c1ccccc1 ZINC000825731009 633377489 /nfs/dbraw/zinc/37/74/89/633377489.db2.gz BVOCXBFOLRAANN-SJKOYZFVSA-N 0 0 282.387 3.161 20 10 CGCDRN Cc1cc(O)c(CNC(C)(C)C(F)F)cc1Cl ZINC000825738219 633379248 /nfs/dbraw/zinc/37/92/48/633379248.db2.gz KPSCOYXKAPGYEL-UHFFFAOYSA-N 0 0 263.715 3.487 20 10 CGCDRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1c(O)ccc2c1CCCC2 ZINC000826137625 633407862 /nfs/dbraw/zinc/40/78/62/633407862.db2.gz VBLSOAGXMJFTGQ-YCPHGPKFSA-N 0 0 299.414 3.323 20 10 CGCDRN CC(C)CC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000826933553 633444731 /nfs/dbraw/zinc/44/47/31/633444731.db2.gz ZWQSOKUGEFQWHE-UHFFFAOYSA-N 0 0 295.354 3.135 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cscn1 ZINC000826973884 633446427 /nfs/dbraw/zinc/44/64/27/633446427.db2.gz XTWVRAQASFDAFP-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN CC1(C)OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827706003 633511288 /nfs/dbraw/zinc/51/12/88/633511288.db2.gz KBIRGSHRAPNMLQ-JTQLQIEISA-N 0 0 287.762 3.089 20 10 CGCDRN CC(C)c1nnc(N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000827937753 633537384 /nfs/dbraw/zinc/53/73/84/633537384.db2.gz AQFQWKJJHOICQA-LLVKDONJSA-N 0 0 274.368 3.432 20 10 CGCDRN C/C=C(/C=C\C(=O)N[C@H](C)c1ccccc1O)CC ZINC000827941624 633538127 /nfs/dbraw/zinc/53/81/27/633538127.db2.gz UBFSWXBEGMQHGW-WISVATJHSA-N 0 0 259.349 3.482 20 10 CGCDRN C[C@@H](NC(=O)C1(C(F)F)CCCC1)c1ccccc1O ZINC000827946279 633538156 /nfs/dbraw/zinc/53/81/56/633538156.db2.gz CIGWNMQWURBALQ-SNVBAGLBSA-N 0 0 283.318 3.395 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCc2cccc(O)c21)c1ccccc1O ZINC000827952438 633539531 /nfs/dbraw/zinc/53/95/31/633539531.db2.gz SDGBSLRFINYLQM-RISCZKNCSA-N 0 0 297.354 3.005 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)C1CCC1)c1ccccc1O ZINC000827952586 633539653 /nfs/dbraw/zinc/53/96/53/633539653.db2.gz YAZDDJGOUDKURY-LLVKDONJSA-N 0 0 261.365 3.396 20 10 CGCDRN CCO[C@H](C(=O)N[C@H](C)c1ccccc1O)C1CCCC1 ZINC000827956938 633540108 /nfs/dbraw/zinc/54/01/08/633540108.db2.gz QGMWXFQYBVYHLP-WBMJQRKESA-N 0 0 291.391 3.165 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964040 633541749 /nfs/dbraw/zinc/54/17/49/633541749.db2.gz GIVDTWULZFNDKS-SCRDCRAPSA-N 0 0 261.365 3.396 20 10 CGCDRN CC(C)c1scnc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964745 633542068 /nfs/dbraw/zinc/54/20/68/633542068.db2.gz TUDKTFSIFIICCN-JTQLQIEISA-N 0 0 290.388 3.463 20 10 CGCDRN C[C@H](NC(=O)CSC(C)(C)C)c1ccccc1O ZINC000827985745 633544870 /nfs/dbraw/zinc/54/48/70/633544870.db2.gz LXUZTUUDMMEHRM-JTQLQIEISA-N 0 0 267.394 3.101 20 10 CGCDRN Cc1cccc(OCCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871198846 633722844 /nfs/dbraw/zinc/72/28/44/633722844.db2.gz MFGHLIBRLLHMOF-UHFFFAOYSA-N 0 0 297.354 3.012 20 10 CGCDRN O=C(C1CCCCCC1)N1Cc2cccc(O)c2C1 ZINC000871200739 633723132 /nfs/dbraw/zinc/72/31/32/633723132.db2.gz HXXVQOGRPNHURF-UHFFFAOYSA-N 0 0 259.349 3.205 20 10 CGCDRN O=C(/C=C/C1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871203049 633723563 /nfs/dbraw/zinc/72/35/63/633723563.db2.gz QQWBYNSRNUBEOX-MDZDMXLPSA-N 0 0 271.360 3.371 20 10 CGCDRN CC(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1cccnc1 ZINC000871204564 633724505 /nfs/dbraw/zinc/72/45/05/633724505.db2.gz GLEJUGLJXBYRAN-KRWDZBQOSA-N 0 0 296.370 3.069 20 10 CGCDRN CC(C)c1scnc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204954 633725731 /nfs/dbraw/zinc/72/57/31/633725731.db2.gz MLYAONKQOGBABU-UHFFFAOYSA-N 0 0 288.372 3.128 20 10 CGCDRN O=C([C@H]1CCc2cc(F)ccc21)N1Cc2cccc(O)c2C1 ZINC000871206256 633726411 /nfs/dbraw/zinc/72/64/11/633726411.db2.gz XLCZFWWHHHMAQG-HNNXBMFYSA-N 0 0 297.329 3.104 20 10 CGCDRN CC1=CC[C@](C)(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000830140678 633831616 /nfs/dbraw/zinc/83/16/16/633831616.db2.gz GGYMHLAXEIUWFR-KRWDZBQOSA-N 0 0 273.376 3.487 20 10 CGCDRN CCc1nc(CNc2ccccc2NC(C)C)no1 ZINC000871846053 633890448 /nfs/dbraw/zinc/89/04/48/633890448.db2.gz PFTAABFOZWTZLU-UHFFFAOYSA-N 0 0 260.341 3.064 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)NCCC(C)(C)C ZINC000871845684 633890478 /nfs/dbraw/zinc/89/04/78/633890478.db2.gz HLUZFOVDFWFCGM-UHFFFAOYSA-N 0 0 291.439 3.471 20 10 CGCDRN CCCOc1ccc(C[NH2+]CCC[C@@H](C)C(=O)[O-])cc1C ZINC000871877178 633906777 /nfs/dbraw/zinc/90/67/77/633906777.db2.gz ABKFDXRFRBHBLR-CYBMUJFWSA-N 0 0 293.407 3.374 20 10 CGCDRN CCCC[C@](C)(F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000831925526 634014832 /nfs/dbraw/zinc/01/48/32/634014832.db2.gz YLBWMRBSFYSRDQ-BZNIZROVSA-N 0 0 297.370 3.063 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N1CCCCc2cccnc21 ZINC000872293516 634104351 /nfs/dbraw/zinc/10/43/51/634104351.db2.gz XJLRWRUIBZQJSE-MDZDMXLPSA-N 0 0 293.370 3.168 20 10 CGCDRN CCc1noc(CN(c2ccc(OC)c(F)c2)C(C)C)n1 ZINC000101567465 634199474 /nfs/dbraw/zinc/19/94/74/634199474.db2.gz ABXPNCUPJJUZSO-UHFFFAOYSA-N 0 0 293.342 3.195 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC12CCC2 ZINC000872842842 634215817 /nfs/dbraw/zinc/21/58/17/634215817.db2.gz BVLSSWLBGRXESG-MRXNPFEDSA-N 0 0 299.418 3.029 20 10 CGCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])ccn1 ZINC000834859643 634257875 /nfs/dbraw/zinc/25/78/75/634257875.db2.gz HBDXXHGBBJTSLE-JTQLQIEISA-N 0 0 278.302 3.225 20 10 CGCDRN CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1ccc(F)cc1[O-] ZINC000834882983 634265181 /nfs/dbraw/zinc/26/51/81/634265181.db2.gz WSVTZWGNCRJPOP-DZGCQCFKSA-N 0 0 269.360 3.387 20 10 CGCDRN CCc1nc(CN[C@H](C)c2cc(Cl)ccc2O)co1 ZINC000834898160 634274310 /nfs/dbraw/zinc/27/43/10/634274310.db2.gz JSCVAQJCZJJHOE-SECBINFHSA-N 0 0 280.755 3.447 20 10 CGCDRN CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000834897283 634274461 /nfs/dbraw/zinc/27/44/61/634274461.db2.gz ZNRCHWZKFYQEQG-QWRGUYRKSA-N 0 0 277.343 3.160 20 10 CGCDRN CCN(C)c1ccc([C@H](C)NCc2ncccc2OC)cc1 ZINC000834905441 634282203 /nfs/dbraw/zinc/28/22/03/634282203.db2.gz HLJISXMMYNZNSJ-AWEZNQCLSA-N 0 0 299.418 3.397 20 10 CGCDRN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(F)F ZINC000835055346 634339761 /nfs/dbraw/zinc/33/97/61/634339761.db2.gz UXWGMTWUYACJIK-GXMNPTEKSA-N 0 0 268.351 3.399 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2cn(C)nc2C2CC2)cc1 ZINC000835056919 634340284 /nfs/dbraw/zinc/34/02/84/634340284.db2.gz WUKMCRYGHDMDLO-SNAWJCMRSA-N 0 0 296.418 3.489 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2C2CC2)ccc(F)c1F ZINC000876689365 634881648 /nfs/dbraw/zinc/88/16/48/634881648.db2.gz CKKCZVRKEIDGBV-LBPRGKRZSA-N 0 0 253.292 3.045 20 10 CGCDRN COC1CCC([N@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876738210 634888412 /nfs/dbraw/zinc/88/84/12/634888412.db2.gz XSTANUZQTZJSDZ-UHFFFAOYSA-N 0 0 285.334 3.060 20 10 CGCDRN CNc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000876873813 634917574 /nfs/dbraw/zinc/91/75/74/634917574.db2.gz QXELXDGOXUYNPA-UHFFFAOYSA-N 0 0 297.402 3.067 20 10 CGCDRN C[C@H]1CC[C@@](C)(C(=O)NCc2ccc(O)c(O)c2)C1(C)C ZINC000837486274 634918633 /nfs/dbraw/zinc/91/86/33/634918633.db2.gz WTAIIQSSSOYZON-GTNSWQLSSA-N 0 0 291.391 3.176 20 10 CGCDRN [O-]c1c(C[NH2+]CCCOC2CCCC2)ccc(F)c1F ZINC000876990578 634945323 /nfs/dbraw/zinc/94/53/23/634945323.db2.gz IQRJQYUXMUOZJL-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN Clc1csc(CNCc2ccc3c(c2)CCO3)n1 ZINC000876996120 634946627 /nfs/dbraw/zinc/94/66/27/634946627.db2.gz PKCDKKFXNYSEKY-UHFFFAOYSA-N 0 0 280.780 3.021 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNCc1nc(Cl)cs1 ZINC000877030489 634955535 /nfs/dbraw/zinc/95/55/35/634955535.db2.gz DENANEPWKBCHHF-UHFFFAOYSA-N 0 0 295.839 3.461 20 10 CGCDRN C[C@@H](CN(C)C(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000877058976 634966705 /nfs/dbraw/zinc/96/67/05/634966705.db2.gz ICDOIMWRQCMUPG-AWEZNQCLSA-N 0 0 288.435 3.486 20 10 CGCDRN CC(C)CC1(C(=O)N(C)c2ccc(N)cc2)CCC1 ZINC000877077299 634974661 /nfs/dbraw/zinc/97/46/61/634974661.db2.gz BTTHIDMKJKWGEG-UHFFFAOYSA-N 0 0 260.381 3.448 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H](C3CCC3)CC2)cc1 ZINC000877223327 635014412 /nfs/dbraw/zinc/01/44/12/635014412.db2.gz DWZOTNKLPDDQGD-MRXNPFEDSA-N 0 0 286.419 3.240 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cccc3c2CN(C)C3=O)c(O)c1 ZINC000840857768 635066312 /nfs/dbraw/zinc/06/63/12/635066312.db2.gz UMXPDAYMZBDVDL-LBPRGKRZSA-N 0 0 296.370 3.459 20 10 CGCDRN CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000840860577 635067154 /nfs/dbraw/zinc/06/71/54/635067154.db2.gz VXIRKCTVHAKDEB-USBNGQNGSA-N 0 0 281.371 3.386 20 10 CGCDRN CCN(C)C(=O)c1cccc(NCc2ccc(C)cc2O)c1 ZINC000877523346 635070761 /nfs/dbraw/zinc/07/07/61/635070761.db2.gz IQDDLIZETSMKKZ-UHFFFAOYSA-N 0 0 298.386 3.405 20 10 CGCDRN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2csnn2)cc1 ZINC000840886261 635074247 /nfs/dbraw/zinc/07/42/47/635074247.db2.gz UBYIJSWGZQIZTM-RYUDHWBXSA-N 0 0 290.436 3.406 20 10 CGCDRN CCNC(=O)c1ccc(NCc2ccc(C)cc2O)c(C)c1 ZINC000877547974 635084454 /nfs/dbraw/zinc/08/44/54/635084454.db2.gz BHMCCFZXOZCDOV-UHFFFAOYSA-N 0 0 298.386 3.371 20 10 CGCDRN COC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccco1 ZINC000840935431 635084752 /nfs/dbraw/zinc/08/47/52/635084752.db2.gz PEIPXAPLDRMZCG-MRXNPFEDSA-N 0 0 288.391 3.131 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@H](C1CC1)C(F)(F)F ZINC000840945684 635089692 /nfs/dbraw/zinc/08/96/92/635089692.db2.gz UWLOOKUGBBVKPR-CQSZACIVSA-N 0 0 286.341 3.492 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CC1(F)F ZINC000840968250 635096075 /nfs/dbraw/zinc/09/60/75/635096075.db2.gz PNPJOIRFMOGTJJ-VXNVDRBHSA-N 0 0 261.699 3.179 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc([C@@H]3CCC(=O)N3)c2)c1 ZINC000840972009 635098342 /nfs/dbraw/zinc/09/83/42/635098342.db2.gz DUFBCFFIVIVECI-INIZCTEOSA-N 0 0 296.370 3.264 20 10 CGCDRN Nc1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000022172422 635098351 /nfs/dbraw/zinc/09/83/51/635098351.db2.gz SYPGBBKJUUJAFH-UHFFFAOYSA-N 0 0 292.338 3.440 20 10 CGCDRN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)cc1 ZINC000840996656 635101172 /nfs/dbraw/zinc/10/11/72/635101172.db2.gz GIRPNUHNUVSMOG-CQSZACIVSA-N 0 0 292.423 3.218 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2COCc3ccccc32)ccc(F)c1F ZINC000877592168 635104985 /nfs/dbraw/zinc/10/49/85/635104985.db2.gz FHMXNLHCAGHAHX-CQSZACIVSA-N 0 0 291.297 3.032 20 10 CGCDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297278 635148899 /nfs/dbraw/zinc/14/88/99/635148899.db2.gz OBGBPMYCLFMHDN-GZMMTYOYSA-N 0 0 287.285 3.073 20 10 CGCDRN Nc1ccc(NC(=O)NC23CCC(CC2)CC3)cc1 ZINC000841298232 635150043 /nfs/dbraw/zinc/15/00/43/635150043.db2.gz OPMNTRDZQBFUHW-UHFFFAOYSA-N 0 0 259.353 3.113 20 10 CGCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@H]1c1ccncc1 ZINC000841300622 635150127 /nfs/dbraw/zinc/15/01/27/635150127.db2.gz XUBVNIVJYNWJES-HNNXBMFYSA-N 0 0 296.374 3.279 20 10 CGCDRN CCc1ccccc1C(=O)N(C)Cc1ccccc1O ZINC000126713009 635194041 /nfs/dbraw/zinc/19/40/41/635194041.db2.gz FVSBRSFCYGXTGE-UHFFFAOYSA-N 0 0 269.344 3.227 20 10 CGCDRN CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744766 635221581 /nfs/dbraw/zinc/22/15/81/635221581.db2.gz SQXKTFJQSKXWBA-WCQYABFASA-N 0 0 282.815 3.181 20 10 CGCDRN C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841746399 635221721 /nfs/dbraw/zinc/22/17/21/635221721.db2.gz GEIWCRFEVJSKFD-NSHDSACASA-N 0 0 293.798 3.063 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841747942 635224172 /nfs/dbraw/zinc/22/41/72/635224172.db2.gz FSGMJMXXIOEKEL-CKYFFXLPSA-N 0 0 269.772 3.264 20 10 CGCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754868 635229015 /nfs/dbraw/zinc/22/90/15/635229015.db2.gz MWOWFAPDOWAZPS-NTZNESFSSA-N 0 0 285.815 3.493 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](CC2CCCC2)C(=O)[O-])cc1C ZINC000841805448 635237975 /nfs/dbraw/zinc/23/79/75/635237975.db2.gz ZXOAYRIGQHZMKA-HNNXBMFYSA-N 0 0 291.391 3.127 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000841891919 635249398 /nfs/dbraw/zinc/24/93/98/635249398.db2.gz WJBKCJGNXOEYAH-OAHLLOKOSA-N 0 0 289.762 3.407 20 10 CGCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962452 635253002 /nfs/dbraw/zinc/25/30/02/635253002.db2.gz QABVYLOTAXXZHG-BBRMVZONSA-N 0 0 289.423 3.031 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1OC ZINC000877996926 635312609 /nfs/dbraw/zinc/31/26/09/635312609.db2.gz YDZLRBNINMMUCA-AEGPPILISA-N 0 0 291.391 3.098 20 10 CGCDRN C=C/C=C/CCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000878129008 635371021 /nfs/dbraw/zinc/37/10/21/635371021.db2.gz JRUGGFWDOFUCSU-BQYQJAHWSA-N 0 0 277.364 3.281 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCO[C@H]2C)cc1Cl ZINC000878187399 635401473 /nfs/dbraw/zinc/40/14/73/635401473.db2.gz YMPPDOKMBORHJC-WDEREUQCSA-N 0 0 269.772 3.210 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCO2)c1cc2n(n1)CCCC2 ZINC000842837306 635490565 /nfs/dbraw/zinc/49/05/65/635490565.db2.gz ONNHEXVBFOLEHF-ZDUSSCGKSA-N 0 0 297.402 3.005 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000842928524 635515019 /nfs/dbraw/zinc/51/50/19/635515019.db2.gz JAJLRWCTOTYVIW-OIMNJJJWSA-N 0 0 289.375 3.018 20 10 CGCDRN CCCC[C@](C)(CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843425979 635670118 /nfs/dbraw/zinc/67/01/18/635670118.db2.gz LWFFOKQDBWJMHH-CQSZACIVSA-N 0 0 271.788 3.076 20 10 CGCDRN C[C@H](N[C@@H](C(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000879649643 635826587 /nfs/dbraw/zinc/82/65/87/635826587.db2.gz AHWGMXOJZVEVCB-XHDPSFHLSA-N 0 0 291.391 3.163 20 10 CGCDRN C[C@@H](N[C@@H](C)c1ccccc1O)c1nc(C2CC2)no1 ZINC000879651736 635828592 /nfs/dbraw/zinc/82/85/92/635828592.db2.gz IUZCFWKHDWOGBT-VHSXEESVSA-N 0 0 273.336 3.064 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C(C)(C)C)no2)cc1 ZINC000844353698 635878312 /nfs/dbraw/zinc/87/83/12/635878312.db2.gz VUBJLAKETZYYSN-UHFFFAOYSA-N 0 0 275.352 3.012 20 10 CGCDRN CCc1ccncc1NCc1ccc(N2CCOCC2)cc1 ZINC000844705071 635956027 /nfs/dbraw/zinc/95/60/27/635956027.db2.gz GGPDQOMPPPWLET-UHFFFAOYSA-N 0 0 297.402 3.093 20 10 CGCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cc(Cl)ccc1O ZINC000880540025 636018070 /nfs/dbraw/zinc/01/80/70/636018070.db2.gz PGSOFCLPXWHACI-GWCFXTLKSA-N 0 0 279.767 3.098 20 10 CGCDRN CCC(C)(C)CCn1cc(COc2ccc(N)cc2)nn1 ZINC000881295807 636094996 /nfs/dbraw/zinc/09/49/96/636094996.db2.gz DYJHKBCZFRKQBA-UHFFFAOYSA-N 0 0 288.395 3.266 20 10 CGCDRN Cc1oncc1CN(Cc1ccco1)Cc1ccccc1O ZINC000129060815 636124509 /nfs/dbraw/zinc/12/45/09/636124509.db2.gz WLFBXLNZFABJIQ-UHFFFAOYSA-N 0 0 298.342 3.484 20 10 CGCDRN COc1ccc(N(C)Cc2nc3c(s2)CCC3)cc1 ZINC000845998299 636127919 /nfs/dbraw/zinc/12/79/19/636127919.db2.gz LAOMJSCKAICZMA-UHFFFAOYSA-N 0 0 274.389 3.277 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000846186746 636156264 /nfs/dbraw/zinc/15/62/64/636156264.db2.gz FTJPVROQYJDRDB-GTNSWQLSSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000846208620 636158705 /nfs/dbraw/zinc/15/87/05/636158705.db2.gz JXTDEDBAIDYCHQ-HTQZYQBOSA-N 0 0 296.169 3.070 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnsn1 ZINC000846823424 636252153 /nfs/dbraw/zinc/25/21/53/636252153.db2.gz NXAIICUOLPTNER-UHFFFAOYSA-N 0 0 297.330 3.092 20 10 CGCDRN COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882877740 636443681 /nfs/dbraw/zinc/44/36/81/636443681.db2.gz CGOYSXUNFUSYCV-UHFFFAOYSA-N 0 0 293.313 3.011 20 10 CGCDRN CCOCCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883048564 636521257 /nfs/dbraw/zinc/52/12/57/636521257.db2.gz QXCZVGUMHUBJGJ-UHFFFAOYSA-N 0 0 299.361 3.357 20 10 CGCDRN Cc1cnc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(C)c1 ZINC000848560025 636605539 /nfs/dbraw/zinc/60/55/39/636605539.db2.gz JEMVZKVDVWPEHH-ZDUSSCGKSA-N 0 0 288.366 3.436 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccns1)c1cc(F)cc(F)c1[O-] ZINC000883247462 636615773 /nfs/dbraw/zinc/61/57/73/636615773.db2.gz KVRCYXZAMUUUKE-MRVPVSSYSA-N 0 0 284.331 3.020 20 10 CGCDRN CCc1cccc(CN[C@H](C2CC2)C(F)(F)F)c1O ZINC000848912592 636687590 /nfs/dbraw/zinc/68/75/90/636687590.db2.gz SREBSMWJXVCKAP-CYBMUJFWSA-N 0 0 273.298 3.385 20 10 CGCDRN CCc1cccc(CN2C[C@@H](CO)Cc3ccccc32)c1O ZINC000848913416 636687758 /nfs/dbraw/zinc/68/77/58/636687758.db2.gz WHHDKTMZZLVVPI-AWEZNQCLSA-N 0 0 297.398 3.126 20 10 CGCDRN COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(F)c1[O-] ZINC000848926498 636698991 /nfs/dbraw/zinc/69/89/91/636698991.db2.gz RBTOZRWCLGFQFP-GFCCVEGCSA-N 0 0 269.360 3.072 20 10 CGCDRN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000883380785 636722659 /nfs/dbraw/zinc/72/26/59/636722659.db2.gz AJLMFRYNVOBEPR-SNVBAGLBSA-N 0 0 297.345 3.280 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCC2(COC2)CC1 ZINC000883389795 636733212 /nfs/dbraw/zinc/73/32/12/636733212.db2.gz YLLZNEFNGNJBQD-UHFFFAOYSA-N 0 0 299.773 3.234 20 10 CGCDRN Cc1ccc(O)c(CNc2nc(CC(C)C)ns2)c1 ZINC000849347589 636817911 /nfs/dbraw/zinc/81/79/11/636817911.db2.gz QAQSUMRSZRPERX-UHFFFAOYSA-N 0 0 277.393 3.363 20 10 CGCDRN c1csc(SCc2noc3c2CCCC3)n1 ZINC000108662510 636828491 /nfs/dbraw/zinc/82/84/91/636828491.db2.gz AFRXJSKUXGWJEK-UHFFFAOYSA-N 0 0 252.364 3.302 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCC1CCC1 ZINC000849745629 636862778 /nfs/dbraw/zinc/86/27/78/636862778.db2.gz WLKUBUCIBUYSPT-CLFYSBASSA-N 0 0 276.332 3.235 20 10 CGCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)C1CCOCC1 ZINC000850002142 636925946 /nfs/dbraw/zinc/92/59/46/636925946.db2.gz UPCHUIWPVXQKHG-SSDOTTSWSA-N 0 0 291.825 3.273 20 10 CGCDRN O=C(CCCc1ccccc1)NCc1ccccc1O ZINC000133755167 636972832 /nfs/dbraw/zinc/97/28/32/636972832.db2.gz LBHVULLTPLGSOM-UHFFFAOYSA-N 0 0 269.344 3.031 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc2ccccc2c1 ZINC000133783162 636976433 /nfs/dbraw/zinc/97/64/33/636976433.db2.gz KBNFQVRMFLQRAD-UHFFFAOYSA-N 0 0 277.323 3.475 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(F)cc1Cl ZINC000133777596 636977001 /nfs/dbraw/zinc/97/70/01/636977001.db2.gz QJJIBBQXDWEDKE-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN COCCCOc1ccccc1NCc1nc(C)c(C)[nH]1 ZINC000850208486 636984643 /nfs/dbraw/zinc/98/46/43/636984643.db2.gz PKGQONLRIMMNQC-UHFFFAOYSA-N 0 0 289.379 3.054 20 10 CGCDRN CCn1ccc(NC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000850364130 637030072 /nfs/dbraw/zinc/03/00/72/637030072.db2.gz YQYFKTCZUJDRNZ-WAYWQWQTSA-N 0 0 270.380 3.094 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000850492279 637090189 /nfs/dbraw/zinc/09/01/89/637090189.db2.gz CIPWBTHRDTZDEM-ZYHUDNBSSA-N 0 0 298.377 3.194 20 10 CGCDRN CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499109 637091690 /nfs/dbraw/zinc/09/16/90/637091690.db2.gz JNTOUDJHDXKWGV-VBNZEHGJSA-N 0 0 299.422 3.091 20 10 CGCDRN COc1cccc(OC)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850505123 637093303 /nfs/dbraw/zinc/09/33/03/637093303.db2.gz NDGWQGVJRHDLBK-CQSZACIVSA-N 0 0 299.370 3.187 20 10 CGCDRN C[C@@H]([NH2+]CCCc1ccco1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850569474 637127855 /nfs/dbraw/zinc/12/78/55/637127855.db2.gz FTEGYIWUKUWGGX-LLVKDONJSA-N 0 0 290.319 3.177 20 10 CGCDRN CN(C[C@H]1CCc2ccccc21)C(=O)Nc1ccc(N)cc1 ZINC000850749157 637144009 /nfs/dbraw/zinc/14/40/09/637144009.db2.gz BOKNBORKRGXQED-CQSZACIVSA-N 0 0 295.386 3.463 20 10 CGCDRN CN(C[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(N)cc1 ZINC000850749156 637144402 /nfs/dbraw/zinc/14/44/02/637144402.db2.gz BOKNBORKRGXQED-AWEZNQCLSA-N 0 0 295.386 3.463 20 10 CGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)cc(C)c1F ZINC000136462197 637353938 /nfs/dbraw/zinc/35/39/38/637353938.db2.gz CCTPSBYQHXHJOR-UHFFFAOYSA-N 0 0 287.334 3.420 20 10 CGCDRN CCn1nc(C)c(C[NH2+][C@H](C)c2c([O-])cccc2F)c1C ZINC000886520956 637551344 /nfs/dbraw/zinc/55/13/44/637551344.db2.gz QRJQISHTIOHIEB-LLVKDONJSA-N 0 0 291.370 3.215 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886526725 637553852 /nfs/dbraw/zinc/55/38/52/637553852.db2.gz RGWWSEYOFYBHMG-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1c([O-])cccc1F ZINC000886531219 637556302 /nfs/dbraw/zinc/55/63/02/637556302.db2.gz YCWXPYROKYYEIF-MEBBXXQBSA-N 0 0 295.379 3.151 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886548141 637575940 /nfs/dbraw/zinc/57/59/40/637575940.db2.gz XWKSKYNKICCJJX-QMTHXVAHSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H](Nc1cnn(CC2CC2)c1)c1c(O)cccc1F ZINC000886578038 637588742 /nfs/dbraw/zinc/58/87/42/637588742.db2.gz HBWURBGGAQYBTB-SNVBAGLBSA-N 0 0 275.327 3.311 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886618981 637611142 /nfs/dbraw/zinc/61/11/42/637611142.db2.gz PRQUVCNSVTVQSV-JTQLQIEISA-N 0 0 280.368 3.190 20 10 CGCDRN C[C@@H](N[C@@H](C)c1cscn1)c1c(O)cccc1F ZINC000886636905 637622727 /nfs/dbraw/zinc/62/27/27/637622727.db2.gz XQVZEOZARYXSGL-DTWKUNHWSA-N 0 0 266.341 3.400 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCS1)c1c([O-])cccc1F ZINC000886646562 637627101 /nfs/dbraw/zinc/62/71/01/637627101.db2.gz MUBQIJYFCLPINQ-QWRGUYRKSA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000852597374 637685522 /nfs/dbraw/zinc/68/55/22/637685522.db2.gz QVWMTKLPXYYFMQ-MRXNPFEDSA-N 0 0 289.423 3.083 20 10 CGCDRN CCCc1nccnc1NCc1cc(C)c(C)cc1O ZINC000853028757 637738559 /nfs/dbraw/zinc/73/85/59/637738559.db2.gz MPSDUVFVZKCZCZ-UHFFFAOYSA-N 0 0 271.364 3.364 20 10 CGCDRN C[C@@H]([NH2+]CCOCCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000853238463 637789698 /nfs/dbraw/zinc/78/96/98/637789698.db2.gz JOWICXPQNFVLPZ-MRVPVSSYSA-N 0 0 296.169 3.336 20 10 CGCDRN CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000887370307 637807500 /nfs/dbraw/zinc/80/75/00/637807500.db2.gz NLXGUBDOQSQUHU-UHFFFAOYSA-N 0 0 288.351 3.015 20 10 CGCDRN Cc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000853484250 637853199 /nfs/dbraw/zinc/85/31/99/637853199.db2.gz DFIBJBPDEWPJRW-GFCCVEGCSA-N 0 0 256.353 3.024 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000111398336 637861518 /nfs/dbraw/zinc/86/15/18/637861518.db2.gz GKVMJNPBGWEZDG-BBRMVZONSA-N 0 0 298.342 3.194 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(C1CCC1)C1CCC1 ZINC000854607857 638078086 /nfs/dbraw/zinc/07/80/86/638078086.db2.gz XDAAUHDRFJKSNN-UHFFFAOYSA-N 0 0 251.351 3.001 20 10 CGCDRN CCC(F)(F)CNCc1cc(Br)ccc1O ZINC000829300565 638215905 /nfs/dbraw/zinc/21/59/05/638215905.db2.gz MFTJUIQETLUZDB-UHFFFAOYSA-N 0 0 294.139 3.290 20 10 CGCDRN C[C@@H](NC(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000924404704 638340550 /nfs/dbraw/zinc/34/05/50/638340550.db2.gz HVWLTEMDMDVQRZ-QVHKTLOISA-N 0 0 288.391 3.189 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@H]2CCC[C@H](C)C2)c1 ZINC000114544381 638375673 /nfs/dbraw/zinc/37/56/73/638375673.db2.gz ISIZHNLGHWRFNJ-STQMWFEESA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCO2)c1cn2c(n1)CCCC2 ZINC000924900709 638422858 /nfs/dbraw/zinc/42/28/58/638422858.db2.gz NXDAGDXMXRQOEK-ZDUSSCGKSA-N 0 0 297.402 3.005 20 10 CGCDRN O=C(CCc1ccccc1)NCc1cc(Cl)ccc1O ZINC000857547170 638516150 /nfs/dbraw/zinc/51/61/50/638516150.db2.gz SSSQHHMCXMGVOL-UHFFFAOYSA-N 0 0 289.762 3.295 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccncc1Cl ZINC000857547704 638516763 /nfs/dbraw/zinc/51/67/63/638516763.db2.gz QIEAFAXDEWMGTJ-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN Cc1cccc(CNCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858102056 638628034 /nfs/dbraw/zinc/62/80/34/638628034.db2.gz PSZKASDMDMXLDR-UHFFFAOYSA-N 0 0 291.345 3.024 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CCC(C)C)c1 ZINC000858108872 638630155 /nfs/dbraw/zinc/63/01/55/638630155.db2.gz MMIIGYTVTVBUPY-CYBMUJFWSA-N 0 0 278.396 3.325 20 10 CGCDRN CN(C)c1ccc(CNc2nc(Cl)cs2)cc1 ZINC000858325277 638681902 /nfs/dbraw/zinc/68/19/02/638681902.db2.gz UCGGMVQEULWJMO-UHFFFAOYSA-N 0 0 267.785 3.475 20 10 CGCDRN C[C@H]([NH2+]CC1CC=CC1)c1cc(F)cc(F)c1[O-] ZINC000858463161 638725764 /nfs/dbraw/zinc/72/57/64/638725764.db2.gz KUIRQPQUDUNAEZ-VIFPVBQESA-N 0 0 253.292 3.287 20 10 CGCDRN Cc1cc(C)c([C@H](C)Nc2cnn(CCF)c2)c(O)c1 ZINC000858491803 638742596 /nfs/dbraw/zinc/74/25/96/638742596.db2.gz OEBSMWISMQNAIO-LBPRGKRZSA-N 0 0 277.343 3.348 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC2=CCCCC2)c1 ZINC000858499078 638744328 /nfs/dbraw/zinc/74/43/28/638744328.db2.gz BOTWSZIPMOLYHB-UHFFFAOYSA-N 0 0 274.364 3.000 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000927015298 638831840 /nfs/dbraw/zinc/83/18/40/638831840.db2.gz AOCOPCXETBAUMG-MEBBXXQBSA-N 0 0 285.334 3.280 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927032753 638833866 /nfs/dbraw/zinc/83/38/66/638833866.db2.gz OZZZRJOHANZBHD-GMTAPVOTSA-N 0 0 296.392 3.235 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC000927120499 638844829 /nfs/dbraw/zinc/84/48/29/638844829.db2.gz SUIQNFIHXDTKOL-NDGTYSDOSA-N 0 0 289.375 3.020 20 10 CGCDRN C/C=C(/C=C/C(=O)NCc1c(O)cccc1F)CC ZINC000928705812 638889354 /nfs/dbraw/zinc/88/93/54/638889354.db2.gz NMNOSTPLVWXGEX-NGOBVPNHSA-N 0 0 263.312 3.060 20 10 CGCDRN CCCCS[C@H](C)C(=O)NCc1c(O)cccc1F ZINC000928712663 638889638 /nfs/dbraw/zinc/88/96/38/638889638.db2.gz VOUPTZHXTJJRIX-SNVBAGLBSA-N 0 0 285.384 3.069 20 10 CGCDRN CC(C)c1nsc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000930092932 638973767 /nfs/dbraw/zinc/97/37/67/638973767.db2.gz FTGRSGYSSIEOKK-UHFFFAOYSA-N 0 0 291.376 3.027 20 10 CGCDRN CN(CCOC1CC1)c1ccc(-c2nccs2)cc1 ZINC000930710231 639057727 /nfs/dbraw/zinc/05/77/27/639057727.db2.gz ORIIQOKQPKMTQC-UHFFFAOYSA-N 0 0 274.389 3.425 20 10 CGCDRN CC(C)CCOC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000859043739 639063092 /nfs/dbraw/zinc/06/30/92/639063092.db2.gz ZIBAMZOIQQYXAN-UHFFFAOYSA-N 0 0 292.379 3.134 20 10 CGCDRN COC(=O)CCCCN(C)c1ccc(OC)c(Cl)c1 ZINC000859163060 639095789 /nfs/dbraw/zinc/09/57/89/639095789.db2.gz CPKNRBLZHOZRLC-UHFFFAOYSA-N 0 0 285.771 3.128 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000859593735 639170665 /nfs/dbraw/zinc/17/06/65/639170665.db2.gz KHMUCAVCNGABDY-IAGOWNOFSA-N 0 0 294.398 3.469 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCCC[C@H](C)C2)c1O ZINC000187514583 639695433 /nfs/dbraw/zinc/69/54/33/639695433.db2.gz VHHCOGSSPBWNEO-ZDUSSCGKSA-N 0 0 263.381 3.413 20 10 CGCDRN CCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000040976426 639898083 /nfs/dbraw/zinc/89/80/83/639898083.db2.gz NNQZIMJGJLIECD-VQHVLOKHSA-N 0 0 264.321 3.235 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1F ZINC000042117563 639912106 /nfs/dbraw/zinc/91/21/06/639912106.db2.gz PPWPRENQEYTSSA-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2C(C)(C)C2(C)C)c1 ZINC000074824661 640100159 /nfs/dbraw/zinc/10/01/59/640100159.db2.gz NXOAJELVFLMRPL-JTQLQIEISA-N 0 0 291.391 3.260 20 10 CGCDRN C[C@H](C1CC1)N(C(=O)CSc1nccs1)C1CC1 ZINC000077620092 640249017 /nfs/dbraw/zinc/24/90/17/640249017.db2.gz CTLIZZUMCWVGDR-SECBINFHSA-N 0 0 282.434 3.025 20 10 CGCDRN Cc1cccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000191568719 640318834 /nfs/dbraw/zinc/31/88/34/640318834.db2.gz FXQFUAWMFOEAKI-LLVKDONJSA-N 0 0 289.379 3.232 20 10 CGCDRN CC(C)C(CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000192636847 640391984 /nfs/dbraw/zinc/39/19/84/640391984.db2.gz CCXISSLDXCBRIC-SOFGYWHQSA-N 0 0 291.391 3.155 20 10 CGCDRN Cc1cc(F)cc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000079333420 640394048 /nfs/dbraw/zinc/39/40/48/640394048.db2.gz ABNHHAAHRQBGKY-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cncc(C)c2)cc1 ZINC000079629362 640418946 /nfs/dbraw/zinc/41/89/46/640418946.db2.gz OOUHNPQMRMXIEO-UHFFFAOYSA-N 0 0 297.402 3.166 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCc1ccnc(N)c1 ZINC000193074940 640430990 /nfs/dbraw/zinc/43/09/90/640430990.db2.gz HYQNUGATFWINPT-UHFFFAOYSA-N 0 0 296.399 3.357 20 10 CGCDRN CCCN(C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000195150005 640568068 /nfs/dbraw/zinc/56/80/68/640568068.db2.gz MPOUSVRRZVWXLL-UHFFFAOYSA-N 0 0 277.412 3.084 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1C ZINC000245711534 640633305 /nfs/dbraw/zinc/63/33/05/640633305.db2.gz NFPOWDZRDJISHD-AXTCKOSQSA-N 0 0 289.375 3.052 20 10 CGCDRN COc1ccc(N[C@@H](C)c2cc(F)ccc2O)cn1 ZINC000094616543 640798941 /nfs/dbraw/zinc/79/89/41/640798941.db2.gz XEOKCDLFEJGFRA-VIFPVBQESA-N 0 0 262.284 3.108 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccc(Cl)c(N)n2)cc1 ZINC001156926989 805755215 /nfs/dbraw/zinc/75/52/15/805755215.db2.gz GEGHDPKBVPTHAO-UHFFFAOYSA-N 0 0 290.798 3.020 20 10 CGCDRN CC(C)n1c2ccccc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248341 805871675 /nfs/dbraw/zinc/87/16/75/805871675.db2.gz MFGQRXIBVKZEHI-UHFFFAOYSA-N 0 0 284.315 3.401 20 10 CGCDRN Oc1ccc(CNc2ccc(-c3ccncc3)cn2)cc1O ZINC001158997379 806028685 /nfs/dbraw/zinc/02/86/85/806028685.db2.gz FQYCACMDDHCDTD-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN Oc1ccc(CNc2ccc(-c3ccsc3)nn2)cc1O ZINC001159006308 806030159 /nfs/dbraw/zinc/03/01/59/806030159.db2.gz ZROGAQAUQNLTNF-UHFFFAOYSA-N 0 0 299.355 3.228 20 10 CGCDRN CC(C)Oc1cc(Nc2ccc(N)cc2)c(F)cn1 ZINC001159486189 806111982 /nfs/dbraw/zinc/11/19/82/806111982.db2.gz ZEUAYRAMFZLDMY-UHFFFAOYSA-N 0 0 261.300 3.334 20 10 CGCDRN CCOc1cc(Nc2ccc(NC)cc2)c(F)cn1 ZINC001159829285 806181636 /nfs/dbraw/zinc/18/16/36/806181636.db2.gz RIGYSMRPGLXIQM-UHFFFAOYSA-N 0 0 261.300 3.405 20 10 CGCDRN Nc1ccc(Nc2cccc3ccc(=O)[nH]c32)cc1 ZINC001160323511 806257003 /nfs/dbraw/zinc/25/70/03/806257003.db2.gz QIJLYRIPRMNYMS-UHFFFAOYSA-N 0 0 251.289 3.266 20 10 CGCDRN Cc1cc(C)c(CNc2c(F)nc(F)nc2Cl)c(O)c1 ZINC001160810994 806305487 /nfs/dbraw/zinc/30/54/87/806305487.db2.gz BGGISIQODNMLCG-UHFFFAOYSA-N 0 0 299.708 3.343 20 10 CGCDRN CCOc1cccc(NCc2c(C)cc(C)cc2O)n1 ZINC001160810145 806305591 /nfs/dbraw/zinc/30/55/91/806305591.db2.gz KFJMPTPITMNUJG-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN Cc1cc(C)c(CNc2cnc3c(n2)CCCC3)c(O)c1 ZINC001160811205 806306345 /nfs/dbraw/zinc/30/63/45/806306345.db2.gz GOCUEFVWDJETQT-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN Oc1ccc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)cc1O ZINC001254511655 806429549 /nfs/dbraw/zinc/42/95/49/806429549.db2.gz DISCMQKYOYFTHN-STQMWFEESA-N 0 0 294.310 3.419 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc([C@H]4CCOC4)o3)cc2)c1 ZINC001255517704 806660155 /nfs/dbraw/zinc/66/01/55/806660155.db2.gz OHADLKNTBXCQOM-ZDUSSCGKSA-N 0 0 281.315 3.031 20 10 CGCDRN Cc1nc2cc(F)ccc2c(NCc2ccc(N)cc2)n1 ZINC001162784550 806664469 /nfs/dbraw/zinc/66/44/69/806664469.db2.gz QTXZZYBDKIWQTP-UHFFFAOYSA-N 0 0 282.322 3.272 20 10 CGCDRN Nc1ccc(CNc2nnc(Cl)c3ccccc32)cc1 ZINC001162784557 806664970 /nfs/dbraw/zinc/66/49/70/806664970.db2.gz QYDUFYCKTWATCK-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN CSc1cc(NCc2ccc(N)cc2)nc(SC)n1 ZINC001162791107 806667262 /nfs/dbraw/zinc/66/72/62/806667262.db2.gz ZPIIVLNCBQSDNI-UHFFFAOYSA-N 0 0 292.433 3.115 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000037004231 798855209 /nfs/dbraw/zinc/85/52/09/798855209.db2.gz VQZJOSPOQARMPN-OAHLLOKOSA-N 0 0 298.411 3.165 20 10 CGCDRN CCC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000037323090 798866174 /nfs/dbraw/zinc/86/61/74/798866174.db2.gz FMRLKPDKGMRACP-UHFFFAOYSA-N 0 0 265.328 3.108 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@@H](CC)c1ccccc1O)OC ZINC000394461650 799497121 /nfs/dbraw/zinc/49/71/21/799497121.db2.gz VRYMYPYQLULXOZ-DUVNUKRYSA-N 0 0 265.397 3.494 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403766816 799571497 /nfs/dbraw/zinc/57/14/97/799571497.db2.gz SKGPGENXAFSEIY-YUSALJHKSA-N 0 0 296.208 3.433 20 10 CGCDRN CC(C)CC[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403200 799689006 /nfs/dbraw/zinc/68/90/06/799689006.db2.gz BQMNTABROXGDCO-ZVTBTPLYSA-N 0 0 277.364 3.052 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(C1CC1)C1CCCC1 ZINC000588404141 799689201 /nfs/dbraw/zinc/68/92/01/799689201.db2.gz QJDXJBPAVMLJKS-POHAHGRESA-N 0 0 287.359 3.045 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406057 799689418 /nfs/dbraw/zinc/68/94/18/799689418.db2.gz BQQNKMMYIJWWGN-ZANYVSNCSA-N 0 0 289.375 3.054 20 10 CGCDRN COc1cc(Cl)cc(CN2CCOC(C)(C)[C@@H]2C)c1O ZINC000687954507 799740679 /nfs/dbraw/zinc/74/06/79/799740679.db2.gz RFZULALNTDVRJD-JTQLQIEISA-N 0 0 299.798 3.054 20 10 CGCDRN CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CO1 ZINC000688501670 799748676 /nfs/dbraw/zinc/74/86/76/799748676.db2.gz MIYDYKBJHIHDNY-QWRGUYRKSA-N 0 0 290.190 3.356 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(F)cc1[O-] ZINC000692696328 799796669 /nfs/dbraw/zinc/79/66/69/799796669.db2.gz OXHHRVRVCDOVMM-NWDGAFQWSA-N 0 0 274.339 3.381 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccccc1O ZINC000693072222 799805547 /nfs/dbraw/zinc/80/55/47/799805547.db2.gz DHANWPKHGZDAGU-OCCSQVGLSA-N 0 0 263.381 3.248 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1CCC2(CC2)CC1 ZINC000695578049 799828992 /nfs/dbraw/zinc/82/89/92/799828992.db2.gz VRUUILYLLJQSFB-UHFFFAOYSA-N 0 0 273.376 3.321 20 10 CGCDRN CCN(CC)c1ccc(CNc2nn(C)cc2C)cc1 ZINC000697685565 799848221 /nfs/dbraw/zinc/84/82/21/799848221.db2.gz XQWZMQSNUIMWRB-UHFFFAOYSA-N 0 0 272.396 3.187 20 10 CGCDRN CN(CC[C@H]1CC1(Cl)Cl)c1ccc(N)cc1 ZINC000702070120 799904140 /nfs/dbraw/zinc/90/41/40/799904140.db2.gz JZHJLLHKWZETNR-VIFPVBQESA-N 0 0 259.180 3.289 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CC1=CCCC1 ZINC000702388301 799909095 /nfs/dbraw/zinc/90/90/95/799909095.db2.gz RXFCJWFNSWRUDE-UHFFFAOYSA-N 0 0 282.181 3.355 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCCC(F)(F)C2)ccc(F)c1F ZINC000703365008 799923282 /nfs/dbraw/zinc/92/32/82/799923282.db2.gz FERYBMWKKGNMKD-VIFPVBQESA-N 0 0 277.261 3.338 20 10 CGCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000708550979 799992523 /nfs/dbraw/zinc/99/25/23/799992523.db2.gz ZMIVUPMPEXKBQS-UHFFFAOYSA-N 0 0 284.331 3.152 20 10 CGCDRN CC1(C)CO[C@H](CC[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000717370495 800200796 /nfs/dbraw/zinc/20/07/96/800200796.db2.gz DMYXACBZGZIHRI-GFCCVEGCSA-N 0 0 283.799 3.340 20 10 CGCDRN C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000725086474 800371751 /nfs/dbraw/zinc/37/17/51/800371751.db2.gz SEPYGQQOYMBZLE-IAQYHMDHSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1c([O-])cccc1F ZINC000886643446 800545963 /nfs/dbraw/zinc/54/59/63/800545963.db2.gz VSRIQHVPUFCLTK-GXTWGEPZSA-N 0 0 292.398 3.199 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(CCC(N)=O)cc2)c1 ZINC001116568720 802379352 /nfs/dbraw/zinc/37/93/52/802379352.db2.gz SUVJPSAGOBLTQV-CYBMUJFWSA-N 0 0 298.386 3.292 20 10 CGCDRN CC[C@@H](C(=O)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001182132570 810094469 /nfs/dbraw/zinc/09/44/69/810094469.db2.gz KDHOBIGPPZEDLM-MRXNPFEDSA-N 0 0 295.382 3.471 20 10 CGCDRN Cn1c(C2SC=CC2=O)nnc1N1CCCCCCC1 ZINC001121273743 802826408 /nfs/dbraw/zinc/82/64/08/802826408.db2.gz JMPPGGYVZIGSOQ-UHFFFAOYSA-N 0 0 292.408 3.020 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(Cl)[nH]1)c1ccc(N(C)C)cc1 ZINC001123692065 802963941 /nfs/dbraw/zinc/96/39/41/802963941.db2.gz NJRZHNOHGIOXAL-SNVBAGLBSA-N 0 0 291.782 3.225 20 10 CGCDRN O=C(NCc1cccc(O)c1O)/C(F)=C/C1CCCCC1 ZINC001123889239 802978704 /nfs/dbraw/zinc/97/87/04/802978704.db2.gz NWXMZJHDCIYTIP-LCYFTJDESA-N 0 0 293.338 3.148 20 10 CGCDRN CCn1cc(-c2ccc(-n3c(C)ccc3C)nc2)ccc1=O ZINC001243837815 803040783 /nfs/dbraw/zinc/04/07/83/803040783.db2.gz QCBKAFOTYAMEGR-UHFFFAOYSA-N 0 0 293.370 3.338 20 10 CGCDRN C[N@H+](Cc1cccs1)Cc1c([O-])cccc1F ZINC001137837302 803779277 /nfs/dbraw/zinc/77/92/77/803779277.db2.gz AMNPYGURHRXHSM-UHFFFAOYSA-N 0 0 251.326 3.225 20 10 CGCDRN Oc1cccc2c1CN(Cc1cc(F)c(F)cc1F)CC2 ZINC001137892177 803796416 /nfs/dbraw/zinc/79/64/16/803796416.db2.gz JNNNICIKTMIBKY-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN Oc1c(F)cccc1CN1CCc2nc(Cl)ccc2C1 ZINC001138127941 803863683 /nfs/dbraw/zinc/86/36/83/803863683.db2.gz XUEVXBFKMNEYQQ-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN Cc1c(CN2CCC(=O)C[C@@H]2C)c2ccccc2n1C ZINC001138252778 803881344 /nfs/dbraw/zinc/88/13/44/803881344.db2.gz USAOYFGWQHMZPJ-LBPRGKRZSA-N 0 0 270.376 3.040 20 10 CGCDRN CCN(CC)c1ccc(CN2CCC(F)(F)C2)c(OC)c1 ZINC001138388620 803912794 /nfs/dbraw/zinc/91/27/94/803912794.db2.gz ZIWCMUJCURXHKR-UHFFFAOYSA-N 0 0 298.377 3.382 20 10 CGCDRN CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)CC1 ZINC001138507897 803953878 /nfs/dbraw/zinc/95/38/78/803953878.db2.gz MSPTWHQLIOCROI-STQMWFEESA-N 0 0 291.391 3.433 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001139682652 804251520 /nfs/dbraw/zinc/25/15/20/804251520.db2.gz AOJNRVDUVCRIBB-SSDOTTSWSA-N 0 0 281.224 3.055 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2ncc(Cl)cc2C1 ZINC001140060053 804365467 /nfs/dbraw/zinc/36/54/67/804365467.db2.gz ITUGLTFVCWRMFK-UHFFFAOYSA-N 0 0 292.741 3.138 20 10 CGCDRN Cc1ccc(C)c(CN(C)Cc2cscn2)c1O ZINC001140184537 804399321 /nfs/dbraw/zinc/39/93/21/804399321.db2.gz YLKOSOISXQCJHJ-UHFFFAOYSA-N 0 0 262.378 3.098 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCC[C@H]1c1ncccn1 ZINC001140342359 804419356 /nfs/dbraw/zinc/41/93/56/804419356.db2.gz GCWRGWRKWSXJES-ZDUSSCGKSA-N 0 0 289.766 3.173 20 10 CGCDRN CCCCN(CC(=O)OCC)Cc1c(O)cccc1Cl ZINC001140341699 804420815 /nfs/dbraw/zinc/42/08/15/804420815.db2.gz CZWUMFUQKCZFLR-UHFFFAOYSA-N 0 0 299.798 3.211 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC[C@@]1(C)O ZINC001140461812 804441924 /nfs/dbraw/zinc/44/19/24/804441924.db2.gz ULKKUORVNYFEJL-XHDPSFHLSA-N 0 0 283.799 3.029 20 10 CGCDRN C[N@H+](Cc1ccsc1)Cc1c([O-])cc(F)cc1F ZINC001140583403 804466167 /nfs/dbraw/zinc/46/61/67/804466167.db2.gz FFXZZWUABBTFKU-UHFFFAOYSA-N 0 0 269.316 3.364 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(Cl)cc2F)no1 ZINC001212405119 815020713 /nfs/dbraw/zinc/02/07/13/815020713.db2.gz ILKFBJBXLYUTLQ-UHFFFAOYSA-N 0 0 296.714 3.356 20 10 CGCDRN Cc1c(O)ccc(CN2CCCC[C@H]2C(F)(F)F)c1O ZINC001140746000 804502924 /nfs/dbraw/zinc/50/29/24/804502924.db2.gz RZDQQESATQXEHF-LBPRGKRZSA-N 0 0 289.297 3.323 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(-c4ccno4)o3)cc2)c1 ZINC001256941403 807014166 /nfs/dbraw/zinc/01/41/66/807014166.db2.gz YJPWZGFKTMEITO-UHFFFAOYSA-N 0 0 278.271 3.182 20 10 CGCDRN CCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924149 804551333 /nfs/dbraw/zinc/55/13/33/804551333.db2.gz NAPFOLYVQKZGFN-HNNXBMFYSA-N 0 0 296.842 3.407 20 10 CGCDRN CC(=O)n1ncc2ccc(N(C)c3ccc(N)cc3)cc21 ZINC001212423325 815024287 /nfs/dbraw/zinc/02/42/87/815024287.db2.gz YMDCICOUOGIBCB-UHFFFAOYSA-N 0 0 280.331 3.047 20 10 CGCDRN C[C@H]1CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367866 804634403 /nfs/dbraw/zinc/63/44/03/804634403.db2.gz UUCWXQMULHKNCG-ZETCQYMHSA-N 0 0 290.588 3.402 20 10 CGCDRN O=C1CCN(Cc2cc(F)c(F)cc2O)[C@H]2CCCC[C@@H]12 ZINC001142508888 804727838 /nfs/dbraw/zinc/72/78/38/804727838.db2.gz OXHQIQBEYVOLRH-RISCZKNCSA-N 0 0 295.329 3.004 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC12CCCC2 ZINC001142508679 804728203 /nfs/dbraw/zinc/72/82/03/804728203.db2.gz HSHZDTNNKGGURK-UHFFFAOYSA-N 0 0 253.292 3.189 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C)n2)cc1 ZINC001247424957 804730838 /nfs/dbraw/zinc/73/08/38/804730838.db2.gz DCLHFLSIZVECPR-UHFFFAOYSA-N 0 0 253.305 3.453 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCCC1=O ZINC001143103960 804801142 /nfs/dbraw/zinc/80/11/42/804801142.db2.gz NVPHVAPDXRCPNR-CYBMUJFWSA-N 0 0 289.419 3.491 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc3cc[nH]c3n2)cc1 ZINC001144188431 804950501 /nfs/dbraw/zinc/95/05/01/804950501.db2.gz ZPZLPOXMPZYOTH-UHFFFAOYSA-N 0 0 294.402 3.261 20 10 CGCDRN Cc1cccc(O)c1Nc1ccncc1C(F)(F)F ZINC001249590310 805183825 /nfs/dbraw/zinc/18/38/25/805183825.db2.gz PYHXZJBSDCSIAP-UHFFFAOYSA-N 0 0 268.238 3.280 20 10 CGCDRN O=C(c1cc2[nH]ccc2s1)N1CCc2cccc(O)c2C1 ZINC001149860797 805246454 /nfs/dbraw/zinc/24/64/54/805246454.db2.gz FMYDBCUXJIMCCL-UHFFFAOYSA-N 0 0 298.367 3.134 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(C)nc(SC)n1 ZINC001154881040 805502090 /nfs/dbraw/zinc/50/20/90/805502090.db2.gz FPQXYDVVWWCQCC-UHFFFAOYSA-N 0 0 289.404 3.239 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(Cl)nc(C)n1 ZINC001154882015 805502133 /nfs/dbraw/zinc/50/21/33/805502133.db2.gz QNKNIEOERFAPNY-UHFFFAOYSA-N 0 0 277.755 3.171 20 10 CGCDRN CCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c(C)n1 ZINC001154889676 805505739 /nfs/dbraw/zinc/50/57/39/805505739.db2.gz DKISHPNOGFUYAJ-UHFFFAOYSA-N 0 0 287.319 3.030 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(C)c(F)cn1 ZINC001154889657 805505943 /nfs/dbraw/zinc/50/59/43/805505943.db2.gz CBBGPOVPOVQPCV-UHFFFAOYSA-N 0 0 260.312 3.261 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(C)nc(C2CC2)n1 ZINC001154890774 805506031 /nfs/dbraw/zinc/50/60/31/805506031.db2.gz NKSYWNNKVCAVFZ-UHFFFAOYSA-N 0 0 283.375 3.395 20 10 CGCDRN CCN(Cc1ccccc1O)c1nccc2nc(C)cnc21 ZINC001154890912 805506125 /nfs/dbraw/zinc/50/61/25/805506125.db2.gz VTRNAXRINVRVBE-UHFFFAOYSA-N 0 0 294.358 3.065 20 10 CGCDRN CCc1cc(CC)nc(N(CC)Cc2ccccc2O)n1 ZINC001154890904 805506152 /nfs/dbraw/zinc/50/61/52/805506152.db2.gz VJLABQPLRVTKFM-UHFFFAOYSA-N 0 0 285.391 3.334 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(C[C@@H]4CCOC4)o3)cc2)c1 ZINC001256961353 807017074 /nfs/dbraw/zinc/01/70/74/807017074.db2.gz ORDLDNSWIJJTEA-ZDUSSCGKSA-N 0 0 295.342 3.106 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NC2CC(=O)C2)cc1 ZINC001167341324 807184707 /nfs/dbraw/zinc/18/47/07/807184707.db2.gz SGDHRDFIQFTGKK-UHFFFAOYSA-N 0 0 254.333 3.238 20 10 CGCDRN Oc1ccc(/C=C/c2nnc(C3CCCC3)o2)cc1O ZINC001257532883 807194306 /nfs/dbraw/zinc/19/43/06/807194306.db2.gz WHZJGHWGQOIGTF-SOFGYWHQSA-N 0 0 272.304 3.309 20 10 CGCDRN Cc1cccnc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687176 815103433 /nfs/dbraw/zinc/10/34/33/815103433.db2.gz FYXZMHUEBXQAKF-UHFFFAOYSA-N 0 0 287.348 3.082 20 10 CGCDRN Oc1ccc(/C=C/c2nnc(CC3CCCC3)o2)cc1O ZINC001258634722 807519304 /nfs/dbraw/zinc/51/93/04/807519304.db2.gz HQCSXNHZZDTDHW-SOFGYWHQSA-N 0 0 286.331 3.384 20 10 CGCDRN CCCc1cc(Cl)nc(NCc2ccc(O)c(O)c2)n1 ZINC001169992702 807735018 /nfs/dbraw/zinc/73/50/18/807735018.db2.gz LBXXORKHKLXKJR-UHFFFAOYSA-N 0 0 293.754 3.106 20 10 CGCDRN CC(C)Cc1c[nH]c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001171722718 808125827 /nfs/dbraw/zinc/12/58/27/808125827.db2.gz BPNDUJUNIVTKHW-GFCCVEGCSA-N 0 0 286.375 3.410 20 10 CGCDRN CCc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001171723224 808126008 /nfs/dbraw/zinc/12/60/08/808126008.db2.gz OZFRNYDNCFSSDL-LBPRGKRZSA-N 0 0 269.344 3.446 20 10 CGCDRN Nc1ccc(Cc2ccccc2Nc2cn[nH]c2)cc1 ZINC001174297778 808939851 /nfs/dbraw/zinc/93/98/51/808939851.db2.gz OTJMBFIOZFKJBO-UHFFFAOYSA-N 0 0 264.332 3.326 20 10 CGCDRN Cc1c(N(c2ccc(N)cc2)c2ccc(N)cc2)cnn1C ZINC001174391850 808991381 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ZINC001232230046 818285708 /nfs/dbraw/zinc/28/57/08/818285708.db2.gz COAILZFBKMKFKJ-UHFFFAOYSA-N 0 0 275.421 3.231 20 10 CGCDRN Oc1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc(O)c1O ZINC001233012226 818500159 /nfs/dbraw/zinc/50/01/59/818500159.db2.gz JYLDSKZJZBPFQO-HNNXBMFYSA-N 0 0 299.370 3.183 20 10 CGCDRN [O-]c1c(CN2CCC[C@H](F)C(F)(F)C2)ccc(F)c1F ZINC001233074732 818518154 /nfs/dbraw/zinc/51/81/54/818518154.db2.gz VFAWMQGRKHBVJZ-JTQLQIEISA-N 0 0 295.251 3.240 20 10 CGCDRN [O-]c1c(C[NH+]2CCc3ccccc3CC2)ccc(F)c1F ZINC001233077074 818518917 /nfs/dbraw/zinc/51/89/17/818518917.db2.gz DARQPFFTHPLPHU-UHFFFAOYSA-N 0 0 289.325 3.271 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001233334544 818585090 /nfs/dbraw/zinc/58/50/90/818585090.db2.gz LGLTWXQYRVHOFN-LBPRGKRZSA-N 0 0 290.313 3.055 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC12CCCC2 ZINC001233332654 818586746 /nfs/dbraw/zinc/58/67/46/818586746.db2.gz SOVJUINCRVKVOM-UHFFFAOYSA-N 0 0 253.292 3.189 20 10 CGCDRN 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COc1ccc(C[N@H+](C)C[C@H]2CCCCO2)c([O-])c1Cl ZINC001236808531 819602618 /nfs/dbraw/zinc/60/26/18/819602618.db2.gz CVCLWRRGLKCVBK-GFCCVEGCSA-N 0 0 299.798 3.055 20 10 CGCDRN COc1ccc(C[N@H+]2CCC[C@H](OC)CC2)c([O-])c1Cl ZINC001236812237 819603739 /nfs/dbraw/zinc/60/37/39/819603739.db2.gz UCESXYQLRSRPRL-LBPRGKRZSA-N 0 0 299.798 3.055 20 10 CGCDRN COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1Cl ZINC001236811752 819604784 /nfs/dbraw/zinc/60/47/84/819604784.db2.gz NUSODIMAVBOAAP-GXSJLCMTSA-N 0 0 267.756 3.039 20 10 CGCDRN COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c([O-])c1Cl ZINC001236817769 819606042 /nfs/dbraw/zinc/60/60/42/819606042.db2.gz HISWFECBALBHDA-CMPLNLGQSA-N 0 0 299.798 3.054 20 10 CGCDRN CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236819572 819606186 /nfs/dbraw/zinc/60/61/86/819606186.db2.gz WYRZMURZLNDFAL-SNVBAGLBSA-N 0 0 269.772 3.286 20 10 CGCDRN COc1cc(C)c(C[N@H+](C)Cc2cccnc2C)c(O)c1 ZINC001236820387 819607479 /nfs/dbraw/zinc/60/74/79/819607479.db2.gz 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937112860 /nfs/dbraw/zinc/11/28/60/937112860.db2.gz SPVNUEGWPZWSTB-JTQLQIEISA-N 0 0 294.351 3.094 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)CCC1 ZINC001356268367 937156480 /nfs/dbraw/zinc/15/64/80/937156480.db2.gz XUDGDGREDUXMDP-UHFFFAOYSA-N 0 0 286.419 3.435 20 10 CGCDRN CC1(C2([NH2+]Cc3cc(F)c(F)cc3[O-])CC2)CC1 ZINC001560831438 937238089 /nfs/dbraw/zinc/23/80/89/937238089.db2.gz PHOFWVXVTXJIBT-UHFFFAOYSA-N 0 0 253.292 3.093 20 10 CGCDRN CC(C)Cc1cc(N(C)Cc2ccccc2O)ncn1 ZINC001458264641 928597017 /nfs/dbraw/zinc/59/70/17/928597017.db2.gz WPURXBPWXVOVRG-UHFFFAOYSA-N 0 0 271.364 3.017 20 10 CGCDRN CCN(C(=O)/C(C)=C\c1cccnc1)c1ncccc1C ZINC001436051861 937273430 /nfs/dbraw/zinc/27/34/30/937273430.db2.gz CBDWYUMINPZTKQ-KAMYIIQDSA-N 0 0 281.359 3.241 20 10 CGCDRN COc1cc(Cl)cc(CN[C@@H]2CCCC2(F)F)c1O ZINC000398227241 928805913 /nfs/dbraw/zinc/80/59/13/928805913.db2.gz VHPHPEOOTGRQIL-LLVKDONJSA-N 0 0 291.725 3.332 20 10 CGCDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1=CC(=O)CS1 ZINC001440714106 937332873 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COc1cc(C)c(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(O)c1 ZINC001308771839 933174075 /nfs/dbraw/zinc/17/40/75/933174075.db2.gz NGFVTJHSJWXCMX-WMZOPIPTSA-N 0 0 287.403 3.330 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC001312086027 933335681 /nfs/dbraw/zinc/33/56/81/933335681.db2.gz GVKKUUMMOFNDPB-QWRGUYRKSA-N 0 0 282.359 3.155 20 10 CGCDRN CC1(C)CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001312083374 933336033 /nfs/dbraw/zinc/33/60/33/933336033.db2.gz HBPSCNDRVLJWIR-UHFFFAOYSA-N 0 0 288.391 3.386 20 10 CGCDRN Cc1ccc(C)c(NC(=O)NCc2c(O)cccc2F)c1 ZINC001465175980 937698750 /nfs/dbraw/zinc/69/87/50/937698750.db2.gz PJCBFJBUDSOUPA-UHFFFAOYSA-N 0 0 288.322 3.470 20 10 CGCDRN CC(C)CC[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001465947314 937705157 /nfs/dbraw/zinc/70/51/57/937705157.db2.gz AWOYILGGEWYZDK-AWEZNQCLSA-N 0 0 291.391 3.068 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cn1cccnc1=S ZINC001319878948 933950630 /nfs/dbraw/zinc/95/06/30/933950630.db2.gz NGLCHMOBHLCCMT-UHFFFAOYSA-N 0 0 287.388 3.031 20 10 CGCDRN Cc1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC001471193783 937762266 /nfs/dbraw/zinc/76/22/66/937762266.db2.gz KTHPLSYYLDRMJP-GFCCVEGCSA-N 0 0 255.317 3.192 20 10 CGCDRN CCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)nc1 ZINC001471511393 937766752 /nfs/dbraw/zinc/76/67/52/937766752.db2.gz QDDIGDHRGMLDOB-UHFFFAOYSA-N 0 0 297.318 3.059 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1ccc2ccncc2c1 ZINC001471975652 937771254 /nfs/dbraw/zinc/77/12/54/937771254.db2.gz BNDWOBWGICAKNS-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN CCCCc1cc(N(C)Cc2ccccc2O)ncn1 ZINC001472734277 937782191 /nfs/dbraw/zinc/78/21/91/937782191.db2.gz UJOFESBWPHGEIG-UHFFFAOYSA-N 0 0 271.364 3.161 20 10 CGCDRN Cc1cc(C)c([C@H](C)[NH2+]CCC2CCOCC2)c(O)c1 ZINC001324963555 934877106 /nfs/dbraw/zinc/87/71/06/934877106.db2.gz AYGPYFMNQZPMHK-AWEZNQCLSA-N 0 0 277.408 3.476 20 10 CGCDRN CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC001325314289 934903638 /nfs/dbraw/zinc/90/36/38/934903638.db2.gz WPIKSCBDICKTID-ADEWGFFLSA-N 0 0 269.772 3.264 20 10 CGCDRN Cc1csc(CCC[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC001331053558 935345924 /nfs/dbraw/zinc/34/59/24/935345924.db2.gz PXTNCWNUZPVYNS-UHFFFAOYSA-N 0 0 298.358 3.158 20 10 CGCDRN CCOc1ncccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC001331255227 935362267 /nfs/dbraw/zinc/36/22/67/935362267.db2.gz UZCPSBRCDOOQMC-NSHDSACASA-N 0 0 290.338 3.176 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(CF)CCC1 ZINC001332482872 935473119 /nfs/dbraw/zinc/47/31/19/935473119.db2.gz SWNPPADUEFYZER-UHFFFAOYSA-N 0 0 291.366 3.027 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C(C)(F)F)CC2)c1 ZINC001334326869 936097345 /nfs/dbraw/zinc/09/73/45/936097345.db2.gz XLRBVDHAGHEORA-VIFPVBQESA-N 0 0 299.317 3.013 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCCCCCCC2)cc1 ZINC001336290776 936186900 /nfs/dbraw/zinc/18/69/00/936186900.db2.gz RMMSOAROHZTKGQ-UHFFFAOYSA-N 0 0 275.396 3.135 20 10 CGCDRN Cc1cc([C@@H](C)NC(=O)NCc2ccc(N)cc2)c(C)o1 ZINC001336770651 936216311 /nfs/dbraw/zinc/21/63/11/936216311.db2.gz KKWRESUNBFOPKB-LLVKDONJSA-N 0 0 287.363 3.039 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001337014606 936232046 /nfs/dbraw/zinc/23/20/46/936232046.db2.gz BENVRHCEEBBXDQ-IIAWOOMASA-N 0 0 287.407 3.037 20 10 CGCDRN CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001337017672 936232844 /nfs/dbraw/zinc/23/28/44/936232844.db2.gz BFKVQBFPYXTGTC-BBRMVZONSA-N 0 0 289.423 3.379 20 10 CGCDRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001337017675 936233113 /nfs/dbraw/zinc/23/31/13/936233113.db2.gz BFKVQBFPYXTGTC-XJKSGUPXSA-N 0 0 289.423 3.379 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H](OC)C2CCC2)cc1 ZINC001473776023 937821060 /nfs/dbraw/zinc/82/10/60/937821060.db2.gz XXCQJRNYSMWTML-MRXNPFEDSA-N 0 0 263.381 3.337 20 10 CGCDRN C[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC001473912878 937829380 /nfs/dbraw/zinc/82/93/80/937829380.db2.gz XXJQSWRUMNCBGF-UHIISALHSA-N 0 0 278.352 3.215 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H]2CCO[C@H]21 ZINC001474016057 937835493 /nfs/dbraw/zinc/83/54/93/937835493.db2.gz LFWGCBSKVGAQEA-LERXQTSPSA-N 0 0 299.773 3.088 20 10 CGCDRN Cc1nocc1NCc1c(O)ccc(Cl)c1F ZINC001474252737 937846301 /nfs/dbraw/zinc/84/63/01/937846301.db2.gz VURTVUUEJPYCEE-UHFFFAOYSA-N 0 0 256.664 3.093 20 10 CGCDRN COc1nscc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001474253518 937846965 /nfs/dbraw/zinc/84/69/65/937846965.db2.gz ROIACKUPOAFRQN-SNAWJCMRSA-N 0 0 289.404 3.343 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001474572617 937868122 /nfs/dbraw/zinc/86/81/22/937868122.db2.gz WKWQILROASRALW-ZJUUUORDSA-N 0 0 291.700 3.272 20 10 CGCDRN CC[C@@H](C)[C@@H](CN(C)c1ccc(OC)c(OC)c1)OC ZINC001474601770 937869611 /nfs/dbraw/zinc/86/96/11/937869611.db2.gz VHDIXNYIZSYILP-MLGOLLRUSA-N 0 0 281.396 3.201 20 10 CGCDRN COC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCCCC1 ZINC001474741528 937878323 /nfs/dbraw/zinc/87/83/23/937878323.db2.gz IYFCBCZFBDMULK-UHFFFAOYSA-N 0 0 299.361 3.499 20 10 CGCDRN C[C@H]1CCC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001477610286 937896829 /nfs/dbraw/zinc/89/68/29/937896829.db2.gz MRODQICGUZNLJN-QWHCGFSZSA-N 0 0 288.391 3.244 20 10 CGCDRN C[C@@H]1CC(NC(=O)NCc2c(O)cccc2F)C[C@@H](C)C1 ZINC001477964879 937900255 /nfs/dbraw/zinc/90/02/55/937900255.db2.gz VAPKGUBFWUENNB-QWRGUYRKSA-N 0 0 294.370 3.155 20 10 CGCDRN CCC[C@@H](C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001520502146 938026162 /nfs/dbraw/zinc/02/61/62/938026162.db2.gz UVYJRXSXVUIIHZ-OAHLLOKOSA-N 0 0 299.370 3.298 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC001523212006 938038704 /nfs/dbraw/zinc/03/87/04/938038704.db2.gz KSTSRDQENGQZEL-FMKPAKJESA-N 0 0 288.435 3.441 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccsc2)cn1 ZINC001531122040 938080685 /nfs/dbraw/zinc/08/06/85/938080685.db2.gz PMZDXWVLVSXZQN-AATRIKPKSA-N 0 0 258.346 3.128 20 10 CGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2cncc(C)c2)cc1 ZINC001533539962 938090838 /nfs/dbraw/zinc/09/08/38/938090838.db2.gz QZFJOORFWUUYMR-WTKPLQERSA-N 0 0 294.354 3.269 20 10 CGCDRN CC[C@H](CC1CCCC1)C(=O)NCc1cc(O)ccc1O ZINC001558174809 938213948 /nfs/dbraw/zinc/21/39/48/938213948.db2.gz UZHNRYRJKRTZFW-CYBMUJFWSA-N 0 0 291.391 3.321 20 10 CGCDRN Cc1cccc2ncnc(NCc3c(O)cccc3F)c12 ZINC001559284922 938224471 /nfs/dbraw/zinc/22/44/71/938224471.db2.gz WRHZGWXLXRBVBT-UHFFFAOYSA-N 0 0 283.306 3.395 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCCc1cnoc1 ZINC001559342199 938225432 /nfs/dbraw/zinc/22/54/32/938225432.db2.gz UEPYLNYWUONLLT-UHFFFAOYSA-N 0 0 285.372 3.410 20 10 CGCDRN CO[C@H](CC(C)C)CN1CCOc2cc(N(C)C)ccc21 ZINC001559714391 938233394 /nfs/dbraw/zinc/23/33/94/938233394.db2.gz ULNITLNDNKNJOB-OAHLLOKOSA-N 0 0 292.423 3.013 20 10 CGCDRN CCc1cnc(CNCc2ccc(N(C)C)c(F)c2)s1 ZINC001560298404 938251832 /nfs/dbraw/zinc/25/18/32/938251832.db2.gz DQDDRZFAJIMSRB-UHFFFAOYSA-N 0 0 293.411 3.200 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2ccc3[nH]nnc3c2)cc1 ZINC001560380966 938256227 /nfs/dbraw/zinc/25/62/27/938256227.db2.gz RDPYBJRNWSQYGL-ARJAWSKDSA-N 0 0 293.374 3.149 20 10 CGCDRN CCCn1cc(NCc2cc(Cl)cc(F)c2O)cn1 ZINC001560385733 938256585 /nfs/dbraw/zinc/25/65/85/938256585.db2.gz VSIBKULNQWWBOE-UHFFFAOYSA-N 0 0 283.734 3.403 20 10 CGCDRN CCc1cccnc1NCc1ccc(N(C)C)c(F)c1 ZINC001560408396 938257298 /nfs/dbraw/zinc/25/72/98/938257298.db2.gz NTIFWOXWGXTHOD-UHFFFAOYSA-N 0 0 273.355 3.461 20 10 CGCDRN CC[C@]1(C)CN(Cc2cc(Cl)c(C)cc2O)CCO1 ZINC001560761565 938274527 /nfs/dbraw/zinc/27/45/27/938274527.db2.gz JTZBMKSRASGUCO-OAHLLOKOSA-N 0 0 283.799 3.355 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001560934120 938284900 /nfs/dbraw/zinc/28/49/00/938284900.db2.gz JKRFNZWLTZTDQK-SCVCMEIPSA-N 0 0 267.319 3.196 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCCO1 ZINC001561030449 938290246 /nfs/dbraw/zinc/29/02/46/938290246.db2.gz NYRFAEMYJVCRSB-AWEZNQCLSA-N 0 0 287.762 3.234 20 10 CGCDRN CCC1(CNC(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC001564356536 960640643 /nfs/dbraw/zinc/64/06/43/960640643.db2.gz ROSGTGSVNIGSMZ-UHFFFAOYSA-N 0 0 288.391 3.388 20 10 CGCDRN CCC(C)(C)CNC(=O)NCc1cccc(Cl)c1O ZINC001564552375 960658162 /nfs/dbraw/zinc/65/81/62/960658162.db2.gz QYGJSZKKJKDFTK-UHFFFAOYSA-N 0 0 284.787 3.281 20 10 CGCDRN CC[C@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CC1(C)C ZINC001564951654 960710683 /nfs/dbraw/zinc/71/06/83/960710683.db2.gz BAUGJXSOIUEXBN-AAEUAGOBSA-N 0 0 294.370 3.155 20 10 CGCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001573823162 962288661 /nfs/dbraw/zinc/28/86/61/962288661.db2.gz ZWIZISLJVYCHRJ-OAHLLOKOSA-N 0 0 297.782 3.122 20 10 CGCDRN CC(C)C[C@@H](NCc1ccc(N)cc1)C(=O)OC(C)(C)C ZINC001575634530 962399333 /nfs/dbraw/zinc/39/93/33/962399333.db2.gz WQTYNXBHNYRUIC-OAHLLOKOSA-N 0 0 292.423 3.115 20 10 CGCDRN CCCCN(C(=O)Cc1ccc(N)cc1)c1ccncc1 ZINC001577441855 962545511 /nfs/dbraw/zinc/54/55/11/962545511.db2.gz JBYLZMCJUINJFQ-UHFFFAOYSA-N 0 0 283.375 3.040 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccsc2)s1 ZINC001586479686 963110184 /nfs/dbraw/zinc/11/01/84/963110184.db2.gz VNFZCDKFFJDZMW-ONEGZZNKSA-N 0 0 264.375 3.189 20 10 CGCDRN C[C@H]([NH2+]CCCCCC(=O)[O-])c1cc(Cl)ccc1O ZINC001609920737 970605364 /nfs/dbraw/zinc/60/53/64/970605364.db2.gz GAPZDWAJUVRZPW-JTQLQIEISA-N 0 0 285.771 3.341 20 10 CGCDRN CCC(CC)(C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001595077412 979352801 /nfs/dbraw/zinc/35/28/01/979352801.db2.gz DTANEVVGZFMLIA-CYBMUJFWSA-N 0 0 292.423 3.294 20 10 CGCDRN CCC(CC)(C[NH2+][C@H](C)c1cc(C)ccc1O)C(=O)[O-] ZINC001595077871 979358160 /nfs/dbraw/zinc/35/81/60/979358160.db2.gz RMPOYFQWTJILQP-GFCCVEGCSA-N 0 0 279.380 3.242 20 10 CGCDRN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccccc1O ZINC001595362819 980775093 /nfs/dbraw/zinc/77/50/93/980775093.db2.gz PWLKQVSVBAJOGH-MRXNPFEDSA-N 0 0 299.370 3.430 20 10 CGCDRN CCCC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595737004 982386901 /nfs/dbraw/zinc/38/69/01/982386901.db2.gz JGWQBBHEOIZKRR-UHFFFAOYSA-N 0 0 292.354 3.248 20 10 CGCDRN CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])[C@H](C)CC ZINC001595747638 982415170 /nfs/dbraw/zinc/41/51/70/982415170.db2.gz HFYTYTUTBDKQAR-CZUORRHYSA-N 0 0 293.407 3.494 20 10 CGCDRN CC(C)(C)C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC001589751309 988051800 /nfs/dbraw/zinc/05/18/00/988051800.db2.gz BWFMGEBCWRYNBU-LLVKDONJSA-N 0 0 285.771 3.025 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cc(C(=O)[O-])ccc1O ZINC001593224845 994343123 /nfs/dbraw/zinc/34/31/23/994343123.db2.gz RTZMHYUMHFRPJK-IINYFYTJSA-N 0 0 277.364 3.320 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cc(C(=O)[O-])ccc1O ZINC001593257762 994536080 /nfs/dbraw/zinc/53/60/80/994536080.db2.gz SWWAOCCCNCCWIP-ZYHUDNBSSA-N 0 0 295.404 3.027 20 10 CGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001594186937 998722667 /nfs/dbraw/zinc/72/26/67/998722667.db2.gz ZBOGZEJHHKDUMX-BREBYQMCSA-N 0 0 297.782 3.025 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC001594423877 999584229 /nfs/dbraw/zinc/58/42/29/999584229.db2.gz JZLCDKJELWOVJH-DOMZBBRYSA-N 0 0 291.391 3.201 20 10 CGCDRN CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187714958 282282180 /nfs/dbraw/zinc/28/21/80/282282180.db2.gz KEUYITMFDZIWTN-TVQRCGJNSA-N 0 0 287.350 3.118 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000028046727 344912950 /nfs/dbraw/zinc/91/29/50/344912950.db2.gz HITXNMBMKIVGLL-UHFFFAOYSA-N 0 0 284.359 3.118 20 10 CGCDRN CCN(CC)c1ccc(CNc2ncccn2)cc1F ZINC000066859974 345308963 /nfs/dbraw/zinc/30/89/63/345308963.db2.gz UXXATCJWOAWHTL-UHFFFAOYSA-N 0 0 274.343 3.074 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc(F)cc2)c1 ZINC000255073138 346396319 /nfs/dbraw/zinc/39/63/19/346396319.db2.gz VNFMJPPEGORXIA-BAQGIRSFSA-N 0 0 270.307 3.205 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1CCC1 ZINC000335824854 346496986 /nfs/dbraw/zinc/49/69/86/346496986.db2.gz YAKASMPDOXYMPK-UHFFFAOYSA-N 0 0 285.391 3.181 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000276965975 299344498 /nfs/dbraw/zinc/34/44/98/299344498.db2.gz SQCATCGYYUENGU-OUJBWJOFSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273513167 299381525 /nfs/dbraw/zinc/38/15/25/299381525.db2.gz SEABKXICHDGVCR-GBIKHYSHSA-N 0 0 264.325 3.140 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCC(F)(F)F ZINC000124844308 370927220 /nfs/dbraw/zinc/92/72/20/370927220.db2.gz RLCKDCDTGQMXQO-UHFFFAOYSA-N 0 0 267.678 3.478 20 10 CGCDRN CCN(C(=O)/C=C\c1cncs1)c1ccc(F)cc1 ZINC000493407170 244157308 /nfs/dbraw/zinc/15/73/08/244157308.db2.gz YGHATTUSNSFNFI-FPLPWBNLSA-N 0 0 276.336 3.349 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCc2c1cc(F)cc2F ZINC000493826404 244239481 /nfs/dbraw/zinc/23/94/81/244239481.db2.gz RHJXITOFDWOZAT-OWOJBTEDSA-N 0 0 292.310 3.024 20 10 CGCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000273554521 299406591 /nfs/dbraw/zinc/40/65/91/299406591.db2.gz GRERCVNWDBXCIC-BLLLJJGKSA-N 0 0 289.350 3.306 20 10 CGCDRN CCc1nc(CN(C)Cc2ccccc2O)cs1 ZINC000111236457 370395023 /nfs/dbraw/zinc/39/50/23/370395023.db2.gz DDMNBWXBEZGPGD-UHFFFAOYSA-N 0 0 262.378 3.043 20 10 CGCDRN CCN(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000286526239 371514116 /nfs/dbraw/zinc/51/41/16/371514116.db2.gz GAKNFYWBYOSEEU-UHFFFAOYSA-N 0 0 289.423 3.180 20 10 CGCDRN COCCc1ccnc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000287646749 371689737 /nfs/dbraw/zinc/68/97/37/371689737.db2.gz UUAINWGPEDHXTQ-CYBMUJFWSA-N 0 0 286.375 3.458 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000287746010 371701022 /nfs/dbraw/zinc/70/10/22/371701022.db2.gz ZABKQDWDMLYPDU-GXFFZTMASA-N 0 0 269.385 3.325 20 10 CGCDRN Cc1cccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1O ZINC000159730473 372174463 /nfs/dbraw/zinc/17/44/63/372174463.db2.gz PLXQODSIQYVYDM-QGZVFWFLSA-N 0 0 284.403 3.093 20 10 CGCDRN C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(F)cc1[O-] ZINC000160722635 372271180 /nfs/dbraw/zinc/27/11/80/372271180.db2.gz WGQSPKIHSJSVAT-LBPRGKRZSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000293785115 372481056 /nfs/dbraw/zinc/48/10/56/372481056.db2.gz UBRLYCAHJPMZRD-QMMMGPOBSA-N 0 0 259.271 3.227 20 10 CGCDRN C[C@H](O)CC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293651965 372438223 /nfs/dbraw/zinc/43/82/23/372438223.db2.gz OVRAXISYMKBKSK-VIFPVBQESA-N 0 0 289.778 3.071 20 10 CGCDRN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2c(C)cc(C)cc2O)[nH]n1 ZINC000294678362 372666491 /nfs/dbraw/zinc/66/64/91/372666491.db2.gz HZLRMWRQXIBUPX-TZMCWYRMSA-N 0 0 287.407 3.322 20 10 CGCDRN CC(F)(F)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000296069693 373013154 /nfs/dbraw/zinc/01/31/54/373013154.db2.gz PTLGCJFWHPBYGI-UHFFFAOYSA-N 0 0 267.678 3.320 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CCCCO)c1ccc(F)cc1[O-] ZINC000296272391 373074748 /nfs/dbraw/zinc/07/47/48/373074748.db2.gz DRPNKGHXGSZCIV-BXUZGUMPSA-N 0 0 269.360 3.123 20 10 CGCDRN C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1nccs1 ZINC000296261329 373073429 /nfs/dbraw/zinc/07/34/29/373073429.db2.gz BRLRXECLDVWWFE-CMPLNLGQSA-N 0 0 274.389 3.229 20 10 CGCDRN CC(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298406631 373318325 /nfs/dbraw/zinc/31/83/25/373318325.db2.gz VHEOIHIVMSROKF-UHFFFAOYSA-N 0 0 274.408 3.290 20 10 CGCDRN COc1cccc(CNc2cccc(C)c2[N+](=O)[O-])c1O ZINC000302522001 373887909 /nfs/dbraw/zinc/88/79/09/373887909.db2.gz YDBPCXFHKCZNAI-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN Cc1cc2c(NCc3ccc(N(C)C)cc3C)nccn2n1 ZINC000302578008 373897881 /nfs/dbraw/zinc/89/78/81/373897881.db2.gz RQGNCXPCJXSEPW-UHFFFAOYSA-N 0 0 295.390 3.024 20 10 CGCDRN CCc1nc(Cl)c(C)c(N(C)Cc2ccccc2O)n1 ZINC000302653982 373916942 /nfs/dbraw/zinc/91/69/42/373916942.db2.gz NRDJBDJTTNFOLU-UHFFFAOYSA-N 0 0 291.782 3.343 20 10 CGCDRN Cc1cc(Cl)cc(CN(C)Cc2cscn2)c1O ZINC000179865881 373930385 /nfs/dbraw/zinc/93/03/85/373930385.db2.gz JXRIHXCAYQRCNF-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN C[C@H]1CCC[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180917647 374059233 /nfs/dbraw/zinc/05/92/33/374059233.db2.gz CAMBFYICBKEZCY-VWZQRQAESA-N 0 0 289.375 3.148 20 10 CGCDRN Nc1ccc(Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000307321558 374146691 /nfs/dbraw/zinc/14/66/91/374146691.db2.gz WSNVLQINYFIGJG-UHFFFAOYSA-N 0 0 264.332 3.257 20 10 CGCDRN CC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182463736 374277455 /nfs/dbraw/zinc/27/74/55/374277455.db2.gz WHRDNOHRGTXHBX-LBPRGKRZSA-N 0 0 277.364 3.059 20 10 CGCDRN CN(C(=O)c1cccc(O)c1O)C1CCCCCCC1 ZINC000188332592 375199254 /nfs/dbraw/zinc/19/92/54/375199254.db2.gz IAUSBULELUTKKO-UHFFFAOYSA-N 0 0 277.364 3.283 20 10 CGCDRN C[C@H](Sc1nccs1)c1nnnn1C1CCCCC1 ZINC000188977266 375304433 /nfs/dbraw/zinc/30/44/33/375304433.db2.gz VQILVGHPLRUTOA-VIFPVBQESA-N 0 0 295.437 3.488 20 10 CGCDRN C[C@H]1CCN(C(=O)/C=C\c2cccnc2)c2c(O)cccc21 ZINC000492612483 375447623 /nfs/dbraw/zinc/44/76/23/375447623.db2.gz AQBDLKSJEYOYCV-WSROAFLRSA-N 0 0 294.354 3.341 20 10 CGCDRN CCOc1ccc(NCc2cc(F)ccc2O)cc1CO ZINC000226581638 376364786 /nfs/dbraw/zinc/36/47/86/376364786.db2.gz GBOAJFSEBIBANR-UHFFFAOYSA-N 0 0 291.322 3.034 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000267315230 378035576 /nfs/dbraw/zinc/03/55/76/378035576.db2.gz FMEPICGHJVEWEB-FVQHAEBGSA-N 0 0 286.419 3.147 20 10 CGCDRN CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1O ZINC000267411803 378039404 /nfs/dbraw/zinc/03/94/04/378039404.db2.gz VBFLJAVYXMQQSS-INIZCTEOSA-N 0 0 299.370 3.174 20 10 CGCDRN Cc1ccccc1[C@H](NC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000269242101 378200234 /nfs/dbraw/zinc/20/02/34/378200234.db2.gz ZQRANPCRMCIATC-LJQANCHMSA-N 0 0 294.398 3.387 20 10 CGCDRN COCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000272318269 378612659 /nfs/dbraw/zinc/61/26/59/378612659.db2.gz ZWQBDXLEGJPYOT-AWEZNQCLSA-N 0 0 299.370 3.128 20 10 CGCDRN C[C@H]1CC(C(=O)NCc2ccccc2O)C[C@H](C)C1 ZINC000272506614 378652769 /nfs/dbraw/zinc/65/27/69/378652769.db2.gz JITZKRJRBJDVHN-VXGBXAGGSA-N 0 0 261.365 3.081 20 10 CGCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000273180019 378737786 /nfs/dbraw/zinc/73/77/86/378737786.db2.gz ODGIRGWZHGFMAK-NEPJUHHUSA-N 0 0 283.799 3.340 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273346976 378742117 /nfs/dbraw/zinc/74/21/17/378742117.db2.gz AVVRYKKAUOWLJJ-GHMZBOCLSA-N 0 0 262.309 3.060 20 10 CGCDRN COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000273383250 378744073 /nfs/dbraw/zinc/74/40/73/378744073.db2.gz CIHFLBKRHVHPCH-MELADBBJSA-N 0 0 293.407 3.257 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000273530854 378751828 /nfs/dbraw/zinc/75/18/28/378751828.db2.gz WGVPTWIQTSGMPO-AAEUAGOBSA-N 0 0 279.355 3.284 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(C(C)(C)C)o2)cc1F ZINC000273583397 378753641 /nfs/dbraw/zinc/75/36/41/378753641.db2.gz KMBCLPKKBJMDGZ-UHFFFAOYSA-N 0 0 292.358 3.184 20 10 CGCDRN Cc1nnc([C@H](C)N[C@H](C)c2ccc(F)cc2O)s1 ZINC000274262699 378800599 /nfs/dbraw/zinc/80/05/99/378800599.db2.gz VCCUMNJFAPYGAX-SFYZADRCSA-N 0 0 281.356 3.103 20 10 CGCDRN Oc1ccc(F)cc1CN1CCC[C@H]1c1nccs1 ZINC000378492628 379832023 /nfs/dbraw/zinc/83/20/23/379832023.db2.gz HIELIZQSIDYXRH-LBPRGKRZSA-N 0 0 278.352 3.325 20 10 CGCDRN CC[C@H]([NH2+]CCc1nccs1)c1ccc(F)cc1[O-] ZINC000286217286 380177579 /nfs/dbraw/zinc/17/75/79/380177579.db2.gz SFDZUMKIAVHMGU-LBPRGKRZSA-N 0 0 280.368 3.271 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000285518123 380150972 /nfs/dbraw/zinc/15/09/72/380150972.db2.gz BAYBGSMUGNCNBI-TZMCWYRMSA-N 0 0 267.344 3.141 20 10 CGCDRN Cc1csc(C[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000124693174 392435563 /nfs/dbraw/zinc/43/55/63/392435563.db2.gz QYMVCPYCPHAGNX-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN Cc1cccc(CNc2ccc3c(c2)OCCO3)c1O ZINC000158114703 392556594 /nfs/dbraw/zinc/55/65/94/392556594.db2.gz MXUGABJUTZJNIE-UHFFFAOYSA-N 0 0 271.316 3.084 20 10 CGCDRN Cc1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c(O)c1O ZINC000177686525 392666179 /nfs/dbraw/zinc/66/61/79/392666179.db2.gz MFMUNSOJDVZYPX-BZPMIXESSA-N 0 0 289.375 3.199 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c(O)c1O ZINC000179525186 392702589 /nfs/dbraw/zinc/70/25/89/392702589.db2.gz ULYPMOXAUXGEAU-IUODEOHRSA-N 0 0 297.354 3.239 20 10 CGCDRN CC(C)Oc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000006828278 170247392 /nfs/dbraw/zinc/24/73/92/170247392.db2.gz OMFWLYLAOJXAOG-XFFZJAGNSA-N 0 0 279.386 3.374 20 10 CGCDRN Oc1ccc(CCNc2ccc(C(F)(F)F)cn2)cc1O ZINC000302711474 227879190 /nfs/dbraw/zinc/87/91/90/227879190.db2.gz XARZORVTTXUEEJ-UHFFFAOYSA-N 0 0 298.264 3.166 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1nnc(C2CC2)n1C ZINC000656778586 419216611 /nfs/dbraw/zinc/21/66/11/419216611.db2.gz QLTZTIFOSDZNMD-UHFFFAOYSA-N 0 0 295.390 3.105 20 10 CGCDRN O[C@H](COc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000155257642 261100157 /nfs/dbraw/zinc/10/01/57/261100157.db2.gz DILVRBDZJVDSML-GOSISDBHSA-N 0 0 283.371 3.399 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c(O)c1O ZINC000179525211 261793630 /nfs/dbraw/zinc/79/36/30/261793630.db2.gz ULYPMOXAUXGEAU-DOMZBBRYSA-N 0 0 297.354 3.239 20 10 CGCDRN C[C@@H](CCC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000182546259 261942493 /nfs/dbraw/zinc/94/24/93/261942493.db2.gz QDOKAWOGDKDOQP-ZDUSSCGKSA-N 0 0 299.370 3.298 20 10 CGCDRN Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185395869 262052678 /nfs/dbraw/zinc/05/26/78/262052678.db2.gz SGVYUZCADPEBCW-VIFPVBQESA-N 0 0 278.327 3.029 20 10 CGCDRN Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185395888 262053141 /nfs/dbraw/zinc/05/31/41/262053141.db2.gz SGVYUZCADPEBCW-SECBINFHSA-N 0 0 278.327 3.029 20 10 CGCDRN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185614752 262062374 /nfs/dbraw/zinc/06/23/74/262062374.db2.gz AMEVHZROEQVDNL-QWHCGFSZSA-N 0 0 283.387 3.227 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000186416076 262091969 /nfs/dbraw/zinc/09/19/69/262091969.db2.gz GWFWZCHKBRIAIY-CZUORRHYSA-N 0 0 261.365 3.033 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccccc2)cn1 ZINC000492479276 262217916 /nfs/dbraw/zinc/21/79/16/262217916.db2.gz YJUHCSPLPIUNDC-ZHACJKMWSA-N 0 0 252.317 3.066 20 10 CGCDRN CCN(Cc1ccncc1)Cc1c(O)cccc1Cl ZINC000289728023 263111669 /nfs/dbraw/zinc/11/16/69/263111669.db2.gz HRCQGRKTNJPNCR-UHFFFAOYSA-N 0 0 276.767 3.463 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C1CCCC1 ZINC000299575642 263248323 /nfs/dbraw/zinc/24/83/23/263248323.db2.gz BZHVIZRGVWNPFK-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CN(Cc1ccccc1O)c1nc(C(C)(C)C)ns1 ZINC000160149516 264239035 /nfs/dbraw/zinc/23/90/35/264239035.db2.gz XGSMDORBJMBIMU-UHFFFAOYSA-N 0 0 277.393 3.178 20 10 CGCDRN CC[C@H]([NH2+]CCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287088015 288041110 /nfs/dbraw/zinc/04/11/10/288041110.db2.gz VXTSZLCXAKLSKY-NSHDSACASA-N 0 0 278.179 3.122 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000287590498 288042951 /nfs/dbraw/zinc/04/29/51/288042951.db2.gz HYWFPLAJAWKLFU-GWCFXTLKSA-N 0 0 271.788 3.105 20 10 CGCDRN Cc1nnc(COc2ccc(N3CCCC3)cc2)s1 ZINC000271505155 279222690 /nfs/dbraw/zinc/22/26/90/279222690.db2.gz MOJKJTQFQGSFCU-UHFFFAOYSA-N 0 0 275.377 3.026 20 10 CGCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180632381 327806413 /nfs/dbraw/zinc/80/64/13/327806413.db2.gz ZAEWYGFWFOZWLE-HRNWIBGVSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1ccc([C@H]2COCCN2Cc2cccc(F)c2O)o1 ZINC000272280942 328199328 /nfs/dbraw/zinc/19/93/28/328199328.db2.gz MSSOKSQGRQWLCR-CQSZACIVSA-N 0 0 291.322 3.006 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000377827033 329030584 /nfs/dbraw/zinc/03/05/84/329030584.db2.gz SDCILQVHARRUAJ-KGLIPLIRSA-N 0 0 293.382 3.170 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000527922896 330295923 /nfs/dbraw/zinc/29/59/23/330295923.db2.gz BXHBOJJZKMHPDH-SWLSCSKDSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccc(F)cc1[O-] ZINC000528036660 330302894 /nfs/dbraw/zinc/30/28/94/330302894.db2.gz WXUFRMKZUVTSOK-UWVGGRQHSA-N 0 0 278.302 3.477 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc(F)cc2)c1 ZINC000121250798 330398520 /nfs/dbraw/zinc/39/85/20/330398520.db2.gz VNFMJPPEGORXIA-FPYGCLRLSA-N 0 0 270.307 3.205 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccccc1 ZINC000471218130 331503770 /nfs/dbraw/zinc/50/37/70/331503770.db2.gz JRLLMDRBIUOOFW-UHFFFAOYSA-N 0 0 292.382 3.346 20 10 CGCDRN O=C(/C=C/c1cnccn1)N1CCCSc2ccccc21 ZINC000491118496 332151388 /nfs/dbraw/zinc/15/13/88/332151388.db2.gz LATGERVIAWCYAV-VOTSOKGWSA-N 0 0 297.383 3.019 20 10 CGCDRN CCOC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000276607562 520087939 /nfs/dbraw/zinc/08/79/39/520087939.db2.gz KYGZHHCGCNDBFI-ZWNOBZJWSA-N 0 0 287.350 3.382 20 10 CGCDRN CCN(Cc1cc(F)cc(C(C)=O)c1O)CC(F)(F)F ZINC000042774561 521289625 /nfs/dbraw/zinc/28/96/25/521289625.db2.gz BGUOPXBOOKZHDI-UHFFFAOYSA-N 0 0 293.260 3.118 20 10 CGCDRN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000274906360 519284530 /nfs/dbraw/zinc/28/45/30/519284530.db2.gz IOMXHKVSCRCBKN-GJZGRUSLSA-N 0 0 281.371 3.215 20 10 CGCDRN CC(C)C1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000236585385 519564913 /nfs/dbraw/zinc/56/49/13/519564913.db2.gz NVNOFIXDQOBMDB-UHFFFAOYSA-N 0 0 274.408 3.142 20 10 CGCDRN CCOc1cccc(CN2CCOCc3ccccc32)c1O ZINC000291689611 521342248 /nfs/dbraw/zinc/34/22/48/521342248.db2.gz XYFSRCXFVWVUAB-UHFFFAOYSA-N 0 0 299.370 3.328 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CC(C)(F)F ZINC000277228434 521686901 /nfs/dbraw/zinc/68/69/01/521686901.db2.gz ZUJQCKCDNQYGBC-UHFFFAOYSA-N 0 0 271.307 3.176 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)/C=C/C2CC2)C2CC2)cc1 ZINC000266273501 522158263 /nfs/dbraw/zinc/15/82/63/522158263.db2.gz RLBIAUUROKAQMJ-KPKJPENVSA-N 0 0 284.403 3.210 20 10 CGCDRN CN(C)c1ccc(OCC[C@H](O)c2ccccc2)cc1 ZINC000289405292 522238614 /nfs/dbraw/zinc/23/86/14/522238614.db2.gz OORUECRSOAYFDG-KRWDZBQOSA-N 0 0 271.360 3.255 20 10 CGCDRN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287660901 522395510 /nfs/dbraw/zinc/39/55/10/522395510.db2.gz LSVGFRCSUMLVAS-DDTOSNHZSA-N 0 0 285.815 3.493 20 10 CGCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccncc1 ZINC000074440282 522406998 /nfs/dbraw/zinc/40/69/98/522406998.db2.gz QESJDFICOWSHHP-HNNXBMFYSA-N 0 0 299.374 3.080 20 10 CGCDRN COc1cc(NCc2cc(C)ccc2O)cc(OC)c1 ZINC000071403873 522748699 /nfs/dbraw/zinc/74/86/99/522748699.db2.gz LIBDAMRWCLPOLY-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN COC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000293547789 522748645 /nfs/dbraw/zinc/74/86/45/522748645.db2.gz GSXNUJIZMMLUTJ-LBPRGKRZSA-N 0 0 299.729 3.255 20 10 CGCDRN CC[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc(Cl)c1[O-] ZINC000289585617 522844637 /nfs/dbraw/zinc/84/46/37/522844637.db2.gz BSXJVJMYARZJLO-CYBMUJFWSA-N 0 0 279.771 3.052 20 10 CGCDRN CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289570285 523405366 /nfs/dbraw/zinc/40/53/66/523405366.db2.gz JMWIWXNHBPVQGD-QMMMGPOBSA-N 0 0 278.179 3.166 20 10 CGCDRN CCc1ccc(CCC(=O)NCc2ccccc2O)cc1 ZINC000299594793 523914403 /nfs/dbraw/zinc/91/44/03/523914403.db2.gz UIDCWZPIPXPNSM-UHFFFAOYSA-N 0 0 283.371 3.204 20 10 CGCDRN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000277732790 525133337 /nfs/dbraw/zinc/13/33/37/525133337.db2.gz JTXXUAYMJZVRJZ-PELKAZGASA-N 0 0 290.190 3.214 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000062745158 525446631 /nfs/dbraw/zinc/44/66/31/525446631.db2.gz GKDISZPGCXYVEN-LBPRGKRZSA-N 0 0 288.366 3.448 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(C2CC2)CCOCC1 ZINC000365139950 526344781 /nfs/dbraw/zinc/34/47/81/526344781.db2.gz QNWVSIHGUIJLCT-UHFFFAOYSA-N 0 0 299.773 3.234 20 10 CGCDRN Cc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000062748067 527277586 /nfs/dbraw/zinc/27/75/86/527277586.db2.gz ANUCDJHDPOYLGL-MRVPVSSYSA-N 0 0 266.341 3.147 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000037230930 527651409 /nfs/dbraw/zinc/65/14/09/527651409.db2.gz SNZVGIZUXFZZOG-LLVKDONJSA-N 0 0 272.396 3.276 20 10 CGCDRN CCC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000727184193 571730765 /nfs/dbraw/zinc/73/07/65/571730765.db2.gz AKRQHWVWWTZPCU-UHFFFAOYSA-N 0 0 285.343 3.230 20 10 CGCDRN Cc1cc(C(=O)OCc2ccoc2)c(C)n1-c1ccccn1 ZINC000727044785 571707913 /nfs/dbraw/zinc/70/79/13/571707913.db2.gz ORWFUVLCYHPYKZ-UHFFFAOYSA-N 0 0 296.326 3.439 20 10 CGCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000729050528 571863854 /nfs/dbraw/zinc/86/38/54/571863854.db2.gz WWKVCTABMBRQMK-DZGCQCFKSA-N 0 0 290.407 3.406 20 10 CGCDRN CCN(CC)c1ccc(C=Cc2n[nH]cc2C=O)cc1F ZINC000739423739 572413874 /nfs/dbraw/zinc/41/38/74/572413874.db2.gz CIKOAJQVGVAKPC-FNORWQNLSA-N 0 0 287.338 3.378 20 10 CGCDRN CN(Cc1ccc(Cl)cc1)C(=O)C1=CC(=O)CS1 ZINC000731864290 572430250 /nfs/dbraw/zinc/43/02/50/572430250.db2.gz TXNAVLAREBMICB-UHFFFAOYSA-N 0 0 281.764 3.379 20 10 CGCDRN O=C(Nc1nc(-c2ccco2)cs1)C1=CC(=O)CS1 ZINC000731869336 572434016 /nfs/dbraw/zinc/43/40/16/572434016.db2.gz FBQQCZSVTOOQLF-UHFFFAOYSA-N 0 0 292.341 3.423 20 10 CGCDRN Cc1cc(N(C)C)ccc1NC(=O)C1=CC(=O)CS1 ZINC000731869397 572434333 /nfs/dbraw/zinc/43/43/33/572434333.db2.gz GQLHSTKUXHDFAD-UHFFFAOYSA-N 0 0 276.361 3.080 20 10 CGCDRN O=C(NC[C@H]1CCCc2ccccc21)C1=CC(=O)CS1 ZINC000732268485 572455998 /nfs/dbraw/zinc/45/59/98/572455998.db2.gz LYDDUXQSSMUYKM-GFCCVEGCSA-N 0 0 287.384 3.304 20 10 CGCDRN CC(C)CCOC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732273257 572457099 /nfs/dbraw/zinc/45/70/99/572457099.db2.gz ZKBJUJASYSRBFP-UHFFFAOYSA-N 0 0 297.420 3.121 20 10 CGCDRN Cn1ccc2c1cccc2NC(=O)C1=CC(=O)CS1 ZINC000732282441 572458161 /nfs/dbraw/zinc/45/81/61/572458161.db2.gz GLMNGPWYDDGVSM-UHFFFAOYSA-N 0 0 272.329 3.198 20 10 CGCDRN O=C(Nc1cc(C2CCCC2)[nH]n1)C1=CC(=O)CS1 ZINC000740926803 572468800 /nfs/dbraw/zinc/46/88/00/572468800.db2.gz JTMUBMUNUAQTJP-UHFFFAOYSA-N 0 0 277.349 3.087 20 10 CGCDRN C/C=C/C=C\C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742483440 572587873 /nfs/dbraw/zinc/58/78/73/572587873.db2.gz LTTLKSNWLAKWSL-FBRVOWQISA-N 0 0 284.403 3.425 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCCC[C@@H]2C)c1 ZINC000734016849 572624883 /nfs/dbraw/zinc/62/48/83/572624883.db2.gz JGOKKHILLSJVEP-STQMWFEESA-N 0 0 291.391 3.233 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\C(C)(C)C ZINC000742953231 572627022 /nfs/dbraw/zinc/62/70/22/572627022.db2.gz ZVDMYZMBQICDNY-HJWRWDBZSA-N 0 0 288.391 3.080 20 10 CGCDRN CCc1ccc(CCOC(=O)C2=CC(=O)CS2)cc1 ZINC000734585656 572668791 /nfs/dbraw/zinc/66/87/91/572668791.db2.gz KBSAJSLPGCVNNG-UHFFFAOYSA-N 0 0 276.357 3.416 20 10 CGCDRN CCc1cnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000743841698 572686647 /nfs/dbraw/zinc/68/66/47/572686647.db2.gz SKEGLXZGYVFWPP-UHFFFAOYSA-N 0 0 299.418 3.468 20 10 CGCDRN O=C(N[C@@H](Cc1ccccc1)C1CC1)C1=CC(=O)CS1 ZINC000736727930 572807146 /nfs/dbraw/zinc/80/71/46/572807146.db2.gz XIJUBKLHWNCRLM-AWEZNQCLSA-N 0 0 287.384 3.205 20 10 CGCDRN CC(C)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745255525 572808972 /nfs/dbraw/zinc/80/89/72/572808972.db2.gz JGDFISWFXCAXMG-UHFFFAOYSA-N 0 0 290.407 3.116 20 10 CGCDRN CCc1cc(C[N@H+](CC)CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000737251498 572867733 /nfs/dbraw/zinc/86/77/33/572867733.db2.gz SMBRBWIJDFYFOD-UHFFFAOYSA-N 0 0 293.407 3.159 20 10 CGCDRN Cc1cc(CCNC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1ccccc1 ZINC000746425964 572870897 /nfs/dbraw/zinc/87/08/97/572870897.db2.gz LLNNQCUHWAVSAE-FZKQIMNGSA-N 0 0 296.414 3.409 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc(F)c1 ZINC000746492669 572873988 /nfs/dbraw/zinc/87/39/88/572873988.db2.gz IQFXBUPLVLCDAZ-UHFFFAOYSA-N 0 0 286.350 3.291 20 10 CGCDRN O=C1NC(=S)S/C1=C/c1cccc(-c2ccccn2)c1 ZINC000747690410 572941168 /nfs/dbraw/zinc/94/11/68/572941168.db2.gz JLLBVZHFVUUYTD-UKTHLTGXSA-N 0 0 298.392 3.237 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000748344878 572974746 /nfs/dbraw/zinc/97/47/46/572974746.db2.gz DSAUADAZVFHVBF-LBPRGKRZSA-N 0 0 287.334 3.341 20 10 CGCDRN CONC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000749341850 572992334 /nfs/dbraw/zinc/99/23/34/572992334.db2.gz HYWLDXGLJCIQIL-UHFFFAOYSA-N 0 0 272.348 3.002 20 10 CGCDRN COc1ccc(N(Cc2cnc(C)cn2)CC(C)C)cc1 ZINC000749442231 573004705 /nfs/dbraw/zinc/00/47/05/573004705.db2.gz UOZOPWDHJJNDQX-UHFFFAOYSA-N 0 0 285.391 3.456 20 10 CGCDRN CSC1(CNC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000899468780 620700906 /nfs/dbraw/zinc/70/09/06/620700906.db2.gz FOSOUSTZKZSOSG-UHFFFAOYSA-N 0 0 285.434 3.249 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000806157013 617617251 /nfs/dbraw/zinc/61/72/51/617617251.db2.gz AEQKOLREZJBQPS-BREBYQMCSA-N 0 0 271.788 3.246 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)COC)c1cccc(Cl)c1[O-] ZINC000806125738 617787266 /nfs/dbraw/zinc/78/72/66/617787266.db2.gz FHGOOFDJZNCOLG-CABZTGNLSA-N 0 0 257.761 3.121 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)CC1 ZINC000300571954 617796971 /nfs/dbraw/zinc/79/69/71/617796971.db2.gz LRQWMPJHOFSCCK-YPMHNXCESA-N 0 0 261.369 3.359 20 10 CGCDRN C/C(=C(/F)C(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000890763687 617820194 /nfs/dbraw/zinc/82/01/94/617820194.db2.gz ZZRVAKJFZNMHNL-WQLSENKSSA-N 0 0 283.730 3.315 20 10 CGCDRN CC[C@H](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000790912877 618005059 /nfs/dbraw/zinc/00/50/59/618005059.db2.gz IWBOUBFMVZYZMD-STQMWFEESA-N 0 0 262.397 3.366 20 10 CGCDRN COC[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000045656534 618027601 /nfs/dbraw/zinc/02/76/01/618027601.db2.gz DHDOXRAETSELGR-QMMMGPOBSA-N 0 0 278.179 3.071 20 10 CGCDRN Cc1ccc(C(=O)CSc2nccs2)s1 ZINC000040677252 618244039 /nfs/dbraw/zinc/24/40/39/618244039.db2.gz IBAYVYWAHYBFEN-UHFFFAOYSA-N 0 0 255.389 3.488 20 10 CGCDRN COc1ccc(CNc2ccc(C)cc2F)c(O)c1OC ZINC000892300640 618663095 /nfs/dbraw/zinc/66/30/95/618663095.db2.gz OWNKZUWHXREQFV-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN COc1ccc(CNc2ccc(F)c(C)c2)c(O)c1OC ZINC000892301739 618664388 /nfs/dbraw/zinc/66/43/88/618664388.db2.gz CLNVYSGIGOHTFU-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000184952016 625285040 /nfs/dbraw/zinc/28/50/40/625285040.db2.gz VUVWHVOXHYQMFT-ZDUSSCGKSA-N 0 0 288.366 3.318 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc(Cl)c(F)c2)SC1=S ZINC000255573610 618720193 /nfs/dbraw/zinc/72/01/93/618720193.db2.gz WIOMPNMUOATKCD-WEVVVXLNSA-N 0 0 287.768 3.310 20 10 CGCDRN CC1(C)CN(C(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000255574902 618721027 /nfs/dbraw/zinc/72/10/27/618721027.db2.gz YPCMLUSFKDREOS-KTKRTIGZSA-N 0 0 294.354 3.299 20 10 CGCDRN COc1cccc(CNC(=O)[C@H]2CCCC(C)(C)C2)c1O ZINC000179063481 618738547 /nfs/dbraw/zinc/73/85/47/618738547.db2.gz QHQGAGWUYMEYFF-LBPRGKRZSA-N 0 0 291.391 3.233 20 10 CGCDRN CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000235197499 618741548 /nfs/dbraw/zinc/74/15/48/618741548.db2.gz JEVNPDXKMSBBSR-STQMWFEESA-N 0 0 279.409 3.065 20 10 CGCDRN CCC[C@@]1(C)CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179528034 618794772 /nfs/dbraw/zinc/79/47/72/618794772.db2.gz UEEAFKXWSHGLFF-KRWDZBQOSA-N 0 0 291.391 3.449 20 10 CGCDRN OCc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000158705699 618856999 /nfs/dbraw/zinc/85/69/99/618856999.db2.gz YTYHIDLFHYAVDI-UHFFFAOYSA-N 0 0 263.724 3.150 20 10 CGCDRN CC[C@@H](N[C@H](C)c1csnn1)c1ccc(F)cc1O ZINC000840886431 618888144 /nfs/dbraw/zinc/88/81/44/618888144.db2.gz VYHXABKGDKFLNH-LDYMZIIASA-N 0 0 281.356 3.185 20 10 CGCDRN C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000185106265 625302066 /nfs/dbraw/zinc/30/20/66/625302066.db2.gz DWRTYUBGLDQOJU-NSHDSACASA-N 0 0 293.313 3.400 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(F)ccc1Cl ZINC000311861272 618919826 /nfs/dbraw/zinc/91/98/26/618919826.db2.gz VFGTXSFLBYKXON-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN COc1ccc(N(Cc2ccco2)C[C@H](C)OC)cc1F ZINC000182341110 619035239 /nfs/dbraw/zinc/03/52/39/619035239.db2.gz SPCMHOPKXGKHKA-LBPRGKRZSA-N 0 0 293.338 3.469 20 10 CGCDRN COC[C@H](C)CN(C)c1ccc(OC(C)C)cc1 ZINC000192037039 619115187 /nfs/dbraw/zinc/11/51/87/619115187.db2.gz KWAFXZSNPWUTCO-CYBMUJFWSA-N 0 0 251.370 3.193 20 10 CGCDRN C=Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000197338633 619156537 /nfs/dbraw/zinc/15/65/37/619156537.db2.gz OWFZWRIOKSLMDL-UHFFFAOYSA-N 0 0 289.356 3.144 20 10 CGCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCCC[C@@H]1C ZINC000198208277 619159699 /nfs/dbraw/zinc/15/96/99/619159699.db2.gz PYZOSIHXGHFDJM-LBPRGKRZSA-N 0 0 297.358 3.265 20 10 CGCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C1CCCC1 ZINC000198834116 619162182 /nfs/dbraw/zinc/16/21/82/619162182.db2.gz OKHDYFQGPCWQCW-UHFFFAOYSA-N 0 0 297.358 3.265 20 10 CGCDRN Oc1ccc2ccccc2c1CN1CCC(F)(F)C1 ZINC000313306118 619167450 /nfs/dbraw/zinc/16/74/50/619167450.db2.gz CEDFTAXLBGUKOL-UHFFFAOYSA-N 0 0 263.287 3.386 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C3CCC3)c2)cc1F ZINC000893465381 619183633 /nfs/dbraw/zinc/18/36/33/619183633.db2.gz QBNQVUSELKOMTH-UHFFFAOYSA-N 0 0 289.354 3.392 20 10 CGCDRN COCc1nccc(NCc2c(C)c3ccccc3n2C)n1 ZINC000893588335 619229594 /nfs/dbraw/zinc/22/95/94/619229594.db2.gz RGZNBLCHJGSOHR-UHFFFAOYSA-N 0 0 296.374 3.035 20 10 CGCDRN COc1cc(C)cc(CNc2ncccc2C)c1O ZINC000894189909 619408470 /nfs/dbraw/zinc/40/84/70/619408470.db2.gz HONUQVCXHKKWDQ-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN COCc1cccc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000178880241 619426473 /nfs/dbraw/zinc/42/64/73/619426473.db2.gz HCFPCHUXSFBZFP-UHFFFAOYSA-N 0 0 285.343 3.198 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CC1 ZINC000048698853 619523623 /nfs/dbraw/zinc/52/36/23/619523623.db2.gz AGLQRTSTJRRWPG-UHFFFAOYSA-N 0 0 274.389 3.295 20 10 CGCDRN COc1cc(C)cc(CNc2cccc3c2OCO3)c1O ZINC000894438009 619536935 /nfs/dbraw/zinc/53/69/35/619536935.db2.gz PRPRECDWPAFDQD-UHFFFAOYSA-N 0 0 287.315 3.050 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C2CCCC2)c1 ZINC000749529721 619737965 /nfs/dbraw/zinc/73/79/65/619737965.db2.gz AADSUNKZPLIFKZ-NEPJUHHUSA-N 0 0 291.391 3.404 20 10 CGCDRN Cc1cc(C(=O)NC2CC2)c(C)n1-c1ccc(F)cc1 ZINC000015587317 619756564 /nfs/dbraw/zinc/75/65/64/619756564.db2.gz XXDHKHAKICYYFW-UHFFFAOYSA-N 0 0 272.323 3.125 20 10 CGCDRN O=C(Nc1cccc(NCc2ccccc2O)c1)C1CC1 ZINC000020093489 619766385 /nfs/dbraw/zinc/76/63/85/619766385.db2.gz YKWUYRVFUITCIY-UHFFFAOYSA-N 0 0 282.343 3.353 20 10 CGCDRN COc1ccc(NCc2cc(C)cc(OC)c2O)c(F)c1 ZINC000895417771 619823837 /nfs/dbraw/zinc/82/38/37/619823837.db2.gz HIIPBIFHLUPOAM-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN CC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895438663 619829566 /nfs/dbraw/zinc/82/95/66/619829566.db2.gz JTWBCRSOEQBHLE-UHFFFAOYSA-N 0 0 291.372 3.185 20 10 CGCDRN COCCCC1(C[N@@H+]2Cc3cccc(O)c3C2)CCC1 ZINC000895786028 619885501 /nfs/dbraw/zinc/88/55/01/619885501.db2.gz WIHHXCXJHROGCD-UHFFFAOYSA-N 0 0 275.392 3.305 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000895841248 619892427 /nfs/dbraw/zinc/89/24/27/619892427.db2.gz ADPDYUMAKLBNLK-MLGOLLRUSA-N 0 0 295.810 3.355 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+](C)CCCF)c1 ZINC000895895726 619905009 /nfs/dbraw/zinc/90/50/09/619905009.db2.gz DSGPMDDDEZPHCY-UHFFFAOYSA-N 0 0 290.176 3.255 20 10 CGCDRN C[C@@H]1C[C@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896522994 620021480 /nfs/dbraw/zinc/02/14/80/620021480.db2.gz VXDHKUFESRQTDG-DTWKUNHWSA-N 0 0 291.372 3.183 20 10 CGCDRN Cc1ccc(CN2CCn3nc(C(C)(C)C)cc3C2)c(O)c1 ZINC000896942591 620109584 /nfs/dbraw/zinc/10/95/84/620109584.db2.gz GYXGHTFPFPIWBR-UHFFFAOYSA-N 0 0 299.418 3.210 20 10 CGCDRN CC1=C(C)C[C@@H](C(=O)NCc2c(O)cccc2F)CC1 ZINC000928705621 620207704 /nfs/dbraw/zinc/20/77/04/620207704.db2.gz KHXSZZYGZDQEKV-LBPRGKRZSA-N 0 0 277.339 3.284 20 10 CGCDRN CC1=CC[C@](C)(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928710044 620208233 /nfs/dbraw/zinc/20/82/33/620208233.db2.gz GNOJLAJRQIKFBP-INIZCTEOSA-N 0 0 277.339 3.284 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000897375024 620276036 /nfs/dbraw/zinc/27/60/36/620276036.db2.gz JGAIJGGRSNUNAJ-NOZJJQNGSA-N 0 0 255.720 3.217 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000897387017 620279804 /nfs/dbraw/zinc/27/98/04/620279804.db2.gz ALFDRLIIBMHWJU-AWEZNQCLSA-N 0 0 299.773 3.376 20 10 CGCDRN Oc1c(Cl)cccc1CNc1cc(C2CC2)ncn1 ZINC000897391951 620282932 /nfs/dbraw/zinc/28/29/32/620282932.db2.gz GXISBELLAZOVMY-UHFFFAOYSA-N 0 0 275.739 3.325 20 10 CGCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])CC(C)C ZINC000841755617 620398522 /nfs/dbraw/zinc/39/85/22/620398522.db2.gz KJLUZBBLHHKSHV-YPMHNXCESA-N 0 0 269.360 3.243 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000897727836 620421635 /nfs/dbraw/zinc/42/16/35/620421635.db2.gz SXRAXRKUSGEKGI-AWEZNQCLSA-N 0 0 297.345 3.252 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC3(CC3)C2)c1 ZINC000897761640 620424577 /nfs/dbraw/zinc/42/45/77/620424577.db2.gz JLRLCFDUXMTCJM-AWEZNQCLSA-N 0 0 288.391 3.223 20 10 CGCDRN CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000897800336 620434796 /nfs/dbraw/zinc/43/47/96/620434796.db2.gz PQZQILYTFWZDSK-NSHDSACASA-N 0 0 296.392 3.064 20 10 CGCDRN CC(C)n1cncc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219563 620489244 /nfs/dbraw/zinc/48/92/44/620489244.db2.gz ZOPFPJFPGGRMRK-UHFFFAOYSA-N 0 0 279.771 3.113 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898318130 620511252 /nfs/dbraw/zinc/51/12/52/620511252.db2.gz OIUHJDYPVGXSDR-HNNXBMFYSA-N 0 0 290.313 3.306 20 10 CGCDRN CCOCc1cc(CNc2ccc(N)cc2)ccc1OC ZINC000841039741 620517428 /nfs/dbraw/zinc/51/74/28/620517428.db2.gz AEXHYRMTKDAENO-UHFFFAOYSA-N 0 0 286.375 3.426 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000903266163 621652949 /nfs/dbraw/zinc/65/29/49/621652949.db2.gz VQYJEIHFWUEQOO-PGUXBMHVSA-N 0 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PIMWOZTYGHZXLJ-UHFFFAOYSA-N 0 0 282.299 3.140 20 10 CGCDRN CCC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000182847277 625033433 /nfs/dbraw/zinc/03/34/33/625033433.db2.gz NGOOFXUBHVZXAI-UHFFFAOYSA-N 0 0 299.326 3.251 20 10 CGCDRN Cc1cc(O)c(CNCC(F)(F)F)c(Cl)c1 ZINC000840874314 635069885 /nfs/dbraw/zinc/06/98/85/635069885.db2.gz YFKXGWYMTHNIBW-UHFFFAOYSA-N 0 0 253.651 3.006 20 10 CGCDRN CCN(CC)c1ccc(CNc2nc3ccccn3n2)cc1 ZINC000186428924 625827790 /nfs/dbraw/zinc/82/77/90/625827790.db2.gz WIECOSKCCLIDHZ-UHFFFAOYSA-N 0 0 295.390 3.188 20 10 CGCDRN CC[C@H](C)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000056185464 625843209 /nfs/dbraw/zinc/84/32/09/625843209.db2.gz DKUXNYODUHVKOA-ZDUSSCGKSA-N 0 0 277.412 3.131 20 10 CGCDRN CC(C)n1ccc(CNCc2ccc3c(c2)CCCO3)n1 ZINC000921761781 625866261 /nfs/dbraw/zinc/86/62/61/625866261.db2.gz BEKQQUFCNQXAEZ-UHFFFAOYSA-N 0 0 285.391 3.079 20 10 CGCDRN Oc1ccc(Cl)cc1CN[C@H](c1ncccn1)C1CC1 ZINC000922578945 626015203 /nfs/dbraw/zinc/01/52/03/626015203.db2.gz FYDFNEZVVPVQQP-AWEZNQCLSA-N 0 0 289.766 3.077 20 10 CGCDRN C[C@@H]1Cc2cc(NCc3ccccc3O)ccc2O1 ZINC000922907217 626100573 /nfs/dbraw/zinc/10/05/73/626100573.db2.gz DTKFLEIQWMKXBV-LLVKDONJSA-N 0 0 255.317 3.328 20 10 CGCDRN CC(C)C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])N(C)C ZINC000124694665 634487264 /nfs/dbraw/zinc/48/72/64/634487264.db2.gz UZAQQMRGLNCBFZ-CYBMUJFWSA-N 0 0 284.831 3.112 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])N1CCCCC1 ZINC000124723250 634494249 /nfs/dbraw/zinc/49/42/49/634494249.db2.gz CTWHMSJXEFQEMB-LBPRGKRZSA-N 0 0 282.815 3.010 20 10 CGCDRN CC(C)=C(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000751350661 626385395 /nfs/dbraw/zinc/38/53/95/626385395.db2.gz HJTKNGLQALMWAC-UHFFFAOYSA-N 0 0 272.392 3.259 20 10 CGCDRN CC[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751932002 626412128 /nfs/dbraw/zinc/41/21/28/626412128.db2.gz RHAHFHMEIWBCTH-JTQLQIEISA-N 0 0 290.388 3.271 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ncccc2F)c1 ZINC000752766535 626438330 /nfs/dbraw/zinc/43/83/30/626438330.db2.gz ODIMAWDVFUSXDX-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN Cc1ccc(C)c(NC(=S)NCc2ncccc2F)c1 ZINC000752765834 626438335 /nfs/dbraw/zinc/43/83/35/626438335.db2.gz FGRXJUQUOAJTQV-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN COc1ccc(N(C)CC[C@@H]2CCCCO2)cc1F ZINC000754059766 626473759 /nfs/dbraw/zinc/47/37/59/626473759.db2.gz DHAAEWPYLWNQFH-ZDUSSCGKSA-N 0 0 267.344 3.230 20 10 CGCDRN C[C@@]1(c2ccccc2)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000755868348 626655681 /nfs/dbraw/zinc/65/56/81/626655681.db2.gz WIUKKJKMRDUQML-MRXNPFEDSA-N 0 0 287.384 3.258 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000756467784 626707511 /nfs/dbraw/zinc/70/75/11/626707511.db2.gz YONSOJCQUCVOKF-MBNYWOFBSA-N 0 0 291.391 3.408 20 10 CGCDRN Cc1ccc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000756571417 626716311 /nfs/dbraw/zinc/71/63/11/626716311.db2.gz ZFOIBDZYHRIHRL-NSHDSACASA-N 0 0 292.329 3.267 20 10 CGCDRN CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756575922 626716715 /nfs/dbraw/zinc/71/67/15/626716715.db2.gz RIHRYLSJSMRCFS-DZGCQCFKSA-N 0 0 294.414 3.446 20 10 CGCDRN CCCCN(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756577169 626717707 /nfs/dbraw/zinc/71/77/07/626717707.db2.gz QHLPHGQGUPNTBJ-LLVKDONJSA-N 0 0 286.366 3.053 20 10 CGCDRN C[C@H]([NH2+]CCCC(C)(C)CO)c1cc(F)cc(F)c1[O-] ZINC000756604791 626719921 /nfs/dbraw/zinc/71/99/21/626719921.db2.gz FPFAZOKPJPHYLM-JTQLQIEISA-N 0 0 287.350 3.120 20 10 CGCDRN C[C@H]([NH2+]CC(C1CC1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756618876 626721031 /nfs/dbraw/zinc/72/10/31/626721031.db2.gz UMUCHORHTGVTTQ-JTQLQIEISA-N 0 0 290.363 3.387 20 10 CGCDRN COc1ccc(F)cc1CN(C)c1ccc2c(c1)OCO2 ZINC000756655821 626724570 /nfs/dbraw/zinc/72/45/70/626724570.db2.gz YUTWBDMYIWBVLO-UHFFFAOYSA-N 0 0 289.306 3.199 20 10 CGCDRN CCC1(O)CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756662628 626725302 /nfs/dbraw/zinc/72/53/02/626725302.db2.gz DYDISKQQUMBXFC-WCVRRQIGSA-N 0 0 299.361 3.405 20 10 CGCDRN CCC[C@H](CC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756681175 626726218 /nfs/dbraw/zinc/72/62/18/626726218.db2.gz HSXXRAIITAKFLY-YPMHNXCESA-N 0 0 279.380 3.408 20 10 CGCDRN C[C@H]([NH2+]C1CCSCC1)c1cc(F)cc(F)c1[O-] ZINC000756682371 626726318 /nfs/dbraw/zinc/72/63/18/626726318.db2.gz BMPOUTXEBJCQMT-QMMMGPOBSA-N 0 0 273.348 3.217 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756734558 626728661 /nfs/dbraw/zinc/72/86/61/626728661.db2.gz XADAJJIKTHFKBB-MEBBXXQBSA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@H](Nc1ccc(CCO)cc1)c1cc(F)cc(F)c1O ZINC000756851279 626737904 /nfs/dbraw/zinc/73/79/04/626737904.db2.gz SBYWDNKKKOPESV-JTQLQIEISA-N 0 0 293.313 3.378 20 10 CGCDRN CCCOC(=O)[C@@H](C)N(C)c1ccc(OC)c(Cl)c1 ZINC000757857919 626810819 /nfs/dbraw/zinc/81/08/19/626810819.db2.gz STJIMAOEBFDBTM-SNVBAGLBSA-N 0 0 285.771 3.127 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CC23CCC3)C2CC2)cc1 ZINC000759700717 626915657 /nfs/dbraw/zinc/91/56/57/626915657.db2.gz SYLMCMULVUWYCA-QGZVFWFLSA-N 0 0 298.430 3.434 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(Cl)cs1 ZINC000760455489 626970978 /nfs/dbraw/zinc/97/09/78/626970978.db2.gz SNWKRJYBMUIULW-UHFFFAOYSA-N 0 0 267.737 3.037 20 10 CGCDRN CCC(CC)[C@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000761982037 627077802 /nfs/dbraw/zinc/07/78/02/627077802.db2.gz QNWIIJFJCFHZLE-NSHDSACASA-N 0 0 279.380 3.089 20 10 CGCDRN Cc1cc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1O ZINC000762687616 627120120 /nfs/dbraw/zinc/12/01/20/627120120.db2.gz JSQBRONICBVRSU-XQRVVYSFSA-N 0 0 299.326 3.072 20 10 CGCDRN COc1cccc(CNC(=O)/C=C(\C)C(C)(C)C)c1O ZINC000762803289 627125385 /nfs/dbraw/zinc/12/53/85/627125385.db2.gz NSPGJRDLGXXFOB-PKNBQFBNSA-N 0 0 277.364 3.009 20 10 CGCDRN CC(C)Oc1cc(O)ccc1NC(=O)C1=CC(=O)CS1 ZINC000762917217 627131600 /nfs/dbraw/zinc/13/16/00/627131600.db2.gz DWZLCPCBWACMRB-UHFFFAOYSA-N 0 0 293.344 3.199 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ncnc3c2CCCC3)cc1 ZINC000763325072 627151355 /nfs/dbraw/zinc/15/13/55/627151355.db2.gz PAPGIMQQHKHEAJ-UHFFFAOYSA-N 0 0 296.418 3.058 20 10 CGCDRN C/C=C\C[C@H](NCc1cc(Cl)ccc1O)C(=O)OCC ZINC000763361903 627153875 /nfs/dbraw/zinc/15/38/75/627153875.db2.gz NEMJXNVGQGMDSQ-DXTPNHAXSA-N 0 0 297.782 3.033 20 10 CGCDRN CC[C@@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CCO1 ZINC000768238718 627469936 /nfs/dbraw/zinc/46/99/36/627469936.db2.gz UNEXBOCOVVMRAO-OAHLLOKOSA-N 0 0 294.414 3.283 20 10 CGCDRN Cc1cccc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)n1 ZINC000768256406 627471005 /nfs/dbraw/zinc/47/10/05/627471005.db2.gz JTTVNFJOOHTTRC-ZDUSSCGKSA-N 0 0 288.372 3.134 20 10 CGCDRN CCC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000768291025 627472407 /nfs/dbraw/zinc/47/24/07/627472407.db2.gz OOIFXULGZWREDZ-UHFFFAOYSA-N 0 0 284.743 3.328 20 10 CGCDRN CCCN(Cc1cc(OC)c(C)cc1O)CC(F)(F)F ZINC000768439731 627479786 /nfs/dbraw/zinc/47/97/86/627479786.db2.gz MZAYXTQNRRVPTC-UHFFFAOYSA-N 0 0 291.313 3.484 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCCOC2)cc1Cl ZINC000768529739 627484734 /nfs/dbraw/zinc/48/47/34/627484734.db2.gz BRZDMKALFDNLKC-NSHDSACASA-N 0 0 269.772 3.211 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCc3ccc(O)cc3C2)c1O ZINC000768869202 627504807 /nfs/dbraw/zinc/50/48/07/627504807.db2.gz QYKXEHFXKBEECP-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN CCC/C=C/C(=O)N(CCC)Cc1ccccc1O ZINC000769293117 627536863 /nfs/dbraw/zinc/53/68/63/627536863.db2.gz UZBRMQQZOAQMBJ-IZZDOVSWSA-N 0 0 261.365 3.487 20 10 CGCDRN C[C@@H](Nc1cnn(C)c1C1CC1)c1cc(F)cc(F)c1O ZINC000769981610 627594459 /nfs/dbraw/zinc/59/44/59/627594459.db2.gz UABQSUXNXANVBI-MRVPVSSYSA-N 0 0 293.317 3.454 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncnc2c1CCCC2 ZINC000770467447 627620637 /nfs/dbraw/zinc/62/06/37/627620637.db2.gz BNDWLPUFJINXIR-UHFFFAOYSA-N 0 0 297.402 3.478 20 10 CGCDRN CCc1cc(N(CC)Cc2ccc(N(C)C)cc2)ncn1 ZINC000770472110 627621018 /nfs/dbraw/zinc/62/10/18/627621018.db2.gz FTRNGHSDUNLPET-UHFFFAOYSA-N 0 0 284.407 3.132 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000770509301 627623199 /nfs/dbraw/zinc/62/31/99/627623199.db2.gz KRTAAFKLACLFJQ-OAHLLOKOSA-N 0 0 254.333 3.124 20 10 CGCDRN Cc1ocnc1-c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000771724466 627728670 /nfs/dbraw/zinc/72/86/70/627728670.db2.gz JCSYPGOGYPPTIN-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN CCOc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000772295602 627781950 /nfs/dbraw/zinc/78/19/50/627781950.db2.gz ICBQEHUHIMZRIX-GFCCVEGCSA-N 0 0 286.379 3.114 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000772993863 627839006 /nfs/dbraw/zinc/83/90/06/627839006.db2.gz IVFQIZNVNAYEAX-AEFFLSMTSA-N 0 0 288.435 3.359 20 10 CGCDRN CC[C@@H](SC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773007755 627841247 /nfs/dbraw/zinc/84/12/47/627841247.db2.gz JEBHOXNIMGNYJA-SMDDNHRTSA-N 0 0 280.437 3.071 20 10 CGCDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000773014994 627842640 /nfs/dbraw/zinc/84/26/40/627842640.db2.gz MOTNKAUZMDYXTN-OLZOCXBDSA-N 0 0 274.408 3.366 20 10 CGCDRN CCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773019765 627842984 /nfs/dbraw/zinc/84/29/84/627842984.db2.gz ZQCPBNRAJUZCPC-GFCCVEGCSA-N 0 0 260.381 3.120 20 10 CGCDRN Cc1occc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773019562 627843166 /nfs/dbraw/zinc/84/31/66/627843166.db2.gz ZAHDHXXGDKUYCH-NSHDSACASA-N 0 0 272.348 3.145 20 10 CGCDRN CS[C@H](C)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018452 627843306 /nfs/dbraw/zinc/84/33/06/627843306.db2.gz LWYDFYVTWCQMPZ-OLZOCXBDSA-N 0 0 294.464 3.462 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773273713 627870498 /nfs/dbraw/zinc/87/04/98/627870498.db2.gz PCWHWSCGSWEPCS-DVOMOZLQSA-N 0 0 289.423 3.301 20 10 CGCDRN CSCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000773476988 627888933 /nfs/dbraw/zinc/88/89/33/627888933.db2.gz STZKRBDPWXGUMO-UHFFFAOYSA-N 0 0 296.417 3.015 20 10 CGCDRN C[C@@H](Nc1ncnc2ncccc21)c1ccc(N(C)C)cc1 ZINC000773898798 627926630 /nfs/dbraw/zinc/92/66/30/627926630.db2.gz GBONBTYKTUSTTP-GFCCVEGCSA-N 0 0 293.374 3.264 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160735 627954173 /nfs/dbraw/zinc/95/41/73/627954173.db2.gz APFBDNADLXHAMH-BDAKNGLRSA-N 0 0 289.206 3.054 20 10 CGCDRN CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(C)c1O ZINC000775643033 628118517 /nfs/dbraw/zinc/11/85/17/628118517.db2.gz RPWOIFPHFJNXDQ-BXUZGUMPSA-N 0 0 283.799 3.353 20 10 CGCDRN CC(C)(C)[N@@H+]1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000775664826 628121942 /nfs/dbraw/zinc/12/19/42/628121942.db2.gz AZRDLYRDDFQGLG-UHFFFAOYSA-N 0 0 296.842 3.352 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000775736032 628131194 /nfs/dbraw/zinc/13/11/94/628131194.db2.gz JLWVDBCWHHHCCS-TZMCWYRMSA-N 0 0 281.783 3.047 20 10 CGCDRN CCCC[C@@H](NCc1cc(Cl)cc(C)c1O)C(=O)OC ZINC000775978782 628155117 /nfs/dbraw/zinc/15/51/17/628155117.db2.gz IOMCYHZGHRKQDY-CYBMUJFWSA-N 0 0 299.798 3.175 20 10 CGCDRN CCn1nc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])c1C ZINC000776162132 628172326 /nfs/dbraw/zinc/17/23/26/628172326.db2.gz BPPOTSDUOOYDGE-UHFFFAOYSA-N 0 0 293.798 3.169 20 10 CGCDRN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776174303 628175845 /nfs/dbraw/zinc/17/58/45/628175845.db2.gz IAYZLVBZKDXWLT-LLVKDONJSA-N 0 0 291.778 3.472 20 10 CGCDRN CCC(C)(C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776243506 628183798 /nfs/dbraw/zinc/18/37/98/628183798.db2.gz COWXUILYHXXOIL-GFCCVEGCSA-N 0 0 277.412 3.301 20 10 CGCDRN C[C@H](NC(=O)N(C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000776237686 628183919 /nfs/dbraw/zinc/18/39/19/628183919.db2.gz HXEHVGZTJHRWBN-ZDUSSCGKSA-N 0 0 289.423 3.398 20 10 CGCDRN COc1cc(Cl)ccc1NC(=O)C1=CC(=O)CS1 ZINC000776268121 628186284 /nfs/dbraw/zinc/18/62/84/628186284.db2.gz AMKCHOKIGQVGGZ-UHFFFAOYSA-N 0 0 283.736 3.368 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C/c1scnc1C ZINC000776787785 628232525 /nfs/dbraw/zinc/23/25/25/628232525.db2.gz TZZLEDFOBLZBKV-CMDGGOBGSA-N 0 0 288.372 3.136 20 10 CGCDRN O=C1N[C@H](c2cccc(F)c2O)Nc2cccc(Cl)c21 ZINC000778526524 628354692 /nfs/dbraw/zinc/35/46/92/628354692.db2.gz WNMUBVALPAHQKD-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(F)cc(F)c1[O-] ZINC000779079096 628387475 /nfs/dbraw/zinc/38/74/75/628387475.db2.gz LTKQPUPROFKNOF-GXSJLCMTSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@H](N(C)C(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000779492304 628415485 /nfs/dbraw/zinc/41/54/85/628415485.db2.gz ITKCATZLFZVYNT-DVBBHNHCSA-N 0 0 277.364 3.004 20 10 CGCDRN C[C@@H](NC(=O)NC1CCCCCC1)c1ccccc1O ZINC000874985207 634667907 /nfs/dbraw/zinc/66/79/07/634667907.db2.gz OQDVBPPEVFNRCR-GFCCVEGCSA-N 0 0 276.380 3.475 20 10 CGCDRN CC(C)CC[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874985153 634668141 /nfs/dbraw/zinc/66/81/41/634668141.db2.gz CFWGOPKCHLARKM-LBPRGKRZSA-N 0 0 276.380 3.242 20 10 CGCDRN Cc1cc(C(F)(F)F)nc(Sc2nccs2)n1 ZINC000782048797 628612501 /nfs/dbraw/zinc/61/25/01/628612501.db2.gz NTOKUOTWQKRBGE-UHFFFAOYSA-N 0 0 277.296 3.412 20 10 CGCDRN C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccccc1O ZINC000783532839 628722368 /nfs/dbraw/zinc/72/23/68/628722368.db2.gz WMBZJTFVVKZQNR-GXTWGEPZSA-N 0 0 296.370 3.169 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCOC2CCC2)cc1 ZINC000805753544 628751251 /nfs/dbraw/zinc/75/12/51/628751251.db2.gz PXNVZHALFGPGQI-UHFFFAOYSA-N 0 0 263.381 3.479 20 10 CGCDRN Oc1ccc(CCNc2nc3c(cccc3F)o2)cc1O ZINC000784245795 628798168 /nfs/dbraw/zinc/79/81/68/628798168.db2.gz JEPULZGARGJNRG-UHFFFAOYSA-N 0 0 288.278 3.033 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc[nH]c1C1CC1 ZINC000786186557 628917552 /nfs/dbraw/zinc/91/75/52/628917552.db2.gz SGELDUCAXRMQQI-UHFFFAOYSA-N 0 0 297.402 3.197 20 10 CGCDRN CC[C@H](NCc1ccc(OC)c(C)c1)C(F)(F)F ZINC000786835830 628966742 /nfs/dbraw/zinc/96/67/42/628966742.db2.gz IMDKGKDOBICRGZ-LBPRGKRZSA-N 0 0 261.287 3.434 20 10 CGCDRN COC(=O)c1ccc(COc2ccc(N(C)C)cc2)cc1 ZINC000787906019 629034803 /nfs/dbraw/zinc/03/48/03/629034803.db2.gz KZNZVBYRXKPAIK-UHFFFAOYSA-N 0 0 285.343 3.118 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C(F)(F)F)o2)cc1C ZINC000788450331 629053609 /nfs/dbraw/zinc/05/36/09/629053609.db2.gz VVVWUFQDTJJIKL-UHFFFAOYSA-N 0 0 287.241 3.023 20 10 CGCDRN COCCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788526660 629062430 /nfs/dbraw/zinc/06/24/30/629062430.db2.gz KHRMPLGCWUWNTG-SNVBAGLBSA-N 0 0 291.313 3.488 20 10 CGCDRN CC(C)[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788662901 629070599 /nfs/dbraw/zinc/07/05/99/629070599.db2.gz DZWGOENGLBYNND-JOYOIKCWSA-N 0 0 291.313 3.079 20 10 CGCDRN CO[C@@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788754259 629078839 /nfs/dbraw/zinc/07/88/39/629078839.db2.gz AWBXVWYWRXUZFC-IUCAKERBSA-N 0 0 277.286 3.097 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)NC(C)C)cc1 ZINC000789752818 629166302 /nfs/dbraw/zinc/16/63/02/629166302.db2.gz HLLVYXCKYLFASY-UHFFFAOYSA-N 0 0 277.412 3.083 20 10 CGCDRN C/C=C(\CC)C(=O)NCCCSc1nccs1 ZINC000789766657 629166861 /nfs/dbraw/zinc/16/68/61/629166861.db2.gz RIEHYVHAIJKRLL-XCVCLJGOSA-N 0 0 270.423 3.098 20 10 CGCDRN COc1ccc(N(C)CCCC2CCOCC2)c(OC)c1 ZINC000790319458 629205189 /nfs/dbraw/zinc/20/51/89/629205189.db2.gz OWLZLVSJJQNUNT-UHFFFAOYSA-N 0 0 293.407 3.347 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C)c[nH]1 ZINC000862372197 629354914 /nfs/dbraw/zinc/35/49/14/629354914.db2.gz UCAJNKUXEBNDFL-UHFFFAOYSA-N 0 0 271.364 3.070 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000862755427 629430065 /nfs/dbraw/zinc/43/00/65/629430065.db2.gz SIBSBUBANKHIDF-CVEARBPZSA-N 0 0 281.355 3.121 20 10 CGCDRN CCCCSCCC(=O)NCc1cc(C)ccc1O ZINC000862760810 629431706 /nfs/dbraw/zinc/43/17/06/629431706.db2.gz WBPBZJRMHPVHNP-UHFFFAOYSA-N 0 0 281.421 3.240 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cnc(C(C)(C)C)nc1 ZINC000793568242 629485084 /nfs/dbraw/zinc/48/50/84/629485084.db2.gz BGWIQZPVGSHNFX-UHFFFAOYSA-N 0 0 297.402 3.345 20 10 CGCDRN Cc1cc(CNC(=O)CCCF)c(C)n1-c1ccccc1 ZINC000863163928 629488226 /nfs/dbraw/zinc/48/82/26/629488226.db2.gz UCYCGYVYAXUYAL-UHFFFAOYSA-N 0 0 288.366 3.460 20 10 CGCDRN COc1ccc(N(Cc2cc(C)ncn2)CC(C)C)cc1 ZINC000794410997 629540971 /nfs/dbraw/zinc/54/09/71/629540971.db2.gz CBBHBDUIIAPRKT-UHFFFAOYSA-N 0 0 285.391 3.456 20 10 CGCDRN CCCN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1F ZINC000875884382 634744820 /nfs/dbraw/zinc/74/48/20/634744820.db2.gz IJMKCMKMXFUQFY-HJWRWDBZSA-N 0 0 287.338 3.016 20 10 CGCDRN COc1ccc(CNc2ncnc3cccc(C)c32)c(O)c1 ZINC000795283552 629656380 /nfs/dbraw/zinc/65/63/80/629656380.db2.gz BMZDSXKDDSFCDS-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)ccc(F)c1F ZINC000864051039 629745581 /nfs/dbraw/zinc/74/55/81/629745581.db2.gz YWRLYUCGTBXKRK-HIFRSBDPSA-N 0 0 297.345 3.108 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)ccc(F)c1F ZINC000864052318 629746009 /nfs/dbraw/zinc/74/60/09/629746009.db2.gz HUONSUYKIOWNGH-ZFWWWQNUSA-N 0 0 297.345 3.108 20 10 CGCDRN CC1(C)CC(C(=O)NCCCSc2nccs2)C1 ZINC000796416343 629779338 /nfs/dbraw/zinc/77/93/38/629779338.db2.gz JZTMEQADRSECIH-UHFFFAOYSA-N 0 0 284.450 3.178 20 10 CGCDRN CCN(C)C(=O)CN(CCC(C)C)c1ccc(OC)cc1 ZINC000796509318 629791724 /nfs/dbraw/zinc/79/17/24/629791724.db2.gz KBUONODZTOFQOG-UHFFFAOYSA-N 0 0 292.423 3.026 20 10 CGCDRN COc1ccc(N(CCC(C)C)C[C@@H](O)CSC)cc1 ZINC000796511369 629792451 /nfs/dbraw/zinc/79/24/51/629792451.db2.gz XDNHAMHKJXRZJN-OAHLLOKOSA-N 0 0 297.464 3.272 20 10 CGCDRN Cc1scc(/C=C2\SC(=S)N(C)C2=O)c1C ZINC000864355986 629818650 /nfs/dbraw/zinc/81/86/50/629818650.db2.gz LELHRCWIVYWCPF-WTKPLQERSA-N 0 0 269.416 3.196 20 10 CGCDRN CC[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796716679 629819162 /nfs/dbraw/zinc/81/91/62/629819162.db2.gz MQXDDPMOHOTDEX-LLVKDONJSA-N 0 0 295.276 3.151 20 10 CGCDRN CC[C@@H](Nc1ccc(OC)nc1)c1ccc(F)cc1O ZINC000796857216 629849335 /nfs/dbraw/zinc/84/93/35/629849335.db2.gz RBSHSZSMFIEDOB-CYBMUJFWSA-N 0 0 276.311 3.498 20 10 CGCDRN CC[C@H](Nc1ccc(OC)cn1)c1ccc(F)cc1O ZINC000796892734 629854467 /nfs/dbraw/zinc/85/44/67/629854467.db2.gz ZDYLDNROQCMNQO-ZDUSSCGKSA-N 0 0 276.311 3.498 20 10 CGCDRN CC[C@H]([NH2+]CC1(OC)CCC1)c1ccc(F)cc1[O-] ZINC000796930786 629859616 /nfs/dbraw/zinc/85/96/16/629859616.db2.gz JBQVLEQUSJYBDT-ZDUSSCGKSA-N 0 0 267.344 3.141 20 10 CGCDRN CC[C@H]([NH2+]CCCOC(F)F)c1ccc(F)cc1[O-] ZINC000796988066 629869185 /nfs/dbraw/zinc/86/91/85/629869185.db2.gz AXPBJRJERCQNIS-NSHDSACASA-N 0 0 277.286 3.201 20 10 CGCDRN CC[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1[O-] ZINC000797054693 629878457 /nfs/dbraw/zinc/87/84/57/629878457.db2.gz YQQBGCPMUUAUCW-HNNXBMFYSA-N 0 0 299.349 3.420 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797579647 629963316 /nfs/dbraw/zinc/96/33/16/629963316.db2.gz RSBYKNIJXXVLCC-LSDHHAIUSA-N 0 0 288.391 3.112 20 10 CGCDRN CCc1occc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000797706603 629979309 /nfs/dbraw/zinc/97/93/09/629979309.db2.gz CMYZZSOXXBIGMG-UHFFFAOYSA-N 0 0 298.386 3.372 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2[nH]ccc2C)cc1 ZINC000797802070 629985299 /nfs/dbraw/zinc/98/52/99/629985299.db2.gz DLOYTVPXMUPYLN-UHFFFAOYSA-N 0 0 299.418 3.442 20 10 CGCDRN C[C@H](NC(=S)NC(C1CC1)C1CC1)c1ccccc1O ZINC000865270340 630043083 /nfs/dbraw/zinc/04/30/83/630043083.db2.gz QEJUABIBZWFRIY-JTQLQIEISA-N 0 0 290.432 3.106 20 10 CGCDRN C[C@H]1C[C@H]1c1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000865296298 630058750 /nfs/dbraw/zinc/05/87/50/630058750.db2.gz UXQSFIACGCTOJG-GXSJLCMTSA-N 0 0 290.342 3.010 20 10 CGCDRN COC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800570524 630292444 /nfs/dbraw/zinc/29/24/44/630292444.db2.gz QMSMAFBEXYIQKB-LLVKDONJSA-N 0 0 296.798 3.432 20 10 CGCDRN C/C=C(\CC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920620 630296739 /nfs/dbraw/zinc/29/67/39/630296739.db2.gz CHJLCIHAOAXJGX-LSRDKYIXSA-N 0 0 288.435 3.465 20 10 CGCDRN CC/C=C(\C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839922854 630308327 /nfs/dbraw/zinc/30/83/27/630308327.db2.gz ZQYXNYIRCGYLMB-NRUITVPNSA-N 0 0 288.435 3.465 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccsc1 ZINC000801065926 630322130 /nfs/dbraw/zinc/32/21/30/630322130.db2.gz GLEIEFVLNYACBJ-JTQLQIEISA-N 0 0 276.361 3.014 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ocnc1C ZINC000801552039 630343060 /nfs/dbraw/zinc/34/30/60/630343060.db2.gz XBXREWJNARIWDJ-UHFFFAOYSA-N 0 0 288.347 3.131 20 10 CGCDRN C[C@@H](Nc1ccc([C@H](C)O)cn1)c1ccc(N(C)C)cc1 ZINC000865685230 630359845 /nfs/dbraw/zinc/35/98/45/630359845.db2.gz XEXZLXLARFVSDY-OLZOCXBDSA-N 0 0 285.391 3.374 20 10 CGCDRN CCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000836818998 634808022 /nfs/dbraw/zinc/80/80/22/634808022.db2.gz MGCUEXNIVPFCQC-TUPIDYKKSA-N 0 0 291.391 3.442 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C)c2)c1 ZINC000802782027 630411259 /nfs/dbraw/zinc/41/12/59/630411259.db2.gz LVZCZQSJDGYTSE-SNVBAGLBSA-N 0 0 291.372 3.262 20 10 CGCDRN Oc1ccc(CCNc2cc(C(F)(F)F)ccn2)cc1O ZINC000804534963 630535180 /nfs/dbraw/zinc/53/51/80/630535180.db2.gz XTSJUWQWECWQID-UHFFFAOYSA-N 0 0 298.264 3.166 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccn(C)n1)c1cccc(Cl)c1[O-] ZINC000806149572 630549706 /nfs/dbraw/zinc/54/97/06/630549706.db2.gz FYNSHZZCTKRPJY-ZDUSSCGKSA-N 0 0 279.771 3.020 20 10 CGCDRN CC(=O)C(=O)CSCc1cccc2ccccc21 ZINC000808022821 630619155 /nfs/dbraw/zinc/61/91/55/630619155.db2.gz QHNBDZRTIVBOIX-UHFFFAOYSA-N 0 0 258.342 3.231 20 10 CGCDRN COc1ccc(CN[C@H](C2CC2)C(F)(F)F)cc1C ZINC000808438829 630645048 /nfs/dbraw/zinc/64/50/48/630645048.db2.gz OSBGIHAWDVVZEA-CYBMUJFWSA-N 0 0 273.298 3.434 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nocc2C)cc1 ZINC000878220342 635420671 /nfs/dbraw/zinc/42/06/71/635420671.db2.gz BIVULLUEYWBUEY-UHFFFAOYSA-N 0 0 260.337 3.408 20 10 CGCDRN C[C@@H](NCc1cc(F)ccc1O)c1c(F)cncc1F ZINC000809717279 630790162 /nfs/dbraw/zinc/79/01/62/630790162.db2.gz ZFVQVNPMNYJXNT-MRVPVSSYSA-N 0 0 282.265 3.055 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1oc(C)nc1C ZINC000809934713 630816067 /nfs/dbraw/zinc/81/60/67/630816067.db2.gz ZYLXGIRULGPVGT-UHFFFAOYSA-N 0 0 272.348 3.253 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ccn(C)c1 ZINC000811508296 631078768 /nfs/dbraw/zinc/07/87/68/631078768.db2.gz KICGINGDWXCVOI-UHFFFAOYSA-N 0 0 270.376 3.377 20 10 CGCDRN C[C@H]1CC(C)(C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000840243332 631135797 /nfs/dbraw/zinc/13/57/97/631135797.db2.gz CWDGSOIPAVTFQZ-ZDUSSCGKSA-N 0 0 289.423 3.083 20 10 CGCDRN 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CGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C(C)(C)C)cc1 ZINC000814254858 631564412 /nfs/dbraw/zinc/56/44/12/631564412.db2.gz LIIZPESVNMHTRM-UHFFFAOYSA-N 0 0 276.424 3.441 20 10 CGCDRN COc1ccc(N(C)CCC2(OC)CCC2)cc1OC ZINC000815023610 631704991 /nfs/dbraw/zinc/70/49/91/631704991.db2.gz CVYIRKOFSUDEMG-UHFFFAOYSA-N 0 0 279.380 3.099 20 10 CGCDRN CC(C)C1([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000815151989 631731999 /nfs/dbraw/zinc/73/19/99/631731999.db2.gz XCVDDHWFJWOFHW-UHFFFAOYSA-N 0 0 257.736 3.463 20 10 CGCDRN CCOC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815618927 631808038 /nfs/dbraw/zinc/80/80/38/631808038.db2.gz YCEUFINGJDHCKE-UWVGGRQHSA-N 0 0 291.313 3.487 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1[O-] ZINC000815642374 631810280 /nfs/dbraw/zinc/81/02/80/631810280.db2.gz AEQLMFJWLJYBIM-HZMBPMFUSA-N 0 0 290.338 3.434 20 10 CGCDRN O=C(NCc1ccccc1O)c1c(Cl)cncc1Cl ZINC000815833962 631827336 /nfs/dbraw/zinc/82/73/36/631827336.db2.gz MPXSSCDCVUYFPC-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN C[C@@H](NC(=O)c1sccc1F)c1ccc(N(C)C)cc1 ZINC000816180349 631895797 /nfs/dbraw/zinc/89/57/97/631895797.db2.gz MJLRZXOWBQGVPX-SNVBAGLBSA-N 0 0 292.379 3.444 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cc[nH]c(=O)c1 ZINC000816639184 632028191 /nfs/dbraw/zinc/02/81/91/632028191.db2.gz KLYPUEALPKLVIO-MRVPVSSYSA-N 0 0 296.729 3.136 20 10 CGCDRN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000817414850 632145381 /nfs/dbraw/zinc/14/53/81/632145381.db2.gz PFJQJKBHNKQYJI-KCJUWKMLSA-N 0 0 290.190 3.044 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3C[C@@]34CCOC4)cc12 ZINC000817760420 632223048 /nfs/dbraw/zinc/22/30/48/632223048.db2.gz BECOAQNTXLKUCB-CRAIPNDOSA-N 0 0 299.370 3.127 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCCOC3)cc12 ZINC000817762611 632223064 /nfs/dbraw/zinc/22/30/64/632223064.db2.gz WSPBXMZRKKDUMV-ZDUSSCGKSA-N 0 0 287.359 3.127 20 10 CGCDRN Cc1cc(N)cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000817981352 632271191 /nfs/dbraw/zinc/27/11/91/632271191.db2.gz 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/nfs/dbraw/zinc/64/18/20/632641820.db2.gz AIXMBLQBJWGOJC-SNVBAGLBSA-N 0 0 288.351 3.110 20 10 CGCDRN Cc1ccoc1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821843350 632833456 /nfs/dbraw/zinc/83/34/56/632833456.db2.gz QVVUUOFZAGIBTH-UHFFFAOYSA-N 0 0 298.386 3.047 20 10 CGCDRN CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000865872924 632932670 /nfs/dbraw/zinc/93/26/70/632932670.db2.gz WPFMJUVYFUWTMK-MAVJXHJTSA-N 0 0 296.418 3.087 20 10 CGCDRN CO[C@H](CN(C)c1ccc(OC(C)C)cc1)C1CC1 ZINC000822967807 633044336 /nfs/dbraw/zinc/04/43/36/633044336.db2.gz QPPQAJRROLWFJE-MRXNPFEDSA-N 0 0 263.381 3.335 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000866452656 633142275 /nfs/dbraw/zinc/14/22/75/633142275.db2.gz LQWSYGIZBKIOAS-OWYVNGRQSA-N 0 0 299.361 3.261 20 10 CGCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000866633769 633222419 /nfs/dbraw/zinc/22/24/19/633222419.db2.gz LSXMDGQQZXFRKK-MPKXVKKWSA-N 0 0 269.360 3.122 20 10 CGCDRN CC1(C)Cc2ccc(C(=O)NCc3ccccc3O)cc2O1 ZINC000866755458 633239435 /nfs/dbraw/zinc/23/94/35/633239435.db2.gz JDAIVVVUFXQSRL-UHFFFAOYSA-N 0 0 297.354 3.036 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000867503157 633248835 /nfs/dbraw/zinc/24/88/35/633248835.db2.gz GULHGSFDVBGJAN-PWGAFSCYSA-N 0 0 286.419 3.222 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000824596995 633263241 /nfs/dbraw/zinc/26/32/41/633263241.db2.gz NCTGWRAACBONAG-TVQRCGJNSA-N 0 0 289.778 3.335 20 10 CGCDRN Cc1cncc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)c1 ZINC000868162159 633300001 /nfs/dbraw/zinc/30/00/01/633300001.db2.gz DZPOEWVUVFTBCN-INIZCTEOSA-N 0 0 296.374 3.341 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])c2nccn21 ZINC000825017586 633318764 /nfs/dbraw/zinc/31/87/64/633318764.db2.gz VLXFSQWKYFAPGD-SKDRFNHKSA-N 0 0 277.755 3.038 20 10 CGCDRN C[C@H]1C[C@@H](NCc2c(O)cccc2Cl)c2nccn21 ZINC000825017554 633318814 /nfs/dbraw/zinc/31/88/14/633318814.db2.gz 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/nfs/dbraw/zinc/33/45/95/633334595.db2.gz BHUHIMWEYAOWKD-UHFFFAOYSA-N 0 0 278.739 3.201 20 10 CGCDRN CC(C)(O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825202620 633336333 /nfs/dbraw/zinc/33/63/33/633336333.db2.gz SKBOCZNZKZZCAV-UHFFFAOYSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1O ZINC000868798330 633364878 /nfs/dbraw/zinc/36/48/78/633364878.db2.gz JCHSKXRJYKLRDS-RFQIPJPRSA-N 0 0 288.391 3.189 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCC12CC2 ZINC000868848074 633371583 /nfs/dbraw/zinc/37/15/83/633371583.db2.gz UDRSSPKDUKSBSU-ZDUSSCGKSA-N 0 0 294.782 3.178 20 10 CGCDRN C/C(=C\C(=O)N1CCCc2ccc(C)cc21)c1cnccn1 ZINC000825827354 633382926 /nfs/dbraw/zinc/38/29/26/633382926.db2.gz QQVLXHGFAMYMEY-SDNWHVSQSA-N 0 0 293.370 3.168 20 10 CGCDRN Cc1noc(C(C)(C)NCc2cc(Cl)c(C)cc2O)n1 ZINC000825833438 633383252 /nfs/dbraw/zinc/38/32/52/633383252.db2.gz CFQBYTILKZIWBV-UHFFFAOYSA-N 0 0 295.770 3.070 20 10 CGCDRN C[C@]1(C2CC2)CN(Cc2cc(Cl)cc(F)c2[O-])CCO1 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ZINC000827964890 633542211 /nfs/dbraw/zinc/54/22/11/633542211.db2.gz ZDXQUFZDXVWKAQ-VIFPVBQESA-N 0 0 287.281 3.302 20 10 CGCDRN COc1ccc(N(Cc2cn(C)nc2C)CC(C)C)cc1 ZINC000828205948 633582579 /nfs/dbraw/zinc/58/25/79/633582579.db2.gz MBQRVQJPAVTXDX-UHFFFAOYSA-N 0 0 287.407 3.400 20 10 CGCDRN CC(C)[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000828539585 633626741 /nfs/dbraw/zinc/62/67/41/633626741.db2.gz QXNWMZQTJSNINR-XEZPLFJOSA-N 0 0 291.391 3.021 20 10 CGCDRN CC[C@@H](CC(C)C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000828885041 633665276 /nfs/dbraw/zinc/66/52/76/633665276.db2.gz RUJCUSWWWJPHEU-OCCSQVGLSA-N 0 0 293.407 3.217 20 10 CGCDRN CC(C)Oc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198184 633722804 /nfs/dbraw/zinc/72/28/04/633722804.db2.gz HEYUDTMIMOBWLZ-UHFFFAOYSA-N 0 0 297.354 3.335 20 10 CGCDRN C[C@@H]1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203339 633723858 /nfs/dbraw/zinc/72/38/58/633723858.db2.gz XZIQNYCOTGGPAA-NEPJUHHUSA-N 0 0 259.349 3.061 20 10 CGCDRN C/C(=C\C(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204678 633724053 /nfs/dbraw/zinc/72/40/53/633724053.db2.gz OWBYUEHSSVBZLP-DHZHZOJOSA-N 0 0 259.349 3.227 20 10 CGCDRN C[C@H]1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204142 633724275 /nfs/dbraw/zinc/72/42/75/633724275.db2.gz DFOQRGTUELHWQL-WCQYABFASA-N 0 0 259.349 3.061 20 10 CGCDRN CC(=O)[C@@H](C)CCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871204312 633724556 /nfs/dbraw/zinc/72/45/56/633724556.db2.gz XTSLRMIQTFWBPT-LBPRGKRZSA-N 0 0 289.375 3.020 20 10 CGCDRN O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1Cc2cccc(O)c2C1 ZINC000871204517 633724703 /nfs/dbraw/zinc/72/47/03/633724703.db2.gz FAYGJJAPMHQLTN-KOLCDFICSA-N 0 0 299.292 3.213 20 10 CGCDRN O=C(c1ccccc1OC1CC1)N1Cc2cccc(O)c2C1 ZINC000871204942 633725240 /nfs/dbraw/zinc/72/52/40/633725240.db2.gz LTVQOVXIFWWJPJ-UHFFFAOYSA-N 0 0 295.338 3.089 20 10 CGCDRN O=C([C@H]1C[C@]1(F)c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871205482 633725288 /nfs/dbraw/zinc/72/52/88/633725288.db2.gz FKZJGWWQLLNJDB-QAPCUYQASA-N 0 0 297.329 3.119 20 10 CGCDRN O=C([C@@H]1C[C@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871205193 633725410 /nfs/dbraw/zinc/72/54/10/633725410.db2.gz QXQNQLDPZNWWKA-LSDHHAIUSA-N 0 0 279.339 3.038 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)N2Cc3cccc(O)c3C2)[C@@H]1c1ccccc1 ZINC000871204982 633725781 /nfs/dbraw/zinc/72/57/81/633725781.db2.gz NJDVKNHRYDROMA-UYHISHBKSA-N 0 0 293.366 3.284 20 10 CGCDRN O=C(Cc1cccc(C2CC2)c1)N1Cc2cccc(O)c2C1 ZINC000871206116 633726803 /nfs/dbraw/zinc/72/68/03/633726803.db2.gz RUTXJDGELPOKCV-UHFFFAOYSA-N 0 0 293.366 3.355 20 10 CGCDRN COC(=O)c1cnc(S[C@@H](C)c2ncc(C)o2)s1 ZINC000829681148 633766069 /nfs/dbraw/zinc/76/60/69/633766069.db2.gz PAPVUAYCZDGEEA-ZETCQYMHSA-N 0 0 284.362 3.079 20 10 CGCDRN CCCC[C@@](C)(F)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000830540867 633869563 /nfs/dbraw/zinc/86/95/63/633869563.db2.gz OXINMZRSZCBMKL-MEDUHNTESA-N 0 0 297.370 3.496 20 10 CGCDRN CC(C)Nc1ccccc1NCCOC1CCOCC1 ZINC000871845606 633889873 /nfs/dbraw/zinc/88/98/73/633889873.db2.gz CCWNGTPDMMAPFY-UHFFFAOYSA-N 0 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ZINC000834906668 634282474 /nfs/dbraw/zinc/28/24/74/634282474.db2.gz RPNHTSDOPCSGPT-KBPBESRZSA-N 0 0 283.799 3.247 20 10 CGCDRN Cc1cc(N)cc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000873218065 634287711 /nfs/dbraw/zinc/28/77/11/634287711.db2.gz XZISADIPOWWRJM-UHFFFAOYSA-N 0 0 297.402 3.026 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2cnn(C)c2C2CC2)cc1 ZINC000835047737 634334422 /nfs/dbraw/zinc/33/44/22/634334422.db2.gz VNBJJWXMBWLDFL-SNAWJCMRSA-N 0 0 296.418 3.489 20 10 CGCDRN COc1c([O-])c(C[NH2+][C@H](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000835065467 634343292 /nfs/dbraw/zinc/34/32/92/634343292.db2.gz OJTXCKYTCVJZNQ-SNVBAGLBSA-N 0 0 296.367 3.223 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2ccc(C)nc21 ZINC000876488532 634845185 /nfs/dbraw/zinc/84/51/85/634845185.db2.gz DIOWEAYBZRYMIE-BQYQJAHWSA-N 0 0 299.399 3.148 20 10 CGCDRN CCc1nc(CN(C)Cc2c(C)cccc2O)cs1 ZINC000876641664 634873209 /nfs/dbraw/zinc/87/32/09/634873209.db2.gz MCJXOWKWTAUPMS-UHFFFAOYSA-N 0 0 276.405 3.352 20 10 CGCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(N)cc2)o1 ZINC000837303311 634881892 /nfs/dbraw/zinc/88/18/92/634881892.db2.gz GFPRMMFLVVVHBE-LRDDRELGSA-N 0 0 298.386 3.234 20 10 CGCDRN CC[C@H](CC(F)F)C(=O)NCc1ccc(N(C)C)cc1C ZINC000837423876 634906395 /nfs/dbraw/zinc/90/63/95/634906395.db2.gz KAALQKYDUHURSU-GFCCVEGCSA-N 0 0 298.377 3.359 20 10 CGCDRN CN(C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccc(N)cc1 ZINC000877074933 634972372 /nfs/dbraw/zinc/97/23/72/634972372.db2.gz VKEHQTFTLTXHBU-ZSHCYNCHSA-N 0 0 272.392 3.448 20 10 CGCDRN CCC[C@@H]1CCC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877075030 634972427 /nfs/dbraw/zinc/97/24/27/634972427.db2.gz YSJOTUOBKVZOQE-IUODEOHRSA-N 0 0 260.381 3.448 20 10 CGCDRN Cc1ccc(C(=O)N(C)c2ccc(N)cc2)c(C(C)C)n1 ZINC000877075035 634972968 /nfs/dbraw/zinc/97/29/68/634972968.db2.gz YXECEZCPKNYGGW-UHFFFAOYSA-N 0 0 283.375 3.372 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CC(=O)N(C)c1ccc(N)cc1 ZINC000877078184 634975886 /nfs/dbraw/zinc/97/58/86/634975886.db2.gz HLXVVEHBKGAPKZ-OLZOCXBDSA-N 0 0 260.381 3.448 20 10 CGCDRN COc1ccc(N(C)Cc2ccns2)cc1Cl ZINC000877182298 635009145 /nfs/dbraw/zinc/00/91/45/635009145.db2.gz XMLJSFZAMMNZCL-UHFFFAOYSA-N 0 0 268.769 3.442 20 10 CGCDRN Cc1cccc(O)c1CNc1cc2c(cc1C)OCO2 ZINC000877189078 635010961 /nfs/dbraw/zinc/01/09/61/635010961.db2.gz NHJJVQNDXNWWEA-UHFFFAOYSA-N 0 0 271.316 3.350 20 10 CGCDRN C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877317616 635024747 /nfs/dbraw/zinc/02/47/47/635024747.db2.gz UXUREYSYWVXIQK-JTQLQIEISA-N 0 0 278.302 3.258 20 10 CGCDRN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486033 635056350 /nfs/dbraw/zinc/05/63/50/635056350.db2.gz CLPNSUHTKFRPHH-APPZFPTMSA-N 0 0 295.251 3.443 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000840881661 635072339 /nfs/dbraw/zinc/07/23/39/635072339.db2.gz IRNWRTOKDMTRIU-DZKIICNBSA-N 0 0 283.387 3.368 20 10 CGCDRN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000877540316 635079986 /nfs/dbraw/zinc/07/99/86/635079986.db2.gz WFBSDNACPPXSJZ-SWLSCSKDSA-N 0 0 297.345 3.060 20 10 CGCDRN COCC[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840954760 635092621 /nfs/dbraw/zinc/09/26/21/635092621.db2.gz JXPGXOJXOLJTTR-SECBINFHSA-N 0 0 292.206 3.461 20 10 CGCDRN CCc1cccc(CNc2cnn3c2CCCC3)c1O ZINC000877692565 635148026 /nfs/dbraw/zinc/14/80/26/635148026.db2.gz ITMPOFJAZRMVPN-UHFFFAOYSA-N 0 0 271.364 3.100 20 10 CGCDRN CCC[C@@]1(COC)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841296428 635148883 /nfs/dbraw/zinc/14/88/83/635148883.db2.gz FDQPGCNIXDUYJQ-INIZCTEOSA-N 0 0 291.395 3.082 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCc3sccc3C2)cc1 ZINC000841300204 635149548 /nfs/dbraw/zinc/14/95/48/635149548.db2.gz MSMNYTKIHBEMMT-UHFFFAOYSA-N 0 0 287.388 3.311 20 10 CGCDRN CC(C)[C@@H](CNC(=O)Nc1ccc(N)cc1)c1cccnc1 ZINC000841300513 635150177 /nfs/dbraw/zinc/15/01/77/635150177.db2.gz SGVYNXNPAXTNIW-MRXNPFEDSA-N 0 0 298.390 3.225 20 10 CGCDRN Cc1ccc(F)cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702911 635154332 /nfs/dbraw/zinc/15/43/32/635154332.db2.gz JMLUYFRBGCJNDC-UHFFFAOYSA-N 0 0 257.308 3.356 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)OCC1CC1 ZINC000841571056 635192851 /nfs/dbraw/zinc/19/28/51/635192851.db2.gz WHKDNESPYMHVAK-ZDUSSCGKSA-N 0 0 290.407 3.128 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841751476 635225435 /nfs/dbraw/zinc/22/54/35/635225435.db2.gz NFLROJDDDDLEGW-LLVKDONJSA-N 0 0 285.815 3.495 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841753282 635226649 /nfs/dbraw/zinc/22/66/49/635226649.db2.gz GBPZQILZIFDBIR-SRVKXCTJSA-N 0 0 283.799 3.369 20 10 CGCDRN C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753258 635227366 /nfs/dbraw/zinc/22/73/66/635227366.db2.gz YGFVNVGBMHFMAU-QWRGUYRKSA-N 0 0 271.788 3.105 20 10 CGCDRN CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000841756309 635229600 /nfs/dbraw/zinc/22/96/00/635229600.db2.gz TYQSEUOOQNTJET-YPMHNXCESA-N 0 0 296.367 3.012 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841761231 635233114 /nfs/dbraw/zinc/23/31/14/635233114.db2.gz XIRPUGZUTJGZJE-JRPNMDOOSA-N 0 0 294.826 3.179 20 10 CGCDRN CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC(F)(F)C1 ZINC000877834357 635235072 /nfs/dbraw/zinc/23/50/72/635235072.db2.gz RQPVJOPTBLOIIV-UHFFFAOYSA-N 0 0 279.689 3.462 20 10 CGCDRN O=C1N[C@H](c2cc(Cl)c(F)cc2O)Nc2ccccc21 ZINC000877841179 635238460 /nfs/dbraw/zinc/23/84/60/635238460.db2.gz DPJKEPPHLGBLKX-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCC(=O)C3)cc12 ZINC000842820821 635482141 /nfs/dbraw/zinc/48/21/41/635482141.db2.gz DIKVUSUJSPYUOU-GFCCVEGCSA-N 0 0 285.343 3.070 20 10 CGCDRN CCOc1cccc(CN2CCNc3ccccc32)c1O ZINC000843124532 635561045 /nfs/dbraw/zinc/56/10/45/635561045.db2.gz GLOAANJDWJFTMO-UHFFFAOYSA-N 0 0 284.359 3.223 20 10 CGCDRN C[C@@H]1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158501 635587157 /nfs/dbraw/zinc/58/71/57/635587157.db2.gz DQUAKJPKALTBOF-ZYHUDNBSSA-N 0 0 257.337 3.146 20 10 CGCDRN Cc1ccc([C@@H](C)c2nc(Cc3ccc(N)cc3)no2)o1 ZINC000843158989 635588933 /nfs/dbraw/zinc/58/89/33/635588933.db2.gz JXPCFEXYYFWIBR-LLVKDONJSA-N 0 0 283.331 3.296 20 10 CGCDRN CC(C)c1ocnc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000843160209 635589009 /nfs/dbraw/zinc/58/90/09/635589009.db2.gz GMTUQBNBQOVFEM-UHFFFAOYSA-N 0 0 284.319 3.021 20 10 CGCDRN Nc1ccc(Cc2noc(C=C3CCCC3)n2)cc1 ZINC000843160428 635589431 /nfs/dbraw/zinc/58/94/31/635589431.db2.gz YEOPABGQUXIVGP-UHFFFAOYSA-N 0 0 255.321 3.200 20 10 CGCDRN CC(C)c1cc(NC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC000878824925 635637238 /nfs/dbraw/zinc/63/72/38/635637238.db2.gz SFXIEIZJBLNSHM-JTQLQIEISA-N 0 0 289.335 3.386 20 10 CGCDRN CCN(Cc1cccc(N)c1)c1ccc(OC)c(OC)c1 ZINC000843357500 635653369 /nfs/dbraw/zinc/65/33/69/635653369.db2.gz OCKBRAXEUSGGFW-UHFFFAOYSA-N 0 0 286.375 3.313 20 10 CGCDRN CN(C)c1ccc(CN2CC(C)(CC(F)F)C2)cc1F ZINC000843425248 635670244 /nfs/dbraw/zinc/67/02/44/635670244.db2.gz YZDIMBFWPKXIRO-UHFFFAOYSA-N 0 0 286.341 3.369 20 10 CGCDRN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC2(CCC2)O1 ZINC000843434581 635674894 /nfs/dbraw/zinc/67/48/94/635674894.db2.gz BHOBWDKBAMJYQQ-ZDUSSCGKSA-N 0 0 292.398 3.035 20 10 CGCDRN C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)c2c(O)cccc21 ZINC000843497924 635681789 /nfs/dbraw/zinc/68/17/89/635681789.db2.gz CZOSOJQPHSUILA-LBPRGKRZSA-N 0 0 296.370 3.057 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000843830102 635786936 /nfs/dbraw/zinc/78/69/36/635786936.db2.gz BQUMTHRRKNFRQS-SMDDNHRTSA-N 0 0 291.391 3.089 20 10 CGCDRN C[C@H](NCc1csc(Cl)n1)c1ccccc1O ZINC000879650508 635827025 /nfs/dbraw/zinc/82/70/25/635827025.db2.gz FJUBKXKUYOGXHH-QMMMGPOBSA-N 0 0 268.769 3.353 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCc2sc(Cl)cc2C1 ZINC000844146845 635827718 /nfs/dbraw/zinc/82/77/18/635827718.db2.gz JRAUKDSWDIWSGV-UHFFFAOYSA-N 0 0 299.804 3.367 20 10 CGCDRN COc1ccc(N(C)CCc2scnc2C)cc1 ZINC000844355794 635878965 /nfs/dbraw/zinc/87/89/65/635878965.db2.gz TVNKAVMQWBLGRR-UHFFFAOYSA-N 0 0 262.378 3.139 20 10 CGCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1C ZINC000844654090 635950735 /nfs/dbraw/zinc/95/07/35/635950735.db2.gz DWLRKPQIQYUEBK-LBPRGKRZSA-N 0 0 271.382 3.021 20 10 CGCDRN C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000128476932 636013208 /nfs/dbraw/zinc/01/32/08/636013208.db2.gz VIXOWMMVFQVJPC-ONGXEEELSA-N 0 0 284.197 3.433 20 10 CGCDRN C/C=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000105866895 636026862 /nfs/dbraw/zinc/02/68/62/636026862.db2.gz XYUXGHPLNBDALL-XVNBXDOJSA-N 0 0 272.392 3.211 20 10 CGCDRN CCc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000845642571 636063536 /nfs/dbraw/zinc/06/35/36/636063536.db2.gz OVKDUNWIQAXXNQ-UHFFFAOYSA-N 0 0 298.386 3.296 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1nnc(C2CC2)s1 ZINC000845709216 636084873 /nfs/dbraw/zinc/08/48/73/636084873.db2.gz ODOHVQDIMRNPOW-UHFFFAOYSA-N 0 0 281.768 3.387 20 10 CGCDRN O=C(/C=C/C1CCCCCC1)NCc1ccc(O)c(O)c1 ZINC000845835200 636105363 /nfs/dbraw/zinc/10/53/63/636105363.db2.gz WYLCJLDEGKDYIR-CSKARUKUSA-N 0 0 289.375 3.241 20 10 CGCDRN C[C@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000881441187 636109726 /nfs/dbraw/zinc/10/97/26/636109726.db2.gz SNYSDMYAQRQWFO-QWHCGFSZSA-N 0 0 291.391 3.165 20 10 CGCDRN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000846019076 636130406 /nfs/dbraw/zinc/13/04/06/636130406.db2.gz XKXLQPZGMBDVAY-IINYFYTJSA-N 0 0 285.815 3.241 20 10 CGCDRN COc1cccc([C@@H](C)N[C@H](C)C(F)(F)F)c1O ZINC000846173785 636153522 /nfs/dbraw/zinc/15/35/22/636153522.db2.gz USZFRVUCRBYOFB-HTQZYQBOSA-N 0 0 263.259 3.002 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000846214223 636160396 /nfs/dbraw/zinc/16/03/96/636160396.db2.gz QFXVKDFGMNJKLA-VHSXEESVSA-N 0 0 266.341 3.386 20 10 CGCDRN O=C(C[C@H]1C=CCCC1)NCc1cc(Cl)ccc1O ZINC000846473523 636187133 /nfs/dbraw/zinc/18/71/33/636187133.db2.gz MRWDSXXKQGSHBH-NSHDSACASA-N 0 0 279.767 3.408 20 10 CGCDRN CC1(C)CC(C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476860 636188660 /nfs/dbraw/zinc/18/86/60/636188660.db2.gz PEBHZUXINDKDPQ-UHFFFAOYSA-N 0 0 267.756 3.098 20 10 CGCDRN CCC/C=C/C(=O)NCc1cc(Cl)ccc1O ZINC000846481222 636189913 /nfs/dbraw/zinc/18/99/13/636189913.db2.gz ZVYNISSDDDGGRJ-SNAWJCMRSA-N 0 0 253.729 3.018 20 10 CGCDRN Nc1ccc(CCNC(=O)/C=C\C2CCCCCC2)cc1 ZINC000846666688 636215320 /nfs/dbraw/zinc/21/53/20/636215320.db2.gz VYFUEIXVOFAZMZ-XFXZXTDPSA-N 0 0 286.419 3.454 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(n1)C(=O)CC2 ZINC000881988164 636227252 /nfs/dbraw/zinc/22/72/52/636227252.db2.gz RUKICGAWZHRAQD-UHFFFAOYSA-N 0 0 295.386 3.197 20 10 CGCDRN CCN(Cc1ccc(C)nc1)c1ccc(OC)cc1 ZINC000846822744 636252269 /nfs/dbraw/zinc/25/22/69/636252269.db2.gz GCUZNEBAZQGKHG-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN C=C/C=C\CCSc1ncc(C(=O)OC)s1 ZINC000882173374 636277015 /nfs/dbraw/zinc/27/70/15/636277015.db2.gz HKSQZQJUESVQDB-PLNGDYQASA-N 0 0 255.364 3.154 20 10 CGCDRN COc1ccc(CNC(=O)c2ccc(C3CC3)cc2)c(O)c1 ZINC000846951124 636292952 /nfs/dbraw/zinc/29/29/52/636292952.db2.gz VWLIYPBUPNBHQH-UHFFFAOYSA-N 0 0 297.354 3.208 20 10 CGCDRN CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000847303338 636377822 /nfs/dbraw/zinc/37/78/22/636377822.db2.gz SKNHZOBPJNSHRI-UHFFFAOYSA-N 0 0 295.402 3.222 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)N2CCCCCC2)c1 ZINC000883086364 636536011 /nfs/dbraw/zinc/53/60/11/636536011.db2.gz SOGZBNRWBNTJGJ-LBPRGKRZSA-N 0 0 292.379 3.047 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(=O)OC(C)(C)C ZINC000848562347 636607554 /nfs/dbraw/zinc/60/75/54/636607554.db2.gz IBHVEJPSBPPSIW-QWRGUYRKSA-N 0 0 297.370 3.160 20 10 CGCDRN COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc(F)c1[O-] ZINC000848926499 636699231 /nfs/dbraw/zinc/69/92/31/636699231.db2.gz RBTOZRWCLGFQFP-LBPRGKRZSA-N 0 0 269.360 3.072 20 10 CGCDRN C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000848926265 636699411 /nfs/dbraw/zinc/69/94/11/636699411.db2.gz NWCDBLGEVQVMRR-JTQLQIEISA-N 0 0 294.757 3.301 20 10 CGCDRN CCN(Cc1cc(OC)ccc1O)c1ccccc1 ZINC000131755092 636745835 /nfs/dbraw/zinc/74/58/35/636745835.db2.gz IBMRJUJFKVXDHJ-UHFFFAOYSA-N 0 0 257.333 3.427 20 10 CGCDRN CN(C)C(=O)CCCCSc1ncc(Cl)s1 ZINC000849999796 636924978 /nfs/dbraw/zinc/92/49/78/636924978.db2.gz YIJVRCHYGYHGGU-UHFFFAOYSA-N 0 0 278.830 3.147 20 10 CGCDRN COCc1noc([C@@H](C)Sc2ncc(Cl)s2)n1 ZINC000850000229 636925054 /nfs/dbraw/zinc/92/50/54/636925054.db2.gz NGPUWONLPMLHFQ-RXMQYKEDSA-N 0 0 291.785 3.179 20 10 CGCDRN CC(C)n1ncnc1CSc1ncc(Cl)s1 ZINC000849999966 636925100 /nfs/dbraw/zinc/92/51/00/636925100.db2.gz DZNGUOOCKINJBL-UHFFFAOYSA-N 0 0 274.802 3.261 20 10 CGCDRN CC(C)(C)OC(=O)NCCSc1ncc(Cl)s1 ZINC000849999431 636925101 /nfs/dbraw/zinc/92/51/01/636925101.db2.gz REIUAHQNAMIHQW-UHFFFAOYSA-N 0 0 294.829 3.413 20 10 CGCDRN CN(C)c1nc(CSc2ncc(Cl)s2)ns1 ZINC000850000013 636925311 /nfs/dbraw/zinc/92/53/11/636925311.db2.gz GRZPWGRJQMUNFK-UHFFFAOYSA-N 0 0 292.842 3.006 20 10 CGCDRN COC1CC(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000850341569 637020330 /nfs/dbraw/zinc/02/03/30/637020330.db2.gz LBXORFCWDSPZGP-UHFFFAOYSA-N 0 0 287.762 3.089 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=S)NC2CC2)cc1 ZINC000007403532 637048612 /nfs/dbraw/zinc/04/86/12/637048612.db2.gz AZWVOPSUSHDLJS-UHFFFAOYSA-N 0 0 291.464 3.002 20 10 CGCDRN CC1(C)OCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000850409331 637051571 /nfs/dbraw/zinc/05/15/71/637051571.db2.gz RDBVQSNFXJZOPW-VIFPVBQESA-N 0 0 287.762 3.089 20 10 CGCDRN Cc1ccncc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000850506164 637094406 /nfs/dbraw/zinc/09/44/06/637094406.db2.gz HTANVNAJZVHYEO-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc(Cl)c1[O-] ZINC000850545106 637115483 /nfs/dbraw/zinc/11/54/83/637115483.db2.gz FAVLMZLCAVFWNG-BFHYXJOUSA-N 0 0 295.810 3.390 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc(Cl)c1[O-] ZINC000850545108 637115937 /nfs/dbraw/zinc/11/59/37/637115937.db2.gz FAVLMZLCAVFWNG-MELADBBJSA-N 0 0 295.810 3.390 20 10 CGCDRN CCSC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850553502 637118961 /nfs/dbraw/zinc/11/89/61/637118961.db2.gz XPVVIGWRHNMPNP-SNVBAGLBSA-N 0 0 296.392 3.237 20 10 CGCDRN C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850558084 637123504 /nfs/dbraw/zinc/12/35/04/637123504.db2.gz ZFZSLAXXZYABKO-YMTOWFKASA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000850571073 637128733 /nfs/dbraw/zinc/12/87/33/637128733.db2.gz MBSFTEYGAIQDCW-VHSXEESVSA-N 0 0 285.334 3.136 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885220611 637185036 /nfs/dbraw/zinc/18/50/36/637185036.db2.gz DCZFDTZDHZPGOQ-DGCLKSJQSA-N 0 0 277.389 3.104 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000886172210 637447532 /nfs/dbraw/zinc/44/75/32/637447532.db2.gz YIIWKZOBDCMARZ-YOEHRIQHSA-N 0 0 275.392 3.337 20 10 CGCDRN C[C@H]([NH2+]CCc1ccc(O)cc1)c1c([O-])cccc1F ZINC000886513098 637547931 /nfs/dbraw/zinc/54/79/31/637547931.db2.gz TXAKYRZQTMWUJJ-NSHDSACASA-N 0 0 275.323 3.130 20 10 CGCDRN CSCC[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530249 637557109 /nfs/dbraw/zinc/55/71/09/637557109.db2.gz HASVMIZVKMUCCH-UWVGGRQHSA-N 0 0 257.374 3.324 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886535248 637559902 /nfs/dbraw/zinc/55/99/02/637559902.db2.gz XBQKNKMAWSUTAY-SMDDNHRTSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1c([O-])cccc1F ZINC000886536733 637561480 /nfs/dbraw/zinc/56/14/80/637561480.db2.gz NVDZGEVPDUOVSJ-VXGBXAGGSA-N 0 0 274.339 3.381 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1c([O-])cccc1F ZINC000886550062 637575893 /nfs/dbraw/zinc/57/58/93/637575893.db2.gz RUZFGMSOZXSZNC-FZMZJTMJSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1cncc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886558504 637581790 /nfs/dbraw/zinc/58/17/90/637581790.db2.gz LXYSMSRJCOWDNO-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886561915 637583458 /nfs/dbraw/zinc/58/34/58/637583458.db2.gz MLVSNRKTZPFLPQ-UWVGGRQHSA-N 0 0 257.374 3.324 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1c([O-])cccc1F ZINC000886611140 637604959 /nfs/dbraw/zinc/60/49/59/637604959.db2.gz UMOOTUOMJVBGNW-MNOVXSKESA-N 0 0 269.385 3.325 20 10 CGCDRN CCN(C)c1ccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000852322431 637634635 /nfs/dbraw/zinc/63/46/35/637634635.db2.gz JEVNDBIYKGXALQ-SFHVURJKSA-N 0 0 288.435 3.144 20 10 CGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2ncc[nH]2)cc1 ZINC000138919481 637683833 /nfs/dbraw/zinc/68/38/33/637683833.db2.gz GQRDNQBNPTTXOP-ZDUSSCGKSA-N 0 0 272.396 3.107 20 10 CGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000852795742 637714957 /nfs/dbraw/zinc/71/49/57/637714957.db2.gz JTEAAMLPIUBSGM-ZBFHGGJFSA-N 0 0 274.408 3.144 20 10 CGCDRN COC(=O)c1cnc(SC[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000853020755 637736045 /nfs/dbraw/zinc/73/60/45/637736045.db2.gz JJWCURYTKSUKRQ-AYMMMOKOSA-N 0 0 269.391 3.068 20 10 CGCDRN C[C@@H]1CCc2ccccc2N1C(=O)C1=CC(=O)CS1 ZINC000854323998 638043123 /nfs/dbraw/zinc/04/31/23/638043123.db2.gz YAPPOWDQLQYUKS-SNVBAGLBSA-N 0 0 273.357 3.435 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1coc2ccccc12 ZINC000113418788 638205625 /nfs/dbraw/zinc/20/56/25/638205625.db2.gz UDFDPHIYJCVYBN-UHFFFAOYSA-N 0 0 281.311 3.411 20 10 CGCDRN Cc1cc(C(=O)NCC2CC(C)C2)c(C)n1-c1ccccn1 ZINC000857406672 638503801 /nfs/dbraw/zinc/50/38/01/638503801.db2.gz SOUJLIARGBJPFR-UHFFFAOYSA-N 0 0 297.402 3.265 20 10 CGCDRN CCC(C)(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281399 638514985 /nfs/dbraw/zinc/51/49/85/638514985.db2.gz IXVZBSZEGWXAAU-UHFFFAOYSA-N 0 0 262.397 3.113 20 10 CGCDRN Cc1ccncc1NCc1cc(F)c(N(C)C)cc1F ZINC000858154175 638645658 /nfs/dbraw/zinc/64/56/58/638645658.db2.gz ZKDBZXLJWDZGMT-UHFFFAOYSA-N 0 0 277.318 3.346 20 10 CGCDRN CCC1(CNC(=O)NCc2cc(C)ccc2O)CCC1 ZINC000858274559 638671126 /nfs/dbraw/zinc/67/11/26/638671126.db2.gz VVMHARDVNRLAIT-UHFFFAOYSA-N 0 0 276.380 3.080 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000858298616 638674468 /nfs/dbraw/zinc/67/44/68/638674468.db2.gz MSHDGUTYEPWGAE-IAQYHMDHSA-N 0 0 281.783 3.011 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)CCC2CC2)c1 ZINC000858366001 638694418 /nfs/dbraw/zinc/69/44/18/638694418.db2.gz VIXKSQRFHANOMW-LBPRGKRZSA-N 0 0 276.380 3.079 20 10 CGCDRN COC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000927096031 638841215 /nfs/dbraw/zinc/84/12/15/638841215.db2.gz IUYFBHVJMNTOIG-NEPJUHHUSA-N 0 0 269.360 3.101 20 10 CGCDRN C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(F)cc1[O-] ZINC000927165201 638849562 /nfs/dbraw/zinc/84/95/62/638849562.db2.gz ZYYYLOBNJNPRCW-XHDPSFHLSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCS[C@H](C)C1)c1ccccc1O ZINC000927228314 638850538 /nfs/dbraw/zinc/85/05/38/638850538.db2.gz DWBCHABKEFISMR-UTUOFQBUSA-N 0 0 294.420 3.037 20 10 CGCDRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928708386 638889178 /nfs/dbraw/zinc/88/91/78/638889178.db2.gz KLMHSFAQLQGLTG-GOPGUHFVSA-N 0 0 299.345 3.197 20 10 CGCDRN CC(C)CN(Cc1ccccn1)C(=O)C1=CC(=O)CS1 ZINC000928738454 638890212 /nfs/dbraw/zinc/89/02/12/638890212.db2.gz COUFXTBSPNTOPH-UHFFFAOYSA-N 0 0 290.388 3.147 20 10 CGCDRN CN(Cc1coc(C(C)(C)C)n1)c1ccc2c(c1)OCO2 ZINC000930093520 638973721 /nfs/dbraw/zinc/97/37/21/638973721.db2.gz MTRBFJKWMQILMY-UHFFFAOYSA-N 0 0 288.347 3.337 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000858584522 638998217 /nfs/dbraw/zinc/99/82/17/638998217.db2.gz SEDALFVYVAJPPI-GUBZILKMSA-N 0 0 289.297 3.239 20 10 CGCDRN CCCOC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000859192245 639104937 /nfs/dbraw/zinc/10/49/37/639104937.db2.gz LXJYHJNNGQFWTM-CYBMUJFWSA-N 0 0 278.396 3.128 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H]2C(F)F)c1O ZINC000931423119 639146774 /nfs/dbraw/zinc/14/67/74/639146774.db2.gz CBTKFTOXBNNMHY-NSHDSACASA-N 0 0 289.709 3.088 20 10 CGCDRN CC(C)c1nsc(CN[C@@H](C)c2ccccc2O)n1 ZINC000931557957 639170601 /nfs/dbraw/zinc/17/06/01/639170601.db2.gz MPZWLNBCXJBZBZ-JTQLQIEISA-N 0 0 277.393 3.218 20 10 CGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](C)C1(F)F ZINC000859696197 639193550 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/nfs/dbraw/zinc/44/27/91/640442791.db2.gz VIYYEMRKAOOSGJ-AWEZNQCLSA-N 0 0 289.423 3.227 20 10 CGCDRN CN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1O ZINC000193499347 640466237 /nfs/dbraw/zinc/46/62/37/640466237.db2.gz VKCBQGWDHGGENG-AWEZNQCLSA-N 0 0 288.734 3.242 20 10 CGCDRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nccs1 ZINC000193647758 640482706 /nfs/dbraw/zinc/48/27/06/640482706.db2.gz XKIJOODDLJGFLC-SNVBAGLBSA-N 0 0 290.413 3.213 20 10 CGCDRN CCOC(=O)[C@@H](Cc1ccccc1)Sc1nccs1 ZINC000194358011 640527466 /nfs/dbraw/zinc/52/74/66/640527466.db2.gz SFRVWWIYMVLVLL-GFCCVEGCSA-N 0 0 293.413 3.410 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000195601506 640590684 /nfs/dbraw/zinc/59/06/84/640590684.db2.gz YBXDPTQLBWFODJ-DCAQKATOSA-N 0 0 284.450 3.319 20 10 CGCDRN Cc1n[nH]cc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000093319366 640768190 /nfs/dbraw/zinc/76/81/90/640768190.db2.gz UMGUDCTWHAKSDI-UHFFFAOYSA-N 0 0 285.391 3.369 20 10 CGCDRN C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000303992731 640853035 /nfs/dbraw/zinc/85/30/35/640853035.db2.gz NIZIFLAMLCXHEK-MRXNPFEDSA-N 0 0 291.778 3.211 20 10 CGCDRN CCN(OC)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001155992472 805638684 /nfs/dbraw/zinc/63/86/84/805638684.db2.gz UMDROZSDJXBTSU-UHFFFAOYSA-N 0 0 290.338 3.257 20 10 CGCDRN C[C@H]1CCCC[C@H]1CC(=O)NCc1c(O)cccc1F ZINC001156170129 805662162 /nfs/dbraw/zinc/66/21/62/805662162.db2.gz HMCNTCPITQGDES-RYUDHWBXSA-N 0 0 279.355 3.364 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccc3ncccc3n2)cc1 ZINC001156924240 805752714 /nfs/dbraw/zinc/75/27/14/805752714.db2.gz SOYBPYLVLCXNPT-UHFFFAOYSA-N 0 0 292.386 3.332 20 10 CGCDRN Cc1ccoc1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001157042057 805768442 /nfs/dbraw/zinc/76/84/42/805768442.db2.gz VGZZZFTURRUOSC-UHFFFAOYSA-N 0 0 295.338 3.306 20 10 CGCDRN Oc1cc(-c2nc3ccccc3n2CC2CC2)cc(O)c1O ZINC001251248401 805871815 /nfs/dbraw/zinc/87/18/15/805871815.db2.gz PHPCHDKKDQXMIB-UHFFFAOYSA-N 0 0 296.326 3.230 20 10 CGCDRN CCCC[C@H](O)CNc1ccccc1OCC1CC1 ZINC001252104936 805998178 /nfs/dbraw/zinc/99/81/78/805998178.db2.gz LQUBCNVINICQGF-AWEZNQCLSA-N 0 0 263.381 3.438 20 10 CGCDRN Cc1cc(Cl)c(C)nc1NCc1ccc(O)c(O)c1 ZINC001158995307 806028546 /nfs/dbraw/zinc/02/85/46/806028546.db2.gz BYZKIWGNGMTYBW-UHFFFAOYSA-N 0 0 278.739 3.375 20 10 CGCDRN Oc1ccc(CNc2ccc3cccc(F)c3n2)cc1O ZINC001158997905 806028976 /nfs/dbraw/zinc/02/89/76/806028976.db2.gz UDBOPXDHCBKZBE-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC001159034069 806035574 /nfs/dbraw/zinc/03/55/74/806035574.db2.gz QNLRTWJODVHUHD-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN CCOC(=O)c1cnc(Cl)cc1Nc1ccc(N)cc1 ZINC001159222668 806060807 /nfs/dbraw/zinc/06/08/07/806060807.db2.gz ISWJDDLAIYGOOK-UHFFFAOYSA-N 0 0 291.738 3.238 20 10 CGCDRN COC(=O)c1cccc(Nc2ccc3c(c2)CCCN3)c1O ZINC001159637334 806136806 /nfs/dbraw/zinc/13/68/06/806136806.db2.gz VRJQLDDSNRICMG-UHFFFAOYSA-N 0 0 298.342 3.281 20 10 CGCDRN COC(=O)c1cc(F)c(Nc2ccc(N)cc2)c(C)c1F ZINC001159963187 806205890 /nfs/dbraw/zinc/20/58/90/806205890.db2.gz YLISNPOQNDBVLF-UHFFFAOYSA-N 0 0 292.285 3.386 20 10 CGCDRN Cc1cc(C)c(CNc2nc(Cl)nc(Cl)n2)c(O)c1 ZINC001160808334 806305392 /nfs/dbraw/zinc/30/53/92/806305392.db2.gz QCCSRUPWTAMUHH-UHFFFAOYSA-N 0 0 299.161 3.113 20 10 CGCDRN CCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001253938855 806321743 /nfs/dbraw/zinc/32/17/43/806321743.db2.gz XZEUSXIWFZAHKG-UHFFFAOYSA-N 0 0 253.305 3.480 20 10 CGCDRN Oc1cccc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)c1O ZINC001254512921 806432528 /nfs/dbraw/zinc/43/25/28/806432528.db2.gz LXWJKVXDZSIPAD-OLZOCXBDSA-N 0 0 294.310 3.419 20 10 CGCDRN Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cnn1C ZINC001254721674 806487103 /nfs/dbraw/zinc/48/71/03/806487103.db2.gz UGUGLBJWKCMLSS-RKDXNWHRSA-N 0 0 295.333 3.124 20 10 CGCDRN COc1ccc2nc(NCc3ccc(N)cc3)ccc2c1 ZINC001162784358 806664429 /nfs/dbraw/zinc/66/44/29/806664429.db2.gz LVIGGWGEESTZNE-UHFFFAOYSA-N 0 0 279.343 3.438 20 10 CGCDRN Nc1ccc(CNC(F)(F)Oc2cccc(Cl)n2)cc1 ZINC001162784709 806664804 /nfs/dbraw/zinc/66/48/04/806664804.db2.gz SQGQELAVPFBLAW-UHFFFAOYSA-N 0 0 299.708 3.036 20 10 CGCDRN Cc1ccc(C(=O)N(C)C)cc1NCc1ccccc1O ZINC000036998190 798855328 /nfs/dbraw/zinc/85/53/28/798855328.db2.gz ZIRXZBATQWIIIH-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCCCC2)c1[O-] ZINC000037322733 798866598 /nfs/dbraw/zinc/86/65/98/798866598.db2.gz ZTUIYKJHRGVPQG-UHFFFAOYSA-N 0 0 279.355 3.498 20 10 CGCDRN COCCOc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071408115 798916597 /nfs/dbraw/zinc/91/65/97/798916597.db2.gz SXRFZGMPXOYYRW-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN Oc1cccc(NCc2cc(Br)ccc2O)c1 ZINC000076275381 798924449 /nfs/dbraw/zinc/92/44/49/798924449.db2.gz JXOOPZQPVUTCBM-UHFFFAOYSA-N 0 0 294.148 3.472 20 10 CGCDRN Cc1cccc(C(=O)NCc2ccccc2O)c1Cl ZINC000159952071 799075079 /nfs/dbraw/zinc/07/50/79/799075079.db2.gz VWWXQLYPGNBDBE-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN C[N@H+](Cc1cccc(Br)c1[O-])C(C)(C)C ZINC000381925978 799389939 /nfs/dbraw/zinc/38/99/39/799389939.db2.gz NTORZSWXBJVYPX-UHFFFAOYSA-N 0 0 272.186 3.385 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H](C)OC ZINC000383066589 799400091 /nfs/dbraw/zinc/40/00/91/799400091.db2.gz FUUUWYROJHUSEP-JTQLQIEISA-N 0 0 299.798 3.105 20 10 CGCDRN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCC2(F)F)c1 ZINC000397990412 799524462 /nfs/dbraw/zinc/52/44/62/799524462.db2.gz IGWQQZJSSWBCSK-NOZJJQNGSA-N 0 0 271.307 3.239 20 10 CGCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC000398094399 799525911 /nfs/dbraw/zinc/52/59/11/799525911.db2.gz ZVZVIVXFZWEYFD-KCJUWKMLSA-N 0 0 290.190 3.356 20 10 CGCDRN CCC(CC)(CC)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407467 799689889 /nfs/dbraw/zinc/68/98/89/799689889.db2.gz SBIDUIDEUOJTCQ-NTMALXAHSA-N 0 0 291.391 3.444 20 10 CGCDRN C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(F)cc1[O-] ZINC000702441426 799909972 /nfs/dbraw/zinc/90/99/72/799909972.db2.gz WUUIAEPJGKMFEN-JTQLQIEISA-N 0 0 255.308 3.464 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC000703192368 799920064 /nfs/dbraw/zinc/92/00/64/799920064.db2.gz AOGMWAOFZHMWQI-CYBMUJFWSA-N 0 0 273.380 3.313 20 10 CGCDRN C[C@H](Cc1cccs1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703296149 799921061 /nfs/dbraw/zinc/92/10/61/799921061.db2.gz QPEYWMBPLYNTBK-SECBINFHSA-N 0 0 283.343 3.453 20 10 CGCDRN CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703259370 799921499 /nfs/dbraw/zinc/92/14/99/799921499.db2.gz XBWGQIFCCRUBKG-ZJUUUORDSA-N 0 0 273.348 3.044 20 10 CGCDRN [O-]c1c(C[NH2+]CCC2(F)CCC2)ccc(F)c1F ZINC000703259655 799921564 /nfs/dbraw/zinc/92/15/64/799921564.db2.gz NUXTYDLFRPUIGE-UHFFFAOYSA-N 0 0 259.271 3.042 20 10 CGCDRN CC1(C2([NH2+]Cc3ccc(F)c(F)c3[O-])CC2)CC1 ZINC000703294395 799922050 /nfs/dbraw/zinc/92/20/50/799922050.db2.gz HPPIVGNBDAUFML-UHFFFAOYSA-N 0 0 253.292 3.093 20 10 CGCDRN CC[C@]1(C)COCCN1Cc1cc(Cl)cc(OC)c1O ZINC000707688667 799978589 /nfs/dbraw/zinc/97/85/89/799978589.db2.gz FVHTWNUWWINEAK-OAHLLOKOSA-N 0 0 299.798 3.055 20 10 CGCDRN 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HNLRMPWVGFMBOX-CQSZACIVSA-N 0 0 278.352 3.359 20 10 CGCDRN COc1ccc2c(c1)CCN2C[C@H](Cc1ccccc1)OC ZINC001474386335 937856693 /nfs/dbraw/zinc/85/66/93/937856693.db2.gz BSHSASRJFAHGQV-SFHVURJKSA-N 0 0 297.398 3.315 20 10 CGCDRN Cc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])o1 ZINC001474412705 937858303 /nfs/dbraw/zinc/85/83/03/937858303.db2.gz CMGCTZCGNYKOOU-UHFFFAOYSA-N 0 0 267.275 3.204 20 10 CGCDRN O=C(CCC1CCCCCC1)NCc1cccc(O)c1O ZINC001520509716 938026141 /nfs/dbraw/zinc/02/61/41/938026141.db2.gz URVFENBMIDRTNB-UHFFFAOYSA-N 0 0 291.391 3.465 20 10 CGCDRN O=C(NC[C@H]1C[C@@H]1C1CCCC1)C1=CC(=O)CS1 ZINC001522616916 938037274 /nfs/dbraw/zinc/03/72/74/938037274.db2.gz MPLDOBHXPOXMII-ZYHUDNBSSA-N 0 0 265.378 3.010 20 10 CGCDRN C/C(=C\C(=O)N(C)c1cc(C)cc(C)c1)c1cnccn1 ZINC001527754162 938063465 /nfs/dbraw/zinc/06/34/65/938063465.db2.gz PWKKZNJJZDHTPH-GXDHUFHOSA-N 0 0 281.359 3.160 20 10 CGCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1cc(C)cc(C)c1 ZINC001534661435 938097259 /nfs/dbraw/zinc/09/72/59/938097259.db2.gz CNSPSGRDCQKDNA-VOTSOKGWSA-N 0 0 283.375 3.103 20 10 CGCDRN CCc1ccccc1C(=O)NCc1cc(C)ccc1O ZINC001557552776 938210660 /nfs/dbraw/zinc/21/06/60/938210660.db2.gz IHHFATIDROMVQE-UHFFFAOYSA-N 0 0 269.344 3.193 20 10 CGCDRN Cc1cc(F)c(C(=O)N2Cc3cccc(O)c3C2)c(F)c1 ZINC001558036011 938213288 /nfs/dbraw/zinc/21/32/88/938213288.db2.gz RNRUWFQOIUBJFS-UHFFFAOYSA-N 0 0 289.281 3.135 20 10 CGCDRN COc1ccc(CNCc2cc(C(C)C)no2)cc1C ZINC001560330588 938253724 /nfs/dbraw/zinc/25/37/24/938253724.db2.gz TZBMKNXPRXUWCK-UHFFFAOYSA-N 0 0 274.364 3.405 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CCc2c1cccc2F ZINC001560734443 938272930 /nfs/dbraw/zinc/27/29/30/938272930.db2.gz LCAIZDZGNPXHCD-UHFFFAOYSA-N 0 0 279.261 3.372 20 10 CGCDRN O=C1OCc2ccc(NCc3ccc(Cl)cc3O)cc21 ZINC001560870306 938281012 /nfs/dbraw/zinc/28/10/12/938281012.db2.gz DOUQZZYIZGCMST-UHFFFAOYSA-N 0 0 289.718 3.328 20 10 CGCDRN C[C@]1(CC[NH2+]Cc2cc(F)c(F)cc2[O-])CC1(F)F ZINC001560936415 938284997 /nfs/dbraw/zinc/28/49/97/938284997.db2.gz YNMJREODTBIKRW-LBPRGKRZSA-N 0 0 277.261 3.195 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2c(O)cccc2F)C[C@H]1C ZINC001564538430 960658433 /nfs/dbraw/zinc/65/84/33/960658433.db2.gz GQBYWHYRWAXQAA-UTUOFQBUSA-N 0 0 294.370 3.155 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c(O)c1O ZINC001570370610 961949981 /nfs/dbraw/zinc/94/99/81/961949981.db2.gz GONCWKBNQDBAIW-WXHSDQCUSA-N 0 0 291.391 3.351 20 10 CGCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1F ZINC001578223555 962577446 /nfs/dbraw/zinc/57/74/46/962577446.db2.gz CJCGEPGRBRFXCX-MRXNPFEDSA-N 0 0 286.350 3.218 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1CC2CCC1CC2 ZINC001583397657 962805678 /nfs/dbraw/zinc/80/56/78/962805678.db2.gz LANKFYFGGWWZPE-PGHLRGPGSA-N 0 0 279.405 3.398 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC001587451476 963199655 /nfs/dbraw/zinc/19/96/55/963199655.db2.gz WPVGHAAPJWDRDL-JARNTUPDSA-N 0 0 288.372 3.048 20 10 CGCDRN CCC(CC)(C[NH2+][C@@H](C)c1cc(C)ccc1O)C(=O)[O-] ZINC001595077872 979357636 /nfs/dbraw/zinc/35/76/36/979357636.db2.gz RMPOYFQWTJILQP-LBPRGKRZSA-N 0 0 279.380 3.242 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccccc1O ZINC001595317637 980495709 /nfs/dbraw/zinc/49/57/09/980495709.db2.gz YVJBPPVZPGVOIN-SCRDCRAPSA-N 0 0 277.364 3.076 20 10 CGCDRN C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593203445 994187337 /nfs/dbraw/zinc/18/73/37/994187337.db2.gz DSQMIAXGLQFCDH-HWPZZCPQSA-N 0 0 289.375 3.320 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC12CCC(CC1)C2 ZINC000366921267 530003440 /nfs/dbraw/zinc/00/34/40/530003440.db2.gz INCAULAYJCAPCN-UHFFFAOYSA-N 0 0 288.391 3.114 20 10 CGCDRN COc1cccc(CNc2ccncc2Cl)c1O ZINC000091479314 345815612 /nfs/dbraw/zinc/81/56/12/345815612.db2.gz BLWMTAXYCGMFCR-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN CC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000170677757 346197099 /nfs/dbraw/zinc/19/70/99/346197099.db2.gz DODADHSSUOPDNL-SFHVURJKSA-N 0 0 294.398 3.347 20 10 CGCDRN COc1ccc(N(CCC2OCCO2)[C@@H](C)C2CC2)cc1 ZINC000124947961 370929406 /nfs/dbraw/zinc/92/94/06/370929406.db2.gz VNZVTCPITABEBQ-ZDUSSCGKSA-N 0 0 291.391 3.063 20 10 CGCDRN O=C(/C=C/c1cccnc1)N1CCSc2ccccc21 ZINC000123126228 370909949 /nfs/dbraw/zinc/90/99/49/370909949.db2.gz UBGGXKPMXWNZQS-BQYQJAHWSA-N 0 0 282.368 3.234 20 10 CGCDRN Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(N)cc1 ZINC000019437060 368752327 /nfs/dbraw/zinc/75/23/27/368752327.db2.gz VANVKSPTLHMZLA-UHFFFAOYSA-N 0 0 280.371 3.099 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N1CCc2ccc(F)cc21 ZINC000493410675 244158028 /nfs/dbraw/zinc/15/80/28/244158028.db2.gz ACXPNVQAJVOXGB-PLNGDYQASA-N 0 0 288.347 3.193 20 10 CGCDRN CC[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411510 369219484 /nfs/dbraw/zinc/21/94/84/369219484.db2.gz BUOSEOJFEGSPPE-MRVPVSSYSA-N 0 0 258.159 3.043 20 10 CGCDRN CCN(C(=O)/C=C\c1cncs1)c1ccccc1OC ZINC000493671527 244208282 /nfs/dbraw/zinc/20/82/82/244208282.db2.gz BBKIWGIMOTXPBY-HJWRWDBZSA-N 0 0 288.372 3.218 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)NCc1ccccc1O ZINC000075308754 369903021 /nfs/dbraw/zinc/90/30/21/369903021.db2.gz LPWIWDJWTNQQTN-NEPJUHHUSA-N 0 0 264.369 3.016 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCC2)c1[O-] ZINC000135822176 371450526 /nfs/dbraw/zinc/45/05/26/371450526.db2.gz NBOIKOIUDWIEMR-UHFFFAOYSA-N 0 0 267.756 3.233 20 10 CGCDRN CCN(C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000286769195 371550392 /nfs/dbraw/zinc/55/03/92/371550392.db2.gz WFTWJNQNOXCTLK-UHFFFAOYSA-N 0 0 277.412 3.035 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCCO1 ZINC000293556835 372411451 /nfs/dbraw/zinc/41/14/51/372411451.db2.gz HQXAPLZKCSXXPE-OTYXRUKQSA-N 0 0 287.762 3.232 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000168864460 372621517 /nfs/dbraw/zinc/62/15/17/372621517.db2.gz RTXWIJMGWFSOGV-NEPJUHHUSA-N 0 0 253.411 3.493 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168863288 372621731 /nfs/dbraw/zinc/62/17/31/372621731.db2.gz UQVSOAPQGXMROY-WDEREUQCSA-N 0 0 269.410 3.193 20 10 CGCDRN CC1(C)C[C@@H](O)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295143977 372696045 /nfs/dbraw/zinc/69/60/45/372696045.db2.gz BZUWKLUEDQFSMO-LBPRGKRZSA-N 0 0 283.799 3.029 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C(C)C ZINC000172159414 372917469 /nfs/dbraw/zinc/91/74/69/372917469.db2.gz VEZOKKOYZZJUEE-ZDUSSCGKSA-N 0 0 263.381 3.423 20 10 CGCDRN CCC[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173187016 373103987 /nfs/dbraw/zinc/10/39/87/373103987.db2.gz BHOXJZWRFBDXQT-CYBMUJFWSA-N 0 0 290.407 3.304 20 10 CGCDRN Cc1ccc(C(C)(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000296831902 373250845 /nfs/dbraw/zinc/25/08/45/373250845.db2.gz BGUQKCBPLWUMEW-UHFFFAOYSA-N 0 0 282.387 3.171 20 10 CGCDRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(N)cc1 ZINC000297166292 373259123 /nfs/dbraw/zinc/25/91/23/373259123.db2.gz KAFRHWUCLDTYMS-KRWDZBQOSA-N 0 0 298.386 3.051 20 10 CGCDRN CC(C)CC1(C(=O)NCc2ccc(N)cc2)CCC1 ZINC000297245632 373260933 /nfs/dbraw/zinc/26/09/33/373260933.db2.gz QGNWPLMYOVJAHY-UHFFFAOYSA-N 0 0 260.381 3.101 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2ccc(N)cc2)c(C)c1 ZINC000297342325 373267649 /nfs/dbraw/zinc/26/76/49/373267649.db2.gz YMZIIXJTOZTOAG-UHFFFAOYSA-N 0 0 282.387 3.135 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000179780404 373917173 /nfs/dbraw/zinc/91/71/73/373917173.db2.gz NKHZDRNHHNACIW-NSHDSACASA-N 0 0 291.782 3.148 20 10 CGCDRN COc1cccc(CNc2ncnc3c(F)cccc23)c1O ZINC000302884967 373998289 /nfs/dbraw/zinc/99/82/89/373998289.db2.gz KOCRIMMDRJTWNG-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN CO[C@@H](C)CSc1ncc(-c2ccccc2)n1C ZINC000180754567 374042265 /nfs/dbraw/zinc/04/22/65/374042265.db2.gz UOEJAIOKILHRNY-NSHDSACASA-N 0 0 262.378 3.214 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(OC)c2O)cc1F ZINC000180772300 374044124 /nfs/dbraw/zinc/04/41/24/374044124.db2.gz AHLXLDORAFFKBO-UHFFFAOYSA-N 0 0 291.322 3.185 20 10 CGCDRN CC[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182463717 374276520 /nfs/dbraw/zinc/27/65/20/374276520.db2.gz WHRDNOHRGTXHBX-GFCCVEGCSA-N 0 0 277.364 3.059 20 10 CGCDRN COc1ccc(N(C)CCCn2ccnc2)cc1Cl ZINC000182850772 374336351 /nfs/dbraw/zinc/33/63/51/374336351.db2.gz GBZRHHAIMYFQEG-UHFFFAOYSA-N 0 0 279.771 3.072 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000471237684 375003193 /nfs/dbraw/zinc/00/31/93/375003193.db2.gz PBYYBXKDRBZHOC-HUUCEWRRSA-N 0 0 284.403 3.395 20 10 CGCDRN CCN(CC1CC1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472223038 375011311 /nfs/dbraw/zinc/01/13/11/375011311.db2.gz NDHBFGFHGHOVNP-UHFFFAOYSA-N 0 0 299.418 3.428 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2ccc(CO)o2)cc1 ZINC000192036971 375692726 /nfs/dbraw/zinc/69/27/26/375692726.db2.gz OTFUULGOJNLZIM-UHFFFAOYSA-N 0 0 275.348 3.196 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H](C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192866912 375795404 /nfs/dbraw/zinc/79/54/04/375795404.db2.gz SDIXGEGARDYZAY-JGVFFNPUSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1O ZINC000193073079 375822521 /nfs/dbraw/zinc/82/25/21/375822521.db2.gz VNAUELVKRZUSAI-TZMCWYRMSA-N 0 0 297.354 3.116 20 10 CGCDRN C[C@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000266148413 378016781 /nfs/dbraw/zinc/01/67/81/378016781.db2.gz JIGOUQTYGVMWSC-CQSZACIVSA-N 0 0 285.387 3.167 20 10 CGCDRN Cc1ccc(OCCC(=O)NCc2ccccc2O)cc1C ZINC000269166700 378193649 /nfs/dbraw/zinc/19/36/49/378193649.db2.gz WZRRASYSOYPJHU-UHFFFAOYSA-N 0 0 299.370 3.094 20 10 CGCDRN C[N@H+](Cc1cccc(F)c1[O-])C1Cc2ccccc2C1 ZINC000272332553 378613427 /nfs/dbraw/zinc/61/34/27/378613427.db2.gz WSHIATMSZDDMHZ-UHFFFAOYSA-N 0 0 271.335 3.131 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273450637 378744997 /nfs/dbraw/zinc/74/49/97/378744997.db2.gz FWJUPPOMKADAMI-BONVTDFDSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273406768 378746789 /nfs/dbraw/zinc/74/67/89/378746789.db2.gz ONYOMVFNOQAACM-WDEREUQCSA-N 0 0 287.319 3.107 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273496250 378750463 /nfs/dbraw/zinc/75/04/63/378750463.db2.gz PGQAMLPGZWLGFY-UWVGGRQHSA-N 0 0 284.381 3.093 20 10 CGCDRN Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)no1 ZINC000375023683 379484638 /nfs/dbraw/zinc/48/46/38/379484638.db2.gz VHZUPBJPPURFCJ-OAHLLOKOSA-N 0 0 272.348 3.334 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000281340180 379830159 /nfs/dbraw/zinc/83/01/59/379830159.db2.gz SPDCCUWNBBJRLY-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN Cc1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)no1 ZINC000282641938 379961051 /nfs/dbraw/zinc/96/10/51/379961051.db2.gz KMQIIXILMNTSQA-AWEZNQCLSA-N 0 0 285.391 3.434 20 10 CGCDRN CCN(Cc1ncnn1C(C)(C)C)c1ccc(OC)cc1 ZINC000282975102 380019030 /nfs/dbraw/zinc/01/90/30/380019030.db2.gz DCNCGZZVMRADDA-UHFFFAOYSA-N 0 0 288.395 3.068 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1c(C)noc1C ZINC000285445067 380147502 /nfs/dbraw/zinc/14/75/02/380147502.db2.gz YWMDBJNCPWFPPN-UHFFFAOYSA-N 0 0 288.347 3.049 20 10 CGCDRN CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(F)cc1[O-] ZINC000286232702 380179059 /nfs/dbraw/zinc/17/90/59/380179059.db2.gz SWOMSLMOAXWRAG-ZBFHGGJFSA-N 0 0 295.398 3.369 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000285522868 380150097 /nfs/dbraw/zinc/15/00/97/380150097.db2.gz BGMDPYPBMACWES-UGQVUOCMSA-N 0 0 293.382 3.386 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(C)CC1 ZINC000725849678 572443271 /nfs/dbraw/zinc/44/32/71/572443271.db2.gz UNNBNDZUISERSP-QMMMGPOBSA-N 0 0 284.743 3.232 20 10 CGCDRN O=C(Nc1cc(Cl)ccc1O)C1=CC(=O)CS1 ZINC000732275803 572456939 /nfs/dbraw/zinc/45/69/39/572456939.db2.gz BZRXOIZRTHKANG-UHFFFAOYSA-N 0 0 269.709 3.065 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C)c(O)c1 ZINC000186143708 262312332 /nfs/dbraw/zinc/31/23/32/262312332.db2.gz HQUFMQCOHNJACF-CHWSQXEVSA-N 0 0 265.397 3.148 20 10 CGCDRN CC(C)c1nnc(COc2ccc(N3CCCC3)cc2)o1 ZINC000132498301 392460290 /nfs/dbraw/zinc/46/02/90/392460290.db2.gz GODVCTOCIZLXQG-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(Cl)c1[O-] ZINC000287613499 392403290 /nfs/dbraw/zinc/40/32/90/392403290.db2.gz JJQJOKWNYMINIV-SMDDNHRTSA-N 0 0 282.815 3.181 20 10 CGCDRN Cc1cnc(NCCCSc2nccs2)nc1C ZINC000301874959 392599550 /nfs/dbraw/zinc/59/95/50/392599550.db2.gz GLDOWVIKJMSBBH-UHFFFAOYSA-N 0 0 280.422 3.144 20 10 CGCDRN CC(C)c1noc(COc2ccc(N3CCCC3)cc2)n1 ZINC000178194288 392674475 /nfs/dbraw/zinc/67/44/75/392674475.db2.gz FVWVVBBZJYYMSO-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000193804794 392886046 /nfs/dbraw/zinc/88/60/46/392886046.db2.gz LMEVHHMQSDIZLK-SNVBAGLBSA-N 0 0 269.385 3.468 20 10 CGCDRN CC(C)(C)CCS(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000232511722 393027500 /nfs/dbraw/zinc/02/75/00/393027500.db2.gz BETCXHJNAOVNLX-UHFFFAOYSA-N 0 0 291.800 3.224 20 10 CGCDRN Oc1ccccc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000281892820 393365819 /nfs/dbraw/zinc/36/58/19/393365819.db2.gz FAMKLIQNCXMQMG-NSHDSACASA-N 0 0 255.308 3.307 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273396622 292106196 /nfs/dbraw/zinc/10/61/96/292106196.db2.gz MBWLOMBUBFSDIR-LBPRGKRZSA-N 0 0 286.331 3.460 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(C)cc1O ZINC000020135804 171023433 /nfs/dbraw/zinc/02/34/33/171023433.db2.gz YZOBUHYKKJGGPB-JTQLQIEISA-N 0 0 259.353 3.224 20 10 CGCDRN CCN(CC(F)(F)C(F)F)c1ccc(OC)c(OC)c1 ZINC000736620874 572802209 /nfs/dbraw/zinc/80/22/09/572802209.db2.gz OJJMVMGLFDIFIL-UHFFFAOYSA-N 0 0 295.276 3.431 20 10 CGCDRN C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1O ZINC000192928824 227386233 /nfs/dbraw/zinc/38/62/33/227386233.db2.gz BLRIHLBRODETJJ-LBPRGKRZSA-N 0 0 296.370 3.458 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2nccnc2n1 ZINC000301305892 227508604 /nfs/dbraw/zinc/50/86/04/227508604.db2.gz UPOCRQKBTURYOY-UHFFFAOYSA-N 0 0 293.374 3.011 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ncc(Cl)cn1 ZINC000301503352 227564904 /nfs/dbraw/zinc/56/49/04/227564904.db2.gz YHPCHWWWNQRLCA-UHFFFAOYSA-N 0 0 276.771 3.117 20 10 CGCDRN CCOc1ccc(N[C@H](C)c2ccccc2O)cc1CO ZINC000037901496 260120135 /nfs/dbraw/zinc/12/01/35/260120135.db2.gz ORCRHCINFUFUQL-GFCCVEGCSA-N 0 0 287.359 3.456 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCCN2C)c1nccs1 ZINC000080265223 260179305 /nfs/dbraw/zinc/17/93/05/260179305.db2.gz OYWAKEKEPVNGBH-LBPRGKRZSA-N 0 0 287.432 3.376 20 10 CGCDRN Fc1nc(F)c(F)c(Sc2nccs2)c1F ZINC000080917909 260182066 /nfs/dbraw/zinc/18/20/66/260182066.db2.gz ABCFNZVLPMFMBX-UHFFFAOYSA-N 0 0 266.244 3.246 20 10 CGCDRN Cc1cccc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)c1 ZINC000427115122 260553447 /nfs/dbraw/zinc/55/34/47/260553447.db2.gz QOJKCZFIECKTAA-UHFFFAOYSA-N 0 0 294.358 3.000 20 10 CGCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccccc1C ZINC000160147330 261206666 /nfs/dbraw/zinc/20/66/66/261206666.db2.gz GABTVFVHOVCVQQ-ZHACJKMWSA-N 0 0 283.375 3.103 20 10 CGCDRN Cc1cccc(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000175079057 261594495 /nfs/dbraw/zinc/59/44/95/261594495.db2.gz KLYLEWIDWLIKBS-UHFFFAOYSA-N 0 0 282.387 3.299 20 10 CGCDRN Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185346409 262051836 /nfs/dbraw/zinc/05/18/36/262051836.db2.gz LDTOEPFYCKRJQF-RYUDHWBXSA-N 0 0 291.370 3.023 20 10 CGCDRN CCC[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000185430970 262054011 /nfs/dbraw/zinc/05/40/11/262054011.db2.gz LGHCPIJMPYXZNF-LBPRGKRZSA-N 0 0 277.364 3.201 20 10 CGCDRN CC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccccc1O ZINC000186421320 262092544 /nfs/dbraw/zinc/09/25/44/262092544.db2.gz WJRJAHGNOQZTEQ-UONOGXRCSA-N 0 0 275.348 3.150 20 10 CGCDRN CC(C)OCCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186529597 262316232 /nfs/dbraw/zinc/31/62/32/262316232.db2.gz GGINMOGEELKJCL-GFCCVEGCSA-N 0 0 269.360 3.387 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000272448116 263004528 /nfs/dbraw/zinc/00/45/28/263004528.db2.gz PJCOXIQCBHSCMW-AWEZNQCLSA-N 0 0 273.307 3.014 20 10 CGCDRN Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000277004651 263039228 /nfs/dbraw/zinc/03/92/28/263039228.db2.gz ZYVCCCGNLNHUSZ-BQBZGAKWSA-N 0 0 299.346 3.242 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000293868014 263151161 /nfs/dbraw/zinc/15/11/61/263151161.db2.gz IRHCFPRXORUFKV-VIFPVBQESA-N 0 0 289.803 3.418 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](CCC)OC ZINC000295884267 263183300 /nfs/dbraw/zinc/18/33/00/263183300.db2.gz GHHWUCGPMRCWFI-MRXNPFEDSA-N 0 0 293.407 3.336 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287895103 288047676 /nfs/dbraw/zinc/04/76/76/288047676.db2.gz ZGGNRVZXCSSIPL-CABZTGNLSA-N 0 0 257.761 3.121 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc(Cl)c1[O-] ZINC000287874041 288059655 /nfs/dbraw/zinc/05/96/55/288059655.db2.gz YBDIKCNXEKAFHL-FZMZJTMJSA-N 0 0 293.798 3.372 20 10 CGCDRN O=C1/C(=C\c2ccsc2)SC(=S)N1C1CC1 ZINC000281309690 280247530 /nfs/dbraw/zinc/24/75/30/280247530.db2.gz IJHHJNAHFKCNPS-WEVVVXLNSA-N 0 0 267.400 3.112 20 10 CGCDRN CC[C@@H]([NH2+]CCc1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000285510065 328247870 /nfs/dbraw/zinc/24/78/70/328247870.db2.gz APEYRCHMWCMKPA-OAHLLOKOSA-N 0 0 292.354 3.420 20 10 CGCDRN CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N)cc1 ZINC000296878621 328292479 /nfs/dbraw/zinc/29/24/79/328292479.db2.gz FHXQLFFGGCJUOZ-MRXNPFEDSA-N 0 0 290.407 3.013 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000378503336 329053401 /nfs/dbraw/zinc/05/34/01/329053401.db2.gz ZCOHJUUQHIIINM-NSHDSACASA-N 0 0 261.296 3.114 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCC3(C)COC3)cc12 ZINC000421186355 329806837 /nfs/dbraw/zinc/80/68/37/329806837.db2.gz FCONMMRLRGAUKB-UHFFFAOYSA-N 0 0 259.349 3.210 20 10 CGCDRN CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000527922891 330295950 /nfs/dbraw/zinc/29/59/50/330295950.db2.gz BXHBOJJZKMHPDH-DOMZBBRYSA-N 0 0 281.371 3.389 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000471237133 331504531 /nfs/dbraw/zinc/50/45/31/331504531.db2.gz TYZHQUFEEYBBJO-LSDHHAIUSA-N 0 0 282.387 3.149 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccn1)c1cc(C)cc(C)c1 ZINC000491211828 332167364 /nfs/dbraw/zinc/16/73/64/332167364.db2.gz HYBITYCQPFFYSX-AATRIKPKSA-N 0 0 281.359 3.160 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000529636468 333502414 /nfs/dbraw/zinc/50/24/14/333502414.db2.gz CHAJYLHJXHXFLO-JTQLQIEISA-N 0 0 287.762 3.091 20 10 CGCDRN COCCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000529639193 333502710 /nfs/dbraw/zinc/50/27/10/333502710.db2.gz ZBENVJCWUKQIOP-UHFFFAOYSA-N 0 0 283.799 3.294 20 10 CGCDRN CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000074018886 333982303 /nfs/dbraw/zinc/98/23/03/333982303.db2.gz NRRLFOUSWYKJRR-BQYQJAHWSA-N 0 0 297.314 3.056 20 10 CGCDRN C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000248534768 334305198 /nfs/dbraw/zinc/30/51/98/334305198.db2.gz WGBVOZAPDMFQBF-HUUCEWRRSA-N 0 0 276.424 3.307 20 10 CGCDRN CC(C)C(C)(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000275979198 519538525 /nfs/dbraw/zinc/53/85/25/519538525.db2.gz YCRBUPFMUWCXIW-UHFFFAOYSA-N 0 0 262.397 3.051 20 10 CGCDRN CCN(C)C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000268282537 520178074 /nfs/dbraw/zinc/17/80/74/520178074.db2.gz BQLRAUYXRGTBPO-UHFFFAOYSA-N 0 0 272.439 3.011 20 10 CGCDRN CCCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000128035521 520385385 /nfs/dbraw/zinc/38/53/85/520385385.db2.gz PEAKQDIWWDIQGL-UHFFFAOYSA-N 0 0 287.407 3.004 20 10 CGCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000295024080 520827217 /nfs/dbraw/zinc/82/72/17/520827217.db2.gz HPXBDZAJGNIJMA-TZMCWYRMSA-N 0 0 261.365 3.225 20 10 CGCDRN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000280103985 520858596 /nfs/dbraw/zinc/85/85/96/520858596.db2.gz NHVGBCIBCKWCNG-GHMZBOCLSA-N 0 0 286.366 3.051 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)CCCC(=O)[O-])cc1 ZINC000277369193 520911819 /nfs/dbraw/zinc/91/18/19/520911819.db2.gz QFCSPYPAJIPSHJ-CQSZACIVSA-N 0 0 292.423 3.266 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cc(C)no2)cc1 ZINC000299446738 521028141 /nfs/dbraw/zinc/02/81/41/521028141.db2.gz YFICBPWYKMNXPP-UHFFFAOYSA-N 0 0 260.337 3.408 20 10 CGCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236883533 521245987 /nfs/dbraw/zinc/24/59/87/521245987.db2.gz CVJYYXNRHNDDQF-HOCLYGCPSA-N 0 0 274.408 3.286 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)CCC1 ZINC000271080135 521316386 /nfs/dbraw/zinc/31/63/86/521316386.db2.gz QSFALJNYXFMSAJ-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCCO1 ZINC000088349524 521687916 /nfs/dbraw/zinc/68/79/16/521687916.db2.gz UMSAIGNYLHVMDJ-OAHLLOKOSA-N 0 0 291.391 3.090 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000080504621 522015576 /nfs/dbraw/zinc/01/55/76/522015576.db2.gz SGQLAGSRPDJMTE-CHWSQXEVSA-N 0 0 278.396 3.358 20 10 CGCDRN CN(C)c1ccc(CN(c2nnc(C3CC3)o2)C2CC2)cc1 ZINC000278379298 522175143 /nfs/dbraw/zinc/17/51/43/522175143.db2.gz LKDIGSBOROLJFX-UHFFFAOYSA-N 0 0 298.390 3.182 20 10 CGCDRN COC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000211400359 522475846 /nfs/dbraw/zinc/47/58/46/522475846.db2.gz STCDLIXLURNDHX-SECBINFHSA-N 0 0 290.190 3.167 20 10 CGCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000236915994 522696582 /nfs/dbraw/zinc/69/65/82/522696582.db2.gz GCZHGVUFJRJJRI-QGZVFWFLSA-N 0 0 298.386 3.087 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000279785401 523212681 /nfs/dbraw/zinc/21/26/81/523212681.db2.gz FRZTZQXQJYVIBJ-TZMCWYRMSA-N 0 0 261.365 3.225 20 10 CGCDRN CN(C(=O)CSc1nccs1)C1CCCCC1 ZINC000097335804 523840269 /nfs/dbraw/zinc/84/02/69/523840269.db2.gz LZZVOFJRRDHWND-UHFFFAOYSA-N 0 0 270.423 3.026 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1cccs1 ZINC000130527495 524086988 /nfs/dbraw/zinc/08/69/88/524086988.db2.gz HHXIWZHDPGIVRJ-LLVKDONJSA-N 0 0 275.373 3.216 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)cs2)cc1F ZINC000131430130 524355928 /nfs/dbraw/zinc/35/59/28/524355928.db2.gz RREUETFUHKUMGY-UHFFFAOYSA-N 0 0 266.341 3.236 20 10 CGCDRN COc1ccc(NCc2cc(OC)ccc2O)c(C)c1 ZINC000061566032 524680089 /nfs/dbraw/zinc/68/00/89/524680089.db2.gz OEDNICMUPJLDLM-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000292858045 524816607 /nfs/dbraw/zinc/81/66/07/524816607.db2.gz VALNCYAOGXTVDA-KWQFWETISA-N 0 0 290.190 3.044 20 10 CGCDRN Cc1ccc(O)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000078981731 525332962 /nfs/dbraw/zinc/33/29/62/525332962.db2.gz RAVKUXYSHVJFPE-UHFFFAOYSA-N 0 0 298.386 3.039 20 10 CGCDRN C[C@H](NCc1nccs1)c1ccc(N(C)C)cc1 ZINC000041012657 525492803 /nfs/dbraw/zinc/49/28/03/525492803.db2.gz BHRPRSLTYRESPJ-NSHDSACASA-N 0 0 261.394 3.060 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccnn1C(C)C ZINC000279622995 525530702 /nfs/dbraw/zinc/53/07/02/525530702.db2.gz KCVGQWHOOQTQBH-UHFFFAOYSA-N 0 0 271.364 3.035 20 10 CGCDRN C[C@H](Nc1ccc(CCO)cc1)c1cc(F)ccc1O ZINC000094617825 525651613 /nfs/dbraw/zinc/65/16/13/525651613.db2.gz DUEWDWKCVVLGOC-NSHDSACASA-N 0 0 275.323 3.239 20 10 CGCDRN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cccc(Cl)c1[O-] ZINC000289905101 525667423 /nfs/dbraw/zinc/66/74/23/525667423.db2.gz URCGLLJVKQUDQB-DOMZBBRYSA-N 0 0 294.826 3.104 20 10 CGCDRN C[C@@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO[C@H]1C1CC1 ZINC000365129957 525872382 /nfs/dbraw/zinc/87/23/82/525872382.db2.gz AMFXRXMNNKMEOS-LSDHHAIUSA-N 0 0 299.773 3.232 20 10 CGCDRN COc1cccc(CNc2ccc([N+](=O)[O-])cc2F)c1O ZINC000043473742 526043702 /nfs/dbraw/zinc/04/37/02/526043702.db2.gz FGOPZWDFBPCQRJ-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN Cc1cc(C(=O)NC(C)(C)C)c(C)n1-c1ccccn1 ZINC000298276874 526263554 /nfs/dbraw/zinc/26/35/54/526263554.db2.gz AINYWZKZGLNASL-UHFFFAOYSA-N 0 0 271.364 3.017 20 10 CGCDRN Cc1csc(CNCc2c(O)cccc2Cl)n1 ZINC000083551732 526358185 /nfs/dbraw/zinc/35/81/85/526358185.db2.gz HRMPBOXZGBDOHH-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCCO1 ZINC000048411070 527017070 /nfs/dbraw/zinc/01/70/70/527017070.db2.gz WZIGNMVPRMQSHE-CYBMUJFWSA-N 0 0 274.389 3.358 20 10 CGCDRN Nc1ccc(CC(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000262612370 527474621 /nfs/dbraw/zinc/47/46/21/527474621.db2.gz BOLKTXJRNHQHNS-UHFFFAOYSA-N 0 0 286.419 3.384 20 10 CGCDRN Nc1ccc(CC(=O)N(CC2CC2)c2ccccc2)cc1 ZINC000237880247 527474633 /nfs/dbraw/zinc/47/46/33/527474633.db2.gz DOBOXYPZMPBFKD-UHFFFAOYSA-N 0 0 280.371 3.255 20 10 CGCDRN CC[C@@H](C)CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000353405619 529309456 /nfs/dbraw/zinc/30/94/56/529309456.db2.gz PBXVWWGTDPRQCM-CYBMUJFWSA-N 0 0 290.407 3.304 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000728985687 571852286 /nfs/dbraw/zinc/85/22/86/571852286.db2.gz ZYJMUVDSTATIAE-GFCCVEGCSA-N 0 0 285.343 3.200 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)cc2)c1 ZINC000728983725 571852330 /nfs/dbraw/zinc/85/23/30/571852330.db2.gz DAUYCYMVUBIPDR-SNVBAGLBSA-N 0 0 289.306 3.031 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CCCCC2)c1 ZINC000728984179 571852375 /nfs/dbraw/zinc/85/23/75/571852375.db2.gz MWJHNDNGISQSQT-LLVKDONJSA-N 0 0 277.364 3.158 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2sccc2C)c1 ZINC000728983602 571852384 /nfs/dbraw/zinc/85/23/84/571852384.db2.gz BRCXQRILNAUAOH-JTQLQIEISA-N 0 0 291.372 3.262 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H]2CCOC2)cc1 ZINC000730401821 572350817 /nfs/dbraw/zinc/35/08/17/572350817.db2.gz IYHNBRAINNNZPB-MRXNPFEDSA-N 0 0 285.343 3.040 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H]2CCOC2)cc1 ZINC000730401820 572350916 /nfs/dbraw/zinc/35/09/16/572350916.db2.gz IYHNBRAINNNZPB-INIZCTEOSA-N 0 0 285.343 3.040 20 10 CGCDRN Cc1cc(C(=O)O[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000730401783 572351054 /nfs/dbraw/zinc/35/10/54/572351054.db2.gz GWODICUJTYXIEL-MRXNPFEDSA-N 0 0 299.370 3.348 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000732276732 572457145 /nfs/dbraw/zinc/45/71/45/572457145.db2.gz ZFLDFWWUDMBNGK-NXEZZACHSA-N 0 0 253.367 3.010 20 10 CGCDRN CCCCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345818 572409848 /nfs/dbraw/zinc/40/98/48/572409848.db2.gz KNHRKDWZFVLUQL-UHFFFAOYSA-N 0 0 280.387 3.478 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCc2ccccc21 ZINC000731867415 572432978 /nfs/dbraw/zinc/43/29/78/572432978.db2.gz KBGSXRQKRYJFEW-ZDUSSCGKSA-N 0 0 273.357 3.213 20 10 CGCDRN O=C(Nc1cnc2ccccc2c1)C1=CC(=O)CS1 ZINC000731867441 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/nfs/dbraw/zinc/25/16/96/624251696.db2.gz BUEKTGVFYAGWOB-UHFFFAOYSA-N 0 0 259.396 3.096 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCF ZINC000154477337 624304959 /nfs/dbraw/zinc/30/49/59/624304959.db2.gz ACKXEDYLXNWFIL-UHFFFAOYSA-N 0 0 280.368 3.245 20 10 CGCDRN CC(=O)NCCCCCSc1ncc(Cl)s1 ZINC000918086022 624332242 /nfs/dbraw/zinc/33/22/42/624332242.db2.gz DHGIPMNDSYWKNJ-UHFFFAOYSA-N 0 0 278.830 3.195 20 10 CGCDRN Oc1ccccc1CN1CC2(CC2)c2ccccc21 ZINC000180754348 624771563 /nfs/dbraw/zinc/77/15/63/624771563.db2.gz WPGSGTUUZZXYNU-UHFFFAOYSA-N 0 0 251.329 3.444 20 10 CGCDRN C[C@@H]1CCC[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180811364 624775069 /nfs/dbraw/zinc/77/50/69/624775069.db2.gz VZJMCKKJOHIGFF-PYISVCGKSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1cccc2c1CCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180993290 624795955 /nfs/dbraw/zinc/79/59/55/624795955.db2.gz LECSTYFHHRJKQU-SOFGYWHQSA-N 0 0 295.338 3.009 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3n[nH]cc3c2)c1 ZINC000071407489 625090816 /nfs/dbraw/zinc/09/08/16/625090816.db2.gz UCVLUOIDAPUGRT-UHFFFAOYSA-N 0 0 253.305 3.189 20 10 CGCDRN CC(C)c1nccc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000184147272 625204941 /nfs/dbraw/zinc/20/49/41/625204941.db2.gz FNKVCVUASGHVBC-LLVKDONJSA-N 0 0 287.363 3.054 20 10 CGCDRN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cscn1 ZINC000922240301 625988603 /nfs/dbraw/zinc/98/86/03/625988603.db2.gz FDFPGKNQCRQWPC-LLVKDONJSA-N 0 0 274.389 3.319 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475878 626094375 /nfs/dbraw/zinc/09/43/75/626094375.db2.gz PBZAIQLIMSODLV-VXGBXAGGSA-N 0 0 276.336 3.307 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCc1cn[nH]c1 ZINC000788098779 626204702 /nfs/dbraw/zinc/20/47/02/626204702.db2.gz KVQJDTZOLIZYJF-UHFFFAOYSA-N 0 0 270.361 3.103 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C12CCC2 ZINC000839180765 626326305 /nfs/dbraw/zinc/32/63/05/626326305.db2.gz WIGRSAWDPJOVIG-UONOGXRCSA-N 0 0 299.773 3.232 20 10 CGCDRN CCN(C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000804944843 626366021 /nfs/dbraw/zinc/36/60/21/626366021.db2.gz JHEKZLPEYCVBKL-UHFFFAOYSA-N 0 0 277.412 3.036 20 10 CGCDRN CC(C)=C(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000751366254 626386997 /nfs/dbraw/zinc/38/69/97/626386997.db2.gz WBTSPDJVSFIVOA-UHFFFAOYSA-N 0 0 272.392 3.042 20 10 CGCDRN CCN(CC[C@H]1CCCCO1)c1ccc(OC)cc1 ZINC000754060461 626473843 /nfs/dbraw/zinc/47/38/43/626473843.db2.gz OJYYSOZZAFUDJR-MRXNPFEDSA-N 0 0 263.381 3.481 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CC3(CC3)c3ccccc32)cn1 ZINC000754289825 626566310 /nfs/dbraw/zinc/56/63/10/626566310.db2.gz CNSOLHZPBUIXDB-HJWRWDBZSA-N 0 0 290.366 3.482 20 10 CGCDRN Cc1nc(CN(C)Cc2ccc(N(C)C)cc2)sc1C ZINC000756043097 626671720 /nfs/dbraw/zinc/67/17/20/626671720.db2.gz YTLLEESLEOREBL-UHFFFAOYSA-N 0 0 289.448 3.458 20 10 CGCDRN C[C@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000756299465 626690251 /nfs/dbraw/zinc/69/02/51/626690251.db2.gz ZKOHRBIJBFPGQD-UONOGXRCSA-N 0 0 292.423 3.122 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CCCCC2)c1 ZINC000756344811 626693776 /nfs/dbraw/zinc/69/37/76/626693776.db2.gz VXGISUGZEARJFV-GFCCVEGCSA-N 0 0 291.391 3.410 20 10 CGCDRN Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756455857 626706828 /nfs/dbraw/zinc/70/68/28/626706828.db2.gz BEMQMMBDMLTVOA-OQPBUACISA-N 0 0 290.338 3.474 20 10 CGCDRN Cc1ccnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000756486023 626709003 /nfs/dbraw/zinc/70/90/03/626709003.db2.gz DQOKGAFIYAGJFP-UHFFFAOYSA-N 0 0 298.434 3.262 20 10 CGCDRN C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000756556984 626714383 /nfs/dbraw/zinc/71/43/83/626714383.db2.gz ZAJPOHGPRSBOEQ-HZSPNIEDSA-N 0 0 294.414 3.445 20 10 CGCDRN C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756562686 626715252 /nfs/dbraw/zinc/71/52/52/626715252.db2.gz IHLBIPPQJLBFDQ-MRVPVSSYSA-N 0 0 290.190 3.265 20 10 CGCDRN COc1ccc(N(Cc2nccc(C)n2)CC(C)C)cc1 ZINC000756583249 626718243 /nfs/dbraw/zinc/71/82/43/626718243.db2.gz 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/nfs/dbraw/zinc/72/83/44/626728344.db2.gz PZCLFSWFSXKCLD-VIFPVBQESA-N 0 0 298.358 3.410 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756764655 626729846 /nfs/dbraw/zinc/72/98/46/626729846.db2.gz JUDGVZOIMQJVLH-JQWIXIFHSA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756779847 626731081 /nfs/dbraw/zinc/73/10/81/626731081.db2.gz NBPSGZKADOVYMN-BBBLOLIVSA-N 0 0 285.334 3.277 20 10 CGCDRN C[C@H](CO)CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756786230 626731967 /nfs/dbraw/zinc/73/19/67/626731967.db2.gz ZHSJFACABKXGNL-GMXVVIOVSA-N 0 0 281.371 3.078 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756789461 626732757 /nfs/dbraw/zinc/73/27/57/626732757.db2.gz HJZSWOZGSHDUCR-WPRPVWTQSA-N 0 0 275.364 3.463 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000756817541 626734325 /nfs/dbraw/zinc/73/43/25/626734325.db2.gz KNIDTAQTPZVZOP-MNOVXSKESA-N 0 0 277.364 3.018 20 10 CGCDRN COc1ccc(N[C@H](C)c2cc(F)ccc2O)nc1 ZINC000756845131 626737113 /nfs/dbraw/zinc/73/71/13/626737113.db2.gz PDVSVRKVFLFFQK-SECBINFHSA-N 0 0 262.284 3.108 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000756851254 626737739 /nfs/dbraw/zinc/73/77/39/626737739.db2.gz QXWHIPBREFWSOY-MWLCHTKSSA-N 0 0 299.317 3.017 20 10 CGCDRN O=C(OCc1ccc2ccccc2n1)c1cccc(O)c1O ZINC000758560529 626849104 /nfs/dbraw/zinc/84/91/04/626849104.db2.gz MCVZQHBQYLAOPV-UHFFFAOYSA-N 0 0 295.294 3.003 20 10 CGCDRN CCC(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000758788433 626859844 /nfs/dbraw/zinc/85/98/44/626859844.db2.gz FAGQSTUMBNUMRX-UHFFFAOYSA-N 0 0 291.439 3.296 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CC23CCC3)C2CC2)cc1 ZINC000759700716 626915923 /nfs/dbraw/zinc/91/59/23/626915923.db2.gz SYLMCMULVUWYCA-KRWDZBQOSA-N 0 0 298.430 3.434 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760042168 626938095 /nfs/dbraw/zinc/93/80/95/626938095.db2.gz TYZARXRSEOHBIC-YGRLFVJLSA-N 0 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NVHFXXULDUVQBN-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN C[C@@H]1[N@H+](Cc2cc3c(cc2O)CCCC3)CCOC1(C)C ZINC000768463831 627481349 /nfs/dbraw/zinc/48/13/49/627481349.db2.gz XOCBILRZCKJAAZ-ZDUSSCGKSA-N 0 0 289.419 3.270 20 10 CGCDRN O=C(C/C=C/c1ccc(F)cc1)NCc1ccccc1O ZINC000769364169 627545226 /nfs/dbraw/zinc/54/52/26/627545226.db2.gz YNJCJRZLAKQMAB-ONEGZZNKSA-N 0 0 285.318 3.251 20 10 CGCDRN C[C@@H](CCC1CC1)NC(=O)N(C)Cc1ccccc1O ZINC000769556527 627565687 /nfs/dbraw/zinc/56/56/87/627565687.db2.gz MKCNAKICXHPNEF-LBPRGKRZSA-N 0 0 276.380 3.112 20 10 CGCDRN COc1cccc2c1nc(-c1ccc(N(C)C)cc1)n2C ZINC000769729495 627574747 /nfs/dbraw/zinc/57/47/47/627574747.db2.gz SPMGJEWDSJPDOW-UHFFFAOYSA-N 0 0 281.359 3.315 20 10 CGCDRN CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ccccc1O ZINC000770505349 627623770 /nfs/dbraw/zinc/62/37/70/627623770.db2.gz QTZSTSHYFGQHHR-HOTGVXAUSA-N 0 0 277.408 3.418 20 10 CGCDRN CN1C(=O)/C(=C/c2cscc2Cl)SC1=S ZINC000771850928 627735962 /nfs/dbraw/zinc/73/59/62/627735962.db2.gz 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/nfs/dbraw/zinc/78/51/55/628785155.db2.gz FSKLYZFVGWFKHV-UHFFFAOYSA-N 0 0 258.252 3.285 20 10 CGCDRN CSC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000784893096 628839968 /nfs/dbraw/zinc/83/99/68/628839968.db2.gz KKMFBOUTJNUKFA-GFCCVEGCSA-N 0 0 292.448 3.216 20 10 CGCDRN O=C(OCCc1cccc(F)c1F)C1=CC(=O)CS1 ZINC000785315547 628857568 /nfs/dbraw/zinc/85/75/68/628857568.db2.gz JSRLPHHSEPILRE-UHFFFAOYSA-N 0 0 284.283 3.131 20 10 CGCDRN CCN(Cc1cncc(C)c1)c1ccc(OC)cc1 ZINC000785467470 628864595 /nfs/dbraw/zinc/86/45/95/628864595.db2.gz WDLZGPVSEOBVIO-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN COc1ccc(N(C)CCC(C)(C)OC)cc1F ZINC000787265184 629005884 /nfs/dbraw/zinc/00/58/84/629005884.db2.gz ZHYLDNCJBIEBMZ-UHFFFAOYSA-N 0 0 255.333 3.086 20 10 CGCDRN C[C@H](CC1CCCCC1)NC(=O)c1cccc(O)c1O ZINC000787659963 629021096 /nfs/dbraw/zinc/02/10/96/629021096.db2.gz XDFBLWVLIOMVBQ-LLVKDONJSA-N 0 0 277.364 3.187 20 10 CGCDRN C[C@@H](NC(=O)N(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000875508026 634704562 /nfs/dbraw/zinc/70/45/62/634704562.db2.gz RAHUMBYTDZDQIG-GFCCVEGCSA-N 0 0 287.407 3.150 20 10 CGCDRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000789862666 629170960 /nfs/dbraw/zinc/17/09/60/629170960.db2.gz KXXNEFFQIOFTPC-DHOWGVBFSA-N 0 0 289.375 3.004 20 10 CGCDRN CCN(Cc1ccc(C)cc1)C(=O)c1cccc(O)c1O ZINC000790522936 629215182 /nfs/dbraw/zinc/21/51/82/629215182.db2.gz METQGGUKKMXVMZ-UHFFFAOYSA-N 0 0 285.343 3.069 20 10 CGCDRN CCCC[C@H](NC(=O)c1cccc(O)c1O)C1CCC1 ZINC000790876098 629238987 /nfs/dbraw/zinc/23/89/87/629238987.db2.gz HGWKWVXDEDBBET-ZDUSSCGKSA-N 0 0 277.364 3.187 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC(F)(F)F ZINC000790970698 629244142 /nfs/dbraw/zinc/24/41/42/629244142.db2.gz NOPUNGVIQFMNLL-UHFFFAOYSA-N 0 0 271.641 3.227 20 10 CGCDRN Cc1cc(C(=O)NCCC2(C)CC2)c(C)n1-c1ccccn1 ZINC000792489911 629362769 /nfs/dbraw/zinc/36/27/69/629362769.db2.gz DTXZDWPBJKFKBU-UHFFFAOYSA-N 0 0 297.402 3.409 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C3CC3)o2)cc1 ZINC000862401024 629363764 /nfs/dbraw/zinc/36/37/64/629363764.db2.gz JHEXPUGTFHEGFA-UHFFFAOYSA-N 0 0 258.321 3.197 20 10 CGCDRN CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000862538959 629395122 /nfs/dbraw/zinc/39/51/22/629395122.db2.gz GUUNKJGCXSRPDV-UHFFFAOYSA-N 0 0 289.778 3.168 20 10 CGCDRN Oc1c(F)cccc1CN1CCOc2cc(F)ccc2C1 ZINC000862550451 629400695 /nfs/dbraw/zinc/40/06/95/629400695.db2.gz LMBCWSIJBHNFDI-UHFFFAOYSA-N 0 0 291.297 3.065 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1 ZINC000862755710 629429902 /nfs/dbraw/zinc/42/99/02/629429902.db2.gz KBHDLAHBNPBJTR-JEBQAFNWSA-N 0 0 295.382 3.367 20 10 CGCDRN CC(=O)CCCCCCC(=O)NCc1cc(C)ccc1O ZINC000862757721 629430741 /nfs/dbraw/zinc/43/07/41/629430741.db2.gz CUBGIFMXVXHGBI-UHFFFAOYSA-N 0 0 291.391 3.246 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CC[C@H](C)C2)c1 ZINC000862758286 629430851 /nfs/dbraw/zinc/43/08/51/629430851.db2.gz VVMGAZOIPNWXLL-AAEUAGOBSA-N 0 0 261.365 3.143 20 10 CGCDRN CCc1cc(CN2CCO[C@H]3C[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000793618346 629490985 /nfs/dbraw/zinc/49/09/85/629490985.db2.gz LHXKIWZLELLBGX-CVEARBPZSA-N 0 0 289.419 3.225 20 10 CGCDRN COc1ccc(CNC(=O)C2(CC(C)C)CCC2)c(O)c1 ZINC000794377919 629537975 /nfs/dbraw/zinc/53/79/75/629537975.db2.gz NJHKHBRUWJWFRI-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)c(O)c1 ZINC000794387062 629538363 /nfs/dbraw/zinc/53/83/63/629538363.db2.gz CMSLGRBUQKWWDV-VXGBXAGGSA-N 0 0 291.391 3.089 20 10 CGCDRN COc1ccc(CNC(=O)C(C)(C)C2CCCC2)c(O)c1 ZINC000794388521 629538525 /nfs/dbraw/zinc/53/85/25/629538525.db2.gz XKSSLYCXFHPODC-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@@H]([NH2+]CCC1(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794826400 629582387 /nfs/dbraw/zinc/58/23/87/629582387.db2.gz CKPHEYXIBWMDQS-SNVBAGLBSA-N 0 0 264.325 3.141 20 10 CGCDRN COc1ccc(CNc2ncc(Cl)cc2F)c(O)c1 ZINC000795283601 629655988 /nfs/dbraw/zinc/65/59/88/629655988.db2.gz DKFKSIHAQISQTN-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN [O-]c1c(C[NH+]2CCC3(CC3(F)F)CC2)ccc(F)c1F ZINC000864049140 629741232 /nfs/dbraw/zinc/74/12/32/629741232.db2.gz BDUTXLZSQXDZSY-UHFFFAOYSA-N 0 0 289.272 3.292 20 10 CGCDRN CC[C@@H]([NH2+]CCc1ccco1)c1ccc(F)cc1[O-] ZINC000796673612 629814038 /nfs/dbraw/zinc/81/40/38/629814038.db2.gz SPMLVRPMHNIOBH-CQSZACIVSA-N 0 0 263.312 3.408 20 10 CGCDRN CC[C@H](C)N(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796745969 629824313 /nfs/dbraw/zinc/82/43/13/629824313.db2.gz UJEGUIHKGXAGIN-WFASDCNBSA-N 0 0 282.403 3.302 20 10 CGCDRN CC[C@@H]([NH2+]CCN(CC)C(C)C)c1ccc(F)cc1[O-] ZINC000796746258 629824975 /nfs/dbraw/zinc/82/49/75/629824975.db2.gz RACOYUMUKLMFSC-OAHLLOKOSA-N 0 0 282.403 3.302 20 10 CGCDRN CC[C@H](O)CCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796827568 629842015 /nfs/dbraw/zinc/84/20/15/629842015.db2.gz OCOBJMSFSNOZBU-JSGCOSHPSA-N 0 0 269.360 3.123 20 10 CGCDRN Cc1[nH]c2ccccc2c1C(=O)N(C)Cc1ccccc1O ZINC000120239506 629907259 /nfs/dbraw/zinc/90/72/59/629907259.db2.gz FGHWZUKLARWELB-UHFFFAOYSA-N 0 0 294.354 3.454 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(F)(F)C2)cc1 ZINC000797798419 629984752 /nfs/dbraw/zinc/98/47/52/629984752.db2.gz XWBZXBBNZPJMIE-ZDUSSCGKSA-N 0 0 296.361 3.194 20 10 CGCDRN Cc1ccc(NC(=O)N(C)C)cc1NCc1ccccc1O ZINC000797891958 629997456 /nfs/dbraw/zinc/99/74/56/629997456.db2.gz KJOQKDMDMMILGE-UHFFFAOYSA-N 0 0 299.374 3.406 20 10 CGCDRN CC1=CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000798074338 630019907 /nfs/dbraw/zinc/01/99/07/630019907.db2.gz YDHZWKATNATYLA-CQSZACIVSA-N 0 0 287.407 3.175 20 10 CGCDRN O=C(N[C@H]1C[C@H](c2ccccc2)C1)C1=CC(=O)CS1 ZINC000798121661 630025175 /nfs/dbraw/zinc/02/51/75/630025175.db2.gz DEHWBPCNKATWMB-HAQNSBGRSA-N 0 0 273.357 3.130 20 10 CGCDRN CSc1ccc(CCNC(=O)C2=CC(=O)CS2)cc1 ZINC000798122222 630025255 /nfs/dbraw/zinc/02/52/55/630025255.db2.gz SKMCMOUKARXIAO-UHFFFAOYSA-N 0 0 293.413 3.148 20 10 CGCDRN CC(C)(C)c1cnc(SC[C@H]2CCc3ncnn32)s1 ZINC000865359171 630072617 /nfs/dbraw/zinc/07/26/17/630072617.db2.gz GNWKNYIMUMPXOF-SECBINFHSA-N 0 0 294.449 3.312 20 10 CGCDRN CN(C)c1ccc(CNC(=O)NCCC2=CCCC2)cc1 ZINC000125771492 634790060 /nfs/dbraw/zinc/79/00/60/634790060.db2.gz UDCSMJZJDISFEW-UHFFFAOYSA-N 0 0 287.407 3.052 20 10 CGCDRN COc1ccc(CNC(=O)N[C@@H](C)CC(C)(C)C)c(O)c1 ZINC000836685068 634791483 /nfs/dbraw/zinc/79/14/83/634791483.db2.gz SBVCFFHWVZYXLB-NSHDSACASA-N 0 0 294.395 3.025 20 10 CGCDRN COc1cccc(CN2CCCC[C@@H]2C(F)F)c1O ZINC000800532967 630291033 /nfs/dbraw/zinc/29/10/33/630291033.db2.gz BJESQTSEOODFGN-LLVKDONJSA-N 0 0 271.307 3.020 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCC1CC1 ZINC000839917325 630294685 /nfs/dbraw/zinc/29/46/85/630294685.db2.gz CLPKNHHITPGINF-CQSZACIVSA-N 0 0 288.435 3.298 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800890928 630309254 /nfs/dbraw/zinc/30/92/54/630309254.db2.gz ZSWASQAVEBKUPB-NDMJEZRESA-N 0 0 296.208 3.433 20 10 CGCDRN CCCCN(C(=O)/C=C(\C)c1cnccn1)c1ccncc1 ZINC000876293257 634809576 /nfs/dbraw/zinc/80/95/76/634809576.db2.gz YXVKYHLAGBDADE-WYMLVPIESA-N 0 0 296.374 3.108 20 10 CGCDRN Cc1cccc(CNc2ccc(OC(F)F)nc2)c1O ZINC000802660959 630404015 /nfs/dbraw/zinc/40/40/15/630404015.db2.gz BAHJFKGCZRWYGW-UHFFFAOYSA-N 0 0 280.274 3.309 20 10 CGCDRN Cc1cc2c(cc1C)N(C(=O)/C=C/c1cncc(F)c1)CC2 ZINC000804320431 630519833 /nfs/dbraw/zinc/51/98/33/630519833.db2.gz PVODHMZDQAHTQZ-ONEGZZNKSA-N 0 0 296.345 3.440 20 10 CGCDRN C[C@@H](Nc1ccnc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000804621734 630543730 /nfs/dbraw/zinc/54/37/30/630543730.db2.gz DUMNSTWZRHJERT-GFCCVEGCSA-N 0 0 295.390 3.207 20 10 CGCDRN CC[C@@H]([NH2+]C1(COC)CC1)c1cccc(Cl)c1[O-] ZINC000806155475 630550800 /nfs/dbraw/zinc/55/08/00/630550800.db2.gz QWYZCKDNDODQAK-GFCCVEGCSA-N 0 0 269.772 3.265 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc(Cl)c1[O-] ZINC000806160982 630551307 /nfs/dbraw/zinc/55/13/07/630551307.db2.gz HBBOFSOSJQLJOE-MJVIPROJSA-N 0 0 283.799 3.247 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCCCC1 ZINC000808094827 630621505 /nfs/dbraw/zinc/62/15/05/630621505.db2.gz GCBGDAQFRLHZKU-UHFFFAOYSA-N 0 0 282.380 3.074 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)s1 ZINC000808093686 630622149 /nfs/dbraw/zinc/62/21/49/630622149.db2.gz UHDWVJPFXQWHQR-UHFFFAOYSA-N 0 0 296.388 3.178 20 10 CGCDRN Oc1ccc(Cl)cc1CN[C@H](C1CC1)C(F)(F)F ZINC000808438858 630645305 /nfs/dbraw/zinc/64/53/05/630645305.db2.gz PMROMDONZCUTDX-LLVKDONJSA-N 0 0 279.689 3.476 20 10 CGCDRN CCCC[C@@](C)(CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842746410 635457518 /nfs/dbraw/zinc/45/75/18/635457518.db2.gz KUSRMXDQNQEZDO-AWEZNQCLSA-N 0 0 289.778 3.216 20 10 CGCDRN CN(C)c1ccc(OCc2cccc3c2OCCO3)cc1 ZINC000810001781 630826334 /nfs/dbraw/zinc/82/63/34/630826334.db2.gz LKZVPEIGXDYVMV-UHFFFAOYSA-N 0 0 285.343 3.103 20 10 CGCDRN Cc1ccc(COc2ccc(N(C)C)cc2)c(C)n1 ZINC000810001769 630826647 /nfs/dbraw/zinc/82/66/47/630826647.db2.gz LCYIRAJCMZDSJY-UHFFFAOYSA-N 0 0 256.349 3.343 20 10 CGCDRN Oc1ccc(CCNc2cccc(C(F)(F)F)n2)cc1O ZINC000811811165 631121714 /nfs/dbraw/zinc/12/17/14/631121714.db2.gz OIRUJQFGBCUIEI-UHFFFAOYSA-N 0 0 298.264 3.166 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCC1CC1 ZINC000812511362 631269301 /nfs/dbraw/zinc/26/93/01/631269301.db2.gz AFPUBGHKJCAJME-UHFFFAOYSA-N 0 0 274.408 3.258 20 10 CGCDRN Cn1c2cc(F)ccc2nc1NCc1ccccc1O ZINC000814255753 631564352 /nfs/dbraw/zinc/56/43/52/631564352.db2.gz CGIWPRXZBKWXSQ-UHFFFAOYSA-N 0 0 271.295 3.030 20 10 CGCDRN COc1ccc(N(C)CCC2(OC)CCC2)c(OC)c1 ZINC000815076056 631711208 /nfs/dbraw/zinc/71/12/08/631711208.db2.gz JVCITQIZLGGYLO-UHFFFAOYSA-N 0 0 279.380 3.099 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000816516419 632002197 /nfs/dbraw/zinc/00/21/97/632002197.db2.gz FHGAGTGPJIIQAH-GHMZBOCLSA-N 0 0 299.773 3.043 20 10 CGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](CO)C(C)(C)C ZINC000816518863 632002227 /nfs/dbraw/zinc/00/22/27/632002227.db2.gz PRXZSIWBFXMTLE-CYBMUJFWSA-N 0 0 289.778 3.024 20 10 CGCDRN CCn1cc(NCc2ccc3ccccc3c2O)cn1 ZINC000816558570 632011724 /nfs/dbraw/zinc/01/17/24/632011724.db2.gz DNEUOCDASJILSS-UHFFFAOYSA-N 0 0 267.332 3.374 20 10 CGCDRN CC(C)(C)C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816558162 632011900 /nfs/dbraw/zinc/01/19/00/632011900.db2.gz OYCITFMWCQVEEK-SNVBAGLBSA-N 0 0 289.778 3.071 20 10 CGCDRN CC1(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816594679 632019301 /nfs/dbraw/zinc/01/93/01/632019301.db2.gz MGFYVKYHWNGKEI-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN Oc1ccc(Cl)cc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666665 632040713 /nfs/dbraw/zinc/04/07/13/632040713.db2.gz SROANKNXTXHFIH-HOTGVXAUSA-N 0 0 293.794 3.189 20 10 CGCDRN CC1(C)Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC000816902263 632059108 /nfs/dbraw/zinc/05/91/08/632059108.db2.gz MUNRWRCTEUMELW-BQYQJAHWSA-N 0 0 293.370 3.105 20 10 CGCDRN CC1(C)Cc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 ZINC000816902264 632059184 /nfs/dbraw/zinc/05/91/84/632059184.db2.gz MUNRWRCTEUMELW-FPLPWBNLSA-N 0 0 293.370 3.105 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000817955545 632250290 /nfs/dbraw/zinc/25/02/90/632250290.db2.gz YMDUPGNNKUQHRB-HOTGVXAUSA-N 0 0 288.366 3.272 20 10 CGCDRN CCCOc1ccccc1NC[C@H](O)CC(F)(F)F ZINC000819397540 632449476 /nfs/dbraw/zinc/44/94/76/632449476.db2.gz DPPNQDSAKLZZFZ-SNVBAGLBSA-N 0 0 277.286 3.201 20 10 CGCDRN CC[C@@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820843527 632686184 /nfs/dbraw/zinc/68/61/84/632686184.db2.gz POEVWTGUMSUVCN-HNNXBMFYSA-N 0 0 288.351 3.111 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](CC)OCC ZINC000840445600 632744417 /nfs/dbraw/zinc/74/44/17/632744417.db2.gz QUIWTLYKGNGHNJ-INIZCTEOSA-N 0 0 293.407 3.336 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)C(C)(F)F)cc1 ZINC000822265615 632891703 /nfs/dbraw/zinc/89/17/03/632891703.db2.gz TWPBDPHMKQFSQE-UHFFFAOYSA-N 0 0 298.377 3.392 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2ccn(CCF)n2)cc1 ZINC000865835979 632907611 /nfs/dbraw/zinc/90/76/11/632907611.db2.gz MKXUPFDPDMISHU-ARJAWSKDSA-N 0 0 288.370 3.044 20 10 CGCDRN Cc1nc(NC(=O)N[C@@H](C)c2ccccc2O)sc1C ZINC000866161898 633014285 /nfs/dbraw/zinc/01/42/85/633014285.db2.gz YYDIOTQWFVMSAU-VIFPVBQESA-N 0 0 291.376 3.348 20 10 CGCDRN Cc1csc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000822861634 633031822 /nfs/dbraw/zinc/03/18/22/633031822.db2.gz CPSMMOLXHINZBP-UHFFFAOYSA-N 0 0 292.379 3.192 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)ccc21 ZINC000822867975 633032725 /nfs/dbraw/zinc/03/27/25/633032725.db2.gz QAFNGSMXMYTNJR-VYDXJSESSA-N 0 0 298.430 3.121 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823526381 633118065 /nfs/dbraw/zinc/11/80/65/633118065.db2.gz QHHLGLSNYQEHHI-SWLSCSKDSA-N 0 0 288.351 3.013 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)cc1[O-] ZINC000866446537 633135902 /nfs/dbraw/zinc/13/59/02/633135902.db2.gz FOJHCVDJZPVQKT-XYHOJCAOSA-N 0 0 267.344 3.138 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(F)cc1[O-] ZINC000866449531 633138984 /nfs/dbraw/zinc/13/89/84/633138984.db2.gz CTKXBJNGVBEBIH-TVYUQYBPSA-N 0 0 255.308 3.463 20 10 CGCDRN COc1ccc(N(C)Cc2cc(F)ncc2F)cc1OC ZINC000824159515 633206322 /nfs/dbraw/zinc/20/63/22/633206322.db2.gz BIDSCJRHWDCBIP-UHFFFAOYSA-N 0 0 294.301 3.013 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccccc1O ZINC000866638069 633226596 /nfs/dbraw/zinc/22/65/96/633226596.db2.gz NDTCTSYUJUSSNP-HZPDHXFCSA-N 0 0 277.408 3.374 20 10 CGCDRN CC(F)(F)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824483222 633250230 /nfs/dbraw/zinc/25/02/30/633250230.db2.gz JDFWBLQUENRSLB-UHFFFAOYSA-N 0 0 267.678 3.320 20 10 CGCDRN CC[C@@H](C)[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000824596994 633262923 /nfs/dbraw/zinc/26/29/23/633262923.db2.gz NCTGWRAACBONAG-RNCFNFMXSA-N 0 0 289.778 3.335 20 10 CGCDRN C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876572077 634860356 /nfs/dbraw/zinc/86/03/56/634860356.db2.gz IPDLXQAYSBPAEY-VIFPVBQESA-N 0 0 267.275 3.456 20 10 CGCDRN Cc1cc(O)c(C[N@H+](C)CC2CCOCC2)cc1Cl ZINC000824778848 633287988 /nfs/dbraw/zinc/28/79/88/633287988.db2.gz UTDYGAGINKCHQS-UHFFFAOYSA-N 0 0 283.799 3.212 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC1CC1 ZINC000122205768 633339627 /nfs/dbraw/zinc/33/96/27/633339627.db2.gz AZAXXMDBSLROIU-UHFFFAOYSA-N 0 0 289.423 3.003 20 10 CGCDRN C[C@@]1(NC(=O)C2=CC(=O)CS2)CCCc2ccccc21 ZINC000825288589 633342269 /nfs/dbraw/zinc/34/22/69/633342269.db2.gz SGHAGZVJUFWKRV-MRXNPFEDSA-N 0 0 287.384 3.435 20 10 CGCDRN C[C@@H](NC(=O)NCCC1(F)CCC1)c1ccccc1O ZINC000868611808 633343628 /nfs/dbraw/zinc/34/36/28/633343628.db2.gz LCONTFBRGOUZOM-LLVKDONJSA-N 0 0 280.343 3.035 20 10 CGCDRN Cc1csc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868668382 633350226 /nfs/dbraw/zinc/35/02/26/633350226.db2.gz KREMRJQUFCZLOI-NSHDSACASA-N 0 0 290.388 3.323 20 10 CGCDRN CC(C)[C@H](NC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000868784782 633362720 /nfs/dbraw/zinc/36/27/20/633362720.db2.gz ZTZOEJHVIBGNDN-NHYWBVRUSA-N 0 0 276.380 3.187 20 10 CGCDRN Cc1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000122895821 633528127 /nfs/dbraw/zinc/52/81/27/633528127.db2.gz MRKMFJFNJBAYKE-GFCCVEGCSA-N 0 0 275.421 3.368 20 10 CGCDRN CCOc1ccc(N(C)CCC[C@H]2CCOC2)cc1 ZINC000827936207 633536641 /nfs/dbraw/zinc/53/66/41/633536641.db2.gz GVQKGJJDEWROME-AWEZNQCLSA-N 0 0 263.381 3.338 20 10 CGCDRN CCCC(O)(CCC)CC(=O)N[C@H](C)c1ccccc1O ZINC000827937117 633536662 /nfs/dbraw/zinc/53/66/62/633536662.db2.gz LFWIMIYHLZASLZ-CYBMUJFWSA-N 0 0 293.407 3.291 20 10 CGCDRN C[C@@H](NC(=O)[C@]1(C)CC=CCC1)c1ccccc1O ZINC000827952195 633538748 /nfs/dbraw/zinc/53/87/48/633538748.db2.gz JHQGVVVIUKMRMR-MLGOLLRUSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1O ZINC000827952092 633538777 /nfs/dbraw/zinc/53/87/77/633538777.db2.gz GEFWFDKVAHGXGX-LLVKDONJSA-N 0 0 284.359 3.090 20 10 CGCDRN C[C@H](CC(=O)N[C@H](C)c1ccccc1O)c1ccco1 ZINC000827955959 633539482 /nfs/dbraw/zinc/53/94/82/633539482.db2.gz HYJZVBMKRUELIJ-VXGBXAGGSA-N 0 0 273.332 3.356 20 10 CGCDRN C[C@H](NC(=O)CCCC1CCOCC1)c1ccccc1O ZINC000827963943 633541280 /nfs/dbraw/zinc/54/12/80/633541280.db2.gz DXVKRDFXOCKYLI-ZDUSSCGKSA-N 0 0 291.391 3.166 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000827963897 633541422 /nfs/dbraw/zinc/54/14/22/633541422.db2.gz DHCSYVXWQPBIHI-WDEREUQCSA-N 0 0 283.318 3.395 20 10 CGCDRN CCCCS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978210 633543379 /nfs/dbraw/zinc/54/33/79/633543379.db2.gz KUBIMJBARZIKER-RYUDHWBXSA-N 0 0 281.421 3.491 20 10 CGCDRN C[C@H](NC(=O)c1coc(C(C)(C)C)n1)c1ccccc1O ZINC000827984965 633544721 /nfs/dbraw/zinc/54/47/21/633544721.db2.gz GMLZGLCOYPXUJW-JTQLQIEISA-N 0 0 288.347 3.169 20 10 CGCDRN CCOc1ccc(N(CC)Cc2c(C)nnn2CC)cc1 ZINC000828194494 633582423 /nfs/dbraw/zinc/58/24/23/633582423.db2.gz NJJWNVXLXSTEDB-UHFFFAOYSA-N 0 0 288.395 3.032 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NOCCC ZINC000828323094 633605636 /nfs/dbraw/zinc/60/56/36/633605636.db2.gz VELHVKZKRLNENS-UHFFFAOYSA-N 0 0 280.368 3.046 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1CC=CCC1)c1ccccc1O ZINC000828539356 633625824 /nfs/dbraw/zinc/62/58/24/633625824.db2.gz NEZRGAWRQFMYEH-STQMWFEESA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1CCCC1(F)F)c1ccccc1O ZINC000828539383 633626739 /nfs/dbraw/zinc/62/67/39/633626739.db2.gz ODMGMGYMUBHKLB-WDEREUQCSA-N 0 0 283.318 3.395 20 10 CGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)sc1C ZINC000871198624 633722822 /nfs/dbraw/zinc/72/28/22/633722822.db2.gz LAHVNSQARCBBGW-UHFFFAOYSA-N 0 0 273.357 3.227 20 10 CGCDRN Cc1cc(C(F)F)oc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871206784 633726751 /nfs/dbraw/zinc/72/67/51/633726751.db2.gz DSQVIISYWMJBSW-UHFFFAOYSA-N 0 0 293.269 3.387 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CCNC(=O)Cc1ccc(N)cc1 ZINC000829641625 633760455 /nfs/dbraw/zinc/76/04/55/633760455.db2.gz HIPUKRKGJWPKLK-DZGCQCFKSA-N 0 0 274.408 3.144 20 10 CGCDRN CC(C)Nc1ccccc1NCc1nnc2n1CCCCC2 ZINC000871845824 633890541 /nfs/dbraw/zinc/89/05/41/633890541.db2.gz KSFUEVDQVJJVPK-UHFFFAOYSA-N 0 0 299.422 3.437 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)N1CCCC[C@H]1C ZINC000871847357 633892534 /nfs/dbraw/zinc/89/25/34/633892534.db2.gz PVEONGWFWNPTRW-CQSZACIVSA-N 0 0 289.423 3.320 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c(O)c1 ZINC000831032488 633911915 /nfs/dbraw/zinc/91/19/15/633911915.db2.gz DVQNBCIZGCUSSZ-YNEHKIRRSA-N 0 0 291.391 3.089 20 10 CGCDRN CCN(C(=O)Cc1ccc(N)cc1)c1ccccc1C ZINC000019268453 633918440 /nfs/dbraw/zinc/91/84/40/633918440.db2.gz XSYYRMUZOORPKY-UHFFFAOYSA-N 0 0 268.360 3.173 20 10 CGCDRN CC[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000831953202 634017259 /nfs/dbraw/zinc/01/72/59/634017259.db2.gz WITSKEQSOCRKEP-CZUORRHYSA-N 0 0 274.408 3.239 20 10 CGCDRN Nc1ccc(CC(=O)N2CC3(CCC3)c3ccccc32)cc1 ZINC000832173969 634034950 /nfs/dbraw/zinc/03/49/50/634034950.db2.gz ZMGDCKVKXDOFTK-UHFFFAOYSA-N 0 0 292.382 3.280 20 10 CGCDRN CC(C)(C)C(C)(C)CNC(=O)C1=CC(=O)CS1 ZINC000832823403 634100917 /nfs/dbraw/zinc/10/09/17/634100917.db2.gz QQAHTRQPPDBEBJ-UHFFFAOYSA-N 0 0 255.383 3.256 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2=CCCCC2)c1 ZINC000834834567 634252752 /nfs/dbraw/zinc/25/27/52/634252752.db2.gz CNAHEFWOHJGEEU-GFCCVEGCSA-N 0 0 289.375 3.330 20 10 CGCDRN Cc1cc(C)c([C@@H](C)NCc2nn(C)cc2Cl)c(O)c1 ZINC000834883666 634265609 /nfs/dbraw/zinc/26/56/09/634265609.db2.gz SZTZAADZGMAGSW-LLVKDONJSA-N 0 0 293.798 3.247 20 10 CGCDRN CCc1nc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)co1 ZINC000834896512 634273350 /nfs/dbraw/zinc/27/33/50/634273350.db2.gz CRPHAWBYCKSRGB-CABZTGNLSA-N 0 0 290.338 3.420 20 10 CGCDRN CCc1nc(CN[C@@H](C)c2cc(Cl)ccc2O)co1 ZINC000834898161 634274522 /nfs/dbraw/zinc/27/45/22/634274522.db2.gz JSCVAQJCZJJHOE-VIFPVBQESA-N 0 0 280.755 3.447 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000834909541 634284548 /nfs/dbraw/zinc/28/45/48/634284548.db2.gz LNPTVOMKRQVBSC-RYUDHWBXSA-N 0 0 281.371 3.387 20 10 CGCDRN CN(C)c1ccc(/C=C\CNCc2nccs2)cc1 ZINC000835034572 634326964 /nfs/dbraw/zinc/32/69/64/634326964.db2.gz BPRIFDUBCDVBCE-ARJAWSKDSA-N 0 0 273.405 3.012 20 10 CGCDRN CC[C@H](Nc1ccc(OC)nc1)c1ccccc1O ZINC000019877862 634327456 /nfs/dbraw/zinc/32/74/56/634327456.db2.gz CARLCZOSTUIYKL-ZDUSSCGKSA-N 0 0 258.321 3.359 20 10 CGCDRN CN(C)c1ccc(/C=C/CNCc2nccs2)cc1 ZINC000835034573 634327500 /nfs/dbraw/zinc/32/75/00/634327500.db2.gz BPRIFDUBCDVBCE-ONEGZZNKSA-N 0 0 273.405 3.012 20 10 CGCDRN COc1c([O-])c(C[NH2+][C@@H](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000835065465 634342857 /nfs/dbraw/zinc/34/28/57/634342857.db2.gz OJTXCKYTCVJZNQ-JTQLQIEISA-N 0 0 296.367 3.223 20 10 CGCDRN Cc1cccc(O)c1CNc1ccccc1N(C)C ZINC000876831166 634911264 /nfs/dbraw/zinc/91/12/64/634911264.db2.gz WOQCPPAHYBEINQ-UHFFFAOYSA-N 0 0 256.349 3.379 20 10 CGCDRN CC(C)c1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000126208417 634920194 /nfs/dbraw/zinc/92/01/94/634920194.db2.gz STCTUKZFAFCTJX-UHFFFAOYSA-N 0 0 271.316 3.474 20 10 CGCDRN CC(C)C[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000837588001 634942672 /nfs/dbraw/zinc/94/26/72/634942672.db2.gz OCLSDNISQVICAC-ZRQQLDRUSA-N 0 0 264.321 3.089 20 10 CGCDRN Cc1csc(C(C)(C)[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000877036501 634958405 /nfs/dbraw/zinc/95/84/05/634958405.db2.gz SRNLIDCTZTUGMB-UHFFFAOYSA-N 0 0 298.358 3.460 20 10 CGCDRN CCCC[C@](C)(F)C(=O)N(C)c1ccc(N)cc1 ZINC000877074386 634972322 /nfs/dbraw/zinc/97/23/22/634972322.db2.gz IKYHRVDATZDKBP-AWEZNQCLSA-N 0 0 252.333 3.150 20 10 CGCDRN CO[C@@H](C)c1nc(CNCc2ccc(C)cc2O)cs1 ZINC000877074441 634972492 /nfs/dbraw/zinc/97/24/92/634972492.db2.gz KLMGXZQCWWFZNT-NSHDSACASA-N 0 0 292.404 3.154 20 10 CGCDRN CN(C(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccc(N)cc1 ZINC000877076646 634974191 /nfs/dbraw/zinc/97/41/91/634974191.db2.gz SFYSESGUUJZQCE-JKSUJKDBSA-N 0 0 272.392 3.448 20 10 CGCDRN C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877171050 635007298 /nfs/dbraw/zinc/00/72/98/635007298.db2.gz XSYKDLKPICEUMN-SNVBAGLBSA-N 0 0 278.302 3.258 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000877491292 635058511 /nfs/dbraw/zinc/05/85/11/635058511.db2.gz IFTKTKPVTMTAKC-MRXNPFEDSA-N 0 0 263.381 3.092 20 10 CGCDRN CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000840860579 635067414 /nfs/dbraw/zinc/06/74/14/635067414.db2.gz VXIRKCTVHAKDEB-UVWXRNBGSA-N 0 0 281.371 3.386 20 10 CGCDRN Cc1ccc([C@@H](C)N[C@H](C)c2csnn2)c(O)c1C ZINC000840886534 635075813 /nfs/dbraw/zinc/07/58/13/635075813.db2.gz ZBSXCTWSDPEKSS-GHMZBOCLSA-N 0 0 277.393 3.272 20 10 CGCDRN CCc1nn(C)cc1NCc1c(O)cc(C)cc1Cl ZINC000840907433 635080198 /nfs/dbraw/zinc/08/01/98/635080198.db2.gz DWJPDUPIYOEPFZ-UHFFFAOYSA-N 0 0 279.771 3.262 20 10 CGCDRN Cc1ccc(CN(C)c2ccc(OC(C)C)cc2)nn1 ZINC000840941688 635088688 /nfs/dbraw/zinc/08/86/88/635088688.db2.gz HPCCZCVIVMXMNT-UHFFFAOYSA-N 0 0 271.364 3.209 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(CCO)c1 ZINC000840953762 635092105 /nfs/dbraw/zinc/09/21/05/635092105.db2.gz ZBMOYCRLIYVTMP-UHFFFAOYSA-N 0 0 284.403 3.208 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](C2CCC2)C1 ZINC000840955587 635093298 /nfs/dbraw/zinc/09/32/98/635093298.db2.gz WGFCLRIMDNCCSY-HNNXBMFYSA-N 0 0 281.783 3.047 20 10 CGCDRN COc1ccc(C[NH2+]CCCCCCC(=O)[O-])cc1C ZINC000840995536 635099946 /nfs/dbraw/zinc/09/99/46/635099946.db2.gz SYDMTRAFHFLHQZ-UHFFFAOYSA-N 0 0 279.380 3.128 20 10 CGCDRN CCO/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841032499 635110151 /nfs/dbraw/zinc/11/01/51/635110151.db2.gz FQVVOYYGDPIGRJ-QXMHVHEDSA-N 0 0 290.407 3.040 20 10 CGCDRN COc1cc2c(cc1CNc1ccc(N)cc1)O[C@@H](C)C2 ZINC000841040556 635112114 /nfs/dbraw/zinc/11/21/14/635112114.db2.gz SXDIDUQLOUKHSW-NSHDSACASA-N 0 0 284.359 3.213 20 10 CGCDRN CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000841297057 635148909 /nfs/dbraw/zinc/14/89/09/635148909.db2.gz MDAQGPNHQCTCQC-CYBMUJFWSA-N 0 0 261.369 3.311 20 10 CGCDRN Nc1ccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000841300903 635149482 /nfs/dbraw/zinc/14/94/82/635149482.db2.gz WILNSLJBPQCWPC-GJZGRUSLSA-N 0 0 273.380 3.359 20 10 CGCDRN CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299876 635149773 /nfs/dbraw/zinc/14/97/73/635149773.db2.gz JIMZDPSMZLAPHN-OAHLLOKOSA-N 0 0 284.363 3.279 20 10 CGCDRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841297905 635149873 /nfs/dbraw/zinc/14/98/73/635149873.db2.gz JZWQYLHYKPIBBH-YABSGUDNSA-N 0 0 261.369 3.215 20 10 CGCDRN CC(C)OC1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841297908 635149908 /nfs/dbraw/zinc/14/99/08/635149908.db2.gz KEUULOJNLRIHFH-UHFFFAOYSA-N 0 0 291.395 3.127 20 10 CGCDRN CCN(CCc1cccs1)C(=O)Nc1ccc(N)cc1 ZINC000841301143 635151064 /nfs/dbraw/zinc/15/10/64/635151064.db2.gz CEIHYIRDVICHQE-UHFFFAOYSA-N 0 0 289.404 3.427 20 10 CGCDRN CC(C)N(C)c1ccc(CN2Cc3cccc(O)c3C2)cn1 ZINC000877703137 635155503 /nfs/dbraw/zinc/15/55/03/635155503.db2.gz SQUWAASFNNUHFY-UHFFFAOYSA-N 0 0 297.402 3.148 20 10 CGCDRN Cc1cc(CN2Cc3cccc(O)c3C2)cc(Cl)n1 ZINC000877703078 635155742 /nfs/dbraw/zinc/15/57/42/635155742.db2.gz QGWKGRUCBAYQAJ-UHFFFAOYSA-N 0 0 274.751 3.265 20 10 CGCDRN CN(C(=O)c1cccc(O)c1O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841454097 635178152 /nfs/dbraw/zinc/17/81/52/635178152.db2.gz VOKCKCRRQRCZNY-CHWSQXEVSA-N 0 0 291.391 3.385 20 10 CGCDRN Cc1ccc(CNc2cccc3c2OCCCO3)c(O)c1 ZINC000877767557 635194410 /nfs/dbraw/zinc/19/44/10/635194410.db2.gz NJCIFMZETUMCJL-UHFFFAOYSA-N 0 0 285.343 3.474 20 10 CGCDRN Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841606679 635196187 /nfs/dbraw/zinc/19/61/87/635196187.db2.gz KKJYTMANJTXKNA-CQSZACIVSA-N 0 0 297.402 3.180 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877806894 635210517 /nfs/dbraw/zinc/21/05/17/635210517.db2.gz SCFROMBWOSMSSZ-JKOKRWQUSA-N 0 0 281.783 3.093 20 10 CGCDRN C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748652 635223916 /nfs/dbraw/zinc/22/39/16/635223916.db2.gz XYIAAYIIDSGEBO-MNOVXSKESA-N 0 0 291.782 3.117 20 10 CGCDRN C[C@H](NCc1cscn1)c1ccc(Cl)cc1O ZINC000841746624 635223997 /nfs/dbraw/zinc/22/39/97/635223997.db2.gz JJNLOCYAGUHLLC-QMMMGPOBSA-N 0 0 268.769 3.353 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(Cl)cc1[O-] ZINC000841754001 635227258 /nfs/dbraw/zinc/22/72/58/635227258.db2.gz GYKZUGRAZDMTFR-SNVBAGLBSA-N 0 0 271.788 3.105 20 10 CGCDRN CCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])COC1 ZINC000841753317 635227552 /nfs/dbraw/zinc/22/75/52/635227552.db2.gz GQFHEUHJESFNQE-JTQLQIEISA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841755492 635229945 /nfs/dbraw/zinc/22/99/45/635229945.db2.gz QFPYAVZWLLBHOP-GVXVVHGQSA-N 0 0 283.799 3.247 20 10 CGCDRN CC1(CNC(=O)NCCc2ccc(N)cc2)CCCCC1 ZINC000841856186 635243611 /nfs/dbraw/zinc/24/36/11/635243611.db2.gz PZBOWBVYAHRFSD-UHFFFAOYSA-N 0 0 289.423 3.081 20 10 CGCDRN CCCC[C@H](C)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841955579 635252510 /nfs/dbraw/zinc/25/25/10/635252510.db2.gz HIQGZISUJZRUQU-ZDUSSCGKSA-N 0 0 277.412 3.031 20 10 CGCDRN CCCC[C@@H](C)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841955578 635253154 /nfs/dbraw/zinc/25/31/54/635253154.db2.gz HIQGZISUJZRUQU-CYBMUJFWSA-N 0 0 277.412 3.031 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2cc(C3CC3)n(C)n2)cc1 ZINC000842211299 635311551 /nfs/dbraw/zinc/31/15/51/635311551.db2.gz PGABMHNYTRETLZ-SNAWJCMRSA-N 0 0 296.418 3.489 20 10 CGCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc2n(n1)CCCC2 ZINC000842826131 635484405 /nfs/dbraw/zinc/48/44/05/635484405.db2.gz FQXCLYYMWZGKHO-CQSZACIVSA-N 0 0 298.434 3.136 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000842928963 635514792 /nfs/dbraw/zinc/51/47/92/635514792.db2.gz LCZFFCBVSIBIMD-CWSCBRNRSA-N 0 0 269.772 3.264 20 10 CGCDRN Nc1ccc(Cc2noc(-c3cc4c(s3)CCC4)n2)cc1 ZINC000843159520 635588798 /nfs/dbraw/zinc/58/87/98/635588798.db2.gz RZUCQXAEOSBEPB-UHFFFAOYSA-N 0 0 297.383 3.460 20 10 CGCDRN Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000843293267 635640089 /nfs/dbraw/zinc/64/00/89/635640089.db2.gz QOGPQBJGICYVPO-LSDHHAIUSA-N 0 0 258.365 3.424 20 10 CGCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843434933 635675439 /nfs/dbraw/zinc/67/54/39/635675439.db2.gz OJGLSAODHRPJQL-WRWORJQWSA-N 0 0 275.776 3.168 20 10 CGCDRN CCc1onc(C)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC000879046552 635689235 /nfs/dbraw/zinc/68/92/35/635689235.db2.gz CXXGBDPBVGLQQY-VIFPVBQESA-N 0 0 289.335 3.134 20 10 CGCDRN CC(C)n1cc(NCc2cccc(Cl)c2O)cn1 ZINC000127876770 635817809 /nfs/dbraw/zinc/81/78/09/635817809.db2.gz URLPFYXOZOYKRT-UHFFFAOYSA-N 0 0 265.744 3.435 20 10 CGCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2C2CCC2)c(O)c1O ZINC000844124018 635825375 /nfs/dbraw/zinc/82/53/75/635825375.db2.gz LWAHOPUQXJAYQK-CQSZACIVSA-N 0 0 289.375 3.201 20 10 CGCDRN CC1(C)CCC(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000844164404 635829551 /nfs/dbraw/zinc/82/95/51/635829551.db2.gz GPDSDXDRRWAOIN-UHFFFAOYSA-N 0 0 274.408 3.144 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C3CCCC3)no2)cc1 ZINC000844353412 635878460 /nfs/dbraw/zinc/87/84/60/635878460.db2.gz WFVDYWQEIIEFOY-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN CCc1ccc(NC(=O)N(C)Cc2ccccc2O)nc1 ZINC000881210342 636088036 /nfs/dbraw/zinc/08/80/36/636088036.db2.gz AYEXGRDPOSBUNA-UHFFFAOYSA-N 0 0 285.347 3.014 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000845997970 636127528 /nfs/dbraw/zinc/12/75/28/636127528.db2.gz HHPYRZBIHWAWTG-UHFFFAOYSA-N 0 0 287.359 3.349 20 10 CGCDRN CCOc1ccc(O)c(CN2CCCC(F)(F)C2)c1 ZINC000846013002 636128987 /nfs/dbraw/zinc/12/89/87/636128987.db2.gz HBGCJSLSLBKOCN-UHFFFAOYSA-N 0 0 271.307 3.022 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c1 ZINC000846106399 636144123 /nfs/dbraw/zinc/14/41/23/636144123.db2.gz AXSWOWJIJQVTGV-HNNXBMFYSA-N 0 0 297.345 3.412 20 10 CGCDRN O=C(C[C@@H]1C=CCCC1)NCc1cc(Cl)ccc1O ZINC000846473518 636187031 /nfs/dbraw/zinc/18/70/31/636187031.db2.gz MRWDSXXKQGSHBH-LLVKDONJSA-N 0 0 279.767 3.408 20 10 CGCDRN CC(=O)CC(C)(C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846473120 636187343 /nfs/dbraw/zinc/18/73/43/636187343.db2.gz IVZSJENCBDLVSR-UHFFFAOYSA-N 0 0 297.782 3.057 20 10 CGCDRN O=C(CCC1CCC1)NCc1cc(Cl)ccc1O ZINC000846478071 636188737 /nfs/dbraw/zinc/18/87/37/636188737.db2.gz YZBAAYMLLFZEAU-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN O=C(/C=C\C1CCCC1)NCc1cc(Cl)ccc1O ZINC000846476902 636189031 /nfs/dbraw/zinc/18/90/31/636189031.db2.gz PSZRKOSKJMOUSC-YVMONPNESA-N 0 0 279.767 3.408 20 10 CGCDRN Cc1cccc(C(C)(C)NC(=O)C2=CC(=O)CS2)c1 ZINC000846654884 636213910 /nfs/dbraw/zinc/21/39/10/636213910.db2.gz JOHFHCIXTCWPFM-UHFFFAOYSA-N 0 0 275.373 3.427 20 10 CGCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)c2cc(F)ccc21 ZINC000846690959 636218003 /nfs/dbraw/zinc/21/80/03/636218003.db2.gz LQAZDQFHOIRMLW-UHFFFAOYSA-N 0 0 298.361 3.275 20 10 CGCDRN C1=CCN(c2ccc(CNc3cc(C4CC4)ncn3)cc2)C1 ZINC000882007069 636230220 /nfs/dbraw/zinc/23/02/20/636230220.db2.gz FQNCHSZSJBSWKV-UHFFFAOYSA-N 0 0 292.386 3.342 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2cnsn2)cc1 ZINC000846766578 636233777 /nfs/dbraw/zinc/23/37/77/636233777.db2.gz TVZVZXYRIPWJDO-UHFFFAOYSA-N 0 0 290.436 3.016 20 10 CGCDRN C[C@@H](O)CCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846995923 636303663 /nfs/dbraw/zinc/30/36/63/636303663.db2.gz PZJLIFHAOBHVJK-GFCCVEGCSA-N 0 0 276.405 3.407 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCCc2sccc21 ZINC000847029676 636318371 /nfs/dbraw/zinc/31/83/71/636318371.db2.gz YGMOBLYHBFVDHT-UHFFFAOYSA-N 0 0 279.386 3.498 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)C2CCC2)c(C)n1-c1ccccn1 ZINC000129635183 636322775 /nfs/dbraw/zinc/32/27/75/636322775.db2.gz JJGRJZSAXJDXMC-ZDUSSCGKSA-N 0 0 297.402 3.408 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)NCCC2CCC2)cc1 ZINC000130890605 636527583 /nfs/dbraw/zinc/52/75/83/636527583.db2.gz HOMAPHFMQIATLB-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN Cc1ccsc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883083082 636534057 /nfs/dbraw/zinc/53/40/57/636534057.db2.gz ZIYYJNMJRYMCJJ-UHFFFAOYSA-N 0 0 283.343 3.373 20 10 CGCDRN CCCc1nc(C)c(C[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC000883127502 636548287 /nfs/dbraw/zinc/54/82/87/636548287.db2.gz WRGRDFGLLSUXEM-UHFFFAOYSA-N 0 0 296.317 3.209 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000883133646 636551353 /nfs/dbraw/zinc/55/13/53/636551353.db2.gz FKWISPAKVWMWBV-NSHDSACASA-N 0 0 297.345 3.109 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C=CCC1 ZINC000883140248 636553431 /nfs/dbraw/zinc/55/34/31/636553431.db2.gz NKIGDEFUSWHLAC-HNNXBMFYSA-N 0 0 299.418 3.052 20 10 CGCDRN COCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000848561017 636606609 /nfs/dbraw/zinc/60/66/09/636606609.db2.gz NVHOLISUAXNFFI-JTQLQIEISA-N 0 0 269.772 3.123 20 10 CGCDRN C=C/C=C\CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883268114 636639879 /nfs/dbraw/zinc/63/98/79/636639879.db2.gz CGBGDVBWRCJYOB-DOGVGXBMSA-N 0 0 262.309 3.083 20 10 CGCDRN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000883273216 636644808 /nfs/dbraw/zinc/64/48/08/636644808.db2.gz GJPJMWJWDIWENQ-CKYFFXLPSA-N 0 0 269.772 3.121 20 10 CGCDRN CCOc1ccc(CNc2cnc(C)c(C)c2)c(O)c1 ZINC000883341875 636688870 /nfs/dbraw/zinc/68/88/70/636688870.db2.gz COCBCBSMUPEEQW-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN Cc1noc([C@H](C)N(C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000848925759 636698969 /nfs/dbraw/zinc/69/89/69/636698969.db2.gz JMLYUNRDFYHVAI-VIFPVBQESA-N 0 0 295.770 3.238 20 10 CGCDRN CCOc1cccc(CNc2ccc(CC)cn2)c1O ZINC000883385214 636727718 /nfs/dbraw/zinc/72/77/18/636727718.db2.gz HKYQNBJTBIDOHN-UHFFFAOYSA-N 0 0 272.348 3.360 20 10 CGCDRN CCCCCCNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048564 636731591 /nfs/dbraw/zinc/73/15/91/636731591.db2.gz JKDJPLAVFPYOMJ-UHFFFAOYSA-N 0 0 283.803 3.240 20 10 CGCDRN CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000085069841 636769853 /nfs/dbraw/zinc/76/98/53/636769853.db2.gz DODSMVOGBABAAD-BXUZGUMPSA-N 0 0 261.369 3.359 20 10 CGCDRN CCC(CC)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000133083062 636873014 /nfs/dbraw/zinc/87/30/14/636873014.db2.gz WOAGHTVNSAXJRH-NSHDSACASA-N 0 0 279.380 3.404 20 10 CGCDRN CC(C)(CC(=O)Nc1ccc(N)cc1)CC(F)F ZINC000884008881 636899155 /nfs/dbraw/zinc/89/91/55/636899155.db2.gz DTWUCTUVPUJBKM-UHFFFAOYSA-N 0 0 256.296 3.279 20 10 CGCDRN CC[C@H](C)NC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849998332 636923833 /nfs/dbraw/zinc/92/38/33/636923833.db2.gz DPGIQSBFCSCVNW-NKWVEPMBSA-N 0 0 278.830 3.192 20 10 CGCDRN O=C(CSc1ncc(Cl)s1)NC1CCCCC1 ZINC000849998749 636924185 /nfs/dbraw/zinc/92/41/85/636924185.db2.gz SHZGKHWTECKTGK-UHFFFAOYSA-N 0 0 290.841 3.338 20 10 CGCDRN CCN(CC)c1ccc(CNCc2nc(C)c(C)[nH]2)cc1 ZINC000850034223 636930312 /nfs/dbraw/zinc/93/03/12/636930312.db2.gz ILFCPHUDLOIIEA-UHFFFAOYSA-N 0 0 286.423 3.163 20 10 CGCDRN O=C(NCc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000133787473 636975818 /nfs/dbraw/zinc/97/58/18/636975818.db2.gz FCTSWWJENIUNRM-UHFFFAOYSA-N 0 0 295.260 3.341 20 10 CGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)N(C)c1ccc(N)cc1 ZINC000884441872 637027505 /nfs/dbraw/zinc/02/75/05/637027505.db2.gz RIRBMUPZVVBUGE-WBMJQRKESA-N 0 0 260.381 3.448 20 10 CGCDRN Cc1cc(C)c(CC(=O)N(C)c2ccc(N)cc2)s1 ZINC000884441735 637027598 /nfs/dbraw/zinc/02/75/98/637027598.db2.gz NZFXAVKXWLAWAT-UHFFFAOYSA-N 0 0 274.389 3.153 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850392853 637045201 /nfs/dbraw/zinc/04/52/01/637045201.db2.gz NBXGITADVBBDQI-NVLNSXGDSA-N 0 0 255.720 3.073 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000850482622 637086236 /nfs/dbraw/zinc/08/62/36/637086236.db2.gz QFKOEFGGSNHSLN-AAEUAGOBSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ccncc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850507983 637095473 /nfs/dbraw/zinc/09/54/73/637095473.db2.gz QNRNUCGFDYMLRJ-NSHDSACASA-N 0 0 292.329 3.267 20 10 CGCDRN CC[C@H]([NH2+]C/C=C/CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000850509981 637096472 /nfs/dbraw/zinc/09/64/72/637096472.db2.gz UTZUVXLYLQHPMQ-UFFNRZRYSA-N 0 0 290.190 3.288 20 10 CGCDRN CC[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(F)cc1[O-] ZINC000850550848 637117723 /nfs/dbraw/zinc/11/77/23/637117723.db2.gz CXCWQXXHFJQXHS-ABIUDSBCSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(F)cc1[O-] ZINC000850552553 637118676 /nfs/dbraw/zinc/11/86/76/637118676.db2.gz NVRLWXRICPDCKO-PRHODGIISA-N 0 0 273.298 3.473 20 10 CGCDRN CCOc1ccc(N(C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886016716 637366102 /nfs/dbraw/zinc/36/61/02/637366102.db2.gz KCKUQFICPPEHAX-UHFFFAOYSA-N 0 0 287.319 3.025 20 10 CGCDRN Cc1ccc(COC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000110006461 637408369 /nfs/dbraw/zinc/40/83/69/637408369.db2.gz BLYJWOFBQWOVHO-UHFFFAOYSA-N 0 0 272.300 3.072 20 10 CGCDRN Cc1cc(O)c(CNc2cccc(-n3ccnn3)c2)cc1C ZINC000136830716 637411079 /nfs/dbraw/zinc/41/10/79/637411079.db2.gz CPNUOIHVPKRKTJ-UHFFFAOYSA-N 0 0 294.358 3.202 20 10 CGCDRN C[C@@H](CNC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000851647236 637465136 /nfs/dbraw/zinc/46/51/36/637465136.db2.gz HOBUQRWERBUEOM-ZDUSSCGKSA-N 0 0 274.408 3.144 20 10 CGCDRN COc1ccc(N(C)C[C@H](OC)C2CCC2)cc1F ZINC000851807843 637510992 /nfs/dbraw/zinc/51/09/92/637510992.db2.gz HZZQIUBHGNBXLR-HNNXBMFYSA-N 0 0 267.344 3.086 20 10 CGCDRN CCN(Cc1cc(OC)ns1)c1ccc(OC)cc1 ZINC000851828511 637516933 /nfs/dbraw/zinc/51/69/33/637516933.db2.gz QXMPNYPWYQTRQN-UHFFFAOYSA-N 0 0 278.377 3.187 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1O ZINC000851901450 637536995 /nfs/dbraw/zinc/53/69/95/637536995.db2.gz FNJOSRPJWHZBLE-AWEZNQCLSA-N 0 0 272.348 3.499 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886512641 637547437 /nfs/dbraw/zinc/54/74/37/637547437.db2.gz JYDCSFKGNGSZMX-BMIGLBTASA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886536413 637562499 /nfs/dbraw/zinc/56/24/99/637562499.db2.gz HBJWSDVPLVJELG-RYUDHWBXSA-N 0 0 274.339 3.208 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1c([O-])cccc1F ZINC000886536652 637562534 /nfs/dbraw/zinc/56/25/34/637562534.db2.gz MKXVZVBIIOWVLH-SGIREYDYSA-N 0 0 281.371 3.123 20 10 CGCDRN CSc1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)ccn1 ZINC000886543578 637570291 /nfs/dbraw/zinc/57/02/91/637570291.db2.gz QTSYPAKSUZCZNB-JTQLQIEISA-N 0 0 292.379 3.499 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1c([O-])cccc1F ZINC000886553901 637577216 /nfs/dbraw/zinc/57/72/16/637577216.db2.gz XTGINKYNGUGZGK-NSHDSACASA-N 0 0 287.334 3.412 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1c([O-])cccc1F ZINC000886610483 637603887 /nfs/dbraw/zinc/60/38/87/637603887.db2.gz BYTQTGALUNTKGC-VXGBXAGGSA-N 0 0 287.334 3.358 20 10 CGCDRN CCn1ccnc1[C@@H](C)N[C@H](C)c1c(O)cccc1F ZINC000886620205 637612575 /nfs/dbraw/zinc/61/25/75/637612575.db2.gz FARFAGONYNEXBB-GHMZBOCLSA-N 0 0 277.343 3.160 20 10 CGCDRN Cc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)nc1C ZINC000886623482 637614805 /nfs/dbraw/zinc/61/48/05/637614805.db2.gz FFWDSZZXRIMOFP-GFCCVEGCSA-N 0 0 274.339 3.394 20 10 CGCDRN C[C@H](NCc1nnc(C2CC2)s1)c1c(O)cccc1F ZINC000886627197 637616814 /nfs/dbraw/zinc/61/68/14/637616814.db2.gz VUGXSTYASVJVHS-QMMMGPOBSA-N 0 0 293.367 3.111 20 10 CGCDRN COC1([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886627055 637616893 /nfs/dbraw/zinc/61/68/93/637616893.db2.gz RPRLEVDQCJFSSC-QWRGUYRKSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1cnc(CC[NH2+][C@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000886633611 637619425 /nfs/dbraw/zinc/61/94/25/637619425.db2.gz ZIICIHDDWMXQNJ-CYBMUJFWSA-N 0 0 288.366 3.436 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCS1)c1c([O-])cccc1F ZINC000886646563 637626427 /nfs/dbraw/zinc/62/64/27/637626427.db2.gz MUBQIJYFCLPINQ-WDEREUQCSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCSC1)c1c([O-])cccc1F ZINC000886645110 637627281 /nfs/dbraw/zinc/62/72/81/637627281.db2.gz RJBGDYLZSYSOFP-WDEREUQCSA-N 0 0 269.385 3.325 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H]1CCCOC1 ZINC000886651972 637631268 /nfs/dbraw/zinc/63/12/68/637631268.db2.gz WEVLTKGXRCZGHF-OBJOEFQTSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H]1CCCOC1 ZINC000886651973 637631845 /nfs/dbraw/zinc/63/18/45/637631845.db2.gz WEVLTKGXRCZGHF-SCRDCRAPSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(F)cc1[O-] ZINC000886684500 637650250 /nfs/dbraw/zinc/65/02/50/637650250.db2.gz MPRMFGILZONHQA-SECBINFHSA-N 0 0 276.311 3.248 20 10 CGCDRN CC(C)[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000852648517 637690677 /nfs/dbraw/zinc/69/06/77/637690677.db2.gz PQTZSKGVXPUVOA-CQSZACIVSA-N 0 0 296.798 3.279 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2CC3(CCC3)OC[C@H]2C)cc1C ZINC000853543071 637865737 /nfs/dbraw/zinc/86/57/37/637865737.db2.gz ZPYUJIXVQIGXEG-CQSZACIVSA-N 0 0 275.392 3.152 20 10 CGCDRN CN(C)c1ccc(OCc2cc(C3CC3)no2)cc1 ZINC000853692500 637894100 /nfs/dbraw/zinc/89/41/00/637894100.db2.gz FWUQRQDOWAAHRT-UHFFFAOYSA-N 0 0 258.321 3.197 20 10 CGCDRN CO[C@H](c1nc(Cc2ccc(N)cc2)no1)C1CCCC1 ZINC000854134026 637991891 /nfs/dbraw/zinc/99/18/91/637991891.db2.gz LPNGXCAUNNZDGL-HNNXBMFYSA-N 0 0 287.363 3.120 20 10 CGCDRN CC1(C)CC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000855022919 638134839 /nfs/dbraw/zinc/13/48/39/638134839.db2.gz MNKCXSWTOKGNKG-NSHDSACASA-N 0 0 267.756 3.098 20 10 CGCDRN CCCC[C@@H](C(=O)NCc1ccc(N)cc1)C(C)C ZINC000857097242 638457481 /nfs/dbraw/zinc/45/74/81/638457481.db2.gz LKDGPGWENFTYDN-OAHLLOKOSA-N 0 0 262.397 3.347 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1CCCC1 ZINC000115280446 638515698 /nfs/dbraw/zinc/51/56/98/638515698.db2.gz WXVFWYPXNQZUKF-UHFFFAOYSA-N 0 0 274.408 3.258 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1Cc2ccccc21 ZINC000857547519 638516904 /nfs/dbraw/zinc/51/69/04/638516904.db2.gz IEHLIBKZEFHOAB-CQSZACIVSA-N 0 0 287.746 3.002 20 10 CGCDRN CCCCCCNC(=O)NCc1cc(C)ccc1O ZINC000858108349 638630339 /nfs/dbraw/zinc/63/03/39/638630339.db2.gz CPPNWUYGGMLOOU-UHFFFAOYSA-N 0 0 264.369 3.080 20 10 CGCDRN CC[C@@H](Nc1cnn(CCF)c1)c1ccccc1O ZINC000858492313 638742977 /nfs/dbraw/zinc/74/29/77/638742977.db2.gz VWNZJGOJNOKBIF-CYBMUJFWSA-N 0 0 263.316 3.121 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926946636 638828261 /nfs/dbraw/zinc/82/82/61/638828261.db2.gz CHIFYZFTHSUILP-VHSKPIJISA-N 0 0 277.261 3.380 20 10 CGCDRN CC(C)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cnn(C)c1 ZINC000927066969 638837179 /nfs/dbraw/zinc/83/71/79/638837179.db2.gz PLUDLPCVKUXTMK-MEDUHNTESA-N 0 0 291.370 3.313 20 10 CGCDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cnn(C)c1 ZINC000927071410 638838490 /nfs/dbraw/zinc/83/84/90/638838490.db2.gz SIWDGWUHOJZEPT-ZBEGNZNMSA-N 0 0 291.370 3.313 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc2c1OCC2)c1c([O-])cccc1F ZINC000927089348 638840270 /nfs/dbraw/zinc/84/02/70/638840270.db2.gz ADUYOQIAVCEFLJ-NSHDSACASA-N 0 0 287.334 3.317 20 10 CGCDRN C/C=C(/C=C\C(=O)NCc1c(O)cccc1F)CC ZINC000928705813 638889211 /nfs/dbraw/zinc/88/92/11/638889211.db2.gz NMNOSTPLVWXGEX-PXGQUBIOSA-N 0 0 263.312 3.060 20 10 CGCDRN O=C(Nc1ccc2c(c1)CCC2)N1Cc2cccc(O)c2C1 ZINC000929255686 638912634 /nfs/dbraw/zinc/91/26/34/638912634.db2.gz XZHFPVDXUNLSJI-UHFFFAOYSA-N 0 0 294.354 3.429 20 10 CGCDRN CCN(Cc1ccc(Cl)nn1)c1ccc(OC)cc1 ZINC000929905173 638960318 /nfs/dbraw/zinc/96/03/18/638960318.db2.gz ULAXEDONWIBKRP-UHFFFAOYSA-N 0 0 277.755 3.165 20 10 CGCDRN CCN(CCOC1CCSCC1)c1ccc(OC)cc1 ZINC000929904663 638960379 /nfs/dbraw/zinc/96/03/79/638960379.db2.gz NDHGMNLGUJMZFK-UHFFFAOYSA-N 0 0 295.448 3.434 20 10 CGCDRN O=C(OCCF)N(Cc1ccccc1O)C1CCCC1 ZINC000859007756 639058471 /nfs/dbraw/zinc/05/84/71/639058471.db2.gz KXVJFKQOTGOVIR-UHFFFAOYSA-N 0 0 281.327 3.243 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2CCC2)c1 ZINC000859266418 639122067 /nfs/dbraw/zinc/12/20/67/639122067.db2.gz CXOZLZHVVUMDSV-UHFFFAOYSA-N 0 0 296.370 3.189 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@H]1CCCC12CC2 ZINC000859351600 639132084 /nfs/dbraw/zinc/13/20/84/639132084.db2.gz HDWBGVJHGZWGON-LLVKDONJSA-N 0 0 296.461 3.322 20 10 CGCDRN Cc1cc(CNC(=O)OCCF)c(C)n1-c1ccccc1 ZINC000859362680 639132539 /nfs/dbraw/zinc/13/25/39/639132539.db2.gz HJNDVLLRUHJCHY-UHFFFAOYSA-N 0 0 290.338 3.290 20 10 CGCDRN C[C@H]1CC=C(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862025508 639634713 /nfs/dbraw/zinc/63/47/13/639634713.db2.gz WRXLQKOIFPZACO-LBPRGKRZSA-N 0 0 296.370 3.303 20 10 CGCDRN CC/C(C)=C(\C)C(=O)NCc1ccc2cccnc2c1O ZINC000862026896 639635302 /nfs/dbraw/zinc/63/53/02/639635302.db2.gz BXDBKGLPGWXZPE-VAWYXSNFSA-N 0 0 284.359 3.303 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000934704973 639663004 /nfs/dbraw/zinc/66/30/04/639663004.db2.gz NVHPPNDHEDCPPU-AEGPPILISA-N 0 0 273.376 3.177 20 10 CGCDRN COC(=O)N(C)c1ccc(NCc2ccccc2O)cc1 ZINC000157431845 639990912 /nfs/dbraw/zinc/99/09/12/639990912.db2.gz MPOKKQYIVNQEJX-UHFFFAOYSA-N 0 0 286.331 3.207 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000158029865 639995892 /nfs/dbraw/zinc/99/58/92/639995892.db2.gz UNVMOSHKBCQKMT-UHFFFAOYSA-N 0 0 289.762 3.440 20 10 CGCDRN CCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000048608130 640061537 /nfs/dbraw/zinc/06/15/37/640061537.db2.gz NIMGLUOGTFSAKI-UHFFFAOYSA-N 0 0 262.378 3.295 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1sc(C)nc1C ZINC000159802661 640070560 /nfs/dbraw/zinc/07/05/60/640070560.db2.gz KZKJSNZPMDCIBH-UHFFFAOYSA-N 0 0 274.389 3.331 20 10 CGCDRN Cc1conc1NCc1cccc(Br)c1O ZINC000191568099 640319406 /nfs/dbraw/zinc/31/94/06/640319406.db2.gz MWORPJCKGSDUOR-UHFFFAOYSA-N 0 0 283.125 3.063 20 10 CGCDRN C[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C[C@@H](C)C1 ZINC000252113268 640837225 /nfs/dbraw/zinc/83/72/25/640837225.db2.gz JVWWUGFYVLNSER-YABSGUDNSA-N 0 0 261.369 3.215 20 10 CGCDRN COc1cc(-c2nc3c([nH]2)c(C)ccc3F)cc(O)c1O ZINC001250488554 805648732 /nfs/dbraw/zinc/64/87/32/805648732.db2.gz KPYJPXPEDKRWTJ-UHFFFAOYSA-N 0 0 288.278 3.097 20 10 CGCDRN CCCc1cc(N(C)Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC001156921029 805753207 /nfs/dbraw/zinc/75/32/07/805753207.db2.gz PMFKVOFNRNYTCK-UHFFFAOYSA-N 0 0 298.434 3.440 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ncc(C3CC3)cn2)cc1 ZINC001156924287 805753382 /nfs/dbraw/zinc/75/33/82/805753382.db2.gz VYYXVXAHRYGMJK-UHFFFAOYSA-N 0 0 282.391 3.056 20 10 CGCDRN CSC(C)(C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157042079 805768692 /nfs/dbraw/zinc/76/86/92/805768692.db2.gz WGSMJQDNDOTDNI-UHFFFAOYSA-N 0 0 289.400 3.303 20 10 CGCDRN CCn1c(C(=O)NCc2ccccc2O)cc2ccccc21 ZINC001251472388 805900542 /nfs/dbraw/zinc/90/05/42/805900542.db2.gz UNEFEVCQOVHZQW-UHFFFAOYSA-N 0 0 294.354 3.297 20 10 CGCDRN CC(C)COc1cccc(NCc2ccc(O)c(O)c2)n1 ZINC001158997384 806028480 /nfs/dbraw/zinc/02/84/80/806028480.db2.gz FUVGHASDHIAMJI-UHFFFAOYSA-N 0 0 288.347 3.140 20 10 CGCDRN Oc1ccc(CNc2nccc3c4c([nH]c32)CCC4)cc1O ZINC001159005454 806029919 /nfs/dbraw/zinc/02/99/19/806029919.db2.gz LLZZTBGSPGWGAX-UHFFFAOYSA-N 0 0 295.342 3.075 20 10 CGCDRN Nc1ccc(Nc2cncc(N3CCCCC3)c2)cc1 ZINC001159364621 806086774 /nfs/dbraw/zinc/08/67/74/806086774.db2.gz VEOYIOJECULJEX-UHFFFAOYSA-N 0 0 268.364 3.398 20 10 CGCDRN Nc1ccc(Nc2ccc3[nH]c(=O)sc3c2)cc1 ZINC001159515338 806115483 /nfs/dbraw/zinc/11/54/83/806115483.db2.gz DUFIDKTXISJVBQ-UHFFFAOYSA-N 0 0 257.318 3.328 20 10 CGCDRN Cc1cccc(F)c1C(=O)N(C)Cc1ccccc1O ZINC001252974826 806144001 /nfs/dbraw/zinc/14/40/01/806144001.db2.gz OTDPICJCPJTJEW-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN Cc1cccc(CNc2ncnc3ccc(F)cc32)c1O ZINC001160765259 806300103 /nfs/dbraw/zinc/30/01/03/806300103.db2.gz YCKKAXLUHQQXIR-UHFFFAOYSA-N 0 0 283.306 3.395 20 10 CGCDRN Cc1cccc(CNc2nccc3occc32)c1O ZINC001160764115 806300399 /nfs/dbraw/zinc/30/03/99/806300399.db2.gz BXSWOFLFECYXFB-UHFFFAOYSA-N 0 0 254.289 3.454 20 10 CGCDRN Cc1cccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1 ZINC001161066178 806346701 /nfs/dbraw/zinc/34/67/01/806346701.db2.gz GNGCHTVNGIFERD-JTQLQIEISA-N 0 0 289.306 3.036 20 10 CGCDRN CCON(CC1CCCCC1)C(=O)C1=CC(=O)CS1 ZINC001161356963 806368625 /nfs/dbraw/zinc/36/86/25/806368625.db2.gz IDBBLOQUVZIUON-UHFFFAOYSA-N 0 0 283.393 3.428 20 10 CGCDRN Cc1ncnc(NCc2c(O)ccc3c2CCCC3)c1C ZINC001162626615 806630670 /nfs/dbraw/zinc/63/06/70/806630670.db2.gz ZUNUDHYQTXAMRC-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN Cc1cccc2nc(NCCc3ccc(O)c(O)c3)oc21 ZINC001162685880 806645775 /nfs/dbraw/zinc/64/57/75/806645775.db2.gz FUXZTTOHYSKXFZ-UHFFFAOYSA-N 0 0 284.315 3.202 20 10 CGCDRN Nc1ccc(CNc2cc3nccc(Cl)c3cn2)cc1 ZINC001162785460 806666114 /nfs/dbraw/zinc/66/61/14/806666114.db2.gz FCCBZPKPEFUNKJ-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN CCNC(=O)c1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000036952642 798852653 /nfs/dbraw/zinc/85/26/53/798852653.db2.gz BAZGZFZPUGNAJE-GFCCVEGCSA-N 0 0 284.359 3.315 20 10 CGCDRN CCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000048642734 798892419 /nfs/dbraw/zinc/89/24/19/798892419.db2.gz BUWVZTRDTFXLLV-XFXZXTDPSA-N 0 0 293.413 3.306 20 10 CGCDRN Cc1cc(Cl)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC000243583013 799146769 /nfs/dbraw/zinc/14/67/69/799146769.db2.gz OPNMPBFDOAKNBD-UHFFFAOYSA-N 0 0 291.734 3.241 20 10 CGCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)C1CCC1 ZINC000385240344 799423242 /nfs/dbraw/zinc/42/32/42/799423242.db2.gz VIOGMGNIHXSSCM-UHFFFAOYSA-N 0 0 261.369 3.217 20 10 CGCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])ccn1 ZINC000391111316 799477025 /nfs/dbraw/zinc/47/70/25/799477025.db2.gz CFNLDWFXJXBKNM-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000397399838 799516965 /nfs/dbraw/zinc/51/69/65/799516965.db2.gz TYNYXSLYWKIEMJ-CYBMUJFWSA-N 0 0 290.190 3.215 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397810392 799521120 /nfs/dbraw/zinc/52/11/20/799521120.db2.gz IRLKJPGCQMZEHP-JGPRNRPPSA-N 0 0 282.181 3.043 20 10 CGCDRN CCOc1cccc(CN[C@H]2CCCC2(F)F)c1O ZINC000398008627 799524641 /nfs/dbraw/zinc/52/46/41/799524641.db2.gz RNKUVTTTXPMZLG-LBPRGKRZSA-N 0 0 271.307 3.068 20 10 CGCDRN COc1ccc(CN[C@H]2CCCC2(F)F)cc1C ZINC000398041209 799525651 /nfs/dbraw/zinc/52/56/51/799525651.db2.gz PJIQKBOOVMQUAW-ZDUSSCGKSA-N 0 0 255.308 3.281 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588405471 799689374 /nfs/dbraw/zinc/68/93/74/799689374.db2.gz UNVRLLGDDJLNPX-HKBVPSITSA-N 0 0 297.354 3.297 20 10 CGCDRN CCc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588403714 799689458 /nfs/dbraw/zinc/68/94/58/799689458.db2.gz XLAQFJQWDVYVOD-CLFYSBASSA-N 0 0 283.327 3.312 20 10 CGCDRN Cc1cc(Cl)ccc1/C=C1/SC(=S)N(C)C1=O ZINC000588476309 799698878 /nfs/dbraw/zinc/69/88/78/799698878.db2.gz JVZHKBQPVSPDOF-UXBLZVDNSA-N 0 0 283.805 3.479 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccnc(N)n1 ZINC001163488877 806770106 /nfs/dbraw/zinc/77/01/06/806770106.db2.gz ZCUXFMDRRAGECA-HNNXBMFYSA-N 0 0 298.390 3.117 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1cccc3c1CCO3)CC2 ZINC000690193213 799774392 /nfs/dbraw/zinc/77/43/92/799774392.db2.gz TVLHQSFDANDZCW-AWEZNQCLSA-N 0 0 267.328 3.427 20 10 CGCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])CC(F)F ZINC000700030015 799868443 /nfs/dbraw/zinc/86/84/43/799868443.db2.gz PSANAOYWBFPKFR-QMMMGPOBSA-N 0 0 263.715 3.427 20 10 CGCDRN CN(Cc1c(O)cccc1Br)CC(F)(F)F ZINC000707144175 799973744 /nfs/dbraw/zinc/97/37/44/799973744.db2.gz ZTRPVYXNPVLMJO-UHFFFAOYSA-N 0 0 298.102 3.149 20 10 CGCDRN CS[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708466984 799989058 /nfs/dbraw/zinc/98/90/58/799989058.db2.gz WWFDGIXHPUWXRI-MNOVXSKESA-N 0 0 273.348 3.044 20 10 CGCDRN CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000708665181 799991913 /nfs/dbraw/zinc/99/19/13/799991913.db2.gz SCDLWTRAUUTDAH-DKTWLAJQSA-N 0 0 290.190 3.214 20 10 CGCDRN C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708548461 799992838 /nfs/dbraw/zinc/99/28/38/799992838.db2.gz FUTLILOKGBVNJR-SKDRFNHKSA-N 0 0 255.308 3.339 20 10 CGCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000709079101 800002123 /nfs/dbraw/zinc/00/21/23/800002123.db2.gz JGSUFHHDYAUGLN-MQIPJXDCSA-N 0 0 273.380 3.359 20 10 CGCDRN CN(C[C@H]1CC(C)(C)OC1(C)C)c1ccc(N)cc1 ZINC000709703428 800014167 /nfs/dbraw/zinc/01/41/67/800014167.db2.gz UAZLEETWYLDYNV-GFCCVEGCSA-N 0 0 262.397 3.299 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]C1(CO)CCCCCCC1 ZINC000713497977 800112382 /nfs/dbraw/zinc/11/23/82/800112382.db2.gz YICWHFJMAWFZIS-UHFFFAOYSA-N 0 0 281.371 3.096 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000714438050 800121686 /nfs/dbraw/zinc/12/16/86/800121686.db2.gz LCBOVVXYQVLZHW-OCCSQVGLSA-N 0 0 261.365 3.177 20 10 CGCDRN C[C@H]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000714438045 800121904 /nfs/dbraw/zinc/12/19/04/800121904.db2.gz LCBOVVXYQVLZHW-GXTWGEPZSA-N 0 0 261.365 3.177 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC12CC2 ZINC000715355362 800134073 /nfs/dbraw/zinc/13/40/73/800134073.db2.gz OKNQHZKEWMYLTB-JTQLQIEISA-N 0 0 258.148 3.341 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(F)cc1[O-] ZINC000722337583 800315761 /nfs/dbraw/zinc/31/57/61/800315761.db2.gz NINYMTXAOXKBKC-NKFCBESUSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000725086473 800372060 /nfs/dbraw/zinc/37/20/60/800372060.db2.gz SEPYGQQOYMBZLE-ABAIWWIYSA-N 0 0 281.371 3.123 20 10 CGCDRN c1nc([C@@H]2CCCN2Cc2ccc(N3CCCC3)cc2)no1 ZINC001116443095 802349516 /nfs/dbraw/zinc/34/95/16/802349516.db2.gz FRJGWSOCWJCWTD-INIZCTEOSA-N 0 0 298.390 3.007 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)CF)cc1 ZINC001116633893 802387918 /nfs/dbraw/zinc/38/79/18/802387918.db2.gz LUBILQAMLYZQQX-UHFFFAOYSA-N 0 0 295.402 3.080 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CCC[C@H](F)C3)n2)cc1 ZINC001118243695 802541251 /nfs/dbraw/zinc/54/12/51/802541251.db2.gz YRHRJJKJYMDZFP-NEPJUHHUSA-N 0 0 275.327 3.238 20 10 CGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC001118763879 802599512 /nfs/dbraw/zinc/59/95/12/802599512.db2.gz MWXRMYRKNOHNGV-VHSXEESVSA-N 0 0 253.367 3.010 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc(CO)ccc2F)cc1 ZINC001119255174 802639528 /nfs/dbraw/zinc/63/95/28/802639528.db2.gz QVMJDXLNVCHEMI-UHFFFAOYSA-N 0 0 289.350 3.353 20 10 CGCDRN Nc1ccc(CNC(=O)NCCC2CCCCC2)cc1 ZINC001120571514 802750071 /nfs/dbraw/zinc/75/00/71/802750071.db2.gz PIHOPPOJQGSHIF-UHFFFAOYSA-N 0 0 275.396 3.038 20 10 CGCDRN CCCCCC(C)(C)C(=O)NCc1ccc(N)cc1 ZINC001122536188 802874973 /nfs/dbraw/zinc/87/49/73/802874973.db2.gz UTGDYZMPLMNTLW-UHFFFAOYSA-N 0 0 262.397 3.492 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](C)C1(F)F ZINC001123871820 802977741 /nfs/dbraw/zinc/97/77/41/802977741.db2.gz AVVQSDMWPFVUQC-RISCZKNCSA-N 0 0 297.345 3.422 20 10 CGCDRN Cc1cc(F)ncc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001243761348 802987217 /nfs/dbraw/zinc/98/72/17/802987217.db2.gz HSZCJGUTFRMVEW-UHFFFAOYSA-N 0 0 268.291 3.048 20 10 CGCDRN O=c1cc(-c2cnccc2C2CC2)ccn1CC(F)(F)F ZINC001244285580 803278652 /nfs/dbraw/zinc/27/86/52/803278652.db2.gz QTPINVRNPFSWCK-UHFFFAOYSA-N 0 0 294.276 3.350 20 10 CGCDRN C=C/C=C/CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001136181059 803635217 /nfs/dbraw/zinc/63/52/17/803635217.db2.gz ZSSRXJOTZHWIHJ-AATRIKPKSA-N 0 0 284.403 3.376 20 10 CGCDRN Cn1ccc2ncc(-c3cncc(OCC4CC4)c3)cc21 ZINC001245244693 803677394 /nfs/dbraw/zinc/67/73/94/803677394.db2.gz GHUIWRNTZGDYBJ-UHFFFAOYSA-N 0 0 279.343 3.424 20 10 CGCDRN COc1ccc2c(c1)C[N@@H+](Cc1c([O-])cccc1F)CC2 ZINC001137832075 803777425 /nfs/dbraw/zinc/77/74/25/803777425.db2.gz ZVUXHRCTKMPLGJ-UHFFFAOYSA-N 0 0 287.334 3.098 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2c([O-])cccc2F)c1 ZINC001137837615 803780377 /nfs/dbraw/zinc/78/03/77/803780377.db2.gz NUORWULMMFMPDA-UHFFFAOYSA-N 0 0 275.323 3.172 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C ZINC001138122582 803862324 /nfs/dbraw/zinc/86/23/24/803862324.db2.gz ONJWDXDVPDNHMH-NEPJUHHUSA-N 0 0 251.345 3.399 20 10 CGCDRN CCC[N@@H+](Cc1c(F)ccc(F)c1[O-])CC1CC1 ZINC001139679201 804249817 /nfs/dbraw/zinc/24/98/17/804249817.db2.gz MEEFTLCPVPWXDI-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])[C@H]1C ZINC001139682824 804252249 /nfs/dbraw/zinc/25/22/49/804252249.db2.gz DBVCMMRZNVEJME-UWVGGRQHSA-N 0 0 255.308 3.291 20 10 CGCDRN CC[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686068 804253654 /nfs/dbraw/zinc/25/36/54/804253654.db2.gz METZRMKWTYDQAF-JTQLQIEISA-N 0 0 255.308 3.435 20 10 CGCDRN CCN(Cc1ccccn1)Cc1c(F)ccc(F)c1[O-] ZINC001139686429 804254007 /nfs/dbraw/zinc/25/40/07/804254007.db2.gz ZCQNESNASZBCIK-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN O=C1CCN(Cc2c(O)cccc2Cl)[C@H]2CCCC[C@H]12 ZINC001140337909 804418348 /nfs/dbraw/zinc/41/83/48/804418348.db2.gz MHVBGUDKYYMHPE-FZMZJTMJSA-N 0 0 293.794 3.379 20 10 CGCDRN OCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001140461777 804442051 /nfs/dbraw/zinc/44/20/51/804442051.db2.gz UAEURKUSHOKBPF-UHFFFAOYSA-N 0 0 291.778 3.040 20 10 CGCDRN Cc1noc([C@@H]2CCCN2Cc2ccc(Cl)cc2O)n1 ZINC001140466138 804442983 /nfs/dbraw/zinc/44/29/83/804442983.db2.gz YMVHJZRTZYDWHI-LBPRGKRZSA-N 0 0 293.754 3.074 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CGCDRN CC(C)(C)c1ccc(O)c(CN2CCC(=O)C(F)(F)C2)c1 ZINC001233286113 818568698 /nfs/dbraw/zinc/56/86/98/818568698.db2.gz GDTGLJLZFMNCNB-UHFFFAOYSA-N 0 0 297.345 3.100 20 10 CGCDRN CCC1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332531 818584310 /nfs/dbraw/zinc/58/43/10/818584310.db2.gz OFVNIDQDNBCQRO-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN CCN1CCc2cc(O[C@H](C)C3CCOCC3)ccc21 ZINC001233607450 818657690 /nfs/dbraw/zinc/65/76/90/818657690.db2.gz KWQAYFOWWYPMGC-CYBMUJFWSA-N 0 0 275.392 3.263 20 10 CGCDRN CC[C@H](Oc1cc(O)c(O)cc1C(C)=O)C(C)C ZINC001234478131 818864224 /nfs/dbraw/zinc/86/42/24/818864224.db2.gz XUAYICHXHQHGOK-ZDUSSCGKSA-N 0 0 252.310 3.114 20 10 CGCDRN O=C1CCCN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993883 818972186 /nfs/dbraw/zinc/97/21/86/818972186.db2.gz CGVKHERXHBBUJG-UHFFFAOYSA-N 0 0 281.355 3.224 20 10 CGCDRN CC(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235680509 819140561 /nfs/dbraw/zinc/14/05/61/819140561.db2.gz VQRVQZLJLSGQAA-ZDUSSCGKSA-N 0 0 275.392 3.101 20 10 CGCDRN Cc1cc(-c2cc(=O)n(C)c3ccccc23)cnc1F ZINC001243398397 823391479 /nfs/dbraw/zinc/39/14/79/823391479.db2.gz STWWRSIDDFSVFQ-UHFFFAOYSA-N 0 0 268.291 3.048 20 10 CGCDRN CC(C)Oc1ncccc1-c1ccnc2c1ccn2C ZINC001236105671 819322690 /nfs/dbraw/zinc/32/26/90/819322690.db2.gz IFUAJINKCICYHV-UHFFFAOYSA-N 0 0 267.332 3.423 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001236671752 819567930 /nfs/dbraw/zinc/56/79/30/819567930.db2.gz XVACNRZQWGAJIE-MFKMUULPSA-N 0 0 296.208 3.447 20 10 CGCDRN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798108 819599078 /nfs/dbraw/zinc/59/90/78/819599078.db2.gz GSPICCIJOZJITJ-SCZZXKLOSA-N 0 0 290.190 3.044 20 10 CGCDRN COc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)c([O-])c1Cl ZINC001236802499 819599740 /nfs/dbraw/zinc/59/97/40/819599740.db2.gz QZUIDDMSLDVYQE-LLVKDONJSA-N 0 0 287.762 3.378 20 10 CGCDRN COc1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)c([O-])c1Cl ZINC001236802531 819600814 /nfs/dbraw/zinc/60/08/14/819600814.db2.gz RZHNXKKLZCEOFQ-AWEZNQCLSA-N 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/nfs/dbraw/zinc/84/77/31/819847731.db2.gz YQHWPRCHDAFQFG-GFCCVEGCSA-N 0 0 287.762 3.186 20 10 CGCDRN CCC[N@H+](CCOC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807493 819847837 /nfs/dbraw/zinc/84/78/37/819847837.db2.gz KJGUHSJDSOUHRW-UHFFFAOYSA-N 0 0 275.751 3.043 20 10 CGCDRN C[N@H+](CCC1CC1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237806834 819848201 /nfs/dbraw/zinc/84/82/01/819848201.db2.gz WDEBQFWVSQLKHN-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN CCCCOC1CN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237936535 819888219 /nfs/dbraw/zinc/88/82/19/819888219.db2.gz KGXIPLGAQOXWQL-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN Cc1cc(F)cc(CN2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001238064792 819921002 /nfs/dbraw/zinc/92/10/02/819921002.db2.gz QNVKBGZZZZUYPZ-TZMCWYRMSA-N 0 0 273.298 3.112 20 10 CGCDRN Cn1c(=O)ccc2ccc(-c3ccc(C4CC4)nc3)cc21 ZINC001238855233 820136129 /nfs/dbraw/zinc/13/61/29/820136129.db2.gz TVGQWSRXDKGUGH-UHFFFAOYSA-N 0 0 276.339 3.478 20 10 CGCDRN Fc1ccc(Cn2ccc3c2ncnc3-c2cnoc2)cc1 ZINC001239169534 820223753 /nfs/dbraw/zinc/22/37/53/820223753.db2.gz VMIBXHWYFKLENK-UHFFFAOYSA-N 0 0 294.289 3.274 20 10 CGCDRN CC(C)CCn1cc(-c2nccc3c2ccn3C)cn1 ZINC001240419125 821040597 /nfs/dbraw/zinc/04/05/97/821040597.db2.gz VXQOMSHQQBHDEA-UHFFFAOYSA-N 0 0 268.364 3.483 20 10 CGCDRN Cn1ccc2ccc(-c3cncc(N4CCCC4)n3)cc21 ZINC001240570684 821157046 /nfs/dbraw/zinc/15/70/46/821157046.db2.gz BLFHDHFXKOFUEK-UHFFFAOYSA-N 0 0 278.359 3.236 20 10 CGCDRN Cc1cc2ncnc(-c3ccc4ccn(C)c4c3)c2[nH]1 ZINC001240572196 821158375 /nfs/dbraw/zinc/15/83/75/821158375.db2.gz SVDQMTRZJRYATQ-UHFFFAOYSA-N 0 0 262.316 3.425 20 10 CGCDRN Cc1cn2cc(-c3ccc4ccn(C)c4c3)cnc2n1 ZINC001240574107 821159950 /nfs/dbraw/zinc/15/99/50/821159950.db2.gz SUHXLPSWGDTLOD-UHFFFAOYSA-N 0 0 262.316 3.196 20 10 CGCDRN CC(C)Cn1cc(-c2ccnc3c2ccn3C)cn1 ZINC001240891435 821394409 /nfs/dbraw/zinc/39/44/09/821394409.db2.gz IBZIFQWKYPIYPS-UHFFFAOYSA-N 0 0 254.337 3.093 20 10 CGCDRN CC(C)(C)Oc1ncccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001241152246 821603921 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/nfs/dbraw/zinc/16/06/50/822160650.db2.gz GQFBWOWNLLCCFA-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN Cn1ccc2c1cccc2-c1nccc2nccnc21 ZINC001241819866 822161145 /nfs/dbraw/zinc/16/11/45/822161145.db2.gz VVAOTBYWHQEZPS-UHFFFAOYSA-N 0 0 260.300 3.184 20 10 CGCDRN CC(C)Oc1nccnc1-c1cccc2c1ccn2C ZINC001241822630 822163717 /nfs/dbraw/zinc/16/37/17/822163717.db2.gz UTVSIBOEWKQQGX-UHFFFAOYSA-N 0 0 267.332 3.423 20 10 CGCDRN Cn1ccc2c1cccc2-c1cnc(OCC2CC2)cn1 ZINC001241823460 822165104 /nfs/dbraw/zinc/16/51/04/822165104.db2.gz PWQRCNQWYLUHDA-UHFFFAOYSA-N 0 0 279.343 3.424 20 10 CGCDRN Cc1nc2cncc(-c3cccc4c3ccn4C)c2[nH]1 ZINC001241823680 822165359 /nfs/dbraw/zinc/16/53/59/822165359.db2.gz BNDFAOYZRCUNTF-UHFFFAOYSA-N 0 0 262.316 3.425 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2cnccc2C(F)(F)F)n1 ZINC001242276854 822934557 /nfs/dbraw/zinc/93/45/57/822934557.db2.gz CKDUJNHJWOTSGP-UHFFFAOYSA-N 0 0 292.264 3.358 20 10 CGCDRN CC1(C)C2CCC1(C(=O)NCCc1ccc(N)cc1)CC2 ZINC001339716575 936383744 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/nfs/dbraw/zinc/80/52/85/928805285.db2.gz CBKFZBKBHRVGOC-NSHDSACASA-N 0 0 268.316 3.384 20 10 CGCDRN Cc1ccccc1[C@@H](C)C(=O)NCc1ccccc1O ZINC001445967132 937360597 /nfs/dbraw/zinc/36/05/97/937360597.db2.gz AWOJNYQFHLERIW-CYBMUJFWSA-N 0 0 269.344 3.121 20 10 CGCDRN CCC[C@@H](NC(=O)c1cccc(O)c1O)C1CCCC1 ZINC001451259760 937389740 /nfs/dbraw/zinc/38/97/40/937389740.db2.gz YKLJQUWZJOCOGT-CYBMUJFWSA-N 0 0 277.364 3.187 20 10 CGCDRN O=C(/C=C\c1cccs1)NCc1cc(Cl)ccc1O ZINC001452938319 937399138 /nfs/dbraw/zinc/39/91/38/937399138.db2.gz WSJYRWMPMKSPKU-XQRVVYSFSA-N 0 0 293.775 3.437 20 10 CGCDRN Cc1ccsc1C(=O)NCc1cc(Cl)ccc1O ZINC001452944250 937399780 /nfs/dbraw/zinc/39/97/80/937399780.db2.gz JRPVJGGPPZDAPO-UHFFFAOYSA-N 0 0 281.764 3.346 20 10 CGCDRN O=[N+]([O-])c1cnc(SCc2ccccc2F)s1 ZINC001458715311 937472372 /nfs/dbraw/zinc/47/23/72/937472372.db2.gz AMJZTPSKBUGUCD-UHFFFAOYSA-N 0 0 270.310 3.483 20 10 CGCDRN NC(=O)c1ccc(CSc2ncc(Cl)s2)cc1 ZINC001459199676 937481806 /nfs/dbraw/zinc/48/18/06/937481806.db2.gz PYQIIOLXEUZLNY-UHFFFAOYSA-N 0 0 284.793 3.188 20 10 CGCDRN CN(Cc1cnns1)c1ccc(-c2nccs2)cc1 ZINC001460210998 937520858 /nfs/dbraw/zinc/52/08/58/937520858.db2.gz WRTBWQAKAXVMGU-UHFFFAOYSA-N 0 0 288.401 3.298 20 10 CGCDRN Cc1ccc(C)c(CN2CC[C@@H](CF)C(F)(F)C2)c1O ZINC001140178452 931957468 /nfs/dbraw/zinc/95/74/68/931957468.db2.gz LZNZLHFYKAZCNM-LBPRGKRZSA-N 0 0 287.325 3.436 20 10 CGCDRN Cc1cccc(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)c1O ZINC001160769983 931984167 /nfs/dbraw/zinc/98/41/67/931984167.db2.gz OONXYBOANMEEND-UHFFFAOYSA-N 0 0 298.302 3.097 20 10 CGCDRN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C)c2O)n1 ZINC001160770184 931984348 /nfs/dbraw/zinc/98/43/48/931984348.db2.gz VUZRANBWBPNAKA-UHFFFAOYSA-N 0 0 287.319 3.233 20 10 CGCDRN Cn1cc(NCc2cc(F)ccc2O)c(-c2ccco2)n1 ZINC001462439686 937641377 /nfs/dbraw/zinc/64/13/77/937641377.db2.gz LYSXURIKSDBNAX-UHFFFAOYSA-N 0 0 287.294 3.137 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@]1(C)CCCCO1 ZINC001308675088 933155129 /nfs/dbraw/zinc/15/51/29/933155129.db2.gz STRLJBCVAHDSKD-KRWDZBQOSA-N 0 0 275.392 3.407 20 10 CGCDRN CN(Cc1cc2cnccc2o1)c1ccc2c(c1)OCO2 ZINC001308676232 933156503 /nfs/dbraw/zinc/15/65/03/933156503.db2.gz GRSNFNZLDDIXHV-UHFFFAOYSA-N 0 0 282.299 3.193 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC001308951778 933211146 /nfs/dbraw/zinc/21/11/46/933211146.db2.gz FLWJVTHVNSXHQE-LBPRGKRZSA-N 0 0 297.345 3.252 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001308958367 933212665 /nfs/dbraw/zinc/21/26/65/933212665.db2.gz KYNGFEYZJJISHL-UHFFFAOYSA-N 0 0 255.308 3.196 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@H]1C ZINC001311418756 933298387 /nfs/dbraw/zinc/29/83/87/933298387.db2.gz RJGYDQIJBKWNOV-UHIISALHSA-N 0 0 294.370 3.155 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CC=CCC1 ZINC001321102880 934150484 /nfs/dbraw/zinc/15/04/84/934150484.db2.gz ANJIYUIICCKAFL-QMMMGPOBSA-N 0 0 277.711 3.171 20 10 CGCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001470446146 937753061 /nfs/dbraw/zinc/75/30/61/937753061.db2.gz YZBBQZMUOUZWKD-HIFRSBDPSA-N 0 0 296.798 3.279 20 10 CGCDRN CC(C)CCC(=O)Nc1c2nonc2ccc1Cl ZINC001322263792 934267249 /nfs/dbraw/zinc/26/72/49/934267249.db2.gz LMWFKBQLTPCFEU-UHFFFAOYSA-N 0 0 267.716 3.251 20 10 CGCDRN O=C(c1cnc2ccsc2c1)N1Cc2cccc(O)c2C1 ZINC001471355572 937764802 /nfs/dbraw/zinc/76/48/02/937764802.db2.gz LSHZVWWOYZICJU-UHFFFAOYSA-N 0 0 296.351 3.158 20 10 CGCDRN O=C(c1cc(Cl)cs1)N1Cc2cccc(O)c2C1 ZINC001471355373 937764852 /nfs/dbraw/zinc/76/48/52/937764852.db2.gz HUCURCCGXNSQJT-UHFFFAOYSA-N 0 0 279.748 3.263 20 10 CGCDRN CC(C)(C(=O)NCc1cc(O)ccc1O)C1CCCCC1 ZINC001471661044 937768059 /nfs/dbraw/zinc/76/80/59/937768059.db2.gz FOJLFSOBVVFBGH-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN O=[N+]([O-])c1cnc(SC[C@@H]2CC2(Cl)Cl)s1 ZINC001472663709 937779861 /nfs/dbraw/zinc/77/98/61/937779861.db2.gz KXUSJFPRPCTJSD-BYPYZUCNSA-N 0 0 285.177 3.337 20 10 CGCDRN COC[C@@H](CN(C)c1ccc(OC)c(OC)c1)C(C)C ZINC001473133527 937793599 /nfs/dbraw/zinc/79/35/99/937793599.db2.gz YNUWVFXEUCKVRJ-CYBMUJFWSA-N 0 0 281.396 3.059 20 10 CGCDRN COC[C@H](CN(C)c1ccc(OC)c(OC)c1)C(C)C ZINC001473133528 937793704 /nfs/dbraw/zinc/79/37/04/937793704.db2.gz YNUWVFXEUCKVRJ-ZDUSSCGKSA-N 0 0 281.396 3.059 20 10 CGCDRN Cc1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001324857231 934866590 /nfs/dbraw/zinc/86/65/90/934866590.db2.gz HLRWEQFXYTYDHK-UHFFFAOYSA-N 0 0 287.706 3.437 20 10 CGCDRN CCC[C@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001325346944 934906888 /nfs/dbraw/zinc/90/68/88/934906888.db2.gz ZUUSGUHPVSHNSW-ZETCQYMHSA-N 0 0 267.716 3.251 20 10 CGCDRN C[C@@H](Oc1ccc(N2CCCCC2)c(Cl)c1)[C@H](C)O ZINC001328605413 935151372 /nfs/dbraw/zinc/15/13/72/935151372.db2.gz SARCIJIOXCOJGH-NWDGAFQWSA-N 0 0 283.799 3.478 20 10 CGCDRN Cn1cc(Cl)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC001330847245 935328140 /nfs/dbraw/zinc/32/81/40/935328140.db2.gz VUPWPLKLQNMOFE-UHFFFAOYSA-N 0 0 290.798 3.286 20 10 CGCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccco1 ZINC001331789886 935409910 /nfs/dbraw/zinc/40/99/10/935409910.db2.gz NVVACZVSLIDFGF-CYBMUJFWSA-N 0 0 286.375 3.156 20 10 CGCDRN Cc1coc(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC001331872569 935416951 /nfs/dbraw/zinc/41/69/51/935416951.db2.gz ITRIKEYXZJSWMH-LLVKDONJSA-N 0 0 259.305 3.093 20 10 CGCDRN CCc1ccccc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC001332958149 935500033 /nfs/dbraw/zinc/50/00/33/935500033.db2.gz RQSIOZVWXRZFON-UHFFFAOYSA-N 0 0 296.370 3.180 20 10 CGCDRN CCC[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCC1 ZINC001336290433 936186778 /nfs/dbraw/zinc/18/67/78/936186778.db2.gz NRKYLKLWBOJTBP-OAHLLOKOSA-N 0 0 275.396 3.037 20 10 CGCDRN C=CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001336704740 936208492 /nfs/dbraw/zinc/20/84/92/936208492.db2.gz CGFCWFZGFRZFPI-UHFFFAOYSA-N 0 0 284.359 3.060 20 10 CGCDRN C[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC001337019801 936232964 /nfs/dbraw/zinc/23/29/64/936232964.db2.gz VOFPTNKVNWJLKA-GUYCJALGSA-N 0 0 295.386 3.171 20 10 CGCDRN C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC001337096123 936237062 /nfs/dbraw/zinc/23/70/62/936237062.db2.gz YJKUSSGZIDWFNZ-LIRRHRJNSA-N 0 0 294.398 3.421 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)nc(C)c1 ZINC001337131054 936238712 /nfs/dbraw/zinc/23/87/12/936238712.db2.gz BXIGNIKJKCXJRU-UHFFFAOYSA-N 0 0 298.386 3.456 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCc2cccs2)c1 ZINC001474070947 937838795 /nfs/dbraw/zinc/83/87/95/937838795.db2.gz OZJIEKAPIYPQTI-UHFFFAOYSA-N 0 0 292.360 3.084 20 10 CGCDRN COCCN(Cc1cc(C(C)C)ccc1O)CC(F)F ZINC001474313003 937850637 /nfs/dbraw/zinc/85/06/37/937850637.db2.gz VFUCIOINWVHRPI-UHFFFAOYSA-N 0 0 287.350 3.229 20 10 CGCDRN CC[C@@H](C)[C@H](CN(C)c1ccc(OC)c(OC)c1)OC ZINC001474601771 937869856 /nfs/dbraw/zinc/86/98/56/937869856.db2.gz VHDIXNYIZSYILP-WBMJQRKESA-N 0 0 281.396 3.201 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC001474707516 937876105 /nfs/dbraw/zinc/87/61/05/937876105.db2.gz YPGWNCXVWXYBRF-CLYYMRHHSA-N 0 0 299.386 3.434 20 10 CGCDRN CCC1(CC)[C@@H]([NH2+]Cc2c([O-])cccc2F)C[C@@H]1OC ZINC001474716231 937876866 /nfs/dbraw/zinc/87/68/66/937876866.db2.gz FYZWBKIDTXVCMO-GJZGRUSLSA-N 0 0 281.371 3.215 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC001474730184 937877336 /nfs/dbraw/zinc/87/73/36/937877336.db2.gz PPVYGIOPENSJQA-HNNXBMFYSA-N 0 0 297.345 3.252 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCCC2CCCC2)c1 ZINC001477276033 937893976 /nfs/dbraw/zinc/89/39/76/937893976.db2.gz RIMUNEHNUHNZFN-UHFFFAOYSA-N 0 0 290.407 3.470 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccccc1N(C)C ZINC001519314959 938018824 /nfs/dbraw/zinc/01/88/24/938018824.db2.gz ZKRUSVVDQVONOZ-WYMLVPIESA-N 0 0 295.386 3.214 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccsc1 ZINC001527332808 938061110 /nfs/dbraw/zinc/06/11/10/938061110.db2.gz DJARRXIYYUOKOJ-ONEGZZNKSA-N 0 0 258.346 3.128 20 10 CGCDRN C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001563482807 938151412 /nfs/dbraw/zinc/15/14/12/938151412.db2.gz NQPHSLNFEALASQ-ZWNOBZJWSA-N 0 0 296.798 3.424 20 10 CGCDRN C[C@@H](NC(=O)c1cc(Cl)ncc1F)c1ccccc1O ZINC001557968009 938212819 /nfs/dbraw/zinc/21/28/19/938212819.db2.gz OOPDQROSTCQYNZ-MRVPVSSYSA-N 0 0 294.713 3.071 20 10 CGCDRN C[C@H](NC(=O)c1c(F)ccnc1Cl)c1ccccc1O ZINC001557968610 938212924 /nfs/dbraw/zinc/21/29/24/938212924.db2.gz JZADZHQSICSYOE-QMMMGPOBSA-N 0 0 294.713 3.071 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CSc2ccccc21)c1ccccc1O ZINC001557967614 938212951 /nfs/dbraw/zinc/21/29/51/938212951.db2.gz HTLKKXJEAOVLNM-FZMZJTMJSA-N 0 0 299.395 3.459 20 10 CGCDRN CCCCC[C@H](C)CC(=O)NCc1cc(O)ccc1O ZINC001558174055 938213985 /nfs/dbraw/zinc/21/39/85/938213985.db2.gz CSFCGLKKKAALPE-LBPRGKRZSA-N 0 0 279.380 3.321 20 10 CGCDRN O=C(NCc1c(O)cccc1O)C1(C2CCCCC2)CC1 ZINC001558536145 938216126 /nfs/dbraw/zinc/21/61/26/938216126.db2.gz UMIWSMRNLNAOBM-UHFFFAOYSA-N 0 0 289.375 3.075 20 10 CGCDRN CCc1nccc(N(CC)Cc2ccc(N(C)C)cc2)n1 ZINC001559135006 938220899 /nfs/dbraw/zinc/22/08/99/938220899.db2.gz SLEIDJVHFYEYNK-UHFFFAOYSA-N 0 0 284.407 3.132 20 10 CGCDRN Cc1cccc(NCc2c(O)cccc2Br)n1 ZINC001560278741 938250782 /nfs/dbraw/zinc/25/07/82/938250782.db2.gz XRVSFCPKRCGAES-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CCc1cccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c1O ZINC001593642773 953664413 /nfs/dbraw/zinc/66/44/13/953664413.db2.gz WIXCKWGPIHOZGY-CQSZACIVSA-N 0 0 293.407 3.324 20 10 CGCDRN CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(C(C)C)ccc1O ZINC001594824649 960520935 /nfs/dbraw/zinc/52/09/35/960520935.db2.gz AHTZTFMAJVKQRZ-INIZCTEOSA-N 0 0 279.380 3.249 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)c1ccsc1C(F)F ZINC001566359366 960927336 /nfs/dbraw/zinc/92/73/36/960927336.db2.gz AZIWEEZULRPDKI-UHFFFAOYSA-N 0 0 299.298 3.027 20 10 CGCDRN Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(N)cc1 ZINC001579604445 962633707 /nfs/dbraw/zinc/63/37/07/962633707.db2.gz PGSYYOQJVWDCOV-UHFFFAOYSA-N 0 0 291.734 3.215 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2cccc(Cl)n2)c1 ZINC001584505934 962932901 /nfs/dbraw/zinc/93/29/01/962932901.db2.gz DEDMEGIZCIYZMA-VOTSOKGWSA-N 0 0 287.750 3.115 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1cc(C(C)C)ccc1O)C(=O)[O-] ZINC001589506774 963995358 /nfs/dbraw/zinc/99/53/58/963995358.db2.gz JAGKBJQVNZDPJN-UHFFFAOYSA-N 0 0 293.407 3.496 20 10 CGCDRN CCc1cccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1O ZINC001603975391 974466956 /nfs/dbraw/zinc/46/69/56/974466956.db2.gz XBDPQNMQHXYHKF-HNNXBMFYSA-N 0 0 291.391 3.174 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593224834 994343744 /nfs/dbraw/zinc/34/37/44/994343744.db2.gz RLZTZGMNKUVDJJ-DLOVCJGASA-N 0 0 281.327 3.022 20 10 CGCDRN CC(C)C(C)(C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001593240241 994426958 /nfs/dbraw/zinc/42/69/58/994426958.db2.gz LNTOIDYGLDDVDU-LLVKDONJSA-N 0 0 279.380 3.423 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC[C@@H](CC(=O)[O-])C1)c1cc(Cl)ccc1O ZINC001593355922 994999734 /nfs/dbraw/zinc/99/97/34/994999734.db2.gz BLISTCGGPBPQJA-UMNHJUIQSA-N 0 0 297.782 3.340 20 10 CGCDRN c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000076841192 345552491 /nfs/dbraw/zinc/55/24/91/345552491.db2.gz UUOOTNVFOWEGFX-UHFFFAOYSA-N 0 0 285.416 3.247 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(F)cc1[O-] ZINC000278447614 299317934 /nfs/dbraw/zinc/31/79/34/299317934.db2.gz LDZCGPPVSLPZDR-SWLSCSKDSA-N 0 0 292.398 3.199 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)OCO3)c1 ZINC000019966301 368792449 /nfs/dbraw/zinc/79/24/49/368792449.db2.gz MQVUGNPVXRXHCF-SNVBAGLBSA-N 0 0 287.315 3.303 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1cncs1 ZINC000493727701 244219039 /nfs/dbraw/zinc/21/90/39/244219039.db2.gz ZWBFIYYVLFGYAW-CMDGGOBGSA-N 0 0 288.372 3.218 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)c1cccs1 ZINC000136948533 371488419 /nfs/dbraw/zinc/48/84/19/371488419.db2.gz VLMZVHSOHJYNCK-UHFFFAOYSA-N 0 0 289.400 3.390 20 10 CGCDRN C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287816032 371709278 /nfs/dbraw/zinc/70/92/78/371709278.db2.gz UYASNJAMPPFZDA-HTDMEAKDSA-N 0 0 283.799 3.413 20 10 CGCDRN CC(C)(CCc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000155483549 371930868 /nfs/dbraw/zinc/93/08/68/371930868.db2.gz YIIVHXKLVFMGET-UHFFFAOYSA-N 0 0 296.414 3.339 20 10 CGCDRN COC1(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000293747536 372468262 /nfs/dbraw/zinc/46/82/62/372468262.db2.gz PYDCMRZGGCQAMO-LLVKDONJSA-N 0 0 267.344 3.141 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000294745504 372669702 /nfs/dbraw/zinc/66/97/02/372669702.db2.gz RBJIMLVPYSYPCG-UKRRQHHQSA-N 0 0 299.773 3.328 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)C[C@H]1C ZINC000295112318 372693835 /nfs/dbraw/zinc/69/38/35/372693835.db2.gz LHPFHFYQDKEGMI-UPJWGTAASA-N 0 0 261.365 3.081 20 10 CGCDRN CC(C)(C)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295118199 372694761 /nfs/dbraw/zinc/69/47/61/372694761.db2.gz ILIDGDKGXNRGAT-JTQLQIEISA-N 0 0 295.354 3.135 20 10 CGCDRN C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1nccs1 ZINC000296261352 373073030 /nfs/dbraw/zinc/07/30/30/373073030.db2.gz BRLRXECLDVWWFE-JQWIXIFHSA-N 0 0 274.389 3.229 20 10 CGCDRN CC[C@@H](C)NC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000177126673 373655128 /nfs/dbraw/zinc/65/51/28/373655128.db2.gz MYPYHOWPOQRLDD-SECBINFHSA-N 0 0 286.466 3.447 20 10 CGCDRN CCc1nsc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302340619 373853393 /nfs/dbraw/zinc/85/33/93/373853393.db2.gz BQQTVEOCVZXUCX-JTQLQIEISA-N 0 0 276.409 3.340 20 10 CGCDRN CC1(C(=O)NCCc2ccc(O)c(O)c2)CCCCCC1 ZINC000182261567 374248377 /nfs/dbraw/zinc/24/83/77/374248377.db2.gz FZCRJIWIUUNXEK-UHFFFAOYSA-N 0 0 291.391 3.117 20 10 CGCDRN COCCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187680568 375070945 /nfs/dbraw/zinc/07/09/45/375070945.db2.gz JGJSADQNPHSZNE-SNVBAGLBSA-N 0 0 273.323 3.138 20 10 CGCDRN CN(C(=O)C=Cc1c[nH]cn1)c1ccc2ccccc2c1 ZINC000492811831 375453402 /nfs/dbraw/zinc/45/34/02/375453402.db2.gz LNOMGBRAFZNKAB-VQHVLOKHSA-N 0 0 277.327 3.239 20 10 CGCDRN COCCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192592654 375768208 /nfs/dbraw/zinc/76/82/08/375768208.db2.gz XKYKOPTXZNAKRL-QMMMGPOBSA-N 0 0 278.179 3.386 20 10 CGCDRN C[C@@H](CN(C)C(=O)c1cccc(O)c1O)C1CCCCC1 ZINC000530040009 375937877 /nfs/dbraw/zinc/93/78/77/375937877.db2.gz SHSKVGYBXSEPKV-LBPRGKRZSA-N 0 0 291.391 3.386 20 10 CGCDRN COc1cccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c1O ZINC000263655749 377949847 /nfs/dbraw/zinc/94/98/47/377949847.db2.gz FWDXRHRITDUCQA-FZMZJTMJSA-N 0 0 287.359 3.407 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C1CC1 ZINC000267039438 378030471 /nfs/dbraw/zinc/03/04/71/378030471.db2.gz GVUADFOPRQFGAR-CYBMUJFWSA-N 0 0 274.408 3.147 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C2CC2)cc1 ZINC000267392007 378037698 /nfs/dbraw/zinc/03/76/98/378037698.db2.gz XESQCRTZUCBFDG-PIIMJCKOSA-N 0 0 298.430 3.290 20 10 CGCDRN CCOc1ccc(N(CC)CCC2OCCCO2)cc1 ZINC000267975412 378047373 /nfs/dbraw/zinc/04/73/73/378047373.db2.gz WRILGGMMVVTWAG-UHFFFAOYSA-N 0 0 279.380 3.065 20 10 CGCDRN CC1(C)CCC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000270262531 378328389 /nfs/dbraw/zinc/32/83/89/378328389.db2.gz UIRJLKJIZKOHME-GFCCVEGCSA-N 0 0 261.365 3.225 20 10 CGCDRN CCC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCOCC1 ZINC000271871498 378509814 /nfs/dbraw/zinc/50/98/14/378509814.db2.gz XYDIPPUPGKNMJQ-UHFFFAOYSA-N 0 0 283.799 3.342 20 10 CGCDRN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(F)cc1[O-] ZINC000273362129 378742202 /nfs/dbraw/zinc/74/22/02/378742202.db2.gz ASOPMUTWCXTVDP-GFCCVEGCSA-N 0 0 281.371 3.125 20 10 CGCDRN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)[nH]n1 ZINC000273354494 378742347 /nfs/dbraw/zinc/74/23/47/378742347.db2.gz CJILGRNWOCHUDT-SMDDNHRTSA-N 0 0 287.407 3.322 20 10 CGCDRN Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281265804 379826355 /nfs/dbraw/zinc/82/63/55/379826355.db2.gz NMLWFBQBRYONOF-MRXNPFEDSA-N 0 0 285.391 3.161 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1ncc(F)cn1 ZINC000282199102 379872754 /nfs/dbraw/zinc/87/27/54/379872754.db2.gz HXNVAJYHYPVBTC-UHFFFAOYSA-N 0 0 275.327 3.128 20 10 CGCDRN COCCc1ccccc1NCc1cc(F)ccc1O ZINC000191679646 533324673 /nfs/dbraw/zinc/32/46/73/533324673.db2.gz KMPUFSBQGNBWCO-UHFFFAOYSA-N 0 0 275.323 3.332 20 10 CGCDRN CC(C)([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000742373967 572570580 /nfs/dbraw/zinc/57/05/80/572570580.db2.gz MJMQFFOOKMJVIP-UHFFFAOYSA-N 0 0 284.743 3.232 20 10 CGCDRN CCc1cc(NCc2c(C)c3ccccc3n2C)nc(C)n1 ZINC000359842473 542581882 /nfs/dbraw/zinc/58/18/82/542581882.db2.gz LHAGWWBFKHUZIJ-UHFFFAOYSA-N 0 0 294.402 3.182 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000135214946 392474254 /nfs/dbraw/zinc/47/42/54/392474254.db2.gz YQOSVKRNOASFDS-IUCAKERBSA-N 0 0 290.190 3.214 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cncc(Cl)n1 ZINC000301307756 392586994 /nfs/dbraw/zinc/58/69/94/392586994.db2.gz VXMSQHWKGWEKJE-UHFFFAOYSA-N 0 0 276.771 3.117 20 10 CGCDRN Cc1nc2c(c(Sc3nccs3)n1)CCCC2 ZINC000301540149 392595489 /nfs/dbraw/zinc/59/54/89/392595489.db2.gz BYBNPWLZHKCEMT-UHFFFAOYSA-N 0 0 263.391 3.272 20 10 CGCDRN CN(C)c1ccc(CNc2nc(C3CC3)ns2)cc1F ZINC000301542410 392595535 /nfs/dbraw/zinc/59/55/35/392595535.db2.gz VTLKDXLQBUNDOU-UHFFFAOYSA-N 0 0 292.383 3.233 20 10 CGCDRN CC1(C(=O)NCCCSc2nccs2)CCCC1 ZINC000733881000 572609605 /nfs/dbraw/zinc/60/96/05/572609605.db2.gz VHXZGPAJPSFZHI-UHFFFAOYSA-N 0 0 284.450 3.322 20 10 CGCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000230694417 393025248 /nfs/dbraw/zinc/02/52/48/393025248.db2.gz RZRFHYKXWSPCNZ-SECBINFHSA-N 0 0 282.796 3.395 20 10 CGCDRN Cc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000733973896 572620332 /nfs/dbraw/zinc/62/03/32/572620332.db2.gz YITORWZTVNACSE-UHFFFAOYSA-N 0 0 292.429 3.364 20 10 CGCDRN CC[C@@H]([NH2+]CCC(C)(C)CO)c1cccc(Cl)c1[O-] ZINC000296568604 286905527 /nfs/dbraw/zinc/90/55/27/286905527.db2.gz SUBIHBPVKVTDOQ-CYBMUJFWSA-N 0 0 285.815 3.495 20 10 CGCDRN CC(C)CN(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000031730292 171645240 /nfs/dbraw/zinc/64/52/40/171645240.db2.gz XLYOTGGPAHYJOE-UHFFFAOYSA-N 0 0 289.423 3.083 20 10 CGCDRN C=C/C(C)=C\CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000682832092 543871967 /nfs/dbraw/zinc/87/19/67/543871967.db2.gz WIXRKHBSDPULGC-MLPAPPSSSA-N 0 0 286.375 3.000 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCC(F)(F)F ZINC000348636929 226504083 /nfs/dbraw/zinc/50/40/83/226504083.db2.gz SMGQMYPPUPTFRP-UHFFFAOYSA-N 0 0 298.308 3.445 20 10 CGCDRN CC[C@@H](C)[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000180828830 260136935 /nfs/dbraw/zinc/13/69/35/260136935.db2.gz QSBAAQWLDFNLCS-OLZOCXBDSA-N 0 0 290.407 3.160 20 10 CGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCCCC1 ZINC000152710569 261068283 /nfs/dbraw/zinc/06/82/83/261068283.db2.gz SXTOAYZMZIKNKO-UHFFFAOYSA-N 0 0 299.418 3.195 20 10 CGCDRN CN(Cc1cc[nH]n1)Cc1ccc(N2CCCCC2)cc1 ZINC000155243800 261100070 /nfs/dbraw/zinc/10/00/70/261100070.db2.gz IXXFZZDDAOWYQR-UHFFFAOYSA-N 0 0 284.407 3.032 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)F)cc1F ZINC000156432484 261122696 /nfs/dbraw/zinc/12/26/96/261122696.db2.gz QTWYVBKSLGBYRH-UHFFFAOYSA-N 0 0 284.350 3.036 20 10 CGCDRN CC(C)[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173196919 261158511 /nfs/dbraw/zinc/15/85/11/261158511.db2.gz AHPBWULCTPLBHF-ZDUSSCGKSA-N 0 0 290.407 3.160 20 10 CGCDRN O=C(CCC1CCCCC1)NCc1ccc(O)c(O)c1 ZINC000158863478 261173063 /nfs/dbraw/zinc/17/30/63/261173063.db2.gz NYQKTICDPGUDCQ-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN c1csc(SCCCNc2ccccn2)n1 ZINC000301749167 261339633 /nfs/dbraw/zinc/33/96/33/261339633.db2.gz ABEMDXLGSIBLLR-UHFFFAOYSA-N 0 0 251.380 3.132 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000184944346 262035058 /nfs/dbraw/zinc/03/50/58/262035058.db2.gz ZCTOPGDMRIIFDZ-PXAZEXFGSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@H]([NH2+]CCCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000185659560 262064947 /nfs/dbraw/zinc/06/49/47/262064947.db2.gz MURZKTPZBLCFFW-LBPRGKRZSA-N 0 0 289.354 3.079 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccccc1O ZINC000186421302 262092776 /nfs/dbraw/zinc/09/27/76/262092776.db2.gz WJRJAHGNOQZTEQ-KGLIPLIRSA-N 0 0 275.348 3.150 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1cccs1 ZINC000186827562 262111594 /nfs/dbraw/zinc/11/15/94/262111594.db2.gz PBIVWCWRINPIBM-NSHDSACASA-N 0 0 289.356 3.137 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)c(O)c1 ZINC000186143726 262312454 /nfs/dbraw/zinc/31/24/54/262312454.db2.gz HQUFMQCOHNJACF-QWHCGFSZSA-N 0 0 265.397 3.148 20 10 CGCDRN CC(C)Cn1cc(N[C@H](C)c2ccccc2O)cn1 ZINC000272838716 263009300 /nfs/dbraw/zinc/00/93/00/263009300.db2.gz JDKVPEMNNXXBOR-GFCCVEGCSA-N 0 0 259.353 3.418 20 10 CGCDRN CC(C)OCc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000299562613 263247541 /nfs/dbraw/zinc/24/75/41/263247541.db2.gz NQWNHZODUCZRTF-UHFFFAOYSA-N 0 0 299.370 3.247 20 10 CGCDRN CC(C)(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000294243329 265015090 /nfs/dbraw/zinc/01/50/90/265015090.db2.gz SHRHNIGQGWXTPY-XBXARRHUSA-N 0 0 289.375 3.054 20 10 CGCDRN C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC000237549296 278358545 /nfs/dbraw/zinc/35/85/45/278358545.db2.gz LJNVXRRXZDWRMT-ZDUSSCGKSA-N 0 0 280.371 3.352 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](O)C(C)C)c1cccc(Cl)c1[O-] ZINC000287535824 288047962 /nfs/dbraw/zinc/04/79/62/288047962.db2.gz DVODAKBTQVRQTL-STQMWFEESA-N 0 0 271.788 3.103 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287807591 288059375 /nfs/dbraw/zinc/05/93/75/288059375.db2.gz UNNBYENNFATZTM-CPCISQLKSA-N 0 0 278.179 3.121 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)C(C)C)c1cccc(Cl)c1[O-] ZINC000287626835 288085279 /nfs/dbraw/zinc/08/52/79/288085279.db2.gz KCELZBJBGNRVRU-QWHCGFSZSA-N 0 0 271.788 3.103 20 10 CGCDRN Cc1ccc([C@@H]2COCCN2Cc2cccc(F)c2O)o1 ZINC000272280940 328199334 /nfs/dbraw/zinc/19/93/34/328199334.db2.gz MSSOKSQGRQWLCR-AWEZNQCLSA-N 0 0 291.322 3.006 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2cc(F)ccc2F)s1 ZINC000112242081 328392776 /nfs/dbraw/zinc/39/27/76/328392776.db2.gz CBHONOAUSSACLA-GQCTYLIASA-N 0 0 294.326 3.406 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccccc2)s1 ZINC000112230136 328393737 /nfs/dbraw/zinc/39/37/37/328393737.db2.gz CLGWKEBYUNOYCT-CMDGGOBGSA-N 0 0 258.346 3.128 20 10 CGCDRN Cc1cc(C(=O)N2CCC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000081350474 327144513 /nfs/dbraw/zinc/14/45/13/327144513.db2.gz JPYCZPCVAIDOOQ-UHFFFAOYSA-N 0 0 297.402 3.361 20 10 CGCDRN C[C@@H]1c2cccn2CCN1Cc1cccc(Cl)c1[O-] ZINC000183512625 329248239 /nfs/dbraw/zinc/24/82/39/329248239.db2.gz DJFPOXGGTYNKEU-LLVKDONJSA-N 0 0 276.767 3.424 20 10 CGCDRN CC[C@@H]([NH2+]CC1COC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000528029177 330305182 /nfs/dbraw/zinc/30/51/82/330305182.db2.gz XYZUFSVDTFJXGT-LLVKDONJSA-N 0 0 290.190 3.386 20 10 CGCDRN CCC[C@@H]1C[C@@H]1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471999728 331525509 /nfs/dbraw/zinc/52/55/09/331525509.db2.gz BOLCMWIOQSVOKB-HIFRSBDPSA-N 0 0 299.418 3.475 20 10 CGCDRN CCCN(CC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472290718 331534992 /nfs/dbraw/zinc/53/49/92/331534992.db2.gz DCNGDHWIDRMRJS-UHFFFAOYSA-N 0 0 287.407 3.428 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc(OC)cc1 ZINC000490888521 332125012 /nfs/dbraw/zinc/12/50/12/332125012.db2.gz TVCHKGLXYNYLJT-IZZDOVSWSA-N 0 0 282.343 3.157 20 10 CGCDRN CN(C(=O)/C=C\c1ccn(C)c1)c1ccc2cc[nH]c2c1 ZINC000491979705 332377974 /nfs/dbraw/zinc/37/79/74/332377974.db2.gz FDUWVSYDWGTQGQ-UTCJRWHESA-N 0 0 279.343 3.183 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](CC)c1ccccc1O ZINC000229569050 333306158 /nfs/dbraw/zinc/30/61/58/333306158.db2.gz DGJIANGDNNYLIH-LBPRGKRZSA-N 0 0 259.353 3.251 20 10 CGCDRN CCOc1ccc(CN2CC(OC(C)(C)CC)C2)c(O)c1 ZINC000529639414 333502877 /nfs/dbraw/zinc/50/28/77/333502877.db2.gz CTSZUWXOXXVRMD-UHFFFAOYSA-N 0 0 293.407 3.180 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc[nH]1 ZINC000299266315 519655480 /nfs/dbraw/zinc/65/54/80/519655480.db2.gz WFRNBUXHTUPGDS-UHFFFAOYSA-N 0 0 285.391 3.132 20 10 CGCDRN CC(C)COCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745207 519754120 /nfs/dbraw/zinc/75/41/20/519754120.db2.gz PBPWQDIMOGTRBY-GFCCVEGCSA-N 0 0 269.360 3.245 20 10 CGCDRN CC(C)c1cccc(N(C)C(=O)C=Cc2c[nH]cn2)c1 ZINC000276578972 519841343 /nfs/dbraw/zinc/84/13/43/519841343.db2.gz LIJLRCXKZVAHKZ-BQYQJAHWSA-N 0 0 269.348 3.209 20 10 CGCDRN CCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295337 519874283 /nfs/dbraw/zinc/87/42/83/519874283.db2.gz JTZDQVJUVCDEJD-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN CCCn1ncnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000279135951 519893249 /nfs/dbraw/zinc/89/32/49/519893249.db2.gz XERHAKDWJQZBRP-UHFFFAOYSA-N 0 0 288.395 3.112 20 10 CGCDRN CCOC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000276607553 520149087 /nfs/dbraw/zinc/14/90/87/520149087.db2.gz KYGZHHCGCNDBFI-GWCFXTLKSA-N 0 0 287.350 3.382 20 10 CGCDRN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000280103989 520859852 /nfs/dbraw/zinc/85/98/52/520859852.db2.gz NHVGBCIBCKWCNG-MNOVXSKESA-N 0 0 286.366 3.051 20 10 CGCDRN CCC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000237030340 521102944 /nfs/dbraw/zinc/10/29/44/521102944.db2.gz UICBBUSTDVYSHE-GOSISDBHSA-N 0 0 296.414 3.339 20 10 CGCDRN CCOC1CC(CN(CC)c2ccc(OC)c(OC)c2)C1 ZINC000286440010 521647282 /nfs/dbraw/zinc/64/72/82/521647282.db2.gz NMRZCLQJVHWJPQ-UHFFFAOYSA-N 0 0 293.407 3.345 20 10 CGCDRN Clc1cncnc1NCc1ccc(N2CC=CC2)cc1 ZINC000302607064 534659639 /nfs/dbraw/zinc/65/96/39/534659639.db2.gz DHBPGCRVLWMNBT-UHFFFAOYSA-N 0 0 286.766 3.118 20 10 CGCDRN COCCOc1ccc(NCc2cccc(C)c2O)cc1 ZINC000158046810 524050305 /nfs/dbraw/zinc/05/03/05/524050305.db2.gz PSVFQGQSJHQKGX-UHFFFAOYSA-N 0 0 287.359 3.338 20 10 CGCDRN COc1ccc(N(C)Cc2scnc2C)c(OC)c1 ZINC000289324767 524355703 /nfs/dbraw/zinc/35/57/03/524355703.db2.gz GUTWUKDGKDVDCW-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccc(F)n1 ZINC000301305842 525019893 /nfs/dbraw/zinc/01/98/93/525019893.db2.gz UMJCBOYCYPPYPZ-UHFFFAOYSA-N 0 0 259.328 3.207 20 10 CGCDRN C[C@H]1c2ccsc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000038100888 525130608 /nfs/dbraw/zinc/13/06/08/525130608.db2.gz FVYHNCZNDYJREO-NSHDSACASA-N 0 0 286.400 3.019 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3c(c2)OCCO3)c1 ZINC000071406075 525355420 /nfs/dbraw/zinc/35/54/20/525355420.db2.gz XTJOYGARDJWWLT-UHFFFAOYSA-N 0 0 271.316 3.084 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(OCCCO)cc2)c1 ZINC000285488584 525355584 /nfs/dbraw/zinc/35/55/84/525355584.db2.gz MBWCVUCZWGHHMJ-UHFFFAOYSA-N 0 0 287.359 3.074 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278336700 525484217 /nfs/dbraw/zinc/48/42/17/525484217.db2.gz XADDQEQNGAXICI-BDAKNGLRSA-N 0 0 290.190 3.386 20 10 CGCDRN C[C@@H](Nc1ccc(CCO)cc1)c1ccc(N(C)C)cc1 ZINC000040738757 525703263 /nfs/dbraw/zinc/70/32/63/525703263.db2.gz QEFKEMIIYCZODN-CQSZACIVSA-N 0 0 284.403 3.461 20 10 CGCDRN Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000037808028 525880510 /nfs/dbraw/zinc/88/05/10/525880510.db2.gz CSGZERCEIOTAMT-AWEZNQCLSA-N 0 0 282.387 3.339 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)NCCc1cccs1 ZINC000284210611 526006192 /nfs/dbraw/zinc/00/61/92/526006192.db2.gz LVBAKSUTUIHPSZ-VIFPVBQESA-N 0 0 298.458 3.044 20 10 CGCDRN Fc1cncc(COc2ccc(N3CCCC3)cc2)c1 ZINC000280898259 526422536 /nfs/dbraw/zinc/42/25/36/526422536.db2.gz FNSGQSBEFYTSRQ-UHFFFAOYSA-N 0 0 272.323 3.400 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(F)cc1O ZINC000062745062 527650662 /nfs/dbraw/zinc/65/06/62/527650662.db2.gz YBICPAJBLQAFCZ-QMMMGPOBSA-N 0 0 263.316 3.055 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccn2C)cc1 ZINC000728223015 571795733 /nfs/dbraw/zinc/79/57/33/571795733.db2.gz RKAJZDHTCKIIAQ-UHFFFAOYSA-N 0 0 299.418 3.144 20 10 CGCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000728748162 571816838 /nfs/dbraw/zinc/81/68/38/571816838.db2.gz QPRXKGYNPAOLHL-LSDHHAIUSA-N 0 0 290.407 3.406 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2F)c1 ZINC000728983764 571852267 /nfs/dbraw/zinc/85/22/67/571852267.db2.gz FHZMZMAGESAYGV-JTQLQIEISA-N 0 0 289.306 3.031 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccn1 ZINC000750854263 572330031 /nfs/dbraw/zinc/33/00/31/572330031.db2.gz PMCFDVHSQCUETF-UHFFFAOYSA-N 0 0 285.347 3.231 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCF)cc1 ZINC000739325452 572361365 /nfs/dbraw/zinc/36/13/65/572361365.db2.gz RTIBGPOQRLOSMP-UHFFFAOYSA-N 0 0 261.296 3.220 20 10 CGCDRN CN(Cc1ccon1)Cc1c(O)ccc2ccccc21 ZINC000739879258 572426131 /nfs/dbraw/zinc/42/61/31/572426131.db2.gz JCGNGIGEQVAZIV-UHFFFAOYSA-N 0 0 268.316 3.165 20 10 CGCDRN CCOc1ccc(N(C)Cc2ncc(Cl)n2C)cc1 ZINC000739923641 572426933 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/nfs/dbraw/zinc/49/00/18/572490018.db2.gz AXCDXIRGOHRAJL-UHFFFAOYSA-N 0 0 289.297 3.374 20 10 CGCDRN CCN(CCCOC(C)C)c1ccc(OC)cc1 ZINC000741782493 572527968 /nfs/dbraw/zinc/52/79/68/572527968.db2.gz WAERKQNOOHFRAV-UHFFFAOYSA-N 0 0 251.370 3.337 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)C2)cc1 ZINC000726102729 572560854 /nfs/dbraw/zinc/56/08/54/572560854.db2.gz KAVDXACFTWFETQ-CQSZACIVSA-N 0 0 289.423 3.084 20 10 CGCDRN COC[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000733705767 572597168 /nfs/dbraw/zinc/59/71/68/572597168.db2.gz CJZSNMNOXYLJJN-LBPRGKRZSA-N 0 0 293.388 3.347 20 10 CGCDRN COc1ccc(-n2c(C)cc(-c3nc(C)no3)c2C)cc1 ZINC000733740292 572600467 /nfs/dbraw/zinc/60/04/67/572600467.db2.gz ZDAYUOFQPNMYBX-UHFFFAOYSA-N 0 0 283.331 3.461 20 10 CGCDRN O=C(C=C1CCCC1)NCCCSc1nccs1 ZINC000733974631 572620311 /nfs/dbraw/zinc/62/03/11/572620311.db2.gz ZYJAAGHJJWWGHR-UHFFFAOYSA-N 0 0 282.434 3.242 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccccc1 ZINC000734402015 572652573 /nfs/dbraw/zinc/65/25/73/572652573.db2.gz BYHWEZYEDQGMJF-FMIVXFBMSA-N 0 0 294.398 3.391 20 10 CGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@@H](C)c1cccnc1 ZINC000734554658 572665267 /nfs/dbraw/zinc/66/52/67/572665267.db2.gz GAKWVURIUZEMEB-JTQLQIEISA-N 0 0 276.361 3.072 20 10 CGCDRN CC[C@H]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000735326937 572715157 /nfs/dbraw/zinc/71/51/57/572715157.db2.gz RNACRVDJWDWCLL-JTQLQIEISA-N 0 0 253.367 3.106 20 10 CGCDRN CCN(CC(F)(F)C(F)F)c1ccc(OC)cc1 ZINC000736619121 572801155 /nfs/dbraw/zinc/80/11/55/572801155.db2.gz ASTATTOKZHHUQR-UHFFFAOYSA-N 0 0 265.250 3.422 20 10 CGCDRN CC[N@H+](CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1O ZINC000737076354 572857807 /nfs/dbraw/zinc/85/78/07/572857807.db2.gz YIUNZFUYOZZRIL-UHFFFAOYSA-N 0 0 299.326 3.198 20 10 CGCDRN CCCCSCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000747823745 572950796 /nfs/dbraw/zinc/95/07/96/572950796.db2.gz ALVMBVMYHNUREW-UHFFFAOYSA-N 0 0 294.464 3.244 20 10 CGCDRN CC(C)Oc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000748354321 572975182 /nfs/dbraw/zinc/97/51/82/572975182.db2.gz JWULYLYFKFAZLQ-UHFFFAOYSA-N 0 0 285.343 3.109 20 10 CGCDRN O=C(NCc1cc2ccccc2o1)NCc1ccccc1O ZINC000748461384 572978163 /nfs/dbraw/zinc/97/81/63/572978163.db2.gz WXJFCAXVZSFOJT-UHFFFAOYSA-N 0 0 296.326 3.138 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCC1CCC1 ZINC000749392700 572996577 /nfs/dbraw/zinc/99/65/77/572996577.db2.gz YXMAUQKFSANVGS-UHFFFAOYSA-N 0 0 274.408 3.258 20 10 CGCDRN CCO[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C1(CC)CC ZINC000749545725 573018028 /nfs/dbraw/zinc/01/80/28/573018028.db2.gz WBMJXXPFMFSNBM-CHWSQXEVSA-N 0 0 297.420 3.167 20 10 CGCDRN CC(C)CCO[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890757403 617814621 /nfs/dbraw/zinc/81/46/21/617814621.db2.gz CKZQADCZVHKRPY-NSHDSACASA-N 0 0 299.798 3.113 20 10 CGCDRN CCC(C)(C)C(=O)NCc1cccc(Cl)c1O ZINC000890757513 617814694 /nfs/dbraw/zinc/81/46/94/617814694.db2.gz GRMKCLMHPKSGHX-UHFFFAOYSA-N 0 0 255.745 3.098 20 10 CGCDRN Cc1ccc(NC(=O)C2=CC(=O)CS2)c(F)c1 ZINC000806542539 617623147 /nfs/dbraw/zinc/62/31/47/617623147.db2.gz VAFZTTDSWLEQIH-UHFFFAOYSA-N 0 0 251.282 3.154 20 10 CGCDRN CN(Cc1cscn1)Cc1c(O)cccc1Cl ZINC000120239263 617653695 /nfs/dbraw/zinc/65/36/95/617653695.db2.gz MOZBZLHDMQYDDN-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN Cc1cc(CCNC(=O)CCF)c(C)n1-c1ccccc1 ZINC000900031632 620748628 /nfs/dbraw/zinc/74/86/28/620748628.db2.gz JIYJNWUPHKKOJH-UHFFFAOYSA-N 0 0 288.366 3.112 20 10 CGCDRN CC(C)(C)OCCCC(=O)NCc1cccc(Cl)c1O ZINC000890760052 617815589 /nfs/dbraw/zinc/81/55/89/617815589.db2.gz ZLTWXIHGPHSOEQ-UHFFFAOYSA-N 0 0 299.798 3.257 20 10 CGCDRN CC[C@@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759108 617815780 /nfs/dbraw/zinc/81/57/80/617815780.db2.gz CGCQTYGEYBGEAO-SECBINFHSA-N 0 0 255.745 3.098 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1Cl ZINC000049802816 617938444 /nfs/dbraw/zinc/93/84/44/617938444.db2.gz ZBVTYCHAECZWPS-SOFGYWHQSA-N 0 0 289.718 3.403 20 10 CGCDRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)c(O)c1O ZINC000177675473 618000209 /nfs/dbraw/zinc/00/02/09/618000209.db2.gz YSCCPAGWZLJJNO-UHFFFAOYSA-N 0 0 293.706 3.018 20 10 CGCDRN COC[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000045656536 618027087 /nfs/dbraw/zinc/02/70/87/618027087.db2.gz DHDOXRAETSELGR-MRVPVSSYSA-N 0 0 278.179 3.071 20 10 CGCDRN Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(N)cc1 ZINC000160420549 618040776 /nfs/dbraw/zinc/04/07/76/618040776.db2.gz VBFZNEKUNXHHTH-UHFFFAOYSA-N 0 0 289.404 3.485 20 10 CGCDRN O=C(CSc1nccs1)NCCC1CCCCC1 ZINC000077626239 618217011 /nfs/dbraw/zinc/21/70/11/618217011.db2.gz UDUCHOCJVRHFLK-UHFFFAOYSA-N 0 0 284.450 3.322 20 10 CGCDRN CCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC000176138404 618361844 /nfs/dbraw/zinc/36/18/44/618361844.db2.gz RWPBEWAFTXNWLO-NSHDSACASA-N 0 0 277.364 3.158 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176128137 618405899 /nfs/dbraw/zinc/40/58/99/618405899.db2.gz RQTOEZQCAZAOPJ-CABCVRRESA-N 0 0 273.376 3.177 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C3CC3)o2)cc1Cl ZINC000121967792 618672134 /nfs/dbraw/zinc/67/21/34/618672134.db2.gz RORNFFPIRNMDQG-UHFFFAOYSA-N 0 0 293.754 3.245 20 10 CGCDRN C[N@H+](Cc1ccco1)Cc1cccc(Br)c1[O-] ZINC000162163840 618741279 /nfs/dbraw/zinc/74/12/79/618741279.db2.gz FCHXYRQNBRIYQD-UHFFFAOYSA-N 0 0 296.164 3.380 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000840875932 618748869 /nfs/dbraw/zinc/74/88/69/618748869.db2.gz LAHBUEIQGBIFOH-LERXQTSPSA-N 0 0 295.354 3.110 20 10 CGCDRN Clc1cnc(SCCOC[C@@H]2CCCO2)s1 ZINC000850000336 618753806 /nfs/dbraw/zinc/75/38/06/618753806.db2.gz QOUVWHRTCFSMKS-QMMMGPOBSA-N 0 0 279.814 3.084 20 10 CGCDRN Cc1cccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000279957370 618761104 /nfs/dbraw/zinc/76/11/04/618761104.db2.gz CDGICRTWZNEKOQ-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN C[C@@H](O)c1cccc(NCCCSc2nccs2)n1 ZINC000892515397 618837792 /nfs/dbraw/zinc/83/77/92/618837792.db2.gz PRZCECSTNRZXKJ-SNVBAGLBSA-N 0 0 295.433 3.186 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C=CCC2)c1 ZINC000850359010 618862895 /nfs/dbraw/zinc/86/28/95/618862895.db2.gz RVVUGXOPPGRJEG-NSHDSACASA-N 0 0 282.181 3.271 20 10 CGCDRN CC(C)[C@H](Sc1nccs1)C(=O)NC(C)(C)C ZINC000048876065 618875110 /nfs/dbraw/zinc/87/51/10/618875110.db2.gz VBXVWOGHAVSDMI-VIFPVBQESA-N 0 0 272.439 3.175 20 10 CGCDRN CC[C@@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000189553483 625301500 /nfs/dbraw/zinc/30/15/00/625301500.db2.gz DJJPNSKYCFGETM-GHMZBOCLSA-N 0 0 265.353 3.014 20 10 CGCDRN CC(C)Oc1ccc(N(C)CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000191582337 619111210 /nfs/dbraw/zinc/11/12/10/619111210.db2.gz LXSZUNBEKHNZSS-AWEZNQCLSA-N 0 0 292.423 3.071 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC000776229829 619117813 /nfs/dbraw/zinc/11/78/13/619117813.db2.gz DJRFKYWSWHDKRE-VXGBXAGGSA-N 0 0 287.762 3.088 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2cc[nH]c2c1 ZINC000053916261 619228243 /nfs/dbraw/zinc/22/82/43/619228243.db2.gz OUHFDYYBWMSAKU-UHFFFAOYSA-N 0 0 280.327 3.146 20 10 CGCDRN Oc1ccccc1CNc1ccncc1Br ZINC000162976781 619244008 /nfs/dbraw/zinc/24/40/08/619244008.db2.gz ODESERQVDLEWBY-UHFFFAOYSA-N 0 0 279.137 3.162 20 10 CGCDRN CCC1(CC)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000094804633 619288026 /nfs/dbraw/zinc/28/80/26/619288026.db2.gz JDQUGAXARSPRFL-UHFFFAOYSA-N 0 0 261.369 3.313 20 10 CGCDRN Cc1csc(C(=O)NCc2ccccc2O)c1Cl ZINC000235962599 619302670 /nfs/dbraw/zinc/30/26/70/619302670.db2.gz OQAOPFMRPKHVHW-UHFFFAOYSA-N 0 0 281.764 3.346 20 10 CGCDRN Cc1n[nH]c(CN(C)c2ccc(OC(C)C)cc2)c1C ZINC000894565990 619578023 /nfs/dbraw/zinc/57/80/23/619578023.db2.gz HZSGTJKKXKUPCU-UHFFFAOYSA-N 0 0 273.380 3.450 20 10 CGCDRN C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894600703 619583986 /nfs/dbraw/zinc/58/39/86/619583986.db2.gz KTRUIVLYUFTVMT-OIBJUYFYSA-N 0 0 295.251 3.443 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894617671 619590304 /nfs/dbraw/zinc/59/03/04/619590304.db2.gz CEFKLEDGCKITTQ-OAHLLOKOSA-N 0 0 285.334 3.061 20 10 CGCDRN CO[C@@]1(C)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894617670 619590538 /nfs/dbraw/zinc/59/05/38/619590538.db2.gz CEFKLEDGCKITTQ-HNNXBMFYSA-N 0 0 285.334 3.061 20 10 CGCDRN C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000049015242 619675086 /nfs/dbraw/zinc/67/50/86/619675086.db2.gz UMDRIQXOCUWNFS-RISCZKNCSA-N 0 0 261.369 3.311 20 10 CGCDRN CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185494510 625363364 /nfs/dbraw/zinc/36/33/64/625363364.db2.gz TYSLEJPGSADLLY-YPMHNXCESA-N 0 0 269.360 3.387 20 10 CGCDRN COc1cc(C)cc(CN[C@H](C)c2cscn2)c1O ZINC000895253439 619791928 /nfs/dbraw/zinc/79/19/28/619791928.db2.gz FSFDCGARFHTIGQ-SNVBAGLBSA-N 0 0 278.377 3.017 20 10 CGCDRN CC[C@@H](NC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000895806990 619889477 /nfs/dbraw/zinc/88/94/77/619889477.db2.gz HTKBHMWWPJEJCR-GFCCVEGCSA-N 0 0 282.771 3.033 20 10 CGCDRN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000895870694 619898915 /nfs/dbraw/zinc/89/89/15/619898915.db2.gz SJOBLDDOJDFJLJ-QMMMGPOBSA-N 0 0 291.372 3.088 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896644035 620040006 /nfs/dbraw/zinc/04/00/06/620040006.db2.gz VYXWKINQSSTYKN-NHYWBVRUSA-N 0 0 281.371 3.215 20 10 CGCDRN C[C@@H]([NH2+]Cc1c([O-])cccc1F)C1CC(F)(F)C1 ZINC000896644853 620040681 /nfs/dbraw/zinc/04/06/81/620040681.db2.gz ZNFCYMHYLBPRCX-MRVPVSSYSA-N 0 0 259.271 3.055 20 10 CGCDRN C[C@@H]1Cc2cc(C[NH2+]Cc3c([O-])cccc3F)ccc2O1 ZINC000896641823 620042184 /nfs/dbraw/zinc/04/21/84/620042184.db2.gz WBFWYEMHRSEEGH-LLVKDONJSA-N 0 0 287.334 3.145 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000896951743 620111618 /nfs/dbraw/zinc/11/16/18/620111618.db2.gz LLDYLAJDZCOJEX-SCZZXKLOSA-N 0 0 273.348 3.044 20 10 CGCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CCC1 ZINC000897219334 620164374 /nfs/dbraw/zinc/16/43/74/620164374.db2.gz WVIMHMKTEHBLBU-QMMMGPOBSA-N 0 0 291.372 3.231 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000897374990 620276174 /nfs/dbraw/zinc/27/61/74/620276174.db2.gz IOIGNVFZIPLCQW-NOZJJQNGSA-N 0 0 255.720 3.217 20 10 CGCDRN CC(C)(C)CCCCNC(=O)NCc1ccccc1O ZINC000729604945 620401202 /nfs/dbraw/zinc/40/12/02/620401202.db2.gz DQBATPSLAISIQD-UHFFFAOYSA-N 0 0 278.396 3.408 20 10 CGCDRN COc1cccc(CN[C@@H](C(C)C)C(F)(F)F)c1O ZINC000786836689 620412635 /nfs/dbraw/zinc/41/26/35/620412635.db2.gz OIAZBYSHCJZVOB-LBPRGKRZSA-N 0 0 277.286 3.077 20 10 CGCDRN Cc1cccc(O)c1CNc1cnn(C2CCC2)c1 ZINC000897878303 620442696 /nfs/dbraw/zinc/44/26/96/620442696.db2.gz XTXZEKUHSAFZPT-UHFFFAOYSA-N 0 0 257.337 3.234 20 10 CGCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1cncs1 ZINC000897930077 620450455 /nfs/dbraw/zinc/45/04/55/620450455.db2.gz IJNGVLNNZXSMBT-SECBINFHSA-N 0 0 297.374 3.338 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000898215991 620489013 /nfs/dbraw/zinc/48/90/13/620489013.db2.gz SRVJMUAFDCTFCG-CQDKDKBSSA-N 0 0 293.794 3.093 20 10 CGCDRN FC(F)(F)[C@@H](Sc1nccs1)[C@H]1CCOC1 ZINC000901477015 620891866 /nfs/dbraw/zinc/89/18/66/620891866.db2.gz MPZTWHPJBJKNNL-BQBZGAKWSA-N 0 0 269.313 3.203 20 10 CGCDRN C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cc(F)cc(F)c1[O-] ZINC000903285018 621652059 /nfs/dbraw/zinc/65/20/59/621652059.db2.gz ZZGWSKFYIRWMAD-DESYWLLHSA-N 0 0 297.345 3.279 20 10 CGCDRN CC[C@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(F)cc1[O-] ZINC000903313966 621684885 /nfs/dbraw/zinc/68/48/85/621684885.db2.gz DSGJZEOFLSGZHC-DZGCQCFKSA-N 0 0 299.411 3.094 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903316770 621687305 /nfs/dbraw/zinc/68/73/05/621687305.db2.gz HKUGTNOTMIRPFQ-RKDXNWHRSA-N 0 0 289.206 3.054 20 10 CGCDRN CSCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000910449233 622485361 /nfs/dbraw/zinc/48/53/61/622485361.db2.gz CAQVWLXYXZCNJO-UHFFFAOYSA-N 0 0 288.416 3.187 20 10 CGCDRN CC(C)(C)SCCCC(=O)NCc1ccc(O)cc1O ZINC000910949297 622509224 /nfs/dbraw/zinc/50/92/24/622509224.db2.gz HXIZMCOJEOSWAD-UHFFFAOYSA-N 0 0 297.420 3.026 20 10 CGCDRN O=C(CCCC1CCCCC1)NCc1ccc(O)cc1O ZINC000910958818 622509784 /nfs/dbraw/zinc/50/97/84/622509784.db2.gz WEHPICUFVKSTQZ-UHFFFAOYSA-N 0 0 291.391 3.465 20 10 CGCDRN CC(C)c1ccsc1C(=O)NCc1ccc(O)cc1O ZINC000910951409 622510164 /nfs/dbraw/zinc/51/01/64/622510164.db2.gz IMSPZIJCADUCJV-UHFFFAOYSA-N 0 0 291.372 3.213 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H](O)c2ccccc2F)cc1 ZINC000150732073 622658045 /nfs/dbraw/zinc/65/80/45/622658045.db2.gz PTDAVTLGDJCAKH-QGZVFWFLSA-N 0 0 289.350 3.394 20 10 CGCDRN CCCc1noc(CN(C)c2ccc(OCC)cc2)n1 ZINC000157314804 622898864 /nfs/dbraw/zinc/89/88/64/622898864.db2.gz UGYWGLVPPIJJRO-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN Cc1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058768582 622955449 /nfs/dbraw/zinc/95/54/49/622955449.db2.gz ZBOVSNLEXNYWST-UHFFFAOYSA-N 0 0 294.398 3.307 20 10 CGCDRN C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(F)ccc1O ZINC000226586040 622986893 /nfs/dbraw/zinc/98/68/93/622986893.db2.gz KOCWDVNNNCTZBD-JTQLQIEISA-N 0 0 265.353 3.314 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@H](C)[NH3+] ZINC000817977877 625631183 /nfs/dbraw/zinc/63/11/83/625631183.db2.gz QXHHCQXFSOESFY-RNJXMRFFSA-N 0 0 277.195 3.085 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2)cc1OC ZINC000063616874 623341490 /nfs/dbraw/zinc/34/14/90/623341490.db2.gz NCAGGTMTZPHQKO-UHFFFAOYSA-N 0 0 257.333 3.340 20 10 CGCDRN COc1ccc(O)c(CNC(=O)CC2(C)CCCCC2)c1 ZINC000151722609 623562124 /nfs/dbraw/zinc/56/21/24/623562124.db2.gz WQVSOZXXYANHKZ-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921551091 625669895 /nfs/dbraw/zinc/66/98/95/625669895.db2.gz YKQZQFIBLYFWAM-UHFFFAOYSA-N 0 0 298.342 3.210 20 10 CGCDRN O=C(NCCCSc1nccs1)NCCCC1CC1 ZINC000153743137 624039577 /nfs/dbraw/zinc/03/95/77/624039577.db2.gz OGWPASRDUTZYCR-UHFFFAOYSA-N 0 0 299.465 3.115 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)[nH]c2C)cc1 ZINC000916505311 624167385 /nfs/dbraw/zinc/16/73/85/624167385.db2.gz ULFUBNYAKSHCMT-UHFFFAOYSA-N 0 0 299.418 3.408 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1C ZINC000917806161 624313430 /nfs/dbraw/zinc/31/34/30/624313430.db2.gz MOJSJTZZDDDCAL-VQHVLOKHSA-N 0 0 266.344 3.375 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]1C ZINC000920463523 624500805 /nfs/dbraw/zinc/50/08/05/624500805.db2.gz KZMKEFQNKKNBIG-JTQLQIEISA-N 0 0 274.389 3.390 20 10 CGCDRN CCc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180590128 624760076 /nfs/dbraw/zinc/76/00/76/624760076.db2.gz XLAQFJQWDVYVOD-VQHVLOKHSA-N 0 0 283.327 3.312 20 10 CGCDRN CCN(CC)c1ccc(CNc2nncs2)cc1F ZINC000181451712 624860608 /nfs/dbraw/zinc/86/06/08/624860608.db2.gz CULBXZXPZRARSO-UHFFFAOYSA-N 0 0 280.372 3.136 20 10 CGCDRN CO[C@@H](C)CN1CCCc2cc(OC(F)F)ccc21 ZINC000182283887 624979483 /nfs/dbraw/zinc/97/94/83/624979483.db2.gz UUHLXGHRVHSYBO-JTQLQIEISA-N 0 0 271.307 3.076 20 10 CGCDRN CS[C@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773026472 625850528 /nfs/dbraw/zinc/85/05/28/625850528.db2.gz ROHJYWGKCWLZNP-VXGBXAGGSA-N 0 0 280.437 3.071 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CCCCC2)cc1 ZINC000873735095 634474352 /nfs/dbraw/zinc/47/43/52/634474352.db2.gz XKYRNJXFWLPMGD-UHFFFAOYSA-N 0 0 288.351 3.159 20 10 CGCDRN C[C@@H](NC(=S)NC1(C)CCC1)c1ccc(N(C)C)cc1 ZINC000840740217 626084538 /nfs/dbraw/zinc/08/45/38/626084538.db2.gz AGCCUJZAVRHUKX-GFCCVEGCSA-N 0 0 291.464 3.220 20 10 CGCDRN CC(C)C(CNC(=O)C1=CC(=O)CS1)C(C)C ZINC000774141221 626091647 /nfs/dbraw/zinc/09/16/47/626091647.db2.gz SLOLXYXINWZDCL-UHFFFAOYSA-N 0 0 255.383 3.112 20 10 CGCDRN CCCOc1ccc(C[NH2+]Cc2cncc(O)c2)cc1C ZINC000922975890 626111480 /nfs/dbraw/zinc/11/14/80/626111480.db2.gz MVOHXXFYUDYGLV-UHFFFAOYSA-N 0 0 286.375 3.174 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2nccn2C(F)F)cc1C ZINC000074172154 626137107 /nfs/dbraw/zinc/13/71/07/626137107.db2.gz XBCJCQDPMOKFQR-UHFFFAOYSA-N 0 0 295.333 3.233 20 10 CGCDRN O=C(Nc1cccc(-c2ncco2)c1)c1cccc(O)c1O ZINC000187203155 626164703 /nfs/dbraw/zinc/16/47/03/626164703.db2.gz NGFRMPIWFMAONE-UHFFFAOYSA-N 0 0 296.282 3.005 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(C)cc1O ZINC000840815671 626248843 /nfs/dbraw/zinc/24/88/43/626248843.db2.gz OWCYTSVABOWQTQ-JSGCOSHPSA-N 0 0 273.380 3.236 20 10 CGCDRN COc1ccc(N(C)CCOCC2CCCC2)cc1OC ZINC000838798891 626250809 /nfs/dbraw/zinc/25/08/09/626250809.db2.gz VGDIJFBFYKUUQU-UHFFFAOYSA-N 0 0 293.407 3.347 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C3CC3)nc2)cc1OC ZINC000839011046 626297519 /nfs/dbraw/zinc/29/75/19/626297519.db2.gz FYKFPEVJNSLPOU-UHFFFAOYSA-N 0 0 299.374 3.008 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000839147173 626317137 /nfs/dbraw/zinc/31/71/37/626317137.db2.gz FPDPXLJRKPNLMG-TXEJJXNPSA-N 0 0 269.772 3.091 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000839139060 626322422 /nfs/dbraw/zinc/32/24/22/626322422.db2.gz XJDSFKCRXCDZRL-UHFFFAOYSA-N 0 0 279.689 3.430 20 10 CGCDRN CN(C)c1ccc(CN2CC3CC2(C(F)(F)F)C3)cc1 ZINC000839192996 626329095 /nfs/dbraw/zinc/32/90/95/626329095.db2.gz RTMGLMTVBKQJEG-UHFFFAOYSA-N 0 0 284.325 3.279 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(F)cc1[O-] ZINC000840821962 626353879 /nfs/dbraw/zinc/35/38/79/626353879.db2.gz QGAHROUGJQQOTM-GUTXKFCHSA-N 0 0 267.344 3.140 20 10 CGCDRN O=C(N(Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000752088605 626418420 /nfs/dbraw/zinc/41/84/20/626418420.db2.gz MOMRYSZKBXZTPX-UHFFFAOYSA-N 0 0 299.248 3.076 20 10 CGCDRN CC(C)c1cccnc1NC(=O)C1=CC(=O)CS1 ZINC000752661364 626435025 /nfs/dbraw/zinc/43/50/25/626435025.db2.gz QDLYYNVPNKSHDE-UHFFFAOYSA-N 0 0 262.334 3.224 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc(N(C)C)cc2)cn1 ZINC000754233863 626564339 /nfs/dbraw/zinc/56/43/39/626564339.db2.gz GTLFKEKRWOWBOZ-KPKJPENVSA-N 0 0 295.386 3.132 20 10 CGCDRN COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000754382694 626570326 /nfs/dbraw/zinc/57/03/26/626570326.db2.gz FPJJTNGHHZTIBQ-CQSZACIVSA-N 0 0 299.798 3.009 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(C)nc1 ZINC000754415813 626571655 /nfs/dbraw/zinc/57/16/55/626571655.db2.gz JAZPHFDRTYCZNC-VURMDHGXSA-N 0 0 278.355 3.301 20 10 CGCDRN CCC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756340682 626693259 /nfs/dbraw/zinc/69/32/59/626693259.db2.gz LILBMFYLUVDCEL-GHMZBOCLSA-N 0 0 265.353 3.018 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2CCCC2)c1 ZINC000756371892 626697717 /nfs/dbraw/zinc/69/77/17/626697717.db2.gz PDYWQYSIEWRWAT-LBPRGKRZSA-N 0 0 291.391 3.410 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccsc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756378832 626698910 /nfs/dbraw/zinc/69/89/10/626698910.db2.gz HENWQXUHYDHVPF-SNVBAGLBSA-N 0 0 292.360 3.255 20 10 CGCDRN C[C@H]([NH2+]CCC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756465174 626707749 /nfs/dbraw/zinc/70/77/49/626707749.db2.gz JIFGYAFFLKVWKO-JTQLQIEISA-N 0 0 266.341 3.387 20 10 CGCDRN C[C@@H]1C[C@H](NCc2cscn2)c2c1c(F)ccc2O ZINC000756511701 626711103 /nfs/dbraw/zinc/71/11/03/626711103.db2.gz ZXWZIFUTDWPXJB-KCJUWKMLSA-N 0 0 278.352 3.326 20 10 CGCDRN CC(C)[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756592936 626719317 /nfs/dbraw/zinc/71/93/17/626719317.db2.gz KCXJCQRWMOTPJD-MNOVXSKESA-N 0 0 266.341 3.243 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756636238 626722793 /nfs/dbraw/zinc/72/27/93/626722793.db2.gz WHRBDJBGCBBDCI-GHMZBOCLSA-N 0 0 292.329 3.347 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccncc1 ZINC000756636371 626722901 /nfs/dbraw/zinc/72/29/01/626722901.db2.gz XDBNYXZEVPHQRN-NEPJUHHUSA-N 0 0 274.339 3.381 20 10 CGCDRN CN(C)c1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC000756654698 626724617 /nfs/dbraw/zinc/72/46/17/626724617.db2.gz XWYLMXVGXPQRDF-UHFFFAOYSA-N 0 0 284.359 3.118 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756648967 626724699 /nfs/dbraw/zinc/72/46/99/626724699.db2.gz MFLLWSXOMFNSTQ-OXHMUOHRSA-N 0 0 285.334 3.135 20 10 CGCDRN C[C@@H]([NH2+]CCSC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756683913 626726690 /nfs/dbraw/zinc/72/66/90/626726690.db2.gz WRMUAUKRRQYVCJ-SNVBAGLBSA-N 0 0 298.408 3.483 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(F)cc(F)c1[O-] ZINC000756732430 626727986 /nfs/dbraw/zinc/72/79/86/626727986.db2.gz HKSFMSQKTQHEAT-VHSXEESVSA-N 0 0 287.350 3.118 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2CCC2)c1 ZINC000756744215 626729518 /nfs/dbraw/zinc/72/95/18/626729518.db2.gz ZRYBMHGHMQUJID-NSHDSACASA-N 0 0 277.364 3.020 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(-c3ccccn3)c2)c1 ZINC000756858193 626738305 /nfs/dbraw/zinc/73/83/05/626738305.db2.gz RQHDBWLZYOCUGR-CYBMUJFWSA-N 0 0 294.358 3.454 20 10 CGCDRN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)C1=CC(=O)CS1 ZINC000839782605 626788039 /nfs/dbraw/zinc/78/80/39/626788039.db2.gz NCJSBGVPROFQEK-DGCLKSJQSA-N 0 0 267.394 3.206 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757654231 626797682 /nfs/dbraw/zinc/79/76/82/626797682.db2.gz CHZOVJDUBWWVPZ-PWSUYJOCSA-N 0 0 296.392 3.237 20 10 CGCDRN C[C@H](Nc1cccc2c1OCO2)c1cc(F)ccc1O ZINC000757659961 626798141 /nfs/dbraw/zinc/79/81/41/626798141.db2.gz WNPIQKFSXOGGNG-VIFPVBQESA-N 0 0 275.279 3.433 20 10 CGCDRN CC1(C)CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000757664807 626798771 /nfs/dbraw/zinc/79/87/71/626798771.db2.gz KPMXIOWICXKAHY-AWEZNQCLSA-N 0 0 276.380 3.160 20 10 CGCDRN CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000757691688 626801357 /nfs/dbraw/zinc/80/13/57/626801357.db2.gz CFADUILTPQBKTI-UHFFFAOYSA-N 0 0 278.352 3.360 20 10 CGCDRN CN(C)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000757704539 626802612 /nfs/dbraw/zinc/80/26/12/626802612.db2.gz MMVSWPWVYDQFQL-UHFFFAOYSA-N 0 0 272.304 3.240 20 10 CGCDRN CC[C@H](C)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000757765575 626806986 /nfs/dbraw/zinc/80/69/86/626806986.db2.gz IFICESGFVIFHRF-DJYGCBNOSA-N 0 0 292.335 3.016 20 10 CGCDRN CCCCOC(=O)[C@@H](C)N(C)c1ccc(OC)c(F)c1 ZINC000757851615 626810314 /nfs/dbraw/zinc/81/03/14/626810314.db2.gz BVMHRMANLCHGMS-LLVKDONJSA-N 0 0 283.343 3.002 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c(c2)CCO3)cc1F ZINC000757851201 626810349 /nfs/dbraw/zinc/81/03/49/626810349.db2.gz DYCQAXOATZXEKH-UHFFFAOYSA-N 0 0 287.334 3.406 20 10 CGCDRN COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2O)cn1 ZINC000757917372 626813554 /nfs/dbraw/zinc/81/35/54/626813554.db2.gz FLGGAIKSMVWHFA-UHFFFAOYSA-N 0 0 292.766 3.081 20 10 CGCDRN CCCN(CC)C(=O)NCCCSc1nccs1 ZINC000759601886 626908753 /nfs/dbraw/zinc/90/87/53/626908753.db2.gz PRASDOKBPPXYCO-UHFFFAOYSA-N 0 0 287.454 3.067 20 10 CGCDRN CCC(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000760016206 626936412 /nfs/dbraw/zinc/93/64/12/626936412.db2.gz IPTNQCYBELAMJK-NSHDSACASA-N 0 0 279.380 3.266 20 10 CGCDRN COc1ccc(N(C)Cc2coc(C3CC3)n2)cc1OC ZINC000761222859 627026405 /nfs/dbraw/zinc/02/64/05/627026405.db2.gz SPKQTQCGUVCGFB-UHFFFAOYSA-N 0 0 288.347 3.206 20 10 CGCDRN CC(C)CC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000761601173 627053198 /nfs/dbraw/zinc/05/31/98/627053198.db2.gz CGPFAUVYGSWPPK-UHFFFAOYSA-N 0 0 267.394 3.352 20 10 CGCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1C ZINC000762652676 627119232 /nfs/dbraw/zinc/11/92/32/627119232.db2.gz SAHFUZAICKNDNG-UHFFFAOYSA-N 0 0 298.386 3.460 20 10 CGCDRN Cc1cccc(CNc2ccccc2C[S@](C)=O)c1O ZINC000762790221 627124341 /nfs/dbraw/zinc/12/43/41/627124341.db2.gz ASPXCBJVSJSGGC-FQEVSTJZSA-N 0 0 289.400 3.191 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCc3c2cccc3F)cn1 ZINC000763750940 627175815 /nfs/dbraw/zinc/17/58/15/627175815.db2.gz UHYVNEQLYGEMJF-FPLPWBNLSA-N 0 0 282.318 3.132 20 10 CGCDRN O=C(NCCC1=CCCCCC1)NCc1ccccc1O ZINC000766648239 627350529 /nfs/dbraw/zinc/35/05/29/627350529.db2.gz IITCJNCTFIJBHD-UHFFFAOYSA-N 0 0 288.391 3.472 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCF)cc1 ZINC000767961465 627446586 /nfs/dbraw/zinc/44/65/86/627446586.db2.gz QFTOEGKGBASHIT-UHFFFAOYSA-N 0 0 295.402 3.034 20 10 CGCDRN CCCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768142734 627462970 /nfs/dbraw/zinc/46/29/70/627462970.db2.gz NIMMLGJRMMRCOY-UHFFFAOYSA-N 0 0 272.732 3.186 20 10 CGCDRN CC(=O)N1CCc2c1cccc2N[C@H](C)c1ccccc1O ZINC000769418535 627550353 /nfs/dbraw/zinc/55/03/53/627550353.db2.gz SAOGWNAYZDHBSU-GFCCVEGCSA-N 0 0 296.370 3.474 20 10 CGCDRN CCC/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000769562512 627567009 /nfs/dbraw/zinc/56/70/09/627567009.db2.gz DUWTZLZNJAWSJM-WTKPLQERSA-N 0 0 273.376 3.244 20 10 CGCDRN C[C@H](Nc1cnn(C)c1C1CC1)c1ccc(F)cc1O ZINC000769982500 627594375 /nfs/dbraw/zinc/59/43/75/627594375.db2.gz XPDKWMAMHUBJAB-VIFPVBQESA-N 0 0 275.327 3.315 20 10 CGCDRN C[C@H]1c2ccc(F)cc2CCN1C(=O)C1=CC(=O)CS1 ZINC000771062575 627680303 /nfs/dbraw/zinc/68/03/03/627680303.db2.gz BJERNVWOVVBWAA-VIFPVBQESA-N 0 0 291.347 3.352 20 10 CGCDRN c1ccn(-c2ccc(-c3nc([C@H]4CCCOC4)no3)cc2)c1 ZINC000771603281 627722423 /nfs/dbraw/zinc/72/24/23/627722423.db2.gz QPOHSPLUYYQKRU-AWEZNQCLSA-N 0 0 295.342 3.421 20 10 CGCDRN CC[C@H](C)[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000772917883 627832221 /nfs/dbraw/zinc/83/22/21/627832221.db2.gz ZCTRBDXKGFOUQM-JQWIXIFHSA-N 0 0 267.394 3.495 20 10 CGCDRN CC1=C(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCO1 ZINC000772999821 627839250 /nfs/dbraw/zinc/83/92/50/627839250.db2.gz MSWYQSGIATUPBR-LBPRGKRZSA-N 0 0 288.391 3.014 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000773294226 627872417 /nfs/dbraw/zinc/87/24/17/627872417.db2.gz RWEBGUCVIMFEQH-TZMCWYRMSA-N 0 0 289.423 3.159 20 10 CGCDRN C[C@H](NC(=O)N1C[C@H](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773617045 627900943 /nfs/dbraw/zinc/90/09/43/627900943.db2.gz MPKLHWUYAWIXOI-IHRRRGAJSA-N 0 0 289.423 3.111 20 10 CGCDRN C[C@H]([NH2+]CCN1CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269976 627970616 /nfs/dbraw/zinc/97/06/16/627970616.db2.gz MIIBUDAEYPTRIO-VIFPVBQESA-N 0 0 289.206 3.055 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1O ZINC000775402617 628091493 /nfs/dbraw/zinc/09/14/93/628091493.db2.gz FENRJJVOAMBELA-CYBMUJFWSA-N 0 0 298.386 3.258 20 10 CGCDRN C[C@H](NC(=O)Nc1ccccn1)c1ccc(N(C)C)cc1 ZINC000775434628 628094786 /nfs/dbraw/zinc/09/47/86/628094786.db2.gz LGLMDDMWLXXWSL-LBPRGKRZSA-N 0 0 284.363 3.030 20 10 CGCDRN CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(C)c1O ZINC000775643036 628118087 /nfs/dbraw/zinc/11/80/87/628118087.db2.gz RPWOIFPHFJNXDQ-RISCZKNCSA-N 0 0 283.799 3.353 20 10 CGCDRN CCOCC[N@H+](CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775663845 628121806 /nfs/dbraw/zinc/12/18/06/628121806.db2.gz FGZLDLLNNLHFBQ-UHFFFAOYSA-N 0 0 275.751 3.043 20 10 CGCDRN CCCC[C@H](NCc1cc(Cl)cc(C)c1O)C(=O)OC ZINC000775978784 628154816 /nfs/dbraw/zinc/15/48/16/628154816.db2.gz IOMCYHZGHRKQDY-ZDUSSCGKSA-N 0 0 299.798 3.175 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(Cl)nc1 ZINC000776026182 628159850 /nfs/dbraw/zinc/15/98/50/628159850.db2.gz JYQKBTWVMUJQQD-UHFFFAOYSA-N 0 0 283.158 3.384 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000776154222 628171166 /nfs/dbraw/zinc/17/11/66/628171166.db2.gz QDYZRVJKCRAWBH-UHFFFAOYSA-N 0 0 289.762 3.270 20 10 CGCDRN COc1ccc(O)c(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000776174824 628175961 /nfs/dbraw/zinc/17/59/61/628175961.db2.gz HHKKYTWFORDLIK-UHFFFAOYSA-N 0 0 293.750 3.050 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCCC2CC2)c1[O-] ZINC000776209324 628180616 /nfs/dbraw/zinc/18/06/16/628180616.db2.gz UYNMHFONJGIHPO-UHFFFAOYSA-N 0 0 284.743 3.234 20 10 CGCDRN COc1ccc(NCc2c(O)cccc2Cl)c(OC)n1 ZINC000776252913 628184471 /nfs/dbraw/zinc/18/44/71/628184471.db2.gz JLAVTMJOOXWURS-UHFFFAOYSA-N 0 0 294.738 3.070 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC=CCC2)cc1 ZINC000778988234 628381003 /nfs/dbraw/zinc/38/10/03/628381003.db2.gz AMWVYDDXMCFJQV-UHFFFAOYSA-N 0 0 280.371 3.496 20 10 CGCDRN Oc1ccc(F)cc1CN(CC(F)F)CC1CCC1 ZINC000779028012 628383852 /nfs/dbraw/zinc/38/38/52/628383852.db2.gz FHTITZCHPMZQIN-UHFFFAOYSA-N 0 0 273.298 3.399 20 10 CGCDRN Oc1ccccc1CN1CCc2ccc(F)c(F)c2C1 ZINC000779031921 628384462 /nfs/dbraw/zinc/38/44/62/628384462.db2.gz BVMJTQNLWOZXLT-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]c2cccc(F)c21 ZINC000125218378 634656354 /nfs/dbraw/zinc/65/63/54/634656354.db2.gz ZMEGPBBJJDCPJD-UHFFFAOYSA-N 0 0 298.317 3.285 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnn(C(C)C)c1 ZINC000780767787 628515892 /nfs/dbraw/zinc/51/58/92/628515892.db2.gz XUSWASAWODWQBN-UHFFFAOYSA-N 0 0 285.391 3.425 20 10 CGCDRN CN(C[C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCO2 ZINC000780778680 628516129 /nfs/dbraw/zinc/51/61/29/628516129.db2.gz NRLFXHMFCFCOFS-ZDUSSCGKSA-N 0 0 297.354 3.418 20 10 CGCDRN Cc1ccc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000780778458 628516160 /nfs/dbraw/zinc/51/61/60/628516160.db2.gz KPVRYQPBQLKXHC-UHFFFAOYSA-N 0 0 261.346 3.422 20 10 CGCDRN Cc1ccsc1CN(C)c1ccc2c(c1)OCO2 ZINC000780778899 628516743 /nfs/dbraw/zinc/51/67/43/628516743.db2.gz XDGHCKFNKCELSK-UHFFFAOYSA-N 0 0 261.346 3.422 20 10 CGCDRN Oc1c(Cl)cccc1CN1CCOc2ccccc21 ZINC000780896971 628522935 /nfs/dbraw/zinc/52/29/35/628522935.db2.gz TUKJOTBNXPXVAZ-UHFFFAOYSA-N 0 0 275.735 3.445 20 10 CGCDRN C[C@H](NC(=O)C1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000782627743 628656787 /nfs/dbraw/zinc/65/67/87/628656787.db2.gz KGVCNFZSYWRBTP-ZDUSSCGKSA-N 0 0 272.392 3.430 20 10 CGCDRN COc1ccc(N(C)CC[C@H]2CCOC2)cc1Cl ZINC000783665482 628737073 /nfs/dbraw/zinc/73/70/73/628737073.db2.gz VLDHKCUAOQEIRT-NSHDSACASA-N 0 0 269.772 3.211 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)[C@H](C)[C@@H](C)O1 ZINC000783736973 628743704 /nfs/dbraw/zinc/74/37/04/628743704.db2.gz GTRPNNIQGPATMV-GMTAPVOTSA-N 0 0 269.772 3.043 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)[C@H](C)[C@H](C)O1 ZINC000783736974 628743781 /nfs/dbraw/zinc/74/37/81/628743781.db2.gz GTRPNNIQGPATMV-MXWKQRLJSA-N 0 0 269.772 3.043 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](F)C(C)C)cc1 ZINC000784072359 628775420 /nfs/dbraw/zinc/77/54/20/628775420.db2.gz NLDKQLDCFDOTLF-HNNXBMFYSA-N 0 0 280.387 3.143 20 10 CGCDRN COc1ccc(N(C)CCCC(=O)OC(C)(C)C)cc1F ZINC000784165026 628790272 /nfs/dbraw/zinc/79/02/72/628790272.db2.gz GYKOIZSSBOCCCZ-UHFFFAOYSA-N 0 0 297.370 3.392 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCc2ccccc21 ZINC000784288557 628801842 /nfs/dbraw/zinc/80/18/42/628801842.db2.gz YVTWKVDOJKTSEZ-BHMZLHOFSA-N 0 0 296.322 3.342 20 10 CGCDRN CCN(C[C@H]1CCO[C@H](C)C1)c1ccc(OC)cc1 ZINC000785732462 628883477 /nfs/dbraw/zinc/88/34/77/628883477.db2.gz NNNYZHIADPMRTC-KGLIPLIRSA-N 0 0 263.381 3.337 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)c(O)c1O ZINC000785758634 628886082 /nfs/dbraw/zinc/88/60/82/628886082.db2.gz CJRGCMRTSNTEMD-ZYHUDNBSSA-N 0 0 277.364 3.105 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1cc2ccccc2o1 ZINC000785831806 628890915 /nfs/dbraw/zinc/89/09/15/628890915.db2.gz VNTSXUHZKXMDJV-SNVBAGLBSA-N 0 0 297.310 3.335 20 10 CGCDRN Cc1cnc(Cl)c(NC(=O)NCc2ccccc2O)c1 ZINC000787446471 629012809 /nfs/dbraw/zinc/01/28/09/629012809.db2.gz GOVPQPQYIKNCGY-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN CCc1cccc(COC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000787748195 629026956 /nfs/dbraw/zinc/02/69/56/629026956.db2.gz ORLDXWPMRIXVQI-VQHVLOKHSA-N 0 0 298.338 3.417 20 10 CGCDRN Oc1ccc(Cl)c(F)c1CNc1ccc(Cl)nn1 ZINC000787787541 629030343 /nfs/dbraw/zinc/03/03/43/629030343.db2.gz FRGLVFFAXYZRLU-UHFFFAOYSA-N 0 0 288.109 3.240 20 10 CGCDRN Cc1cc(C(=O)N2CC(C)C2)c(C)n1-c1ccccc1C ZINC000788195197 629041169 /nfs/dbraw/zinc/04/11/69/629041169.db2.gz IEIAAPVAJUSTOI-UHFFFAOYSA-N 0 0 282.387 3.494 20 10 CGCDRN CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788604584 629068330 /nfs/dbraw/zinc/06/83/30/629068330.db2.gz UNQHKIFHGCVUCH-ZJUUUORDSA-N 0 0 291.313 3.223 20 10 CGCDRN Cc1ccc(C(=O)OCCCCOC(C)(C)C)c(O)c1O ZINC000789040713 629098803 /nfs/dbraw/zinc/09/88/03/629098803.db2.gz DDFUZPUNCQVQNZ-UHFFFAOYSA-N 0 0 296.363 3.158 20 10 CGCDRN C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000789557072 629145052 /nfs/dbraw/zinc/14/50/52/629145052.db2.gz FWMISXJKAMHRKR-ZDUSSCGKSA-N 0 0 290.190 3.046 20 10 CGCDRN Cc1nnc(NCc2c(O)ccc(Cl)c2F)n1C1CC1 ZINC000789892550 629172550 /nfs/dbraw/zinc/17/25/50/629172550.db2.gz DARWNJRJEXANBJ-UHFFFAOYSA-N 0 0 296.733 3.032 20 10 CGCDRN CCCCCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000790070199 629181385 /nfs/dbraw/zinc/18/13/85/629181385.db2.gz KJLNIRXDWZSUGZ-SNVBAGLBSA-N 0 0 283.343 3.326 20 10 CGCDRN CC(C)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000790070842 629181595 /nfs/dbraw/zinc/18/15/95/629181595.db2.gz IOBVFOCPSWPIOC-NSHDSACASA-N 0 0 295.354 3.135 20 10 CGCDRN Cc1csc(C(=O)NCc2ccc(O)c(O)c2)c1Cl ZINC000790788458 629230852 /nfs/dbraw/zinc/23/08/52/629230852.db2.gz XYWWKDNQAAOUIF-UHFFFAOYSA-N 0 0 297.763 3.051 20 10 CGCDRN COc1cc(Cl)ccc1NC(=O)c1cccc(O)c1O ZINC000790939391 629241940 /nfs/dbraw/zinc/24/19/40/629241940.db2.gz AGKDPUHTMBMSFZ-UHFFFAOYSA-N 0 0 293.706 3.012 20 10 CGCDRN CCOC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790990607 629247491 /nfs/dbraw/zinc/24/74/91/629247491.db2.gz HFOGODQCHOYRPG-LBPRGKRZSA-N 0 0 289.778 3.335 20 10 CGCDRN C[C@H](NC(=O)C(C)(C)C(F)F)c1ccc(N(C)C)cc1 ZINC000791720375 629297219 /nfs/dbraw/zinc/29/72/19/629297219.db2.gz NHJXPCVXSHCMJV-JTQLQIEISA-N 0 0 284.350 3.221 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C3CC3)o2)cc1OC ZINC000862325633 629344369 /nfs/dbraw/zinc/34/43/69/629344369.db2.gz DIUDLBHAFCCLNI-UHFFFAOYSA-N 0 0 288.347 3.206 20 10 CGCDRN C[C@H](NC(=O)NCCC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000792179339 629346136 /nfs/dbraw/zinc/34/61/36/629346136.db2.gz OWKABCGWIBRKRI-ZDUSSCGKSA-N 0 0 289.423 3.303 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(OC)c2C)c1 ZINC000862481163 629385348 /nfs/dbraw/zinc/38/53/48/629385348.db2.gz UGWGAYOIPQEYEN-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CCC(F)(F)CNCc1ccc(N(C)C)cc1C ZINC000862489486 629389175 /nfs/dbraw/zinc/38/91/75/629389175.db2.gz NCIWNMKRADIPGG-UHFFFAOYSA-N 0 0 256.340 3.196 20 10 CGCDRN CCOc1ccc(O)c(C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000862529832 629392168 /nfs/dbraw/zinc/39/21/68/629392168.db2.gz OVFIAROAZTUIHW-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN CC(C)C1C[NH+](Cc2cccc(Br)c2[O-])C1 ZINC000793193195 629426930 /nfs/dbraw/zinc/42/69/30/629426930.db2.gz SDYVVJUOSVKNHF-UHFFFAOYSA-N 0 0 284.197 3.243 20 10 CGCDRN Cc1cccc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)n1 ZINC000793202305 629427655 /nfs/dbraw/zinc/42/76/55/629427655.db2.gz GDPHPKBHMCXQEC-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C\C2CCCC2)c1 ZINC000862754742 629428904 /nfs/dbraw/zinc/42/89/04/629428904.db2.gz IUQCKQDHQRWYSF-CLFYSBASSA-N 0 0 259.349 3.063 20 10 CGCDRN COc1ccc(CNC(=O)CCCC2CCCC2)c(O)c1 ZINC000794382783 629538336 /nfs/dbraw/zinc/53/83/36/629538336.db2.gz IELXDXPSAQVNIL-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000794389990 629539565 /nfs/dbraw/zinc/53/95/65/629539565.db2.gz VRFZYZBNGWMXTK-WFASDCNBSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1cccc(Nc2ccc(NC[C@H](C)O)cc2)c1 ZINC000863566960 629606641 /nfs/dbraw/zinc/60/66/41/629606641.db2.gz ADHCAAPRZRLOPS-LBPRGKRZSA-N 0 0 272.348 3.232 20 10 CGCDRN COc1ccc(NCc2cc(F)ccc2O)c(F)c1 ZINC000864042308 629737280 /nfs/dbraw/zinc/73/72/80/629737280.db2.gz FBFMOBDJWOLBLP-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN C[C@H]1CSC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796482027 629788721 /nfs/dbraw/zinc/78/87/21/629788721.db2.gz JXOLVIYQZRHKIH-OIBJUYFYSA-N 0 0 275.776 3.026 20 10 CGCDRN CC[C@H]([NH2+]Cc1cscn1)c1ccc(F)cc1[O-] ZINC000796736265 629823695 /nfs/dbraw/zinc/82/36/95/629823695.db2.gz CRNKPKHFEGBARK-LBPRGKRZSA-N 0 0 266.341 3.229 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000796785845 629834294 /nfs/dbraw/zinc/83/42/94/629834294.db2.gz ZLEWJDGMAYUFII-WFASDCNBSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccc(F)cc1[O-] ZINC000796789536 629835082 /nfs/dbraw/zinc/83/50/82/629835082.db2.gz VFKJXQOGAKPLBE-ZIAGYGMSSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1[O-] ZINC000796799435 629836309 /nfs/dbraw/zinc/83/63/09/629836309.db2.gz UIRIASIYXKPVEV-CQSZACIVSA-N 0 0 278.302 3.306 20 10 CGCDRN CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(F)cc1[O-] ZINC000796793263 629836473 /nfs/dbraw/zinc/83/64/73/629836473.db2.gz REDXWLCEPZTOLT-DZGCQCFKSA-N 0 0 267.344 3.141 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000797065575 629880541 /nfs/dbraw/zinc/88/05/41/629880541.db2.gz LZVNEQCEAGEVEP-YVZVNANGSA-N 0 0 273.348 3.073 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)NCc2ccccc2O)[C@H]1c1ccccc1 ZINC000797742642 629979613 /nfs/dbraw/zinc/97/96/13/629979613.db2.gz AKYYXOLEYXRGJM-JCURWCKSSA-N 0 0 281.355 3.058 20 10 CGCDRN Cc1cc(O)c(CNc2nnc([C@H]3C[C@@H]3C)o2)c(Cl)c1 ZINC000865294998 630057132 /nfs/dbraw/zinc/05/71/32/630057132.db2.gz WLDPXAUSHXIXPQ-IUCAKERBSA-N 0 0 293.754 3.473 20 10 CGCDRN Cc1cc(O)c(CNc2nnc([C@H]3C[C@@H]3C)o2)cc1C ZINC000865295127 630057410 /nfs/dbraw/zinc/05/74/10/630057410.db2.gz ZEMXXNYVZTXCTI-JQWIXIFHSA-N 0 0 273.336 3.128 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C(C3CC3)C3CC3)ccc21 ZINC000120532003 630106711 /nfs/dbraw/zinc/10/67/11/630106711.db2.gz ODASZCMXTZQDNT-UHFFFAOYSA-N 0 0 298.430 3.121 20 10 CGCDRN COc1cccc(CNc2nc(C)cc(C(C)C)n2)c1O ZINC000865503697 630157260 /nfs/dbraw/zinc/15/72/60/630157260.db2.gz YFLHCNSIEDEBHX-UHFFFAOYSA-N 0 0 287.363 3.235 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccoc1 ZINC000839915633 630294838 /nfs/dbraw/zinc/29/48/38/630294838.db2.gz ISKKAFISRAUREZ-ZDUSSCGKSA-N 0 0 286.375 3.015 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1CC1 ZINC000800802382 630300068 /nfs/dbraw/zinc/30/00/68/630300068.db2.gz KIXBKLUVTIHMRX-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1nc2ccccc2o1 ZINC000801311776 630331171 /nfs/dbraw/zinc/33/11/71/630331171.db2.gz VGKWHJKVDPKREI-VIFPVBQESA-N 0 0 299.282 3.157 20 10 CGCDRN CCc1cc(CCCSc2nccs2)on1 ZINC000806587553 630569865 /nfs/dbraw/zinc/56/98/65/630569865.db2.gz BCCSSRZGYOWQAT-UHFFFAOYSA-N 0 0 254.380 3.418 20 10 CGCDRN Oc1ccc2ccccc2c1CN1CCOCC(F)(F)C1 ZINC000808235297 630631862 /nfs/dbraw/zinc/63/18/62/630631862.db2.gz KPADKNIWSQIUNM-UHFFFAOYSA-N 0 0 293.313 3.013 20 10 CGCDRN Oc1cccc(Cl)c1CNCc1nccc(C(F)F)n1 ZINC000808435805 630644875 /nfs/dbraw/zinc/64/48/75/630644875.db2.gz XQSVASQSFITGNS-UHFFFAOYSA-N 0 0 299.708 3.063 20 10 CGCDRN CCN(Cc1nc(CC2CC2)no1)c1ccc(OC)cc1 ZINC000878219939 635421257 /nfs/dbraw/zinc/42/12/57/635421257.db2.gz VKNZZVKNCOPIQH-UHFFFAOYSA-N 0 0 287.363 3.057 20 10 CGCDRN CN(Cc1scnc1Cl)c1ccc2c(c1)OCO2 ZINC000878302609 635451424 /nfs/dbraw/zinc/45/14/24/635451424.db2.gz SLSSIRUCOAQODC-UHFFFAOYSA-N 0 0 282.752 3.162 20 10 CGCDRN C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809701062 630785502 /nfs/dbraw/zinc/78/55/02/630785502.db2.gz AZTVAMDMDXPUNR-WRWORJQWSA-N 0 0 275.776 3.026 20 10 CGCDRN CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809723272 630791190 /nfs/dbraw/zinc/79/11/90/630791190.db2.gz FDYBPIFCTCMOPB-LLVKDONJSA-N 0 0 257.736 3.463 20 10 CGCDRN CC(C)c1cnc(COc2ccc(N(C)C)cc2)o1 ZINC000810001024 630826474 /nfs/dbraw/zinc/82/64/74/630826474.db2.gz UONLHXOIQRVYKR-UHFFFAOYSA-N 0 0 260.337 3.443 20 10 CGCDRN CCCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000811812082 631122682 /nfs/dbraw/zinc/12/26/82/631122682.db2.gz POANYBUAPVAVIO-AWEZNQCLSA-N 0 0 291.439 3.473 20 10 CGCDRN Fc1ccccc1NNC(=S)Nc1ccccc1F ZINC000812474970 631265303 /nfs/dbraw/zinc/26/53/03/631265303.db2.gz LVPYZJLCKQBFDN-UHFFFAOYSA-N 0 0 279.315 3.278 20 10 CGCDRN CC[C@@H]1CCN1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000813590657 631439742 /nfs/dbraw/zinc/43/97/42/631439742.db2.gz BJNPEJUCLQJCHW-OAHLLOKOSA-N 0 0 289.423 3.227 20 10 CGCDRN Cc1ccoc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000813882569 631476474 /nfs/dbraw/zinc/47/64/74/631476474.db2.gz CPERANXIGIWIQO-SECBINFHSA-N 0 0 267.275 3.423 20 10 CGCDRN Cc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)cn1 ZINC000814185659 631541965 /nfs/dbraw/zinc/54/19/65/631541965.db2.gz MPJPCEQNQLKDKB-GHXNOFRVSA-N 0 0 290.413 3.144 20 10 CGCDRN CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000815640639 631810328 /nfs/dbraw/zinc/81/03/28/631810328.db2.gz CIDRVHVRRRUEHX-QMMMGPOBSA-N 0 0 296.317 3.380 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000816516745 632001617 /nfs/dbraw/zinc/00/16/17/632001617.db2.gz ORFQMTARLAOKPU-JTQLQIEISA-N 0 0 269.747 3.417 20 10 CGCDRN CCCn1cc(NCc2cc(Cl)c(F)cc2O)cn1 ZINC000816528343 632004258 /nfs/dbraw/zinc/00/42/58/632004258.db2.gz XWMIWFBKIKMQKT-UHFFFAOYSA-N 0 0 283.734 3.403 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554281 632010319 /nfs/dbraw/zinc/01/03/19/632010319.db2.gz UBBPOUAAZNGNPV-SECBINFHSA-N 0 0 289.778 3.478 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCO1 ZINC000816559939 632013494 /nfs/dbraw/zinc/01/34/94/632013494.db2.gz ZTEKAAIYBAMIGA-JSGCOSHPSA-N 0 0 287.762 3.232 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630843 632026351 /nfs/dbraw/zinc/02/63/51/632026351.db2.gz UMHVDUFQVQVUAI-CYBMUJFWSA-N 0 0 299.773 3.064 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3=CCOCC3)cc12 ZINC000817761010 632223135 /nfs/dbraw/zinc/22/31/35/632223135.db2.gz JLFMLEFMDTWRCW-UHFFFAOYSA-N 0 0 285.343 3.047 20 10 CGCDRN C[C@H](NCC[NH2+]C1CC1)c1cc(Cl)c(Cl)cc1O ZINC000817952309 632247476 /nfs/dbraw/zinc/24/74/76/632247476.db2.gz DMYOKOQRSIMRQW-QMMMGPOBSA-N 0 0 289.206 3.102 20 10 CGCDRN Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(N)cc1 ZINC000818556515 632333976 /nfs/dbraw/zinc/33/39/76/632333976.db2.gz YHVOAPIDRBIJFR-UHFFFAOYSA-N 0 0 287.388 3.239 20 10 CGCDRN C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000819021177 632366463 /nfs/dbraw/zinc/36/64/63/632366463.db2.gz MTYJDPYOGKTDFV-XJKSGUPXSA-N 0 0 274.408 3.195 20 10 CGCDRN CCOc1ccccc1NC[C@@H](O)CCC(C)C ZINC000819392863 632447558 /nfs/dbraw/zinc/44/75/58/632447558.db2.gz YZGVIOSLECUMRT-ZDUSSCGKSA-N 0 0 251.370 3.294 20 10 CGCDRN CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(N)cc1 ZINC000819928519 632538563 /nfs/dbraw/zinc/53/85/63/632538563.db2.gz LCSXBBYEBQNDLU-MRXNPFEDSA-N 0 0 296.414 3.462 20 10 CGCDRN C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000820241750 632595861 /nfs/dbraw/zinc/59/58/61/632595861.db2.gz NGOSWTRBHKZIAF-QWRGUYRKSA-N 0 0 288.351 3.110 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(N3CCCC3=O)cc2)c1 ZINC000103855300 632744653 /nfs/dbraw/zinc/74/46/53/632744653.db2.gz DTLDQUYRWWNRBM-UHFFFAOYSA-N 0 0 296.370 3.440 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C2CCC2)cc1 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633152062 /nfs/dbraw/zinc/15/20/62/633152062.db2.gz OKBBZJCGUQHDKS-VIFPVBQESA-N 0 0 267.275 3.423 20 10 CGCDRN COc1ccc(N(C)Cc2cn3ccccc3n2)cc1F ZINC000121749571 633258293 /nfs/dbraw/zinc/25/82/93/633258293.db2.gz ATJMKSKIIWNGOG-UHFFFAOYSA-N 0 0 285.322 3.118 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)CO ZINC000824629684 633266867 /nfs/dbraw/zinc/26/68/67/633266867.db2.gz CPJAEVZDJZAHNO-UHFFFAOYSA-N 0 0 292.206 3.149 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1C[C@H]1c1ccccc1)c1ccccc1O ZINC000868143893 633298858 /nfs/dbraw/zinc/29/88/58/633298858.db2.gz ZQFQJZXWSYUGHR-KCXAZCMYSA-N 0 0 296.370 3.309 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000868162236 633300131 /nfs/dbraw/zinc/30/01/31/633300131.db2.gz GCCYDGUQKLETKM-VXGBXAGGSA-N 0 0 299.296 3.287 20 10 CGCDRN CCn1ccnc1[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC000825005403 633316733 /nfs/dbraw/zinc/31/67/33/633316733.db2.gz JTKZIMZRDBGSHF-CYBMUJFWSA-N 0 0 273.380 3.071 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])c2nccn21 ZINC000825017584 633318434 /nfs/dbraw/zinc/31/84/34/633318434.db2.gz VLXFSQWKYFAPGD-CABZTGNLSA-N 0 0 277.755 3.038 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccn1C(C)C ZINC000122125072 633318992 /nfs/dbraw/zinc/31/89/92/633318992.db2.gz XWGIUGGOFZSDOJ-UHFFFAOYSA-N 0 0 299.418 3.373 20 10 CGCDRN COCCN(Cc1cccc(C)c1O)c1ccccc1 ZINC000825035078 633320025 /nfs/dbraw/zinc/32/00/25/633320025.db2.gz CSCHAXIXGFJGGM-UHFFFAOYSA-N 0 0 271.360 3.354 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134068 633331293 /nfs/dbraw/zinc/33/12/93/633331293.db2.gz ULJQRQYMEWSZSU-HNNXBMFYSA-N 0 0 299.773 3.187 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C(C)(C)C ZINC000868749253 633357846 /nfs/dbraw/zinc/35/78/46/633357846.db2.gz XLJXMKJDNBLDNV-WDEREUQCSA-N 0 0 264.369 3.187 20 10 CGCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H]1CCCC[C@@H]1C ZINC000825613140 633368079 /nfs/dbraw/zinc/36/80/79/633368079.db2.gz FHJFHQKYJUTEQZ-JQWIXIFHSA-N 0 0 267.394 3.495 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000825736769 633378986 /nfs/dbraw/zinc/37/89/86/633378986.db2.gz JCYFZVGGVFSSNG-YRGRVCCFSA-N 0 0 291.391 3.404 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C(C)(F)F ZINC000825873187 633384788 /nfs/dbraw/zinc/38/47/88/633384788.db2.gz HIDTYCVKRNKREL-UHFFFAOYSA-N 0 0 298.377 3.359 20 10 CGCDRN C/C(=C\C(=O)N1CCCc2c(C)cccc21)c1cnccn1 ZINC000825945073 633390503 /nfs/dbraw/zinc/39/05/03/633390503.db2.gz JPQWZDIMQLFVLS-SDNWHVSQSA-N 0 0 293.370 3.168 20 10 CGCDRN CCC[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844848161 635974566 /nfs/dbraw/zinc/97/45/66/635974566.db2.gz JXCAZCZMYWFHME-VIFPVBQESA-N 0 0 270.760 3.033 20 10 CGCDRN C[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1ccccc1O ZINC000827080970 633454568 /nfs/dbraw/zinc/45/45/68/633454568.db2.gz AAPGIWPIGXZCJK-MLGOLLRUSA-N 0 0 261.365 3.177 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000827177986 633468654 /nfs/dbraw/zinc/46/86/54/633468654.db2.gz FBRXYMQJZVRUHI-CABCVRRESA-N 0 0 289.762 3.314 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1(CO)CCC1 ZINC000827903746 633532637 /nfs/dbraw/zinc/53/26/37/633532637.db2.gz NRQBLOJFMRLVMM-UHFFFAOYSA-N 0 0 290.190 3.046 20 10 CGCDRN CCN(Cc1cccc(OC)c1O)c1cccc(O)c1 ZINC000827909482 633533408 /nfs/dbraw/zinc/53/34/08/633533408.db2.gz WHGPOHIJJOETJO-UHFFFAOYSA-N 0 0 273.332 3.133 20 10 CGCDRN C[C@@H](NC(=O)c1csc(C2CC2)n1)c1ccccc1O ZINC000827930325 633535364 /nfs/dbraw/zinc/53/53/64/633535364.db2.gz GOXCXTVARBJRDP-SECBINFHSA-N 0 0 288.372 3.217 20 10 CGCDRN C[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1ccccc1O ZINC000827937036 633536747 /nfs/dbraw/zinc/53/67/47/633536747.db2.gz ITRPLCGCXRPUCU-GFCCVEGCSA-N 0 0 299.345 3.440 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1O ZINC000827946907 633539180 /nfs/dbraw/zinc/53/91/80/633539180.db2.gz USUWANQPNOHLHY-UHOFOFEASA-N 0 0 281.355 3.373 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1O ZINC000827952360 633539914 /nfs/dbraw/zinc/53/99/14/633539914.db2.gz PGGLCUDIBMYRCU-XQHKEYJVSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCC12CC2)c1ccccc1O ZINC000827956851 633540137 /nfs/dbraw/zinc/54/01/37/633540137.db2.gz PICNTNKRAOWKNH-YPMHNXCESA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccccc1O ZINC000827957327 633540596 /nfs/dbraw/zinc/54/05/96/633540596.db2.gz TYBCYMOMIRWNQP-LEWSCRJBSA-N 0 0 287.384 3.435 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000827972878 633542593 /nfs/dbraw/zinc/54/25/93/633542593.db2.gz CAIBAFYORYQRLH-AGIUHOORSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)CCc1cccs1)c1ccccc1O ZINC000827986966 633544956 /nfs/dbraw/zinc/54/49/56/633544956.db2.gz UTIADHPHDPWYPU-NSHDSACASA-N 0 0 275.373 3.264 20 10 CGCDRN CCOc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827985481 633545112 /nfs/dbraw/zinc/54/51/12/633545112.db2.gz KCILTKAZGXXMOW-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN c1csc(SCc2nnc(C3CC3)s2)n1 ZINC000829100235 633692921 /nfs/dbraw/zinc/69/29/21/633692921.db2.gz OZLMIZQKXIASRC-UHFFFAOYSA-N 0 0 255.393 3.164 20 10 CGCDRN O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000871197972 633722851 /nfs/dbraw/zinc/72/28/51/633722851.db2.gz BYEFXAOFOMYPAN-GJZGRUSLSA-N 0 0 297.329 3.177 20 10 CGCDRN O=C(c1ccc2c(c1)CCC2)N1Cc2cccc(O)c2C1 ZINC000871199554 633722876 /nfs/dbraw/zinc/72/28/76/633722876.db2.gz RADSHRVHYCENPO-UHFFFAOYSA-N 0 0 279.339 3.037 20 10 CGCDRN CC1(C)CC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871204881 633724456 /nfs/dbraw/zinc/72/44/56/633724456.db2.gz RLSYNSHCIDHHFS-LLVKDONJSA-N 0 0 259.349 3.061 20 10 CGCDRN C[C@@H]1CC(C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)C1 ZINC000871205066 633725512 /nfs/dbraw/zinc/72/55/12/633725512.db2.gz VECKWTQAKCFBDJ-RYUDHWBXSA-N 0 0 273.376 3.307 20 10 CGCDRN O=C([C@H]1CCCC2(CC2)C1)N1Cc2cccc(O)c2C1 ZINC000871206276 633726627 /nfs/dbraw/zinc/72/66/27/633726627.db2.gz XXDVZLJPJUJXFN-LBPRGKRZSA-N 0 0 271.360 3.205 20 10 CGCDRN CC(C)c1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000830531243 633869296 /nfs/dbraw/zinc/86/92/96/633869296.db2.gz FVTIZRSTFSZVDI-UHFFFAOYSA-N 0 0 299.370 3.194 20 10 CGCDRN CC1(C)CC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830559136 633870839 /nfs/dbraw/zinc/87/08/39/633870839.db2.gz JQGOWFBMLITRDU-HNNXBMFYSA-N 0 0 287.403 3.323 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)N[C@H](C)C(C)C ZINC000871847535 633893777 /nfs/dbraw/zinc/89/37/77/633893777.db2.gz SUXKDPNTKSKJEY-CYBMUJFWSA-N 0 0 277.412 3.080 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H](CCC)C(=O)[O-])cc1C ZINC000871873148 633905082 /nfs/dbraw/zinc/90/50/82/633905082.db2.gz RYQDGNOQZCSHJF-CQSZACIVSA-N 0 0 279.380 3.127 20 10 CGCDRN CCC[C@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000831406170 633952869 /nfs/dbraw/zinc/95/28/69/633952869.db2.gz KZGWHHLUFKRGHS-BBRMVZONSA-N 0 0 274.408 3.239 20 10 CGCDRN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000872131834 634052516 /nfs/dbraw/zinc/05/25/16/634052516.db2.gz AHPXMJQKHBUEAW-WPRPVWTQSA-N 0 0 293.317 3.181 20 10 CGCDRN CCn1ncc(N[C@@H](C)c2cc(C)ccc2O)c1C ZINC000872136422 634060134 /nfs/dbraw/zinc/06/01/34/634060134.db2.gz FAIZXFPFQNRECR-NSHDSACASA-N 0 0 259.353 3.399 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1ccc(OC(F)F)nc1)CC2 ZINC000834794168 634243510 /nfs/dbraw/zinc/24/35/10/634243510.db2.gz PZQGSWVXJWUBAD-NSHDSACASA-N 0 0 292.285 3.488 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894950 634271720 /nfs/dbraw/zinc/27/17/20/634271720.db2.gz NEFDFPHMKSCKSZ-OUJBWJOFSA-N 0 0 275.327 3.084 20 10 CGCDRN CCn1ncc(NCc2c(O)cc(C)cc2Cl)c1C ZINC000873196329 634280994 /nfs/dbraw/zinc/28/09/94/634280994.db2.gz LBIUZEXKZXPEBZ-UHFFFAOYSA-N 0 0 279.771 3.491 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccc(F)cc1[O-] ZINC000834914485 634286661 /nfs/dbraw/zinc/28/66/61/634286661.db2.gz FUGURGVMLUHWRW-JKOKRWQUSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ccc2c(n1)N(C(=O)/C=C/c1cccnc1C)CCC2 ZINC000876487817 634844739 /nfs/dbraw/zinc/84/47/39/634844739.db2.gz XXFWRWHIITVYSV-MDZDMXLPSA-N 0 0 293.370 3.086 20 10 CGCDRN CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000837039248 634846176 /nfs/dbraw/zinc/84/61/76/634846176.db2.gz PBSIZIDJDWCVAG-QSYFUGGGSA-N 0 0 289.375 3.196 20 10 CGCDRN Cc1ccc(CNc2cc(C(=O)N(C)C)ccc2C)c(O)c1 ZINC000876842384 634914156 /nfs/dbraw/zinc/91/41/56/634914156.db2.gz ASSPVEBYMZFTHC-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN Cc1ccc(CNc2cccc3c2OCCO3)c(O)c1 ZINC000876873951 634917614 /nfs/dbraw/zinc/91/76/14/634917614.db2.gz WALKJYUIQUDJQP-UHFFFAOYSA-N 0 0 271.316 3.084 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000837543901 634931045 /nfs/dbraw/zinc/93/10/45/634931045.db2.gz YHAMCGGRJJLKOH-QWHCGFSZSA-N 0 0 274.408 3.366 20 10 CGCDRN O=C(OC[C@@H]1CCCCC1(F)F)c1cccc(O)c1O ZINC000837648930 634957921 /nfs/dbraw/zinc/95/79/21/634957921.db2.gz XSASECNPSUJKON-VIFPVBQESA-N 0 0 286.274 3.080 20 10 CGCDRN CN(C(=O)c1nc(C(C)(C)C)cs1)c1ccc(N)cc1 ZINC000877075338 634973302 /nfs/dbraw/zinc/97/33/02/634973302.db2.gz ABUXFMAOYQDBHD-UHFFFAOYSA-N 0 0 289.404 3.299 20 10 CGCDRN CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877075873 634973533 /nfs/dbraw/zinc/97/35/33/634973533.db2.gz QWFPQSFUMQCGAQ-MLGOLLRUSA-N 0 0 299.361 3.211 20 10 CGCDRN C[C@@H]1CCC[C@@H](CC(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078283 634975736 /nfs/dbraw/zinc/97/57/36/634975736.db2.gz KYZHZZOARDRDQG-CHWSQXEVSA-N 0 0 260.381 3.448 20 10 CGCDRN CC(C)OC1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877114741 634987901 /nfs/dbraw/zinc/98/79/01/634987901.db2.gz ZKYARCBSALZLKE-UHFFFAOYSA-N 0 0 299.361 3.496 20 10 CGCDRN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877122884 634991041 /nfs/dbraw/zinc/99/10/41/634991041.db2.gz BYJFADHLFQBWQL-WCQYABFASA-N 0 0 299.361 3.354 20 10 CGCDRN Cc1cccc(O)c1CNc1cnn([C@H](C)C2CC2)c1 ZINC000877425504 635038140 /nfs/dbraw/zinc/03/81/40/635038140.db2.gz CHJRNNNYWVMFJR-GFCCVEGCSA-N 0 0 271.364 3.480 20 10 CGCDRN Cc1cccc(O)c1CN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000877470129 635049599 /nfs/dbraw/zinc/04/95/99/635049599.db2.gz DCTRFSHKPIVKAT-NSHDSACASA-N 0 0 289.379 3.232 20 10 CGCDRN CC[N@H+](Cc1ccncc1)Cc1ccc(F)c(F)c1[O-] ZINC000877524385 635071671 /nfs/dbraw/zinc/07/16/71/635071671.db2.gz WGEUSBUWGKIKLM-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC[C@H]1CCO1 ZINC000877529687 635072902 /nfs/dbraw/zinc/07/29/02/635072902.db2.gz LEABVOGGVCSVGI-NSHDSACASA-N 0 0 290.190 3.358 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2csnn2)cc1 ZINC000840886259 635074169 /nfs/dbraw/zinc/07/41/69/635074169.db2.gz UBYIJSWGZQIZTM-NEPJUHHUSA-N 0 0 290.436 3.406 20 10 CGCDRN Cc1cc(CN(C)Cc2c(O)cc(C)cc2Cl)no1 ZINC000840909398 635080250 /nfs/dbraw/zinc/08/02/50/635080250.db2.gz AUQWAKNIBKLVBH-UHFFFAOYSA-N 0 0 280.755 3.282 20 10 CGCDRN Cc1cc(O)c(CN2CCOC3(CCC3)C2)c(Cl)c1 ZINC000840915490 635080987 /nfs/dbraw/zinc/08/09/87/635080987.db2.gz BQOVHNXNLFLRQQ-UHFFFAOYSA-N 0 0 281.783 3.109 20 10 CGCDRN O=C(/C=C/c1cccnc1)N1CCc2ccc(Cl)cc21 ZINC000121488382 635085967 /nfs/dbraw/zinc/08/59/67/635085967.db2.gz CPOQFJGFMRLDAY-ZZXKWVIFSA-N 0 0 284.746 3.338 20 10 CGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)O1 ZINC000840964932 635095327 /nfs/dbraw/zinc/09/53/27/635095327.db2.gz YHGZVLLDJAEAPW-OPRDCNLKSA-N 0 0 287.762 3.088 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc([C@H]3CCC(=O)N3)c2)c1 ZINC000840972010 635098265 /nfs/dbraw/zinc/09/82/65/635098265.db2.gz DUFBCFFIVIVECI-MRXNPFEDSA-N 0 0 296.370 3.264 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc(F)c1F ZINC000877603371 635107567 /nfs/dbraw/zinc/10/75/67/635107567.db2.gz LOZXKBQGUBNXSA-OCCSQVGLSA-N 0 0 297.345 3.061 20 10 CGCDRN COc1cccc2c1CC[C@H](Nc1ccc(N)cc1)C2 ZINC000841040868 635112001 /nfs/dbraw/zinc/11/20/01/635112001.db2.gz VWYITYRHVWHZND-HNNXBMFYSA-N 0 0 268.360 3.247 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cnn2c1CCCC2 ZINC000877692782 635147973 /nfs/dbraw/zinc/14/79/73/635147973.db2.gz UAENXVYEIILTBK-UHFFFAOYSA-N 0 0 284.407 3.206 20 10 CGCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC(C)(C)C1 ZINC000841296782 635148393 /nfs/dbraw/zinc/14/83/93/635148393.db2.gz YUFWTFCCZKEVQF-LLVKDONJSA-N 0 0 261.369 3.169 20 10 CGCDRN CCS[C@H]1CCCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300487 635150173 /nfs/dbraw/zinc/15/01/73/635150173.db2.gz QCPHZNGNYSMAIY-AWEZNQCLSA-N 0 0 293.436 3.408 20 10 CGCDRN Cc1sccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000841495889 635187550 /nfs/dbraw/zinc/18/75/50/635187550.db2.gz KPEKZGRUYUCRIQ-UXBLZVDNSA-N 0 0 281.427 3.420 20 10 CGCDRN Nc1ccc(CCNC(=O)NCCCC2CCCC2)cc1 ZINC000841698266 635214824 /nfs/dbraw/zinc/21/48/24/635214824.db2.gz DPENOKSSZSIABO-UHFFFAOYSA-N 0 0 289.423 3.081 20 10 CGCDRN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841746398 635222375 /nfs/dbraw/zinc/22/23/75/635222375.db2.gz GEIWCRFEVJSKFD-LLVKDONJSA-N 0 0 293.798 3.063 20 10 CGCDRN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755412 635228213 /nfs/dbraw/zinc/22/82/13/635228213.db2.gz PENOAKFDSMLSCQ-ZWNOBZJWSA-N 0 0 271.788 3.103 20 10 CGCDRN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754118 635229120 /nfs/dbraw/zinc/22/91/20/635229120.db2.gz ZEQSTLSOZHTJBO-VXGBXAGGSA-N 0 0 284.831 3.427 20 10 CGCDRN C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755564 635230322 /nfs/dbraw/zinc/23/03/22/635230322.db2.gz JHRAPQRTCKCWRW-GHMZBOCLSA-N 0 0 271.788 3.105 20 10 CGCDRN CCCN(CCC)c1ccc(C[NH2+]C[C@H](C)C(=O)[O-])cc1 ZINC000841803431 635236827 /nfs/dbraw/zinc/23/68/27/635236827.db2.gz UEZJFGIVUJOMIN-AWEZNQCLSA-N 0 0 292.423 3.123 20 10 CGCDRN CC[C@H](C)C[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842755616 635461862 /nfs/dbraw/zinc/46/18/62/635461862.db2.gz HNFOKYHBSKPTHS-VHSXEESVSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@@H](c1noc(Cc2ccc(N)cc2)n1)C(C)(C)C ZINC000843190354 635606105 /nfs/dbraw/zinc/60/61/05/635606105.db2.gz YOMOODULLNLTGZ-JTQLQIEISA-N 0 0 259.353 3.392 20 10 CGCDRN COc1ccc(CNC(=O)[C@H]2CCC(C)=C(C)C2)c(O)c1 ZINC000843874067 635791165 /nfs/dbraw/zinc/79/11/65/635791165.db2.gz BOSSMKLUPZVWNI-ZDUSSCGKSA-N 0 0 289.375 3.154 20 10 CGCDRN CN(CCC(C)(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000844011858 635807038 /nfs/dbraw/zinc/80/70/38/635807038.db2.gz DWFZQXCMHJHBKV-SOFGYWHQSA-N 0 0 277.364 3.006 20 10 CGCDRN Cc1coc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000879539639 635808064 /nfs/dbraw/zinc/80/80/64/635808064.db2.gz YMUYSMNPUUPNEL-LBPRGKRZSA-N 0 0 272.348 3.145 20 10 CGCDRN COc1ccc(N(C)CCCOC(C)(C)C)cc1 ZINC000844353368 635877609 /nfs/dbraw/zinc/87/76/09/635877609.db2.gz UKZYYNKLQHFSQH-UHFFFAOYSA-N 0 0 251.370 3.337 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)[C@H](C)c2ccccc2)cc1 ZINC000844356681 635878415 /nfs/dbraw/zinc/87/84/15/635878415.db2.gz VUOADRJSCKFZLH-KDOFPFPSSA-N 0 0 285.387 3.296 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C3CC3)s2)cc1 ZINC000844355185 635878887 /nfs/dbraw/zinc/87/88/87/635878887.db2.gz MLLJUHCKTSJWRY-UHFFFAOYSA-N 0 0 275.377 3.061 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=CCCCC1 ZINC000128327532 635968844 /nfs/dbraw/zinc/96/88/44/635968844.db2.gz OGQCIFNXQSRQQH-UHFFFAOYSA-N 0 0 272.392 3.178 20 10 CGCDRN COc1ccc(N(C)CCN(C)C(=O)CC(C)(C)C)cc1 ZINC000844853444 635975347 /nfs/dbraw/zinc/97/53/47/635975347.db2.gz XZFMTAGLHYBBPZ-UHFFFAOYSA-N 0 0 292.423 3.026 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NC(C1CC1)C1CC1 ZINC000844870191 635977077 /nfs/dbraw/zinc/97/70/77/635977077.db2.gz ZGMUKBXKAQZOOY-UHFFFAOYSA-N 0 0 294.782 3.033 20 10 CGCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844922430 635985203 /nfs/dbraw/zinc/98/52/03/635985203.db2.gz FAAVVYPVIZPAGO-ZJUUUORDSA-N 0 0 284.787 3.279 20 10 CGCDRN O=C(NCCCSc1nccs1)C(C1CC1)C1CC1 ZINC000128817633 636079322 /nfs/dbraw/zinc/07/93/22/636079322.db2.gz ONOVMBOMDPIUKW-UHFFFAOYSA-N 0 0 296.461 3.178 20 10 CGCDRN Cc1ccc(O)c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000846019588 636130617 /nfs/dbraw/zinc/13/06/17/636130617.db2.gz ZVWVDGSSGZVFBJ-PXAZEXFGSA-N 0 0 289.350 3.051 20 10 CGCDRN CSc1cccnc1NCc1ccc(N(C)C)cc1 ZINC000846061175 636140380 /nfs/dbraw/zinc/14/03/80/636140380.db2.gz HBBVJIXFWUJLOT-UHFFFAOYSA-N 0 0 273.405 3.482 20 10 CGCDRN CC(C)(C)OC(=O)N1CCCCN1Cc1ccccc1O ZINC000846069463 636141596 /nfs/dbraw/zinc/14/15/96/636141596.db2.gz IHTLJGFEGMRMSI-UHFFFAOYSA-N 0 0 292.379 3.140 20 10 CGCDRN CC[C@@H](Nc1cc(COC)ccn1)c1ccccc1O ZINC000846117914 636146559 /nfs/dbraw/zinc/14/65/59/636146559.db2.gz RIRIGEABTRQFSZ-CQSZACIVSA-N 0 0 272.348 3.497 20 10 CGCDRN CC[C@H](N[C@H](C)c1cccc(OC)c1O)C(F)F ZINC000846170461 636152882 /nfs/dbraw/zinc/15/28/82/636152882.db2.gz OCEUAIMTUZJYAV-SCZZXKLOSA-N 0 0 259.296 3.095 20 10 CGCDRN CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000846199150 636157559 /nfs/dbraw/zinc/15/75/59/636157559.db2.gz BECMDOMQBSQOSE-OWYVNGRQSA-N 0 0 285.334 3.279 20 10 CGCDRN CC/C=C(\C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473641 636187262 /nfs/dbraw/zinc/18/72/62/636187262.db2.gz VFCSVLHIPVAHPP-RUDMXATFSA-N 0 0 253.729 3.018 20 10 CGCDRN CC[C@@H](C)CCC(=O)NCc1cc(Cl)ccc1O ZINC000846475737 636188763 /nfs/dbraw/zinc/18/87/63/636188763.db2.gz HCQCRSWGKRJBHT-SNVBAGLBSA-N 0 0 269.772 3.488 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846477708 636188768 /nfs/dbraw/zinc/18/87/68/636188768.db2.gz VLLHXAVIQSETRS-MFKMUULPSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C(F)=C1CCCC1 ZINC000846475761 636188821 /nfs/dbraw/zinc/18/88/21/636188821.db2.gz IKJGOWXPTBASNJ-UHFFFAOYSA-N 0 0 283.730 3.459 20 10 CGCDRN CCC(CC)CC(=O)NCc1cc(Cl)ccc1O ZINC000846478069 636188958 /nfs/dbraw/zinc/18/89/58/636188958.db2.gz YYUJAQPPDAKJCL-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN CCC/C=C\C(=O)NCc1cc(Cl)ccc1O ZINC000846481219 636189805 /nfs/dbraw/zinc/18/98/05/636189805.db2.gz ZVYNISSDDDGGRJ-PLNGDYQASA-N 0 0 253.729 3.018 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cccc2c1CCCN2 ZINC000130195210 636430186 /nfs/dbraw/zinc/43/01/86/636430186.db2.gz KDPQRXGBFHXGAS-UHFFFAOYSA-N 0 0 296.370 3.023 20 10 CGCDRN COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(C)o1 ZINC000883027213 636511941 /nfs/dbraw/zinc/51/19/41/636511941.db2.gz SYBWMLPEROOVQT-CYBMUJFWSA-N 0 0 297.301 3.049 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000883147263 636556193 /nfs/dbraw/zinc/55/61/93/636556193.db2.gz QDGNXZKZTKMDIT-LLVKDONJSA-N 0 0 299.386 3.293 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000883195920 636578896 /nfs/dbraw/zinc/57/88/96/636578896.db2.gz FZZUXGLUXJFIDR-HUUCEWRRSA-N 0 0 297.345 3.108 20 10 CGCDRN CC(C)OC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883203325 636582456 /nfs/dbraw/zinc/58/24/56/636582456.db2.gz YZDNEZWSPMQVPV-UHFFFAOYSA-N 0 0 285.334 3.108 20 10 CGCDRN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)ccc1O ZINC000131482549 636666674 /nfs/dbraw/zinc/66/66/74/636666674.db2.gz MEBLWDZYHGNHGP-GXFFZTMASA-N 0 0 269.772 3.045 20 10 CGCDRN CCc1cccc(CNc2c(C)nn(CC)c2C)c1O ZINC000848901531 636681636 /nfs/dbraw/zinc/68/16/36/636681636.db2.gz VBOYWUDJJGXSAD-UHFFFAOYSA-N 0 0 273.380 3.400 20 10 CGCDRN Cc1cc(O)c(CNc2nn(C)cc2Cl)c(Cl)c1 ZINC000883373068 636713389 /nfs/dbraw/zinc/71/33/89/636713389.db2.gz ZARDMCHQKAOZJR-UHFFFAOYSA-N 0 0 286.162 3.353 20 10 CGCDRN COCC[N@@H+](Cc1cc(Cl)ccc1O)CC(C)C ZINC000132641219 636827492 /nfs/dbraw/zinc/82/74/92/636827492.db2.gz VAOAXPULZKKKOG-UHFFFAOYSA-N 0 0 271.788 3.150 20 10 CGCDRN O=C(NCc1ccccc1O)NCC1CCC(F)(F)CC1 ZINC000800024873 636906224 /nfs/dbraw/zinc/90/62/24/636906224.db2.gz SZNJCRYXLSIKJL-UHFFFAOYSA-N 0 0 298.333 3.017 20 10 CGCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)NC(C)(C)C ZINC000849999407 636924235 /nfs/dbraw/zinc/92/42/35/636924235.db2.gz QVDMJCHUHFYPMK-LURJTMIESA-N 0 0 278.830 3.192 20 10 CGCDRN Cc1nnc([C@H](C)Sc2ncc(Cl)s2)[nH]1 ZINC000850001966 636926257 /nfs/dbraw/zinc/92/62/57/636926257.db2.gz QEPTZLRUUIBPHF-BYPYZUCNSA-N 0 0 260.775 3.076 20 10 CGCDRN C[C@H](CC(=O)NCc1ccccc1O)CC(C)(C)C ZINC000133752381 636973737 /nfs/dbraw/zinc/97/37/37/636973737.db2.gz XNFBBTHXFBSTAN-GFCCVEGCSA-N 0 0 263.381 3.471 20 10 CGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1 ZINC000133907947 636987433 /nfs/dbraw/zinc/98/74/33/636987433.db2.gz ZIGLRBYYUAJIPL-UHFFFAOYSA-N 0 0 293.370 3.385 20 10 CGCDRN COC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000135233173 637098192 /nfs/dbraw/zinc/09/81/92/637098192.db2.gz VGIJLXQAOGZSEH-UHFFFAOYSA-N 0 0 278.179 3.214 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2(CC(C)C)CC2)c1 ZINC000850567276 637126770 /nfs/dbraw/zinc/12/67/70/637126770.db2.gz ZOEFAKGPDXFKBT-GFCCVEGCSA-N 0 0 291.391 3.408 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2CCS[C@H](C)[C@@H]2C)c1O ZINC000135834731 637190900 /nfs/dbraw/zinc/19/09/00/637190900.db2.gz NVWHNTOZZWVDEJ-GXSJLCMTSA-N 0 0 297.395 3.060 20 10 CGCDRN Cc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1C ZINC000109768927 637266305 /nfs/dbraw/zinc/26/63/05/637266305.db2.gz FXSYVZYLYQKYPG-UHFFFAOYSA-N 0 0 298.386 3.080 20 10 CGCDRN C[C@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccccc1O ZINC000109772682 637267383 /nfs/dbraw/zinc/26/73/83/637267383.db2.gz OSCSGPKAFMEQHK-LLVKDONJSA-N 0 0 289.379 3.266 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2C[C@]23CCOC3)cc1Cl ZINC000886040425 637380051 /nfs/dbraw/zinc/38/00/51/637380051.db2.gz YWMFNIZLIDNHJC-NHYWBVRUSA-N 0 0 281.783 3.211 20 10 CGCDRN Cc1cccc2c1CCC[C@H]2NC(=O)Cc1ccc(N)cc1 ZINC000851647577 637464996 /nfs/dbraw/zinc/46/49/96/637464996.db2.gz NSSSSSLPGXEWJQ-GOSISDBHSA-N 0 0 294.398 3.314 20 10 CGCDRN CCC(CC)CCCN(C)C(=O)Cc1ccc(N)cc1 ZINC000851647955 637466084 /nfs/dbraw/zinc/46/60/84/637466084.db2.gz QRVVDFBHGZZXSM-UHFFFAOYSA-N 0 0 276.424 3.486 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc2c1OCO2)c1c([O-])cccc1F ZINC000886508564 637544474 /nfs/dbraw/zinc/54/44/74/637544474.db2.gz FMPCUPIADIHCIF-JTQLQIEISA-N 0 0 289.306 3.111 20 10 CGCDRN C[C@H]([NH2+]CCSC(F)(F)F)c1c([O-])cccc1F ZINC000886508619 637544968 /nfs/dbraw/zinc/54/49/68/637544968.db2.gz HNSMSOBCFUBGOM-ZETCQYMHSA-N 0 0 283.290 3.435 20 10 CGCDRN CCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886534798 637560056 /nfs/dbraw/zinc/56/00/56/637560056.db2.gz OSDJNJADMVULOW-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1c([O-])cccc1F ZINC000886538505 637564352 /nfs/dbraw/zinc/56/43/52/637564352.db2.gz JFEHGOZDGFKVCD-IINYFYTJSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886547281 637575136 /nfs/dbraw/zinc/57/51/36/637575136.db2.gz IMWMFDXNLYQMAU-IINYFYTJSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+]CCSCC(F)(F)F)c1c([O-])cccc1F ZINC000886560421 637581900 /nfs/dbraw/zinc/58/19/00/637581900.db2.gz YYHZOQJZDMKYSY-MRVPVSSYSA-N 0 0 297.317 3.477 20 10 CGCDRN COC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCCC1 ZINC000886615824 637608741 /nfs/dbraw/zinc/60/87/41/637608741.db2.gz ORMLHLRNGPXMFK-NSHDSACASA-N 0 0 267.344 3.141 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886621873 637613050 /nfs/dbraw/zinc/61/30/50/637613050.db2.gz DULSIIOYWVLIFE-MNOVXSKESA-N 0 0 277.343 3.160 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1c([O-])cccc1F ZINC000886625530 637616478 /nfs/dbraw/zinc/61/64/78/637616478.db2.gz UEPSMBAMZJPEHB-LLVKDONJSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)CC(F)F ZINC000886629657 637617958 /nfs/dbraw/zinc/61/79/58/637617958.db2.gz KSZUAROZKUJAMH-RKDXNWHRSA-N 0 0 261.287 3.473 20 10 CGCDRN CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886636112 637621819 /nfs/dbraw/zinc/62/18/19/637621819.db2.gz GKMPGFYQVGARAK-AAEUAGOBSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886640328 637624843 /nfs/dbraw/zinc/62/48/43/637624843.db2.gz WTTKSDSQPLJBBI-XWCIJXRUSA-N 0 0 289.350 3.304 20 10 CGCDRN Nc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1 ZINC000852790015 637713617 /nfs/dbraw/zinc/71/36/17/637713617.db2.gz JCOUYFDONYUGLY-KBPBESRZSA-N 0 0 258.365 3.424 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2CC3(CCC3)OC[C@@H]2C)cc1C ZINC000853543070 637865249 /nfs/dbraw/zinc/86/52/49/637865249.db2.gz ZPYUJIXVQIGXEG-AWEZNQCLSA-N 0 0 275.392 3.152 20 10 CGCDRN CC[C@@H](NC(=O)NCCCSc1nccs1)C1CC1 ZINC000853857510 637942263 /nfs/dbraw/zinc/94/22/63/637942263.db2.gz FEMDWGWLPMTHCI-LLVKDONJSA-N 0 0 299.465 3.113 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC2(C)C)cc1 ZINC000854324938 638042933 /nfs/dbraw/zinc/04/29/33/638042933.db2.gz TVSZYTZEQRVSQI-HNNXBMFYSA-N 0 0 274.408 3.147 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCC2(CCCC2)CC1 ZINC000855363557 638174619 /nfs/dbraw/zinc/17/46/19/638174619.db2.gz ACJCFFMVNJEKBX-UHFFFAOYSA-N 0 0 289.375 3.284 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)C1CCC(F)CC1 ZINC000856080496 638296644 /nfs/dbraw/zinc/29/66/44/638296644.db2.gz JLSZIFGNBIYKID-XNWIYYODSA-N 0 0 271.357 3.100 20 10 CGCDRN C[C@@H]1c2ccccc2OCCN1C(=O)C1=CC(=O)CS1 ZINC000856484477 638365547 /nfs/dbraw/zinc/36/55/47/638365547.db2.gz PMLUNPINGZEBCJ-SNVBAGLBSA-N 0 0 289.356 3.050 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@@H](C)CC(C)C)c1 ZINC000114542418 638375871 /nfs/dbraw/zinc/37/58/71/638375871.db2.gz PFLAQGAKDUNCND-LBPRGKRZSA-N 0 0 279.380 3.089 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000857060313 638447699 /nfs/dbraw/zinc/44/76/99/638447699.db2.gz PTJGVLUYJBZBSB-MRVPVSSYSA-N 0 0 279.689 3.320 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000115279678 638513355 /nfs/dbraw/zinc/51/33/55/638513355.db2.gz OGOSGKUYCYJOIR-UHFFFAOYSA-N 0 0 288.416 3.361 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000858095175 638625842 /nfs/dbraw/zinc/62/58/42/638625842.db2.gz MGZPZJAGJSFAHD-JSGCOSHPSA-N 0 0 276.380 3.079 20 10 CGCDRN CN(C)c1cc(F)c(C[NH2+]Cc2ccsc2)cc1F ZINC000858097486 638627199 /nfs/dbraw/zinc/62/71/99/638627199.db2.gz OCHRUFHBPDUKEF-UHFFFAOYSA-N 0 0 282.359 3.382 20 10 CGCDRN CC(C)n1ccc(NCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858161725 638647277 /nfs/dbraw/zinc/64/72/77/638647277.db2.gz XQQCMKNHXVVPJW-UHFFFAOYSA-N 0 0 294.349 3.420 20 10 CGCDRN CC[C@H](Nc1cnc(OC)c(OC)c1)c1ccccc1O ZINC000858482690 638736651 /nfs/dbraw/zinc/73/66/51/638736651.db2.gz SPSUYKNJGWTJGE-ZDUSSCGKSA-N 0 0 288.347 3.368 20 10 CGCDRN CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000858485995 638737842 /nfs/dbraw/zinc/73/78/42/638737842.db2.gz RKRMBOUAOHQXGW-CMPLNLGQSA-N 0 0 287.350 3.118 20 10 CGCDRN CC[C@@H](Nc1cnn(CCF)c1)c1ccc(F)cc1O ZINC000858492225 638742628 /nfs/dbraw/zinc/74/26/28/638742628.db2.gz UXKPOUTZILIGIG-CYBMUJFWSA-N 0 0 281.306 3.261 20 10 CGCDRN CCCCS[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928712661 638889755 /nfs/dbraw/zinc/88/97/55/638889755.db2.gz VOUPTZHXTJJRIX-JTQLQIEISA-N 0 0 285.384 3.069 20 10 CGCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000929402167 638923911 /nfs/dbraw/zinc/92/39/11/638923911.db2.gz BIJAHAIAZPZVOP-DNNBLBMLSA-N 0 0 286.419 3.051 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC000929403683 638924054 /nfs/dbraw/zinc/92/40/54/638924054.db2.gz JELJOVQJSYZEND-PHZGNYQRSA-N 0 0 286.419 3.195 20 10 CGCDRN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858592579 638999038 /nfs/dbraw/zinc/99/90/38/638999038.db2.gz GJPJMWJWDIWENQ-FOGDFJRCSA-N 0 0 269.772 3.121 20 10 CGCDRN CCO[C@@H](CN(C)c1ccc(OC)c(F)c1)C1CC1 ZINC000859163793 639095689 /nfs/dbraw/zinc/09/56/89/639095689.db2.gz QZLKNUYMEDEROE-HNNXBMFYSA-N 0 0 267.344 3.086 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCC12CC2 ZINC000859421106 639139281 /nfs/dbraw/zinc/13/92/81/639139281.db2.gz LMFOBIMTEQPZOC-MRXNPFEDSA-N 0 0 286.419 3.258 20 10 CGCDRN C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(N)cc1 ZINC000042782166 639921013 /nfs/dbraw/zinc/92/10/13/639921013.db2.gz UXMHLMWGGUSVSF-JTQLQIEISA-N 0 0 287.388 3.482 20 10 CGCDRN CC(C)[C@@H](Sc1nccs1)C(=O)NC1CCCC1 ZINC000048876012 640074737 /nfs/dbraw/zinc/07/47/37/640074737.db2.gz DVQSCCFOCHHRQV-LLVKDONJSA-N 0 0 284.450 3.319 20 10 CGCDRN CS[C@H](C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000191466828 640312804 /nfs/dbraw/zinc/31/28/04/640312804.db2.gz BFIFMQFBAFTAMY-SSDOTTSWSA-N 0 0 263.765 3.026 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cccc2c1CCC2 ZINC000194378165 640529413 /nfs/dbraw/zinc/52/94/13/640529413.db2.gz QULOZDCBAWXKRM-UHFFFAOYSA-N 0 0 281.355 3.153 20 10 CGCDRN CCC(CC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000081779256 640552317 /nfs/dbraw/zinc/55/23/17/640552317.db2.gz PFDSEVUEHGNLKR-SNVBAGLBSA-N 0 0 265.353 3.014 20 10 CGCDRN CCC(CC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000081791846 640553178 /nfs/dbraw/zinc/55/31/78/640553178.db2.gz QXORUIOKUCKZLH-UHFFFAOYSA-N 0 0 275.392 3.323 20 10 CGCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000248527071 640766980 /nfs/dbraw/zinc/76/69/80/640766980.db2.gz VJKNOLVADFGLAO-UEKVPHQBSA-N 0 0 293.338 3.287 20 10 CGCDRN CC(C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000098076230 640895110 /nfs/dbraw/zinc/89/51/10/640895110.db2.gz XNOBDTHKQXBKQN-UHFFFAOYSA-N 0 0 273.332 3.170 20 10 CGCDRN O=C1c2nc(-c3ccco3)sc2C(=O)c2ccccc21 ZINC000000007341 640913550 /nfs/dbraw/zinc/91/35/50/640913550.db2.gz VJKZUTFFMNSTTD-UHFFFAOYSA-N 0 0 281.292 3.179 20 10 CGCDRN Cc1cccc(CC[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000280739331 641035642 /nfs/dbraw/zinc/03/56/42/641035642.db2.gz ZNWUYMOYTOGQHX-UHFFFAOYSA-N 0 0 276.767 3.081 20 10 CGCDRN Oc1ccc(-c2nc3c([nH]2)c(F)c(F)c(F)c3F)cc1O ZINC001250464756 805632691 /nfs/dbraw/zinc/63/26/91/805632691.db2.gz KXCDKVDMFRNMFC-UHFFFAOYSA-N 0 0 298.195 3.198 20 10 CGCDRN COc1ccc2nc(-c3ccc(O)c(O)c3)n(C3CC3)c2c1 ZINC001250464857 805632801 /nfs/dbraw/zinc/63/28/01/805632801.db2.gz ODNLAJOYVVIMTD-UHFFFAOYSA-N 0 0 296.326 3.458 20 10 CGCDRN Cc1nc(Cl)cnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156921013 805752865 /nfs/dbraw/zinc/75/28/65/805752865.db2.gz OQRIQEIAKOABRZ-UHFFFAOYSA-N 0 0 290.798 3.141 20 10 CGCDRN Oc1cc(O)c(-c2nc3cc(C(F)F)ccc3[nH]2)cc1O ZINC001251358678 805887215 /nfs/dbraw/zinc/88/72/15/805887215.db2.gz ODZXVWVQILIECY-UHFFFAOYSA-N 0 0 292.241 3.284 20 10 CGCDRN Oc1ccc(CNc2cc(Cl)nc(C3CC3)n2)cc1O ZINC001158994789 806029006 /nfs/dbraw/zinc/02/90/06/806029006.db2.gz WARXMJKFYBORPT-UHFFFAOYSA-N 0 0 291.738 3.031 20 10 CGCDRN CCCSc1cncc(NCc2ccc(O)c(O)c2)n1 ZINC001158997415 806029234 /nfs/dbraw/zinc/02/92/34/806029234.db2.gz HFFPKRYOSUXUHO-UHFFFAOYSA-N 0 0 291.376 3.002 20 10 CGCDRN Oc1ccc(CNc2cc3ccc(F)cc3cn2)cc1O ZINC001158997621 806029625 /nfs/dbraw/zinc/02/96/25/806029625.db2.gz MLDLPLZVENXAHW-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN CCc1nc(NCc2ccc(O)c(O)c2)c(Cl)nc1C ZINC001159005476 806029964 /nfs/dbraw/zinc/02/99/64/806029964.db2.gz MFLLSYZDONDOEU-UHFFFAOYSA-N 0 0 293.754 3.024 20 10 CGCDRN COc1ccc(C(=O)c2ccccc2NCC(C)(C)O)cc1 ZINC001252362177 806042812 /nfs/dbraw/zinc/04/28/12/806042812.db2.gz FFSXRJHXMSEOTL-UHFFFAOYSA-N 0 0 299.370 3.109 20 10 CGCDRN COC(=O)c1ccc(Nc2ccc(N)cc2)cc1C ZINC001159430884 806101613 /nfs/dbraw/zinc/10/16/13/806101613.db2.gz KGBYLJLOSDYUIX-UHFFFAOYSA-N 0 0 256.305 3.107 20 10 CGCDRN CCOC(=O)c1ccc(Nc2ccc(N)cc2)c(C)c1 ZINC001159450726 806105066 /nfs/dbraw/zinc/10/50/66/806105066.db2.gz NPPSNEKSDKMMET-UHFFFAOYSA-N 0 0 270.332 3.498 20 10 CGCDRN COC(=O)c1c(F)ccc(F)c1Nc1ccc(N)cc1 ZINC001159703695 806154920 /nfs/dbraw/zinc/15/49/20/806154920.db2.gz MWMVOIVUPFAAPR-UHFFFAOYSA-N 0 0 278.258 3.077 20 10 CGCDRN Cc1cc(C)c(CNc2cc(C3CC3)ncn2)c(O)c1 ZINC001160811733 806307118 /nfs/dbraw/zinc/30/71/18/806307118.db2.gz VCIFYEBUHIOVLO-UHFFFAOYSA-N 0 0 269.348 3.289 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NCc2nccn2C)cc1 ZINC001161915087 806483077 /nfs/dbraw/zinc/48/30/77/806483077.db2.gz DYFKPPZBHPYAHB-UHFFFAOYSA-N 0 0 280.375 3.440 20 10 CGCDRN Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cnn1C ZINC001254721673 806487211 /nfs/dbraw/zinc/48/72/11/806487211.db2.gz UGUGLBJWKCMLSS-IUCAKERBSA-N 0 0 295.333 3.124 20 10 CGCDRN Cc1nc2ccsc2c(NCc2ccc(N)cc2)n1 ZINC001162784769 806664587 /nfs/dbraw/zinc/66/45/87/806664587.db2.gz WITRZISBCXDHBE-UHFFFAOYSA-N 0 0 270.361 3.194 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000037322460 798866622 /nfs/dbraw/zinc/86/66/22/798866622.db2.gz GQLIHQRCBJGGJZ-PHIMTYICSA-N 0 0 279.355 3.212 20 10 CGCDRN CCOc1cccc(-c2noc(-c3ccc(O)c(O)c3)n2)c1 ZINC000318174378 799245778 /nfs/dbraw/zinc/24/57/78/799245778.db2.gz BFUKVORYKYSERM-UHFFFAOYSA-N 0 0 298.298 3.214 20 10 CGCDRN C[C@@H](NCC(C)(F)F)c1cc(Br)ccc1O ZINC000382145476 799392675 /nfs/dbraw/zinc/39/26/75/799392675.db2.gz NRSPRNIODLENDH-SSDOTTSWSA-N 0 0 294.139 3.461 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCC1(C)C ZINC000383958744 799409712 /nfs/dbraw/zinc/40/97/12/799409712.db2.gz OKQKBIYYIXHUOH-CYBMUJFWSA-N 0 0 261.365 3.177 20 10 CGCDRN CC1(C2([NH2+]Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000398131755 799527280 /nfs/dbraw/zinc/52/72/80/799527280.db2.gz KMIIHDZXQKWPEL-UHFFFAOYSA-N 0 0 251.757 3.468 20 10 CGCDRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccc(F)cc1O ZINC000398189917 799528246 /nfs/dbraw/zinc/52/82/46/799528246.db2.gz MFDRBXRHJJHOIR-QPUJVOFHSA-N 0 0 259.271 3.370 20 10 CGCDRN CO[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000687211537 799737486 /nfs/dbraw/zinc/73/74/86/799737486.db2.gz BMARRNBRASVNIR-CMPLNLGQSA-N 0 0 269.772 3.045 20 10 CGCDRN Cc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])o1 ZINC000689803909 799768958 /nfs/dbraw/zinc/76/89/58/799768958.db2.gz AYYQUWLLMBCJRZ-LLVKDONJSA-N 0 0 263.312 3.326 20 10 CGCDRN CCSC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000691855810 799787596 /nfs/dbraw/zinc/78/75/96/799787596.db2.gz QFBONPFKOAAEFB-UHFFFAOYSA-N 0 0 271.813 3.421 20 10 CGCDRN C[C@H]([NH2+]CCC1SCCS1)c1ccc(F)cc1[O-] ZINC000693780764 799814848 /nfs/dbraw/zinc/81/48/48/799814848.db2.gz STBRQSJPTJRIRD-VIFPVBQESA-N 0 0 287.425 3.378 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)cc(C)c1F ZINC000702161519 799903606 /nfs/dbraw/zinc/90/36/06/799903606.db2.gz YEFRFCFSITUSSP-UHFFFAOYSA-N 0 0 273.307 3.078 20 10 CGCDRN C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703296150 799921157 /nfs/dbraw/zinc/92/11/57/799921157.db2.gz QPEYWMBPLYNTBK-VIFPVBQESA-N 0 0 283.343 3.453 20 10 CGCDRN C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703295652 799921709 /nfs/dbraw/zinc/92/17/09/799921709.db2.gz XTNOLSIXMRVQMK-SECBINFHSA-N 0 0 283.343 3.453 20 10 CGCDRN CCC(NC(=O)Nc1ccc(N)cc1)(C1CC1)C1CC1 ZINC000704669849 799938801 /nfs/dbraw/zinc/93/88/01/799938801.db2.gz RMZCXLBCZCQJBC-UHFFFAOYSA-N 0 0 273.380 3.359 20 10 CGCDRN CC(C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708137367 799983575 /nfs/dbraw/zinc/98/35/75/799983575.db2.gz AZYBQTXZGHYXFB-UHFFFAOYSA-N 0 0 278.577 3.306 20 10 CGCDRN Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708481245 799990306 /nfs/dbraw/zinc/99/03/06/799990306.db2.gz PKCPOTVSZDYYTJ-SSDOTTSWSA-N 0 0 282.290 3.126 20 10 CGCDRN CCSC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708553291 799991858 /nfs/dbraw/zinc/99/18/58/799991858.db2.gz BAAQVWREXPPAGE-UHFFFAOYSA-N 0 0 273.348 3.046 20 10 CGCDRN C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715718477 800144456 /nfs/dbraw/zinc/14/44/56/800144456.db2.gz NVRLCQULVYVCTE-RDDDGLTNSA-N 0 0 288.160 3.182 20 10 CGCDRN CCCCCc1nnc(/C=C/c2ccc(O)c(O)c2)o1 ZINC001256088552 806817656 /nfs/dbraw/zinc/81/76/56/806817656.db2.gz BXYKLMSGPCRBPQ-VQHVLOKHSA-N 0 0 274.320 3.384 20 10 CGCDRN COCCOC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000809490668 800440554 /nfs/dbraw/zinc/44/05/54/800440554.db2.gz ZMYHEKXRNYWIHM-UHFFFAOYSA-N 0 0 287.359 3.206 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccns1 ZINC000886643276 800545558 /nfs/dbraw/zinc/54/55/58/800545558.db2.gz PXHBGOJQTHTYGK-BDAKNGLRSA-N 0 0 266.341 3.400 20 10 CGCDRN CCCCCCc1nnc(Cc2ccc(O)c(O)c2)o1 ZINC001256348958 806862387 /nfs/dbraw/zinc/86/23/87/806862387.db2.gz ZLDBWNCMVTZQDD-UHFFFAOYSA-N 0 0 276.336 3.194 20 10 CGCDRN Cc1nc(Cl)cc(NCc2cccc(Cl)c2O)n1 ZINC001164341302 806936063 /nfs/dbraw/zinc/93/60/63/806936063.db2.gz FNYUOKZZBMICPF-UHFFFAOYSA-N 0 0 284.146 3.410 20 10 CGCDRN Cc1cnc(C)nc1NCc1ccc2c(c1)CCCN2C ZINC001118395714 802560166 /nfs/dbraw/zinc/56/01/66/802560166.db2.gz UGOBBLBPRTWOAY-UHFFFAOYSA-N 0 0 282.391 3.088 20 10 CGCDRN C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc(F)cc1[O-] ZINC001118493759 802576717 /nfs/dbraw/zinc/57/67/17/802576717.db2.gz VOWDHNJFSLVIDY-LUHBLDKBSA-N 0 0 271.282 3.370 20 10 CGCDRN Nc1ccc(N(CCO)c2ccccc2OC(F)F)cc1 ZINC001176010949 809602214 /nfs/dbraw/zinc/60/22/14/809602214.db2.gz HOXVDMXSOVGZFV-UHFFFAOYSA-N 0 0 294.301 3.001 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C23CC(C2)C3)cc1F ZINC001118878339 802614120 /nfs/dbraw/zinc/61/41/20/802614120.db2.gz ZTSIZRQFDBYWDJ-UHFFFAOYSA-N 0 0 290.382 3.088 20 10 CGCDRN CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508259 802674006 /nfs/dbraw/zinc/67/40/06/802674006.db2.gz YKCDYDKNKBLYKE-NWDGAFQWSA-N 0 0 287.375 3.386 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)c1cccc3c1CCN3)CC2 ZINC001121862826 802848498 /nfs/dbraw/zinc/84/84/98/802848498.db2.gz RFDRXCMSNVGAPY-UHFFFAOYSA-N 0 0 278.355 3.166 20 10 CGCDRN Cn1ccc2c1ncnc2-c1ccc(CC(F)(F)F)nc1 ZINC001244290326 803280802 /nfs/dbraw/zinc/28/08/02/803280802.db2.gz YTOHXCMKOJNGGZ-UHFFFAOYSA-N 0 0 292.264 3.135 20 10 CGCDRN CC[C@@H](F)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132267818 803388501 /nfs/dbraw/zinc/38/85/01/803388501.db2.gz OIJWFWMPYFJGGZ-MRXNPFEDSA-N 0 0 288.366 3.458 20 10 CGCDRN CC[N@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1O ZINC001137310862 803712321 /nfs/dbraw/zinc/71/23/21/803712321.db2.gz VFGQROBHQIWWTP-UHFFFAOYSA-N 0 0 295.386 3.370 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])CCC1(F)F ZINC001138122602 803860670 /nfs/dbraw/zinc/86/06/70/803860670.db2.gz PJMNTCJQMLQJIB-SNVBAGLBSA-N 0 0 273.298 3.399 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C ZINC001138122585 803860868 /nfs/dbraw/zinc/86/08/68/803860868.db2.gz ONJWDXDVPDNHMH-VXGBXAGGSA-N 0 0 251.345 3.399 20 10 CGCDRN CCN(CC)c1ccc(C[N@H+](C)CCSC)c(OC)c1 ZINC001138392176 803912732 /nfs/dbraw/zinc/91/27/32/803912732.db2.gz SXMSEYYRAMGUNH-UHFFFAOYSA-N 0 0 296.480 3.336 20 10 CGCDRN CCN(CC)c1ccc(CN2CC(C(F)F)C2)c(OC)c1 ZINC001138392091 803913042 /nfs/dbraw/zinc/91/30/42/803913042.db2.gz PVKGLYFMQVWUDT-UHFFFAOYSA-N 0 0 298.377 3.238 20 10 CGCDRN CSc1cnc(F)c(-c2ccnc3c2ccn3C)c1 ZINC001245763123 803949564 /nfs/dbraw/zinc/94/95/64/803949564.db2.gz PGBLOUSFNWXUEY-UHFFFAOYSA-N 0 0 273.336 3.496 20 10 CGCDRN COCC[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139682635 804249853 /nfs/dbraw/zinc/24/98/53/804249853.db2.gz AAPRYACAJXZOGN-LLVKDONJSA-N 0 0 285.334 3.061 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC2CCC1CC2 ZINC001139682694 804252712 /nfs/dbraw/zinc/25/27/12/804252712.db2.gz BCYROYZKZKEASW-UHFFFAOYSA-N 0 0 253.292 3.045 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCC[C@@H]1c1ncccn1 ZINC001140468845 804443752 /nfs/dbraw/zinc/44/37/52/804443752.db2.gz ZTRJUEAADZUEKS-CYBMUJFWSA-N 0 0 289.766 3.173 20 10 CGCDRN Oc1cccc2c1CN(Cc1c(F)cc(F)cc1F)CC2 ZINC001140536152 804454917 /nfs/dbraw/zinc/45/49/17/804454917.db2.gz NNOXMRYCKFFPKR-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140579862 804466756 /nfs/dbraw/zinc/46/67/56/804466756.db2.gz JLDJVYBIQJHXQP-AOOOYVTPSA-N 0 0 255.308 3.433 20 10 CGCDRN Cc1snnc1-c1nc(-c2cccc3ccoc32)no1 ZINC001212405398 815020233 /nfs/dbraw/zinc/02/02/33/815020233.db2.gz RRAFURVPBPQEFC-UHFFFAOYSA-N 0 0 284.300 3.310 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(Cc4ccc[nH]4)o3)cc2)c1 ZINC001256957128 807015134 /nfs/dbraw/zinc/01/51/34/807015134.db2.gz ITOJZELKINEDAP-UHFFFAOYSA-N 0 0 290.326 3.446 20 10 CGCDRN C[N@H+](Cc1ccccc1O)Cc1cnccc1C(F)(F)F ZINC001140920230 804548570 /nfs/dbraw/zinc/54/85/70/804548570.db2.gz MUYFBMOBBYWAFU-UHFFFAOYSA-N 0 0 296.292 3.438 20 10 CGCDRN CN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(Cl)c1 ZINC001140922385 804549652 /nfs/dbraw/zinc/54/96/52/804549652.db2.gz PHZFUQLOQFCOFS-OKILXGFUSA-N 0 0 292.810 3.102 20 10 CGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C1CC1 ZINC001142674163 804755361 /nfs/dbraw/zinc/75/53/61/804755361.db2.gz LZKMUTUWIDZFRQ-LAHHSVPQSA-N 0 0 281.319 3.015 20 10 CGCDRN CC(C)(C)c1cccc(CN2CCC[C@H](F)C(=O)C2)c1O ZINC001143104018 804801795 /nfs/dbraw/zinc/80/17/95/804801795.db2.gz OEBFSFSJBQEABG-AWEZNQCLSA-N 0 0 293.382 3.193 20 10 CGCDRN CN(Cc1cccc(C(C)(C)C)c1O)Cc1ncccn1 ZINC001143103714 804802104 /nfs/dbraw/zinc/80/21/04/804802104.db2.gz JEKIPROYYITNIH-UHFFFAOYSA-N 0 0 285.391 3.112 20 10 CGCDRN Cc1cccc(-c2noc(Cc3ccc(O)c(O)c3)n2)c1 ZINC001247958804 804856666 /nfs/dbraw/zinc/85/66/66/804856666.db2.gz DLDGLXQVZKBUGH-UHFFFAOYSA-N 0 0 282.299 3.047 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CGCDRN c1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212679692 815101875 /nfs/dbraw/zinc/10/18/75/815101875.db2.gz PIRQZVJZSGDPRY-UHFFFAOYSA-N 0 0 270.317 3.133 20 10 CGCDRN CC(=O)OCc1cccc(C)c1Nc1cccc(O)c1O ZINC001212771532 815133235 /nfs/dbraw/zinc/13/32/35/815133235.db2.gz WNZNUJKMXKXVOT-UHFFFAOYSA-N 0 0 287.315 3.213 20 10 CGCDRN Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2C)c1C ZINC001260997576 807709699 /nfs/dbraw/zinc/70/96/99/807709699.db2.gz ABQHSLRQNSJYMR-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN Oc1ccc(CNc2ccc(OC(F)F)cc2F)cc1O ZINC001169994455 807735027 /nfs/dbraw/zinc/73/50/27/807735027.db2.gz AROYGRRFUDZQLS-UHFFFAOYSA-N 0 0 299.248 3.450 20 10 CGCDRN Cc1csc2c1ncnc2NCc1ccc(O)c(O)c1 ZINC001169993800 807735133 /nfs/dbraw/zinc/73/51/33/807735133.db2.gz SWNNOXUFKSZRMQ-UHFFFAOYSA-N 0 0 287.344 3.023 20 10 CGCDRN CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(N)cc1)C1CC1 ZINC001262603930 807873281 /nfs/dbraw/zinc/87/32/81/807873281.db2.gz ZNFVCCZRQLALEB-QWHCGFSZSA-N 0 0 289.423 3.377 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CCOCC(C)C)CCC2 ZINC001171189925 808004126 /nfs/dbraw/zinc/00/41/26/808004126.db2.gz OXSFJUHNRWGURJ-UHFFFAOYSA-N 0 0 293.407 3.129 20 10 CGCDRN Oc1cccc(Nc2ccnc(OCC3CC3)c2)c1O ZINC001213017228 815201113 /nfs/dbraw/zinc/20/11/13/815201113.db2.gz JRBGLMFWZOCKIM-UHFFFAOYSA-N 0 0 272.304 3.025 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)[C@@H](C)CCC(=O)OC(C)C ZINC001172773742 808436957 /nfs/dbraw/zinc/43/69/57/808436957.db2.gz QWZBYEOCEVNKBY-AWEZNQCLSA-N 0 0 293.407 3.334 20 10 CGCDRN CCOc1ccc(Nc2ccc(N)cc2)c(OC)c1 ZINC001213119320 815240128 /nfs/dbraw/zinc/24/01/28/815240128.db2.gz YVIPYNSKJYZWKA-UHFFFAOYSA-N 0 0 258.321 3.420 20 10 CGCDRN Cc1n[nH]cc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001174475060 809029920 /nfs/dbraw/zinc/02/99/20/809029920.db2.gz LBYPQIAOPFURMR-UHFFFAOYSA-N 0 0 279.347 3.352 20 10 CGCDRN COc1c(F)ccc(F)c1Nc1ccc(N)cc1 ZINC001174663593 809123376 /nfs/dbraw/zinc/12/33/76/809123376.db2.gz BKCCFKBHDNYIBE-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN COc1ccc(F)c(Nc2cccc(O)c2O)c1F ZINC001175120638 809279566 /nfs/dbraw/zinc/27/95/66/809279566.db2.gz RUPLSLSQTGPWCL-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(-n2cccn2)cc1 ZINC001175374704 809382904 /nfs/dbraw/zinc/38/29/04/809382904.db2.gz LMISEULVBQBENA-UHFFFAOYSA-N 0 0 264.332 3.222 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2cnccc2c1)c1ccccc1O ZINC001302532474 809597131 /nfs/dbraw/zinc/59/71/31/809597131.db2.gz FCLUWBIXUGIEDV-GFCCVEGCSA-N 0 0 292.338 3.431 20 10 CGCDRN O=C([C@@H]1C[C@@H]1c1cccs1)N1CCc2cccc(O)c2C1 ZINC001177541168 809806753 /nfs/dbraw/zinc/80/67/53/809806753.db2.gz SUQVCBDCXSGEBO-QWHCGFSZSA-N 0 0 299.395 3.142 20 10 CGCDRN Cc1cccc2c(C(=O)NCc3c(O)cccc3O)coc21 ZINC001178911897 809894280 /nfs/dbraw/zinc/89/42/80/809894280.db2.gz QMAPKTHNTASGIR-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3nccnc3c2)cc1F ZINC001180759298 810021537 /nfs/dbraw/zinc/02/15/37/810021537.db2.gz QEZSPORBCDGEDM-UHFFFAOYSA-N 0 0 297.333 3.414 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CC(F)F ZINC001182969013 810132792 /nfs/dbraw/zinc/13/27/92/810132792.db2.gz OZAIWKQOFWBHDL-HNNXBMFYSA-N 0 0 297.345 3.404 20 10 CGCDRN CC(C)(C[NH2+]Cc1c([O-])cccc1F)Oc1ccccc1 ZINC001183918946 810169514 /nfs/dbraw/zinc/16/95/14/810169514.db2.gz DGDGJZXKEYJPOV-UHFFFAOYSA-N 0 0 289.350 3.479 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C(C)C)C2)cc1OC ZINC001185693133 810284000 /nfs/dbraw/zinc/28/40/00/810284000.db2.gz NPPAHEPMSMQNML-LLVKDONJSA-N 0 0 294.351 3.094 20 10 CGCDRN C[C@H](NC(=O)NCc1cccc(F)c1)c1ccccc1O ZINC001185846689 810295700 /nfs/dbraw/zinc/29/57/00/810295700.db2.gz DEPUIOWALHCDNI-NSHDSACASA-N 0 0 288.322 3.092 20 10 CGCDRN COc1ccc(CNc2nc3cccc(F)c3o2)c(O)c1 ZINC001186249157 810324426 /nfs/dbraw/zinc/32/44/26/810324426.db2.gz VBVLDDBAPXONRN-UHFFFAOYSA-N 0 0 288.278 3.293 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[C@@H]2C)c1 ZINC001186828435 810363521 /nfs/dbraw/zinc/36/35/21/810363521.db2.gz CMYFQOMUHBZDQB-NSHDSACASA-N 0 0 284.359 3.034 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CCOc1ccc(C(=O)NCc2ccccc2O)cc1CC ZINC001198194836 811483302 /nfs/dbraw/zinc/48/33/02/811483302.db2.gz KBDLTQHWQYIFIZ-UHFFFAOYSA-N 0 0 299.370 3.283 20 10 CGCDRN Cc1ccccc1NC(=S)NCc1cc(F)ccn1 ZINC001198449271 811504360 /nfs/dbraw/zinc/50/43/60/811504360.db2.gz RDIYWUJSZLPVBL-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN COCOc1c(C)cccc1Nc1cccc(O)c1O ZINC001214853462 815457403 /nfs/dbraw/zinc/45/74/03/815457403.db2.gz QUUSELAWBHUMIK-UHFFFAOYSA-N 0 0 275.304 3.133 20 10 CGCDRN C[C@@H](NC(=S)NCC1CCCCC1)c1ccccc1O ZINC001199929620 811614369 /nfs/dbraw/zinc/61/43/69/811614369.db2.gz LELXNADWJFIZHY-GFCCVEGCSA-N 0 0 292.448 3.498 20 10 CGCDRN CC(C)Nc1ccc(Nc2cc(C(N)=O)ccc2F)cc1 ZINC001201497589 811866113 /nfs/dbraw/zinc/86/61/13/811866113.db2.gz JJBXNINZPHTBJY-UHFFFAOYSA-N 0 0 287.338 3.489 20 10 CGCDRN Cc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1O ZINC001201940008 811978164 /nfs/dbraw/zinc/97/81/64/811978164.db2.gz GUTAOWZKXZJSRB-JKSUJKDBSA-N 0 0 296.370 3.056 20 10 CGCDRN Cn1c2ccccc2nc1NC(=O)Nc1ccc(F)cc1 ZINC001202341939 812066530 /nfs/dbraw/zinc/06/65/30/812066530.db2.gz JVUXHJGCEGSGSM-UHFFFAOYSA-N 0 0 284.294 3.356 20 10 CGCDRN Cc1cccc(CNC(=O)N[C@@H](C)c2ccccc2)c1O ZINC001202514985 812112505 /nfs/dbraw/zinc/11/25/05/812112505.db2.gz ZRVPYJVXRGXHPV-ZDUSSCGKSA-N 0 0 284.359 3.261 20 10 CGCDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3O)n2)cc1C ZINC001215325274 815506848 /nfs/dbraw/zinc/50/68/48/815506848.db2.gz JUNZQXIGLSWTFF-UHFFFAOYSA-N 0 0 298.298 3.137 20 10 CGCDRN Cc1nnc(-c2ccc(N(C)c3ccc(N)cc3)cc2)o1 ZINC001203100954 812240233 /nfs/dbraw/zinc/24/02/33/812240233.db2.gz BJXYUQMXGCTFDW-UHFFFAOYSA-N 0 0 280.331 3.395 20 10 CGCDRN CC(C)(O)C=CNc1ccccc1C(=O)c1ccncc1 ZINC001203226737 812271822 /nfs/dbraw/zinc/27/18/22/812271822.db2.gz LJWRPOITZMBZRE-FMIVXFBMSA-N 0 0 282.343 3.009 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc(F)c(F)c2Cl)cc1 ZINC001215402985 815517104 /nfs/dbraw/zinc/51/71/04/815517104.db2.gz IWWMNEDYAFWURO-UHFFFAOYSA-N 0 0 298.720 3.331 20 10 CGCDRN 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CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC001560798946 937236954 /nfs/dbraw/zinc/23/69/54/937236954.db2.gz SIRVTUYFLMMGNS-UHFFFAOYSA-N 0 0 295.810 3.438 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c(O)c1O ZINC001443639629 937347835 /nfs/dbraw/zinc/34/78/35/937347835.db2.gz BFQJNEVWCGFYHY-CHWSQXEVSA-N 0 0 291.391 3.351 20 10 CGCDRN CCCCC[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001446016435 937360647 /nfs/dbraw/zinc/36/06/47/937360647.db2.gz RJAHTGDWMSACFE-CQSZACIVSA-N 0 0 291.391 3.212 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CSc2ccccc21)c1ccccc1O ZINC001454804123 937412472 /nfs/dbraw/zinc/41/24/72/937412472.db2.gz HTLKKXJEAOVLNM-BXUZGUMPSA-N 0 0 299.395 3.459 20 10 CGCDRN O=C(c1cccc2ccncc21)N1Cc2cccc(O)c2C1 ZINC001455036698 937414575 /nfs/dbraw/zinc/41/45/75/937414575.db2.gz JGOZJKILVBVCSI-UHFFFAOYSA-N 0 0 290.322 3.096 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CCSCC1 ZINC001461181316 937568118 /nfs/dbraw/zinc/56/81/18/937568118.db2.gz LUCSKMUQRYASKY-UHFFFAOYSA-N 0 0 289.803 3.418 20 10 CGCDRN C[C@@](CO)([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001461235613 937571345 /nfs/dbraw/zinc/57/13/45/937571345.db2.gz PUSUKOAQAXFUDM-INIZCTEOSA-N 0 0 299.361 3.091 20 10 CGCDRN Cc1cccc(CCC[NH2+]Cc2cc(F)c(F)cc2[O-])n1 ZINC001462220401 937625998 /nfs/dbraw/zinc/62/59/98/937625998.db2.gz KGHKXLWBQHFNSG-UHFFFAOYSA-N 0 0 292.329 3.096 20 10 CGCDRN CN(Cc1ccon1)c1ccc(-c2nccs2)cc1 ZINC001307828647 933005183 /nfs/dbraw/zinc/00/51/83/933005183.db2.gz LPNSNJNNVXMTHJ-UHFFFAOYSA-N 0 0 271.345 3.435 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001307905968 933017285 /nfs/dbraw/zinc/01/72/85/933017285.db2.gz SUTOSEFFOFLPCJ-CVEARBPZSA-N 0 0 261.365 3.089 20 10 CGCDRN CC[C@@H](NCc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001308836175 933186417 /nfs/dbraw/zinc/18/64/17/933186417.db2.gz QQKWHFXMAPGYRG-GFCCVEGCSA-N 0 0 299.798 3.256 20 10 CGCDRN Cc1cccc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001310096092 933251153 /nfs/dbraw/zinc/25/11/53/933251153.db2.gz ZIBVDHXGNVYIGJ-UHFFFAOYSA-N 0 0 274.295 3.161 20 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CGCDRN COc1ccc(N(C)C[C@H]2CC[C@H](C3CC3)O2)cc1F ZINC001473250115 937798864 /nfs/dbraw/zinc/79/88/64/937798864.db2.gz CQONRGAIPPQPJX-UKRRQHHQSA-N 0 0 279.355 3.228 20 10 CGCDRN CC(C)(C)SCC(=O)Nc1c2nonc2ccc1Cl ZINC001326699077 934999353 /nfs/dbraw/zinc/99/93/53/934999353.db2.gz VMSNPXGJVQFUDW-UHFFFAOYSA-N 0 0 299.783 3.346 20 10 CGCDRN CC1(C)CC[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001328623538 935153124 /nfs/dbraw/zinc/15/31/24/935153124.db2.gz IUUIZRJOYMBMCZ-SSDOTTSWSA-N 0 0 279.727 3.251 20 10 CGCDRN CCC[C@@H](CC)NC(=O)NCc1cc(C)ccc1O ZINC001331060426 935346658 /nfs/dbraw/zinc/34/66/58/935346658.db2.gz XTZISVSDVVBTGL-CYBMUJFWSA-N 0 0 264.369 3.079 20 10 CGCDRN Cc1[nH]nc(NCc2ccc(N3CCCC3)cc2)c1C ZINC001331230155 935359366 /nfs/dbraw/zinc/35/93/66/935359366.db2.gz RFXAWFSORRYOAE-UHFFFAOYSA-N 0 0 270.380 3.239 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1c([O-])cccc1F ZINC001331251129 935361291 /nfs/dbraw/zinc/36/12/91/935361291.db2.gz CAFBOKVWNPEHOA-FPMFFAJLSA-N 0 0 280.387 3.055 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001331287851 935365166 /nfs/dbraw/zinc/36/51/66/935365166.db2.gz CHLMJDONDMKZGR-KOLCDFICSA-N 0 0 259.271 3.041 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC23CC3)cc1F ZINC001332480505 935472963 /nfs/dbraw/zinc/47/29/63/935472963.db2.gz AVQKDQTUDBVBSD-ZDUSSCGKSA-N 0 0 290.382 3.088 20 10 CGCDRN Cc1ccccc1C1(C(=O)NCc2c(O)cccc2F)CC1 ZINC001333856035 936071503 /nfs/dbraw/zinc/07/15/03/936071503.db2.gz DNJSNDHJJCBVKZ-UHFFFAOYSA-N 0 0 299.345 3.188 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC001474632105 937871443 /nfs/dbraw/zinc/87/14/43/937871443.db2.gz JAJPECJWUNEFLP-MNOVXSKESA-N 0 0 285.359 3.140 20 10 CGCDRN C[C@H]1CCC[C@H](C)C1NC(=O)NCc1c(O)cccc1F ZINC001478811579 937911537 /nfs/dbraw/zinc/91/15/37/937911537.db2.gz UQRZJCYBTNGEFO-QWRGUYRKSA-N 0 0 294.370 3.155 20 10 CGCDRN CC1(C)CCC(C(=O)NCc2ccc(N)cc2)CC1 ZINC001515333841 938005672 /nfs/dbraw/zinc/00/56/72/938005672.db2.gz WWRSGSQPFXMYAC-UHFFFAOYSA-N 0 0 260.381 3.101 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccc(Cl)nc1 ZINC001519912167 938021639 /nfs/dbraw/zinc/02/16/39/938021639.db2.gz DCMBAGQUNQCYOT-ZZXKWVIFSA-N 0 0 287.750 3.115 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001520359500 938025054 /nfs/dbraw/zinc/02/50/54/938025054.db2.gz PKRAEOPPBPNCHJ-RYPBNFRJSA-N 0 0 291.738 3.107 20 10 CGCDRN CC[C@H](C)n1nccc1C(=O)N[C@H](C)c1ccccc1O ZINC001521806681 938034478 /nfs/dbraw/zinc/03/44/78/938034478.db2.gz GHCKEIHQODPJIF-NWDGAFQWSA-N 0 0 287.363 3.051 20 10 CGCDRN CN(C(=O)/C=C\c1cn(C)cn1)c1cccc2ccccc21 ZINC001526751226 938057847 /nfs/dbraw/zinc/05/78/47/938057847.db2.gz DJBQWXPWEMTEEX-KHPPLWFESA-N 0 0 291.354 3.250 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)C1(F)CCCCC1 ZINC001531534263 938082366 /nfs/dbraw/zinc/08/23/66/938082366.db2.gz YKBFLMFILQNQCT-UHFFFAOYSA-N 0 0 297.717 3.487 20 10 CGCDRN C[C@@H]1CC=C(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC001544164647 938143686 /nfs/dbraw/zinc/14/36/86/938143686.db2.gz MPYSMSXYNHOXFJ-CQSZACIVSA-N 0 0 298.430 3.432 20 10 CGCDRN CC[C@@H](CC1CCCC1)C(=O)NCc1cc(O)ccc1O ZINC001558174810 938213934 /nfs/dbraw/zinc/21/39/34/938213934.db2.gz UZHNRYRJKRTZFW-ZDUSSCGKSA-N 0 0 291.391 3.321 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC001560291228 938251280 /nfs/dbraw/zinc/25/12/80/938251280.db2.gz HWUPVFFUXNFINM-QMMMGPOBSA-N 0 0 257.736 3.320 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2C[C@H]2c2cnn(C)c2)cc1 ZINC001560758267 938274317 /nfs/dbraw/zinc/27/43/17/938274317.db2.gz RQGDOISNVUITRE-KBXCAEBGSA-N 0 0 299.418 3.447 20 10 CGCDRN CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560778509 938275436 /nfs/dbraw/zinc/27/54/36/938275436.db2.gz DCJDIJWKMOTHBR-GOEBONIOSA-N 0 0 299.361 3.354 20 10 CGCDRN CC[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CC1(C)C ZINC001564951657 960713682 /nfs/dbraw/zinc/71/36/82/960713682.db2.gz BAUGJXSOIUEXBN-YPMHNXCESA-N 0 0 294.370 3.155 20 10 CGCDRN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001573698764 962279767 /nfs/dbraw/zinc/27/97/67/962279767.db2.gz QAVZCDJTFNWAPJ-IUODEOHRSA-N 0 0 299.370 3.088 20 10 CGCDRN CCN(C)c1ccc(C[N@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC001573875396 962280817 /nfs/dbraw/zinc/28/08/17/962280817.db2.gz NZQANLJKOCNUHM-UHFFFAOYSA-N 0 0 292.423 3.075 20 10 CGCDRN CN(C(=O)Cc1ccc2cccnc2c1)c1ccc(N)cc1 ZINC001578378400 962589056 /nfs/dbraw/zinc/58/90/56/962589056.db2.gz WOERUGXRZIZFHY-UHFFFAOYSA-N 0 0 291.354 3.023 20 10 CGCDRN Cc1noc(C(C)C)c1NC(=O)NCc1ccc(N)cc1 ZINC001579916749 962679353 /nfs/dbraw/zinc/67/93/53/962679353.db2.gz HNXGSZWROOBXFL-UHFFFAOYSA-N 0 0 288.351 3.010 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccccc2-c2ncco2)cc1 ZINC001580443162 962727166 /nfs/dbraw/zinc/72/71/66/962727166.db2.gz UEDUVIAADCDHSK-UHFFFAOYSA-N 0 0 293.326 3.105 20 10 CGCDRN Nc1ccc(NCc2cnn(-c3ccccc3)c2)cc1 ZINC001580449622 962727925 /nfs/dbraw/zinc/72/79/25/962727925.db2.gz QANACRLRTBKPLP-UHFFFAOYSA-N 0 0 264.332 3.067 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2c1cccc2F ZINC001584486492 962932604 /nfs/dbraw/zinc/93/26/04/962932604.db2.gz ZDTICTQMBOQEGL-ZRDIBKRKSA-N 0 0 282.318 3.213 20 10 CGCDRN CNc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC001587451388 963194140 /nfs/dbraw/zinc/19/41/40/963194140.db2.gz SUXXDQUXVFXGPA-JTQLQIEISA-N 0 0 288.322 3.064 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001588968958 963337675 /nfs/dbraw/zinc/33/76/75/963337675.db2.gz WBBGXFUOFRVOJP-ZDUSSCGKSA-N 0 0 291.391 3.202 20 10 CGCDRN CCN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001589715201 964015544 /nfs/dbraw/zinc/01/55/44/964015544.db2.gz OVLQPLOVISNWDK-KRWDZBQOSA-N 0 0 298.386 3.058 20 10 CGCDRN CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1cccc(C)c1O)CC1CC1 ZINC001594787970 981832264 /nfs/dbraw/zinc/83/22/64/981832264.db2.gz QXJDGPLLJUREFA-KRWDZBQOSA-N 0 0 291.391 3.166 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593251868 994500689 /nfs/dbraw/zinc/50/06/89/994500689.db2.gz LJLJAZMIIMUXSK-NWDGAFQWSA-N 0 0 275.348 3.097 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC001594423880 999584243 /nfs/dbraw/zinc/58/42/43/999584243.db2.gz JZLCDKJELWOVJH-WFASDCNBSA-N 0 0 291.391 3.201 20 10 CGCDRN CN(C)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1F ZINC000058545649 345197089 /nfs/dbraw/zinc/19/70/89/345197089.db2.gz SXEBDHYPNJWRMD-UHFFFAOYSA-N 0 0 289.310 3.412 20 10 CGCDRN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000290627181 346425400 /nfs/dbraw/zinc/42/54/00/346425400.db2.gz XRMNKWXZVPJQMR-AWEZNQCLSA-N 0 0 289.354 3.208 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N2CCc3ccccc32)cc1 ZINC000031726422 368917689 /nfs/dbraw/zinc/91/76/89/368917689.db2.gz IXTIQFWGSMFGOY-UHFFFAOYSA-N 0 0 295.386 3.025 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000042812710 369233765 /nfs/dbraw/zinc/23/37/65/369233765.db2.gz RVKIZPOLQRWAFB-NSHDSACASA-N 0 0 290.190 3.358 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000075308753 369903044 /nfs/dbraw/zinc/90/30/44/369903044.db2.gz LPWIWDJWTNQQTN-NWDGAFQWSA-N 0 0 264.369 3.016 20 10 CGCDRN CCC[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000078926153 369956009 /nfs/dbraw/zinc/95/60/09/369956009.db2.gz DJXDHDIHDBAPRT-ZDUSSCGKSA-N 0 0 262.397 3.147 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000092729078 370100719 /nfs/dbraw/zinc/10/07/19/370100719.db2.gz PANRZIDNNYOMFT-ZDUSSCGKSA-N 0 0 291.782 3.496 20 10 CGCDRN CC(C)(C)c1cnc(SCc2cc[nH]n2)s1 ZINC000287523400 371668458 /nfs/dbraw/zinc/66/84/58/371668458.db2.gz MIRMFLAQVFTVCB-UHFFFAOYSA-N 0 0 253.396 3.456 20 10 CGCDRN CCOC(C)(C)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000287311898 371638589 /nfs/dbraw/zinc/63/85/89/371638589.db2.gz FBONOTQDWPRNEQ-ZDUSSCGKSA-N 0 0 269.360 3.387 20 10 CGCDRN C[C@@H](N[C@@H](C)c1cc(F)ccc1O)C(F)(F)F ZINC000287363270 371645669 /nfs/dbraw/zinc/64/56/69/371645669.db2.gz OGACGYSUWBUWPO-NKWVEPMBSA-N 0 0 251.223 3.133 20 10 CGCDRN C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000287432891 371655652 /nfs/dbraw/zinc/65/56/52/371655652.db2.gz SZDZLTZOFNMGMC-UFBFGSQYSA-N 0 0 259.271 3.384 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000287811091 371707557 /nfs/dbraw/zinc/70/75/57/371707557.db2.gz UROMVMNKQNTMNC-RDBSUJKOSA-N 0 0 283.799 3.390 20 10 CGCDRN Oc1cccc(Cl)c1C[NH2+]C[C@H]1COc2ccccc21 ZINC000288482418 371740308 /nfs/dbraw/zinc/74/03/08/371740308.db2.gz GPSXQMKKTJPWAB-NSHDSACASA-N 0 0 289.762 3.311 20 10 CGCDRN CCCC[N@H+](CCCO)Cc1cccc(Cl)c1[O-] ZINC000289178198 371752863 /nfs/dbraw/zinc/75/28/63/371752863.db2.gz AGASGUUXFWKTFJ-UHFFFAOYSA-N 0 0 271.788 3.030 20 10 CGCDRN CCCOc1ccc(C[N@@H+]2CCC[C@H]2CF)c(O)c1 ZINC000293955819 372536278 /nfs/dbraw/zinc/53/62/78/372536278.db2.gz JCEHHPSKSURYSK-ZDUSSCGKSA-N 0 0 267.344 3.115 20 10 CGCDRN Cc1ccoc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293893135 372514863 /nfs/dbraw/zinc/51/48/63/372514863.db2.gz ZFFCMORVNSGPOC-SNVBAGLBSA-N 0 0 276.292 3.053 20 10 CGCDRN CC(C)[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000294142258 372592891 /nfs/dbraw/zinc/59/28/91/372592891.db2.gz UYHBHIYGKXQAMW-AWEZNQCLSA-N 0 0 283.799 3.293 20 10 CGCDRN COc1ccc(N(Cc2cnns2)[C@H](C)C2CC2)cc1 ZINC000295011881 372687061 /nfs/dbraw/zinc/68/70/61/372687061.db2.gz SZTCBIPOUCYPTB-LLVKDONJSA-N 0 0 289.404 3.352 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CSC(F)F ZINC000295313968 372735156 /nfs/dbraw/zinc/73/51/56/372735156.db2.gz SCFNRSWFNSKDDR-UHFFFAOYSA-N 0 0 289.347 3.087 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)NCc2nccn2CC)cc1 ZINC000296599549 373191262 /nfs/dbraw/zinc/19/12/62/373191262.db2.gz VLPHTTYZCGIMCB-CQSZACIVSA-N 0 0 286.423 3.210 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC1(C)C ZINC000297598677 373276951 /nfs/dbraw/zinc/27/69/51/373276951.db2.gz VQDFGTRKLKEQDF-CQSZACIVSA-N 0 0 290.407 3.360 20 10 CGCDRN Cc1cccc(OCCCC(=O)NCc2ccc(N)cc2)c1 ZINC000296845272 373251431 /nfs/dbraw/zinc/25/14/31/373251431.db2.gz CDOQUIRJJQSMHM-UHFFFAOYSA-N 0 0 298.386 3.053 20 10 CGCDRN Nc1ccc(CNC(=O)C2(Cc3ccccc3)CCC2)cc1 ZINC000296848226 373251483 /nfs/dbraw/zinc/25/14/83/373251483.db2.gz CJOZGLBLAPCXJX-UHFFFAOYSA-N 0 0 294.398 3.298 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000297166185 373258864 /nfs/dbraw/zinc/25/88/64/373258864.db2.gz DEORVILNNMOUNK-GFCCVEGCSA-N 0 0 272.348 3.028 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@H]2CCc3cccc(O)c32)o1 ZINC000297166188 373258974 /nfs/dbraw/zinc/25/89/74/373258974.db2.gz DEORVILNNMOUNK-LBPRGKRZSA-N 0 0 272.348 3.028 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cncc(Cl)n2)c1 ZINC000302843177 373982788 /nfs/dbraw/zinc/98/27/88/373982788.db2.gz FBUCIRRZELCMQG-QMMMGPOBSA-N 0 0 279.727 3.017 20 10 CGCDRN CCC(CC)(CC)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180812634 374048190 /nfs/dbraw/zinc/04/81/90/374048190.db2.gz UHRAGOMJQFSZHJ-CSKARUKUSA-N 0 0 277.364 3.196 20 10 CGCDRN CC(C)C[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000184657032 374548346 /nfs/dbraw/zinc/54/83/46/374548346.db2.gz FQYNMBAEKVUYPG-CQSZACIVSA-N 0 0 276.424 3.393 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000472232353 375013098 /nfs/dbraw/zinc/01/30/98/375013098.db2.gz XDARZEIBOWGACM-OCCSQVGLSA-N 0 0 299.418 3.427 20 10 CGCDRN C[C@@H](Sc1nccs1)c1nnnn1C1CCCCC1 ZINC000188977288 375304074 /nfs/dbraw/zinc/30/40/74/375304074.db2.gz VQILVGHPLRUTOA-SECBINFHSA-N 0 0 295.437 3.488 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000528855284 375912193 /nfs/dbraw/zinc/91/21/93/375912193.db2.gz QNSQDPROTGKZFP-CVEARBPZSA-N 0 0 299.345 3.341 20 10 CGCDRN Fc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 ZINC000341418481 377558216 /nfs/dbraw/zinc/55/82/16/377558216.db2.gz NEHFHXJTDUVHKI-UHFFFAOYSA-N 0 0 294.333 3.391 20 10 CGCDRN COC[C@@H](NCc1ccc(OC)c(C)c1)c1ccco1 ZINC000266977396 378029197 /nfs/dbraw/zinc/02/91/97/378029197.db2.gz RJKRDJNFPPZBBO-CQSZACIVSA-N 0 0 275.348 3.074 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)C=C2CCC2)C2CC2)cc1 ZINC000267937879 378046645 /nfs/dbraw/zinc/04/66/45/378046645.db2.gz AVYIPQQFGDALRY-UHFFFAOYSA-N 0 0 284.403 3.354 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](CC)O1 ZINC000268311907 378053312 /nfs/dbraw/zinc/05/33/12/378053312.db2.gz ZMBOBAPOOBXQTA-GOEBONIOSA-N 0 0 291.391 3.088 20 10 CGCDRN Cn1cc(C(=O)Nc2ccc(N)cc2)c(C2CCCCC2)n1 ZINC000269144563 378192162 /nfs/dbraw/zinc/19/21/62/378192162.db2.gz YAVWGLSCOBDQDG-UHFFFAOYSA-N 0 0 298.390 3.302 20 10 CGCDRN CC1(C)CCC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000270262534 378327784 /nfs/dbraw/zinc/32/77/84/378327784.db2.gz UIRJLKJIZKOHME-LBPRGKRZSA-N 0 0 261.365 3.225 20 10 CGCDRN CC(C)N(Cc1csnn1)Cc1ccc(N(C)C)cc1 ZINC000271067720 378445556 /nfs/dbraw/zinc/44/55/56/378445556.db2.gz JTHCVBZKACPOGN-UHFFFAOYSA-N 0 0 290.436 3.015 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2cc(C)ccc2O)c1 ZINC000271018746 378427940 /nfs/dbraw/zinc/42/79/40/378427940.db2.gz SOUDWMOYZNRDNC-UHFFFAOYSA-N 0 0 271.360 3.341 20 10 CGCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cscn1 ZINC000271027846 378432582 /nfs/dbraw/zinc/43/25/82/378432582.db2.gz BHCUYTKOGRKYHE-JTQLQIEISA-N 0 0 279.384 3.199 20 10 CGCDRN C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000271786756 378504636 /nfs/dbraw/zinc/50/46/36/378504636.db2.gz FTBQRLAOFYPHRP-MRXNPFEDSA-N 0 0 291.778 3.043 20 10 CGCDRN C[C@@H]1C[C@H](CC[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000273180024 378737577 /nfs/dbraw/zinc/73/75/77/378737577.db2.gz ODGIRGWZHGFMAK-VXGBXAGGSA-N 0 0 283.799 3.340 20 10 CGCDRN COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1 ZINC000273383241 378744015 /nfs/dbraw/zinc/74/40/15/378744015.db2.gz CIHFLBKRHVHPCH-HZSPNIEDSA-N 0 0 293.407 3.257 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000273406752 378745325 /nfs/dbraw/zinc/74/53/25/378745325.db2.gz ONYOMVFNOQAACM-GHMZBOCLSA-N 0 0 287.319 3.107 20 10 CGCDRN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2O)s1 ZINC000274262697 378799553 /nfs/dbraw/zinc/79/95/53/378799553.db2.gz VCCUMNJFAPYGAX-JGVFFNPUSA-N 0 0 281.356 3.103 20 10 CGCDRN C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000277076604 379060579 /nfs/dbraw/zinc/06/05/79/379060579.db2.gz JEKVNDMCZBIMNN-ZJUUUORDSA-N 0 0 260.303 3.354 20 10 CGCDRN Oc1c(Cl)cccc1CNc1cnc2c(c1)COCC2 ZINC000373198171 379239739 /nfs/dbraw/zinc/23/97/39/379239739.db2.gz NKSGCQBQOHELFK-UHFFFAOYSA-N 0 0 290.750 3.125 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCO[C@@H]1C1CC1 ZINC000373372168 379266546 /nfs/dbraw/zinc/26/65/46/379266546.db2.gz ZURJHXUSPNDFJA-HZPDHXFCSA-N 0 0 295.810 3.340 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CC2(CCC2)c2ccccc21 ZINC000375457054 379499956 /nfs/dbraw/zinc/49/99/56/379499956.db2.gz IGUJPQWHAYGWSW-UHFFFAOYSA-N 0 0 295.338 3.180 20 10 CGCDRN C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000375322813 379494321 /nfs/dbraw/zinc/49/43/21/379494321.db2.gz VPFPRSJFPHXQQC-AWEZNQCLSA-N 0 0 298.434 3.136 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1cccs1 ZINC000731867276 572433241 /nfs/dbraw/zinc/43/32/41/572433241.db2.gz QLZZCVQSWZDTTE-JTQLQIEISA-N 0 0 279.386 3.493 20 10 CGCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284297287 380138454 /nfs/dbraw/zinc/13/84/54/380138454.db2.gz YLYLPNBUVKZWOK-LNSITVRQSA-N 0 0 265.397 3.067 20 10 CGCDRN CC(C)c1[nH]ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284986517 380142607 /nfs/dbraw/zinc/14/26/07/380142607.db2.gz MLRAZSAIDAYXAX-UHFFFAOYSA-N 0 0 299.418 3.476 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285302115 380145342 /nfs/dbraw/zinc/14/53/42/380145342.db2.gz VYZHVDDAMHCHFE-ZIAGYGMSSA-N 0 0 281.783 3.189 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(F)cc1[O-] ZINC000286176425 380170638 /nfs/dbraw/zinc/17/06/38/380170638.db2.gz QPIOTUFAXTZVKS-AWEZNQCLSA-N 0 0 262.328 3.111 20 10 CGCDRN CC[C@H]([NH2+]CCCCCOC)c1ccc(F)cc1[O-] ZINC000285924978 380153117 /nfs/dbraw/zinc/15/31/17/380153117.db2.gz DXZBCEXXGSOOLM-AWEZNQCLSA-N 0 0 269.360 3.389 20 10 CGCDRN CC[C@@H]([NH2+]C1CCN(CC)CC1)c1ccc(F)cc1[O-] ZINC000285613739 392326851 /nfs/dbraw/zinc/32/68/51/392326851.db2.gz KHWCSGCDZHATBV-OAHLLOKOSA-N 0 0 280.387 3.056 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(F)cc1[O-] ZINC000285685518 392328544 /nfs/dbraw/zinc/32/85/44/392328544.db2.gz OESWJATWTAELAV-UKRRQHHQSA-N 0 0 280.387 3.056 20 10 CGCDRN CC(C)SCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287041539 392392178 /nfs/dbraw/zinc/39/21/78/392392178.db2.gz MJRRWWZPRHHBLW-JTQLQIEISA-N 0 0 284.381 3.093 20 10 CGCDRN Clc1cnc(NCc2ccc(N3CC=CC3)cc2)nc1 ZINC000301480826 392592262 /nfs/dbraw/zinc/59/22/62/392592262.db2.gz DNYHZYSORXDRQJ-UHFFFAOYSA-N 0 0 286.766 3.118 20 10 CGCDRN CO[C@H](C)c1nc(CN(C)Cc2ccccc2O)cs1 ZINC000177676235 392665995 /nfs/dbraw/zinc/66/59/95/392665995.db2.gz LLLOBXBVMXWJRK-LLVKDONJSA-N 0 0 292.404 3.188 20 10 CGCDRN CC(C)(C)OCCOc1ccc(N2CCCC2)cc1 ZINC000178191696 392674301 /nfs/dbraw/zinc/67/43/01/392674301.db2.gz KTCRFQPSPFVLBI-UHFFFAOYSA-N 0 0 263.381 3.481 20 10 CGCDRN CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccccc1O ZINC000274734160 393289268 /nfs/dbraw/zinc/28/92/68/393289268.db2.gz CPSFHSXZNIEOQB-ZBFHGGJFSA-N 0 0 277.408 3.230 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC000020207311 171071931 /nfs/dbraw/zinc/07/19/31/171071931.db2.gz KPCKCLWNSGTXPU-QPUJVOFHSA-N 0 0 290.190 3.356 20 10 CGCDRN COc1cc2c(cc1F)ncnc2Sc1nccs1 ZINC000302187483 227816751 /nfs/dbraw/zinc/81/67/51/227816751.db2.gz WHMCWWWLGZHJPV-UHFFFAOYSA-N 0 0 293.348 3.385 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(O)cc1 ZINC000133539443 260905514 /nfs/dbraw/zinc/90/55/14/260905514.db2.gz FQIPHYCALGFALA-UHFFFAOYSA-N 0 0 299.370 3.079 20 10 CGCDRN CC(C)OCc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000152540785 261065219 /nfs/dbraw/zinc/06/52/19/261065219.db2.gz MECLLMUPZGEQBF-UHFFFAOYSA-N 0 0 298.386 3.375 20 10 CGCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000156240475 261117403 /nfs/dbraw/zinc/11/74/03/261117403.db2.gz GTHDMVHGEQUUPG-GDBMZVCRSA-N 0 0 274.408 3.142 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000157930416 261155599 /nfs/dbraw/zinc/15/55/99/261155599.db2.gz IITNXTGYAYSKEY-HICWGWBUSA-N 0 0 279.355 3.140 20 10 CGCDRN Cc1cc(C)cc(C[C@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000161345841 261244402 /nfs/dbraw/zinc/24/44/02/261244402.db2.gz NBNQFZPFRFPCDV-HNNXBMFYSA-N 0 0 296.414 3.176 20 10 CGCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N(C)C ZINC000164065578 261339401 /nfs/dbraw/zinc/33/94/01/261339401.db2.gz SCFJLOHDJNJRBN-MRVPVSSYSA-N 0 0 272.439 3.009 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000176270326 261645673 /nfs/dbraw/zinc/64/56/73/261645673.db2.gz DPUVXIATQZZYSI-UHFFFAOYSA-N 0 0 298.386 3.209 20 10 CGCDRN COc1cccc(CNC(=O)C2(C)CCCCCC2)c1O ZINC000182264226 261932098 /nfs/dbraw/zinc/93/20/98/261932098.db2.gz AKUGUMRNCRJPHQ-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(CC(F)F)c2)c1 ZINC000186341524 262089741 /nfs/dbraw/zinc/08/97/41/262089741.db2.gz NZTQQVKNPWUZLP-SNVBAGLBSA-N 0 0 281.306 3.335 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000186515311 262316241 /nfs/dbraw/zinc/31/62/41/262316241.db2.gz UTKJYFJVAOLOJN-DGCLKSJQSA-N 0 0 267.344 3.141 20 10 CGCDRN CC(=O)N1Cc2ccc(N[C@@H](C)c3ccccc3O)cc2C1 ZINC000368483247 267176652 /nfs/dbraw/zinc/17/66/52/267176652.db2.gz RHMUBCMFFLAOCK-LBPRGKRZSA-N 0 0 296.370 3.427 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ccno1 ZINC000270915146 277434312 /nfs/dbraw/zinc/43/43/12/277434312.db2.gz UCRDDRJBCFAXBN-UHFFFAOYSA-N 0 0 258.321 3.026 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287549511 288043170 /nfs/dbraw/zinc/04/31/70/288043170.db2.gz FOIVWIGVVJMTHK-MJVIPROJSA-N 0 0 285.815 3.493 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000036798972 295352187 /nfs/dbraw/zinc/35/21/87/295352187.db2.gz AXXNAIQFSRGOSA-KRWDZBQOSA-N 0 0 280.371 3.175 20 10 CGCDRN CN(C(=O)Cc1ccc(N)cc1)C1C2CC3CC(C2)CC1C3 ZINC000261916884 327638106 /nfs/dbraw/zinc/63/81/06/327638106.db2.gz HDTMHPVSFWDGTD-UHFFFAOYSA-N 0 0 298.430 3.094 20 10 CGCDRN CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000527922893 330296001 /nfs/dbraw/zinc/29/60/01/330296001.db2.gz BXHBOJJZKMHPDH-IUODEOHRSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]1CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000490408567 332088835 /nfs/dbraw/zinc/08/88/35/332088835.db2.gz NTCDTIVXXXONPF-ZDUSSCGKSA-N 0 0 285.391 3.181 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc(F)c(F)c1 ZINC000492409135 332396030 /nfs/dbraw/zinc/39/60/30/332396030.db2.gz ADWATMDCBNZESX-UTCJRWHESA-N 0 0 288.297 3.344 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)n1 ZINC000135020787 334112332 /nfs/dbraw/zinc/11/23/32/334112332.db2.gz JADBINOMXQSSPH-VQHVLOKHSA-N 0 0 287.750 3.115 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCSC2)c1[O-] ZINC000050133447 518278790 /nfs/dbraw/zinc/27/87/90/518278790.db2.gz UTUVWFVLOUFVRU-LBPRGKRZSA-N 0 0 299.823 3.186 20 10 CGCDRN CCOC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000276547932 520149841 /nfs/dbraw/zinc/14/98/41/520149841.db2.gz FAEAYETYWRIHBL-FZMZJTMJSA-N 0 0 296.367 3.012 20 10 CGCDRN CCN(CCOC1CCC1)c1ccc(OC)c(OC)c1 ZINC000287876535 521139232 /nfs/dbraw/zinc/13/92/32/521139232.db2.gz SPUBJIMHISIMRU-UHFFFAOYSA-N 0 0 279.380 3.099 20 10 CGCDRN CCCN(CC)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265969215 521599867 /nfs/dbraw/zinc/59/98/67/521599867.db2.gz TYUDWXDRWSDNTJ-UHFFFAOYSA-N 0 0 287.407 3.004 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC=CCC1 ZINC000299623739 521689189 /nfs/dbraw/zinc/68/91/89/521689189.db2.gz JKTHPKNPQQLLIA-CQSZACIVSA-N 0 0 273.376 3.487 20 10 CGCDRN CC[C@@H]1C[C@H]1NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000280686466 523579807 /nfs/dbraw/zinc/57/98/07/523579807.db2.gz DCWPKOFTFYDVLE-GDBMZVCRSA-N 0 0 289.423 3.083 20 10 CGCDRN CN(C(=O)Cc1ccc(N)cc1)C1CCC(C)(C)CC1 ZINC000094857280 523849226 /nfs/dbraw/zinc/84/92/26/523849226.db2.gz FILHGCCXVYXULH-UHFFFAOYSA-N 0 0 274.408 3.239 20 10 CGCDRN C[C@H](CC1CCCC1)C(=O)NCc1ccccc1O ZINC000265120304 524104943 /nfs/dbraw/zinc/10/49/43/524104943.db2.gz FLMDUACQGUBDAF-GFCCVEGCSA-N 0 0 261.365 3.225 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(O)c2OC)cc1F ZINC000272589650 524353484 /nfs/dbraw/zinc/35/34/84/524353484.db2.gz ZZTXOKWSIBYZTG-UHFFFAOYSA-N 0 0 291.322 3.185 20 10 CGCDRN COc1ccc(N(C)Cc2nccn2C(F)F)cc1F ZINC000121785474 524354735 /nfs/dbraw/zinc/35/47/35/524354735.db2.gz LFEMCEZQIYRJLY-UHFFFAOYSA-N 0 0 285.269 3.062 20 10 CGCDRN COc1ccc(N(Cc2nccn2C)[C@@H](C)C2CC2)cc1 ZINC000111236653 524370254 /nfs/dbraw/zinc/37/02/54/524370254.db2.gz ALIVGIMXVLQVSZ-ZDUSSCGKSA-N 0 0 285.391 3.234 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)CSc2nccs2)[C@@H]1C ZINC000047249638 524396867 /nfs/dbraw/zinc/39/68/67/524396867.db2.gz MTGKSUZYTHKYON-MXWKQRLJSA-N 0 0 284.450 3.176 20 10 CGCDRN C[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104818361 524423081 /nfs/dbraw/zinc/42/30/81/524423081.db2.gz AYKDMRNIYAZBNE-CZUORRHYSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1cc(CN(C)c2ccc(OC(C)C)cc2)on1 ZINC000277301011 524668959 /nfs/dbraw/zinc/66/89/59/524668959.db2.gz UEXGXWUWTWBRIL-UHFFFAOYSA-N 0 0 260.337 3.407 20 10 CGCDRN COc1cnc(NCc2ccc(N3CCCCC3)cc2)nc1 ZINC000290898940 524907924 /nfs/dbraw/zinc/90/79/24/524907924.db2.gz DTLSVEAGHNFBFB-UHFFFAOYSA-N 0 0 298.390 3.088 20 10 CGCDRN c1cc2c(ncnc2NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC000299691784 526443134 /nfs/dbraw/zinc/44/31/34/526443134.db2.gz USHZKHHZKCHIBM-UHFFFAOYSA-N 0 0 293.374 3.170 20 10 CGCDRN c1csc(SCC2CCC3(CC2)OCCO3)n1 ZINC000192138977 526584772 /nfs/dbraw/zinc/58/47/72/526584772.db2.gz HIVDMJLEKPIRLC-UHFFFAOYSA-N 0 0 271.407 3.169 20 10 CGCDRN O=C(C[C@H]1C=CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000298370451 527155826 /nfs/dbraw/zinc/15/58/26/527155826.db2.gz DFYYFDFJDYFEKV-HNNXBMFYSA-N 0 0 284.403 3.259 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000264550185 527368726 /nfs/dbraw/zinc/36/87/26/527368726.db2.gz YZWBMBGHCYLRIO-UHFFFAOYSA-N 0 0 298.342 3.336 20 10 CGCDRN Cc1nccn1CCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290354548 527408486 /nfs/dbraw/zinc/40/84/86/527408486.db2.gz GJUGKHHBMCTKMY-UHFFFAOYSA-N 0 0 293.798 3.073 20 10 CGCDRN Nc1ccc(CCNC(=O)CCCc2cccs2)cc1 ZINC000040675631 527479890 /nfs/dbraw/zinc/47/98/90/527479890.db2.gz LRYRLRVGNJNDNG-UHFFFAOYSA-N 0 0 288.416 3.012 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)C2CC2)c1 ZINC000728981788 571852367 /nfs/dbraw/zinc/85/23/67/571852367.db2.gz DHOJNPNWKAUXMM-MNOVXSKESA-N 0 0 277.364 3.014 20 10 CGCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000729050529 571863866 /nfs/dbraw/zinc/86/38/66/571863866.db2.gz WWKVCTABMBRQMK-HIFRSBDPSA-N 0 0 290.407 3.406 20 10 CGCDRN CC(C)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000729050533 571863969 /nfs/dbraw/zinc/86/39/69/571863969.db2.gz WWKVCTABMBRQMK-ZFWWWQNUSA-N 0 0 290.407 3.406 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCC2)cc1 ZINC000730554750 572362755 /nfs/dbraw/zinc/36/27/55/572362755.db2.gz JKVOZGZZRDLXPO-UHFFFAOYSA-N 0 0 268.360 3.376 20 10 CGCDRN CCOc1ccc(N(C)Cc2occc2C(=O)OC)cc1 ZINC000739926896 572426968 /nfs/dbraw/zinc/42/69/68/572426968.db2.gz MWPSXNVCDDUFCN-UHFFFAOYSA-N 0 0 289.331 3.101 20 10 CGCDRN O=C(Nc1cccc(-c2cnco2)c1)C1=CC(=O)CS1 ZINC000731871102 572430262 /nfs/dbraw/zinc/43/02/62/572430262.db2.gz WRJAFMRUDXSRKU-UHFFFAOYSA-N 0 0 286.312 3.361 20 10 CGCDRN O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC(=O)CS1 ZINC000731867970 572433402 /nfs/dbraw/zinc/43/34/02/572433402.db2.gz FRSGBZIXRTUMLL-UHFFFAOYSA-N 0 0 291.416 3.400 20 10 CGCDRN O=C(Nc1nc(-c2ccc[nH]2)cs1)C1=CC(=O)CS1 ZINC000732262823 572454814 /nfs/dbraw/zinc/45/48/14/572454814.db2.gz FYRGCACVHUMFJD-UHFFFAOYSA-N 0 0 291.357 3.158 20 10 CGCDRN CCN(Cc1c(F)cccc1F)C(=O)C1=CC(=O)CS1 ZINC000732281784 572457826 /nfs/dbraw/zinc/45/78/26/572457826.db2.gz DORHSDBETPZLAY-UHFFFAOYSA-N 0 0 297.326 3.394 20 10 CGCDRN CC(C)(C)CCCCNC(=O)C1=CC(=O)CS1 ZINC000732286983 572459105 /nfs/dbraw/zinc/45/91/05/572459105.db2.gz KVNHVLJGINZTKE-UHFFFAOYSA-N 0 0 255.383 3.400 20 10 CGCDRN O=C(OCc1ccc(F)c(F)c1)C1=CC(=O)CS1 ZINC000732353477 572461420 /nfs/dbraw/zinc/46/14/20/572461420.db2.gz QSYNSBCWIZOUEL-UHFFFAOYSA-N 0 0 270.256 3.089 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C(C)C)ncn2)c1 ZINC000732921397 572492358 /nfs/dbraw/zinc/49/23/58/572492358.db2.gz DDKTVRYAHNMAPL-LLVKDONJSA-N 0 0 287.363 3.487 20 10 CGCDRN COc1cc(N(C)C[Si](C)(C)C)cc(OC)c1OC ZINC000741799023 572530076 /nfs/dbraw/zinc/53/00/76/572530076.db2.gz SGPUWMSQURLUNT-UHFFFAOYSA-N 0 0 283.444 3.026 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cnccc2C)cc1 ZINC000741906437 572540967 /nfs/dbraw/zinc/54/09/67/572540967.db2.gz LKRGTSJOSBANKP-UHFFFAOYSA-N 0 0 297.402 3.166 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000742379303 572571540 /nfs/dbraw/zinc/57/15/40/572571540.db2.gz UWYOHQMCKPVMNX-SGMGOOAPSA-N 0 0 290.363 3.359 20 10 CGCDRN CCc1cc(NCCCSc2nccs2)ncn1 ZINC000733993823 572622317 /nfs/dbraw/zinc/62/23/17/572622317.db2.gz FDNKPDSZZAJGMN-UHFFFAOYSA-N 0 0 280.422 3.090 20 10 CGCDRN Fc1cccc(NNC(=S)Nc2ccccc2F)c1F ZINC000743006220 572630775 /nfs/dbraw/zinc/63/07/75/572630775.db2.gz YJEPFRJCRTVJGK-UHFFFAOYSA-N 0 0 297.305 3.417 20 10 CGCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(C)s1 ZINC000743260179 572643892 /nfs/dbraw/zinc/64/38/92/572643892.db2.gz YVPNBWBPJSAGMH-UHFFFAOYSA-N 0 0 297.401 3.180 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cnccc1C ZINC000743329107 572647703 /nfs/dbraw/zinc/64/77/03/572647703.db2.gz PWODZRFNNLIKRV-UHFFFAOYSA-N 0 0 284.359 3.148 20 10 CGCDRN CC(C)SCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743718762 572680350 /nfs/dbraw/zinc/68/03/50/572680350.db2.gz RPXMIPJGVPEBKV-UHFFFAOYSA-N 0 0 293.432 3.029 20 10 CGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Sc1ccccc1 ZINC000743731642 572680509 /nfs/dbraw/zinc/68/05/09/572680509.db2.gz TVVUNLILLGTDKJ-JTQLQIEISA-N 0 0 293.413 3.364 20 10 CGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC000743789539 572683638 /nfs/dbraw/zinc/68/36/38/572683638.db2.gz NMRARJXZGGAGCV-QMMMGPOBSA-N 0 0 297.326 3.265 20 10 CGCDRN Cc1cc(NCc2ccc(N(C)C)cc2)nc(C2CC2)n1 ZINC000734835170 572688900 /nfs/dbraw/zinc/68/89/00/572688900.db2.gz QGPYSHRMOZDWND-UHFFFAOYSA-N 0 0 282.391 3.341 20 10 CGCDRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000735704129 572738253 /nfs/dbraw/zinc/73/82/53/572738253.db2.gz QFLJNXVOYZHYRB-MFKMUULPSA-N 0 0 297.420 3.025 20 10 CGCDRN C[C@@H](Sc1nccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736190349 572771251 /nfs/dbraw/zinc/77/12/51/572771251.db2.gz DEKSWMXXUWJDPP-MRVPVSSYSA-N 0 0 289.389 3.177 20 10 CGCDRN CCN(C[C@H](O)c1cccc(F)c1)c1ccc(OC)cc1 ZINC000746109208 572853278 /nfs/dbraw/zinc/85/32/78/572853278.db2.gz MMPOFNMXIVIBTC-KRWDZBQOSA-N 0 0 289.350 3.394 20 10 CGCDRN CCN(Cc1nc(C(C)(C)C)no1)c1ccc(OC)cc1 ZINC000746109990 572853458 /nfs/dbraw/zinc/85/34/58/572853458.db2.gz ZCDLAYVFIKEIEF-UHFFFAOYSA-N 0 0 289.379 3.402 20 10 CGCDRN CCN(Cc1occc1C(=O)OC)c1ccc(OC)cc1 ZINC000746109808 572853738 /nfs/dbraw/zinc/85/37/38/572853738.db2.gz WZYBBCZPMAQTMA-UHFFFAOYSA-N 0 0 289.331 3.101 20 10 CGCDRN CCc1noc(CN(CC(C)C)c2ccc(OC)cc2)n1 ZINC000746169960 572858693 /nfs/dbraw/zinc/85/86/93/572858693.db2.gz IXLOGEZXVWLZCZ-UHFFFAOYSA-N 0 0 289.379 3.303 20 10 CGCDRN COc1ccc(N(C)Cc2cnccc2C)cc1OC ZINC000746451402 572870877 /nfs/dbraw/zinc/87/08/77/572870877.db2.gz YPPXKYWJCZNCDV-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CCC[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746718899 572893405 /nfs/dbraw/zinc/89/34/05/572893405.db2.gz QWBUMUOCSWKXJN-ZDUSSCGKSA-N 0 0 289.423 3.057 20 10 CGCDRN FC(F)(F)CNc1nnc(Sc2nccs2)s1 ZINC000747088577 572909043 /nfs/dbraw/zinc/90/90/43/572909043.db2.gz WBPSAVSQAZLHKB-UHFFFAOYSA-N 0 0 298.340 3.120 20 10 CGCDRN CCCN(CC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000748282000 572972246 /nfs/dbraw/zinc/97/22/46/572972246.db2.gz SMHKRVPJSTWOLB-VQHVLOKHSA-N 0 0 292.335 3.017 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccccc2O)cc1F ZINC000748437852 572976802 /nfs/dbraw/zinc/97/68/02/572976802.db2.gz AIBHLACHZLESEK-UHFFFAOYSA-N 0 0 274.295 3.161 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccc(F)c(F)c1F ZINC000748438580 572976829 /nfs/dbraw/zinc/97/68/29/572976829.db2.gz LTWGFTDWIXSDMY-UHFFFAOYSA-N 0 0 296.248 3.131 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccc2c(c1)CCC2 ZINC000748439086 572976832 /nfs/dbraw/zinc/97/68/32/572976832.db2.gz UPKVMIVQVCTGNH-UHFFFAOYSA-N 0 0 282.343 3.203 20 10 CGCDRN Cc1ccc(C)c(NC(=O)NCc2ccccc2O)c1 ZINC000748438819 572976883 /nfs/dbraw/zinc/97/68/83/572976883.db2.gz QTPWTLJBIYOSSC-UHFFFAOYSA-N 0 0 270.332 3.331 20 10 CGCDRN Cc1ccc(CNC(=O)NCc2ccccc2O)c(C)c1 ZINC000748461351 572978013 /nfs/dbraw/zinc/97/80/13/572978013.db2.gz WGUXXZAYZIYIEX-UHFFFAOYSA-N 0 0 284.359 3.008 20 10 CGCDRN CC(C)CC[C@H](C)NC(=O)NCc1ccccc1O ZINC000748462244 572978084 /nfs/dbraw/zinc/97/80/84/572978084.db2.gz CWMLFQHBBTVKIV-LBPRGKRZSA-N 0 0 264.369 3.016 20 10 CGCDRN C[C@H]1c2ccccc2CCN1C(=O)C1=CC(=O)CS1 ZINC000748505319 572979512 /nfs/dbraw/zinc/97/95/12/572979512.db2.gz PEURKJMLMIDSHK-JTQLQIEISA-N 0 0 273.357 3.213 20 10 CGCDRN CCOc1ccc(N(C)CCCCCCO)cc1 ZINC000750185542 573100086 /nfs/dbraw/zinc/10/00/86/573100086.db2.gz MQYOXOVOYUDCPE-UHFFFAOYSA-N 0 0 251.370 3.074 20 10 CGCDRN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000387807676 599841288 /nfs/dbraw/zinc/84/12/88/599841288.db2.gz RFSNQVKLXUZSRP-AWEZNQCLSA-N 0 0 299.370 3.375 20 10 CGCDRN CCn1cc(/C=C2/c3cc(C)ccc3N(C)C2=O)c(C)n1 ZINC000899377665 620674487 /nfs/dbraw/zinc/67/44/87/620674487.db2.gz CSRLQWBXKYOLCD-DHDCSXOGSA-N 0 0 281.359 3.037 20 10 CGCDRN CC1(C)CCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890759511 617815211 /nfs/dbraw/zinc/81/52/11/617815211.db2.gz LXIXSFCVGRKXFF-NSHDSACASA-N 0 0 281.783 3.488 20 10 CGCDRN COC(=O)c1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071406958 617963029 /nfs/dbraw/zinc/96/30/29/617963029.db2.gz PHMKIVKBDQYSRC-UHFFFAOYSA-N 0 0 271.316 3.099 20 10 CGCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC000177658994 617986294 /nfs/dbraw/zinc/98/62/94/617986294.db2.gz IKLBAMSHPKRXBK-UHFFFAOYSA-N 0 0 271.316 3.275 20 10 CGCDRN CCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000177675031 617999961 /nfs/dbraw/zinc/99/99/61/617999961.db2.gz BKSYCHRVYNRDDV-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN CCN(Cc1nccn1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891437223 618205069 /nfs/dbraw/zinc/20/50/69/618205069.db2.gz UFSZXNKLIFISDL-UHFFFAOYSA-N 0 0 298.434 3.306 20 10 CGCDRN CCC(CC)NC(=O)NCc1cccc(Cl)c1O ZINC000891452358 618225622 /nfs/dbraw/zinc/22/56/22/618225622.db2.gz HEKUVMSSIFCGJU-UHFFFAOYSA-N 0 0 270.760 3.033 20 10 CGCDRN CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000308688400 618342200 /nfs/dbraw/zinc/34/22/00/618342200.db2.gz CZMOHCOTSIEKBV-NSHDSACASA-N 0 0 269.360 3.387 20 10 CGCDRN Cc1cc(NCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000043569979 618610079 /nfs/dbraw/zinc/61/00/79/618610079.db2.gz AFGSICJSRVQDCO-UHFFFAOYSA-N 0 0 258.277 3.221 20 10 CGCDRN COc1ccccc1NCc1ccc(OC)c(OC)c1O ZINC000892250085 618611790 /nfs/dbraw/zinc/61/17/90/618611790.db2.gz AQMVWGBLCNSIJC-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000235344608 618770913 /nfs/dbraw/zinc/77/09/13/618770913.db2.gz IZJJGFALCQGCCC-GRYCIOLGSA-N 0 0 251.345 3.398 20 10 CGCDRN C[C@H](O)c1cccc(NCCCSc2nccs2)n1 ZINC000892515396 618837965 /nfs/dbraw/zinc/83/79/65/618837965.db2.gz PRZCECSTNRZXKJ-JTQLQIEISA-N 0 0 295.433 3.186 20 10 CGCDRN COC1([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000840884436 618871948 /nfs/dbraw/zinc/87/19/48/618871948.db2.gz MRAFXCOROQAORO-GHMZBOCLSA-N 0 0 267.344 3.140 20 10 CGCDRN CSCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162667738 618881617 /nfs/dbraw/zinc/88/16/17/618881617.db2.gz BZRILEADDGNYKB-SECBINFHSA-N 0 0 259.802 3.277 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(F)c(F)c1F ZINC000176831127 618887228 /nfs/dbraw/zinc/88/72/28/618887228.db2.gz DRFVNXTWIMJLIZ-UHFFFAOYSA-N 0 0 295.260 3.082 20 10 CGCDRN Cc1ccc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180580363 619017537 /nfs/dbraw/zinc/01/75/37/619017537.db2.gz NAEGTSSHSZLZFA-SOFGYWHQSA-N 0 0 283.327 3.367 20 10 CGCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2CC(C)C)c(O)c1O ZINC000182599245 619038333 /nfs/dbraw/zinc/03/83/33/619038333.db2.gz XPPQLHHKOHQIJP-CYBMUJFWSA-N 0 0 291.391 3.447 20 10 CGCDRN CCc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186433405 619070152 /nfs/dbraw/zinc/07/01/52/619070152.db2.gz PJKKFXTVIZXPJZ-GFCCVEGCSA-N 0 0 299.370 3.021 20 10 CGCDRN Cc1cccc(CNc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000317304589 619247667 /nfs/dbraw/zinc/24/76/67/619247667.db2.gz MXCHBGSLIQPFNY-UHFFFAOYSA-N 0 0 296.370 3.205 20 10 CGCDRN COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccccc2O)c1 ZINC000840973359 619300746 /nfs/dbraw/zinc/30/07/46/619300746.db2.gz KUFOHDQFBWDIHZ-RDJZCZTQSA-N 0 0 283.371 3.294 20 10 CGCDRN COc1ccc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c(O)c1OC ZINC000894178407 619407177 /nfs/dbraw/zinc/40/71/77/619407177.db2.gz NIKZXMRRZBVSCR-CYBMUJFWSA-N 0 0 293.407 3.420 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1[O-] ZINC000185377874 625354149 /nfs/dbraw/zinc/35/41/49/625354149.db2.gz VPNOHNXAZJZLDJ-SNVBAGLBSA-N 0 0 288.297 3.393 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(F)cc2C)cc1 ZINC000895138877 619750335 /nfs/dbraw/zinc/75/03/35/619750335.db2.gz SUZPHYRORVYXAV-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN COc1cc(C)cc(CN(C)c2cccc(O)c2)c1O ZINC000895358374 619811532 /nfs/dbraw/zinc/81/15/32/619811532.db2.gz VPAXZQSJRNJLPW-UHFFFAOYSA-N 0 0 273.332 3.051 20 10 CGCDRN CN(C)c1ccc(/C=C/CN(C)Cc2ccns2)cc1 ZINC000895452351 619832393 /nfs/dbraw/zinc/83/23/93/619832393.db2.gz JYHDQPHOWOBWCZ-SNAWJCMRSA-N 0 0 287.432 3.354 20 10 CGCDRN CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185545894 625374739 /nfs/dbraw/zinc/37/47/39/625374739.db2.gz ZLBDOFIPKGNMJO-GFCCVEGCSA-N 0 0 291.370 3.235 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000895680522 619872198 /nfs/dbraw/zinc/87/21/98/619872198.db2.gz MTUCLQWZXWWYFS-CABCVRRESA-N 0 0 299.773 3.376 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847216 619895920 /nfs/dbraw/zinc/89/59/20/619895920.db2.gz NBISRYUNVZUYJN-HZMBPMFUSA-N 0 0 299.773 3.186 20 10 CGCDRN COc1ccc(CNc2cnc(C)c(C)c2)c(O)c1OC ZINC000896021977 619932722 /nfs/dbraw/zinc/93/27/22/619932722.db2.gz PTQJHSXZXHIJGD-UHFFFAOYSA-N 0 0 288.347 3.033 20 10 CGCDRN CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896644478 620040436 /nfs/dbraw/zinc/04/04/36/620040436.db2.gz WPLGVUGZGRURNF-SJKOYZFVSA-N 0 0 289.350 3.397 20 10 CGCDRN CC(C)(C)c1coc(CNCc2c(O)cccc2F)n1 ZINC000896641625 620041994 /nfs/dbraw/zinc/04/19/94/620041994.db2.gz NYOPFDZREXCGEC-UHFFFAOYSA-N 0 0 278.327 3.107 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCCO1 ZINC000896923809 620103969 /nfs/dbraw/zinc/10/39/69/620103969.db2.gz ISAXJOZRAXEBOR-CQSZACIVSA-N 0 0 287.762 3.234 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCC(C)(C)C2)c1 ZINC000179063582 620185527 /nfs/dbraw/zinc/18/55/27/620185527.db2.gz LSENUEHNBVFFIW-GFCCVEGCSA-N 0 0 291.391 3.233 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C1=CCCCCC1 ZINC000928707692 620207976 /nfs/dbraw/zinc/20/79/76/620207976.db2.gz GSRIYDMDJRJGHC-UHFFFAOYSA-N 0 0 263.312 3.038 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(C2CC2)cn1 ZINC000897712117 620422389 /nfs/dbraw/zinc/42/23/89/620422389.db2.gz KMYKFGVCMFOXOG-UHFFFAOYSA-N 0 0 270.332 3.285 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCCC2(CC2)C1)c1ccccc1O ZINC000897762528 620424230 /nfs/dbraw/zinc/42/42/30/620424230.db2.gz PVVVJOKXUVEFMG-OLZOCXBDSA-N 0 0 288.391 3.475 20 10 CGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cncs1 ZINC000897933546 620448572 /nfs/dbraw/zinc/44/85/72/620448572.db2.gz ZNHPMQQCNOSAHO-ZETCQYMHSA-N 0 0 286.759 3.492 20 10 CGCDRN CCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897950113 620453799 /nfs/dbraw/zinc/45/37/99/620453799.db2.gz UWRYYVIZJQYWCB-UHFFFAOYSA-N 0 0 291.372 3.375 20 10 CGCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000897969279 620459457 /nfs/dbraw/zinc/45/94/57/620459457.db2.gz IEDGFHQNXVIHBB-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000898215571 620488659 /nfs/dbraw/zinc/48/86/59/620488659.db2.gz NYXBTGYXXZUKFJ-CHWSQXEVSA-N 0 0 283.799 3.483 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1c([O-])cccc1F ZINC000927068645 620569841 /nfs/dbraw/zinc/56/98/41/620569841.db2.gz TZBPFPUYWYMAQR-XTQGRXLLSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000899181604 620623878 /nfs/dbraw/zinc/62/38/78/620623878.db2.gz HAGVJIUZHXMNBE-QWHCGFSZSA-N 0 0 289.375 3.061 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCc3cnns3)cc12 ZINC000902442840 621321554 /nfs/dbraw/zinc/32/15/54/621321554.db2.gz FKLWZYLFRBZJQP-UHFFFAOYSA-N 0 0 273.361 3.226 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cncs1)c1c([O-])cccc1F ZINC000903305376 621679242 /nfs/dbraw/zinc/67/92/42/621679242.db2.gz LKUGVBMVONEQSS-DTWKUNHWSA-N 0 0 266.341 3.400 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1cc(F)cc(F)c1[O-] ZINC000903384218 621724693 /nfs/dbraw/zinc/72/46/93/621724693.db2.gz UYHKWRNPSNLZPP-QMTHXVAHSA-N 0 0 297.345 3.423 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2CCSC(C)(C)C2)c1O ZINC000083417760 625517053 /nfs/dbraw/zinc/51/70/53/625517053.db2.gz LVFTYHHYACUMHA-UHFFFAOYSA-N 0 0 297.395 3.061 20 10 CGCDRN Nc1ccc(Cc2noc(C[C@H]3CC=CCC3)n2)cc1 ZINC000904502628 621927124 /nfs/dbraw/zinc/92/71/24/621927124.db2.gz ARGUTLTWICOXIF-LBPRGKRZSA-N 0 0 269.348 3.141 20 10 CGCDRN C(=C\c1ccc(N2CCOCC2)cc1)\c1nccs1 ZINC000905071840 622036463 /nfs/dbraw/zinc/03/64/63/622036463.db2.gz UXKMLDWVCFBXHQ-UTCJRWHESA-N 0 0 272.373 3.150 20 10 CGCDRN OC1CCN(c2ccc(/C=C\c3nccs3)cc2)CC1 ZINC000905074751 622036856 /nfs/dbraw/zinc/03/68/56/622036856.db2.gz YABHXWRTIRLHQE-UTCJRWHESA-N 0 0 286.400 3.275 20 10 CGCDRN CC[C@H](CC(=O)NCc1ccc(O)cc1O)C(C)(C)C ZINC000910954925 622510056 /nfs/dbraw/zinc/51/00/56/622510056.db2.gz AZGCPNJLMLOJIQ-GFCCVEGCSA-N 0 0 279.380 3.176 20 10 CGCDRN CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC000911592029 622540580 /nfs/dbraw/zinc/54/05/80/622540580.db2.gz OTZGUGCFVCJOSJ-UHFFFAOYSA-N 0 0 279.361 3.183 20 10 CGCDRN CN(C(=O)[C@@H]1CCCc2ccccc21)c1ccc(N)cc1 ZINC000054668415 622562746 /nfs/dbraw/zinc/56/27/46/622562746.db2.gz DTZIODSQBBCFAV-QGZVFWFLSA-N 0 0 280.371 3.352 20 10 CGCDRN CCOc1ccc(N(C)CC(=O)N(C(C)C)C(C)C)cc1 ZINC000150734098 622658583 /nfs/dbraw/zinc/65/85/83/622658583.db2.gz WHBVGRAEPBLHHJ-UHFFFAOYSA-N 0 0 292.423 3.167 20 10 CGCDRN COCCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000150867851 622688203 /nfs/dbraw/zinc/68/82/03/622688203.db2.gz WIFDCNIBDZHGPY-UHFFFAOYSA-N 0 0 293.338 3.470 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCC=CCCC2)c1 ZINC000913000403 622722976 /nfs/dbraw/zinc/72/29/76/622722976.db2.gz IPUURRLBZVBPFX-AWEZNQCLSA-N 0 0 273.376 3.453 20 10 CGCDRN CCOc1ccc(N(C)CCCOC(C)C)cc1 ZINC000157311682 622898833 /nfs/dbraw/zinc/89/88/33/622898833.db2.gz BVEYEJBXPOMFBJ-UHFFFAOYSA-N 0 0 251.370 3.337 20 10 CGCDRN CN1CCCc2cc(CNC(=O)CC(C)(C)C)ccc21 ZINC000058768556 622955819 /nfs/dbraw/zinc/95/58/19/622955819.db2.gz GJFSVNNRGGIFOQ-UHFFFAOYSA-N 0 0 274.408 3.121 20 10 CGCDRN CCC(=O)Nc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000226581021 622983420 /nfs/dbraw/zinc/98/34/20/622983420.db2.gz QNVPISASZVMBBN-UHFFFAOYSA-N 0 0 288.322 3.492 20 10 CGCDRN CC1CCC(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226586199 622985363 /nfs/dbraw/zinc/98/53/63/622985363.db2.gz WUYNCCPPVREEOA-UHFFFAOYSA-N 0 0 251.345 3.447 20 10 CGCDRN C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(F)cc1[O-] ZINC000087088661 623021793 /nfs/dbraw/zinc/02/17/93/623021793.db2.gz MPCLJYVTJCQDHV-GFCCVEGCSA-N 0 0 281.371 3.267 20 10 CGCDRN Cc1cncc(NCc2cccc(Br)c2O)c1 ZINC000227603890 623025971 /nfs/dbraw/zinc/02/59/71/623025971.db2.gz XUHOPHFKQBHXRP-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CC(C)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678912 623059362 /nfs/dbraw/zinc/05/93/62/623059362.db2.gz NRJIRPNUIMAXKH-UHFFFAOYSA-N 0 0 262.397 3.147 20 10 CGCDRN COc1cc(Cl)cc(CNc2cccnc2C)c1O ZINC000228676549 623071695 /nfs/dbraw/zinc/07/16/95/623071695.db2.gz SMDAZIQYXRALRL-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)n1C ZINC000170732140 623096233 /nfs/dbraw/zinc/09/62/33/623096233.db2.gz OLGLFGPSWLCUBI-UHFFFAOYSA-N 0 0 286.375 3.092 20 10 CGCDRN Cc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000229595983 623146515 /nfs/dbraw/zinc/14/65/15/623146515.db2.gz LTMBPCPBXXUUJP-GFCCVEGCSA-N 0 0 273.380 3.208 20 10 CGCDRN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230152118 623213859 /nfs/dbraw/zinc/21/38/59/623213859.db2.gz LQKCFPLJOLGGNV-SDBXPKJASA-N 0 0 290.190 3.356 20 10 CGCDRN COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000188797641 623268432 /nfs/dbraw/zinc/26/84/32/623268432.db2.gz ZGVRIAZHHXIWDE-WDEREUQCSA-N 0 0 290.338 3.347 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)c(F)c(F)c1 ZINC000063011143 623286492 /nfs/dbraw/zinc/28/64/92/623286492.db2.gz VVRQYHBMTYUYRH-UHFFFAOYSA-N 0 0 295.260 3.082 20 10 CGCDRN COC(=O)COc1ccc(N(C)C[C@@H]2CC=CCC2)cc1 ZINC000753590975 623440382 /nfs/dbraw/zinc/44/03/82/623440382.db2.gz IEVBRDZXDTWNKU-CQSZACIVSA-N 0 0 289.375 3.031 20 10 CGCDRN Cc1nonc1CSc1ncc(C(C)(C)C)s1 ZINC000759718514 623573379 /nfs/dbraw/zinc/57/33/79/623573379.db2.gz ACHXWWYIHIUNMH-UHFFFAOYSA-N 0 0 269.395 3.424 20 10 CGCDRN CCc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000152976950 623754563 /nfs/dbraw/zinc/75/45/63/623754563.db2.gz YTVZMFXOPBBPCL-UHFFFAOYSA-N 0 0 282.387 3.245 20 10 CGCDRN CN(Cc1ccccc1O)C(=S)Nc1ccc(F)cc1 ZINC000917581743 624292296 /nfs/dbraw/zinc/29/22/96/624292296.db2.gz VDQNNBIQDMIJRI-UHFFFAOYSA-N 0 0 290.363 3.360 20 10 CGCDRN CCC/C(C)=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000920285582 624470079 /nfs/dbraw/zinc/47/00/79/624470079.db2.gz PGOMHLXEDSCATI-WYMLVPIESA-N 0 0 274.408 3.457 20 10 CGCDRN O=[N+]([O-])c1ccc(CCSc2nccs2)cc1 ZINC000064669766 624644292 /nfs/dbraw/zinc/64/42/92/624644292.db2.gz NBFHNHXQLUDPLU-UHFFFAOYSA-N 0 0 266.347 3.386 20 10 CGCDRN N#Cc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000237849294 624694765 /nfs/dbraw/zinc/69/47/65/624694765.db2.gz ZVJSMACQXPFHRH-UHFFFAOYSA-N 0 0 293.370 3.007 20 10 CGCDRN Nc1ccc(CC(=O)NC[C@@H]2CCCc3ccccc32)cc1 ZINC000237903363 624701578 /nfs/dbraw/zinc/70/15/78/624701578.db2.gz SJOMHWDZIBPTJI-INIZCTEOSA-N 0 0 294.398 3.048 20 10 CGCDRN Cc1cc(C(=O)N2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000068852444 624764246 /nfs/dbraw/zinc/76/42/46/624764246.db2.gz VPFSOKWMQBWBCF-UHFFFAOYSA-N 0 0 286.350 3.469 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C(C)(C)C)c2)cc1F ZINC000180774867 624771066 /nfs/dbraw/zinc/77/10/66/624771066.db2.gz NXRSFDNPKROTEA-UHFFFAOYSA-N 0 0 291.370 3.422 20 10 CGCDRN Cc1cccn2c(CN(C)c3ccc4c(c3)OCO4)cnc12 ZINC000180761184 624771194 /nfs/dbraw/zinc/77/11/94/624771194.db2.gz MVBSNBXRANYVIX-UHFFFAOYSA-N 0 0 295.342 3.008 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(-n3ccnc3)nc2)cc1C ZINC000181602621 624878555 /nfs/dbraw/zinc/87/85/55/624878555.db2.gz TXZGKQMAFKQMGK-UHFFFAOYSA-N 0 0 294.358 3.202 20 10 CGCDRN CCCc1csc(NC(=O)c2ccc(C)c(O)c2O)n1 ZINC000182968360 625039273 /nfs/dbraw/zinc/03/92/73/625039273.db2.gz LPNKIVXMDVQGEX-UHFFFAOYSA-N 0 0 292.360 3.068 20 10 CGCDRN CC(=O)Nc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071406077 625086049 /nfs/dbraw/zinc/08/60/49/625086049.db2.gz ZQIJWVDVAWEZPE-UHFFFAOYSA-N 0 0 270.332 3.271 20 10 CGCDRN CCCn1cc(N[C@@H](C)c2cc(C)ccc2O)cn1 ZINC000186339775 625790717 /nfs/dbraw/zinc/79/07/17/625790717.db2.gz VUABGSNYQBAFRS-LBPRGKRZSA-N 0 0 259.353 3.480 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756355990 625899021 /nfs/dbraw/zinc/89/90/21/625899021.db2.gz YFONVNXGYWQIIW-BONVTDFDSA-N 0 0 293.313 3.055 20 10 CGCDRN CC[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873723327 634473638 /nfs/dbraw/zinc/47/36/38/634473638.db2.gz KKODRKLWZBTFMP-CYBMUJFWSA-N 0 0 288.351 3.254 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H](C)F ZINC000838618898 626239532 /nfs/dbraw/zinc/23/95/32/626239532.db2.gz HYWUNTIAVFRDLO-ZDUSSCGKSA-N 0 0 295.402 3.032 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC3(C2)CCCC3)c1[O-] ZINC000839104846 626314378 /nfs/dbraw/zinc/31/43/78/626314378.db2.gz NAWDXCBBWFZPGQ-UHFFFAOYSA-N 0 0 296.754 3.330 20 10 CGCDRN CC(C)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000873961823 634498167 /nfs/dbraw/zinc/49/81/67/634498167.db2.gz HZEVYQXRJJIXDS-UHFFFAOYSA-N 0 0 288.351 3.110 20 10 CGCDRN CC(C)=C(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000751190127 626379611 /nfs/dbraw/zinc/37/96/11/626379611.db2.gz YPLWKUXBQQIVBA-UHFFFAOYSA-N 0 0 260.381 3.067 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C\SC)cc1 ZINC000751571174 626396556 /nfs/dbraw/zinc/39/65/56/626396556.db2.gz UPHWNEMTMPTGQM-QXMHVHEDSA-N 0 0 292.448 3.368 20 10 CGCDRN COc1ccc(N(C)C/C(Cl)=C\Cl)c(OC)c1 ZINC000752125068 626419631 /nfs/dbraw/zinc/41/96/31/626419631.db2.gz NAQOWSHMDINSHL-VQHVLOKHSA-N 0 0 276.163 3.459 20 10 CGCDRN CCCCc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)cc1 ZINC000752372309 626426440 /nfs/dbraw/zinc/42/64/40/626426440.db2.gz KEOXOTWWINGVIJ-XFXZXTDPSA-N 0 0 297.402 3.439 20 10 CGCDRN CCCCc1ccc(N(C)C(=O)/C=C\c2cnccn2)cc1 ZINC000752369132 626426561 /nfs/dbraw/zinc/42/65/61/626426561.db2.gz BXKBMXJMYGALFV-FLIBITNWSA-N 0 0 295.386 3.495 20 10 CGCDRN Cn1c(Cl)cnc1/C=C1\C(=O)Nc2cc(Cl)ccc21 ZINC000752887519 626441677 /nfs/dbraw/zinc/44/16/77/626441677.db2.gz OCRPTEGEGZLMJL-UITAMQMPSA-N 0 0 294.141 3.220 20 10 CGCDRN CC[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873989667 634503205 /nfs/dbraw/zinc/50/32/05/634503205.db2.gz HWECLOGSASXLJW-LLVKDONJSA-N 0 0 288.351 3.111 20 10 CGCDRN COc1ccc(N(C)CC[C@H]2CCCCO2)c(OC)c1 ZINC000754069443 626474272 /nfs/dbraw/zinc/47/42/72/626474272.db2.gz FUXNXERNQHNNOI-CYBMUJFWSA-N 0 0 279.380 3.099 20 10 CGCDRN CN(CCCOCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000754075735 626474713 /nfs/dbraw/zinc/47/47/13/626474713.db2.gz QKFFIPIVRYUMIQ-UHFFFAOYSA-N 0 0 299.370 3.458 20 10 CGCDRN CCCCOCCN(CC)c1ccc(OC)c(OC)c1 ZINC000755908738 626658854 /nfs/dbraw/zinc/65/88/54/626658854.db2.gz GFTOFXVYGDBBTB-UHFFFAOYSA-N 0 0 281.396 3.347 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](C)CCC(=O)[O-])cc1 ZINC000756313755 626691586 /nfs/dbraw/zinc/69/15/86/626691586.db2.gz WBLIXUKSHXKGME-AWEZNQCLSA-N 0 0 292.423 3.123 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000756342181 626693869 /nfs/dbraw/zinc/69/38/69/626693869.db2.gz OUFNZBRTVOGPHX-SLEUVZQESA-N 0 0 291.391 3.408 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC(=O)[O-])C(C)C)cc1 ZINC000756363132 626696341 /nfs/dbraw/zinc/69/63/41/626696341.db2.gz STQRAGGGZLDBFU-MRXNPFEDSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(F)cc1[O-] ZINC000756373172 626697745 /nfs/dbraw/zinc/69/77/45/626697745.db2.gz UOTYLLBMSLOZAB-LLVKDONJSA-N 0 0 293.313 3.400 20 10 CGCDRN CCN(CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756527105 626712791 /nfs/dbraw/zinc/71/27/91/626712791.db2.gz WKQXOSDGHMDNLA-NSHDSACASA-N 0 0 286.366 3.051 20 10 CGCDRN CSCC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756586955 626718591 /nfs/dbraw/zinc/71/85/91/626718591.db2.gz XHXLWBNXQDBADX-VHSXEESVSA-N 0 0 284.381 3.093 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756656377 626725273 /nfs/dbraw/zinc/72/52/73/626725273.db2.gz WQLCXNYWYUHTDC-UWVGGRQHSA-N 0 0 285.334 3.136 20 10 CGCDRN CC[C@@H](N[C@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000756658302 626725484 /nfs/dbraw/zinc/72/54/84/626725484.db2.gz ISWVRTRTJAAYRU-ZWNOBZJWSA-N 0 0 297.370 3.302 20 10 CGCDRN C[C@@H](O)CCCSc1ncc(-c2ccccc2)n1C ZINC000756656712 626725493 /nfs/dbraw/zinc/72/54/93/626725493.db2.gz AHZKSPHNJFRJFG-GFCCVEGCSA-N 0 0 276.405 3.340 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CCCO)c1cc(F)cc(F)c1[O-] ZINC000756664717 626725821 /nfs/dbraw/zinc/72/58/21/626725821.db2.gz PBUWBGAIFMPVKS-JTQLQIEISA-N 0 0 287.350 3.120 20 10 CGCDRN COc1ccc(NCc2cccc(Cl)c2O)cn1 ZINC000124854426 634521454 /nfs/dbraw/zinc/52/14/54/634521454.db2.gz KSMDYWBYGGORKQ-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN C/C(=C/c1ccccc1)CN(C)C(=O)c1cccc(O)c1O ZINC000757642298 626796858 /nfs/dbraw/zinc/79/68/58/626796858.db2.gz AQSVLMRCCJABCX-QBFSEMIESA-N 0 0 297.354 3.273 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000757654499 626797429 /nfs/dbraw/zinc/79/74/29/626797429.db2.gz AXWLBNWRKIDHIV-AGIUHOORSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1ccccc1F ZINC000758560425 626849473 /nfs/dbraw/zinc/84/94/73/626849473.db2.gz KVYRVFMZJZNMLD-SECBINFHSA-N 0 0 276.263 3.155 20 10 CGCDRN COc1cc(Cl)cc(CNc2ncccc2C)c1O ZINC000761197931 627024257 /nfs/dbraw/zinc/02/42/57/627024257.db2.gz HKLKTYFQFIUNJS-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874445952 634544134 /nfs/dbraw/zinc/54/41/34/634544134.db2.gz RUWFZWAUPFUJSB-UMSPYCQHSA-N 0 0 288.351 3.158 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000763482301 627160214 /nfs/dbraw/zinc/16/02/14/627160214.db2.gz YMQRAWXDBUVHEB-LBPRGKRZSA-N 0 0 289.762 3.008 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cncnc2)cc1 ZINC000767150824 627384959 /nfs/dbraw/zinc/38/49/59/627384959.db2.gz GGSVYJDIJNXSSD-UHFFFAOYSA-N 0 0 292.342 3.136 20 10 CGCDRN CCOC(CN1CCCCc2cc(OC)ccc21)OCC ZINC000767820226 627439173 /nfs/dbraw/zinc/43/91/73/627439173.db2.gz BPMIWMLCPYUATH-UHFFFAOYSA-N 0 0 293.407 3.237 20 10 CGCDRN O=C1N[C@H](c2cc(Cl)cc(F)c2O)Nc2ccccc21 ZINC000768265998 627471522 /nfs/dbraw/zinc/47/15/22/627471522.db2.gz LOVKLHPUAQJTFI-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN O=C(N[C@H]1CCCc2sccc21)C1=CC(=O)CS1 ZINC000768729023 627495403 /nfs/dbraw/zinc/49/54/03/627495403.db2.gz HSQZDSIOQXUMRN-JTQLQIEISA-N 0 0 279.386 3.323 20 10 CGCDRN CCN(CC)c1ccc(CN2CCOC(C)(C)C2)cc1F ZINC000768841442 627503523 /nfs/dbraw/zinc/50/35/23/627503523.db2.gz HTFQOKJTXIJCGL-UHFFFAOYSA-N 0 0 294.414 3.283 20 10 CGCDRN CC(C)(C(=O)NCc1ccccc1O)c1ccccc1F ZINC000769000643 627515003 /nfs/dbraw/zinc/51/50/03/627515003.db2.gz FXDVKWHYAISDIR-UHFFFAOYSA-N 0 0 287.334 3.125 20 10 CGCDRN CCN(CC)c1ccc(CN(C)CC(F)F)cc1F ZINC000769120271 627524254 /nfs/dbraw/zinc/52/42/54/627524254.db2.gz JNVUPEVMKYAOQZ-UHFFFAOYSA-N 0 0 274.330 3.369 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H](F)c1ccccc1 ZINC000769596717 627568414 /nfs/dbraw/zinc/56/84/14/627568414.db2.gz FDPONOCQTPAXRY-HNNXBMFYSA-N 0 0 273.307 3.061 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)c(O)c1O ZINC000770475414 627621197 /nfs/dbraw/zinc/62/11/97/627621197.db2.gz FQPBESUQELGXFO-UHFFFAOYSA-N 0 0 295.697 3.451 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000770509299 627623607 /nfs/dbraw/zinc/62/36/07/627623607.db2.gz KRTAAFKLACLFJQ-HNNXBMFYSA-N 0 0 254.333 3.124 20 10 CGCDRN CCc1nnc(CN(CC(C)C)c2ccc(OC)cc2)[nH]1 ZINC000771762503 627731235 /nfs/dbraw/zinc/73/12/35/627731235.db2.gz KIXVBCWRNCOOPY-UHFFFAOYSA-N 0 0 288.395 3.038 20 10 CGCDRN CCC1(O)CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000771876438 627738932 /nfs/dbraw/zinc/73/89/32/627738932.db2.gz XLWUNCKUEYHEAA-UHFFFAOYSA-N 0 0 283.799 3.219 20 10 CGCDRN Cc1cc(C)cc(COC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000772768327 627820260 /nfs/dbraw/zinc/82/02/60/627820260.db2.gz HSOLYWFFZIEJJO-XQRVVYSFSA-N 0 0 298.338 3.471 20 10 CGCDRN C[C@H](NC(=O)[C@H]1Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772998646 627839576 /nfs/dbraw/zinc/83/95/76/627839576.db2.gz JYBXBUINAKCGAL-UGSOOPFHSA-N 0 0 294.398 3.270 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(N(C)C)cc1 ZINC000773015471 627842630 /nfs/dbraw/zinc/84/26/30/627842630.db2.gz OUFZGNFVQKGWKT-SNVBAGLBSA-N 0 0 292.766 3.490 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000773407357 627881161 /nfs/dbraw/zinc/88/11/61/627881161.db2.gz KIUKIOWJKWSKQU-RISCZKNCSA-N 0 0 291.391 3.404 20 10 CGCDRN CC(C)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773620691 627900436 /nfs/dbraw/zinc/90/04/36/627900436.db2.gz VOWZFGKTPFGLLU-CYBMUJFWSA-N 0 0 277.412 3.111 20 10 CGCDRN CCN(C)c1ccc(CN(C)Cc2cc(C)on2)cc1 ZINC000773731532 627908517 /nfs/dbraw/zinc/90/85/17/627908517.db2.gz OGEBDVBILOIIPK-UHFFFAOYSA-N 0 0 273.380 3.071 20 10 CGCDRN COC[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774095104 627944526 /nfs/dbraw/zinc/94/45/26/627944526.db2.gz BRRHPJPYLLNTLD-JGVFFNPUSA-N 0 0 278.179 3.385 20 10 CGCDRN CCC(C)(C)NC(=S)NCc1ccc(N(C)C)cc1C ZINC000774184605 627958524 /nfs/dbraw/zinc/95/85/24/627958524.db2.gz SMYBNZPLXZLSOO-UHFFFAOYSA-N 0 0 293.480 3.214 20 10 CGCDRN OCc1cc2ccccc2nc1NCc1ccccc1O ZINC000774522854 628000800 /nfs/dbraw/zinc/00/08/00/628000800.db2.gz AOKRLEKPMLEQLI-UHFFFAOYSA-N 0 0 280.327 3.045 20 10 CGCDRN CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(C)C ZINC000774838120 628036830 /nfs/dbraw/zinc/03/68/30/628036830.db2.gz ASPCJNZHCXLRMN-UHFFFAOYSA-N 0 0 296.367 3.177 20 10 CGCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775175364 628068589 /nfs/dbraw/zinc/06/85/89/628068589.db2.gz HTRVLXUPQBRYLW-OAHLLOKOSA-N 0 0 283.799 3.173 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cn(C)nc1C(C)(C)C ZINC000775631666 628116840 /nfs/dbraw/zinc/11/68/40/628116840.db2.gz UGOUVFJFERORSR-UHFFFAOYSA-N 0 0 299.418 3.289 20 10 CGCDRN CCCCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648087 628119022 /nfs/dbraw/zinc/11/90/22/628119022.db2.gz QKEDWAJLUDBJEV-UHFFFAOYSA-N 0 0 289.778 3.169 20 10 CGCDRN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776173693 628176250 /nfs/dbraw/zinc/17/62/50/628176250.db2.gz GEYIFGWWIWVPBJ-LLVKDONJSA-N 0 0 291.778 3.472 20 10 CGCDRN CC(C)[C@H]1CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776239270 628183702 /nfs/dbraw/zinc/18/37/02/628183702.db2.gz OKWSNYUOQYLTOY-CZUORRHYSA-N 0 0 289.423 3.254 20 10 CGCDRN C[C@@H](NC(=O)NC(C)(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000776240621 628183771 /nfs/dbraw/zinc/18/37/71/628183771.db2.gz ZQXVIPUGEJFYEB-GFCCVEGCSA-N 0 0 289.423 3.301 20 10 CGCDRN COc1ccc2c(c1)N(Cc1cc(C)ccc1O)C[C@H](C)O2 ZINC000776525067 628217094 /nfs/dbraw/zinc/21/70/94/628217094.db2.gz UQNYAITWCQBHIU-ZDUSSCGKSA-N 0 0 299.370 3.497 20 10 CGCDRN Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(O)c2O)c1 ZINC000776652530 628224480 /nfs/dbraw/zinc/22/44/80/628224480.db2.gz NLZQCXMCMOMZMN-GFCCVEGCSA-N 0 0 285.343 3.206 20 10 CGCDRN CCOc1ccc(O)c(CNc2cnn(C(C)C)c2)c1 ZINC000777465419 628274315 /nfs/dbraw/zinc/27/43/15/628274315.db2.gz MFIOIKBNJRHJEC-UHFFFAOYSA-N 0 0 275.352 3.180 20 10 CGCDRN COc1ccc(N(C)CC(=O)c2cc(C)[nH]c2C)cc1F ZINC000777601033 628287975 /nfs/dbraw/zinc/28/79/75/628287975.db2.gz UERRPPZFNOIBIO-UHFFFAOYSA-N 0 0 290.338 3.098 20 10 CGCDRN CN1C(=O)/C(=C/c2ccc3cnccc3c2)SC1=S ZINC000778249041 628337716 /nfs/dbraw/zinc/33/77/16/628337716.db2.gz UIHNAUWKWWGMNE-GHXNOFRVSA-N 0 0 286.381 3.066 20 10 CGCDRN C/C(=C/c1ccc(C)cc1)C(=O)NCc1ccccc1O ZINC000778914432 628378131 /nfs/dbraw/zinc/37/81/31/628378131.db2.gz NXHDHXQZTLJMGH-KAMYIIQDSA-N 0 0 281.355 3.420 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC=CCC1 ZINC000779159642 628391756 /nfs/dbraw/zinc/39/17/56/628391756.db2.gz OKYZXVIFEALSLJ-UHFFFAOYSA-N 0 0 258.148 3.461 20 10 CGCDRN CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])O1 ZINC000779216916 628394921 /nfs/dbraw/zinc/39/49/21/628394921.db2.gz YJGVJHRAXUFZGM-NSHDSACASA-N 0 0 287.762 3.232 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1(C)C ZINC000779432074 628413348 /nfs/dbraw/zinc/41/33/48/628413348.db2.gz JRYFSVAKFLWTQF-BIGNPOOSSA-N 0 0 283.799 3.195 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1ccc(C)nc1 ZINC000779472786 628415091 /nfs/dbraw/zinc/41/50/91/628415091.db2.gz IZWCGIYMNKMZGP-QXMHVHEDSA-N 0 0 296.370 3.465 20 10 CGCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(O)c2)C1 ZINC000779663912 628419470 /nfs/dbraw/zinc/41/94/70/628419470.db2.gz SIROLYKTYOZKBX-KTRBRXNASA-N 0 0 294.354 3.026 20 10 CGCDRN Cc1ccccc1C1=CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000780738401 628512270 /nfs/dbraw/zinc/51/22/70/628512270.db2.gz CECMLNJYQHGPMM-UHFFFAOYSA-N 0 0 285.368 3.302 20 10 CGCDRN COc1cc(O)c(CN2CCc3ccc(C)cc32)cc1OC ZINC000780773252 628516048 /nfs/dbraw/zinc/51/60/48/628516048.db2.gz OQHBGWSNHNOLCF-UHFFFAOYSA-N 0 0 299.370 3.281 20 10 CGCDRN COc1cccc(O)c1CN1CCc2cc(C)ccc21 ZINC000780769604 628516194 /nfs/dbraw/zinc/51/61/94/628516194.db2.gz XIKCWWPMYIMRMG-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000780788886 628518644 /nfs/dbraw/zinc/51/86/44/628518644.db2.gz IHRFKDWJFAXPIG-UKRRQHHQSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc3ccccc3n2)c(O)c1O ZINC000780892462 628522816 /nfs/dbraw/zinc/52/28/16/628522816.db2.gz GITIYUUYXNDLFS-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCCCC2)c1 ZINC000781910150 628605138 /nfs/dbraw/zinc/60/51/38/628605138.db2.gz LUGPYYSZEVCXHD-UHFFFAOYSA-N 0 0 284.197 3.449 20 10 CGCDRN Cc1cc(CCNC(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC000781929399 628605991 /nfs/dbraw/zinc/60/59/91/628605991.db2.gz CXWZXRBCWHKWDF-UHFFFAOYSA-N 0 0 297.402 3.098 20 10 CGCDRN C[C@H](CO)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781962690 628607855 /nfs/dbraw/zinc/60/78/55/628607855.db2.gz CPNQAVDTRAFVLM-HNNXBMFYSA-N 0 0 285.387 3.330 20 10 CGCDRN C[C@H]1CC[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000782129514 628617116 /nfs/dbraw/zinc/61/71/16/628617116.db2.gz AKNJJENDUNXKQT-HZMBPMFUSA-N 0 0 265.378 3.106 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)[C@@H](C)[C@@H](C)O1 ZINC000783736975 628744039 /nfs/dbraw/zinc/74/40/39/628744039.db2.gz GTRPNNIQGPATMV-OUAUKWLOSA-N 0 0 269.772 3.043 20 10 CGCDRN Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783738363 628744609 /nfs/dbraw/zinc/74/46/09/628744609.db2.gz SDDNAQLSNRFMGO-TUAOUCFPSA-N 0 0 283.799 3.352 20 10 CGCDRN CCN(C[C@H]1CCO[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000785727089 628882882 /nfs/dbraw/zinc/88/28/82/628882882.db2.gz FLTUGEHALSARKA-KGLIPLIRSA-N 0 0 293.407 3.345 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)CC1 ZINC000786005778 628907413 /nfs/dbraw/zinc/90/74/13/628907413.db2.gz XMRCEJDKMQXQCG-ZJUUUORDSA-N 0 0 253.367 3.152 20 10 CGCDRN Cc1nc(Cl)ccc1NC(=O)NCc1ccccc1O ZINC000788801427 629082512 /nfs/dbraw/zinc/08/25/12/629082512.db2.gz OKKHGPALIWZBJS-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN CC(C)(C)OCCCCOC(=O)C1=CC(=O)CS1 ZINC000789050546 629099570 /nfs/dbraw/zinc/09/95/70/629099570.db2.gz VDIMWNYYQNETPD-UHFFFAOYSA-N 0 0 272.366 3.206 20 10 CGCDRN COc1ccc(N(CCC[C@@H](C)O)C(C)C)cc1F ZINC000789344636 629125909 /nfs/dbraw/zinc/12/59/09/629125909.db2.gz QXBDPGBYLLXNJB-GFCCVEGCSA-N 0 0 269.360 3.210 20 10 CGCDRN Cc1cc(Cl)cc(CN(CCO)c2ccccc2)c1O ZINC000789571204 629145728 /nfs/dbraw/zinc/14/57/28/629145728.db2.gz LNMRFCUGLGWHDU-UHFFFAOYSA-N 0 0 291.778 3.353 20 10 CGCDRN Cc1cc(-n2cccn2)ccc1NC(=O)C1=CC(=O)CS1 ZINC000789919103 629174040 /nfs/dbraw/zinc/17/40/40/629174040.db2.gz VMRFBDYVAVAHHD-UHFFFAOYSA-N 0 0 299.355 3.200 20 10 CGCDRN c1csc(SC[C@H]2COc3ccccc3O2)n1 ZINC000789916462 629174116 /nfs/dbraw/zinc/17/41/16/629174116.db2.gz XGDNEASAZSVLOO-SECBINFHSA-N 0 0 265.359 3.075 20 10 CGCDRN CN(CCC1CCCCC1)C(=O)c1c(F)ccc(O)c1O ZINC000789967535 629176657 /nfs/dbraw/zinc/17/66/57/629176657.db2.gz RWURLDBQNHCESX-UHFFFAOYSA-N 0 0 295.354 3.279 20 10 CGCDRN CC(C)CC1(CNC(=O)c2cccc(O)c2O)CCC1 ZINC000790878189 629238940 /nfs/dbraw/zinc/23/89/40/629238940.db2.gz QFVFGHUKYMDYTB-UHFFFAOYSA-N 0 0 277.364 3.044 20 10 CGCDRN CC[C@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000790912876 629240544 /nfs/dbraw/zinc/24/05/44/629240544.db2.gz IWBOUBFMVZYZMD-QWHCGFSZSA-N 0 0 262.397 3.366 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000790977718 629245579 /nfs/dbraw/zinc/24/55/79/629245579.db2.gz QXFVNTPXKDAHHT-JTQLQIEISA-N 0 0 299.773 3.376 20 10 CGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790980867 629245881 /nfs/dbraw/zinc/24/58/81/629245881.db2.gz GGTSCZQMTIWKCA-NXEZZACHSA-N 0 0 287.762 3.089 20 10 CGCDRN CC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@@H]1CC1(C)C ZINC000875675343 634720752 /nfs/dbraw/zinc/72/07/52/634720752.db2.gz SSJHJSICXZMTJR-UONOGXRCSA-N 0 0 288.391 3.242 20 10 CGCDRN CO[C@H](C)C[N@H+](Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000792166509 629342890 /nfs/dbraw/zinc/34/28/90/629342890.db2.gz SCXQEZXEFRULIE-SNVBAGLBSA-N 0 0 289.778 3.430 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000792171086 629343760 /nfs/dbraw/zinc/34/37/60/629343760.db2.gz XPVSYPILLJPDQE-GWCFXTLKSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCSCC1 ZINC000792173909 629345176 /nfs/dbraw/zinc/34/51/76/629345176.db2.gz LULGFKSNMAONLO-UHFFFAOYSA-N 0 0 275.776 3.124 20 10 CGCDRN CCn1ccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC000792182376 629345840 /nfs/dbraw/zinc/34/58/40/629345840.db2.gz CXMVAGAQADKTMP-UHFFFAOYSA-N 0 0 278.783 3.499 20 10 CGCDRN CC[C@@H](C)[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000862387182 629360037 /nfs/dbraw/zinc/36/00/37/629360037.db2.gz IJGCUEYQFKJCLW-SECBINFHSA-N 0 0 292.206 3.292 20 10 CGCDRN c1cc(N2CCCCC2)ccc1CN1CC2(C1)CCCO2 ZINC000862483104 629385614 /nfs/dbraw/zinc/38/56/14/629385614.db2.gz GEXSWCGFRVBWLC-UHFFFAOYSA-N 0 0 286.419 3.042 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CC2(C)C)c(C)n1-c1ccccn1 ZINC000839816322 629410997 /nfs/dbraw/zinc/41/09/97/629410997.db2.gz GSLZYUMLKVOBGM-AWEZNQCLSA-N 0 0 283.375 3.017 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H](C)c2ccco2)c1 ZINC000862753762 629429166 /nfs/dbraw/zinc/42/91/66/629429166.db2.gz GRJRRMTYPXTYGQ-LBPRGKRZSA-N 0 0 273.332 3.104 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2occc2C(C)C)c1 ZINC000862755441 629429862 /nfs/dbraw/zinc/42/98/62/629429862.db2.gz HGGLTVMZHKRBQK-UHFFFAOYSA-N 0 0 273.332 3.347 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000862758499 629430806 /nfs/dbraw/zinc/43/08/06/629430806.db2.gz AJYAAHLJTQKINN-UHFFFAOYSA-N 0 0 299.345 3.188 20 10 CGCDRN COCCC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000793329560 629444060 /nfs/dbraw/zinc/44/40/60/629444060.db2.gz MPBGSPALHOKJLU-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN CCO/C=C/C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863164375 629487592 /nfs/dbraw/zinc/48/75/92/629487592.db2.gz IBKYJDQBOPJEAC-ZHACJKMWSA-N 0 0 298.386 3.261 20 10 CGCDRN CO[C@H]1c2ccccc2OC[C@H]1Sc1nccs1 ZINC000863294745 629526750 /nfs/dbraw/zinc/52/67/50/629526750.db2.gz DPHBCAYEIBXBAO-NEPJUHHUSA-N 0 0 279.386 3.384 20 10 CGCDRN COc1ccc(CNC(=O)C[C@H](C)CC(C)C)c(O)c1 ZINC000794383390 629538583 /nfs/dbraw/zinc/53/85/83/629538583.db2.gz LYOUYPFKHOQCKQ-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN COc1ccc(CNC(=O)/C=C\C2CCCCC2)c(O)c1 ZINC000794379564 629538742 /nfs/dbraw/zinc/53/87/42/629538742.db2.gz QDQCRYWNCBSGEQ-YFHOEESVSA-N 0 0 289.375 3.154 20 10 CGCDRN CCC1(C(=O)NCc2ccc(OC)cc2O)CCCCC1 ZINC000794390136 629539021 /nfs/dbraw/zinc/53/90/21/629539021.db2.gz YBEIPTONCPQQIJ-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN CC(C)CCC[C@@H](C)NC(=O)CN(C)c1ccc(N)cc1 ZINC000863557865 629604358 /nfs/dbraw/zinc/60/43/58/629604358.db2.gz YCUIEEIVMOSLDY-CQSZACIVSA-N 0 0 291.439 3.036 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000795080397 629629917 /nfs/dbraw/zinc/62/99/17/629629917.db2.gz JOLSJKBIKLNGAF-UWVGGRQHSA-N 0 0 299.317 3.013 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC000795080396 629630352 /nfs/dbraw/zinc/63/03/52/629630352.db2.gz JOLSJKBIKLNGAF-NXEZZACHSA-N 0 0 299.317 3.013 20 10 CGCDRN COc1ccc(CNc2nc(C)c(C)s2)c(O)c1 ZINC000795290127 629656803 /nfs/dbraw/zinc/65/68/03/629656803.db2.gz QUIALAKPWVDLBG-UHFFFAOYSA-N 0 0 264.350 3.086 20 10 CGCDRN C[C@@H](Nc1cccc(-n2nccn2)c1)c1ccccc1O ZINC000864021598 629729151 /nfs/dbraw/zinc/72/91/51/629729151.db2.gz DZGCJOFSICPMCG-GFCCVEGCSA-N 0 0 280.331 3.146 20 10 CGCDRN CCC[C@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCOC1 ZINC000796489691 629789893 /nfs/dbraw/zinc/78/98/93/629789893.db2.gz BRXWTZLENTZFPR-AWEZNQCLSA-N 0 0 287.762 3.234 20 10 CGCDRN C[C@H]1C[C@@H]1Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000864369999 629820237 /nfs/dbraw/zinc/82/02/37/629820237.db2.gz PLGRAWGCXXNJES-CBAPKCEASA-N 0 0 262.334 3.042 20 10 CGCDRN CCCN(CC)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796778665 629831698 /nfs/dbraw/zinc/83/16/98/629831698.db2.gz IFJINGGEIYOCHO-HNNXBMFYSA-N 0 0 282.403 3.304 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796796749 629836467 /nfs/dbraw/zinc/83/64/67/629836467.db2.gz RBSGONUZSZFWHO-JMSVASOKSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@H](Nc1ccc(OC)nc1)c1ccc(F)cc1O ZINC000796857218 629849448 /nfs/dbraw/zinc/84/94/48/629849448.db2.gz RBSHSZSMFIEDOB-ZDUSSCGKSA-N 0 0 276.311 3.498 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccnc1F)c1ccc(F)cc1[O-] ZINC000796975054 629868159 /nfs/dbraw/zinc/86/81/59/629868159.db2.gz LYYABZRFIGFFAS-ZDUSSCGKSA-N 0 0 278.302 3.306 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CC(C)=C[C@@H](C)C2)cc1OC ZINC000797438775 629946141 /nfs/dbraw/zinc/94/61/41/629946141.db2.gz IMMNHHCOXGASNK-SNVBAGLBSA-N 0 0 292.335 3.014 20 10 CGCDRN CN1C(=O)/C(=C/c2cn(C3CC3)cn2)c2cc(Cl)ccc21 ZINC000865222707 630029594 /nfs/dbraw/zinc/02/95/94/630029594.db2.gz AJNHEYFVOGMQRL-VGOFMYFVSA-N 0 0 299.761 3.388 20 10 CGCDRN C[C@@H]1C[C@H]1c1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000865296300 630058542 /nfs/dbraw/zinc/05/85/42/630058542.db2.gz UXQSFIACGCTOJG-MWLCHTKSSA-N 0 0 290.342 3.010 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=CC[C@H](C)CC1 ZINC000836703383 634793334 /nfs/dbraw/zinc/79/33/34/634793334.db2.gz FYSCTIMEAFENEX-ZDUSSCGKSA-N 0 0 286.419 3.424 20 10 CGCDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC000799952000 630245758 /nfs/dbraw/zinc/24/57/58/630245758.db2.gz CHMABPCFJDGNDD-SECBINFHSA-N 0 0 292.364 3.290 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2=CC[C@@H](C)CC2)c1 ZINC000836777797 634800382 /nfs/dbraw/zinc/80/03/82/634800382.db2.gz PFNPQBAKUFJODT-VXGBXAGGSA-N 0 0 289.375 3.324 20 10 CGCDRN Cc1c[nH]cc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916509 630295078 /nfs/dbraw/zinc/29/50/78/630295078.db2.gz UIAFZSJJEWYIOG-CQSZACIVSA-N 0 0 299.418 3.059 20 10 CGCDRN Cc1[nH]ccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921171 630297228 /nfs/dbraw/zinc/29/72/28/630297228.db2.gz XJHCQSXQDFUAIZ-CYBMUJFWSA-N 0 0 299.418 3.059 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000836790529 634803413 /nfs/dbraw/zinc/80/34/13/634803413.db2.gz HWAZFJQKPHUAPG-BIYBCCJYSA-N 0 0 289.375 3.054 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCc3cc(F)ccc32)c1 ZINC000801077185 630323375 /nfs/dbraw/zinc/32/33/75/630323375.db2.gz ZZGLKZHORWQAJI-DJWKRKHSSA-N 0 0 282.318 3.132 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CC=CC1 ZINC000802245292 630387846 /nfs/dbraw/zinc/38/78/46/630387846.db2.gz IOGVCSLHNMSPCJ-UHFFFAOYSA-N 0 0 288.391 3.423 20 10 CGCDRN Oc1ccc(Cl)c(F)c1CNc1cnn2c1CCCC2 ZINC000865709295 630399512 /nfs/dbraw/zinc/39/95/12/630399512.db2.gz DWJUIQWXAQWLCJ-UHFFFAOYSA-N 0 0 295.745 3.330 20 10 CGCDRN Cc1cccc(CN2CCOc3cccc(F)c3C2)c1O ZINC000802656613 630403191 /nfs/dbraw/zinc/40/31/91/630403191.db2.gz RKFFBBMCUSKZOJ-UHFFFAOYSA-N 0 0 287.334 3.234 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(OC(F)F)nc1 ZINC000802661461 630403863 /nfs/dbraw/zinc/40/38/63/630403863.db2.gz QBXIHKGQTDPDDJ-UHFFFAOYSA-N 0 0 284.237 3.140 20 10 CGCDRN CC[C@@H](C)CCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000802782291 630411208 /nfs/dbraw/zinc/41/12/08/630411208.db2.gz QSNVXUDYHLDWCF-NEPJUHHUSA-N 0 0 279.380 3.404 20 10 CGCDRN CSc1ccccc1C(=O)N1CCSC[C@H]1C1CC1 ZINC000836857914 634817271 /nfs/dbraw/zinc/81/72/71/634817271.db2.gz FNJPMUBLUDBKJR-ZDUSSCGKSA-N 0 0 293.457 3.376 20 10 CGCDRN CC[C@H]([NH2+]Cc1cocn1)c1cccc(Cl)c1[O-] ZINC000806152997 630550250 /nfs/dbraw/zinc/55/02/50/630550250.db2.gz HDPMHZPZJNIMPE-LBPRGKRZSA-N 0 0 266.728 3.275 20 10 CGCDRN CC[C@@H]([NH2+]CCc1ccnn1C)c1cccc(Cl)c1[O-] ZINC000806160833 630551223 /nfs/dbraw/zinc/55/12/23/630551223.db2.gz VESDOWMHGKCNDW-CQSZACIVSA-N 0 0 293.798 3.063 20 10 CGCDRN CC[C@@H]([NH2+]CCC1CC(O)C1)c1cccc(Cl)c1[O-] ZINC000806161963 630551935 /nfs/dbraw/zinc/55/19/35/630551935.db2.gz QELGSASYOKSYIS-QIMFLAQGSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc(Cl)c1[O-] ZINC000806161852 630551971 /nfs/dbraw/zinc/55/19/71/630551971.db2.gz VBOHZPJEFWGVIY-RWMBFGLXSA-N 0 0 283.799 3.246 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000806169591 630553013 /nfs/dbraw/zinc/55/30/13/630553013.db2.gz NXGDOGSGQYIOIS-IINYFYTJSA-N 0 0 277.364 3.018 20 10 CGCDRN CC1(C)CC[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000806958826 630580251 /nfs/dbraw/zinc/58/02/51/630580251.db2.gz NUCXETNLKFXUHN-JTQLQIEISA-N 0 0 299.465 3.113 20 10 CGCDRN Cc1cnc(CSc2ncc(-c3ccccc3)n2C)nc1 ZINC000808017352 630618782 /nfs/dbraw/zinc/61/87/82/630618782.db2.gz SXISKBWQXAVHFD-UHFFFAOYSA-N 0 0 296.399 3.478 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000808094840 630621787 /nfs/dbraw/zinc/62/17/87/630621787.db2.gz GKLZONOKGSHGFK-CHWSQXEVSA-N 0 0 296.407 3.320 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC2(C)CCCC2)cc1F ZINC000808327477 630637514 /nfs/dbraw/zinc/63/75/14/630637514.db2.gz AUUULZGFIJWPLB-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN C[C@@H](O)c1cc(NCc2cc(F)ccc2O)ccc1F ZINC000809715840 630789556 /nfs/dbraw/zinc/78/95/56/630789556.db2.gz HGEJNJDIUFZUDU-SECBINFHSA-N 0 0 279.286 3.336 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000809778951 630805583 /nfs/dbraw/zinc/80/55/83/630805583.db2.gz YZPXAMDAPVBQQE-SECBINFHSA-N 0 0 289.803 3.418 20 10 CGCDRN CN(C)c1ccc(CNc2cccc3c2COC3=O)cc1 ZINC000809791113 630811111 /nfs/dbraw/zinc/81/11/11/630811111.db2.gz ULMPMWDWPDCGLR-UHFFFAOYSA-N 0 0 282.343 3.035 20 10 CGCDRN CCOc1ccc(COc2ccc(N(C)C)cc2)nc1 ZINC000810001579 630826542 /nfs/dbraw/zinc/82/65/42/630826542.db2.gz IKGFVGFNYYXPQQ-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CN(C)c1ccc(OCc2nccn2CC(F)(F)F)cc1 ZINC000810000823 630826625 /nfs/dbraw/zinc/82/66/25/630826625.db2.gz OKABPUVDRIDUEI-UHFFFAOYSA-N 0 0 299.296 3.090 20 10 CGCDRN Cc1ncsc1/C=C1\c2cc(C)ccc2N(C)C1=O ZINC000811699462 631112124 /nfs/dbraw/zinc/11/21/24/631112124.db2.gz UTFUJTCBMHPCDS-KPKJPENVSA-N 0 0 270.357 3.277 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(C(F)(F)F)n2)c1 ZINC000811805873 631121273 /nfs/dbraw/zinc/12/12/73/631121273.db2.gz DYNRWDIPSDXXPB-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN Oc1ccc2c(c1CNc1ccccn1)CCCC2 ZINC000811808481 631121655 /nfs/dbraw/zinc/12/16/55/631121655.db2.gz KKGUBLSKMGNXBF-UHFFFAOYSA-N 0 0 254.333 3.278 20 10 CGCDRN COc1ccccc1NC(=S)NNc1ccccc1F ZINC000812475026 631265144 /nfs/dbraw/zinc/26/51/44/631265144.db2.gz OPIHVWPYALSVPW-UHFFFAOYSA-N 0 0 291.351 3.148 20 10 CGCDRN COc1cncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC000876511924 634849121 /nfs/dbraw/zinc/84/91/21/634849121.db2.gz WUWJASKXHSFJHH-UHFFFAOYSA-N 0 0 299.418 3.097 20 10 CGCDRN COCC(C)(C)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000814178658 631538114 /nfs/dbraw/zinc/53/81/14/631538114.db2.gz YJLQTMVAJLJTJJ-UHFFFAOYSA-N 0 0 275.751 3.042 20 10 CGCDRN Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548673 632007240 /nfs/dbraw/zinc/00/72/40/632007240.db2.gz OZMIMFPHCSHCGT-MRVPVSSYSA-N 0 0 297.761 3.077 20 10 CGCDRN COCCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816555326 632011651 /nfs/dbraw/zinc/01/16/51/632011651.db2.gz AYRZWCNETTZTSB-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCO1 ZINC000816559940 632013750 /nfs/dbraw/zinc/01/37/50/632013750.db2.gz ZTEKAAIYBAMIGA-OCCSQVGLSA-N 0 0 287.762 3.232 20 10 CGCDRN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816566755 632014374 /nfs/dbraw/zinc/01/43/74/632014374.db2.gz FMTBIIFBANIETA-LLVKDONJSA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCOC1 ZINC000816566012 632014882 /nfs/dbraw/zinc/01/48/82/632014882.db2.gz IUURDUYQBJYOEL-UWVGGRQHSA-N 0 0 287.762 3.089 20 10 CGCDRN COCCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817381652 632134513 /nfs/dbraw/zinc/13/45/13/632134513.db2.gz IHPAZSMCTNJJJB-UHFFFAOYSA-N 0 0 269.772 3.356 20 10 CGCDRN CC(C)(O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817572021 632184539 /nfs/dbraw/zinc/18/45/39/632184539.db2.gz XYKZYEJPYXCVCF-UHFFFAOYSA-N 0 0 283.799 3.480 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1[O-] ZINC000817956769 632252253 /nfs/dbraw/zinc/25/22/53/632252253.db2.gz CJDHZPLOPJDVRU-LLVKDONJSA-N 0 0 274.339 3.007 20 10 CGCDRN C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961490 632257388 /nfs/dbraw/zinc/25/73/88/632257388.db2.gz ZUDNWFIPRMRCLY-RDDDGLTNSA-N 0 0 289.206 3.087 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC23CC3)c1 ZINC000818230602 632299935 /nfs/dbraw/zinc/29/99/35/632299935.db2.gz PWWBFSSMTDZMMB-LLVKDONJSA-N 0 0 282.181 3.105 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000818347154 632311696 /nfs/dbraw/zinc/31/16/96/632311696.db2.gz XPWSEEWSHDESKN-GMXABZIVSA-N 0 0 290.363 3.387 20 10 CGCDRN CC1(C)CCC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000819181497 632396657 /nfs/dbraw/zinc/39/66/57/632396657.db2.gz YHYVFXRZXXPUDX-WOLRVDTOSA-N 0 0 289.375 3.054 20 10 CGCDRN CC[C@H](C)CN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820580840 632649676 /nfs/dbraw/zinc/64/96/76/632649676.db2.gz GXGGOIAQXIGWSS-NSHDSACASA-N 0 0 290.367 3.357 20 10 CGCDRN CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820777049 632676172 /nfs/dbraw/zinc/67/61/72/632676172.db2.gz RVPUVHFBATWCHV-GWCFXTLKSA-N 0 0 288.351 3.158 20 10 CGCDRN CC(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821204474 632737745 /nfs/dbraw/zinc/73/77/45/632737745.db2.gz VLBKNSITMMWVIM-JTQLQIEISA-N 0 0 276.340 3.013 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822863928 633031883 /nfs/dbraw/zinc/03/18/83/633031883.db2.gz UZTFYNHYOYSGOL-KBPBESRZSA-N 0 0 292.398 3.334 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C[C@@H]3CC[C@H]4C[C@H]43)ccc21 ZINC000822867977 633032280 /nfs/dbraw/zinc/03/22/80/633032280.db2.gz QAFNGSMXMYTNJR-YQQAZPJKSA-N 0 0 298.430 3.121 20 10 CGCDRN C[C@@H](Nc1ncnc2c1CCCC2)c1ccccc1O ZINC000866238896 633039407 /nfs/dbraw/zinc/03/94/07/633039407.db2.gz RAAHMUBLGJYBCX-LLVKDONJSA-N 0 0 269.348 3.234 20 10 CGCDRN CC[C@@H]1CCN(c2nc(-c3ccc(O)c(O)c3)cs2)C1 ZINC000823326831 633090675 /nfs/dbraw/zinc/09/06/75/633090675.db2.gz OOSGYBOTDSYWFY-SNVBAGLBSA-N 0 0 290.388 3.458 20 10 CGCDRN CN(C)c1ccc(CN(Cc2ccncc2F)C2CC2)cc1 ZINC000823399761 633098895 /nfs/dbraw/zinc/09/88/95/633098895.db2.gz QGRLHJVWHLNHBC-UHFFFAOYSA-N 0 0 299.393 3.451 20 10 CGCDRN CCn1cc(N(CC(C)C)C(=O)/C=C/c2cccnc2)cn1 ZINC000823430567 633103643 /nfs/dbraw/zinc/10/36/43/633103643.db2.gz OIJHSSRIXOXIBM-BQYQJAHWSA-N 0 0 298.390 3.000 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1ccc(F)cc1[O-] ZINC000866452426 633141962 /nfs/dbraw/zinc/14/19/62/633141962.db2.gz GLWXICFHBGIDFF-ZLKJLUDKSA-N 0 0 281.371 3.122 20 10 CGCDRN CC[C@@H](Nc1cnn2c1CCCC2)c1ccccc1O ZINC000866459568 633145277 /nfs/dbraw/zinc/14/52/77/633145277.db2.gz AAAIEGCVOMHPSZ-CYBMUJFWSA-N 0 0 271.364 3.488 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000866636729 633225381 /nfs/dbraw/zinc/22/53/81/633225381.db2.gz BEXLUZBQPDSWDG-ZUZCIYMTSA-N 0 0 299.361 3.262 20 10 CGCDRN Cc1cc(Br)c(O)c(CN2CC[C@@H](F)C2)c1 ZINC000824570343 633260635 /nfs/dbraw/zinc/26/06/35/633260635.db2.gz CMFXZSWPDFHCQY-SNVBAGLBSA-N 0 0 288.160 3.007 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824858802 633300937 /nfs/dbraw/zinc/30/09/37/633300937.db2.gz FTGKDLSZXROIPK-QDMKHBRRSA-N 0 0 288.391 3.112 20 10 CGCDRN CCc1nc(CNCc2ccc(N(CC)CC)cc2)co1 ZINC000825050735 633322708 /nfs/dbraw/zinc/32/27/08/633322708.db2.gz QROLPQZXXXBCHY-UHFFFAOYSA-N 0 0 287.407 3.373 20 10 CGCDRN C[C@H](NC(=O)NC[C@H]1CCCCS1)c1ccccc1O ZINC000868551680 633335545 /nfs/dbraw/zinc/33/55/45/633335545.db2.gz UNQRCPOSNQLTKN-NWDGAFQWSA-N 0 0 294.420 3.038 20 10 CGCDRN COC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000825294694 633342589 /nfs/dbraw/zinc/34/25/89/633342589.db2.gz WRLMGFLUOOSESN-SNVBAGLBSA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@H](NC(=O)NCC[C@@]1(C)CC1(F)F)c1ccccc1O ZINC000868776441 633361958 /nfs/dbraw/zinc/36/19/58/633361958.db2.gz HWYPTVXLJJBKLP-HZMBPMFUSA-N 0 0 298.333 3.188 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cs2)c1 ZINC000825737034 633379007 /nfs/dbraw/zinc/37/90/07/633379007.db2.gz QMTXYQPQFKJSAA-SNVBAGLBSA-N 0 0 291.372 3.262 20 10 CGCDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000826043601 633400876 /nfs/dbraw/zinc/40/08/76/633400876.db2.gz LXXGRGWLHFUENR-NEPJUHHUSA-N 0 0 267.394 3.398 20 10 CGCDRN CCOCCCCCC(=O)NCc1cc(Cl)ccc1O ZINC000869145848 633408222 /nfs/dbraw/zinc/40/82/22/633408222.db2.gz BMHBPBAZDJZDFP-UHFFFAOYSA-N 0 0 299.798 3.259 20 10 CGCDRN COCC1([NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000826833390 633436305 /nfs/dbraw/zinc/43/63/05/633436305.db2.gz CDRMNHXKCCQEPD-UHFFFAOYSA-N 0 0 269.772 3.094 20 10 CGCDRN CC(C)CC(CC(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000827316468 633480591 /nfs/dbraw/zinc/48/05/91/633480591.db2.gz CBDJJQORTIBFSD-UHFFFAOYSA-N 0 0 293.407 3.422 20 10 CGCDRN CCOc1ccc(NCc2cc(F)ccc2O)nc1C ZINC000827728385 633513293 /nfs/dbraw/zinc/51/32/93/633513293.db2.gz LAROKKPVUMIEJE-UHFFFAOYSA-N 0 0 276.311 3.246 20 10 CGCDRN CCc1ccccc1OCC(=O)N[C@H](C)c1ccccc1O ZINC000827915948 633534994 /nfs/dbraw/zinc/53/49/94/633534994.db2.gz FGTHJEAUPQOEIW-CYBMUJFWSA-N 0 0 299.370 3.211 20 10 CGCDRN CCc1oc(C(=O)N[C@H](C)c2ccccc2O)cc1C ZINC000827937246 633536531 /nfs/dbraw/zinc/53/65/31/633536531.db2.gz PQIQWKGXDLKYMB-LLVKDONJSA-N 0 0 273.332 3.347 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)C1CCCC1)c1ccccc1O ZINC000827937286 633536946 /nfs/dbraw/zinc/53/69/46/633536946.db2.gz QPSFFRDIZSAZFY-VXGBXAGGSA-N 0 0 261.365 3.396 20 10 CGCDRN CC[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827940811 633537627 /nfs/dbraw/zinc/53/76/27/633537627.db2.gz IUZUEJDHLSJGDL-HZSPNIEDSA-N 0 0 291.391 3.165 20 10 CGCDRN CCCc1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)o1 ZINC000827946260 633538172 /nfs/dbraw/zinc/53/81/72/633538172.db2.gz BQDSQLHKVZWFQG-SNVBAGLBSA-N 0 0 288.347 3.132 20 10 CGCDRN CC[C@@H](C)CC[C@H](O)CC(=O)N[C@H](C)c1ccccc1O ZINC000827947006 633538802 /nfs/dbraw/zinc/53/88/02/633538802.db2.gz XZJWDHDFHLZRLT-MCIONIFRSA-N 0 0 293.407 3.147 20 10 CGCDRN CCCc1occc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946911 633538855 /nfs/dbraw/zinc/53/88/55/633538855.db2.gz UXDBWJOEXBUBBY-LLVKDONJSA-N 0 0 273.332 3.429 20 10 CGCDRN C[C@H](NC(=O)C(C)(C)C1CCC1)c1ccccc1O ZINC000827964861 633542057 /nfs/dbraw/zinc/54/20/57/633542057.db2.gz YAZDDJGOUDKURY-NSHDSACASA-N 0 0 261.365 3.396 20 10 CGCDRN CC(C)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000827973078 633542684 /nfs/dbraw/zinc/54/26/84/633542684.db2.gz HXMFRVBADIIWOD-LBPRGKRZSA-N 0 0 284.359 3.402 20 10 CGCDRN C[C@H](NC(=O)C=C1CCSCC1)c1ccccc1O ZINC000827969878 633542827 /nfs/dbraw/zinc/54/28/27/633542827.db2.gz UEKFUCXERJJKDZ-NSHDSACASA-N 0 0 277.389 3.023 20 10 CGCDRN CO[C@](C)(C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827977925 633543544 /nfs/dbraw/zinc/54/35/44/633543544.db2.gz CLUORBYOUVVXCW-UGSOOPFHSA-N 0 0 299.370 3.131 20 10 CGCDRN COc1cncc(/C=C/CC[N@H+](C)Cc2ccccc2O)c1 ZINC000828062577 633556022 /nfs/dbraw/zinc/55/60/22/633556022.db2.gz KSYIEWGPQNSIDD-FNORWQNLSA-N 0 0 298.386 3.331 20 10 CGCDRN COc1ccc(N(Cc2cccs2)C[C@@H](C)CO)cc1 ZINC000121369897 633561064 /nfs/dbraw/zinc/56/10/64/633561064.db2.gz MXVQHEZMJDHXBI-CYBMUJFWSA-N 0 0 291.416 3.392 20 10 CGCDRN COC1(C(=O)N[C@H](C)c2ccccc2O)CCCCCC1 ZINC000828539734 633626798 /nfs/dbraw/zinc/62/67/98/633626798.db2.gz UQEXDTRPNWXPDY-CYBMUJFWSA-N 0 0 291.391 3.309 20 10 CGCDRN CN(Cc1ccncc1Cl)c1ccc2c(c1)OCO2 ZINC000121377083 633645471 /nfs/dbraw/zinc/64/54/71/633645471.db2.gz AQTKYJLRHYMSPQ-UHFFFAOYSA-N 0 0 276.723 3.100 20 10 CGCDRN CCCOc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871201378 633723724 /nfs/dbraw/zinc/72/37/24/633723724.db2.gz URSYGTAGRQEJRX-UHFFFAOYSA-N 0 0 297.354 3.337 20 10 CGCDRN CCC1(C(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000871203867 633724172 /nfs/dbraw/zinc/72/41/72/633724172.db2.gz UTGXPWOHILFKDV-UHFFFAOYSA-N 0 0 259.349 3.205 20 10 CGCDRN CC1(C(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC000871204404 633724662 /nfs/dbraw/zinc/72/46/62/633724662.db2.gz HWVJHORZBSYWAH-UHFFFAOYSA-N 0 0 259.349 3.205 20 10 CGCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871206061 633725610 /nfs/dbraw/zinc/72/56/10/633725610.db2.gz QCCBUUVBGLNCBU-JKSUJKDBSA-N 0 0 293.366 3.347 20 10 CGCDRN COC(=O)c1cnc(S[C@@H]2CC[C@H](C)C2)s1 ZINC000829677960 633764763 /nfs/dbraw/zinc/76/47/63/633764763.db2.gz SUPOXENHYQEJRT-JGVFFNPUSA-N 0 0 257.380 3.210 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(CC1CCC1)CC(F)(F)F ZINC000829726629 633771168 /nfs/dbraw/zinc/77/11/68/633771168.db2.gz TYAYBYZICKFOKG-UHFFFAOYSA-N 0 0 293.310 3.258 20 10 CGCDRN CCCn1ncnc1CNc1ccccc1NC(C)C ZINC000871845646 633890412 /nfs/dbraw/zinc/89/04/12/633890412.db2.gz GBKYLGYYBAMMNP-UHFFFAOYSA-N 0 0 273.384 3.121 20 10 CGCDRN CC(C)Nc1ccccc1NCC(=O)N[C@@H](C)C(C)C ZINC000871847536 633892416 /nfs/dbraw/zinc/89/24/16/633892416.db2.gz SUXKDPNTKSKJEY-ZDUSSCGKSA-N 0 0 277.412 3.080 20 10 CGCDRN CCCOc1ccc(C[NH2+]CC2(C(=O)[O-])CCC2)cc1C ZINC000871874386 633905970 /nfs/dbraw/zinc/90/59/70/633905970.db2.gz MSKCETOJGKCWMR-UHFFFAOYSA-N 0 0 291.391 3.128 20 10 CGCDRN COc1ccc(CNC(=O)O[C@@H](C)CC(C)C)c(O)c1 ZINC000831347677 633945620 /nfs/dbraw/zinc/94/56/20/633945620.db2.gz DAQHXDHFSZCEIT-NSHDSACASA-N 0 0 281.352 3.062 20 10 CGCDRN COc1ccc(N(CCn2ccnc2C)CC2CC2)cc1 ZINC000831587522 633980289 /nfs/dbraw/zinc/98/02/89/633980289.db2.gz CSBCGPPXCPSYID-UHFFFAOYSA-N 0 0 285.391 3.117 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CCC[C@H](F)C2)cc1 ZINC000846120515 636147321 /nfs/dbraw/zinc/14/73/21/636147321.db2.gz RCKGUYKEJCGPQQ-QTLSWZBMSA-N 0 0 262.372 3.200 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1ccc(F)cc1[O-] ZINC000872133075 634054574 /nfs/dbraw/zinc/05/45/74/634054574.db2.gz JXXHJFKACLDNFF-SMDDNHRTSA-N 0 0 289.354 3.432 20 10 CGCDRN Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000872133836 634056528 /nfs/dbraw/zinc/05/65/28/634056528.db2.gz PCKIEXIEYZHDHO-GXSJLCMTSA-N 0 0 275.327 3.042 20 10 CGCDRN CCn1ncc(N[C@H](C)c2cc(F)cc(F)c2O)c1C ZINC000872137028 634060231 /nfs/dbraw/zinc/06/02/31/634060231.db2.gz IXQFPSWOXZIAJD-MRVPVSSYSA-N 0 0 281.306 3.368 20 10 CGCDRN O=C(NC[C@@H](c1ccccc1)C1CC1)C1=CC(=O)CS1 ZINC000832826666 634101430 /nfs/dbraw/zinc/10/14/30/634101430.db2.gz QZVCTLITTWXTIJ-AWEZNQCLSA-N 0 0 287.384 3.377 20 10 CGCDRN CC[C@H](C)CSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000124387805 634244093 /nfs/dbraw/zinc/24/40/93/634244093.db2.gz LPXLCDKFVRZDLR-ZDUSSCGKSA-N 0 0 294.464 3.148 20 10 CGCDRN C[C@H](NC(=O)NCCC[C@@H]1C=CCC1)c1ccccc1O ZINC000873137837 634256027 /nfs/dbraw/zinc/25/60/27/634256027.db2.gz ISSQDMRPYIHBIG-UONOGXRCSA-N 0 0 288.391 3.499 20 10 CGCDRN Cc1ccc([C@H](C)NCc2nn(C)cc2Cl)c(O)c1C ZINC000834883264 634265583 /nfs/dbraw/zinc/26/55/83/634265583.db2.gz OSEUADKMWHYNQF-NSHDSACASA-N 0 0 293.798 3.247 20 10 CGCDRN CCCc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])o1 ZINC000834900402 634276515 /nfs/dbraw/zinc/27/65/15/634276515.db2.gz PMLDSBHBNHPTNU-SNVBAGLBSA-N 0 0 278.327 3.323 20 10 CGCDRN CCn1ncc(NCc2cc(Cl)ccc2O)c1C ZINC000873195727 634280358 /nfs/dbraw/zinc/28/03/58/634280358.db2.gz ITTYPLAYQHJNSM-UHFFFAOYSA-N 0 0 265.744 3.183 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(Cl)c1[O-] ZINC000834906669 634282191 /nfs/dbraw/zinc/28/21/91/634282191.db2.gz RPNHTSDOPCSGPT-KGLIPLIRSA-N 0 0 283.799 3.247 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2ccc(CCO)cc2)cc1 ZINC000835030747 634325492 /nfs/dbraw/zinc/32/54/92/634325492.db2.gz GUHNRJXTGGYCEK-ARJAWSKDSA-N 0 0 296.414 3.413 20 10 CGCDRN CN(C)c1ccc(/C=C/CN(C)Cc2nccs2)cc1 ZINC000835026078 634326163 /nfs/dbraw/zinc/32/61/63/634326163.db2.gz PIMBXSOUKRXPPI-SNAWJCMRSA-N 0 0 287.432 3.354 20 10 CGCDRN Cc1ccc(CNc2ccnn2[C@@H](C)C2CC2)c(O)c1 ZINC000877006053 634947691 /nfs/dbraw/zinc/94/76/91/634947691.db2.gz PSVCQSJEBXEZMB-LBPRGKRZSA-N 0 0 271.364 3.480 20 10 CGCDRN CN(Cc1cccc(Cl)c1)C(=O)c1cccc(O)c1O ZINC000126280854 634950500 /nfs/dbraw/zinc/95/05/00/634950500.db2.gz SNARKHTYCTZIHC-UHFFFAOYSA-N 0 0 291.734 3.023 20 10 CGCDRN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877019732 634952503 /nfs/dbraw/zinc/95/25/03/634952503.db2.gz QDHMZLDZBFMSGK-SNVBAGLBSA-N 0 0 293.313 3.097 20 10 CGCDRN O=C(OCC1CCC(F)(F)CC1)c1cccc(O)c1O ZINC000837648448 634957689 /nfs/dbraw/zinc/95/76/89/634957689.db2.gz RJQXQSPVWLFCDB-UHFFFAOYSA-N 0 0 286.274 3.080 20 10 CGCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC000877043810 634961406 /nfs/dbraw/zinc/96/14/06/634961406.db2.gz OLWJUPAUAYSCAG-OLZOCXBDSA-N 0 0 297.345 3.108 20 10 CGCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877074493 634972438 /nfs/dbraw/zinc/97/24/38/634972438.db2.gz MBASSQDWSRTUBO-DLBZAZTESA-N 0 0 280.371 3.344 20 10 CGCDRN CCC[C@H]1CCC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877075031 634972763 /nfs/dbraw/zinc/97/27/63/634972763.db2.gz YSJOTUOBKVZOQE-SWLSCSKDSA-N 0 0 260.381 3.448 20 10 CGCDRN CC[C@@H](OC1CCCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877077255 634974845 /nfs/dbraw/zinc/97/48/45/634974845.db2.gz ALBJGBVIHHMOBD-MRXNPFEDSA-N 0 0 290.407 3.360 20 10 CGCDRN CN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccc(N)cc1 ZINC000877077322 634974920 /nfs/dbraw/zinc/97/49/20/634974920.db2.gz CQCDBKHXLHVGEJ-PKOBYXMFSA-N 0 0 292.382 3.136 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CC(=O)N(C)c1ccc(N)cc1 ZINC000877078185 634975568 /nfs/dbraw/zinc/97/55/68/634975568.db2.gz HLXVVEHBKGAPKZ-QWHCGFSZSA-N 0 0 260.381 3.448 20 10 CGCDRN CN(C(=O)c1ccccc1OCC1CC1)c1ccc(N)cc1 ZINC000877078243 634975596 /nfs/dbraw/zinc/97/55/96/634975596.db2.gz JCKHZUOOXJOTLZ-UHFFFAOYSA-N 0 0 296.370 3.334 20 10 CGCDRN C[C@@H](CC1CCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078313 634975852 /nfs/dbraw/zinc/97/58/52/634975852.db2.gz LOXXGNZHMJYFKK-LBPRGKRZSA-N 0 0 260.381 3.448 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H](c2cccnc2)C2CC2)ccc(F)c1F ZINC000877124711 634992347 /nfs/dbraw/zinc/99/23/47/634992347.db2.gz ZQYNHNVGRSCBJM-OAHLLOKOSA-N 0 0 290.313 3.306 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc2c(c1)CCC(=O)N2C ZINC000877160684 635004085 /nfs/dbraw/zinc/00/40/85/635004085.db2.gz SWGLNTXUKPCTMD-UHFFFAOYSA-N 0 0 296.370 3.222 20 10 CGCDRN C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(O)c1O ZINC000126397038 635008887 /nfs/dbraw/zinc/00/88/87/635008887.db2.gz DVEMKJNVAOMZNB-SNVBAGLBSA-N 0 0 289.306 3.070 20 10 CGCDRN COc1ccc(N(C)CCC[C@@H]2CCO2)cc1Cl ZINC000877181014 635009007 /nfs/dbraw/zinc/00/90/07/635009007.db2.gz FGUUJCZCOFHTBH-GFCCVEGCSA-N 0 0 269.772 3.354 20 10 CGCDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000877540277 635079119 /nfs/dbraw/zinc/07/91/19/635079119.db2.gz VHUIEXWCPBUDOT-LBPRGKRZSA-N 0 0 299.361 3.450 20 10 CGCDRN CC[C@@H](NCc1ccc(N(C)C)cc1C)C(F)F ZINC000840948565 635089659 /nfs/dbraw/zinc/08/96/59/635089659.db2.gz DZYUXQCMKBIOMO-CYBMUJFWSA-N 0 0 256.340 3.194 20 10 CGCDRN Cc1cccc(O)c1CN1CC(C)(C)[C@@H]1c1nccn1C ZINC000877559967 635091174 /nfs/dbraw/zinc/09/11/74/635091174.db2.gz BPNZIUHMQNFHBG-HNNXBMFYSA-N 0 0 285.391 3.017 20 10 CGCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)O1 ZINC000840964931 635095179 /nfs/dbraw/zinc/09/51/79/635095179.db2.gz YHGZVLLDJAEAPW-KXUCPTDWSA-N 0 0 287.762 3.088 20 10 CGCDRN COC1([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000840969315 635096011 /nfs/dbraw/zinc/09/60/11/635096011.db2.gz DWRIUODAEOBIRD-JTQLQIEISA-N 0 0 269.772 3.093 20 10 CGCDRN [O-]c1c(C[NH+]2CCC(OC3CCC3)CC2)ccc(F)c1F ZINC000877593770 635105984 /nfs/dbraw/zinc/10/59/84/635105984.db2.gz XWSWAIZUEXDSEA-UHFFFAOYSA-N 0 0 297.345 3.204 20 10 CGCDRN COc1cccc(CNc2ccc3c(c2)CCCN3)c1O ZINC000841036443 635110939 /nfs/dbraw/zinc/11/09/39/635110939.db2.gz NSBMTLQZVFEIGX-UHFFFAOYSA-N 0 0 284.359 3.371 20 10 CGCDRN CN(C[C@H]1CC=CCC1)C(=O)Nc1ccc(N)cc1 ZINC000841296828 635148441 /nfs/dbraw/zinc/14/84/41/635148441.db2.gz ZMSFBPRHWFZKPC-LBPRGKRZSA-N 0 0 259.353 3.089 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000841298641 635149635 /nfs/dbraw/zinc/14/96/35/635149635.db2.gz CJNLQBANMBLBOC-LALPHHSUSA-N 0 0 273.380 3.359 20 10 CGCDRN CC(C)c1cnc(CN2Cc3cccc(O)c3C2)s1 ZINC000877702600 635154362 /nfs/dbraw/zinc/15/43/62/635154362.db2.gz DAROCXNTSBMVLF-UHFFFAOYSA-N 0 0 274.389 3.488 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877805499 635209280 /nfs/dbraw/zinc/20/92/80/635209280.db2.gz KBRDNONUXUYRJV-VPJDZLOFSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841748805 635224275 /nfs/dbraw/zinc/22/42/75/635224275.db2.gz ZCWWRUXHKZTLBY-GHMZBOCLSA-N 0 0 282.815 3.179 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(Cl)cc1[O-] ZINC000841753041 635227682 /nfs/dbraw/zinc/22/76/82/635227682.db2.gz XIUZLUZGKCQZKJ-ZYHUDNBSSA-N 0 0 269.772 3.265 20 10 CGCDRN COc1ccc(C[NH2+][C@H]2CCCC[C@]2(C)C(=O)[O-])cc1C ZINC000841802822 635237109 /nfs/dbraw/zinc/23/71/09/635237109.db2.gz ASQOPUIETBMLLY-RDJZCZTQSA-N 0 0 291.391 3.127 20 10 CGCDRN Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000841822963 635239335 /nfs/dbraw/zinc/23/93/35/635239335.db2.gz ROHKVXVTHHIYRV-UHFFFAOYSA-N 0 0 298.386 3.049 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841886075 635245541 /nfs/dbraw/zinc/24/55/41/635245541.db2.gz XNZIKUIIZNFFQM-CZUORRHYSA-N 0 0 289.423 3.079 20 10 CGCDRN CC(C)C(CNC(=O)NCCc1ccc(N)cc1)C(C)C ZINC000841887556 635245741 /nfs/dbraw/zinc/24/57/41/635245741.db2.gz NFLKWSCDZQVAEJ-UHFFFAOYSA-N 0 0 291.439 3.039 20 10 CGCDRN CC(C)[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954320 635251707 /nfs/dbraw/zinc/25/17/07/635251707.db2.gz LBPVLYUMBJXBQK-MRXNPFEDSA-N 0 0 289.423 3.031 20 10 CGCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962454 635252619 /nfs/dbraw/zinc/25/26/19/635252619.db2.gz QABVYLOTAXXZHG-CZUORRHYSA-N 0 0 289.423 3.031 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)[C@H](C)[C@H]2C)cc1OC ZINC000842048846 635265600 /nfs/dbraw/zinc/26/56/00/635265600.db2.gz LIVYMMDSFQJLDU-GARJFASQSA-N 0 0 294.351 3.093 20 10 CGCDRN Cc1ccc(C2(NC(=O)Cc3ccc(N)cc3)CCC2)cc1 ZINC000842515741 635389316 /nfs/dbraw/zinc/38/93/16/635389316.db2.gz WTGNORYTBXDWDR-UHFFFAOYSA-N 0 0 294.398 3.315 20 10 CGCDRN CCC(CC)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000104802492 635396613 /nfs/dbraw/zinc/39/66/13/635396613.db2.gz OOODFIYHXOCBOT-NSHDSACASA-N 0 0 294.395 3.197 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843047920 635550084 /nfs/dbraw/zinc/55/00/84/635550084.db2.gz BNINUFUVVSXUHN-LSDHHAIUSA-N 0 0 294.826 3.152 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CCCCS3)n2)cc1 ZINC000843158483 635587818 /nfs/dbraw/zinc/58/78/18/635587818.db2.gz DIVSVAJCDINXPI-LBPRGKRZSA-N 0 0 275.377 3.201 20 10 CGCDRN CC(C)(C)SCc1nc(Cc2ccc(N)cc2)no1 ZINC000843160020 635589467 /nfs/dbraw/zinc/58/94/67/635589467.db2.gz UPFHWNSNRWKAID-UHFFFAOYSA-N 0 0 277.393 3.274 20 10 CGCDRN CCOc1ccc(N(Cc2nnc(C)o2)CC2CC2)cc1 ZINC000879117020 635706808 /nfs/dbraw/zinc/70/68/08/635706808.db2.gz HCKDAIHJJQICLM-UHFFFAOYSA-N 0 0 287.363 3.193 20 10 CGCDRN COc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000844352691 635877241 /nfs/dbraw/zinc/87/72/41/635877241.db2.gz CKWJDSYUHDSLQY-LBPRGKRZSA-N 0 0 294.395 3.045 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c(c2)COC3)cc1 ZINC000844352991 635877706 /nfs/dbraw/zinc/87/77/06/635877706.db2.gz MMLDEGANMHFCCN-UHFFFAOYSA-N 0 0 269.344 3.362 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)[C@@H](C)c2ccccc2)cc1 ZINC000844356685 635878305 /nfs/dbraw/zinc/87/83/05/635878305.db2.gz VUOADRJSCKFZLH-KSSFIOAISA-N 0 0 285.387 3.296 20 10 CGCDRN CCC(CC)NC(=O)NCc1cc(Cl)ccc1O ZINC000844843507 635974137 /nfs/dbraw/zinc/97/41/37/635974137.db2.gz CTMVKGOMXPBEHW-UHFFFAOYSA-N 0 0 270.760 3.033 20 10 CGCDRN CC(C)(C)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000844888569 635979202 /nfs/dbraw/zinc/97/92/02/635979202.db2.gz DLFVXVKULXXVGU-UHFFFAOYSA-N 0 0 284.787 3.281 20 10 CGCDRN CC(C)(C)CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881296314 636094957 /nfs/dbraw/zinc/09/49/57/636094957.db2.gz MDGKHORBUVBUBM-UHFFFAOYSA-N 0 0 288.395 3.266 20 10 CGCDRN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000846015077 636129946 /nfs/dbraw/zinc/12/99/46/636129946.db2.gz UMHXKNWDGDBSBR-ZANVPECISA-N 0 0 289.778 3.071 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846043024 636137305 /nfs/dbraw/zinc/13/73/05/636137305.db2.gz STNIGKMAICBWSQ-HNNXBMFYSA-N 0 0 295.810 3.340 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C2(CCC2)CO1 ZINC000846067060 636140807 /nfs/dbraw/zinc/14/08/07/636140807.db2.gz MEDIROPFABEUOD-NSHDSACASA-N 0 0 281.783 3.189 20 10 CGCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846473208 636187364 /nfs/dbraw/zinc/18/73/64/636187364.db2.gz RIJVDECRCHHXNT-SECBINFHSA-N 0 0 267.756 3.098 20 10 CGCDRN O=C(CCCC(F)(F)F)NCc1cc(Cl)ccc1O ZINC000846473043 636187379 /nfs/dbraw/zinc/18/73/79/636187379.db2.gz HWHCSGWVKQEISB-UHFFFAOYSA-N 0 0 295.688 3.394 20 10 CGCDRN CCN(Cc1ccc(C)nc1)c1ccc(OC)c(OC)c1 ZINC000846823488 636252275 /nfs/dbraw/zinc/25/22/75/636252275.db2.gz PCKGYMCXEHXYAR-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN CCc1cc(O)ccc1NS(=O)(=O)CCC1CCCC1 ZINC000882717497 636394537 /nfs/dbraw/zinc/39/45/37/636394537.db2.gz ABHXLYNSURQVIB-UHFFFAOYSA-N 0 0 297.420 3.277 20 10 CGCDRN COCc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882892609 636450387 /nfs/dbraw/zinc/45/03/87/636450387.db2.gz ASJMOPQDGFZSPR-UHFFFAOYSA-N 0 0 293.313 3.107 20 10 CGCDRN CC[C@@H](O)CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000130484877 636463208 /nfs/dbraw/zinc/46/32/08/636463208.db2.gz SLCQFABALCWBBX-CYBMUJFWSA-N 0 0 293.338 3.205 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000883049929 636521025 /nfs/dbraw/zinc/52/10/25/636521025.db2.gz YQVOEBSAQJFXLV-CYBMUJFWSA-N 0 0 297.345 3.252 20 10 CGCDRN C[C@H]1CCCCN1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000848427371 636575617 /nfs/dbraw/zinc/57/56/17/636575617.db2.gz KZQYPXQSZOKOPF-AWEZNQCLSA-N 0 0 289.423 3.179 20 10 CGCDRN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000848926332 636698981 /nfs/dbraw/zinc/69/89/81/636698981.db2.gz PCKYCCYDJODTCA-HAQNSBGRSA-N 0 0 283.799 3.481 20 10 CGCDRN COc1cccc(CN2CCCc3ccccc32)c1O ZINC000131719289 636738538 /nfs/dbraw/zinc/73/85/38/636738538.db2.gz NGHNIFQSYIMVEQ-UHFFFAOYSA-N 0 0 269.344 3.354 20 10 CGCDRN COc1ccc(CNc2c(F)cccc2[N+](=O)[O-])c(O)c1 ZINC000132446000 636810366 /nfs/dbraw/zinc/81/03/66/636810366.db2.gz NPLUGAPGABMCMU-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN CC(C)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132526920 636817027 /nfs/dbraw/zinc/81/70/27/636817027.db2.gz XQMOOTPQMFDHHA-UHFFFAOYSA-N 0 0 272.186 3.243 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000849744805 636862172 /nfs/dbraw/zinc/86/21/72/636862172.db2.gz GDGVDWJLKXANLQ-CIPDKZQTSA-N 0 0 288.343 3.090 20 10 CGCDRN Cc1nnc(CSc2ncc(Cl)s2)n1C1CC1 ZINC000849998933 636924269 /nfs/dbraw/zinc/92/42/69/636924269.db2.gz KVACCXBRUWTILR-UHFFFAOYSA-N 0 0 286.813 3.324 20 10 CGCDRN Clc1cnc(SCCCn2ccnc2)s1 ZINC000849999989 636924886 /nfs/dbraw/zinc/92/48/86/636924886.db2.gz FUPJRHLAWWZZPB-UHFFFAOYSA-N 0 0 259.787 3.175 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(F)cc(F)c1[O-] ZINC000850534264 637110360 /nfs/dbraw/zinc/11/03/60/637110360.db2.gz IFFVZTUNLLGXNS-CKYFFXLPSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000850544461 637115962 /nfs/dbraw/zinc/11/59/62/637115962.db2.gz XGDHLCMKLIUNPN-ZIAGYGMSSA-N 0 0 294.414 3.302 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC000850712605 637135127 /nfs/dbraw/zinc/13/51/27/637135127.db2.gz YESGEKZBJLDBBI-ZSHCYNCHSA-N 0 0 272.392 3.101 20 10 CGCDRN CCc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1 ZINC000109771061 637268136 /nfs/dbraw/zinc/26/81/36/637268136.db2.gz MGAYOQMQIJWIIL-UHFFFAOYSA-N 0 0 298.386 3.025 20 10 CGCDRN CCn1cc(Cl)c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000886368232 637517403 /nfs/dbraw/zinc/51/74/03/637517403.db2.gz INDYWEHTXSMASW-UHFFFAOYSA-N 0 0 296.777 3.374 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cc(C2CC2)no1 ZINC000851882382 637530705 /nfs/dbraw/zinc/53/07/05/637530705.db2.gz WOQWOOLBOVQRCL-UHFFFAOYSA-N 0 0 299.374 3.017 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1c([O-])cccc1F ZINC000886491480 637539833 /nfs/dbraw/zinc/53/98/33/637539833.db2.gz FWWOBQWZAVWRSR-WDEREUQCSA-N 0 0 260.312 3.338 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1c([O-])cccc1F ZINC000886522737 637551415 /nfs/dbraw/zinc/55/14/15/637551415.db2.gz PZXWGYKLXMXBRG-NHYWBVRUSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H]([NH2+]CCNc1ccccc1)c1c([O-])cccc1F ZINC000886537411 637561440 /nfs/dbraw/zinc/56/14/40/637561440.db2.gz ZXVZXCMEFFGLHX-LBPRGKRZSA-N 0 0 274.339 3.294 20 10 CGCDRN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886542561 637567055 /nfs/dbraw/zinc/56/70/55/637567055.db2.gz BQYPAMGVMPUGLC-ZOWXZIJZSA-N 0 0 281.371 3.386 20 10 CGCDRN Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886551073 637576479 /nfs/dbraw/zinc/57/64/79/637576479.db2.gz AWDWRDFWLOBTRH-BLLLJJGKSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@H](Nc1cnn(CC(F)F)c1)c1c(O)cccc1F ZINC000886577096 637588503 /nfs/dbraw/zinc/58/85/03/637588503.db2.gz WUZSKEGFJXETNL-QMMMGPOBSA-N 0 0 285.269 3.166 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1c([O-])cccc1F ZINC000886592571 637596917 /nfs/dbraw/zinc/59/69/17/637596917.db2.gz XNCOMJWBGRCREP-GOPGUHFVSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1c([O-])cccc1F ZINC000886601404 637599303 /nfs/dbraw/zinc/59/93/03/637599303.db2.gz RUUGHAJPCQGLIV-JSGCOSHPSA-N 0 0 292.398 3.199 20 10 CGCDRN Cc1cccnc1CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886618706 637610686 /nfs/dbraw/zinc/61/06/86/637610686.db2.gz IMARHHCSNSZYPA-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886633554 637619130 /nfs/dbraw/zinc/61/91/30/637619130.db2.gz YMROKWFDFBTBAX-WDEREUQCSA-N 0 0 297.370 3.160 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1c([O-])cccc1F ZINC000886634903 637621098 /nfs/dbraw/zinc/62/10/98/637621098.db2.gz QAJPAAIWMNXXOC-NWANDNLSSA-N 0 0 292.398 3.199 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1c([O-])cccc1F ZINC000886634901 637621574 /nfs/dbraw/zinc/62/15/74/637621574.db2.gz QAJPAAIWMNXXOC-AEGPPILISA-N 0 0 292.398 3.199 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1c([O-])cccc1F ZINC000886639577 637624755 /nfs/dbraw/zinc/62/47/55/637624755.db2.gz GLIMDKYBZNYQQA-IUCAKERBSA-N 0 0 259.271 3.227 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1c([O-])cccc1F ZINC000886646961 637626291 /nfs/dbraw/zinc/62/62/91/637626291.db2.gz ZFIXMASHTXWHND-OLZOCXBDSA-N 0 0 293.382 3.389 20 10 CGCDRN C[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(Cl)cc1O ZINC000886803147 637698963 /nfs/dbraw/zinc/69/89/63/637698963.db2.gz DSUWXGICSLXILB-HQJQHLMTSA-N 0 0 297.704 3.010 20 10 CGCDRN C[C@H]([NH2+]C1(C2CC2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886824614 637710147 /nfs/dbraw/zinc/71/01/47/637710147.db2.gz CQFZQHAKGPTUTQ-JTQLQIEISA-N 0 0 276.336 3.284 20 10 CGCDRN CN(C)c1ccc(CNC(=O)NC2CCC=CCC2)cc1 ZINC000887634270 637878907 /nfs/dbraw/zinc/87/89/07/637878907.db2.gz KSVNYIXKHBLJOS-UHFFFAOYSA-N 0 0 287.407 3.051 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cnc(F)cn1 ZINC000853692142 637893400 /nfs/dbraw/zinc/89/34/00/637893400.db2.gz QIGKCLGRDVIEGM-LBPRGKRZSA-N 0 0 288.370 3.033 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(C)cc2)s1 ZINC000112242732 638056225 /nfs/dbraw/zinc/05/62/25/638056225.db2.gz UNZGUYDEKQWHMB-CMDGGOBGSA-N 0 0 272.373 3.436 20 10 CGCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000855859809 638267928 /nfs/dbraw/zinc/26/79/28/638267928.db2.gz IAQIVLSMWOMQJG-INIZCTEOSA-N 0 0 297.402 3.408 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CC1(F)F ZINC000856802578 638391897 /nfs/dbraw/zinc/39/18/97/638391897.db2.gz LQVCDFPOWSUVLZ-SSDOTTSWSA-N 0 0 279.689 3.320 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(F)c1 ZINC000115279702 638513349 /nfs/dbraw/zinc/51/33/49/638513349.db2.gz MDJOUETYCQXRCD-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(F)c1 ZINC000857547771 638516277 /nfs/dbraw/zinc/51/62/77/638516277.db2.gz SQQAJNLKXMFFOZ-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1ccc(F)cc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547441 638516574 /nfs/dbraw/zinc/51/65/74/638516574.db2.gz DSRBVZSJVARKRV-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(N)ccn1)c1cccc(Cl)c1[O-] ZINC000925767128 638602531 /nfs/dbraw/zinc/60/25/31/638602531.db2.gz NALBYJYFWSKOMQ-AWEZNQCLSA-N 0 0 291.782 3.264 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)C1CC1 ZINC000115854754 638626875 /nfs/dbraw/zinc/62/68/75/638626875.db2.gz CZFUSCWYVXBSPR-CYBMUJFWSA-N 0 0 289.423 3.001 20 10 CGCDRN Cc1ccoc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858168517 638648396 /nfs/dbraw/zinc/64/83/96/638648396.db2.gz MUCLJFQJXCFAIQ-UHFFFAOYSA-N 0 0 280.318 3.222 20 10 CGCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)C(F)(F)F ZINC000858182667 638651107 /nfs/dbraw/zinc/65/11/07/638651107.db2.gz BZZUMLXMUWTRGS-ZETCQYMHSA-N 0 0 282.256 3.071 20 10 CGCDRN CCC[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)OCC ZINC000858210458 638658322 /nfs/dbraw/zinc/65/83/22/638658322.db2.gz QYHIXABYCFUOQN-SNVBAGLBSA-N 0 0 289.778 3.480 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858254304 638664800 /nfs/dbraw/zinc/66/48/00/638664800.db2.gz YGPPRINSBFJQSU-DGCLKSJQSA-N 0 0 278.396 3.325 20 10 CGCDRN CCC(F)(F)CNC/C=C/c1ccc(N(C)C)cc1 ZINC000858258313 638665707 /nfs/dbraw/zinc/66/57/07/638665707.db2.gz CJEBKHYMWZVIKC-AATRIKPKSA-N 0 0 268.351 3.401 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC2(F)F)cc1 ZINC000929404683 638923980 /nfs/dbraw/zinc/92/39/80/638923980.db2.gz LFWGRHQUUQFOQK-ZDUSSCGKSA-N 0 0 296.361 3.194 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2(C)CC=CC2)cc1 ZINC000929532275 638931048 /nfs/dbraw/zinc/93/10/48/638931048.db2.gz KWGGAEHFEJZMCR-UHFFFAOYSA-N 0 0 272.392 3.067 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)OCCF)cc1 ZINC000858890793 639038239 /nfs/dbraw/zinc/03/82/39/639038239.db2.gz QTXHMAMOOYUVKV-UHFFFAOYSA-N 0 0 282.359 3.071 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OCCF ZINC000858913862 639042791 /nfs/dbraw/zinc/04/27/91/639042791.db2.gz MQESAIXGGBLBLU-UHFFFAOYSA-N 0 0 282.359 3.069 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1noc(C2CCC2)n1 ZINC000859069980 639070162 /nfs/dbraw/zinc/07/01/62/639070162.db2.gz ZWPAQUZUAWUBNH-UHFFFAOYSA-N 0 0 299.374 3.299 20 10 CGCDRN CCCC(C)(C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000116539713 639077861 /nfs/dbraw/zinc/07/78/61/639077861.db2.gz ZAZCESDDHQCYDZ-UHFFFAOYSA-N 0 0 295.402 3.270 20 10 CGCDRN O=C(CC1CCC(F)(F)CC1)NCc1ccccc1O ZINC000860232589 639314450 /nfs/dbraw/zinc/31/44/50/639314450.db2.gz AUIXXIRKZMQOGD-UHFFFAOYSA-N 0 0 283.318 3.224 20 10 CGCDRN Cc1nc(NC(=O)NCc2cc(C)ccc2O)sc1C ZINC000860307906 639325672 /nfs/dbraw/zinc/32/56/72/639325672.db2.gz UYEUOKFYNBGQDD-UHFFFAOYSA-N 0 0 291.376 3.096 20 10 CGCDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC000862027585 639636189 /nfs/dbraw/zinc/63/61/89/639636189.db2.gz XRNBTJCJFZMHEV-GXTWGEPZSA-N 0 0 298.386 3.383 20 10 CGCDRN Oc1cc2c(cc1CNc1ccc(F)c(F)c1)OCO2 ZINC000042879209 639921949 /nfs/dbraw/zinc/92/19/49/639921949.db2.gz NJOYOLBYYCNLLM-UHFFFAOYSA-N 0 0 279.242 3.011 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCCc1ccccc1 ZINC000042997677 639923719 /nfs/dbraw/zinc/92/37/19/639923719.db2.gz HNDXTSRHPRSEKP-UHFFFAOYSA-N 0 0 298.386 3.166 20 10 CGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC ZINC000048988217 640077646 /nfs/dbraw/zinc/07/76/46/640077646.db2.gz YXSKSONVANEUCJ-UHFFFAOYSA-N 0 0 276.361 3.063 20 10 CGCDRN CCCN(Cc1cc(OC)c(C)cc1O)CC(F)F ZINC000160057758 640088495 /nfs/dbraw/zinc/08/84/95/640088495.db2.gz IWQIVKMLSJXWQX-UHFFFAOYSA-N 0 0 273.323 3.186 20 10 CGCDRN CC(C)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075160038 640122896 /nfs/dbraw/zinc/12/28/96/640122896.db2.gz DQHTYPRMYKTAHI-UHFFFAOYSA-N 0 0 275.392 3.323 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cn[nH]c1 ZINC000077493067 640242508 /nfs/dbraw/zinc/24/25/08/640242508.db2.gz BJQFFRQPJLTUQT-UHFFFAOYSA-N 0 0 286.360 3.131 20 10 CGCDRN Cc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1Cl ZINC000193740653 640492831 /nfs/dbraw/zinc/49/28/31/640492831.db2.gz DPUPSXBYSXORCT-POHAHGRESA-N 0 0 283.805 3.479 20 10 CGCDRN COC(=O)c1oc(CSc2nccs2)cc1C ZINC000194357800 640527577 /nfs/dbraw/zinc/52/75/77/640527577.db2.gz KLRMLDANYZJAPG-UHFFFAOYSA-N 0 0 269.347 3.123 20 10 CGCDRN CC/C=C(\C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195387261 640583702 /nfs/dbraw/zinc/58/37/02/640583702.db2.gz RJIYBQOBXFSRCQ-MKMNVTDBSA-N 0 0 272.392 3.259 20 10 CGCDRN CC[C@H](C)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000088534992 640619339 /nfs/dbraw/zinc/61/93/39/640619339.db2.gz HZIOEDPGUBFTQV-NSHDSACASA-N 0 0 267.369 3.195 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H](C)O1 ZINC000245645034 640629682 /nfs/dbraw/zinc/62/96/82/640629682.db2.gz FKOPCTOYMILHOC-ZYHUDNBSSA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000249050528 640790706 /nfs/dbraw/zinc/79/07/06/640790706.db2.gz JCLSTNAQDAFEBJ-NWDGAFQWSA-N 0 0 293.407 3.005 20 10 CGCDRN O=C(CC1CCCCCC1)NCc1c(O)cccc1O ZINC001156881093 805745386 /nfs/dbraw/zinc/74/53/86/805745386.db2.gz OQBLFRHPLRFPQN-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN Cc1cccc2nc(-c3cc(O)c(O)c(O)c3)n(C3CC3)c21 ZINC001251248133 805870753 /nfs/dbraw/zinc/87/07/53/805870753.db2.gz AFWXOMYGSWUQBW-UHFFFAOYSA-N 0 0 296.326 3.463 20 10 CGCDRN CCCC[C@H](O)CNc1ccccc1OCCC ZINC001252103402 805997532 /nfs/dbraw/zinc/99/75/32/805997532.db2.gz YHVOMGABKPGWHP-ZDUSSCGKSA-N 0 0 251.370 3.438 20 10 CGCDRN COc1cccc2ccc(NCc3ccc(O)c(O)c3)nc21 ZINC001158994540 806028199 /nfs/dbraw/zinc/02/81/99/806028199.db2.gz OFJMOAMBXBCTBH-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN Cc1cc(Br)nc(Nc2ccc(N)cc2)c1 ZINC001159222634 806060666 /nfs/dbraw/zinc/06/06/66/806060666.db2.gz IIBFKMDXJGJBAZ-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN COc1cc(Nc2ccc(N)cc2)cc(Br)n1 ZINC001159376844 806090696 /nfs/dbraw/zinc/09/06/96/806090696.db2.gz WYXFFWBWUMWLRB-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN CC(C)Oc1cnc(F)c(Nc2ccc(N)cc2)c1 ZINC001159486062 806112548 /nfs/dbraw/zinc/11/25/48/806112548.db2.gz VEZMTSAHAFDJNI-UHFFFAOYSA-N 0 0 261.300 3.334 20 10 CGCDRN COC(=O)c1cccc(O)c1Nc1ccc2c(c1)CCCN2 ZINC001159662868 806143920 /nfs/dbraw/zinc/14/39/20/806143920.db2.gz IUQHTSSDITUXFZ-UHFFFAOYSA-N 0 0 298.342 3.281 20 10 CGCDRN COC(=O)c1ccc(Nc2ccc(N)cc2)c(Cl)c1 ZINC001160005483 806212784 /nfs/dbraw/zinc/21/27/84/806212784.db2.gz IPUUURGTAOYYEC-UHFFFAOYSA-N 0 0 276.723 3.452 20 10 CGCDRN Cc1cccc(-c2nnc(-c3ccc(O)c(O)c3)o2)c1 ZINC001253621443 806274393 /nfs/dbraw/zinc/27/43/93/806274393.db2.gz UIRDNBPGEHHRNS-UHFFFAOYSA-N 0 0 268.272 3.123 20 10 CGCDRN Cc1cccc(CNc2ncnc3cc(F)ccc32)c1O ZINC001160764102 806300699 /nfs/dbraw/zinc/30/06/99/806300699.db2.gz BKPGHVONUYCMCX-UHFFFAOYSA-N 0 0 283.306 3.395 20 10 CGCDRN Cc1cccc(CNc2cnc3ccccc3n2)c1O ZINC001160765278 806300728 /nfs/dbraw/zinc/30/07/28/806300728.db2.gz YQSGOFMUWDSRPG-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN Cc1cc(C)c(CNc2nc(C)cc(Cl)n2)c(O)c1 ZINC001160808188 806304520 /nfs/dbraw/zinc/30/45/20/806304520.db2.gz NYQZTUBHXDWEQM-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN COc1cnc(NCc2c(C)cc(C)cc2O)c(C)c1 ZINC001160810498 806305854 /nfs/dbraw/zinc/30/58/54/806305854.db2.gz RLFOVQMLLDORDY-UHFFFAOYSA-N 0 0 272.348 3.333 20 10 CGCDRN Cc1cc(C)c(CNc2nccc(N3CCCC3)n2)c(O)c1 ZINC001160808404 806306136 /nfs/dbraw/zinc/30/61/36/806306136.db2.gz RKXBEYZTRDRFPN-UHFFFAOYSA-N 0 0 298.390 3.011 20 10 CGCDRN Cc1cc(C)c(CNc2ccc(Cl)nn2)c(O)c1 ZINC001160808493 806306430 /nfs/dbraw/zinc/30/64/30/806306430.db2.gz TXEKZBSEHTWGAP-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN Cc1cc(C)c(CNc2cnc(Cl)cc2N)c(O)c1 ZINC001160811609 806306760 /nfs/dbraw/zinc/30/67/60/806306760.db2.gz SDHRYCFMUDAVOP-UHFFFAOYSA-N 0 0 277.755 3.252 20 10 CGCDRN Cc1cc(C)c(CNc2nc(C)nc(C)c2C)c(O)c1 ZINC001160811697 806307431 /nfs/dbraw/zinc/30/74/31/806307431.db2.gz SPDVPLHYPYCTRI-UHFFFAOYSA-N 0 0 271.364 3.336 20 10 CGCDRN Oc1ccc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)cc1O ZINC001254511653 806429746 /nfs/dbraw/zinc/42/97/46/806429746.db2.gz DISCMQKYOYFTHN-OLZOCXBDSA-N 0 0 294.310 3.419 20 10 CGCDRN Cc1cc2cccnc2c(NCc2ccc(N)cc2)n1 ZINC001162787842 806665584 /nfs/dbraw/zinc/66/55/84/806665584.db2.gz RWDUAPJTFVVLMT-UHFFFAOYSA-N 0 0 264.332 3.133 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000027536686 798842794 /nfs/dbraw/zinc/84/27/94/798842794.db2.gz LBIDLGMOWNHZRC-CQSZACIVSA-N 0 0 293.407 3.006 20 10 CGCDRN CCCc1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000037018862 798855177 /nfs/dbraw/zinc/85/51/77/798855177.db2.gz QWZFKJRWCKRYBR-UHFFFAOYSA-N 0 0 268.360 3.403 20 10 CGCDRN Cc1n[nH]cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000038011170 798883109 /nfs/dbraw/zinc/88/31/09/798883109.db2.gz UTXWTAPUALHHBF-UHFFFAOYSA-N 0 0 286.162 3.020 20 10 CGCDRN C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000045723062 798891298 /nfs/dbraw/zinc/89/12/98/798891298.db2.gz JCLSTNAQDAFEBJ-VXGBXAGGSA-N 0 0 293.407 3.005 20 10 CGCDRN Cc1ccc(O)c(CNc2ccccc2N(C)C)c1 ZINC000071407683 798916647 /nfs/dbraw/zinc/91/66/47/798916647.db2.gz AUAAILXEAIIEDF-UHFFFAOYSA-N 0 0 256.349 3.379 20 10 CGCDRN COc1cc(F)c(N(C)c2ccc(N)cc2)cc1F ZINC000260114839 799175551 /nfs/dbraw/zinc/17/55/51/799175551.db2.gz PEIBKQDSMOKJQS-UHFFFAOYSA-N 0 0 264.275 3.324 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CC2(C)C)c1 ZINC000309922070 799220561 /nfs/dbraw/zinc/22/05/61/799220561.db2.gz SQJWJRUDUGAARL-NSHDSACASA-N 0 0 284.197 3.351 20 10 CGCDRN COC(=O)c1sccc1CN(C)c1ccc(OC)cc1 ZINC000381245588 799375001 /nfs/dbraw/zinc/37/50/01/799375001.db2.gz WKSWDDZPFAKUCW-UHFFFAOYSA-N 0 0 291.372 3.180 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C(C)(C)C)c1[O-] ZINC000382172405 799393471 /nfs/dbraw/zinc/39/34/71/799393471.db2.gz VJQBFDKDZFTQKE-UHFFFAOYSA-N 0 0 269.772 3.479 20 10 CGCDRN O=[N+]([O-])c1ccc(CSc2nccs2)c(F)c1 ZINC000383258007 799401946 /nfs/dbraw/zinc/40/19/46/799401946.db2.gz HIERRTSFZJNNIK-UHFFFAOYSA-N 0 0 270.310 3.483 20 10 CGCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000390797678 799475513 /nfs/dbraw/zinc/47/55/13/799475513.db2.gz ULWRJUNERUDSNT-LDYMZIIASA-N 0 0 257.786 3.029 20 10 CGCDRN Cc1nnc([C@@H](C)N[C@H](C)c2cc(F)ccc2O)s1 ZINC000391804707 799478508 /nfs/dbraw/zinc/47/85/08/799478508.db2.gz ISEUBGURORXXKM-HTQZYQBOSA-N 0 0 281.356 3.103 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1O ZINC000397911967 799523317 /nfs/dbraw/zinc/52/33/17/799523317.db2.gz BIXCFQPBQPSBDI-LOWVWBTDSA-N 0 0 251.395 3.327 20 10 CGCDRN CC[C@H](N[C@@H](C)c1csnn1)c1ccccc1O ZINC000398468581 799531214 /nfs/dbraw/zinc/53/12/14/799531214.db2.gz MLJATRXAHLCVBF-ONGXEEELSA-N 0 0 263.366 3.046 20 10 CGCDRN Cc1cnc(C)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000404544041 799578141 /nfs/dbraw/zinc/57/81/41/799578141.db2.gz HDDXMTQGXIUQDL-UHFFFAOYSA-N 0 0 297.402 3.147 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(F)c(F)c1 ZINC000588403428 799688747 /nfs/dbraw/zinc/68/87/47/799688747.db2.gz JMDDXDAGLWYKFB-KXFIGUGUSA-N 0 0 291.253 3.028 20 10 CGCDRN CO[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000687211539 799737279 /nfs/dbraw/zinc/73/72/79/799737279.db2.gz BMARRNBRASVNIR-JQWIXIFHSA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1(F)F ZINC000689202759 799762278 /nfs/dbraw/zinc/76/22/78/799762278.db2.gz LGZRJHNYUZEZPB-NSHDSACASA-N 0 0 261.699 3.181 20 10 CGCDRN CCc1cccc(CNc2ccccc2CO)c1O ZINC000691515122 799785209 /nfs/dbraw/zinc/78/52/09/799785209.db2.gz UQGDTMWYAJDUPT-UHFFFAOYSA-N 0 0 257.333 3.059 20 10 CGCDRN CC(C)OC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000695089376 799826001 /nfs/dbraw/zinc/82/60/01/799826001.db2.gz GXJZCGZFCUBYLA-UHFFFAOYSA-N 0 0 283.799 3.435 20 10 CGCDRN C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(F)cc1[O-] ZINC000695284224 799827812 /nfs/dbraw/zinc/82/78/12/799827812.db2.gz OFEYCPXLMAJBBO-NSHDSACASA-N 0 0 269.360 3.387 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000695990061 799837278 /nfs/dbraw/zinc/83/72/78/799837278.db2.gz VDFOWAXTTUWZQD-ZDUSSCGKSA-N 0 0 273.376 3.321 20 10 CGCDRN C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(F)cc1[O-] ZINC000702441427 799909178 /nfs/dbraw/zinc/90/91/78/799909178.db2.gz WUUIAEPJGKMFEN-SNVBAGLBSA-N 0 0 255.308 3.464 20 10 CGCDRN CS[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703259365 799921194 /nfs/dbraw/zinc/92/11/94/799921194.db2.gz XBWGQIFCCRUBKG-UWVGGRQHSA-N 0 0 273.348 3.044 20 10 CGCDRN COC1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000703836009 799931787 /nfs/dbraw/zinc/93/17/87/799931787.db2.gz NVNVSIWZQGSEFA-QFWMXSHPSA-N 0 0 267.344 3.140 20 10 CGCDRN CC1([NH3+])CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000704542829 799937484 /nfs/dbraw/zinc/93/74/84/799937484.db2.gz VCKMOFMSLGFJBZ-UHFFFAOYSA-N 0 0 289.206 3.012 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704773638 799940008 /nfs/dbraw/zinc/94/00/08/799940008.db2.gz FFKCTUGQPJBAQN-SNVBAGLBSA-N 0 0 271.813 3.278 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H]2C)c1O ZINC000706808766 799967079 /nfs/dbraw/zinc/96/70/79/799967079.db2.gz VGSYVRAFYLFFLY-RKDXNWHRSA-N 0 0 267.756 3.088 20 10 CGCDRN Oc1cccc(Br)c1CN1CCC[C@@H](F)C1 ZINC000707155900 799973508 /nfs/dbraw/zinc/97/35/08/799973508.db2.gz RGHUOSQCVJDPAQ-SECBINFHSA-N 0 0 288.160 3.089 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCSC(F)(F)F ZINC000708465903 799987954 /nfs/dbraw/zinc/98/79/54/799987954.db2.gz LGRGJJULRQJFDT-UHFFFAOYSA-N 0 0 287.253 3.013 20 10 CGCDRN CN(C)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000708453885 799988985 /nfs/dbraw/zinc/98/89/85/799988985.db2.gz LVMYUEARGBIPJB-UHFFFAOYSA-N 0 0 278.302 3.349 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccccc1F ZINC000708481304 799989905 /nfs/dbraw/zinc/98/99/05/799989905.db2.gz BVGNOWLEQKTEFZ-UHFFFAOYSA-N 0 0 267.250 3.099 20 10 CGCDRN COC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000714450985 800122859 /nfs/dbraw/zinc/12/28/59/800122859.db2.gz UPFGXOSIORERQM-DKTWLAJQSA-N 0 0 290.190 3.214 20 10 CGCDRN Oc1ccc2ccccc2c1CN1C[C@@H](F)[C@@H](F)C1 ZINC000714559722 800125672 /nfs/dbraw/zinc/12/56/72/800125672.db2.gz YVIFFXROAAJZNW-OKILXGFUSA-N 0 0 263.287 3.037 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccns1 ZINC000716036130 800162001 /nfs/dbraw/zinc/16/20/01/800162001.db2.gz YPNWELTZWSNTBI-QMMMGPOBSA-N 0 0 268.769 3.353 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccns1 ZINC000716036128 800162240 /nfs/dbraw/zinc/16/22/40/800162240.db2.gz YPNWELTZWSNTBI-MRVPVSSYSA-N 0 0 268.769 3.353 20 10 CGCDRN CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716942561 800186703 /nfs/dbraw/zinc/18/67/03/800186703.db2.gz JOKREWMCRKNXCI-LDYMZIIASA-N 0 0 292.206 3.338 20 10 CGCDRN [O-]c1c(C[NH2+]C2(C3CC3)CCC2)ccc(F)c1F ZINC000717835550 800205631 /nfs/dbraw/zinc/20/56/31/800205631.db2.gz ARLAXSUHQVLUFY-UHFFFAOYSA-N 0 0 253.292 3.093 20 10 CGCDRN CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000718370518 800216265 /nfs/dbraw/zinc/21/62/65/800216265.db2.gz AYGNLOLOVPVLMR-OLZOCXBDSA-N 0 0 283.799 3.483 20 10 CGCDRN CSCCCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772997780 800385047 /nfs/dbraw/zinc/38/50/47/800385047.db2.gz HTNHKHGINUWNRV-CYBMUJFWSA-N 0 0 294.464 3.463 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000822060673 800458928 /nfs/dbraw/zinc/45/89/28/800458928.db2.gz VNLHXQQQZTXVFK-BXUZGUMPSA-N 0 0 251.757 3.468 20 10 CGCDRN Cc1nc(Cl)cc(N[C@@H](C)c2ccccc2O)n1 ZINC001163935959 806855280 /nfs/dbraw/zinc/85/52/80/806855280.db2.gz NVGYSPGAUUYZMN-QMMMGPOBSA-N 0 0 263.728 3.317 20 10 CGCDRN CNc1ccccc1NCCOc1ccccc1F ZINC001163959260 806861412 /nfs/dbraw/zinc/86/14/12/806861412.db2.gz OQGZLZLTMNIUSB-UHFFFAOYSA-N 0 0 260.312 3.358 20 10 CGCDRN Cc1ccc(-c2nnc(-c3ccc(O)c(O)c3)o2)cc1C ZINC001256530774 806910923 /nfs/dbraw/zinc/91/09/23/806910923.db2.gz FLDADPUZQXLFBN-UHFFFAOYSA-N 0 0 282.299 3.432 20 10 CGCDRN CC[C@H](Nc1ccc(NC(C)=O)cn1)c1ccccc1O ZINC001116673232 802393631 /nfs/dbraw/zinc/39/36/31/802393631.db2.gz CUHTUQIBRTZMAF-AWEZNQCLSA-N 0 0 285.347 3.309 20 10 CGCDRN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(F)ccc1O ZINC001116815625 802414387 /nfs/dbraw/zinc/41/43/87/802414387.db2.gz USTSABIYBNOLIK-UHFFFAOYSA-N 0 0 291.370 3.184 20 10 CGCDRN COc1ccc(CNc2cc(C(C)(C)C)ncn2)c(O)c1 ZINC001118530910 802580308 /nfs/dbraw/zinc/58/03/08/802580308.db2.gz VVGRCRMBKQBNBE-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN CCc1nnc(Sc2ncc(Cl)s2)nc1CC ZINC001118540141 802581288 /nfs/dbraw/zinc/58/12/88/802581288.db2.gz DVSXMUWEQFXAFV-UHFFFAOYSA-N 0 0 286.813 3.258 20 10 CGCDRN COc1cccnc1NCc1cc(F)c(N(C)C)cc1F ZINC001118908489 802616252 /nfs/dbraw/zinc/61/62/52/802616252.db2.gz AQMFZLYRGXYWIR-UHFFFAOYSA-N 0 0 293.317 3.047 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC001204992393 812813914 /nfs/dbraw/zinc/81/39/14/812813914.db2.gz CBFBMFVPJGKKJH-OAHLLOKOSA-N 0 0 297.345 3.061 20 10 CGCDRN COCCN(C(=O)/C=C/c1cncc(C)c1)c1ccccc1 ZINC001129034024 803214245 /nfs/dbraw/zinc/21/42/45/803214245.db2.gz UXHUKLGUQZTXFT-CMDGGOBGSA-N 0 0 296.370 3.083 20 10 CGCDRN Cn1ccc2c1ncnc2-c1ccccc1N1CCCC1 ZINC001244179656 803229053 /nfs/dbraw/zinc/22/90/53/803229053.db2.gz FOJDFZAICBWDME-UHFFFAOYSA-N 0 0 278.359 3.236 20 10 CGCDRN CCn1ccc(-c2cc(OC(F)(F)F)ccc2N)cc1=O ZINC001244195065 803238212 /nfs/dbraw/zinc/23/82/12/803238212.db2.gz VOMNGPFDAXTSEA-UHFFFAOYSA-N 0 0 298.264 3.016 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1ccsc1 ZINC001130445063 803284896 /nfs/dbraw/zinc/28/48/96/803284896.db2.gz YNNHXDGBJKMHDO-WAYWQWQTSA-N 0 0 258.346 3.128 20 10 CGCDRN Cc1ccc(-c2cc(=O)n(C)c3ccccc23)c(N)c1 ZINC001244394147 803342625 /nfs/dbraw/zinc/34/26/25/803342625.db2.gz NZLMOHWGRVXGJL-UHFFFAOYSA-N 0 0 264.328 3.096 20 10 CGCDRN O=C(Nc1cc(F)c(F)c(F)c1)C1=CC(=O)CS1 ZINC001136936090 803661248 /nfs/dbraw/zinc/66/12/48/803661248.db2.gz HSDJIUSTJDYPLQ-UHFFFAOYSA-N 0 0 273.235 3.123 20 10 CGCDRN CCCOc1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001245233872 803671791 /nfs/dbraw/zinc/67/17/91/803671791.db2.gz JNGOWWNQUMHSMZ-UHFFFAOYSA-N 0 0 294.354 3.389 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001137837704 803780508 /nfs/dbraw/zinc/78/05/08/803780508.db2.gz RGALZPADDNBLNL-VIFPVBQESA-N 0 0 259.271 3.008 20 10 CGCDRN CN(Cc1cccc(F)c1F)Cc1c(O)cccc1F ZINC001137839557 803780683 /nfs/dbraw/zinc/78/06/83/803780683.db2.gz CVHKPGQXXLRDOX-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137834647 803780824 /nfs/dbraw/zinc/78/08/24/803780824.db2.gz ODCYGARQGOBPNY-DYVFJYSZSA-N 0 0 293.382 3.170 20 10 CGCDRN FC1(F)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138214224 803874811 /nfs/dbraw/zinc/87/48/11/803874811.db2.gz YKXIDAXSUPDSHS-UHFFFAOYSA-N 0 0 266.335 3.128 20 10 CGCDRN Cc1c(C[N@@H+]2CCOC[C@H]2C2CC2)c2ccccc2n1C ZINC001138259567 803883433 /nfs/dbraw/zinc/88/34/33/803883433.db2.gz JINCHFAAWXFXDS-SFHVURJKSA-N 0 0 284.403 3.098 20 10 CGCDRN Cc1cc(CN2CCCC(F)(F)C2)ccc1N(C)C ZINC001139669692 804247688 /nfs/dbraw/zinc/24/76/88/804247688.db2.gz HOGXYWIOVXELBN-UHFFFAOYSA-N 0 0 268.351 3.292 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCc2ccccc2C1 ZINC001139685663 804251743 /nfs/dbraw/zinc/25/17/43/804251743.db2.gz RZVMOTBHRYVLKC-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN C[C@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])C2(CC2)C1 ZINC001139687530 804254226 /nfs/dbraw/zinc/25/42/26/804254226.db2.gz OISBCFIDDDZUDH-SECBINFHSA-N 0 0 253.292 3.045 20 10 CGCDRN C[N@H+](CCc1cccc(F)c1)Cc1c(F)ccc(F)c1[O-] ZINC001139687848 804254705 /nfs/dbraw/zinc/25/47/05/804254705.db2.gz RNINRWITDDIDFM-UHFFFAOYSA-N 0 0 295.304 3.484 20 10 CGCDRN C[C@@]1(F)CCN(Cc2c(O)cccc2Cl)C[C@H]1F ZINC001140338062 804418048 /nfs/dbraw/zinc/41/80/48/804418048.db2.gz TUSLGUXWBZIMOC-CHWSQXEVSA-N 0 0 275.726 3.318 20 10 CGCDRN Oc1cccc(Cl)c1CN1CC(Oc2ccccc2)C1 ZINC001140343938 804420452 /nfs/dbraw/zinc/42/04/52/804420452.db2.gz AJYBDXOWWHKJBD-UHFFFAOYSA-N 0 0 289.762 3.309 20 10 CGCDRN COC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140462496 804441153 /nfs/dbraw/zinc/44/11/53/804441153.db2.gz HLVBCEXHSMCRQE-CYBMUJFWSA-N 0 0 269.772 3.047 20 10 CGCDRN COc1cc(F)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001140484605 804445327 /nfs/dbraw/zinc/44/53/27/804445327.db2.gz WHWPNOGTVBKTOB-UHFFFAOYSA-N 0 0 287.334 3.098 20 10 CGCDRN CCN(CC)c1ccc(CN2Cc3ccncc3C2)c(O)c1 ZINC001140855048 804533230 /nfs/dbraw/zinc/53/32/30/804533230.db2.gz LRKLSHDQDWOCDX-UHFFFAOYSA-N 0 0 297.402 3.149 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)CCCO1 ZINC001140921539 804549165 /nfs/dbraw/zinc/54/91/65/804549165.db2.gz HJQFEGMVTOUIJC-LBPRGKRZSA-N 0 0 282.815 3.017 20 10 CGCDRN Cc1ccc(CN(C)CC(=O)c2ccccc2)c(O)c1 ZINC001140958008 804559080 /nfs/dbraw/zinc/55/90/80/804559080.db2.gz PPDLOQKSWPOVIU-UHFFFAOYSA-N 0 0 269.344 3.015 20 10 CGCDRN CC[N@H+](Cc1cc(F)c([O-])c(F)c1)Cc1ccccc1O ZINC001140990489 804563412 /nfs/dbraw/zinc/56/34/12/804563412.db2.gz BXXGERTZDUSOTE-UHFFFAOYSA-N 0 0 293.313 3.398 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509062 804727789 /nfs/dbraw/zinc/72/77/89/804727789.db2.gz VZPLAZHXTQFWHJ-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN C[C@H]1CCCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509132 804728669 /nfs/dbraw/zinc/72/86/69/804728669.db2.gz YCMFVKIDHCEFBL-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001142520981 804731671 /nfs/dbraw/zinc/73/16/71/804731671.db2.gz SIFSKQLYXYBWCF-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN C[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143103636 804801904 /nfs/dbraw/zinc/80/19/04/804801904.db2.gz IDLOGDCMQYZNMI-LBPRGKRZSA-N 0 0 275.392 3.101 20 10 CGCDRN CC(C)(C)c1cccc(CN2CCOCC23CC3)c1O ZINC001143112477 804802959 /nfs/dbraw/zinc/80/29/59/804802959.db2.gz RZNKBBMHVUJJKZ-UHFFFAOYSA-N 0 0 275.392 3.055 20 10 CGCDRN CCCC(C)(C)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001144115145 804938472 /nfs/dbraw/zinc/93/84/72/804938472.db2.gz KMQVTUMSYYATOR-UHFFFAOYSA-N 0 0 291.391 3.199 20 10 CGCDRN C/C(=C(\F)C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC001146195532 805062928 /nfs/dbraw/zinc/06/29/28/805062928.db2.gz CMAIWQCVRPIREE-FOWTUZBSSA-N 0 0 290.382 3.331 20 10 CGCDRN Nc1cc(F)cc(Nc2cccc(O)c2O)c1Cl ZINC001249653875 805203774 /nfs/dbraw/zinc/20/37/74/805203774.db2.gz YMIYKRLTEBDWFG-UHFFFAOYSA-N 0 0 268.675 3.216 20 10 CGCDRN COC(=O)c1cc(N(C)c2ccc(N)cc2)c(C)cc1C ZINC001249815137 805257025 /nfs/dbraw/zinc/25/70/25/805257025.db2.gz SQNXSIALHAJAAL-UHFFFAOYSA-N 0 0 284.359 3.440 20 10 CGCDRN C/C(=C/C(=O)N(C)c1cccc2cc[nH]c21)c1cnccn1 ZINC001151023626 805279296 /nfs/dbraw/zinc/27/92/96/805279296.db2.gz HXLJHEFOJGYNLQ-BENRWUELSA-N 0 0 292.342 3.024 20 10 CGCDRN C[C@H](NC(=O)c1cccc2c1ccn2C)c1ccccc1O ZINC001151892353 805321596 /nfs/dbraw/zinc/32/15/96/805321596.db2.gz OSGRKVJHOAJAFY-LBPRGKRZSA-N 0 0 294.354 3.375 20 10 CGCDRN Cc1cccc([C@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC001152122334 805334799 /nfs/dbraw/zinc/33/47/99/805334799.db2.gz CSSMVPCINYCTCI-JTQLQIEISA-N 0 0 261.346 3.253 20 10 CGCDRN CCOc1cc(Nc2cccc(O)c2O)c(Cl)cn1 ZINC001250213387 805494789 /nfs/dbraw/zinc/49/47/89/805494789.db2.gz WZYMJMIZBZDOPV-UHFFFAOYSA-N 0 0 280.711 3.289 20 10 CGCDRN Cc1cc(N2CCOCC2)ccc1CCCCF ZINC001250264785 805532829 /nfs/dbraw/zinc/53/28/29/805532829.db2.gz YQODCENLQLFWQT-UHFFFAOYSA-N 0 0 251.345 3.124 20 10 CGCDRN CCCCOC(=O)CC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC001257403620 807139680 /nfs/dbraw/zinc/13/96/80/807139680.db2.gz UJWGBGPFRVCFSL-AWEZNQCLSA-N 0 0 293.407 3.336 20 10 CGCDRN COC/C(C)=C/CN(C)c1ccc(OC)c(Cl)c1 ZINC001167881787 807267062 /nfs/dbraw/zinc/26/70/62/807267062.db2.gz RRRGASAEGQLWPA-YRNVUSSQSA-N 0 0 269.772 3.378 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(N[C@H]2C[C@@H](CO)C2)cc1 ZINC001168244251 807364270 /nfs/dbraw/zinc/36/42/70/807364270.db2.gz ZEBNNSFFGWSJQB-FZNQNYSPSA-N 0 0 270.376 3.277 20 10 CGCDRN CC(=O)OCc1cccc(C)c1Nc1ccc(N)cc1 ZINC001212772111 815133380 /nfs/dbraw/zinc/13/33/80/815133380.db2.gz SDFDXYZFHNDXQT-UHFFFAOYSA-N 0 0 270.332 3.384 20 10 CGCDRN COc1cccc(N)c1N[C@@H](C1CCC1)C(F)(F)F ZINC001169286905 807624086 /nfs/dbraw/zinc/62/40/86/807624086.db2.gz ZUDCVTWIHSIDSO-LBPRGKRZSA-N 0 0 274.286 3.420 20 10 CGCDRN C[C@@H](C(=O)Nc1c2nonc2ccc1Cl)c1ccco1 ZINC001261140135 807711938 /nfs/dbraw/zinc/71/19/38/807711938.db2.gz JOBWIAQAEIGOKL-SSDOTTSWSA-N 0 0 291.694 3.211 20 10 CGCDRN Cc1[nH]c2ncc(NCc3ccc(O)c(O)c3)cc2c1C ZINC001169996721 807736463 /nfs/dbraw/zinc/73/64/63/807736463.db2.gz HXNNVMIXOLJTCN-UHFFFAOYSA-N 0 0 283.331 3.203 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC001262015540 807807716 /nfs/dbraw/zinc/80/77/16/807807716.db2.gz PVKHITBGQCLMRA-UHFFFAOYSA-N 0 0 299.374 3.095 20 10 CGCDRN CCOC(=O)/C=C\CN(CC(C)C)c1ccc(OC)cc1 ZINC001171280017 808016515 /nfs/dbraw/zinc/01/65/15/808016515.db2.gz YJVLWLHRKCMJLP-SREVYHEPSA-N 0 0 291.391 3.277 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC1CCC1 ZINC001264286845 808055238 /nfs/dbraw/zinc/05/52/38/808055238.db2.gz ADAVOGNVWJNPQY-UHFFFAOYSA-N 0 0 286.419 3.435 20 10 CGCDRN C/C(=C/C(=O)N(C)c1cc(C)ccc1C)c1cnccn1 ZINC001264740753 808089505 /nfs/dbraw/zinc/08/95/05/808089505.db2.gz DQBWOQVDSKVCHK-UVTDQMKNSA-N 0 0 281.359 3.160 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccnc(OCC2CC2)c1 ZINC001213018179 815201595 /nfs/dbraw/zinc/20/15/95/815201595.db2.gz IDDRPTDTPZHIRW-UHFFFAOYSA-N 0 0 269.348 3.221 20 10 CGCDRN Oc1cccc(Nc2cccc3ncccc32)c1O ZINC001174908137 809196707 /nfs/dbraw/zinc/19/67/07/809196707.db2.gz WNZZSSPUHYUAGQ-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@]12C[C@H]1CCCC2 ZINC001294868335 809476961 /nfs/dbraw/zinc/47/69/61/809476961.db2.gz DGZPNVLEWHQSLV-AUUYWEPGSA-N 0 0 299.414 3.468 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)c(O)c1 ZINC001296968484 809510393 /nfs/dbraw/zinc/51/03/93/809510393.db2.gz PBRGSGYNJNXDBV-NWDGAFQWSA-N 0 0 293.407 3.335 20 10 CGCDRN CC[C@H](C)c1ncc(NC(=O)C2=CC(=O)CS2)cn1 ZINC001296964378 809510868 /nfs/dbraw/zinc/51/08/68/809510868.db2.gz XGNZNHMDQCLZBZ-QMMMGPOBSA-N 0 0 277.349 3.010 20 10 CGCDRN COc1cc(F)c(Nc2ccc(N)cc2)c(F)c1 ZINC001175722981 809520785 /nfs/dbraw/zinc/52/07/85/809520785.db2.gz CRFICEUUMFFAGI-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN C[C@H](NC(=O)c1c(F)cc(F)cc1F)c1ccccc1O ZINC001302538160 809596937 /nfs/dbraw/zinc/59/69/37/809596937.db2.gz ITAMFEVUWHHSIK-QMMMGPOBSA-N 0 0 295.260 3.301 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001177855183 809826169 /nfs/dbraw/zinc/82/61/69/809826169.db2.gz NKUSPTYZJMVXGM-GFCCVEGCSA-N 0 0 289.325 3.490 20 10 CGCDRN Cc1ccc(F)c(NC(=O)NCc2cccc(C)c2O)c1 ZINC001185278671 810252548 /nfs/dbraw/zinc/25/25/48/810252548.db2.gz NKTXZNNJWPFURT-UHFFFAOYSA-N 0 0 288.322 3.470 20 10 CGCDRN Cc1ccc(NC(=O)NCc2cccc(C)c2O)cc1F ZINC001188007624 810441735 /nfs/dbraw/zinc/44/17/35/810441735.db2.gz WXRBHJSVDSJNGP-UHFFFAOYSA-N 0 0 288.322 3.470 20 10 CGCDRN CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC001193086939 810853751 /nfs/dbraw/zinc/85/37/51/810853751.db2.gz RQRCILCVKHEUFQ-RYUDHWBXSA-N 0 0 264.369 3.331 20 10 CGCDRN COCOc1ccc(Cl)cc1Nc1cccc(O)c1O ZINC001214423479 815407047 /nfs/dbraw/zinc/40/70/47/815407047.db2.gz BLGSOGYVRKBEON-UHFFFAOYSA-N 0 0 295.722 3.478 20 10 CGCDRN CC1(C)CCC(NC(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193633867 810923925 /nfs/dbraw/zinc/92/39/25/810923925.db2.gz JLVCLYVTTHZMMN-UHFFFAOYSA-N 0 0 297.782 3.450 20 10 CGCDRN CC(C)COC(=O)NCc1cc2ccccc2cc1O ZINC001193862468 810970338 /nfs/dbraw/zinc/97/03/38/810970338.db2.gz BJBVVLSZAZCQGY-UHFFFAOYSA-N 0 0 273.332 3.428 20 10 CGCDRN COc1ccc(N(C)Cc2ncccc2Cl)cc1 ZINC001195819087 811294814 /nfs/dbraw/zinc/29/48/14/811294814.db2.gz OXANMFGMNDJVRP-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN CCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197147674 811402974 /nfs/dbraw/zinc/40/29/74/811402974.db2.gz HDKCXFAAJCCRRF-WUKNDPDISA-N 0 0 289.360 3.400 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2cccc(F)c2)nc1 ZINC001197652969 811442193 /nfs/dbraw/zinc/44/21/93/811442193.db2.gz UEFJNJIGCLOAGT-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN Cc1cccnc1CNC(=S)Nc1cc(F)cc(F)c1 ZINC001200661235 811731242 /nfs/dbraw/zinc/73/12/42/811731242.db2.gz WWYZPCPTYGPLCF-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CC(C)Oc1cncc(Nc2cccc(O)c2O)c1 ZINC001201547877 811897213 /nfs/dbraw/zinc/89/72/13/811897213.db2.gz SBCSHWYMSIVKSD-UHFFFAOYSA-N 0 0 260.293 3.024 20 10 CGCDRN CC(C)Oc1cncc(N(C)c2ccc(N)cc2)c1 ZINC001201553537 811901536 /nfs/dbraw/zinc/90/15/36/811901536.db2.gz RGEWPGLTVWXTHI-UHFFFAOYSA-N 0 0 257.337 3.219 20 10 CGCDRN Cc1ccc(-c2noc(-c3cccc(O)c3O)n2)c(F)c1 ZINC001215143695 815488964 /nfs/dbraw/zinc/48/89/64/815488964.db2.gz MEGMRFDJGXKZFR-UHFFFAOYSA-N 0 0 286.262 3.262 20 10 CGCDRN CC(=O)c1cccc(-c2noc(-c3ccc(O)c(O)c3)n2)c1 ZINC001215304784 815505209 /nfs/dbraw/zinc/50/52/09/815505209.db2.gz ZISCWBRBEFVZRV-UHFFFAOYSA-N 0 0 296.282 3.017 20 10 CGCDRN COc1ccc(C)cc1NC(=O)Nc1cccc(O)c1O ZINC001202868499 812189801 /nfs/dbraw/zinc/18/98/01/812189801.db2.gz CSTULGMAQBEMIH-UHFFFAOYSA-N 0 0 288.303 3.059 20 10 CGCDRN CCc1ccncc1NCc1cc(F)cc(F)c1O ZINC001203037275 812223033 /nfs/dbraw/zinc/22/30/33/812223033.db2.gz FYGSJQCBOFSSDI-UHFFFAOYSA-N 0 0 264.275 3.240 20 10 CGCDRN CC(C)[N@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580159 812399262 /nfs/dbraw/zinc/39/92/62/812399262.db2.gz LLWRACLCJJCOQL-UHFFFAOYSA-N 0 0 292.206 3.292 20 10 CGCDRN CCOc1cccc(CN2CC(Oc3ccccc3)C2)c1O ZINC001203609278 812405314 /nfs/dbraw/zinc/40/53/14/812405314.db2.gz OAIQLLWLGDPKBJ-UHFFFAOYSA-N 0 0 299.370 3.054 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CC2(C1)CC(F)(F)C2 ZINC001203648794 812416069 /nfs/dbraw/zinc/41/60/69/812416069.db2.gz UXVUEOLMSPDYRJ-UHFFFAOYSA-N 0 0 273.710 3.277 20 10 CGCDRN CN(C)c1ccc(CN2CCC(=O)CC2)c2ccccc21 ZINC001204234145 812581485 /nfs/dbraw/zinc/58/14/85/812581485.db2.gz XQVMQBCVKRWLIG-UHFFFAOYSA-N 0 0 282.387 3.071 20 10 CGCDRN CN(C)c1ccc(CN2CCCC(=O)C2)c2ccccc21 ZINC001204240784 812583093 /nfs/dbraw/zinc/58/30/93/812583093.db2.gz DCZYGBMMQFEAIB-UHFFFAOYSA-N 0 0 282.387 3.071 20 10 CGCDRN OCc1ccc(C(F)(F)F)cc1Nc1cccc(O)c1O ZINC001215683529 815558546 /nfs/dbraw/zinc/55/85/46/815558546.db2.gz GKWBZXFGUJHVKB-UHFFFAOYSA-N 0 0 299.248 3.353 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc2c(c1)OC(F)(F)O2 ZINC001205092567 812858928 /nfs/dbraw/zinc/85/89/28/812858928.db2.gz YNEVEWVTZYQTJS-UHFFFAOYSA-N 0 0 278.258 3.358 20 10 CGCDRN COc1cc(C)cc(F)c1N(C)c1ccc(N)cc1 ZINC001215708711 815564021 /nfs/dbraw/zinc/56/40/21/815564021.db2.gz JQSGEPXTYDCZLG-UHFFFAOYSA-N 0 0 260.312 3.493 20 10 CGCDRN C[C@@H](O)c1cc(NCc2cc(F)c(F)cc2O)ccc1F ZINC001205735391 813064366 /nfs/dbraw/zinc/06/43/66/813064366.db2.gz KBWASSBJBXGXFM-MRVPVSSYSA-N 0 0 297.276 3.475 20 10 CGCDRN Cn1ccc2ccc(-c3cnn(Cc4cccnc4)c3)cc21 ZINC001206423221 813319216 /nfs/dbraw/zinc/31/92/16/813319216.db2.gz LVFHHGVHSGKYLJ-UHFFFAOYSA-N 0 0 288.354 3.485 20 10 CGCDRN CCN(Cc1csc(C)n1)Cc1ccccc1O ZINC001206804970 813442006 /nfs/dbraw/zinc/44/20/06/813442006.db2.gz IJIUSHIRUUFZJS-UHFFFAOYSA-N 0 0 262.378 3.179 20 10 CGCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCCC12CC2 ZINC001207066876 813476181 /nfs/dbraw/zinc/47/61/81/813476181.db2.gz LKHIBJYXYDBLMO-CYBMUJFWSA-N 0 0 251.757 3.468 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2c[nH]c(=O)c(F)c2)cn1 ZINC001242615519 823062801 /nfs/dbraw/zinc/06/28/01/823062801.db2.gz JWPTYJSQYIGWGM-UHFFFAOYSA-N 0 0 283.306 3.396 20 10 CGCDRN CC[N@H+](CCOCc1ccccc1)Cc1ccccc1O ZINC001207236604 813519945 /nfs/dbraw/zinc/51/99/45/813519945.db2.gz MXAGZLDHSYJIIC-UHFFFAOYSA-N 0 0 285.387 3.431 20 10 CGCDRN COc1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209728600 814122430 /nfs/dbraw/zinc/12/24/30/814122430.db2.gz SPWXCTXIGHWJAG-UHFFFAOYSA-N 0 0 256.305 3.243 20 10 CGCDRN Cn1cc2ccc(Nc3ccc4c(c3)OCCN4)cc2n1 ZINC001209766254 814134734 /nfs/dbraw/zinc/13/47/34/814134734.db2.gz LBWJQRMEKOBAPC-UHFFFAOYSA-N 0 0 280.331 3.121 20 10 CGCDRN Cc1c2ccc(Nc3ccc4c(c3)OCCN4)cc2nn1C ZINC001209766988 814134824 /nfs/dbraw/zinc/13/48/24/814134824.db2.gz ZFYXZJKGCHQZGT-UHFFFAOYSA-N 0 0 294.358 3.430 20 10 CGCDRN c1nnc(-c2cccc(Nc3ccc4c(c3)OCCN4)c2)o1 ZINC001209766314 814134974 /nfs/dbraw/zinc/13/49/74/814134974.db2.gz NXWKLTJCJSLPDG-UHFFFAOYSA-N 0 0 294.314 3.285 20 10 CGCDRN COc1ccc(Nc2ccc3c(c2)OCCN3)c(OC)c1 ZINC001209768313 814135043 /nfs/dbraw/zinc/13/50/43/814135043.db2.gz XMFWTLGBWRTFQM-UHFFFAOYSA-N 0 0 286.331 3.252 20 10 CGCDRN OCc1ccc(Cl)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209788064 814139221 /nfs/dbraw/zinc/13/92/21/814139221.db2.gz CVKYWDQMJNMWHK-UHFFFAOYSA-N 0 0 290.750 3.380 20 10 CGCDRN CC1(C)CC=C(N(CCO)c2ccc(N)cc2)CC1 ZINC001210165657 814318296 /nfs/dbraw/zinc/31/82/96/814318296.db2.gz HMKWVMNUBTXFTO-UHFFFAOYSA-N 0 0 260.381 3.162 20 10 CGCDRN CC(C)c1cc(N(CCO)c2ccc(N)cc2)ccc1O ZINC001215845564 815613066 /nfs/dbraw/zinc/61/30/66/815613066.db2.gz HACYRHNMRLPGDD-UHFFFAOYSA-N 0 0 286.375 3.228 20 10 CGCDRN CC(=O)c1cc(Nc2cc3ccccc3cc2O)ccn1 ZINC001210591503 814544858 /nfs/dbraw/zinc/54/48/58/814544858.db2.gz KCQVIGSOJKUHKE-UHFFFAOYSA-N 0 0 278.311 3.309 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001210953332 814689673 /nfs/dbraw/zinc/68/96/73/814689673.db2.gz HMVBWDDBEJYYHR-UHFFFAOYSA-N 0 0 261.256 3.084 20 10 CGCDRN O=C(c1ccccc1)c1ccccc1Nc1ccncn1 ZINC001211028599 814711214 /nfs/dbraw/zinc/71/12/14/814711214.db2.gz DQWCZXQUODLZRB-UHFFFAOYSA-N 0 0 275.311 3.451 20 10 CGCDRN CCOC(=O)c1cccc(N(C)c2ccc(N)cc2)c1 ZINC001211205268 814847859 /nfs/dbraw/zinc/84/78/59/814847859.db2.gz AWIMLAGRKCTNMV-UHFFFAOYSA-N 0 0 270.332 3.213 20 10 CGCDRN CCOc1ccc(N(C)c2ccc(N)cc2)c(OCC)n1 ZINC001211476343 814896081 /nfs/dbraw/zinc/89/60/81/814896081.db2.gz GONBWANWDXVQJL-UHFFFAOYSA-N 0 0 287.363 3.229 20 10 CGCDRN CC(C)c1ccc(N)c(N(CCO)c2ccc(N)cc2)c1 ZINC001216020937 815663108 /nfs/dbraw/zinc/66/31/08/815663108.db2.gz JHVKCLDBBWINGC-UHFFFAOYSA-N 0 0 285.391 3.105 20 10 CGCDRN Nc1ccc(N(CCO)c2c(Cl)ccnc2Cl)cc1 ZINC001216302178 815771935 /nfs/dbraw/zinc/77/19/35/815771935.db2.gz CNAIAPFPXRAZPX-UHFFFAOYSA-N 0 0 298.173 3.101 20 10 CGCDRN C[C@H](Oc1ccc(N)cc1)c1cccc(N(C)C)c1 ZINC001218352596 816174860 /nfs/dbraw/zinc/17/48/60/816174860.db2.gz IRPHNLHXGLFGEH-LBPRGKRZSA-N 0 0 256.349 3.475 20 10 CGCDRN O=C1C=CC(=NNc2ccccn2)C(OC[C@H]2C[C@H](O)C2)=C1 ZINC001218425268 816208357 /nfs/dbraw/zinc/20/83/57/816208357.db2.gz KENISUCNAUHILS-AXYRNEJCSA-N 0 0 299.330 3.352 20 10 CGCDRN Cc1cc(C)c(NC(=O)Cc2ccc(N)cc2)cc1C ZINC001219008983 816262325 /nfs/dbraw/zinc/26/23/25/816262325.db2.gz JABXWZKQZZLBOV-UHFFFAOYSA-N 0 0 268.360 3.375 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC2CCCCCC2)c1 ZINC001220655942 816297070 /nfs/dbraw/zinc/29/70/70/816297070.db2.gz WBYHXTMLINCMGP-UHFFFAOYSA-N 0 0 276.380 3.223 20 10 CGCDRN O=C1C=CC(=NNc2ccccn2)C(OC[C@H]2CCO2)=C1 ZINC001227487923 817659872 /nfs/dbraw/zinc/65/98/72/817659872.db2.gz BERQTUPCTJBTIQ-PFFGMESJSA-N 0 0 285.303 3.370 20 10 CGCDRN O=C1C=CC(=NNc2ccccn2)C(OC[C@@H]2CCO2)=C1 ZINC001227487922 817659915 /nfs/dbraw/zinc/65/99/15/817659915.db2.gz BERQTUPCTJBTIQ-HNAMICAMSA-N 0 0 285.303 3.370 20 10 CGCDRN O=C1C=CC(=NNc2ccccn2)C(O[C@@H]2CCOC2)=C1 ZINC001227487368 817660205 /nfs/dbraw/zinc/66/02/05/817660205.db2.gz VKZIFAMXYHJPMR-PFFGMESJSA-N 0 0 285.303 3.370 20 10 CGCDRN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2O)Cc2ccccc21 ZINC001231446345 818100522 /nfs/dbraw/zinc/10/05/22/818100522.db2.gz HEKIPWKKHGQZBQ-LBPRGKRZSA-N 0 0 297.354 3.210 20 10 CGCDRN Cc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2O)cc1C ZINC001231566435 818124964 /nfs/dbraw/zinc/12/49/64/818124964.db2.gz KKRRUQKCRPEKPT-UHFFFAOYSA-N 0 0 299.370 3.339 20 10 CGCDRN Oc1ccc2ccccc2c1C[NH+]1CCC(N2CCC2)CC1 ZINC001231589981 818129734 /nfs/dbraw/zinc/12/97/34/818129734.db2.gz WYTWZCZPQAJUJI-UHFFFAOYSA-N 0 0 296.414 3.216 20 10 CGCDRN Cc1cccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001231590980 818131883 /nfs/dbraw/zinc/13/18/83/818131883.db2.gz MXYPOMCJUHGLKF-HUUCEWRRSA-N 0 0 273.376 3.034 20 10 CGCDRN CC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(C)cc1O ZINC001231870335 818193992 /nfs/dbraw/zinc/19/39/92/818193992.db2.gz UVYMPYIRFFUNKK-CQSZACIVSA-N 0 0 281.783 3.298 20 10 CGCDRN COc1cc(O)c(C[N@H+](C)CCC2CC2)cc1Cl ZINC001232267842 818297625 /nfs/dbraw/zinc/29/76/25/818297625.db2.gz IAFBOXDRQZXGSS-UHFFFAOYSA-N 0 0 269.772 3.286 20 10 CGCDRN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233011158 818500224 /nfs/dbraw/zinc/50/02/24/818500224.db2.gz ZPLPMDRTJBPCSS-OAHLLOKOSA-N 0 0 299.370 3.449 20 10 CGCDRN CC[N@H+](Cc1c([O-])cc(Br)cc1F)C1CC1 ZINC001233026886 818502164 /nfs/dbraw/zinc/50/21/64/818502164.db2.gz HJQLWUCBXAUMPL-UHFFFAOYSA-N 0 0 288.160 3.278 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](C(F)F)C2)ccc(F)c1F ZINC001233077348 818519580 /nfs/dbraw/zinc/51/95/80/818519580.db2.gz 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ZINC001237083030 819664263 /nfs/dbraw/zinc/66/42/63/819664263.db2.gz WXVXFEJJKBLJNR-UHFFFAOYSA-N 0 0 292.206 3.292 20 10 CGCDRN CN(Cc1cncs1)Cc1c(O)ccc(F)c1Cl ZINC001237130335 819675119 /nfs/dbraw/zinc/67/51/19/819675119.db2.gz MLZXUCHKMDHJKE-UHFFFAOYSA-N 0 0 286.759 3.273 20 10 CGCDRN CCN(Cc1nc(C)co1)Cc1ccc(N(C)C)cc1 ZINC001237642474 819794732 /nfs/dbraw/zinc/79/47/32/819794732.db2.gz JVEDRQPERIIGEJ-UHFFFAOYSA-N 0 0 273.380 3.071 20 10 CGCDRN COc1ccc(C)c(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001237708740 819814914 /nfs/dbraw/zinc/81/49/14/819814914.db2.gz AAVBKALCQIUYLZ-UHFFFAOYSA-N 0 0 283.371 3.268 20 10 CGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237935173 819887088 /nfs/dbraw/zinc/88/70/88/819887088.db2.gz QXULQKSJRYGQNO-ZUZCIYMTSA-N 0 0 299.773 3.186 20 10 CGCDRN COCC[N@H+](Cc1cc(F)c(Cl)cc1[O-])C(C)C ZINC001237937656 819888278 /nfs/dbraw/zinc/88/82/78/819888278.db2.gz SVSHNYMNVLATQD-UHFFFAOYSA-N 0 0 275.751 3.042 20 10 CGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCCC12CC2 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821004470 /nfs/dbraw/zinc/00/44/70/821004470.db2.gz IQRRPOMPTFPWSR-UHFFFAOYSA-N 0 0 293.374 3.344 20 10 CGCDRN COC(=O)c1ccc(-c2ccc3ccn(C)c3c2)c(C)n1 ZINC001240575040 821160831 /nfs/dbraw/zinc/16/08/31/821160831.db2.gz PZJFZUJNMAKCKM-UHFFFAOYSA-N 0 0 280.327 3.335 20 10 CGCDRN COc1cc(-c2ccc3ccn(C)c3c2)cnc1F ZINC001240575271 821161077 /nfs/dbraw/zinc/16/10/77/821161077.db2.gz WMLZNFGOVBNLFT-UHFFFAOYSA-N 0 0 256.280 3.388 20 10 CGCDRN Cc1cc(-c2ccccc2)ncc1-c1ccn(C)c(=O)c1 ZINC001240998277 821476509 /nfs/dbraw/zinc/47/65/09/821476509.db2.gz QSEIZLNRRSIZSX-UHFFFAOYSA-N 0 0 276.339 3.423 20 10 CGCDRN Nc1cncc(F)c1C1=CCN(c2ccccc2)CC1 ZINC001241352392 821754968 /nfs/dbraw/zinc/75/49/68/821754968.db2.gz STFIBHLDPCZYBH-UHFFFAOYSA-N 0 0 269.323 3.097 20 10 CGCDRN Cn1cc2cccc(-c3cc(=O)n(C)c4ccccc34)c2n1 ZINC001241471000 821868915 /nfs/dbraw/zinc/86/89/15/821868915.db2.gz GBCCAAMYXBZPRZ-UHFFFAOYSA-N 0 0 289.338 3.092 20 10 CGCDRN CSc1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001241637675 822018095 /nfs/dbraw/zinc/01/80/95/822018095.db2.gz YMXOXYRMPOEMQW-UHFFFAOYSA-N 0 0 282.368 3.322 20 10 CGCDRN O=c1cc(-c2cccc3cc[nH]c32)ccn1CC1CC1 ZINC001242360934 822966470 /nfs/dbraw/zinc/96/64/70/822966470.db2.gz CESZEKAGXFWIPO-UHFFFAOYSA-N 0 0 264.328 3.407 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N)cc2)c(C)n1CC1CC1 ZINC001342610572 936471862 /nfs/dbraw/zinc/47/18/62/936471862.db2.gz BFZXQHDKPFVNED-UHFFFAOYSA-N 0 0 297.402 3.027 20 10 CGCDRN COc1nn(C)cc1N[C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001343497265 936504049 /nfs/dbraw/zinc/50/40/49/936504049.db2.gz XBZSPNYFQVSDQM-MNOVXSKESA-N 0 0 287.363 3.103 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C)C1(C)CC1)c1ccc(N(C)C)cc1 ZINC001345789583 936824511 /nfs/dbraw/zinc/82/45/11/936824511.db2.gz JPZOPQYVUWSZRY-OLZOCXBDSA-N 0 0 289.423 3.301 20 10 CGCDRN CCC[C@@H](NC(=O)C1=CC(=O)CS1)C(C)(C)C ZINC001347776009 936895231 /nfs/dbraw/zinc/89/52/31/936895231.db2.gz OYAMYWJJAMFXPT-LLVKDONJSA-N 0 0 255.383 3.398 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CCC[C@@H](F)C1 ZINC001349003843 936941694 /nfs/dbraw/zinc/94/16/94/936941694.db2.gz HIQGJFNTKGKKIF-JGVFFNPUSA-N 0 0 297.717 3.343 20 10 CGCDRN C/C(=C\C(=O)NCc1ccc(N(C)C)cc1)c1ccco1 ZINC001351266576 937012840 /nfs/dbraw/zinc/01/28/40/937012840.db2.gz WEBMSTVTDZPVKX-ACCUITESSA-N 0 0 284.359 3.065 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1ccccc1O ZINC001353127666 937058145 /nfs/dbraw/zinc/05/81/45/937058145.db2.gz WRFKBOKJDXOGJI-SQLGEJSKSA-N 0 0 288.391 3.045 20 10 CGCDRN CC(C)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC001353163663 937059260 /nfs/dbraw/zinc/05/92/60/937059260.db2.gz ZNTUSDSKWWJPDA-GOSISDBHSA-N 0 0 296.414 3.195 20 10 CGCDRN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182521921 926922725 /nfs/dbraw/zinc/92/27/25/926922725.db2.gz YZJCEEPBKQTJDL-FZMZJTMJSA-N 0 0 291.391 3.447 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2cccc(F)c21 ZINC001355838689 937147631 /nfs/dbraw/zinc/14/76/31/937147631.db2.gz AHTJKSWRHACMDF-BENRWUELSA-N 0 0 282.318 3.213 20 10 CGCDRN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001356082890 937152618 /nfs/dbraw/zinc/15/26/18/937152618.db2.gz HFULZHFUEARBLN-MFKMUULPSA-N 0 0 272.314 3.432 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1ccccc1F ZINC001357188516 937167447 /nfs/dbraw/zinc/16/74/47/937167447.db2.gz LOEGSMWUFDDAJX-KTKRTIGZSA-N 0 0 270.307 3.205 20 10 CGCDRN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1csnn1 ZINC000398222295 928805730 /nfs/dbraw/zinc/80/57/30/928805730.db2.gz CWGWTEUBIARIFJ-GHMZBOCLSA-N 0 0 276.409 3.016 20 10 CGCDRN CCNc1ccc(C)cc1C(=O)NCc1ccccc1O ZINC001445967354 937360832 /nfs/dbraw/zinc/36/08/32/937360832.db2.gz BSKJDTDMTRXFPZ-UHFFFAOYSA-N 0 0 284.359 3.062 20 10 CGCDRN CCC[C@H](NC(=O)c1cccc(O)c1O)C1CCCC1 ZINC001451259765 937389606 /nfs/dbraw/zinc/38/96/06/937389606.db2.gz YKLJQUWZJOCOGT-ZDUSSCGKSA-N 0 0 277.364 3.187 20 10 CGCDRN Cc1csc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001454806065 937412633 /nfs/dbraw/zinc/41/26/33/937412633.db2.gz MACIEWFGVNUKMN-SNVBAGLBSA-N 0 0 261.346 3.253 20 10 CGCDRN CC(C)c1nccc(NCc2ccc3cccnc3c2O)n1 ZINC001458448951 937463001 /nfs/dbraw/zinc/46/30/01/937463001.db2.gz NHKMROJRSDVZQA-UHFFFAOYSA-N 0 0 294.358 3.466 20 10 CGCDRN COc1nc(NCc2cccc(C)c2O)ccc1Cl ZINC001160770118 931984361 /nfs/dbraw/zinc/98/43/61/931984361.db2.gz QUGJPXXJZRHDBO-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN COc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)cc1 ZINC001461353354 937577301 /nfs/dbraw/zinc/57/73/01/937577301.db2.gz HWHYGCXGZVFKNL-WDZFZDKYSA-N 0 0 282.343 3.075 20 10 CGCDRN C=C/C=C\CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001461722580 937592731 /nfs/dbraw/zinc/59/27/31/937592731.db2.gz OFHUFZAJORWVMF-ARJAWSKDSA-N 0 0 255.720 3.407 20 10 CGCDRN COC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC001461786548 937597152 /nfs/dbraw/zinc/59/71/52/937597152.db2.gz NTAYCHOWDSNEOP-LLVKDONJSA-N 0 0 289.778 3.193 20 10 CGCDRN CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001461880601 937604004 /nfs/dbraw/zinc/60/40/04/937604004.db2.gz KATBCSVIPPUXFD-ZBFHGGJFSA-N 0 0 299.361 3.306 20 10 CGCDRN Oc1cc(Cl)ccc1CN(CC(F)F)C1CC1 ZINC001461974541 937610106 /nfs/dbraw/zinc/61/01/06/937610106.db2.gz MKCUXPJQTNYWFU-UHFFFAOYSA-N 0 0 261.699 3.275 20 10 CGCDRN COc1ccc(CN2CCc3ccc(C)cc32)c(O)c1OC ZINC001462075299 937616279 /nfs/dbraw/zinc/61/62/79/937616279.db2.gz WOIGTTDGMLWWIW-UHFFFAOYSA-N 0 0 299.370 3.281 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1O ZINC000383665997 932740360 /nfs/dbraw/zinc/74/03/60/932740360.db2.gz RVXZDSNGFREYPR-LLVKDONJSA-N 0 0 289.297 3.175 20 10 CGCDRN Cc1ccc2c(c1)CCN2Cc1cc(F)ccc1O ZINC001462184665 937623017 /nfs/dbraw/zinc/62/30/17/937623017.db2.gz RKCBCALJZFZVSI-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN C[C@@H]1Cc2cccc(F)c2N(C(=O)/C=C\c2cccnc2)C1 ZINC001462313247 937631798 /nfs/dbraw/zinc/63/17/98/937631798.db2.gz KWYFHCIVYNQROR-MEJMFZKBSA-N 0 0 296.345 3.459 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1Cc2ccccc21 ZINC001305084606 932862011 /nfs/dbraw/zinc/86/20/11/932862011.db2.gz LOUVRGSEHLPJPX-ZDUSSCGKSA-N 0 0 287.746 3.002 20 10 CGCDRN Cc1cc2nc(Cl)cc(NCc3ccccc3O)n2n1 ZINC001306946945 932900079 /nfs/dbraw/zinc/90/00/79/932900079.db2.gz SBHRGCUQVYUANI-UHFFFAOYSA-N 0 0 288.738 3.009 20 10 CGCDRN CCCCCOc1ccc(N(C)C)c(C(=O)OC)c1 ZINC001307389829 932946572 /nfs/dbraw/zinc/94/65/72/932946572.db2.gz YZPJDDUDEOMBNS-UHFFFAOYSA-N 0 0 265.353 3.108 20 10 CGCDRN CC[C@H](CN1CCCCc2cc(OC)ccc21)OC ZINC001307591305 932973744 /nfs/dbraw/zinc/97/37/44/932973744.db2.gz KQXSBZFBEXXJKR-CQSZACIVSA-N 0 0 263.381 3.263 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)c(OC)c1 ZINC001307597795 932974985 /nfs/dbraw/zinc/97/49/85/932974985.db2.gz LSWLECLKDNSNLW-INWMFGNUSA-N 0 0 291.391 3.098 20 10 CGCDRN CCOC(=O)/C=C/CN(C)c1ccc(OC(C)C)cc1 ZINC001307679113 932985411 /nfs/dbraw/zinc/98/54/11/932985411.db2.gz QLUHYPZZRREFNG-VOTSOKGWSA-N 0 0 277.364 3.029 20 10 CGCDRN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001308618431 933143200 /nfs/dbraw/zinc/14/32/00/933143200.db2.gz FQHNHQKFVNOZMY-UHFFFAOYSA-N 0 0 255.308 3.291 20 10 CGCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(Cl)cc2[O-])CCO1 ZINC001308685631 933158696 /nfs/dbraw/zinc/15/86/96/933158696.db2.gz XMVWCAQSUGVKON-NEPJUHHUSA-N 0 0 283.799 3.340 20 10 CGCDRN C=C/C=C\CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001308920781 933204158 /nfs/dbraw/zinc/20/41/58/933204158.db2.gz CMJLWTYGIKUJNP-ARJAWSKDSA-N 0 0 255.720 3.407 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC001308951777 933211240 /nfs/dbraw/zinc/21/12/40/933211240.db2.gz FLWJVTHVNSXHQE-GFCCVEGCSA-N 0 0 297.345 3.252 20 10 CGCDRN CN(C(=O)c1ccccc1-c1cn[nH]c1)c1ccccc1 ZINC001463658053 937679315 /nfs/dbraw/zinc/67/93/15/937679315.db2.gz YOEIXLYWHKUTAD-UHFFFAOYSA-N 0 0 277.327 3.353 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CC2CCC1CC2)c1ccccc1O ZINC001312743866 933387774 /nfs/dbraw/zinc/38/77/74/933387774.db2.gz IQOJOPVULPHYGP-LFUGVXIPSA-N 0 0 288.391 3.331 20 10 CGCDRN CC(C)Oc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC001464185734 937687494 /nfs/dbraw/zinc/68/74/94/937687494.db2.gz BAGWELUMKKIANN-UHFFFAOYSA-N 0 0 277.345 3.493 20 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0 0 269.291 3.005 20 10 CGCDRN C[C@H](Nc1nc(C(F)(F)F)ns1)c1ccccc1O ZINC001330354375 935286309 /nfs/dbraw/zinc/28/63/09/935286309.db2.gz NBTZEJAMFIYFGH-LURJTMIESA-N 0 0 289.282 3.436 20 10 CGCDRN Cc1nnc(NCc2ccc(N3CCCC3)cc2)n1C1CC1 ZINC001332237297 935452234 /nfs/dbraw/zinc/45/22/34/935452234.db2.gz LPVWGRSBPWUYIH-UHFFFAOYSA-N 0 0 297.406 3.134 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2(CF)CCC2)cc1 ZINC001332498896 935474107 /nfs/dbraw/zinc/47/41/07/935474107.db2.gz CBSQDBBCBBRELO-UHFFFAOYSA-N 0 0 292.398 3.289 20 10 CGCDRN Nc1ccc(CN2CC3(CC3)c3ccccc32)cc1 ZINC001335286225 936137065 /nfs/dbraw/zinc/13/70/65/936137065.db2.gz WVGKGNJNZTZAMW-UHFFFAOYSA-N 0 0 250.345 3.321 20 10 CGCDRN CCc1ccncc1NCc1ccc(N(C)C)c(F)c1 ZINC001474201246 937843668 /nfs/dbraw/zinc/84/36/68/937843668.db2.gz OSTJLYSCWPOTGK-UHFFFAOYSA-N 0 0 273.355 3.461 20 10 CGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])C1CC(OC(C)(C)C)C1 ZINC001474586383 937868971 /nfs/dbraw/zinc/86/89/71/937868971.db2.gz PYAKLAWYVQQQDM-UHFFFAOYSA-N 0 0 299.361 3.448 20 10 CGCDRN CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001474610599 937870024 /nfs/dbraw/zinc/87/00/24/937870024.db2.gz HLTVFUGRJFBHNJ-TZMCWYRMSA-N 0 0 287.375 3.434 20 10 CGCDRN COc1cccc(NCc2cc(F)ccc2O)c1OC ZINC001474705827 937875900 /nfs/dbraw/zinc/87/59/00/937875900.db2.gz SPKHLOVEXLTZQH-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN CC(C)(C)c1ccccc1C(=O)NCc1cccc(O)c1O ZINC001521852494 938034845 /nfs/dbraw/zinc/03/48/45/938034845.db2.gz WMQQEEDAYKWMKZ-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC001522412412 938036660 /nfs/dbraw/zinc/03/66/60/938036660.db2.gz SFTKQGUQWNJJGQ-UHFFFAOYSA-N 0 0 295.688 3.250 20 10 CGCDRN CCCCN(C(=O)/C=C/c1cccnc1)c1ccccn1 ZINC001534478693 938096446 /nfs/dbraw/zinc/09/64/46/938096446.db2.gz RVUMNWTZNDUHGQ-MDZDMXLPSA-N 0 0 281.359 3.323 20 10 CGCDRN CC(C)c1cccc(N(C)C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001542282195 938135391 /nfs/dbraw/zinc/13/53/91/938135391.db2.gz PGEXTPSZJGSIOO-UHFFFAOYSA-N 0 0 299.370 3.427 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(F)s1 ZINC001543806314 938141713 /nfs/dbraw/zinc/14/17/13/938141713.db2.gz VWETYCNLUCIFKF-UHFFFAOYSA-N 0 0 297.698 3.329 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC12CC2 ZINC001557127687 938207973 /nfs/dbraw/zinc/20/79/73/938207973.db2.gz KRVJDWPNLSCWOA-CYBMUJFWSA-N 0 0 286.400 3.438 20 10 CGCDRN CC[C@@H](CN(C)c1ccc(OC(C)C)cc1)OC ZINC001559748887 938234227 /nfs/dbraw/zinc/23/42/27/938234227.db2.gz ZHORZUGNWYDEQU-AWEZNQCLSA-N 0 0 251.370 3.335 20 10 CGCDRN CN(C)c1ccc(CN2Cc3ccccc3CO2)cc1 ZINC001560086021 938243754 /nfs/dbraw/zinc/24/37/54/938243754.db2.gz SGHHFLPMXAXEPH-UHFFFAOYSA-N 0 0 268.360 3.200 20 10 CGCDRN CC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOCC1 ZINC001560400995 938256750 /nfs/dbraw/zinc/25/67/50/938256750.db2.gz IDTFUDMJFYRGHR-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN Oc1ccc(F)cc1CN1CCOc2cc(F)c(F)cc21 ZINC001560911752 938283696 /nfs/dbraw/zinc/28/36/96/938283696.db2.gz KPWUWUHTTUHMLG-UHFFFAOYSA-N 0 0 295.260 3.209 20 10 CGCDRN CC(C)(C)OCCC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001560921772 938284053 /nfs/dbraw/zinc/28/40/53/938284053.db2.gz YHCIWPZFJBMXKA-UHFFFAOYSA-N 0 0 271.788 3.340 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CNC(=O)NCc1c(O)cccc1F ZINC001563851716 938305515 /nfs/dbraw/zinc/30/55/15/938305515.db2.gz ANGIQVBCMYSITJ-NEPJUHHUSA-N 0 0 294.370 3.157 20 10 CGCDRN O=C(NCCCCC1CCCC1)c1cccc(O)c1O ZINC001566096687 960876282 /nfs/dbraw/zinc/87/62/82/960876282.db2.gz GOLLUYJHABJDGG-UHFFFAOYSA-N 0 0 277.364 3.188 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)c1cccc(O)c1 ZINC001566304256 960922629 /nfs/dbraw/zinc/92/26/29/960922629.db2.gz ZFDSOJRQGUVPJM-UHFFFAOYSA-N 0 0 299.370 3.034 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N)cc2)[C@@H]1C ZINC001576680063 962487071 /nfs/dbraw/zinc/48/70/71/962487071.db2.gz YCTGVKSUNLWXLD-UMVBOHGHSA-N 0 0 289.423 3.140 20 10 CGCDRN CN(Cc1c(Cl)ccnc1F)c1ccc(N)cc1 ZINC001578486580 962597579 /nfs/dbraw/zinc/59/75/79/962597579.db2.gz QXSZATSCLLOYCR-UHFFFAOYSA-N 0 0 265.719 3.093 20 10 CGCDRN Cc1ccc(COC(=O)Cc2ccc(N)cc2)cc1F ZINC001579697118 962657635 /nfs/dbraw/zinc/65/76/35/962657635.db2.gz XPTJHDJYFKDIEO-UHFFFAOYSA-N 0 0 273.307 3.002 20 10 CGCDRN Nc1ccc(NCc2ccccc2OCCCCO)cc1 ZINC001580449154 962725572 /nfs/dbraw/zinc/72/55/72/962725572.db2.gz DOTWVIZWDCRXCQ-UHFFFAOYSA-N 0 0 286.375 3.032 20 10 CGCDRN Nc1ccc(NCc2cnc(Cl)c(F)c2)cc1 ZINC001580449153 962726103 /nfs/dbraw/zinc/72/61/03/962726103.db2.gz DNOJHUINJBFBJR-UHFFFAOYSA-N 0 0 251.692 3.068 20 10 CGCDRN Nc1ccc(CNC(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC001580445398 962728454 /nfs/dbraw/zinc/72/84/54/962728454.db2.gz BMTQLFPMHRJNAD-UHFFFAOYSA-N 0 0 295.264 3.008 20 10 CGCDRN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)CCN3)cc1 ZINC001580875296 962745546 /nfs/dbraw/zinc/74/55/46/962745546.db2.gz HXKVQULBTCTAED-UHFFFAOYSA-N 0 0 255.277 3.306 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)ccc21 ZINC001583627998 962831732 /nfs/dbraw/zinc/83/17/32/962831732.db2.gz OMBPWDDATWFZJV-IRXDYDNUSA-N 0 0 298.430 3.121 20 10 CGCDRN Cc1cnc2c(c1)N(C(=O)/C=C/c1ccc(Cl)nc1)CC2 ZINC001583618596 962836055 /nfs/dbraw/zinc/83/60/55/962836055.db2.gz LCJOLFSLWVPIOF-HWKANZROSA-N 0 0 299.761 3.041 20 10 CGCDRN Cc1ccc(C(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC001584983051 962971859 /nfs/dbraw/zinc/97/18/59/962971859.db2.gz ARGLFFVZSWPGHP-UHFFFAOYSA-N 0 0 269.344 3.247 20 10 CGCDRN C/C(=C/C(=O)N1C[C@@H](C)c2ccccc21)c1cnccn1 ZINC001585535679 963023733 /nfs/dbraw/zinc/02/37/33/963023733.db2.gz XUGLJKLOAGRIDK-KIWPFMIBSA-N 0 0 279.343 3.030 20 10 CGCDRN Cc1ccc(O)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001587309553 963185728 /nfs/dbraw/zinc/18/57/28/963185728.db2.gz WFUGGEVXXIEGKD-UHFFFAOYSA-N 0 0 298.302 3.115 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c(F)cc1F ZINC001587444443 963194586 /nfs/dbraw/zinc/19/45/86/963194586.db2.gz GHDXIJRZOBIABP-SNVBAGLBSA-N 0 0 291.297 3.470 20 10 CGCDRN O=C([O-])CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000316446266 964013971 /nfs/dbraw/zinc/01/39/71/964013971.db2.gz FQSPZAQJMHKDKN-UHFFFAOYSA-N 0 0 299.370 3.232 20 10 CGCDRN CC(C)C[C@H]([NH2+]Cc1cc(C(C)C)ccc1O)C(=O)[O-] ZINC001591472574 992587627 /nfs/dbraw/zinc/58/76/27/992587627.db2.gz KQHIARDKKFRTIS-AWEZNQCLSA-N 0 0 279.380 3.105 20 10 CGCDRN Cc1cccc(C)c1OCC(=O)N(C)Cc1ccccc1O ZINC000042116739 344977830 /nfs/dbraw/zinc/97/78/30/344977830.db2.gz CHOWWQOJZNZOMB-UHFFFAOYSA-N 0 0 299.370 3.046 20 10 CGCDRN c1[nH]c2ncccc2c1C1=CCN(c2ccccn2)CC1 ZINC000055357020 345147759 /nfs/dbraw/zinc/14/77/59/345147759.db2.gz CMFGLEQZGCLNHX-UHFFFAOYSA-N 0 0 276.343 3.252 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C=C2CCCCC2)cc1 ZINC000055979367 345159400 /nfs/dbraw/zinc/15/94/00/345159400.db2.gz PINXCXSZFNHEDL-UHFFFAOYSA-N 0 0 272.392 3.259 20 10 CGCDRN CC(C)(C)c1ncsc1C(=O)NCc1ccccc1O ZINC000080106227 345665879 /nfs/dbraw/zinc/66/58/79/345665879.db2.gz HRWGQJKGNNEZCB-UHFFFAOYSA-N 0 0 290.388 3.076 20 10 CGCDRN CN(C)c1ccc(CNc2c(F)c(F)nc(F)c2F)cc1 ZINC000080916365 345689024 /nfs/dbraw/zinc/68/90/24/345689024.db2.gz XCYSPDRIQHDQRS-UHFFFAOYSA-N 0 0 299.271 3.316 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C(C1CC1)C1CC1 ZINC000124744982 370927929 /nfs/dbraw/zinc/92/79/29/370927929.db2.gz KBFCBXVEYCIHSP-UHFFFAOYSA-N 0 0 251.757 3.324 20 10 CGCDRN COCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550965 368808805 /nfs/dbraw/zinc/80/88/05/368808805.db2.gz JZGYEBOVOMCZLV-CYBMUJFWSA-N 0 0 280.387 3.113 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC=CCC2)cc1 ZINC000072633945 369831735 /nfs/dbraw/zinc/83/17/35/369831735.db2.gz ZGPIAQAKFBYXOV-OAHLLOKOSA-N 0 0 272.392 3.067 20 10 CGCDRN COc1cccc(CNC(=O)[C@H](C)CC2CCCC2)c1O ZINC000114538845 370505908 /nfs/dbraw/zinc/50/59/08/370505908.db2.gz MGAPNXHSOCVBRS-GFCCVEGCSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCSC2)c1 ZINC000287127999 371607928 /nfs/dbraw/zinc/60/79/28/371607928.db2.gz RMMIMONTLWMOCP-CHWSQXEVSA-N 0 0 265.422 3.494 20 10 CGCDRN CC[C@@H]([NH2+]CC1(SC)CC1)c1ccc(F)cc1[O-] ZINC000287625427 371684509 /nfs/dbraw/zinc/68/45/09/371684509.db2.gz TWOSVPUYBLMXOB-GFCCVEGCSA-N 0 0 269.385 3.468 20 10 CGCDRN CCC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287677564 371693132 /nfs/dbraw/zinc/69/31/32/371693132.db2.gz MNMASUNHSJIAPA-MFKMUULPSA-N 0 0 271.788 3.247 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CC1(C)CCCC1 ZINC000289280696 371753174 /nfs/dbraw/zinc/75/31/74/371753174.db2.gz OQHPRGHPKUEUNP-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ccnc(C2CC2)n1 ZINC000154382113 371842679 /nfs/dbraw/zinc/84/26/79/371842679.db2.gz GHELSBOGOVVNPH-UHFFFAOYSA-N 0 0 296.418 3.447 20 10 CGCDRN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCOC1 ZINC000291209634 372139047 /nfs/dbraw/zinc/13/90/47/372139047.db2.gz IIZOEQRTTNWXHM-LBPRGKRZSA-N 0 0 269.772 3.045 20 10 CGCDRN C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000295143694 372696542 /nfs/dbraw/zinc/69/65/42/372696542.db2.gz ZYZFLMBDVOSPAE-QMMMGPOBSA-N 0 0 292.206 3.338 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000295243268 372715360 /nfs/dbraw/zinc/71/53/60/372715360.db2.gz LVMHIEOKOOUMAY-RWMBFGLXSA-N 0 0 291.391 3.089 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCOC1 ZINC000295399579 372764353 /nfs/dbraw/zinc/76/43/53/372764353.db2.gz QNYJVVPZFXIVAZ-JTQLQIEISA-N 0 0 287.762 3.043 20 10 CGCDRN CC(C)c1nnc(CSc2nccs2)s1 ZINC000295732146 372892968 /nfs/dbraw/zinc/89/29/68/372892968.db2.gz MAFGNLBZJBSGQG-UHFFFAOYSA-N 0 0 257.409 3.410 20 10 CGCDRN Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000295842096 372930725 /nfs/dbraw/zinc/93/07/25/372930725.db2.gz AOKKOHBDXNFYNN-QMMMGPOBSA-N 0 0 298.358 3.329 20 10 CGCDRN Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296261780 373073401 /nfs/dbraw/zinc/07/34/01/373073401.db2.gz BSIOMTNYKCYBKS-SJLPKXTDSA-N 0 0 297.398 3.320 20 10 CGCDRN C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N)cc1 ZINC000297186573 373259193 /nfs/dbraw/zinc/25/91/93/373259193.db2.gz LOCHNWDKXBOZGY-ZDUSSCGKSA-N 0 0 274.408 3.492 20 10 CGCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000298339282 373294825 /nfs/dbraw/zinc/29/48/25/373294825.db2.gz CRVCSVCDIMOQQZ-UHFFFAOYSA-N 0 0 298.386 3.459 20 10 CGCDRN CC[C@H]1CCCCN1C(=O)CSc1nccs1 ZINC000298801401 373411037 /nfs/dbraw/zinc/41/10/37/373411037.db2.gz YSLJKPVADZLPNK-JTQLQIEISA-N 0 0 270.423 3.026 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(O)c1 ZINC000180864391 374055358 /nfs/dbraw/zinc/05/53/58/374055358.db2.gz MSSMNRZAOYFMAT-UHFFFAOYSA-N 0 0 299.370 3.459 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCC2(CCCCC2)C1 ZINC000187087726 374968253 /nfs/dbraw/zinc/96/82/53/374968253.db2.gz QFEFHCVSFGPFCE-UHFFFAOYSA-N 0 0 289.375 3.284 20 10 CGCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)(C)C ZINC000187742761 375085603 /nfs/dbraw/zinc/08/56/03/375085603.db2.gz GHJPUJUSASNMKP-BXKDBHETSA-N 0 0 287.350 3.382 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N1CCc2ccccc21 ZINC000492678184 375450321 /nfs/dbraw/zinc/45/03/21/375450321.db2.gz KMMRKIZOGZJKJV-SREVYHEPSA-N 0 0 270.357 3.054 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000191379260 375620009 /nfs/dbraw/zinc/62/00/09/375620009.db2.gz XFEYAXQVSREDKR-YGRLFVJLSA-N 0 0 299.773 3.186 20 10 CGCDRN c1cncc(COc2ccc(N3CCCC3)cc2)c1 ZINC000193667359 375907268 /nfs/dbraw/zinc/90/72/68/375907268.db2.gz JYECEGKMTNWFFD-UHFFFAOYSA-N 0 0 254.333 3.261 20 10 CGCDRN COCCn1c(C)c(C)c2cc(-c3nc(C)no3)ccc21 ZINC000264968820 377996052 /nfs/dbraw/zinc/99/60/52/377996052.db2.gz BXDYLBPWSZNPOR-UHFFFAOYSA-N 0 0 285.347 3.263 20 10 CGCDRN CCC[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000267769080 378044803 /nfs/dbraw/zinc/04/48/03/378044803.db2.gz RBHYXOJIEIEJNM-NVXWUHKLSA-N 0 0 299.418 3.051 20 10 CGCDRN Cc1ccc(C(=O)N2CCC3(CCCC3)CC2)c(O)c1O ZINC000271296211 378490244 /nfs/dbraw/zinc/49/02/44/378490244.db2.gz RFSKTQRQENYCTF-UHFFFAOYSA-N 0 0 289.375 3.203 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1OC ZINC000271752137 378503163 /nfs/dbraw/zinc/50/31/63/378503163.db2.gz VZWDBXZZRZTXTE-VXGBXAGGSA-N 0 0 279.380 3.030 20 10 CGCDRN CCC1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272428196 378634446 /nfs/dbraw/zinc/63/44/46/378634446.db2.gz LAXOYBYGIQAXLG-FNORWQNLSA-N 0 0 289.375 3.150 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)c(O)c1C ZINC000273404458 378744230 /nfs/dbraw/zinc/74/42/30/378744230.db2.gz OAGJTHOSESPKBN-USXIJHARSA-N 0 0 288.435 3.286 20 10 CGCDRN Cc1cccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000373224560 379245027 /nfs/dbraw/zinc/24/50/27/379245027.db2.gz VXQRNVZWRMULCD-CYBMUJFWSA-N 0 0 257.333 3.283 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375321329 379489773 /nfs/dbraw/zinc/48/97/73/379489773.db2.gz PRHHDXQJFMLFSD-OCCSQVGLSA-N 0 0 299.773 3.328 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000378435707 379824502 /nfs/dbraw/zinc/82/45/02/379824502.db2.gz AHXLTPNODWLYLY-CQSZACIVSA-N 0 0 294.826 3.106 20 10 CGCDRN CCCCN(Cc1noc(CC)n1)Cc1ccccc1O ZINC000282486770 379931266 /nfs/dbraw/zinc/93/12/66/379931266.db2.gz PHZSXWZWFYNLOH-UHFFFAOYSA-N 0 0 289.379 3.140 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCO1 ZINC000282524357 379938151 /nfs/dbraw/zinc/93/81/51/379938151.db2.gz PUHNJVPSMJWFNK-HNNXBMFYSA-N 0 0 291.391 3.090 20 10 CGCDRN COCC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000282961763 380017453 /nfs/dbraw/zinc/01/74/53/380017453.db2.gz ZSPHSOFXDLREFT-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(F)cc1[O-] ZINC000286128856 380164412 /nfs/dbraw/zinc/16/44/12/380164412.db2.gz OLFFMTAYTWITLU-OAHLLOKOSA-N 0 0 291.370 3.123 20 10 CGCDRN CC[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(F)cc1[O-] ZINC000286165975 380169347 /nfs/dbraw/zinc/16/93/47/380169347.db2.gz QDPWZXPPDTVUJG-AWEZNQCLSA-N 0 0 281.371 3.267 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000286182045 380170763 /nfs/dbraw/zinc/17/07/63/380170763.db2.gz QJYNHKBLCWXHOF-UFBFGSQYSA-N 0 0 295.383 3.493 20 10 CGCDRN CC[C@@H]([NH2+]CCCCCOC)c1ccc(F)cc1[O-] ZINC000285924983 380152368 /nfs/dbraw/zinc/15/23/68/380152368.db2.gz DXZBCEXXGSOOLM-CQSZACIVSA-N 0 0 269.360 3.389 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000285960529 380155428 /nfs/dbraw/zinc/15/54/28/380155428.db2.gz GPEOFQLINZUPHO-HUBLWGQQSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(F)cc1[O-] ZINC000286007968 380158524 /nfs/dbraw/zinc/15/85/24/380158524.db2.gz JBQKNCBZEBWSRI-CQSZACIVSA-N 0 0 283.387 3.371 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1C[C@H]1C ZINC000355297667 380630387 /nfs/dbraw/zinc/63/03/87/380630387.db2.gz NIXNBQJSMYWRMT-DGCLKSJQSA-N 0 0 270.376 3.149 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000369019563 382384690 /nfs/dbraw/zinc/38/46/90/382384690.db2.gz QMBPAXWGKZNDAC-IBGZPJMESA-N 0 0 295.382 3.414 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CCC23CCCCC3)cc1OC ZINC000369326426 382389377 /nfs/dbraw/zinc/38/93/77/382389377.db2.gz HMBIBZWKMVSICK-UHFFFAOYSA-N 0 0 291.391 3.318 20 10 CGCDRN CSCCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348666704 533536496 /nfs/dbraw/zinc/53/64/96/533536496.db2.gz NHEURBDNBGEMQB-UHFFFAOYSA-N 0 0 290.432 3.246 20 10 CGCDRN COc1ccc(N(C)Cc2nc(CC(C)C)no2)cc1F ZINC000121794438 392415701 /nfs/dbraw/zinc/41/57/01/392415701.db2.gz WQOHYFOJHXDKFN-UHFFFAOYSA-N 0 0 293.342 3.052 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000295992897 392553002 /nfs/dbraw/zinc/55/30/02/392553002.db2.gz PSKDCFTVRFAKMQ-VDDIYKPWSA-N 0 0 290.190 3.263 20 10 CGCDRN CN(C)c1ccc(CNc2sccc2[N+](=O)[O-])cc1 ZINC000301939355 392603801 /nfs/dbraw/zinc/60/38/01/392603801.db2.gz SVAGXQHIIIGEIT-UHFFFAOYSA-N 0 0 277.349 3.334 20 10 CGCDRN C[C@H]1CC(NC(=O)N(C)Cc2ccccc2O)C[C@@H](C)C1 ZINC000172512143 392619989 /nfs/dbraw/zinc/61/99/89/392619989.db2.gz NKXVOHCOMVZCTJ-NNQSOWQGSA-N 0 0 290.407 3.358 20 10 CGCDRN Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000281899348 393367196 /nfs/dbraw/zinc/36/71/96/393367196.db2.gz ACCUUVSJCKYVDU-JTQLQIEISA-N 0 0 273.298 3.446 20 10 CGCDRN COC1(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000293816522 292108727 /nfs/dbraw/zinc/10/87/27/292108727.db2.gz WBWXJXPEEGUNOT-JTQLQIEISA-N 0 0 285.334 3.280 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000286265259 397671546 /nfs/dbraw/zinc/67/15/46/397671546.db2.gz VCJFDSSZVWWRJD-HIFRSBDPSA-N 0 0 295.379 3.367 20 10 CGCDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N)cc1 ZINC000022216438 171375939 /nfs/dbraw/zinc/37/59/39/171375939.db2.gz PGMLSVFPRFKVGY-SNVBAGLBSA-N 0 0 290.750 3.328 20 10 CGCDRN CC[C@H](C)[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000075423927 176704965 /nfs/dbraw/zinc/70/49/65/176704965.db2.gz AWWKYDDXUPPSDU-BBRMVZONSA-N 0 0 292.423 3.122 20 10 CGCDRN CCc1ccc(CCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000152524721 261065513 /nfs/dbraw/zinc/06/55/13/261065513.db2.gz HOKVSVKAUCJHIM-UHFFFAOYSA-N 0 0 296.414 3.123 20 10 CGCDRN O[C@@H](COc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000155257742 261100059 /nfs/dbraw/zinc/10/00/59/261100059.db2.gz DILVRBDZJVDSML-SFHVURJKSA-N 0 0 283.371 3.399 20 10 CGCDRN CSCCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000159010974 261175725 /nfs/dbraw/zinc/17/57/25/261175725.db2.gz YQEIANFUVUNUCR-UHFFFAOYSA-N 0 0 294.464 3.244 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC=CCC1 ZINC000172485364 261502580 /nfs/dbraw/zinc/50/25/80/261502580.db2.gz SJMDQPWXWMSGMS-HNNXBMFYSA-N 0 0 288.391 3.423 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c(O)c1O ZINC000179416926 261784528 /nfs/dbraw/zinc/78/45/28/261784528.db2.gz IXVDYMAXWAAJED-GWCFXTLKSA-N 0 0 277.364 3.057 20 10 CGCDRN CCCCC[C@H](CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000181443128 261897419 /nfs/dbraw/zinc/89/74/19/261897419.db2.gz USGFXCJAMYUFKX-AWEZNQCLSA-N 0 0 293.407 3.363 20 10 CGCDRN Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185435293 262054232 /nfs/dbraw/zinc/05/42/32/262054232.db2.gz YXZOZLFNXISRIK-PXAZEXFGSA-N 0 0 289.350 3.224 20 10 CGCDRN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185614789 262062352 /nfs/dbraw/zinc/06/23/52/262062352.db2.gz AMEVHZROEQVDNL-CHWSQXEVSA-N 0 0 283.387 3.227 20 10 CGCDRN CCCC(CCC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186426468 262092584 /nfs/dbraw/zinc/09/25/84/262092584.db2.gz OGOLARXVVWPIJO-LBPRGKRZSA-N 0 0 293.407 3.361 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(OC3COC3)cc2)cc1C ZINC000186500403 262095260 /nfs/dbraw/zinc/09/52/60/262095260.db2.gz IBYSEVIGHCVGMT-UHFFFAOYSA-N 0 0 299.370 3.399 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]CCCC(C)(C)CO)c1 ZINC000185537269 262305637 /nfs/dbraw/zinc/30/56/37/262305637.db2.gz WAFNXYPSFMGRBU-ZDUSSCGKSA-N 0 0 265.397 3.150 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)c(O)c1 ZINC000186143679 262312306 /nfs/dbraw/zinc/31/23/06/262312306.db2.gz HQUFMQCOHNJACF-OLZOCXBDSA-N 0 0 265.397 3.148 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@H]1CCCc2ccccc21 ZINC000299558675 263246702 /nfs/dbraw/zinc/24/67/02/263246702.db2.gz ZCOZGAGLXXJKFW-INIZCTEOSA-N 0 0 296.370 3.269 20 10 CGCDRN CC(C)(C)[C@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293581223 264959570 /nfs/dbraw/zinc/95/95/70/264959570.db2.gz JTIAPQDJSLUHJU-ZDUSSCGKSA-N 0 0 289.778 3.071 20 10 CGCDRN Fc1ccc2c(c1)CCN2Cc1c[nH]nc1-c1cccnc1 ZINC000370270532 267305978 /nfs/dbraw/zinc/30/59/78/267305978.db2.gz JZBOEDUDEPUWMD-UHFFFAOYSA-N 0 0 294.333 3.174 20 10 CGCDRN CC[C@H]([NH2+]CC[C@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000297186661 288042625 /nfs/dbraw/zinc/04/26/25/288042625.db2.gz FDVGZNVEURUPBA-FZMZJTMJSA-N 0 0 285.815 3.495 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287797692 280188366 /nfs/dbraw/zinc/18/83/66/280188366.db2.gz TXVXDLVPYLQTTJ-PRHODGIISA-N 0 0 292.206 3.368 20 10 CGCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180632364 327806455 /nfs/dbraw/zinc/80/64/55/327806455.db2.gz ZAEWYGFWFOZWLE-VHYLPNJESA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1cc(C)c2c(c1)CCCN2C(=O)/C=C/c1cnccn1 ZINC000266940447 328170665 /nfs/dbraw/zinc/17/06/65/328170665.db2.gz BMECTDQTDAMAKC-AATRIKPKSA-N 0 0 293.370 3.086 20 10 CGCDRN C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000276881409 328219790 /nfs/dbraw/zinc/21/97/90/328219790.db2.gz GEKNIKPIYVOSDP-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000255469495 326981033 /nfs/dbraw/zinc/98/10/33/326981033.db2.gz BLNXIMNWQAQSTR-LJTDUEICSA-N 0 0 264.328 3.245 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCCc3cnn(C)c3)cc12 ZINC000421210401 329806218 /nfs/dbraw/zinc/80/62/18/329806218.db2.gz ZVZTXUFNKUVFPA-UHFFFAOYSA-N 0 0 283.375 3.150 20 10 CGCDRN COc1ccc(CN[C@@H](C)c2ncccc2F)cc1C ZINC000527826435 330286681 /nfs/dbraw/zinc/28/66/81/330286681.db2.gz LSRKGFQTNGOFOK-LBPRGKRZSA-N 0 0 274.339 3.389 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000159932420 330854594 /nfs/dbraw/zinc/85/45/94/330854594.db2.gz RVFNMFSVTNVUEV-JQWIXIFHSA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2c(F)cccc2F)cn1 ZINC000492509029 332400864 /nfs/dbraw/zinc/40/08/64/332400864.db2.gz UUECXWQOHIOEGU-HJWRWDBZSA-N 0 0 288.297 3.344 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCCc3cccc(O)c32)c1 ZINC000182936828 333118351 /nfs/dbraw/zinc/11/83/51/333118351.db2.gz BHZWAHYGWBBXFF-BQYQJAHWSA-N 0 0 294.354 3.088 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCc3c2cccc3F)s1 ZINC000183781402 333122682 /nfs/dbraw/zinc/12/26/82/333122682.db2.gz IEKVEYCJDJLCRU-AATRIKPKSA-N 0 0 288.347 3.193 20 10 CGCDRN CCCOc1cncc(NCc2cc(OC)ccc2O)c1 ZINC000529654532 333504167 /nfs/dbraw/zinc/50/41/67/333504167.db2.gz XCPVRYTUENWDOI-UHFFFAOYSA-N 0 0 288.347 3.197 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(F)cc2)s1 ZINC000255034850 334503607 /nfs/dbraw/zinc/50/36/07/334503607.db2.gz IHLFGWIYRKDMKA-FPLPWBNLSA-N 0 0 276.336 3.267 20 10 CGCDRN CCS[C@@H](C(=O)N(C)Cc1ccccc1O)C(C)C ZINC000067154201 521720277 /nfs/dbraw/zinc/72/02/77/521720277.db2.gz NDTUCNPUKODFMX-CQSZACIVSA-N 0 0 281.421 3.128 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ccnc(C3CC3)n2)c1 ZINC000112555832 534205579 /nfs/dbraw/zinc/20/55/79/534205579.db2.gz PELHSRUMAPVPRM-JTQLQIEISA-N 0 0 285.347 3.241 20 10 CGCDRN CC(C)(C)c1nccc(Sc2nccs2)n1 ZINC000301424266 519118516 /nfs/dbraw/zinc/11/85/16/519118516.db2.gz BACPNCAUOTYIBZ-UHFFFAOYSA-N 0 0 251.380 3.382 20 10 CGCDRN CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000299513400 519321791 /nfs/dbraw/zinc/32/17/91/519321791.db2.gz CECUHSYKMNXQSL-UHFFFAOYSA-N 0 0 286.331 3.325 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2c[nH]c3nccnc23)cc1 ZINC000291490793 519780323 /nfs/dbraw/zinc/78/03/23/519780323.db2.gz GMXSJGNSVVDART-UHFFFAOYSA-N 0 0 296.374 3.382 20 10 CGCDRN CCN(Cc1cncc(F)c1)c1ccc(OC)cc1 ZINC000280530854 521436287 /nfs/dbraw/zinc/43/62/87/521436287.db2.gz RWYCQSORVDRYAM-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN CCCc1nc(CN(CCC)Cc2ccccc2O)no1 ZINC000068973523 521503782 /nfs/dbraw/zinc/50/37/82/521503782.db2.gz OZSGYIYZYYLXGM-UHFFFAOYSA-N 0 0 289.379 3.140 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)COC1CCCC1 ZINC000264154041 521687924 /nfs/dbraw/zinc/68/79/24/521687924.db2.gz WTBIMQBDGQRVFW-UHFFFAOYSA-N 0 0 291.391 3.090 20 10 CGCDRN CCS[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000263886757 521720858 /nfs/dbraw/zinc/72/08/58/521720858.db2.gz LLBBCEMTVNOQLK-OAHLLOKOSA-N 0 0 294.464 3.147 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C=C1CCCCC1 ZINC000268658727 523378054 /nfs/dbraw/zinc/37/80/54/523378054.db2.gz TYIVAWFNJGVAPK-UHFFFAOYSA-N 0 0 259.349 3.241 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000294756361 523458128 /nfs/dbraw/zinc/45/81/28/523458128.db2.gz DRILUNJZOWEXPS-SNVBAGLBSA-N 0 0 279.771 3.113 20 10 CGCDRN CN(Cc1csc(Cl)n1)Cc1ccccc1O ZINC000289512664 523530372 /nfs/dbraw/zinc/53/03/72/523530372.db2.gz FNVVSLZAPXHKPL-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN CN(Cc1csc(Cl)n1)c1ccc2c(c1)OCO2 ZINC000289486437 523530427 /nfs/dbraw/zinc/53/04/27/523530427.db2.gz CCQXFRIAOQQCNC-UHFFFAOYSA-N 0 0 282.752 3.162 20 10 CGCDRN CC[C@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000188613382 523851476 /nfs/dbraw/zinc/85/14/76/523851476.db2.gz SQVMPIWEMNCEQX-AWEZNQCLSA-N 0 0 274.408 3.339 20 10 CGCDRN C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127950437 524092425 /nfs/dbraw/zinc/09/24/25/524092425.db2.gz NZXZEBPYSCSZKI-OAHLLOKOSA-N 0 0 299.418 3.147 20 10 CGCDRN C[C@H](CCC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297125270 524118238 /nfs/dbraw/zinc/11/82/38/524118238.db2.gz GZPQKFRWEZYXIO-CQSZACIVSA-N 0 0 282.387 3.469 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](C2CC2)O1 ZINC000280472199 524622888 /nfs/dbraw/zinc/62/28/88/524622888.db2.gz CSZNIAHLOVGQJQ-IINYFYTJSA-N 0 0 281.783 3.045 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ncncc1Cl ZINC000302678313 525020748 /nfs/dbraw/zinc/02/07/48/525020748.db2.gz VKOQVOAGRPFUOB-UHFFFAOYSA-N 0 0 276.771 3.117 20 10 CGCDRN C[C@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO[C@@H]1C1CC1 ZINC000293535131 525299693 /nfs/dbraw/zinc/29/96/93/525299693.db2.gz FGKQZMDNDCWHME-CABCVRRESA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000287151649 525416656 /nfs/dbraw/zinc/41/66/56/525416656.db2.gz STRYFLJOQUWAKO-WDEREUQCSA-N 0 0 269.385 3.325 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000062744861 525462875 /nfs/dbraw/zinc/46/28/75/525462875.db2.gz YQINONWQDRFBPC-GFCCVEGCSA-N 0 0 259.324 3.425 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@H]1CCCCO1 ZINC000276965971 525606155 /nfs/dbraw/zinc/60/61/55/525606155.db2.gz SQCATCGYYUENGU-OPQQBVKSSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000280586208 525792985 /nfs/dbraw/zinc/79/29/85/525792985.db2.gz XDYBHXUWEOSTEK-AAEUAGOBSA-N 0 0 283.799 3.171 20 10 CGCDRN C[C@@H]1CC/C(=C\C(=O)N(C)Cc2ccccc2O)C1 ZINC000268081561 526230419 /nfs/dbraw/zinc/23/04/19/526230419.db2.gz GIUKVQFJCGQJOV-GMCKNXKJSA-N 0 0 259.349 3.097 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000274919069 526329482 /nfs/dbraw/zinc/32/94/82/526329482.db2.gz LOXVYMQPMPEFLN-UHFFFAOYSA-N 0 0 271.335 3.396 20 10 CGCDRN Cc1csc([C@H](C)NCc2ccc3c(c2)CCO3)n1 ZINC000069168176 526436958 /nfs/dbraw/zinc/43/69/58/526436958.db2.gz GEFFTCDXYZRXAO-NSHDSACASA-N 0 0 274.389 3.237 20 10 CGCDRN 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C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000049015254 619675441 /nfs/dbraw/zinc/67/54/41/619675441.db2.gz UMDRIQXOCUWNFS-SMDDNHRTSA-N 0 0 261.369 3.311 20 10 CGCDRN CCOCc1nc(C)cc(N[C@H](C)c2ccccc2O)n1 ZINC000895028535 619698850 /nfs/dbraw/zinc/69/88/50/619698850.db2.gz FASQYUYWBFQCKK-GFCCVEGCSA-N 0 0 287.363 3.200 20 10 CGCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C2CC2)O1 ZINC000793220130 619706359 /nfs/dbraw/zinc/70/63/59/619706359.db2.gz RATWOMGDYVSWBN-MEBBXXQBSA-N 0 0 281.783 3.045 20 10 CGCDRN COc1cc(C)cc(CNc2n[nH]c(C(C)C)c2C)c1O ZINC000895078444 619715978 /nfs/dbraw/zinc/71/59/78/619715978.db2.gz HOOONNSJMUVKBX-UHFFFAOYSA-N 0 0 289.379 3.476 20 10 CGCDRN CCCC1(CNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000162067535 619728390 /nfs/dbraw/zinc/72/83/90/619728390.db2.gz MVDLZBNCMKYJOB-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCC2(COC2)CC1 ZINC000895694977 619871711 /nfs/dbraw/zinc/87/17/11/619871711.db2.gz ONVFFHIPHNQRBK-UHFFFAOYSA-N 0 0 281.783 3.094 20 10 CGCDRN CCOC(=O)c1cnc(SCc2ccncc2)s1 ZINC000896959198 620113663 /nfs/dbraw/zinc/11/36/63/620113663.db2.gz TYEPBJNJQZGDLG-UHFFFAOYSA-N 0 0 280.374 3.007 20 10 CGCDRN [O-]c1c(C[NH2+]CC[C@H]2CCC3(CCC3)O2)ccc(F)c1F ZINC000897245886 620171466 /nfs/dbraw/zinc/17/14/66/620171466.db2.gz MBTLIHMKSXMTOK-GFCCVEGCSA-N 0 0 297.345 3.252 20 10 CGCDRN Cc1cc(C(=O)N2CC(F)C2)c(C)n1-c1cccc(C)c1 ZINC000753074073 620305431 /nfs/dbraw/zinc/30/54/31/620305431.db2.gz PVVNJBMLOHFAER-UHFFFAOYSA-N 0 0 286.350 3.196 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC/C=C/Cl ZINC000899042560 620617044 /nfs/dbraw/zinc/61/70/44/620617044.db2.gz KVRJQCIIHPEFEJ-RMKNXTFCSA-N 0 0 296.798 3.456 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccccc1 ZINC000042411528 620836725 /nfs/dbraw/zinc/83/67/25/620836725.db2.gz MVTQWFBPISWARV-UHFFFAOYSA-N 0 0 292.176 3.445 20 10 CGCDRN Oc1cccc2c1[C@H](N[C@@H]1c3ccccc3OC[C@@H]1F)CC2 ZINC000903266698 621653905 /nfs/dbraw/zinc/65/39/05/621653905.db2.gz UWWRDTLEKOAXDN-PMUMKWKESA-N 0 0 299.345 3.441 20 10 CGCDRN C[C@H](N[C@H](c1ncccn1)C1CC1)c1cc(F)ccc1O ZINC000903327750 621701249 /nfs/dbraw/zinc/70/12/49/621701249.db2.gz YFOGBQACXZWURW-BONVTDFDSA-N 0 0 287.338 3.123 20 10 CGCDRN C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc(F)cc1[O-] ZINC000903362694 621715428 /nfs/dbraw/zinc/71/54/28/621715428.db2.gz ARWNOMARUYYQRC-MQIPJXDCSA-N 0 0 291.366 3.141 20 10 CGCDRN Nc1ccc(NCc2ccc3c(c2)CCCO3)cc1 ZINC000904353841 621911132 /nfs/dbraw/zinc/91/11/32/621911132.db2.gz SNXGSTHPFCOSFG-UHFFFAOYSA-N 0 0 254.333 3.206 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000150733393 622657971 /nfs/dbraw/zinc/65/79/71/622657971.db2.gz CEXNULQRWKOVRE-UHFFFAOYSA-N 0 0 298.386 3.081 20 10 CGCDRN CNC(=O)c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000164958626 622852435 /nfs/dbraw/zinc/85/24/35/622852435.db2.gz HHZHGOCHBMXYIC-UHFFFAOYSA-N 0 0 290.750 3.017 20 10 CGCDRN C[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000158046136 622996050 /nfs/dbraw/zinc/99/60/50/622996050.db2.gz VVVYAZPLSUUIEJ-QMMMGPOBSA-N 0 0 284.743 3.184 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000929406332 623035971 /nfs/dbraw/zinc/03/59/71/623035971.db2.gz UUDOSCIOQRBDHV-BHYGNILZSA-N 0 0 286.419 3.195 20 10 CGCDRN CC(C)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000171958826 623203260 /nfs/dbraw/zinc/20/32/60/623203260.db2.gz OJPWJMUEGGKFBF-ZDUSSCGKSA-N 0 0 262.397 3.003 20 10 CGCDRN O=C1N[C@@H](c2cc(F)ccc2O)Nc2cccc(Cl)c21 ZINC000172863540 623286305 /nfs/dbraw/zinc/28/63/05/623286305.db2.gz WSHFRKHTVNJLSW-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000151865778 623576211 /nfs/dbraw/zinc/57/62/11/623576211.db2.gz OFRPSLVGXCCXEI-HUUCEWRRSA-N 0 0 299.418 3.145 20 10 CGCDRN C[C@H](Nc1cccc(CCO)c1)c1ccc(F)cc1O ZINC000313146427 623633338 /nfs/dbraw/zinc/63/33/38/623633338.db2.gz UAOXOYZIFFUMKS-NSHDSACASA-N 0 0 275.323 3.239 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)CCC(C)(F)F)cc1 ZINC000915680835 624022063 /nfs/dbraw/zinc/02/20/63/624022063.db2.gz DHDWSWFXAUGQMM-UHFFFAOYSA-N 0 0 284.350 3.146 20 10 CGCDRN CON(C)Cc1cc2oc3ccccc3c2cc1O ZINC000917066095 624232505 /nfs/dbraw/zinc/23/25/05/624232505.db2.gz SKLCIBJTNMGURM-UHFFFAOYSA-N 0 0 257.289 3.285 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cncc2ccccc21 ZINC000918071273 624330697 /nfs/dbraw/zinc/33/06/97/624330697.db2.gz QMMYPEBGXHBADT-UHFFFAOYSA-N 0 0 292.338 3.213 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc(Cl)cc1 ZINC000918152190 624337696 /nfs/dbraw/zinc/33/76/96/624337696.db2.gz HVYIWCHBTWCYFV-VMPITWQZSA-N 0 0 287.750 3.196 20 10 CGCDRN Cc1cc(C(N)=O)c(C)n1-c1cccc(C(C)C)c1 ZINC000918202167 624341769 /nfs/dbraw/zinc/34/17/69/624341769.db2.gz RZCFLFDRUKSUCA-UHFFFAOYSA-N 0 0 256.349 3.316 20 10 CGCDRN CC[C@H](C)NC(=O)[C@H](Sc1nccs1)C(C)C ZINC000064661897 624639653 /nfs/dbraw/zinc/63/96/53/624639653.db2.gz WDWVAHRFVRFVKC-VHSXEESVSA-N 0 0 272.439 3.175 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)C)cc1 ZINC000068799923 624759499 /nfs/dbraw/zinc/75/94/99/624759499.db2.gz HHDFIODNTUZODA-UHFFFAOYSA-N 0 0 270.376 3.480 20 10 CGCDRN Cc1ccc(NCc2ccc(N3CCCC3)cc2)nc1C#N ZINC000189665573 625756037 /nfs/dbraw/zinc/75/60/37/625756037.db2.gz JRANMFAKIOQEBK-UHFFFAOYSA-N 0 0 292.386 3.474 20 10 CGCDRN CCc1nc(CNCc2ccc3c(c2)CCCO3)cs1 ZINC000921711270 625851567 /nfs/dbraw/zinc/85/15/67/625851567.db2.gz SKUGEQUDHVRUOW-UHFFFAOYSA-N 0 0 288.416 3.320 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2C=CCCC2)c1 ZINC000186872626 626077264 /nfs/dbraw/zinc/07/72/64/626077264.db2.gz YHZNVONCTBDUQP-OLZOCXBDSA-N 0 0 289.375 3.324 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756475877 626094597 /nfs/dbraw/zinc/09/45/97/626094597.db2.gz PBZAIQLIMSODLV-RYUDHWBXSA-N 0 0 276.336 3.307 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(C1CC1)C1CCCCC1 ZINC000823304533 626096058 /nfs/dbraw/zinc/09/60/58/626096058.db2.gz ACWYDSMEPIUCCV-UHFFFAOYSA-N 0 0 265.378 3.391 20 10 CGCDRN COc1cccc(CNc2ccc3c(c2)C[C@H](C)O3)c1O ZINC000922906844 626099978 /nfs/dbraw/zinc/09/99/78/626099978.db2.gz BAKICHIOIDMARK-NSHDSACASA-N 0 0 285.343 3.336 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000838087017 626190567 /nfs/dbraw/zinc/19/05/67/626190567.db2.gz XZNPEPMPHVDNFI-GOEBONIOSA-N 0 0 297.402 3.263 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839191986 626328661 /nfs/dbraw/zinc/32/86/61/626328661.db2.gz RISSKIAQTBNHFQ-DVYJOKAKSA-N 0 0 269.747 3.463 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193358 626329432 /nfs/dbraw/zinc/32/94/32/626329432.db2.gz UCYKADHZKNWKLZ-UWVGGRQHSA-N 0 0 290.215 3.389 20 10 CGCDRN O=C(/C=C\C1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000752087168 626418513 /nfs/dbraw/zinc/41/85/13/626418513.db2.gz CZDABNMSSFCQET-KTKRTIGZSA-N 0 0 297.354 3.480 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC(C)C ZINC000752220397 626421321 /nfs/dbraw/zinc/42/13/21/626421321.db2.gz GLVSIFUMHQXVLS-AWEZNQCLSA-N 0 0 291.439 3.295 20 10 CGCDRN C[C@@H]1CC/C(=C\C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000753599405 626457948 /nfs/dbraw/zinc/45/79/48/626457948.db2.gz JIQBNGKQCDVBFP-FQZGENGWSA-N 0 0 298.430 3.432 20 10 CGCDRN CCCN(Cc1cc(C)cc(OC)c1O)CC(F)(F)F ZINC000754725957 626585138 /nfs/dbraw/zinc/58/51/38/626585138.db2.gz IVBDVGIVNIDBAY-UHFFFAOYSA-N 0 0 291.313 3.484 20 10 CGCDRN CCC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756341678 626693323 /nfs/dbraw/zinc/69/33/23/626693323.db2.gz RDNZLNZYHGRXLH-ZJUUUORDSA-N 0 0 252.314 3.140 20 10 CGCDRN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534807 626713092 /nfs/dbraw/zinc/71/30/92/626713092.db2.gz OURLUIUEZWCFBZ-RKDXNWHRSA-N 0 0 295.333 3.124 20 10 CGCDRN CSCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756586152 626718489 /nfs/dbraw/zinc/71/84/89/626718489.db2.gz QMJIEURWCUWKPI-JTQLQIEISA-N 0 0 284.381 3.094 20 10 CGCDRN COC1CCC(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000756640479 626723475 /nfs/dbraw/zinc/72/34/75/626723475.db2.gz BKHRSRITPUDXOD-LKSINWNRSA-N 0 0 281.371 3.387 20 10 CGCDRN CC(C)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756664910 626725934 /nfs/dbraw/zinc/72/59/34/626725934.db2.gz RCPPCCFDBZOOOF-NSHDSACASA-N 0 0 298.377 3.194 20 10 CGCDRN CCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756738972 626728908 /nfs/dbraw/zinc/72/89/08/626728908.db2.gz JEXQLHOGAWCMHH-LLVKDONJSA-N 0 0 277.364 3.020 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1cccnc1)CCC2 ZINC000839656240 626770525 /nfs/dbraw/zinc/77/05/25/626770525.db2.gz JPYCTOORCMRHEE-UHFFFAOYSA-N 0 0 284.359 3.052 20 10 CGCDRN CC(C)[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@H]1C(C)C ZINC000839782603 626787880 /nfs/dbraw/zinc/78/78/80/626787880.db2.gz NCJSBGVPROFQEK-AAEUAGOBSA-N 0 0 267.394 3.206 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000757654500 626797619 /nfs/dbraw/zinc/79/76/19/626797619.db2.gz AXWLBNWRKIDHIV-FRRDWIJNSA-N 0 0 281.371 3.387 20 10 CGCDRN C[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757872148 626811493 /nfs/dbraw/zinc/81/14/93/626811493.db2.gz SRGJOZINVVGNFK-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN C[N@H+](CCc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757885821 626812520 /nfs/dbraw/zinc/81/25/20/626812520.db2.gz LJPOZVKPCFSGHR-UHFFFAOYSA-N 0 0 294.757 3.254 20 10 CGCDRN CCN1C(=O)/C(=C\c2cnc(C(C)C)s2)SC1=S ZINC000758416008 626842709 /nfs/dbraw/zinc/84/27/09/626842709.db2.gz NWKZRNIPACQOTN-WEVVVXLNSA-N 0 0 298.458 3.488 20 10 CGCDRN Cc1cc(CNC(=O)C2=CC(=O)CS2)ccc1Cl ZINC000758745976 626858001 /nfs/dbraw/zinc/85/80/01/626858001.db2.gz UTTHMDLLXRFIBV-UHFFFAOYSA-N 0 0 281.764 3.346 20 10 CGCDRN CCC(=CC(=O)N1CCOc2cc(N(C)C)ccc21)CC ZINC000759227809 626882280 /nfs/dbraw/zinc/88/22/80/626882280.db2.gz SKZUFNBZXFJMRB-UHFFFAOYSA-N 0 0 288.391 3.224 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC12CCC2 ZINC000759762712 626920263 /nfs/dbraw/zinc/92/02/63/626920263.db2.gz VSWSZBNVBOSBRC-INIZCTEOSA-N 0 0 286.419 3.291 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CC[C@H](C)O2)cc1 ZINC000759932308 626931924 /nfs/dbraw/zinc/93/19/24/626931924.db2.gz BKHVLDMMXBNBNA-BBRMVZONSA-N 0 0 263.381 3.478 20 10 CGCDRN C[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1(C)C ZINC000760133513 626940977 /nfs/dbraw/zinc/94/09/77/626940977.db2.gz IWGJXGQHVFPAKV-HWPRWLFBSA-N 0 0 289.375 3.006 20 10 CGCDRN CC[C@@H]1C[C@@H](CN(C)c2ccc(OC)c(OC)c2)CCO1 ZINC000761222213 627026007 /nfs/dbraw/zinc/02/60/07/627026007.db2.gz RJJLWYLMAHEBQL-DZGCQCFKSA-N 0 0 293.407 3.345 20 10 CGCDRN Cc1nc(C)c(C)c(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000761872290 627070296 /nfs/dbraw/zinc/07/02/96/627070296.db2.gz FFUZDRAREDYHQU-UHFFFAOYSA-N 0 0 284.407 3.104 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2cocn2)cc1 ZINC000762954407 627132983 /nfs/dbraw/zinc/13/29/83/627132983.db2.gz RZDFFIPIIOFTHJ-UHFFFAOYSA-N 0 0 273.380 3.153 20 10 CGCDRN C[C@H](Cc1cccc(F)c1)N(C)C(=O)C1=CC(=O)CS1 ZINC000839797100 627202692 /nfs/dbraw/zinc/20/26/92/627202692.db2.gz KHCFOABVQKSXQZ-SNVBAGLBSA-N 0 0 293.363 3.296 20 10 CGCDRN COc1ccc(O)c(CNc2cc(C)ccc2F)c1 ZINC000020471514 634558167 /nfs/dbraw/zinc/55/81/67/634558167.db2.gz NCDMMGOWEBLUMJ-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1coc(C2CC2)n1 ZINC000765657805 627265892 /nfs/dbraw/zinc/26/58/92/627265892.db2.gz NEWKOLHJJZRDCC-UHFFFAOYSA-N 0 0 299.374 3.017 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1nnc(C2CC2)o1 ZINC000766267303 627307630 /nfs/dbraw/zinc/30/76/30/627307630.db2.gz BJHNWHQGNJEHQV-UHFFFAOYSA-N 0 0 299.374 3.299 20 10 CGCDRN CC(C)[C@H](C)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768270374 627471793 /nfs/dbraw/zinc/47/17/93/627471793.db2.gz ZECZPHFCTSUWKM-VIFPVBQESA-N 0 0 286.759 3.430 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cnn(C)c2C2CC2)c(O)c1 ZINC000769990206 627595818 /nfs/dbraw/zinc/59/58/18/627595818.db2.gz QDBJDYSVNZNXMY-NSHDSACASA-N 0 0 271.364 3.485 20 10 CGCDRN Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000770508717 627623284 /nfs/dbraw/zinc/62/32/84/627623284.db2.gz GBGKWIIJMRKVKR-INIZCTEOSA-N 0 0 269.344 3.435 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2ncc(Cl)s2)cc1 ZINC000770609493 627631364 /nfs/dbraw/zinc/63/13/64/627631364.db2.gz CRJKHPYXRRXSOO-UHFFFAOYSA-N 0 0 295.839 3.495 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(Cl)s2)cc1OC ZINC000770663637 627635045 /nfs/dbraw/zinc/63/50/45/627635045.db2.gz AKCFYOBSFAFCNF-UHFFFAOYSA-N 0 0 298.795 3.450 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCCC(F)(F)F ZINC000770781925 627645090 /nfs/dbraw/zinc/64/50/90/627645090.db2.gz ZFSHJKWDJDEPSD-UHFFFAOYSA-N 0 0 275.270 3.083 20 10 CGCDRN Oc1ccccc1CNc1ncnc2ccc(F)cc21 ZINC000771181153 627688771 /nfs/dbraw/zinc/68/87/71/627688771.db2.gz RTJPPMJHHXOQKH-UHFFFAOYSA-N 0 0 269.279 3.087 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)C)cc1 ZINC000771931742 627745581 /nfs/dbraw/zinc/74/55/81/627745581.db2.gz TXWLNVOENYUPPD-DLBZAZTESA-N 0 0 288.435 3.441 20 10 CGCDRN CSCCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773007329 627840499 /nfs/dbraw/zinc/84/04/99/627840499.db2.gz GXMRJTAFNJNGMW-GFCCVEGCSA-N 0 0 280.437 3.073 20 10 CGCDRN O=C(NCc1ccccc1O)/C(F)=C\C1CCCCC1 ZINC000774062419 627941084 /nfs/dbraw/zinc/94/10/84/627941084.db2.gz DETWELFTCJYETE-GXDHUFHOSA-N 0 0 277.339 3.442 20 10 CGCDRN C[C@@H]([NH2+]CC1(CO)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774210533 627963384 /nfs/dbraw/zinc/96/33/84/627963384.db2.gz TXCLXHMTRJJXRX-MRVPVSSYSA-N 0 0 290.190 3.122 20 10 CGCDRN C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000774485831 627998054 /nfs/dbraw/zinc/99/80/54/627998054.db2.gz GNTVDYFKYAQMBX-ZDUSSCGKSA-N 0 0 294.414 3.304 20 10 CGCDRN COc1c(O)c(CNc2ccccc2C)ccc1[N+](=O)[O-] ZINC000774912453 628048803 /nfs/dbraw/zinc/04/88/03/628048803.db2.gz BWCCTDKKOYQEQB-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN CC[C@@H](NCc1cocn1)c1cc(Cl)ccc1O ZINC000775538113 628104587 /nfs/dbraw/zinc/10/45/87/628104587.db2.gz ULKWASHLYXXPQE-GFCCVEGCSA-N 0 0 266.728 3.275 20 10 CGCDRN COCC[N@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000775656348 628120371 /nfs/dbraw/zinc/12/03/71/628120371.db2.gz FIRJGCAGMQFMAG-UHFFFAOYSA-N 0 0 283.799 3.437 20 10 CGCDRN CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775763497 628134546 /nfs/dbraw/zinc/13/45/46/628134546.db2.gz HMGCHCQGBRTTQY-LLVKDONJSA-N 0 0 284.743 3.184 20 10 CGCDRN Cc1ccc2c(c1)O[C@@H](C)CN2Cc1ccccc1O ZINC000776523287 628216696 /nfs/dbraw/zinc/21/66/96/628216696.db2.gz BLNQCBUPFOBZHO-ZDUSSCGKSA-N 0 0 269.344 3.488 20 10 CGCDRN CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000776615695 628223407 /nfs/dbraw/zinc/22/34/07/628223407.db2.gz OHMLPDVAXBEXTM-OAHLLOKOSA-N 0 0 285.343 3.225 20 10 CGCDRN CCC1(CC)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000777217327 628256816 /nfs/dbraw/zinc/25/68/16/628256816.db2.gz LZZKFJCZHUHMIK-UHFFFAOYSA-N 0 0 267.394 3.496 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2cccc(F)c2C1 ZINC000779020923 628383348 /nfs/dbraw/zinc/38/33/48/628383348.db2.gz PLQIYHMTUROZKY-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN CCOc1c(Cl)cccc1C=C1SC(=S)NC1=O ZINC000779220875 628394721 /nfs/dbraw/zinc/39/47/21/628394721.db2.gz JZTVTMQEVUWEBS-TWGQIWQCSA-N 0 0 299.804 3.228 20 10 CGCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000779432155 628413302 /nfs/dbraw/zinc/41/33/02/628413302.db2.gz LWWFKQKMIRTPAR-OCCSQVGLSA-N 0 0 297.826 3.275 20 10 CGCDRN CC(C)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779521195 628416536 /nfs/dbraw/zinc/41/65/36/628416536.db2.gz XJIVNNQENUGDER-KGXGESDWSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1cscc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779533240 628416591 /nfs/dbraw/zinc/41/65/91/628416591.db2.gz CSBSMYMWPYFCGP-HWKANZROSA-N 0 0 275.329 3.120 20 10 CGCDRN Cc1noc2ncc(NCc3cc(C)ccc3O)cc12 ZINC000780395532 628486476 /nfs/dbraw/zinc/48/64/76/628486476.db2.gz NVCASGWGELIBBG-UHFFFAOYSA-N 0 0 269.304 3.157 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000780469290 628491761 /nfs/dbraw/zinc/49/17/61/628491761.db2.gz WAKKJSRKHHVSMN-IUODEOHRSA-N 0 0 289.423 3.049 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780876688 628521756 /nfs/dbraw/zinc/52/17/56/628521756.db2.gz DIZVTQFCTAJUOR-LBPRGKRZSA-N 0 0 285.343 3.206 20 10 CGCDRN Cc1ccc(C(=O)NC2CC(c3ccccc3)C2)c(O)c1O ZINC000780927362 628524545 /nfs/dbraw/zinc/52/45/45/628524545.db2.gz ILZPSWRKFONIBS-UHFFFAOYSA-N 0 0 297.354 3.082 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)C2CCCCC2)c(O)c1O ZINC000780956558 628526282 /nfs/dbraw/zinc/52/62/82/628526282.db2.gz YBYAMDCHBIULSH-NSHDSACASA-N 0 0 277.364 3.105 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000782013778 628610137 /nfs/dbraw/zinc/61/01/37/628610137.db2.gz OZNFMPFZTHTUHJ-GFCCVEGCSA-N 0 0 261.365 3.177 20 10 CGCDRN COC[C@@H](C)CN1CCCc2cc(OC(F)F)ccc21 ZINC000783668153 628737093 /nfs/dbraw/zinc/73/70/93/628737093.db2.gz MCPSMPPMKLTOQU-NSHDSACASA-N 0 0 285.334 3.323 20 10 CGCDRN CC(C)[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000784038943 628770606 /nfs/dbraw/zinc/77/06/06/628770606.db2.gz LOWJRDZWMFPPRK-INIZCTEOSA-N 0 0 292.398 3.238 20 10 CGCDRN CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C ZINC000784666952 628828077 /nfs/dbraw/zinc/82/80/77/628828077.db2.gz CNEXOBMWKOKPHT-NOZJJQNGSA-N 0 0 287.762 3.042 20 10 CGCDRN C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000875295635 634688602 /nfs/dbraw/zinc/68/86/02/634688602.db2.gz TXAHVKRGYNWSSD-NSHDSACASA-N 0 0 276.380 3.100 20 10 CGCDRN CC[C@@]1(C)CN(Cc2c(O)cccc2Cl)CCO1 ZINC000785984456 628904116 /nfs/dbraw/zinc/90/41/16/628904116.db2.gz FHDJRNSNZJSWMX-AWEZNQCLSA-N 0 0 269.772 3.047 20 10 CGCDRN Cc1coc(C)c1C(=O)NCCCSc1nccs1 ZINC000786159581 628916987 /nfs/dbraw/zinc/91/69/87/628916987.db2.gz SEVUZEHMLUFXKI-UHFFFAOYSA-N 0 0 296.417 3.265 20 10 CGCDRN Cc1ccncc1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000875447699 634700087 /nfs/dbraw/zinc/70/00/87/634700087.db2.gz KEUVGOSPIRLUJE-CHWSQXEVSA-N 0 0 299.374 3.217 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCSC1 ZINC000787269286 629006273 /nfs/dbraw/zinc/00/62/73/629006273.db2.gz AXSZPMCGEJZJJW-GFCCVEGCSA-N 0 0 263.406 3.201 20 10 CGCDRN COC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788562333 629065117 /nfs/dbraw/zinc/06/51/17/629065117.db2.gz GVZXHDMRTGLRBF-UWVGGRQHSA-N 0 0 291.313 3.344 20 10 CGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1C ZINC000790415765 629209556 /nfs/dbraw/zinc/20/95/56/629209556.db2.gz LZZCXCAKRUVOEN-UHFFFAOYSA-N 0 0 291.372 3.064 20 10 CGCDRN Oc1ccccc1CNc1ncc(C(F)(F)F)s1 ZINC000790763688 629229380 /nfs/dbraw/zinc/22/93/80/629229380.db2.gz MMLRDWQXINELDQ-UHFFFAOYSA-N 0 0 274.267 3.480 20 10 CGCDRN CC1(C)C[C@@H](NC(=O)c2cccc(O)c2O)c2ccccc21 ZINC000790897595 629240146 /nfs/dbraw/zinc/24/01/46/629240146.db2.gz OGTBHXXALFMOMW-CQSZACIVSA-N 0 0 297.354 3.250 20 10 CGCDRN CN(C)c1ccc(CN2CCO[C@@H](C(C)(C)C)C2)cc1F ZINC000790930679 629241521 /nfs/dbraw/zinc/24/15/21/629241521.db2.gz GWMVBWMBCWMREM-MRXNPFEDSA-N 0 0 294.414 3.139 20 10 CGCDRN CC[C@H](C[C@H](C)CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790970441 629244486 /nfs/dbraw/zinc/24/44/86/629244486.db2.gz JDIFKRSORWOTJU-VHSXEESVSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792166870 629342230 /nfs/dbraw/zinc/34/22/30/629342230.db2.gz UVEWYSSFBCZNIK-DTWKUNHWSA-N 0 0 257.736 3.415 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000792171087 629343968 /nfs/dbraw/zinc/34/39/68/629343968.db2.gz XPVSYPILLJPDQE-GXFFZTMASA-N 0 0 299.773 3.186 20 10 CGCDRN CC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC000862353965 629347521 /nfs/dbraw/zinc/34/75/21/629347521.db2.gz HBQDEOFBPJFVKZ-ZDUSSCGKSA-N 0 0 298.377 3.032 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ccn2)cc1F ZINC000792236545 629351664 /nfs/dbraw/zinc/35/16/64/629351664.db2.gz CUHRVNDSDPBTHA-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN O=C(NCC(C1CCC1)C1CCC1)C1=CC(=O)CS1 ZINC000862397095 629361337 /nfs/dbraw/zinc/36/13/37/629361337.db2.gz BINQFHIWNAOQOP-UHFFFAOYSA-N 0 0 279.405 3.400 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(F)c2C)cc1 ZINC000862401343 629363805 /nfs/dbraw/zinc/36/38/05/629363805.db2.gz OLGWPTWKRBGQKL-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN Cc1cc(C)nc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000125578559 634731687 /nfs/dbraw/zinc/73/16/87/634731687.db2.gz CCMLEFHVVXDVLZ-UHFFFAOYSA-N 0 0 298.390 3.086 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2C=CCCC2)c1 ZINC000862757457 629430087 /nfs/dbraw/zinc/43/00/87/629430087.db2.gz VCNSQLFGDUSVAY-ZDUSSCGKSA-N 0 0 259.349 3.063 20 10 CGCDRN CCCc1occc1C(=O)NCc1cc(C)ccc1O ZINC000862755747 629430139 /nfs/dbraw/zinc/43/01/39/629430139.db2.gz KIRRBRVXVUVUCD-UHFFFAOYSA-N 0 0 273.332 3.176 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(OC(F)F)cn2)c1 ZINC000793267625 629437809 /nfs/dbraw/zinc/43/78/09/629437809.db2.gz YVWREEZPGIQZMT-UHFFFAOYSA-N 0 0 280.274 3.309 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](OC)[C@@H](C)CC ZINC000793654934 629493541 /nfs/dbraw/zinc/49/35/41/629493541.db2.gz GUZJJNINBSCMIG-XJKSGUPXSA-N 0 0 293.407 3.192 20 10 CGCDRN CC[C@@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000794376252 629537876 /nfs/dbraw/zinc/53/78/76/629537876.db2.gz DCYYZELLBFWYSN-MRXNPFEDSA-N 0 0 299.370 3.211 20 10 CGCDRN CCC(CC)(CC)C(=O)NCc1ccc(OC)cc1O ZINC000794388063 629538390 /nfs/dbraw/zinc/53/83/90/629538390.db2.gz NTPCHIDJQUYFSX-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN COCCOC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000795194970 629642356 /nfs/dbraw/zinc/64/23/56/629642356.db2.gz XJLVJGJPVKLSAK-UHFFFAOYSA-N 0 0 291.322 3.036 20 10 CGCDRN COc1ccc(CNc2ncnc3c(C)cccc23)c(O)c1 ZINC000795290735 629656954 /nfs/dbraw/zinc/65/69/54/629656954.db2.gz VWXBKWWOZDZOKT-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CCC(C)=C(C)C2)cc1OC ZINC000795302168 629657893 /nfs/dbraw/zinc/65/78/93/629657893.db2.gz GQAXGQMOJWWFKP-UHFFFAOYSA-N 0 0 292.335 3.159 20 10 CGCDRN O=C(N[C@H]1CCCc2ccc(F)cc21)C1=CC(=O)CS1 ZINC000795651991 629705797 /nfs/dbraw/zinc/70/57/97/629705797.db2.gz ODSOHYQJSDEJOD-ZDUSSCGKSA-N 0 0 291.347 3.400 20 10 CGCDRN CC[C@@H]1C[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836405282 634757687 /nfs/dbraw/zinc/75/76/87/634757687.db2.gz BZJDLQNLYTUHGJ-NFAWXSAZSA-N 0 0 289.423 3.159 20 10 CGCDRN C[C@H](NC(=O)NCCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000836405648 634757779 /nfs/dbraw/zinc/75/77/79/634757779.db2.gz KEKUQJFUHQEXGO-NSHDSACASA-N 0 0 299.365 3.158 20 10 CGCDRN CCc1cccc(CNc2cccc(-n3nccn3)c2)c1O ZINC000864044356 629737000 /nfs/dbraw/zinc/73/70/00/629737000.db2.gz XYGKTWBTFUACHF-UHFFFAOYSA-N 0 0 294.358 3.147 20 10 CGCDRN COc1ccc(CNC(=O)c2ccoc2C(C)C)c(O)c1 ZINC000796350521 629770298 /nfs/dbraw/zinc/77/02/98/629770298.db2.gz ODGAWJGWVTVABG-UHFFFAOYSA-N 0 0 289.331 3.047 20 10 CGCDRN COc1ccc(N(CCC(C)C)Cc2cnn(C)c2)cc1 ZINC000796502759 629790461 /nfs/dbraw/zinc/79/04/61/629790461.db2.gz DJFDITZGDIWGLJ-UHFFFAOYSA-N 0 0 287.407 3.481 20 10 CGCDRN COCCN(CCC(C)C)c1ccc(OC)cc1 ZINC000796502789 629790778 /nfs/dbraw/zinc/79/07/78/629790778.db2.gz DVZAHCJHUSDIBY-UHFFFAOYSA-N 0 0 251.370 3.194 20 10 CGCDRN CC1(C)CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000836494438 634770575 /nfs/dbraw/zinc/77/05/75/634770575.db2.gz PZOAVHWPKIMXEO-CYBMUJFWSA-N 0 0 276.380 3.018 20 10 CGCDRN Cc1oc2ncnc(NCc3cc(C)ccc3O)c2c1C ZINC000864355741 629817217 /nfs/dbraw/zinc/81/72/17/629817217.db2.gz QBJPILBHLJEMDM-UHFFFAOYSA-N 0 0 283.331 3.466 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cncc(C)c1)c1ccc(F)cc1[O-] ZINC000796846832 629846958 /nfs/dbraw/zinc/84/69/58/629846958.db2.gz QWIZTEJKLSPCNV-OAHLLOKOSA-N 0 0 274.339 3.476 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(F)cc1[O-] ZINC000796947954 629864010 /nfs/dbraw/zinc/86/40/10/629864010.db2.gz KVSFGFBBQIIDDT-BYCMXARLSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1ccc(N2CCOCC2)cc1NCc1ccccc1O ZINC000797469091 629950351 /nfs/dbraw/zinc/95/03/51/629950351.db2.gz JBZCYDDOGCBACF-UHFFFAOYSA-N 0 0 298.386 3.149 20 10 CGCDRN CC/C=C/CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000836573335 634779358 /nfs/dbraw/zinc/77/93/58/634779358.db2.gz PDBUUDQVOHMBPC-ZZXKWVIFSA-N 0 0 288.391 3.036 20 10 CGCDRN CC1=CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000798090710 630021524 /nfs/dbraw/zinc/02/15/24/630021524.db2.gz YLNBZVPLEQAZKL-UHFFFAOYSA-N 0 0 255.720 3.337 20 10 CGCDRN Cc1cc(C)c(NC(=O)NCc2ccccc2O)c(C)n1 ZINC000836629463 634786609 /nfs/dbraw/zinc/78/66/09/634786609.db2.gz MXEBHRBBGACMTO-UHFFFAOYSA-N 0 0 285.347 3.034 20 10 CGCDRN CCOCc1cc(CNC2(C(F)F)CC2)ccc1OC ZINC000800310985 630265061 /nfs/dbraw/zinc/26/50/61/630265061.db2.gz NWHFXAODXMTREL-UHFFFAOYSA-N 0 0 285.334 3.119 20 10 CGCDRN CCN(CCOCC(C)C)c1ccc(OC)cc1 ZINC000800355607 630267200 /nfs/dbraw/zinc/26/72/00/630267200.db2.gz IKSYASSDEKTEMY-UHFFFAOYSA-N 0 0 251.370 3.194 20 10 CGCDRN CCN(CCOCC(C)C)c1ccc(OC)c(OC)c1 ZINC000800354915 630267611 /nfs/dbraw/zinc/26/76/11/630267611.db2.gz IFAAILCKTQXBRR-UHFFFAOYSA-N 0 0 281.396 3.203 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)C1CC1 ZINC000839920823 630296911 /nfs/dbraw/zinc/29/69/11/630296911.db2.gz UOTSTOWWKRZYTI-ZIAGYGMSSA-N 0 0 288.435 3.154 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccoc1 ZINC000801549410 630342966 /nfs/dbraw/zinc/34/29/66/630342966.db2.gz NGWVJKLGLTUJCY-UHFFFAOYSA-N 0 0 287.359 3.357 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000801548849 630343042 /nfs/dbraw/zinc/34/30/42/630343042.db2.gz SVSYHIOFGBGRMD-STQMWFEESA-N 0 0 297.345 3.422 20 10 CGCDRN Cc1cc(C(=O)N2CCC[C@H]3C[C@H]32)c(C)n1-c1ccccn1 ZINC000804298350 630517212 /nfs/dbraw/zinc/51/72/12/630517212.db2.gz MNESTSSOLQMPCB-GOEBONIOSA-N 0 0 295.386 3.114 20 10 CGCDRN C[C@H](Nc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000804621739 630543761 /nfs/dbraw/zinc/54/37/61/630543761.db2.gz DXOYVMFQIWXRBP-NSHDSACASA-N 0 0 259.328 3.460 20 10 CGCDRN CC[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(Cl)c1[O-] ZINC000806162199 630551984 /nfs/dbraw/zinc/55/19/84/630551984.db2.gz YIYSFQMREDLEDQ-CYBMUJFWSA-N 0 0 283.799 3.249 20 10 CGCDRN CC(C)(C)c1cnc(SCCc2cn[nH]c2)s1 ZINC000806590969 630569832 /nfs/dbraw/zinc/56/98/32/630569832.db2.gz UURNMDGRWFPUPD-UHFFFAOYSA-N 0 0 267.423 3.499 20 10 CGCDRN C[C@H](NC(=O)N1CCC[C@H]2C[C@H]21)c1ccc(N(C)C)cc1 ZINC000807141337 630584295 /nfs/dbraw/zinc/58/42/95/630584295.db2.gz RPIRVVBOUBKOGE-DUVNUKRYSA-N 0 0 287.407 3.008 20 10 CGCDRN C[C@@]1(F)CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000840099395 630592636 /nfs/dbraw/zinc/59/26/36/630592636.db2.gz HJTCAPTYYSOXDP-MRXNPFEDSA-N 0 0 263.356 3.205 20 10 CGCDRN CC(=O)C(=O)COC(=O)c1ccc(C2CCCCC2)cc1 ZINC000808496522 630651853 /nfs/dbraw/zinc/65/18/53/630651853.db2.gz SSMJTBJYDSXXKC-UHFFFAOYSA-N 0 0 288.343 3.049 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2cccc(F)c21 ZINC000809767452 630802699 /nfs/dbraw/zinc/80/26/99/630802699.db2.gz LJPDPZCIQVPGAX-UHFFFAOYSA-N 0 0 261.271 3.233 20 10 CGCDRN CC(C)C[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809767862 630803692 /nfs/dbraw/zinc/80/36/92/630803692.db2.gz WDSMPBKQWRMRJD-GFCCVEGCSA-N 0 0 289.778 3.024 20 10 CGCDRN CCOc1ccc(CNc2ccc3c(c2)C(=O)OC3)c(O)c1 ZINC000809787986 630809793 /nfs/dbraw/zinc/80/97/93/630809793.db2.gz GDDMYDLHMKJKOS-UHFFFAOYSA-N 0 0 299.326 3.073 20 10 CGCDRN CN(C)c1ccc(OCc2cccc(Cl)n2)cc1 ZINC000810002270 630827031 /nfs/dbraw/zinc/82/70/31/630827031.db2.gz WAPDSNYMIGQSGI-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN COc1cc(F)c(F)cc1NCc1cc(F)ccc1O ZINC000811511989 631079547 /nfs/dbraw/zinc/07/95/47/631079547.db2.gz ABMBEIRJYLRPHV-UHFFFAOYSA-N 0 0 283.249 3.430 20 10 CGCDRN COc1ccc(O)c(CNc2nccc(C)c2Cl)c1 ZINC000811806216 631121095 /nfs/dbraw/zinc/12/10/95/631121095.db2.gz MSOSQFGEFQXYOS-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(OC(F)F)cn2)c1 ZINC000811806213 631121239 /nfs/dbraw/zinc/12/12/39/631121239.db2.gz MOXSIEUTLWKQDT-UHFFFAOYSA-N 0 0 296.273 3.009 20 10 CGCDRN Clc1ccc(NCc2ccc(N3CCCC3)cc2)nn1 ZINC000811836711 631125455 /nfs/dbraw/zinc/12/54/55/631125455.db2.gz KWCNRZKCFLGCFG-UHFFFAOYSA-N 0 0 288.782 3.342 20 10 CGCDRN O=C(CCCC1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000812522848 631270898 /nfs/dbraw/zinc/27/08/98/631270898.db2.gz POCXXFKMSZOQEV-UHFFFAOYSA-N 0 0 287.403 3.468 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CC(C2CC2)C1 ZINC000812775099 631306125 /nfs/dbraw/zinc/30/61/25/631306125.db2.gz FZHJSNKGGPWJOC-UHFFFAOYSA-N 0 0 255.720 3.027 20 10 CGCDRN COC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000813603120 631443221 /nfs/dbraw/zinc/44/32/21/631443221.db2.gz RCPXZMMKZYTNKY-LBPRGKRZSA-N 0 0 299.374 3.107 20 10 CGCDRN CC[C@H]1CCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000813719991 631456187 /nfs/dbraw/zinc/45/61/87/631456187.db2.gz QJOLOTYAIOFISS-JSGCOSHPSA-N 0 0 275.396 3.008 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NC1CCC1 ZINC000814191995 631544353 /nfs/dbraw/zinc/54/43/53/631544353.db2.gz NIZASUBHJABNQO-UHFFFAOYSA-N 0 0 291.464 3.002 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2sccc2F)cc1 ZINC000814818733 631648292 /nfs/dbraw/zinc/64/82/92/631648292.db2.gz GTTPDBLGMISRMN-UHFFFAOYSA-N 0 0 292.379 3.225 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccnc2cccnc21 ZINC000814851876 631655768 /nfs/dbraw/zinc/65/57/68/631655768.db2.gz ZIQWVRFSYZKXOD-UHFFFAOYSA-N 0 0 292.386 3.038 20 10 CGCDRN C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]2C[C@H]2C1 ZINC000815008660 631704229 /nfs/dbraw/zinc/70/42/29/631704229.db2.gz JVKXZWSZKQSWTA-MNZLEMJZSA-N 0 0 298.430 3.339 20 10 CGCDRN CCc1ccc(CN(C)c2ccc(OC)c(F)c2)nc1 ZINC000815061280 631709467 /nfs/dbraw/zinc/70/94/67/631709467.db2.gz ORLRCPWMQMIOIQ-UHFFFAOYSA-N 0 0 274.339 3.428 20 10 CGCDRN COC1(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000815642178 631810929 /nfs/dbraw/zinc/81/09/29/631810929.db2.gz UOPDGIGTANKHTI-SNVBAGLBSA-N 0 0 285.334 3.280 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1(C)C ZINC000816555041 632009808 /nfs/dbraw/zinc/00/98/08/632009808.db2.gz RICDCMKENXDAGC-QWHCGFSZSA-N 0 0 287.762 3.088 20 10 CGCDRN Cc1c(NCc2ccc3ccccc3c2O)cnn1C ZINC000816560010 632012460 /nfs/dbraw/zinc/01/24/60/632012460.db2.gz BTVAYOCNXDTCPG-UHFFFAOYSA-N 0 0 267.332 3.199 20 10 CGCDRN CCc1nn(C)cc1NCc1ccc2ccccc2c1O ZINC000816560592 632012761 /nfs/dbraw/zinc/01/27/61/632012761.db2.gz TXIJRQGIIMGKMM-UHFFFAOYSA-N 0 0 281.359 3.453 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cnn(C)c2Cl)cc1 ZINC000816592014 632020051 /nfs/dbraw/zinc/02/00/51/632020051.db2.gz UZZFPPDHFLLSBY-UHFFFAOYSA-N 0 0 293.798 3.497 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC(C2CC2)C1 ZINC000816616125 632024457 /nfs/dbraw/zinc/02/44/57/632024457.db2.gz OSPSJORBFJOALJ-UHFFFAOYSA-N 0 0 255.720 3.027 20 10 CGCDRN CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000817415456 632145348 /nfs/dbraw/zinc/14/53/48/632145348.db2.gz TUNUIECUMKSWSQ-RYUDHWBXSA-N 0 0 287.762 3.232 20 10 CGCDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc(C)n1 ZINC000817588735 632192682 /nfs/dbraw/zinc/19/26/82/632192682.db2.gz JPVALVJCQMPINP-LBPRGKRZSA-N 0 0 274.339 3.394 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CO[C@@H](C)C3)cc12 ZINC000817760380 632223041 /nfs/dbraw/zinc/22/30/41/632223041.db2.gz AWRLIUWABNJIGX-GWCFXTLKSA-N 0 0 287.359 3.126 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)C1CCCCCC1 ZINC000820724682 632670063 /nfs/dbraw/zinc/67/00/63/632670063.db2.gz JKUFNDPZWUHLJL-UHFFFAOYSA-N 0 0 253.367 3.249 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)NCCC2=CCCC2)cc1 ZINC000821257422 632744547 /nfs/dbraw/zinc/74/45/47/632744547.db2.gz JKMSVNPYRVOQHB-UHFFFAOYSA-N 0 0 286.335 3.079 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cncn1C(C)C ZINC000822438072 632926817 /nfs/dbraw/zinc/92/68/17/632926817.db2.gz BQNBGWFGTZJXTJ-UHFFFAOYSA-N 0 0 271.364 3.035 20 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293.382 3.389 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000824526612 633254035 /nfs/dbraw/zinc/25/40/35/633254035.db2.gz NXAIBLMEMUGUTL-NSHDSACASA-N 0 0 298.173 3.130 20 10 CGCDRN CN(C)c1ccc(CN2CC[C@@H](F)C2)c(C(F)(F)F)c1 ZINC000824570379 633260762 /nfs/dbraw/zinc/26/07/62/633260762.db2.gz CRBRMNLEVJWGTH-LLVKDONJSA-N 0 0 290.304 3.315 20 10 CGCDRN CCC(C)(C)CCS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836171 633271337 /nfs/dbraw/zinc/27/13/37/633271337.db2.gz IIGVGYXEFCOHGC-LBPRGKRZSA-N 0 0 299.436 3.199 20 10 CGCDRN CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825006015 633317563 /nfs/dbraw/zinc/31/75/63/633317563.db2.gz WZPFPYUEHHUULH-VIFPVBQESA-N 0 0 297.761 3.252 20 10 CGCDRN Oc1ccccc1CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000825045720 633321814 /nfs/dbraw/zinc/32/18/14/633321814.db2.gz JSNPDUYRUKWZND-MRXNPFEDSA-N 0 0 287.334 3.105 20 10 CGCDRN COCC[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC000876600978 634865521 /nfs/dbraw/zinc/86/55/21/634865521.db2.gz OBVZAFGHIGAUKX-UHFFFAOYSA-N 0 0 285.334 3.061 20 10 CGCDRN CO[C@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000825104441 633329664 /nfs/dbraw/zinc/32/96/64/633329664.db2.gz XAGJZQOTXQWFGX-KBPBESRZSA-N 0 0 295.810 3.435 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133535 633331467 /nfs/dbraw/zinc/33/14/67/633331467.db2.gz JJBFBGSXVICWSV-OAHLLOKOSA-N 0 0 281.783 3.048 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCC[C@H](COC)CC2)c(O)c1 ZINC000825321594 633345107 /nfs/dbraw/zinc/34/51/07/633345107.db2.gz IGEMUKDNMCHROQ-AWEZNQCLSA-N 0 0 293.407 3.039 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000868698475 633352892 /nfs/dbraw/zinc/35/28/92/633352892.db2.gz HXQQDZGRBNACLK-DIOULYMOSA-N 0 0 276.380 3.187 20 10 CGCDRN CC(C(=O)NCc1ccc2c(c1)CCCN2C)=C1CCC1 ZINC000825511636 633360008 /nfs/dbraw/zinc/36/00/08/633360008.db2.gz YIQIIVRWYOHNSL-UHFFFAOYSA-N 0 0 284.403 3.186 20 10 CGCDRN CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825568328 633365790 /nfs/dbraw/zinc/36/57/90/633365790.db2.gz WOIGORZMKYHHDR-MRXNPFEDSA-N 0 0 297.826 3.339 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N(C)CCC(C)(C)C)cc1 ZINC000825602025 633367164 /nfs/dbraw/zinc/36/71/64/633367164.db2.gz GMKOWYWJDAQWBZ-UHFFFAOYSA-N 0 0 291.439 3.330 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000825824933 633382974 /nfs/dbraw/zinc/38/29/74/633382974.db2.gz PYHLFQVBIVNYJG-ZBFHGGJFSA-N 0 0 295.810 3.497 20 10 CGCDRN CC[C@H](NCc1ccc(Br)cc1O)C(F)F ZINC000826029509 633399267 /nfs/dbraw/zinc/39/92/67/633399267.db2.gz GUBBEJPLWUXTSE-VIFPVBQESA-N 0 0 294.139 3.288 20 10 CGCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000826043603 633400327 /nfs/dbraw/zinc/40/03/27/633400327.db2.gz LXXGRGWLHFUENR-RYUDHWBXSA-N 0 0 267.394 3.398 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000827151942 633464886 /nfs/dbraw/zinc/46/48/86/633464886.db2.gz NQBKPXAVFZSGRR-INIZCTEOSA-N 0 0 295.810 3.091 20 10 CGCDRN CCCc1ncc(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827937055 633536645 /nfs/dbraw/zinc/53/66/45/633536645.db2.gz JEMVXUSJMXRDIJ-SNVBAGLBSA-N 0 0 290.388 3.292 20 10 CGCDRN CC(=O)[C@@H](C)CCCCC(=O)N[C@H](C)c1ccccc1O ZINC000827941740 633538097 /nfs/dbraw/zinc/53/80/97/633538097.db2.gz XNNAZPYBZCSSGH-QWHCGFSZSA-N 0 0 291.391 3.355 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000827946346 633538164 /nfs/dbraw/zinc/53/81/64/633538164.db2.gz FIRMAPWRQSRSRH-NXEZZACHSA-N 0 0 269.291 3.005 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCc2ccccc2C1)c1ccccc1O ZINC000827960731 633541296 /nfs/dbraw/zinc/54/12/96/633541296.db2.gz WETMJGVQDULHAW-BBRMVZONSA-N 0 0 295.382 3.375 20 10 CGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827968897 633542016 /nfs/dbraw/zinc/54/20/16/633542016.db2.gz CJEDFMAGFFYLMG-DETPVDSQSA-N 0 0 261.365 3.252 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000827964176 633542050 /nfs/dbraw/zinc/54/20/50/633542050.db2.gz GWAKYDJSOVKBNQ-WDEREUQCSA-N 0 0 283.318 3.395 20 10 CGCDRN C[C@H](NC(=O)CCCc1nccs1)c1ccccc1O ZINC000827964568 633542108 /nfs/dbraw/zinc/54/21/08/633542108.db2.gz QOYFQRAZYMOHRQ-NSHDSACASA-N 0 0 290.388 3.049 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CC12CCSCC2)c1ccccc1O ZINC000827964255 633542198 /nfs/dbraw/zinc/54/21/98/633542198.db2.gz JHXRNXOTHVCHFT-WCQYABFASA-N 0 0 291.416 3.103 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1ccccc1O ZINC000827970186 633542571 /nfs/dbraw/zinc/54/25/71/633542571.db2.gz YZNWTDXPHFNMCM-RWMBFGLXSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccccc1O ZINC000827973516 633543654 /nfs/dbraw/zinc/54/36/54/633543654.db2.gz SJDBGDJNKQCKDQ-AAEUAGOBSA-N 0 0 259.349 3.150 20 10 CGCDRN CC(C)CCSCC(=O)N[C@@H](C)c1ccccc1O ZINC000827978611 633544283 /nfs/dbraw/zinc/54/42/83/633544283.db2.gz YHBJQUBDIYEOLS-LBPRGKRZSA-N 0 0 281.421 3.349 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccccc1O ZINC000828535264 633625662 /nfs/dbraw/zinc/62/56/62/633625662.db2.gz QKYBZLCJBKADKU-SYQHCUMBSA-N 0 0 273.376 3.396 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845792064 636101706 /nfs/dbraw/zinc/10/17/06/636101706.db2.gz PZCDQPVUGGHMDR-HUUCEWRRSA-N 0 0 273.376 3.177 20 10 CGCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871200114 633722809 /nfs/dbraw/zinc/72/28/09/633722809.db2.gz ZBLYQUHJYHLSGC-CYBMUJFWSA-N 0 0 281.355 3.428 20 10 CGCDRN Cc1ccc(O[C@@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199485 633722863 /nfs/dbraw/zinc/72/28/63/633722863.db2.gz QELZOAGRYYYBRP-ZDUSSCGKSA-N 0 0 297.354 3.010 20 10 CGCDRN O=C(c1cccc2c1CCC2)N1Cc2cccc(O)c2C1 ZINC000871200875 633723697 /nfs/dbraw/zinc/72/36/97/633723697.db2.gz LHWCMQZIJOTYKB-UHFFFAOYSA-N 0 0 279.339 3.037 20 10 CGCDRN CN(C)c1ccc(/C=C/CN2CCC[C@@H](F)C2)cc1 ZINC000846120516 636147436 /nfs/dbraw/zinc/14/74/36/636147436.db2.gz RCKGUYKEJCGPQQ-SJDLMVEWSA-N 0 0 262.372 3.200 20 10 CGCDRN COCC(C)(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000872104392 634024965 /nfs/dbraw/zinc/02/49/65/634024965.db2.gz CNUXZSNXHKOCCS-SNVBAGLBSA-N 0 0 287.350 3.384 20 10 CGCDRN CCCOc1ccc(CNCc2nnc(C)s2)cc1C ZINC000873102562 634246256 /nfs/dbraw/zinc/24/62/56/634246256.db2.gz QETMELLBRZACHG-UHFFFAOYSA-N 0 0 291.420 3.234 20 10 CGCDRN C[C@H]([NH2+]CCCC1CCOCC1)c1ccc(F)cc1[O-] ZINC000834818788 634246393 /nfs/dbraw/zinc/24/63/93/634246393.db2.gz OZJDBUIIXPXGPV-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccnc(C)c1)c1ccc(F)cc1[O-] ZINC000834859581 634257818 /nfs/dbraw/zinc/25/78/18/634257818.db2.gz DTXVVINFODBPEE-HNNXBMFYSA-N 0 0 274.339 3.476 20 10 CGCDRN CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000834902721 634279320 /nfs/dbraw/zinc/27/93/20/634279320.db2.gz FUDMLVBERAFJDJ-XWRVAKJBSA-N 0 0 285.334 3.135 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2cn(C)nc2C2CC2)cc1 ZINC000835056916 634341099 /nfs/dbraw/zinc/34/10/99/634341099.db2.gz WUKMCRYGHDMDLO-PLNGDYQASA-N 0 0 296.418 3.489 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCCc3ccc(C)nc32)c1 ZINC000876488610 634845129 /nfs/dbraw/zinc/84/51/29/634845129.db2.gz FZJLJFGJOZIAOG-VURMDHGXSA-N 0 0 293.370 3.086 20 10 CGCDRN CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(N)cc2)C1(C)C ZINC000837303260 634882139 /nfs/dbraw/zinc/88/21/39/634882139.db2.gz CFLRBSCSLAOWMJ-HUUCEWRRSA-N 0 0 272.392 3.123 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000837320394 634885872 /nfs/dbraw/zinc/88/58/72/634885872.db2.gz GSQSJAQVHCOAHL-ZDUSSCGKSA-N 0 0 274.408 3.147 20 10 CGCDRN COc1ccc(NCc2ccc(C)cc2O)c(OC)c1 ZINC000876818568 634905951 /nfs/dbraw/zinc/90/59/51/634905951.db2.gz VZSFOQCAJXCYDP-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC1=CCCCC1 ZINC000837587226 634942576 /nfs/dbraw/zinc/94/25/76/634942576.db2.gz JJSWAQFRRDZWKF-CLFYSBASSA-N 0 0 274.316 3.155 20 10 CGCDRN CC1=CC[C@](C)(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877075093 634972904 /nfs/dbraw/zinc/97/29/04/634972904.db2.gz ZGZIWZJDLPXUOO-INIZCTEOSA-N 0 0 258.365 3.368 20 10 CGCDRN CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccc(N)cc1 ZINC000877074718 634972908 /nfs/dbraw/zinc/97/29/08/634972908.db2.gz QWHQNFFXUPKOOZ-UONOGXRCSA-N 0 0 272.373 3.097 20 10 CGCDRN Cc1cc2c(cc1C)[C@H](C(=O)N(C)c1ccc(N)cc1)CO2 ZINC000877075518 634973371 /nfs/dbraw/zinc/97/33/71/634973371.db2.gz DZNVKYLNWBYRND-MRXNPFEDSA-N 0 0 296.370 3.025 20 10 CGCDRN C[C@@H](CCOc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877077546 634975813 /nfs/dbraw/zinc/97/58/13/634975813.db2.gz MNBNUYHREHDCRP-AWEZNQCLSA-N 0 0 298.386 3.337 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CC(=O)N(C)c1ccc(N)cc1 ZINC000877078183 634975893 /nfs/dbraw/zinc/97/58/93/634975893.db2.gz HLXVVEHBKGAPKZ-CHWSQXEVSA-N 0 0 260.381 3.448 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1conc1C ZINC000888745571 635033499 /nfs/dbraw/zinc/03/34/99/635033499.db2.gz VRMVIMMCBKPLMG-UHFFFAOYSA-N 0 0 289.335 3.133 20 10 CGCDRN CC(=O)N1CCc2c1cccc2NCc1ccc(C)cc1O ZINC000877397094 635034008 /nfs/dbraw/zinc/03/40/08/635034008.db2.gz DBVOOUYQDRVMDQ-UHFFFAOYSA-N 0 0 296.370 3.222 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCCC23CCOCC3)ccc(F)c1F ZINC000877499249 635062069 /nfs/dbraw/zinc/06/20/69/635062069.db2.gz DHOZTTGUPUVOBV-ZDUSSCGKSA-N 0 0 297.345 3.109 20 10 CGCDRN CCc1nnc(NCc2c(O)cc(C)cc2Cl)s1 ZINC000840877874 635071452 /nfs/dbraw/zinc/07/14/52/635071452.db2.gz BIWJWHDCKJGEFT-UHFFFAOYSA-N 0 0 283.784 3.380 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C2CC2)nn1 ZINC000840885554 635074512 /nfs/dbraw/zinc/07/45/12/635074512.db2.gz WVKABOISABUEMO-UHFFFAOYSA-N 0 0 282.391 3.341 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(F)cc1[O-] ZINC000840895234 635078222 /nfs/dbraw/zinc/07/82/22/635078222.db2.gz ZGUIQMNIYBTAKB-KYOSRNDESA-N 0 0 281.371 3.123 20 10 CGCDRN COCC[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840954772 635092122 /nfs/dbraw/zinc/09/21/22/635092122.db2.gz JXPGXOJXOLJTTR-VIFPVBQESA-N 0 0 292.206 3.461 20 10 CGCDRN CCOc1ccc(CNc2ccc(N)cc2)cc1OC ZINC000841040127 635112233 /nfs/dbraw/zinc/11/22/33/635112233.db2.gz JIHSWOFYHPGYDA-UHFFFAOYSA-N 0 0 272.348 3.288 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)ccc(F)c1F ZINC000877613692 635112258 /nfs/dbraw/zinc/11/22/58/635112258.db2.gz AFHULISPQZLYNT-CYBMUJFWSA-N 0 0 289.272 3.292 20 10 CGCDRN CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCC(C)(C)C1 ZINC000841297058 635148212 /nfs/dbraw/zinc/14/82/12/635148212.db2.gz MDAQGPNHQCTCQC-ZDUSSCGKSA-N 0 0 261.369 3.311 20 10 CGCDRN CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(N)cc1 ZINC000841296731 635148653 /nfs/dbraw/zinc/14/86/53/635148653.db2.gz YLFOGWOACSUFQQ-VIFPVBQESA-N 0 0 275.274 3.121 20 10 CGCDRN CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841300129 635150153 /nfs/dbraw/zinc/15/01/53/635150153.db2.gz OHEKBDWINAJVOX-KGLIPLIRSA-N 0 0 293.436 3.455 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877703453 635155207 /nfs/dbraw/zinc/15/52/07/635155207.db2.gz KJXNRWSCUSOWBR-VXNVDRBHSA-N 0 0 265.662 3.086 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)OCCCF)cc1 ZINC000841476724 635182469 /nfs/dbraw/zinc/18/24/69/635182469.db2.gz PRZRHUDMOSTZGN-UHFFFAOYSA-N 0 0 296.386 3.461 20 10 CGCDRN Oc1ccc(F)cc1CNc1cccc2c1OCCCO2 ZINC000877768011 635194477 /nfs/dbraw/zinc/19/44/77/635194477.db2.gz GXJMQDDZOSMDBU-UHFFFAOYSA-N 0 0 289.306 3.305 20 10 CGCDRN [O-]c1c(C[NH2+]C2([C@@H]3CCCCO3)CCC2)ccc(F)c1F ZINC000877771371 635198127 /nfs/dbraw/zinc/19/81/27/635198127.db2.gz OUWKCECJWIVDPT-ZDUSSCGKSA-N 0 0 297.345 3.252 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877805761 635209686 /nfs/dbraw/zinc/20/96/86/635209686.db2.gz LAUXDVJTBJDARG-WFBYXXMGSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@@H](NCc1cscn1)c1ccc(Cl)cc1O ZINC000841746623 635221540 /nfs/dbraw/zinc/22/15/40/635221540.db2.gz JJNLOCYAGUHLLC-MRVPVSSYSA-N 0 0 268.769 3.353 20 10 CGCDRN C[C@H]([NH2+]CCCCCCO)c1ccc(Cl)cc1[O-] ZINC000841752041 635225399 /nfs/dbraw/zinc/22/53/99/635225399.db2.gz QKFCHICATHKWBJ-NSHDSACASA-N 0 0 271.788 3.249 20 10 CGCDRN CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000841756306 635230243 /nfs/dbraw/zinc/23/02/43/635230243.db2.gz TYQSEUOOQNTJET-AAEUAGOBSA-N 0 0 296.367 3.012 20 10 CGCDRN C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(Cl)cc1[O-] ZINC000841758937 635232081 /nfs/dbraw/zinc/23/20/81/635232081.db2.gz WHDADVUVRDPARQ-SNVBAGLBSA-N 0 0 271.788 3.105 20 10 CGCDRN CC(C)CC(C)(C)CNC(=O)NCCc1ccc(N)cc1 ZINC000841855061 635243457 /nfs/dbraw/zinc/24/34/57/635243457.db2.gz LAKKWGFPESZJFI-UHFFFAOYSA-N 0 0 291.439 3.183 20 10 CGCDRN C[C@H]1CCC[C@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955119 635251531 /nfs/dbraw/zinc/25/15/31/635251531.db2.gz VBFGQEIDBLJKTR-KBPBESRZSA-N 0 0 289.423 3.031 20 10 CGCDRN CCC[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956367 635252954 /nfs/dbraw/zinc/25/29/54/635252954.db2.gz ACAMVYNDNBKMGQ-HNNXBMFYSA-N 0 0 289.423 3.033 20 10 CGCDRN COC(=O)c1cc(COc2ccc(N(C)C)cc2)cs1 ZINC000842043837 635264342 /nfs/dbraw/zinc/26/43/42/635264342.db2.gz PFAUSLXFUXCGGX-UHFFFAOYSA-N 0 0 291.372 3.180 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]cc2C2CC2)cc1 ZINC000877975576 635300990 /nfs/dbraw/zinc/30/09/90/635300990.db2.gz LGTMTFLXAHIEBL-UHFFFAOYSA-N 0 0 297.402 3.230 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000842926969 635512857 /nfs/dbraw/zinc/51/28/57/635512857.db2.gz BODCYFVGVOBWQG-YVZVNANGSA-N 0 0 273.348 3.215 20 10 CGCDRN Nc1ccc(Cc2noc([C@H]3CC34CCCC4)n2)cc1 ZINC000843160399 635588766 /nfs/dbraw/zinc/58/87/66/635588766.db2.gz XTBSDSAKTZXFES-CYBMUJFWSA-N 0 0 269.348 3.290 20 10 CGCDRN Nc1ccc(Cc2noc(C3CC4(CCC4)C3)n2)cc1 ZINC000843160569 635589231 /nfs/dbraw/zinc/58/92/31/635589231.db2.gz KDZOHHZPDVOWFX-UHFFFAOYSA-N 0 0 269.348 3.290 20 10 CGCDRN COc1ccc(N(Cc2nccnc2C)CC2CC2)cc1 ZINC000878674664 635601018 /nfs/dbraw/zinc/60/10/18/635601018.db2.gz CXFJHNYYCUSGIW-UHFFFAOYSA-N 0 0 283.375 3.210 20 10 CGCDRN CCc1ccccc1NC(=S)NCc1ccc(C)cn1 ZINC000843281223 635633737 /nfs/dbraw/zinc/63/37/37/635633737.db2.gz OKICBXOUFVEDMR-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2cc(C)ccc2C)nc1 ZINC000843281478 635634945 /nfs/dbraw/zinc/63/49/45/635634945.db2.gz QBXCHGMQWDEEFM-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000843293266 635639664 /nfs/dbraw/zinc/63/96/64/635639664.db2.gz QOGPQBJGICYVPO-HUUCEWRRSA-N 0 0 258.365 3.424 20 10 CGCDRN CC(C)c1nnc(CN[C@H](C)c2ccccc2O)s1 ZINC000879649011 635826812 /nfs/dbraw/zinc/82/68/12/635826812.db2.gz HILMWOXWYFAGRN-SNVBAGLBSA-N 0 0 277.393 3.218 20 10 CGCDRN C[C@H](NCc1ncc(C2CC2)o1)c1ccccc1O ZINC000879650712 635827742 /nfs/dbraw/zinc/82/77/42/635827742.db2.gz PBLJJRRHCBXFHK-JTQLQIEISA-N 0 0 258.321 3.108 20 10 CGCDRN CC(C)c1noc([C@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879651994 635827855 /nfs/dbraw/zinc/82/78/55/635827855.db2.gz SLGBQFWZPLLJMY-QWRGUYRKSA-N 0 0 275.352 3.310 20 10 CGCDRN COC(=O)[C@@H](N[C@@H](C)c1ccccc1O)c1ccccc1C ZINC000879650694 635828128 /nfs/dbraw/zinc/82/81/28/635828128.db2.gz OBEZGFKPALFTHG-GUYCJALGSA-N 0 0 299.370 3.266 20 10 CGCDRN COC(=O)[C@H](N[C@@H](C)c1ccccc1O)c1ccsc1 ZINC000879650868 635828511 /nfs/dbraw/zinc/82/85/11/635828511.db2.gz UPQNTYPLMTYZHY-IINYFYTJSA-N 0 0 291.372 3.019 20 10 CGCDRN COc1cccc(CNC(=O)C[C@@H](C)CC(C)C)c1O ZINC000105650016 635976515 /nfs/dbraw/zinc/97/65/15/635976515.db2.gz IWPKDOZRSNIKBW-LBPRGKRZSA-N 0 0 279.380 3.089 20 10 CGCDRN C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000844921807 635984269 /nfs/dbraw/zinc/98/42/69/635984269.db2.gz UZIWUFORLOJYEN-SMDDNHRTSA-N 0 0 286.350 3.219 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C2(CCC2)CO1 ZINC000846067059 636140570 /nfs/dbraw/zinc/14/05/70/636140570.db2.gz MEDIROPFABEUOD-LLVKDONJSA-N 0 0 281.783 3.189 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C(\C)COC ZINC000846092769 636142551 /nfs/dbraw/zinc/14/25/51/636142551.db2.gz AGVCBGZZZMQLJJ-SDNWHVSQSA-N 0 0 291.391 3.114 20 10 CGCDRN CC(C)C(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472776 636187054 /nfs/dbraw/zinc/18/70/54/636187054.db2.gz FHUJPUOTIKZYMH-UHFFFAOYSA-N 0 0 269.772 3.344 20 10 CGCDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1cc(Cl)ccc1O ZINC000846476147 636189112 /nfs/dbraw/zinc/18/91/12/636189112.db2.gz JNVIWEMXXINMED-OUJBWJOFSA-N 0 0 279.767 3.098 20 10 CGCDRN CN(C)c1ccc(CNc2cc(C3CC3)ncn2)cc1F ZINC000881866647 636209647 /nfs/dbraw/zinc/20/96/47/636209647.db2.gz RWLCGVHOIUWPON-UHFFFAOYSA-N 0 0 286.354 3.171 20 10 CGCDRN CCC(C)(C)c1nnc(NCc2ccccc2O)o1 ZINC000881872864 636209728 /nfs/dbraw/zinc/20/97/28/636209728.db2.gz QFDLGFSIYKAMSN-UHFFFAOYSA-N 0 0 261.325 3.075 20 10 CGCDRN Cc1nn(C)cc1CN(C)c1ccc(-c2nccs2)cc1 ZINC000846990655 636301309 /nfs/dbraw/zinc/30/13/09/636301309.db2.gz AZFMKNHXLSMUGH-UHFFFAOYSA-N 0 0 298.415 3.488 20 10 CGCDRN CCCN(C(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000847318672 636379996 /nfs/dbraw/zinc/37/99/96/636379996.db2.gz MNNQUDIUPVDJHP-UHFFFAOYSA-N 0 0 291.439 3.391 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000883048251 636520830 /nfs/dbraw/zinc/52/08/30/636520830.db2.gz KVBFVKXKXDTZMQ-UHFFFAOYSA-N 0 0 296.342 3.294 20 10 CGCDRN Cc1ncc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883193784 636577079 /nfs/dbraw/zinc/57/70/79/636577079.db2.gz FQCGIMBTONJTTQ-ZETCQYMHSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000848564540 636608826 /nfs/dbraw/zinc/60/88/26/636608826.db2.gz HGSOCHDNARWGBU-WDEREUQCSA-N 0 0 292.329 3.347 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])CC(F)F ZINC000883251656 636622650 /nfs/dbraw/zinc/62/26/50/636622650.db2.gz XFPUPMUYJDMICU-UHFFFAOYSA-N 0 0 279.277 3.441 20 10 CGCDRN CCc1cccc(CNc2ccn(CC(F)F)n2)c1O ZINC000848897472 636679725 /nfs/dbraw/zinc/67/97/25/636679725.db2.gz JLRPZXZQDFYBKQ-UHFFFAOYSA-N 0 0 281.306 3.028 20 10 CGCDRN CC(C)OCc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000849180277 636766219 /nfs/dbraw/zinc/76/62/19/636766219.db2.gz CDMVOVQLRSPKPF-UHFFFAOYSA-N 0 0 265.334 3.146 20 10 CGCDRN CCOc1ccc(/C=C2/SC(=S)N(C)C2=O)c(C)c1 ZINC000849173280 636766704 /nfs/dbraw/zinc/76/67/04/636766704.db2.gz FURYMGQRQVUFQF-XYOKQWHBSA-N 0 0 293.413 3.225 20 10 CGCDRN CC[C@H]1CCC[C@]1(C)C(=O)NCCc1ccc(N)cc1 ZINC000884028657 636917709 /nfs/dbraw/zinc/91/77/09/636917709.db2.gz NMGQNLIWCUNOSY-YOEHRIQHSA-N 0 0 274.408 3.144 20 10 CGCDRN Cc1cnc(CCSc2ncc(Cl)s2)cn1 ZINC000850000044 636924993 /nfs/dbraw/zinc/92/49/93/636924993.db2.gz HOUBQBJNMBGRIP-UHFFFAOYSA-N 0 0 271.798 3.230 20 10 CGCDRN Cc1nnc(CSc2ncc(Cl)s2)s1 ZINC000849999861 636925113 /nfs/dbraw/zinc/92/51/13/636925113.db2.gz AMFDFVXWVGUARR-UHFFFAOYSA-N 0 0 263.800 3.249 20 10 CGCDRN Cc1cncc(CCSc2ncc(Cl)s2)n1 ZINC000850001060 636925125 /nfs/dbraw/zinc/92/51/25/636925125.db2.gz AHARCZBNZRWHRL-UHFFFAOYSA-N 0 0 271.798 3.230 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(Cl)s1 ZINC000133782945 636976836 /nfs/dbraw/zinc/97/68/36/636976836.db2.gz HSMRVNGYELISEY-UHFFFAOYSA-N 0 0 267.737 3.037 20 10 CGCDRN Oc1ccccc1C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000850374730 637036921 /nfs/dbraw/zinc/03/69/21/637036921.db2.gz OWSFZGQQKDANFT-KOMQPUFPSA-N 0 0 269.344 3.092 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1(F)F ZINC000850379096 637039721 /nfs/dbraw/zinc/03/97/21/637039721.db2.gz DXPMLPMVDIPVAA-NSHDSACASA-N 0 0 279.689 3.320 20 10 CGCDRN COc1cccc(O)c1CNc1ccc2c(c1)CCOC2 ZINC000850382312 637040536 /nfs/dbraw/zinc/04/05/36/637040536.db2.gz QYRINGIVVWOZJZ-UHFFFAOYSA-N 0 0 285.343 3.086 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850393253 637045233 /nfs/dbraw/zinc/04/52/33/637045233.db2.gz QMWWJMLKSQSPLH-PJXYFTJBSA-N 0 0 296.208 3.351 20 10 CGCDRN C[C@H]([NH2+]CCCF)c1cc(Br)c(F)cc1[O-] ZINC000134936017 637053297 /nfs/dbraw/zinc/05/32/97/637053297.db2.gz WEYHPKWPKNJCQB-ZETCQYMHSA-N 0 0 294.139 3.304 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(Cl)cc1[O-] ZINC000850546584 637116740 /nfs/dbraw/zinc/11/67/40/637116740.db2.gz MWRNYQKVERNWRZ-ZYHUDNBSSA-N 0 0 283.799 3.105 20 10 CGCDRN C[C@H](NCc1ncccn1)c1ccc(N2CCCCC2)cc1 ZINC000850552643 637118755 /nfs/dbraw/zinc/11/87/55/637118755.db2.gz PCUHLGZYORFKMJ-HNNXBMFYSA-N 0 0 296.418 3.318 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571875 637129882 /nfs/dbraw/zinc/12/98/82/637129882.db2.gz DGTIKSVVNLAJED-ZWNOBZJWSA-N 0 0 277.343 3.067 20 10 CGCDRN Cc1sc(NC(=O)Cc2ccc(N)cc2)nc1C(C)C ZINC000851640607 637463906 /nfs/dbraw/zinc/46/39/06/637463906.db2.gz ZHMBDHQVDXVBOE-UHFFFAOYSA-N 0 0 289.404 3.338 20 10 CGCDRN CCN(Cc1conc1C)c1ccc(OC)c(OC)c1 ZINC000851827948 637514811 /nfs/dbraw/zinc/51/48/11/637514811.db2.gz KGXRDDQIORPKCU-UHFFFAOYSA-N 0 0 276.336 3.027 20 10 CGCDRN COc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886491793 637540526 /nfs/dbraw/zinc/54/05/26/637540526.db2.gz RZZGSWAZVYFZQN-LLVKDONJSA-N 0 0 275.323 3.391 20 10 CGCDRN C[C@@H]([NH2+]CCCNc1ccccn1)c1c([O-])cccc1F ZINC000886536940 637562124 /nfs/dbraw/zinc/56/21/24/637562124.db2.gz QUCGOYBVJQMQHT-GFCCVEGCSA-N 0 0 289.354 3.079 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCOC(F)F)cc1 ZINC000851985146 637563323 /nfs/dbraw/zinc/56/33/23/637563323.db2.gz JVDDSSYYAYTBEZ-UHFFFAOYSA-N 0 0 259.296 3.149 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886550241 637576219 /nfs/dbraw/zinc/57/62/19/637576219.db2.gz VNQMIECCQIWKAA-NSHDSACASA-N 0 0 299.411 3.094 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1c([O-])cccc1F ZINC000886591730 637596843 /nfs/dbraw/zinc/59/68/43/637596843.db2.gz AFFNJZACOWTNDD-NVBFEUDRSA-N 0 0 279.355 3.140 20 10 CGCDRN CO[C@@H](CC[NH2+][C@H](C)c1c([O-])cccc1F)C(F)(F)F ZINC000886596983 637598773 /nfs/dbraw/zinc/59/87/73/637598773.db2.gz STEAKZBNJVAYHV-KCJUWKMLSA-N 0 0 295.276 3.149 20 10 CGCDRN Cc1cc(C)c(C[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886622191 637612956 /nfs/dbraw/zinc/61/29/56/637612956.db2.gz MMOAXVPDOZPFPQ-GFCCVEGCSA-N 0 0 274.339 3.394 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886623942 637615025 /nfs/dbraw/zinc/61/50/25/637615025.db2.gz UCUXSHOBUNDSMM-UTUOFQBUSA-N 0 0 267.344 3.138 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1c([O-])cccc1F ZINC000886646922 637626824 /nfs/dbraw/zinc/62/68/24/637626824.db2.gz XPAHQLPGEMAUSH-ZXFLCMHBSA-N 0 0 263.234 3.133 20 10 CGCDRN CC(=O)c1cc(F)cc(CN[C@H](C)c2cscn2)c1O ZINC000852417320 637649650 /nfs/dbraw/zinc/64/96/50/637649650.db2.gz KJIMXLPLGUBBOB-MRVPVSSYSA-N 0 0 294.351 3.041 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2=CCCC2)cc1 ZINC000852635866 637688126 /nfs/dbraw/zinc/68/81/26/637688126.db2.gz XBLRCZOJJUJWNX-UHFFFAOYSA-N 0 0 287.407 3.004 20 10 CGCDRN CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(C)cc1O ZINC000886801882 637697783 /nfs/dbraw/zinc/69/77/83/637697783.db2.gz UQASAVSPNNSRHW-YPMHNXCESA-N 0 0 291.313 3.055 20 10 CGCDRN Cc1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000853208108 637781067 /nfs/dbraw/zinc/78/10/67/637781067.db2.gz BDBZJHSBPGSCEY-UHFFFAOYSA-N 0 0 282.391 3.020 20 10 CGCDRN Fc1cnc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000853235430 637789159 /nfs/dbraw/zinc/78/91/59/637789159.db2.gz PEHRSQUQTUXFBU-UHFFFAOYSA-N 0 0 286.354 3.218 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccc(C)nn2)cc1F ZINC000853303581 637805380 /nfs/dbraw/zinc/80/53/80/637805380.db2.gz PHNOEVFOQBKFHV-UHFFFAOYSA-N 0 0 288.370 3.382 20 10 CGCDRN CC(C)n1ncnc1COc1ccc(N2CCCC2)cc1 ZINC000853674469 637889361 /nfs/dbraw/zinc/88/93/61/637889361.db2.gz AOEYNIMFBDXWTG-UHFFFAOYSA-N 0 0 286.379 3.038 20 10 CGCDRN FC1(F)C[C@@H]1OCCOc1ccc(N2CCCC2)cc1 ZINC000853675734 637889723 /nfs/dbraw/zinc/88/97/23/637889723.db2.gz YITJXYYCCJGRQB-AWEZNQCLSA-N 0 0 283.318 3.090 20 10 CGCDRN CN(C)c1ccc(OCCCCC2(C)OCCO2)cc1 ZINC000853692877 637894218 /nfs/dbraw/zinc/89/42/18/637894218.db2.gz LGQAFPVPLYIWNC-UHFFFAOYSA-N 0 0 279.380 3.065 20 10 CGCDRN CCCC[C@](C)(F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000854271634 638036242 /nfs/dbraw/zinc/03/62/42/638036242.db2.gz NXYJYPZXDDIMCB-INIZCTEOSA-N 0 0 280.387 3.287 20 10 CGCDRN Cc1cc(CC(=O)N2CC3(CC3)C2)c(C)n1-c1ccccc1 ZINC000854685006 638086821 /nfs/dbraw/zinc/08/68/21/638086821.db2.gz AWWCRVJWFLDVNU-UHFFFAOYSA-N 0 0 294.398 3.259 20 10 CGCDRN C[C@H](Cc1ccco1)C(=O)NCc1cc(Cl)ccc1O ZINC000855023190 638134724 /nfs/dbraw/zinc/13/47/24/638134724.db2.gz UNYYEUCPRMWUCG-SNVBAGLBSA-N 0 0 293.750 3.134 20 10 CGCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(C)cc1C ZINC000930322613 638276868 /nfs/dbraw/zinc/27/68/68/638276868.db2.gz BVOXDJQBDLQOBU-CLFYSBASSA-N 0 0 283.375 3.103 20 10 CGCDRN CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C)c(O)c1O ZINC000856273878 638333045 /nfs/dbraw/zinc/33/30/45/638333045.db2.gz RUFINNJMZUDLMR-NWDGAFQWSA-N 0 0 277.364 3.199 20 10 CGCDRN CCN(Cc1ccnc(C)c1)c1ccc(OC)c(OC)c1 ZINC000856728781 638376449 /nfs/dbraw/zinc/37/64/49/638376449.db2.gz HLCYJKCKWWRWKL-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCc2ccccc21 ZINC000115710014 638596558 /nfs/dbraw/zinc/59/65/58/638596558.db2.gz CFYGWJUOMSKZBY-OAHLLOKOSA-N 0 0 295.382 3.471 20 10 CGCDRN Cc1csc(CNCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858092593 638625683 /nfs/dbraw/zinc/62/56/83/638625683.db2.gz GQFUONQSJUSNPR-UHFFFAOYSA-N 0 0 297.374 3.086 20 10 CGCDRN CCCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000858120062 638636799 /nfs/dbraw/zinc/63/67/99/638636799.db2.gz XHXZPSSUTOMCAC-UHFFFAOYSA-N 0 0 284.359 3.046 20 10 CGCDRN CCOCc1cc(CNCC(F)(F)CC)ccc1OC ZINC000858258514 638666196 /nfs/dbraw/zinc/66/61/96/638666196.db2.gz CQONRXSBRHGRGI-UHFFFAOYSA-N 0 0 287.350 3.367 20 10 CGCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1cc(C)ccc1O ZINC000858293306 638674328 /nfs/dbraw/zinc/67/43/28/638674328.db2.gz LKNNBMVVAZUTFF-TZMCWYRMSA-N 0 0 276.380 3.079 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000858445368 638721662 /nfs/dbraw/zinc/72/16/62/638721662.db2.gz HKNCMJXBGHOZHZ-MNOVXSKESA-N 0 0 285.334 3.138 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)CCC(C)C)c1ccc(F)cc1[O-] ZINC000858485962 638737767 /nfs/dbraw/zinc/73/77/67/638737767.db2.gz QWDKLCVGNYBMBS-DZGCQCFKSA-N 0 0 283.387 3.369 20 10 CGCDRN C[C@@H](Nc1cnn(CCF)c1)c1cc(Cl)ccc1O ZINC000858491599 638740789 /nfs/dbraw/zinc/74/07/89/638740789.db2.gz LGLKHAUUCSGHDY-SECBINFHSA-N 0 0 283.734 3.385 20 10 CGCDRN COc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000074333799 638744111 /nfs/dbraw/zinc/74/41/11/638744111.db2.gz ACRCULACSFWZGI-UHFFFAOYSA-N 0 0 298.386 3.144 20 10 CGCDRN Cc1cnc(C[NH2+][C@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000926954806 638828923 /nfs/dbraw/zinc/82/89/23/638828923.db2.gz VXZUIXFBHMAVQX-GFCCVEGCSA-N 0 0 274.339 3.394 20 10 CGCDRN CC(C)(CC(F)(F)F)C(=O)NCc1c(O)cccc1F ZINC000928712960 638889783 /nfs/dbraw/zinc/88/97/83/638889783.db2.gz YRLQHWZMADEXJK-UHFFFAOYSA-N 0 0 293.260 3.126 20 10 CGCDRN CCN(Cc1cc(C)nnc1C)c1ccc(OC)cc1 ZINC000929904905 638960407 /nfs/dbraw/zinc/96/04/07/638960407.db2.gz RATUCUKERPKOOA-UHFFFAOYSA-N 0 0 271.364 3.129 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccns1 ZINC000858578391 638997912 /nfs/dbraw/zinc/99/79/12/638997912.db2.gz VBPXGIAIKBLJGS-RKDXNWHRSA-N 0 0 293.348 3.169 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccns1 ZINC000858578387 638997997 /nfs/dbraw/zinc/99/79/97/638997997.db2.gz VBPXGIAIKBLJGS-DTWKUNHWSA-N 0 0 293.348 3.169 20 10 CGCDRN CCOC(=O)c1cnc(SCc2ccccn2)s1 ZINC000858677300 639010754 /nfs/dbraw/zinc/01/07/54/639010754.db2.gz GAWPYAFXIJQDNQ-UHFFFAOYSA-N 0 0 280.374 3.007 20 10 CGCDRN CCc1cnc(NC(=O)NCc2cc(C)ccc2O)s1 ZINC000860701720 639406177 /nfs/dbraw/zinc/40/61/77/639406177.db2.gz GVGNKFUWJPZQQW-UHFFFAOYSA-N 0 0 291.376 3.041 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(Cc3ccccc3)CC2)c1 ZINC000187491665 639601895 /nfs/dbraw/zinc/60/18/95/639601895.db2.gz JVJMTCFXDUYREF-UHFFFAOYSA-N 0 0 298.342 3.165 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC12CCCC2 ZINC000862026878 639635294 /nfs/dbraw/zinc/63/52/94/639635294.db2.gz BINXAQOHAMWUOH-AWEZNQCLSA-N 0 0 296.370 3.137 20 10 CGCDRN CC(C(=O)NCc1ccc2cccnc2c1O)=C1CCCC1 ZINC000862027449 639635861 /nfs/dbraw/zinc/63/58/61/639635861.db2.gz SMFRPTHGDLTDLA-UHFFFAOYSA-N 0 0 296.370 3.447 20 10 CGCDRN CC1(c2ccccc2C(=O)NCc2ccccc2O)CC1 ZINC000934935170 639719600 /nfs/dbraw/zinc/71/96/00/639719600.db2.gz FKKCELCFFPDRFM-UHFFFAOYSA-N 0 0 281.355 3.374 20 10 CGCDRN CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)CC1 ZINC000156049122 639962027 /nfs/dbraw/zinc/96/20/27/639962027.db2.gz GQEZHVQNDLSDNH-CYBMUJFWSA-N 0 0 263.381 3.413 20 10 CGCDRN CC(C)[C@H](Sc1nccs1)C(=O)NC1CCCC1 ZINC000048876008 640074513 /nfs/dbraw/zinc/07/45/13/640074513.db2.gz DVQSCCFOCHHRQV-NSHDSACASA-N 0 0 284.450 3.319 20 10 CGCDRN C[C@@H](C1CC1)n1cc(NCc2cc(F)ccc2O)cn1 ZINC000189751369 640206656 /nfs/dbraw/zinc/20/66/56/640206656.db2.gz USECCLNMPNXCPA-JTQLQIEISA-N 0 0 275.327 3.311 20 10 CGCDRN CCC(C)(C)CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000190679472 640260674 /nfs/dbraw/zinc/26/06/74/640260674.db2.gz AJIZWVOIAXFICC-LLVKDONJSA-N 0 0 294.395 3.197 20 10 CGCDRN CC[C@@H](NCc1ccc2c(c1)CCO2)c1nccs1 ZINC000078004078 640276870 /nfs/dbraw/zinc/27/68/70/640276870.db2.gz DMFVGSHZSHMTKO-CYBMUJFWSA-N 0 0 274.389 3.319 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000191681697 640326992 /nfs/dbraw/zinc/32/69/92/640326992.db2.gz ZDIKFHSOEPVRTO-UHFFFAOYSA-N 0 0 298.342 3.468 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C2CC2)cc1 ZINC000079890213 640435381 /nfs/dbraw/zinc/43/53/81/640435381.db2.gz CVXPSXWGEDPKOK-ZDUSSCGKSA-N 0 0 289.423 3.131 20 10 CGCDRN CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1O ZINC000193165609 640437858 /nfs/dbraw/zinc/43/78/58/640437858.db2.gz BDVGEANFMUKTKV-AWEZNQCLSA-N 0 0 297.354 3.075 20 10 CGCDRN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000091859987 640724206 /nfs/dbraw/zinc/72/42/06/640724206.db2.gz AQBPSBYJGNQYFP-VHSXEESVSA-N 0 0 284.197 3.385 20 10 CGCDRN CCOCC[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000092885224 640749307 /nfs/dbraw/zinc/74/93/07/640749307.db2.gz SHCPEJNIWNTZOE-UHFFFAOYSA-N 0 0 289.375 3.022 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ccccn2)c1C ZINC000013838556 640971435 /nfs/dbraw/zinc/97/14/35/640971435.db2.gz NATVPOCMKSJINP-UHFFFAOYSA-N 0 0 271.389 3.185 20 10 CGCDRN Cc1ccc(F)c2nc(-c3ccc(O)c(O)c3)[nH]c21 ZINC001250464673 805632187 /nfs/dbraw/zinc/63/21/87/805632187.db2.gz IPKSZDVWGFINQE-UHFFFAOYSA-N 0 0 258.252 3.089 20 10 CGCDRN Oc1cc(-c2nc3cc(C(F)F)ccc3[nH]2)cc(O)c1O ZINC001251248297 805871192 /nfs/dbraw/zinc/87/11/92/805871192.db2.gz JWKGMSJREKEPMN-UHFFFAOYSA-N 0 0 292.241 3.284 20 10 CGCDRN Cc1ccc(Cl)c2nc(-c3cc(O)c(O)c(O)c3)[nH]c21 ZINC001251248493 805871326 /nfs/dbraw/zinc/87/13/26/805871326.db2.gz USKQTEVRQOAJGI-UHFFFAOYSA-N 0 0 290.706 3.309 20 10 CGCDRN CC(C)c1ccc2[nH]c(-c3cc(O)c(O)c(O)c3)nc2c1 ZINC001251248476 805872163 /nfs/dbraw/zinc/87/21/63/805872163.db2.gz STXQXVWZKOVIFB-UHFFFAOYSA-N 0 0 284.315 3.470 20 10 CGCDRN Cc1nc(NCc2ccc(O)c(O)c2)ccc1Cl ZINC001158995877 806028407 /nfs/dbraw/zinc/02/84/07/806028407.db2.gz PHIITADYHUFMOY-UHFFFAOYSA-N 0 0 264.712 3.067 20 10 CGCDRN COC(=O)c1c(C)scc1Nc1ccc(N)cc1 ZINC001159261640 806069361 /nfs/dbraw/zinc/06/93/61/806069361.db2.gz NGASDQYONLDDTN-UHFFFAOYSA-N 0 0 262.334 3.169 20 10 CGCDRN CCOC(=O)c1c(Nc2ccc(N)cc2)ccn1CC ZINC001159313703 806080301 /nfs/dbraw/zinc/08/03/01/806080301.db2.gz FJRAMXQBSOZSGJ-UHFFFAOYSA-N 0 0 273.336 3.011 20 10 CGCDRN COC(=O)c1ccc(Nc2ccc(N)cc2)cc1Cl ZINC001159449303 806104056 /nfs/dbraw/zinc/10/40/56/806104056.db2.gz HMKNZCSPVPNORD-UHFFFAOYSA-N 0 0 276.723 3.452 20 10 CGCDRN COc1cc(Nc2ccc3c(c2)CCN3)c(Cl)cn1 ZINC001159522904 806116781 /nfs/dbraw/zinc/11/67/81/806116781.db2.gz PBBBQKKXMAGVHR-UHFFFAOYSA-N 0 0 275.739 3.455 20 10 CGCDRN Nc1ccc(-n2ccc3c2cc(Cl)cc3N)cc1 ZINC001159754843 806165284 /nfs/dbraw/zinc/16/52/84/806165284.db2.gz CMCACTZZAVHIOV-UHFFFAOYSA-N 0 0 257.724 3.448 20 10 CGCDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1cc[nH]n1 ZINC001160006407 806213277 /nfs/dbraw/zinc/21/32/77/806213277.db2.gz WHNRLQCJIVERAX-UHFFFAOYSA-N 0 0 298.733 3.433 20 10 CGCDRN Cc1cccc(CNc2ncc3ccccc3n2)c1O ZINC001160765144 806300144 /nfs/dbraw/zinc/30/01/44/806300144.db2.gz UQPUYKUGLAONEL-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN Cc1cc(C)c(CNc2cc(C)c(F)cn2)c(O)c1 ZINC001160808413 806306491 /nfs/dbraw/zinc/30/64/91/806306491.db2.gz RPMBIYJLZRTQCQ-UHFFFAOYSA-N 0 0 260.312 3.464 20 10 CGCDRN Nc1ccc(CCn2cc(C3=CCCCC3)nn2)cc1 ZINC001254081087 806339648 /nfs/dbraw/zinc/33/96/48/806339648.db2.gz KNZSBVIEYWFZIR-UHFFFAOYSA-N 0 0 268.364 3.060 20 10 CGCDRN Cc1cncnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001162025760 806499913 /nfs/dbraw/zinc/49/99/13/806499913.db2.gz AXSAEIPWIPKXNL-UHFFFAOYSA-N 0 0 296.418 3.412 20 10 CGCDRN Cc1c[nH]c2nc(Cl)nc(NCc3ccc(N)cc3)c12 ZINC001162783937 806664982 /nfs/dbraw/zinc/66/49/82/806664982.db2.gz CUWIQECBZHGKCV-UHFFFAOYSA-N 0 0 287.754 3.114 20 10 CGCDRN Nc1ccc(CNc2ncnc3[nH]c4ccccc4c32)cc1 ZINC001162785857 806665720 /nfs/dbraw/zinc/66/57/20/806665720.db2.gz MIIXZARTVZEUHN-UHFFFAOYSA-N 0 0 289.342 3.305 20 10 CGCDRN CC(C)Sc1ccc(NCc2ccc(N)cc2)nn1 ZINC001162787427 806666295 /nfs/dbraw/zinc/66/62/95/806666295.db2.gz KPANYJSHNAEJEN-UHFFFAOYSA-N 0 0 274.393 3.171 20 10 CGCDRN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC000244260352 799147440 /nfs/dbraw/zinc/14/74/40/799147440.db2.gz WMFOXPPZPOQQCV-UHFFFAOYSA-N 0 0 291.734 3.241 20 10 CGCDRN CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000381430239 799379597 /nfs/dbraw/zinc/37/95/97/799379597.db2.gz BFTQXQZEUSEWCD-GHMZBOCLSA-N 0 0 257.786 3.029 20 10 CGCDRN CCOC(=O)c1csc(CSc2nccs2)n1 ZINC000383028811 799399571 /nfs/dbraw/zinc/39/95/71/799399571.db2.gz AINWJRFONXDZPT-UHFFFAOYSA-N 0 0 286.403 3.069 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCSC1 ZINC000384163013 799412623 /nfs/dbraw/zinc/41/26/23/799412623.db2.gz RZRTVYBYRAEDQU-SNVBAGLBSA-N 0 0 271.813 3.278 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(-n3cccn3)c2)c1 ZINC000393400129 799486145 /nfs/dbraw/zinc/48/61/45/799486145.db2.gz XHRQSUFRBUWPHN-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN CC(C)[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000398497817 799531837 /nfs/dbraw/zinc/53/18/37/799531837.db2.gz IRSMKYOUAMDBRU-CYBMUJFWSA-N 0 0 292.206 3.196 20 10 CGCDRN CC1(C)CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407761 799689907 /nfs/dbraw/zinc/68/99/07/799689907.db2.gz OOACAQTWEQDMNG-VIHMKRCTSA-N 0 0 289.375 3.196 20 10 CGCDRN C/C(=C/C(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000588496158 799702224 /nfs/dbraw/zinc/70/22/24/799702224.db2.gz WQJADUZFPYKVQS-QBFSEMIESA-N 0 0 274.408 3.361 20 10 CGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CS1 ZINC000689643346 799767017 /nfs/dbraw/zinc/76/70/17/799767017.db2.gz SKCWRXXIGFODGQ-KOLCDFICSA-N 0 0 271.813 3.419 20 10 CGCDRN CCc1cccc(CNc2ccc(CCO)cc2)c1O ZINC000691501340 799785372 /nfs/dbraw/zinc/78/53/72/799785372.db2.gz VWYAFCXWVSCCSZ-UHFFFAOYSA-N 0 0 271.360 3.102 20 10 CGCDRN C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000694009348 799818990 /nfs/dbraw/zinc/81/89/90/799818990.db2.gz ZHUHAIGKOSOHEY-RYUDHWBXSA-N 0 0 274.339 3.208 20 10 CGCDRN CN(C)c1ccc(C2=CCC3(CC2)OCCO3)cc1 ZINC000700745072 799878421 /nfs/dbraw/zinc/87/84/21/799878421.db2.gz IXANSUWXJFQYII-UHFFFAOYSA-N 0 0 259.349 3.063 20 10 CGCDRN CCC[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000708466044 799989461 /nfs/dbraw/zinc/98/94/61/799989461.db2.gz DMFCKZNQGWRVIO-GFCCVEGCSA-N 0 0 261.369 3.313 20 10 CGCDRN C[C@H](CCc1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708480404 799990018 /nfs/dbraw/zinc/99/00/18/799990018.db2.gz HXGZDSKAISPALK-SNVBAGLBSA-N 0 0 281.302 3.374 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000708485253 799990065 /nfs/dbraw/zinc/99/00/65/799990065.db2.gz MBCGUGQTSBVMMX-UHFFFAOYSA-N 0 0 267.250 3.099 20 10 CGCDRN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CC(C)(C)C1 ZINC000709391728 800008187 /nfs/dbraw/zinc/00/81/87/800008187.db2.gz IHRNXBHSTNNPGD-QWRGUYRKSA-N 0 0 277.364 3.042 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(F)cc1[O-] ZINC000711470740 800061715 /nfs/dbraw/zinc/06/17/15/800061715.db2.gz DFLHBLRVBBKJLJ-AAEUAGOBSA-N 0 0 279.355 3.284 20 10 CGCDRN [O-]c1c(C[NH2+]CC[C@@H]2CCCS2)ccc(F)c1F ZINC000715641982 800142788 /nfs/dbraw/zinc/14/27/88/800142788.db2.gz HQXZTBGOMMBVRS-JTQLQIEISA-N 0 0 273.348 3.046 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC000715719698 800144312 /nfs/dbraw/zinc/14/43/12/800144312.db2.gz UGQYVCPPVFZVGW-SSDOTTSWSA-N 0 0 288.160 3.182 20 10 CGCDRN CCC1([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715813061 800147273 /nfs/dbraw/zinc/14/72/73/800147273.db2.gz LDVQDJSRHPWVGI-UHFFFAOYSA-N 0 0 288.160 3.326 20 10 CGCDRN CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716942558 800186500 /nfs/dbraw/zinc/18/65/00/800186500.db2.gz JOKREWMCRKNXCI-KWQFWETISA-N 0 0 292.206 3.338 20 10 CGCDRN Oc1ccc(Cl)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719542030 800242352 /nfs/dbraw/zinc/24/23/52/800242352.db2.gz XMJCUEDYTMEBOH-UHFFFAOYSA-N 0 0 294.807 3.281 20 10 CGCDRN CNc1ccccc1NCCc1nc(-c2ccccc2)no1 ZINC001164106700 806891081 /nfs/dbraw/zinc/89/10/81/806891081.db2.gz UUKRXQGUTLATBG-UHFFFAOYSA-N 0 0 294.358 3.433 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)n1cccc1 ZINC001116348248 802333886 /nfs/dbraw/zinc/33/38/86/802333886.db2.gz SLKAWWRGFAIZSN-HNNXBMFYSA-N 0 0 299.418 3.164 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC001118099216 802526259 /nfs/dbraw/zinc/52/62/59/802526259.db2.gz LXFKVYCJSZREGD-QEJZJMRPSA-N 0 0 292.398 3.458 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC001118177422 802534586 /nfs/dbraw/zinc/53/45/86/802534586.db2.gz RAOBCASOJQOZBC-CYZMBNFOSA-N 0 0 295.354 3.110 20 10 CGCDRN Cc1n[nH]cc1Nc1ccccc1C(=O)c1ccncc1 ZINC001174476200 809031169 /nfs/dbraw/zinc/03/11/69/809031169.db2.gz XOGNFCOTYDLMQL-UHFFFAOYSA-N 0 0 278.315 3.088 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001118516262 802578952 /nfs/dbraw/zinc/57/89/52/802578952.db2.gz BDXPVBDZYYOXDC-WDEREUQCSA-N 0 0 265.378 3.106 20 10 CGCDRN CN(C)c1cc(F)c(CN(C)CCC(F)(F)F)cc1F ZINC001118938701 802620001 /nfs/dbraw/zinc/62/00/01/802620001.db2.gz MDVHXIWFZWSWKR-UHFFFAOYSA-N 0 0 296.283 3.415 20 10 CGCDRN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508261 802674054 /nfs/dbraw/zinc/67/40/54/802674054.db2.gz YKCDYDKNKBLYKE-VXGBXAGGSA-N 0 0 287.375 3.386 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@]1(F)Cl ZINC001181667659 810065197 /nfs/dbraw/zinc/06/51/97/810065197.db2.gz YAIAPRXWVJMNJV-DZGCQCFKSA-N 0 0 298.789 3.026 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccoc1 ZINC001124549095 803028352 /nfs/dbraw/zinc/02/83/52/803028352.db2.gz BYESBZQAURFDLW-UHFFFAOYSA-N 0 0 298.386 3.081 20 10 CGCDRN Fc1cc(N2CCCC2)ccc1-c1ccnc2c1CCN2 ZINC001244271654 803272116 /nfs/dbraw/zinc/27/21/16/803272116.db2.gz WEROOOIKAVSEPL-UHFFFAOYSA-N 0 0 283.350 3.099 20 10 CGCDRN Cc1cc(-c2ccn(CC3CC3)c(=O)c2)cnc1OC(C)C ZINC001244687906 803495954 /nfs/dbraw/zinc/49/59/54/803495954.db2.gz HAXFOOJOEQIJCB-UHFFFAOYSA-N 0 0 298.386 3.416 20 10 CGCDRN CCCNC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC001244899412 803568227 /nfs/dbraw/zinc/56/82/27/803568227.db2.gz TWXYHIPXGZNHAX-UHFFFAOYSA-N 0 0 291.464 3.051 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC001135566345 803604848 /nfs/dbraw/zinc/60/48/48/803604848.db2.gz XCAUEOMDSBYKEL-UHFFFAOYSA-N 0 0 286.266 3.240 20 10 CGCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC001136622209 803648632 /nfs/dbraw/zinc/64/86/32/803648632.db2.gz AYEQZOBSZMALOZ-TZMCWYRMSA-N 0 0 291.391 3.495 20 10 CGCDRN Cn1ccc(-c2ccc(-c3cnc4ccn(C)c4c3)cn2)n1 ZINC001245204906 803663349 /nfs/dbraw/zinc/66/33/49/803663349.db2.gz KCQGUUHJMGBPOC-UHFFFAOYSA-N 0 0 289.342 3.036 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001137837817 803780464 /nfs/dbraw/zinc/78/04/64/803780464.db2.gz VRRDEUASQJCJSB-OAHLLOKOSA-N 0 0 272.323 3.263 20 10 CGCDRN [O-]c1cccc(F)c1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001137833087 803780533 /nfs/dbraw/zinc/78/05/33/803780533.db2.gz RZUKOJAUSWCBGY-UHFFFAOYSA-N 0 0 267.319 3.245 20 10 CGCDRN CC(C)COc1ncc(-c2ccn(C)c(=O)c2)cc1Cl ZINC001245532734 803792020 /nfs/dbraw/zinc/79/20/20/803792020.db2.gz GBAGQHVIDBBAIT-UHFFFAOYSA-N 0 0 292.766 3.136 20 10 CGCDRN COc1cc(OC)c(-c2cccc3c2ccn3C)cn1 ZINC001245614029 803854891 /nfs/dbraw/zinc/85/48/91/803854891.db2.gz XLUXPUIGIAUACT-UHFFFAOYSA-N 0 0 268.316 3.258 20 10 CGCDRN [O-]c1c(F)cccc1C[N@H+](Cc1ccco1)C1CC1 ZINC001138129476 803863455 /nfs/dbraw/zinc/86/34/55/803863455.db2.gz FTYSYCJFGKPLNM-UHFFFAOYSA-N 0 0 261.296 3.289 20 10 CGCDRN CN1CCCc2cc(CN3CC(F)(C4CC4)C3)ccc21 ZINC001138354428 803900270 /nfs/dbraw/zinc/90/02/70/803900270.db2.gz JNJZCUMXTVLHMT-UHFFFAOYSA-N 0 0 274.383 3.003 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cccc3ccnn32)cc1 ZINC001138807607 804043856 /nfs/dbraw/zinc/04/38/56/804043856.db2.gz QACBBHZOIMNSNC-UHFFFAOYSA-N 0 0 294.402 3.032 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001139683335 804251192 /nfs/dbraw/zinc/25/11/92/804251192.db2.gz LRZGJSUQQQZDIL-HNNXBMFYSA-N 0 0 290.313 3.403 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001139683074 804251633 /nfs/dbraw/zinc/25/16/33/804251633.db2.gz HLQMVMZTTCSLMF-QMMMGPOBSA-N 0 0 277.261 3.148 20 10 CGCDRN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684562 804252157 /nfs/dbraw/zinc/25/21/57/804252157.db2.gz ZHWPGLPEEYSIMQ-CYBMUJFWSA-N 0 0 285.334 3.060 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001139683935 804252409 /nfs/dbraw/zinc/25/24/09/804252409.db2.gz FUBSOHWEHSYTMQ-LLVKDONJSA-N 0 0 295.251 3.240 20 10 CGCDRN [O-]c1c(F)ccc(F)c1CN1CCCCC(F)(F)C1 ZINC001139685709 804252672 /nfs/dbraw/zinc/25/26/72/804252672.db2.gz UDIAFGZFKFTSTN-UHFFFAOYSA-N 0 0 277.261 3.292 20 10 CGCDRN C[C@@H]1c2cccn2CCN1Cc1ccc(Cl)cc1O ZINC001140465872 804443606 /nfs/dbraw/zinc/44/36/06/804443606.db2.gz STRBFJNKFRUYQJ-LLVKDONJSA-N 0 0 276.767 3.424 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC001140583079 804466571 /nfs/dbraw/zinc/46/65/71/804466571.db2.gz VTNJTXOVZKXCGK-UHFFFAOYSA-N 0 0 297.345 3.204 20 10 CGCDRN CN(Cc1ccccc1O)Cc1cc(Cl)ncc1F ZINC001140609234 804474697 /nfs/dbraw/zinc/47/46/97/804474697.db2.gz QCMFRNFMQDTVOM-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN Cc1ccc(CN(C)Cc2cnc(Cl)s2)c(O)c1 ZINC001140947845 804555744 /nfs/dbraw/zinc/55/57/44/804555744.db2.gz IBCZQRMXTJNZGU-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001142508487 804728090 /nfs/dbraw/zinc/72/80/90/804728090.db2.gz ANVSSNAMMVKYDB-UHFFFAOYSA-N 0 0 295.251 3.445 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCc2ccccc2CC1 ZINC001142520398 804730586 /nfs/dbraw/zinc/73/05/86/804730586.db2.gz IBEMABRIDMOVAW-UHFFFAOYSA-N 0 0 289.325 3.271 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CCOC2(CCCCC2)C1 ZINC001142527018 804731279 /nfs/dbraw/zinc/73/12/79/804731279.db2.gz HAWIHHVNWVFVDN-UHFFFAOYSA-N 0 0 297.345 3.206 20 10 CGCDRN Cc1cccc2cc(C(=O)NCc3ccc(O)cc3O)oc21 ZINC001142534078 804733398 /nfs/dbraw/zinc/73/33/98/804733398.db2.gz ZDPAHFCWVYPOTO-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN CC(C)(C)c1cccc(CN2CC3(C2)CCCCO3)c1O ZINC001143103428 804801416 /nfs/dbraw/zinc/80/14/16/804801416.db2.gz CZBFVFXMHPGTEV-UHFFFAOYSA-N 0 0 289.419 3.445 20 10 CGCDRN Cc1ccc2[nH]c(CN(C)Cc3ccccc3O)nc2c1 ZINC001248842853 805017270 /nfs/dbraw/zinc/01/72/70/805017270.db2.gz MXYSEUHAQXDFFC-UHFFFAOYSA-N 0 0 281.359 3.209 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2C[C@H]3C[C@@H](C2)O3)cc1Cl ZINC001248883606 805032470 /nfs/dbraw/zinc/03/24/70/805032470.db2.gz LRRWNJDWEQFBAT-TXEJJXNPSA-N 0 0 295.810 3.316 20 10 CGCDRN Oc1cccc(F)c1Nc1c(Cl)cncc1Cl ZINC001249989875 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COc1ccc(N(C)CCOCCC(C)C)cc1 ZINC001460336963 937527513 /nfs/dbraw/zinc/52/75/13/937527513.db2.gz SYFFNMAGJJBWRE-UHFFFAOYSA-N 0 0 251.370 3.194 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC001474224387 937844781 /nfs/dbraw/zinc/84/47/81/937844781.db2.gz PWKVFAYDHUFTOP-UHFFFAOYSA-N 0 0 269.703 3.376 20 10 CGCDRN CC[N@H+](CCC1CC1)Cc1cc(F)c(F)cc1[O-] ZINC001462058027 937615254 /nfs/dbraw/zinc/61/52/54/937615254.db2.gz YISGIOIGEOIARX-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN Nc1ccc(-n2cc(-c3cccc4cnccc43)nn2)cc1 ZINC001254080756 932723804 /nfs/dbraw/zinc/72/38/04/932723804.db2.gz RYASAPXXHKPOIB-UHFFFAOYSA-N 0 0 287.326 3.065 20 10 CGCDRN Cc1ccc(C(=O)NCc2c(O)cccc2F)cc1C ZINC001303878340 932734951 /nfs/dbraw/zinc/73/49/51/932734951.db2.gz NABISXATUIVGGY-UHFFFAOYSA-N 0 0 273.307 3.078 20 10 CGCDRN Oc1c(Cl)cccc1CNc1ncncc1Cl ZINC001307230534 932780604 /nfs/dbraw/zinc/78/06/04/932780604.db2.gz WFWNSTIXNQMBNT-UHFFFAOYSA-N 0 0 270.119 3.101 20 10 CGCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])C1CC(C)(C)C1 ZINC001462324685 937632644 /nfs/dbraw/zinc/63/26/44/937632644.db2.gz AYBUWNYQXCNNCA-UHFFFAOYSA-N 0 0 255.308 3.291 20 10 CGCDRN COc1cccc(-c2nnc(Sc3nccs3)o2)c1 ZINC001307180008 932925455 /nfs/dbraw/zinc/92/54/55/932925455.db2.gz NVLYRNDWWXBXRF-UHFFFAOYSA-N 0 0 291.357 3.353 20 10 CGCDRN Cn1cnc2cc(NCc3ccc4c[nH]nc4c3)ccc21 ZINC001308313004 933094251 /nfs/dbraw/zinc/09/42/51/933094251.db2.gz DFXOBXODSIJVKR-UHFFFAOYSA-N 0 0 277.331 3.062 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC1CSC1 ZINC001308985573 933223317 /nfs/dbraw/zinc/22/33/17/933223317.db2.gz YJBBSUKZKGCVDS-UHFFFAOYSA-N 0 0 275.776 3.027 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(F)c(C)c2)c1 ZINC001310262405 933253327 /nfs/dbraw/zinc/25/33/27/933253327.db2.gz UGPZUEHGCLJPSF-UHFFFAOYSA-N 0 0 288.322 3.470 20 10 CGCDRN C=Cc1ccccc1NC(=O)NCc1c(O)cccc1F ZINC001467157997 937715592 /nfs/dbraw/zinc/71/55/92/937715592.db2.gz ZLBUCQYYBWRUOG-UHFFFAOYSA-N 0 0 286.306 3.496 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC001320130164 934005689 /nfs/dbraw/zinc/00/56/89/934005689.db2.gz JBLCIHQLBMJSAY-WDEREUQCSA-N 0 0 297.370 3.302 20 10 CGCDRN C/C(=C\c1ccccn1)C(=O)N[C@H](C)c1ccccc1O ZINC001471195414 937762566 /nfs/dbraw/zinc/76/25/66/937762566.db2.gz HRSXGOMKKLFYAM-XZHRJIJLSA-N 0 0 282.343 3.068 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C1CCC(C2CC2)CC1 ZINC001471976050 937771165 /nfs/dbraw/zinc/77/11/65/937771165.db2.gz QAWJRMCEFPURRH-UHFFFAOYSA-N 0 0 291.366 3.364 20 10 CGCDRN O=C(C/C=C/Cc1ccccc1)NCc1c(O)cccc1F ZINC001471975728 937771412 /nfs/dbraw/zinc/77/14/12/937771412.db2.gz FIZPSMQBKQDIIA-SNAWJCMRSA-N 0 0 299.345 3.337 20 10 CGCDRN CC1(C)C(C(=O)NCc2cccc(Cl)c2O)C1(C)C ZINC001472317118 937775009 /nfs/dbraw/zinc/77/50/09/937775009.db2.gz WLAGSXZYCAJLPT-UHFFFAOYSA-N 0 0 281.783 3.344 20 10 CGCDRN CN(C)c1ccc(CN2CCN(C)c3ccccc32)cc1 ZINC001473249268 937799017 /nfs/dbraw/zinc/79/90/17/937799017.db2.gz XTKLSZGWWODUEK-UHFFFAOYSA-N 0 0 281.403 3.209 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCC[C@H]1CCOC1 ZINC001327502846 935064296 /nfs/dbraw/zinc/06/42/96/935064296.db2.gz HFWJGIFECVKUAR-CQSZACIVSA-N 0 0 261.365 3.092 20 10 CGCDRN C(=C/c1cnccn1)\c1ccc(N2CCCC2)cc1 ZINC001327889186 935094782 /nfs/dbraw/zinc/09/47/82/935094782.db2.gz OPSYICNTJZOQEQ-ZZXKWVIFSA-N 0 0 251.333 3.247 20 10 CGCDRN CC1(C)CC[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001328623539 935153134 /nfs/dbraw/zinc/15/31/34/935153134.db2.gz IUUIZRJOYMBMCZ-ZETCQYMHSA-N 0 0 279.727 3.251 20 10 CGCDRN CN(C)c1cc(F)c(C[NH2+][C@H]2CCCSC2)cc1F ZINC001329142724 935189756 /nfs/dbraw/zinc/18/97/56/935189756.db2.gz ZSQPOPJKELVADD-NSHDSACASA-N 0 0 286.391 3.016 20 10 CGCDRN O=C(NC/C=C/C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001334515093 936104426 /nfs/dbraw/zinc/10/44/26/936104426.db2.gz RJBXDBCSJJNJOR-OWOJBTEDSA-N 0 0 289.356 3.009 20 10 CGCDRN Oc1c(F)cc(Cl)cc1CNc1cccnc1 ZINC001474036851 937837173 /nfs/dbraw/zinc/83/71/73/937837173.db2.gz PPLVZGVBYLEWOB-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN Cc1ccc(F)c(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001474150018 937841916 /nfs/dbraw/zinc/84/19/16/937841916.db2.gz XEEGCNVWJVWPSV-UHFFFAOYSA-N 0 0 295.304 3.450 20 10 CGCDRN Fc1cccc2c1CCN2Cc1cccc2c1OCO2 ZINC001474418500 937858617 /nfs/dbraw/zinc/85/86/17/937858617.db2.gz NRBGSNBHMAHHTF-UHFFFAOYSA-N 0 0 271.291 3.117 20 10 CGCDRN CCCCC[C@@H](NCc1cccc(CC)c1O)C(=O)OC ZINC001474450648 937860326 /nfs/dbraw/zinc/86/03/26/937860326.db2.gz UBWUUCDGQAJQRR-OAHLLOKOSA-N 0 0 293.407 3.166 20 10 CGCDRN COc1cc(C)c(CNc2ccc(F)c(OC)c2)c(O)c1 ZINC001474447784 937860540 /nfs/dbraw/zinc/86/05/40/937860540.db2.gz XHMGGXVVLYBECJ-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN COc1cc(C)c(CNc2cccc3c2CCO3)c(O)c1 ZINC001474490622 937862613 /nfs/dbraw/zinc/86/26/13/937862613.db2.gz GODMPTRYMCRCRV-UHFFFAOYSA-N 0 0 285.343 3.256 20 10 CGCDRN C[S@](=O)c1cccc(NCc2ccc(Cl)cc2O)c1 ZINC001474537707 937865903 /nfs/dbraw/zinc/86/59/03/937865903.db2.gz NVKLAPGLLGASQE-IBGZPJMESA-N 0 0 295.791 3.395 20 10 CGCDRN CC(C)C(C)(C)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC001475586083 937884632 /nfs/dbraw/zinc/88/46/32/937884632.db2.gz VQJHYZJJZZKYJN-LBPRGKRZSA-N 0 0 299.436 3.055 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C\c1cn(C)cn1)CC[C@@H]2C ZINC001534103954 938094364 /nfs/dbraw/zinc/09/43/64/938094364.db2.gz FQVOELWESQJLMF-WSROAFLRSA-N 0 0 295.386 3.282 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(F)c(F)c1 ZINC001535125499 938099077 /nfs/dbraw/zinc/09/90/77/938099077.db2.gz IORYVRVBHCUYGZ-VMPITWQZSA-N 0 0 288.297 3.344 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC(C)C)c1 ZINC001538598681 938119404 /nfs/dbraw/zinc/11/94/04/938119404.db2.gz VAMNBLHHVWCWCG-UHFFFAOYSA-N 0 0 298.386 3.292 20 10 CGCDRN CCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001540665483 938132848 /nfs/dbraw/zinc/13/28/48/938132848.db2.gz WPFXRYBVEZZQDJ-HNNXBMFYSA-N 0 0 299.370 3.298 20 10 CGCDRN C=C/C=C\CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001542370916 938135787 /nfs/dbraw/zinc/13/57/87/938135787.db2.gz JSSYFRFANWQHIB-FPLPWBNLSA-N 0 0 272.392 3.233 20 10 CGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1-n1ccnc1 ZINC001542877260 938137395 /nfs/dbraw/zinc/13/73/95/938137395.db2.gz PUZBGEZLLPAVLK-UHFFFAOYSA-N 0 0 299.355 3.200 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccnc3ccccc32)c1 ZINC001557552491 938210651 /nfs/dbraw/zinc/21/06/51/938210651.db2.gz DWBMFOCDLNXQRR-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN CSc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001558455740 938215432 /nfs/dbraw/zinc/21/54/32/938215432.db2.gz PYZKUCOUQPYJBA-UHFFFAOYSA-N 0 0 291.347 3.183 20 10 CGCDRN Cn1ccc(C(=O)CSc2ncc(Cl)s2)c1 ZINC001559445514 938226628 /nfs/dbraw/zinc/22/66/28/938226628.db2.gz DSMDYNCTPLMKFD-UHFFFAOYSA-N 0 0 272.782 3.110 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCCC(C)(C)O2)c(OC)c1 ZINC001559665045 938232309 /nfs/dbraw/zinc/23/23/09/938232309.db2.gz BKTLQDRTISIETQ-AWEZNQCLSA-N 0 0 293.407 3.488 20 10 CGCDRN CN(C)c1ccc(CN2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC001559716527 938233418 /nfs/dbraw/zinc/23/34/18/938233418.db2.gz NMOGMJVYTWEECG-UHFFFAOYSA-N 0 0 297.358 3.224 20 10 CGCDRN CC(C)C[C@H]1COCCN1Cc1ccc(Cl)cc1O ZINC001560697913 938270908 /nfs/dbraw/zinc/27/09/08/938270908.db2.gz UEURXWIOWNCAOH-AWEZNQCLSA-N 0 0 283.799 3.293 20 10 CGCDRN Cc1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC001560745844 938273768 /nfs/dbraw/zinc/27/37/68/938273768.db2.gz CAVHOBNZZCZDPR-UHFFFAOYSA-N 0 0 255.317 3.360 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1C1CC1 ZINC001560868662 938280492 /nfs/dbraw/zinc/28/04/92/938280492.db2.gz LJPDLTDGMNHTAB-CQSZACIVSA-N 0 0 267.319 3.291 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]Cc1noc2cc(F)ccc12 ZINC001560982099 938287777 /nfs/dbraw/zinc/28/77/77/938287777.db2.gz YFWLDFGLQKYNAA-UHFFFAOYSA-N 0 0 290.269 3.101 20 10 CGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)C12CCCC2 ZINC001561016024 938289608 /nfs/dbraw/zinc/28/96/08/938289608.db2.gz MVWATKNKCBLCIV-HOTGVXAUSA-N 0 0 293.382 3.359 20 10 CGCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2c([O-])cccc2F)C1 ZINC001561015574 938289751 /nfs/dbraw/zinc/28/97/51/938289751.db2.gz AGYZKQPMJFCBNC-NEPJUHHUSA-N 0 0 251.345 3.447 20 10 CGCDRN C=Cc1ccccc1NC(=O)NCc1ccc(OC)cc1O ZINC001563176627 938300935 /nfs/dbraw/zinc/30/09/35/938300935.db2.gz IDUJEEVLZVVCOS-UHFFFAOYSA-N 0 0 298.342 3.366 20 10 CGCDRN C[C@H]1CC[C@@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001117548172 958822321 /nfs/dbraw/zinc/82/23/21/958822321.db2.gz PMEJQIUIKVLIKH-JGVFFNPUSA-N 0 0 279.727 3.251 20 10 CGCDRN CCC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(C)(C)C ZINC001569236796 961725948 /nfs/dbraw/zinc/72/59/48/961725948.db2.gz ODDULSTWEQSNHT-LBPRGKRZSA-N 0 0 279.380 3.351 20 10 CGCDRN CNc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cn1 ZINC001578759868 962599281 /nfs/dbraw/zinc/59/92/81/962599281.db2.gz ADJXFRPQXNDPBE-PLNGDYQASA-N 0 0 282.391 3.315 20 10 CGCDRN Nc1ccc(NC(=O)c2nccc3ccsc32)cc1 ZINC001580449702 962727055 /nfs/dbraw/zinc/72/70/55/962727055.db2.gz SGQSMMBYPFQXAE-UHFFFAOYSA-N 0 0 269.329 3.131 20 10 CGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2ccc(C)nc2)cc1 ZINC001583376662 962804734 /nfs/dbraw/zinc/80/47/34/962804734.db2.gz XEBDKVBJQCNDFG-WDZFZDKYSA-N 0 0 294.354 3.269 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2coc3cc(O)ccc23)c1 ZINC001584989432 962970261 /nfs/dbraw/zinc/97/02/61/962970261.db2.gz YFSCHKPBWFXKQT-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1O ZINC001589123180 963342913 /nfs/dbraw/zinc/34/29/13/963342913.db2.gz JRPABNKOEKHIPO-UVBJJODRSA-N 0 0 297.354 3.356 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CC(C)(C)CC(=O)[O-])c1ccccc1O ZINC001592445339 978111859 /nfs/dbraw/zinc/11/18/59/978111859.db2.gz KHXOLQMPJWRGJZ-NWDGAFQWSA-N 0 0 279.380 3.322 20 10 CGCDRN CCC(CC)(C[NH2+][C@H](C)c1cc(F)ccc1O)C(=O)[O-] ZINC001595077855 979356985 /nfs/dbraw/zinc/35/69/85/979356985.db2.gz QUQPHQOFVIZXLI-SNVBAGLBSA-N 0 0 283.343 3.073 20 10 CGCDRN CCCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001595747639 982414716 /nfs/dbraw/zinc/41/47/16/982414716.db2.gz HFYTYTUTBDKQAR-XJKSGUPXSA-N 0 0 293.407 3.494 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CSC ZINC000066830345 345307862 /nfs/dbraw/zinc/30/78/62/345307862.db2.gz BBUJVMITJPESHV-ZDUSSCGKSA-N 0 0 294.464 3.100 20 10 CGCDRN Cc1cc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000092689353 345853190 /nfs/dbraw/zinc/85/31/90/345853190.db2.gz VCIURTAUSBMIRY-UHFFFAOYSA-N 0 0 272.304 3.245 20 10 CGCDRN CCOc1cccc(NCc2cccc(OC)c2O)c1 ZINC000037780250 369110785 /nfs/dbraw/zinc/11/07/85/369110785.db2.gz GYKXOMBDUWUEMT-UHFFFAOYSA-N 0 0 273.332 3.412 20 10 CGCDRN CCc1ccsc1C(=O)N(C)Cc1ccccc1O ZINC000048918672 369373087 /nfs/dbraw/zinc/37/30/87/369373087.db2.gz IVZLKFKWTNHKOG-UHFFFAOYSA-N 0 0 275.373 3.288 20 10 CGCDRN COc1ccc(N(Cc2noc(C)n2)[C@@H](C)C2CC2)cc1 ZINC000111236637 370395037 /nfs/dbraw/zinc/39/50/37/370395037.db2.gz LYWMZDGCGZMJNU-NSHDSACASA-N 0 0 287.363 3.192 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCSC2)c1 ZINC000287128003 371607838 /nfs/dbraw/zinc/60/78/38/371607838.db2.gz RMMIMONTLWMOCP-OLZOCXBDSA-N 0 0 265.422 3.494 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000287811067 371707948 /nfs/dbraw/zinc/70/79/48/371707948.db2.gz UROMVMNKQNTMNC-BFHYXJOUSA-N 0 0 283.799 3.390 20 10 CGCDRN CC(=O)c1cc(F)cc(CN(C)Cc2occc2C)c1O ZINC000292153217 372183484 /nfs/dbraw/zinc/18/34/84/372183484.db2.gz KGOBCAVYSHDUBB-UHFFFAOYSA-N 0 0 291.322 3.267 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCCO1 ZINC000293556834 372411144 /nfs/dbraw/zinc/41/11/44/372411144.db2.gz HQXAPLZKCSXXPE-LKFCYVNXSA-N 0 0 287.762 3.232 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000293676487 372446493 /nfs/dbraw/zinc/44/64/93/372446493.db2.gz QZUVICLQODXWOJ-NHYWBVRUSA-N 0 0 299.773 3.232 20 10 CGCDRN COC[C@@]1(C)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000294149689 372594885 /nfs/dbraw/zinc/59/48/85/372594885.db2.gz HHVFAXRSKKPIAN-SFHVURJKSA-N 0 0 285.387 3.404 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC1(F)F ZINC000294609980 372662271 /nfs/dbraw/zinc/66/22/71/372662271.db2.gz XBRJCAYBFGRVNE-CQSZACIVSA-N 0 0 296.361 3.145 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000294745506 372670836 /nfs/dbraw/zinc/67/08/36/372670836.db2.gz RBJIMLVPYSYPCG-ZFWWWQNUSA-N 0 0 299.773 3.328 20 10 CGCDRN O=C(CC[C@@H]1CCCCO1)CSc1nccs1 ZINC000295777021 372908892 /nfs/dbraw/zinc/90/88/92/372908892.db2.gz QIXMWMGZLORUAY-NSHDSACASA-N 0 0 271.407 3.154 20 10 CGCDRN Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000296648779 373206496 /nfs/dbraw/zinc/20/64/96/373206496.db2.gz YQXYNPRRLXUTCI-NSHDSACASA-N 0 0 292.329 3.267 20 10 CGCDRN Cc1ccccc1OCCCC(=O)NCc1ccc(N)cc1 ZINC000296840009 373249900 /nfs/dbraw/zinc/24/99/00/373249900.db2.gz BVCVDWRXIILNDG-UHFFFAOYSA-N 0 0 298.386 3.053 20 10 CGCDRN CS[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298969537 373440043 /nfs/dbraw/zinc/44/00/43/373440043.db2.gz IAAUTDDWFSUIIU-ZDUSSCGKSA-N 0 0 294.464 3.241 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C1CC1 ZINC000175830607 373525427 /nfs/dbraw/zinc/52/54/27/373525427.db2.gz NKRKEFJBGPCZNA-LBPRGKRZSA-N 0 0 261.365 3.177 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(O)c1 ZINC000175962365 373541183 /nfs/dbraw/zinc/54/11/83/373541183.db2.gz XRYIDEOAGIGYAH-UHFFFAOYSA-N 0 0 298.386 3.121 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000179678680 373902965 /nfs/dbraw/zinc/90/29/65/373902965.db2.gz BEMUXKKITSMPIT-NSHDSACASA-N 0 0 281.783 3.047 20 10 CGCDRN CC(C)c1noc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302384701 373859442 /nfs/dbraw/zinc/85/94/42/373859442.db2.gz INSDFMAXFYITBA-LLVKDONJSA-N 0 0 274.368 3.432 20 10 CGCDRN CCCO[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000180180070 373973416 /nfs/dbraw/zinc/97/34/16/373973416.db2.gz YICSNOSZXVGMBS-MRXNPFEDSA-N 0 0 277.408 3.482 20 10 CGCDRN CCCO[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)CC1 ZINC000180180322 373974491 /nfs/dbraw/zinc/97/44/91/373974491.db2.gz GTUDULJDGXPJQK-HNNXBMFYSA-N 0 0 293.407 3.182 20 10 CGCDRN Cc1ccc(C(=O)N2CC3(CC3)c3ccccc32)c(O)c1O ZINC000182488294 374281698 /nfs/dbraw/zinc/28/16/98/374281698.db2.gz MUNYKOLIZVOWRW-UHFFFAOYSA-N 0 0 295.338 3.098 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000473279862 375048206 /nfs/dbraw/zinc/04/82/06/375048206.db2.gz KQLJMADWDBVRFY-HALDLXJZSA-N 0 0 282.387 3.149 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000191603785 375644352 /nfs/dbraw/zinc/64/43/52/375644352.db2.gz QRJQCNDNDHHNHI-QMTHXVAHSA-N 0 0 299.773 3.232 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)n1-c1ccccn1 ZINC000192845616 375794972 /nfs/dbraw/zinc/79/49/72/375794972.db2.gz GRMKPHBVSAHCKL-GFCCVEGCSA-N 0 0 283.375 3.017 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cc1OC ZINC000271752129 378502297 /nfs/dbraw/zinc/50/22/97/378502297.db2.gz VZWDBXZZRZTXTE-NEPJUHHUSA-N 0 0 279.380 3.030 20 10 CGCDRN COCC[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc(C)o1 ZINC000272667251 378686352 /nfs/dbraw/zinc/68/63/52/378686352.db2.gz SJDBVRNRPGPNIV-CQSZACIVSA-N 0 0 293.338 3.300 20 10 CGCDRN C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000273361152 378742360 /nfs/dbraw/zinc/74/23/60/378742360.db2.gz VXHFLQDTPNLLKQ-NSHDSACASA-N 0 0 279.380 3.176 20 10 CGCDRN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000273459228 378748990 /nfs/dbraw/zinc/74/89/90/378748990.db2.gz HSHYXEIULNGATC-DETPVDSQSA-N 0 0 281.371 3.386 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(C)n1 ZINC000348632319 379002269 /nfs/dbraw/zinc/00/22/69/379002269.db2.gz FEIGGPPMLSJGEZ-UHFFFAOYSA-N 0 0 293.370 3.120 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000371420029 379162807 /nfs/dbraw/zinc/16/28/07/379162807.db2.gz YDWYXKDMGHLIGC-UHFFFAOYSA-N 0 0 291.782 3.148 20 10 CGCDRN CC(C)(C)CCCNC(=O)NCc1ccccc1O ZINC000740061543 572430786 /nfs/dbraw/zinc/43/07/86/572430786.db2.gz GINSBZNBNALSHA-UHFFFAOYSA-N 0 0 264.369 3.018 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1[nH]ccc1C ZINC000281395679 379832680 /nfs/dbraw/zinc/83/26/80/379832680.db2.gz VRXOVBBYNCVCMZ-UHFFFAOYSA-N 0 0 272.348 3.081 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC(F)(F)C2)cc1 ZINC000282511589 379934957 /nfs/dbraw/zinc/93/49/57/379934957.db2.gz KLTBVPIKACUPGY-ZDUSSCGKSA-N 0 0 296.361 3.194 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000286141264 380165531 /nfs/dbraw/zinc/16/55/31/380165531.db2.gz OYSCGIQKCIGEQP-YPMHNXCESA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000286215129 380177911 /nfs/dbraw/zinc/17/79/11/380177911.db2.gz SETRQCVQLRCDLV-XHDPSFHLSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1[O-] ZINC000286281974 380187582 /nfs/dbraw/zinc/18/75/82/380187582.db2.gz WAONSWMZJWTKSG-UONOGXRCSA-N 0 0 289.354 3.373 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](CC)c1ccc(F)cc1O ZINC000286318535 380195564 /nfs/dbraw/zinc/19/55/64/380195564.db2.gz XVLLRSHEFYTHOI-LBPRGKRZSA-N 0 0 277.343 3.390 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185605400 262306539 /nfs/dbraw/zinc/30/65/39/262306539.db2.gz CJHAREHUYJLXDX-KBPBESRZSA-N 0 0 265.397 3.150 20 10 CGCDRN C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(F)cc1O ZINC000287391785 392397159 /nfs/dbraw/zinc/39/71/59/392397159.db2.gz QERQEPAETAQTJT-BQBZGAKWSA-N 0 0 251.223 3.133 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)nn(C)c2C)cc1Cl ZINC000121972619 392417867 /nfs/dbraw/zinc/41/78/67/392417867.db2.gz ZBFQVUMWOVNKKR-UHFFFAOYSA-N 0 0 293.798 3.335 20 10 CGCDRN CCOc1cccc(CN(CC)CC(F)(F)F)c1O ZINC000132524854 392459919 /nfs/dbraw/zinc/45/99/19/392459919.db2.gz BSBYRTZRWISFJK-UHFFFAOYSA-N 0 0 277.286 3.175 20 10 CGCDRN CC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000132880085 392461324 /nfs/dbraw/zinc/46/13/24/392461324.db2.gz XFLOEVRBVYSTLP-HNNXBMFYSA-N 0 0 297.402 3.361 20 10 CGCDRN Cc1nscc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348697197 393127071 /nfs/dbraw/zinc/12/70/71/393127071.db2.gz HAONOUJWZKLHHQ-UHFFFAOYSA-N 0 0 299.399 3.182 20 10 CGCDRN C[C@H]1CCC[C@@H](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000070545838 260157725 /nfs/dbraw/zinc/15/77/25/260157725.db2.gz LDYZYDUKRPOWCB-KBPBESRZSA-N 0 0 274.408 3.144 20 10 CGCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000130849600 260399342 /nfs/dbraw/zinc/39/93/42/260399342.db2.gz FODXXGQQFWIHAT-HOTGVXAUSA-N 0 0 274.408 3.142 20 10 CGCDRN CCOc1ccc(O)c(CN(CC)CC(F)(F)F)c1 ZINC000091813310 260486041 /nfs/dbraw/zinc/48/60/41/260486041.db2.gz OFOONFOBIOWFIN-UHFFFAOYSA-N 0 0 277.286 3.175 20 10 CGCDRN CSCCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000151039042 260977075 /nfs/dbraw/zinc/97/70/75/260977075.db2.gz URDNXXGLMFMAIM-UHFFFAOYSA-N 0 0 298.427 3.041 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000152490022 261064952 /nfs/dbraw/zinc/06/49/52/261064952.db2.gz FXJXBAUBQUBKOD-IRXDYDNUSA-N 0 0 286.419 3.144 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccccc1NC(C)=O ZINC000155226218 261099492 /nfs/dbraw/zinc/09/94/92/261099492.db2.gz UVBXAVJGYPBLCW-UHFFFAOYSA-N 0 0 296.370 3.216 20 10 CGCDRN CC(C)(C)c1ncsc1C(=O)Nc1ccc(N)cc1 ZINC000160374317 261212623 /nfs/dbraw/zinc/21/26/23/261212623.db2.gz PIYGRCRAKIZLCQ-UHFFFAOYSA-N 0 0 275.377 3.275 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(C(=O)NC3CC3)c2)c1 ZINC000103855045 261335872 /nfs/dbraw/zinc/33/58/72/261335872.db2.gz VMDXEBXESFAXKV-UHFFFAOYSA-N 0 0 296.370 3.205 20 10 CGCDRN COc1cc(Cl)cc(CN(C)Cc2nccs2)c1O ZINC000184696658 262025655 /nfs/dbraw/zinc/02/56/55/262025655.db2.gz QUPWNNDLOBBFNO-UHFFFAOYSA-N 0 0 298.795 3.143 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000184944965 262034986 /nfs/dbraw/zinc/03/49/86/262034986.db2.gz QNDNQUANFSXBBF-YVEFUNNKSA-N 0 0 289.350 3.224 20 10 CGCDRN CCC[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000185430951 262054368 /nfs/dbraw/zinc/05/43/68/262054368.db2.gz LGHCPIJMPYXZNF-GFCCVEGCSA-N 0 0 277.364 3.201 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C[C@H]2C=CCCC2)cc1 ZINC000186255113 262085836 /nfs/dbraw/zinc/08/58/36/262085836.db2.gz XGLWLFUTPXBTFU-AWEZNQCLSA-N 0 0 272.392 3.115 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185605429 262306451 /nfs/dbraw/zinc/30/64/51/262306451.db2.gz CJHAREHUYJLXDX-KGLIPLIRSA-N 0 0 265.397 3.150 20 10 CGCDRN CC(C)OCCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186529582 262316194 /nfs/dbraw/zinc/31/61/94/262316194.db2.gz GGINMOGEELKJCL-LBPRGKRZSA-N 0 0 269.360 3.387 20 10 CGCDRN COCCc1ccccc1NCc1ccccc1O ZINC000188957623 264259812 /nfs/dbraw/zinc/25/98/12/264259812.db2.gz QOEZEDIVRUOVHJ-UHFFFAOYSA-N 0 0 257.333 3.193 20 10 CGCDRN CCOC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000189353743 264293021 /nfs/dbraw/zinc/29/30/21/264293021.db2.gz QZCPACVRAQYNMZ-BXUZGUMPSA-N 0 0 269.360 3.243 20 10 CGCDRN CC/C(C)=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000294265075 265008398 /nfs/dbraw/zinc/00/83/98/265008398.db2.gz ABNDUQGWFGVFQV-WYMLVPIESA-N 0 0 272.392 3.259 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000286075556 328249021 /nfs/dbraw/zinc/24/90/21/328249021.db2.gz LGDUKUIYMSEAAE-JKOKRWQUSA-N 0 0 267.344 3.140 20 10 CGCDRN Fc1cccc2c1CCN2Cc1c[nH]nc1-c1cccnc1 ZINC000184429127 329257921 /nfs/dbraw/zinc/25/79/21/329257921.db2.gz GKLRNZMJKWFSIO-UHFFFAOYSA-N 0 0 294.333 3.174 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)C[C@H]1C ZINC000472286991 331534696 /nfs/dbraw/zinc/53/46/96/331534696.db2.gz YGNZXEDPQQAWJJ-QWHCGFSZSA-N 0 0 299.418 3.427 20 10 CGCDRN Cc1cnc([C@@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000134907546 334107832 /nfs/dbraw/zinc/10/78/32/334107832.db2.gz KAOXUBTVNFAQOY-GFCCVEGCSA-N 0 0 275.421 3.368 20 10 CGCDRN Cc1cnc([C@H](C)NCc2ccc3c(c2)CCO3)s1 ZINC000134912763 334108192 /nfs/dbraw/zinc/10/81/92/334108192.db2.gz IMILHBOWRDGRGI-NSHDSACASA-N 0 0 274.389 3.237 20 10 CGCDRN C[C@H](N[C@@H](C)c1ccc2ccccc2c1O)c1ncn(C)n1 ZINC000275636714 334793056 /nfs/dbraw/zinc/79/30/56/334793056.db2.gz BZTFVZHGXJAQDS-RYUDHWBXSA-N 0 0 296.374 3.086 20 10 CGCDRN CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000152490549 519789046 /nfs/dbraw/zinc/78/90/46/519789046.db2.gz GRGXXLNMABSOQQ-GOSISDBHSA-N 0 0 296.414 3.367 20 10 CGCDRN CCCOc1ccc(CNc2ccc(Cl)nn2)c(O)c1 ZINC000290948046 520374525 /nfs/dbraw/zinc/37/45/25/520374525.db2.gz MIRSVLVJXUBHFZ-UHFFFAOYSA-N 0 0 293.754 3.237 20 10 CGCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000291700907 520481442 /nfs/dbraw/zinc/48/14/42/520481442.db2.gz ZBEQVPBDGSRXIB-DZGCQCFKSA-N 0 0 295.810 3.435 20 10 CGCDRN CCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298364848 520683197 /nfs/dbraw/zinc/68/31/97/520683197.db2.gz XSMCBNYGMLGPNM-UHFFFAOYSA-N 0 0 271.364 3.019 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H](O)CC(F)(F)F)cc1 ZINC000276231333 521026802 /nfs/dbraw/zinc/02/68/02/521026802.db2.gz NCYWYNBJZQWWSX-LBPRGKRZSA-N 0 0 291.313 3.225 20 10 CGCDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236864302 521108793 /nfs/dbraw/zinc/10/87/93/521108793.db2.gz CVJYYXNRHNDDQF-ZBFHGGJFSA-N 0 0 274.408 3.286 20 10 CGCDRN CCOc1ccc(NCc2cccc(C)c2O)cc1CO ZINC000158062121 521126743 /nfs/dbraw/zinc/12/67/43/521126743.db2.gz CSVGCJUOAMAFAU-UHFFFAOYSA-N 0 0 287.359 3.204 20 10 CGCDRN CCN(C[C@H]1CC2(CCC2)C(=O)O1)c1ccc(OC)cc1 ZINC000277041309 521264558 /nfs/dbraw/zinc/26/45/58/521264558.db2.gz TXHJMSYGFMXWER-OAHLLOKOSA-N 0 0 289.375 3.007 20 10 CGCDRN CCC[C@](C)(CC)C(=O)NCc1cccc(OC)c1O ZINC000279838507 521265910 /nfs/dbraw/zinc/26/59/10/521265910.db2.gz JLDDOAFJGNLDPT-INIZCTEOSA-N 0 0 279.380 3.233 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1C=CCC1 ZINC000052851373 521317832 /nfs/dbraw/zinc/31/78/32/521317832.db2.gz WTYMVAWSLUBXOG-OAHLLOKOSA-N 0 0 286.419 3.457 20 10 CGCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)C(C)C ZINC000278272276 521331320 /nfs/dbraw/zinc/33/13/20/521331320.db2.gz RVCBHTWBDWRIIR-LLVKDONJSA-N 0 0 296.367 3.175 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CC(F)(F)F ZINC000264057961 521687276 /nfs/dbraw/zinc/68/72/76/521687276.db2.gz IJYLIEJTWFSKNR-UHFFFAOYSA-N 0 0 275.270 3.083 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])cn1 ZINC000269401982 521690501 /nfs/dbraw/zinc/69/05/01/521690501.db2.gz XFDOHSXSDRCWFW-UHFFFAOYSA-N 0 0 287.319 3.112 20 10 CGCDRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1O ZINC000267433264 523048358 /nfs/dbraw/zinc/04/83/58/523048358.db2.gz ZGTROOHJCPLMPY-QGZVFWFLSA-N 0 0 299.370 3.174 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CC1 ZINC000052396860 523262084 /nfs/dbraw/zinc/26/20/84/523262084.db2.gz VZEWUOCDLLUZNL-UHFFFAOYSA-N 0 0 272.392 3.045 20 10 CGCDRN COc1cccc([C@@H](C)CC(=O)NCc2ccc(N)cc2)c1 ZINC000297355719 524086080 /nfs/dbraw/zinc/08/60/80/524086080.db2.gz ZMVJYRYDEYYBEQ-ZDUSSCGKSA-N 0 0 298.386 3.087 20 10 CGCDRN C[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000047035552 524206845 /nfs/dbraw/zinc/20/68/45/524206845.db2.gz LJLDHYFULJIZDB-JSGCOSHPSA-N 0 0 276.380 3.112 20 10 CGCDRN Cc1ccc(CCNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000116555659 524325736 /nfs/dbraw/zinc/32/57/36/524325736.db2.gz ALSNPHDBBBPSDE-UHFFFAOYSA-N 0 0 298.386 3.085 20 10 CGCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1O ZINC000193073068 524941415 /nfs/dbraw/zinc/94/14/15/524941415.db2.gz VNAUELVKRZUSAI-JSGCOSHPSA-N 0 0 297.354 3.116 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(N3CCCC3)nc2)c1 ZINC000071407471 525354362 /nfs/dbraw/zinc/35/43/62/525354362.db2.gz LHKMZXLHCLXKMD-UHFFFAOYSA-N 0 0 283.375 3.308 20 10 CGCDRN C[C@@H]([NH2+]CCc1cccs1)c1ccc(F)cc1[O-] ZINC000062744899 525464684 /nfs/dbraw/zinc/46/46/84/525464684.db2.gz OHWFPAFTGVBNFA-SNVBAGLBSA-N 0 0 265.353 3.486 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(F)cc1[O-] ZINC000290179195 525488155 /nfs/dbraw/zinc/48/81/55/525488155.db2.gz FEOWQZZNYKIHCW-VXGBXAGGSA-N 0 0 287.334 3.358 20 10 CGCDRN Cc1cccnc1[C@H](NC(=O)Cc1ccc(N)cc1)C(C)C ZINC000236617345 525551345 /nfs/dbraw/zinc/55/13/45/525551345.db2.gz VMVPVOFLYZUFGC-QGZVFWFLSA-N 0 0 297.402 3.028 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccnc1 ZINC000062745039 525608314 /nfs/dbraw/zinc/60/83/14/525608314.db2.gz NSVVVCZUSXBFMV-MNOVXSKESA-N 0 0 260.312 3.338 20 10 CGCDRN C[C@@H](Nc1ccc(CCO)cc1)c1ccc(F)cc1O ZINC000062748030 525702832 /nfs/dbraw/zinc/70/28/32/525702832.db2.gz FEXQQWSXJBGKKT-LLVKDONJSA-N 0 0 275.323 3.239 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)N(C)C1CCCCC1 ZINC000299045079 526007296 /nfs/dbraw/zinc/00/72/96/526007296.db2.gz NUSKXIGWGWCCBU-SNVBAGLBSA-N 0 0 284.450 3.415 20 10 CGCDRN COc1cccc(CNc2cc(C3CC3)ccn2)c1O ZINC000289869226 526041907 /nfs/dbraw/zinc/04/19/07/526041907.db2.gz QZWWTLRJXNNWRL-UHFFFAOYSA-N 0 0 270.332 3.285 20 10 CGCDRN Cc1cc(C(=O)N2CCC2)c(C)n1-c1ccc(F)cc1 ZINC000070692515 526241192 /nfs/dbraw/zinc/24/11/92/526241192.db2.gz RPPNAMXSUOOSLF-UHFFFAOYSA-N 0 0 272.323 3.079 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000289381558 526327290 /nfs/dbraw/zinc/32/72/90/526327290.db2.gz COXDYAYXPABMFU-HNNXBMFYSA-N 0 0 291.778 3.259 20 10 CGCDRN Cc1nsc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000266106664 526714445 /nfs/dbraw/zinc/71/44/45/526714445.db2.gz JCGPKKNNGBMWLW-UHFFFAOYSA-N 0 0 274.393 3.059 20 10 CGCDRN Cc1nc(CN(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000102675128 526841010 /nfs/dbraw/zinc/84/10/10/526841010.db2.gz JNBAMDKCANOSEH-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN Nc1ccc(CCNC(=O)CCCC2CCCC2)cc1 ZINC000238121419 527479068 /nfs/dbraw/zinc/47/90/68/527479068.db2.gz VTQGIGJYKAHZAK-UHFFFAOYSA-N 0 0 274.408 3.288 20 10 CGCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1cccc(Cl)c1 ZINC000493631822 535657280 /nfs/dbraw/zinc/65/72/80/535657280.db2.gz VAZWPGVLEICSFK-SREVYHEPSA-N 0 0 275.739 3.129 20 10 CGCDRN CCN(Cc1cn2ccccc2n1)c1ccc(OC)cc1 ZINC000728172770 571792264 /nfs/dbraw/zinc/79/22/64/571792264.db2.gz KUNKYMKGXPNSCG-UHFFFAOYSA-N 0 0 281.359 3.369 20 10 CGCDRN CN(Cc1ccc(Cl)s1)C(=O)C1=CC(=O)CS1 ZINC000731864575 572430041 /nfs/dbraw/zinc/43/00/41/572430041.db2.gz XMHBEJMTKBBEON-UHFFFAOYSA-N 0 0 287.793 3.441 20 10 CGCDRN Cc1cccc(C(C)(C)CNC(=O)C2=CC(=O)CS2)c1 ZINC000731872358 572431276 /nfs/dbraw/zinc/43/12/76/572431276.db2.gz GPASJSFBCWCUSN-UHFFFAOYSA-N 0 0 289.400 3.470 20 10 CGCDRN O=C(Nc1cccc2cccnc21)C1=CC(=O)CS1 ZINC000732263279 572454765 /nfs/dbraw/zinc/45/47/65/572454765.db2.gz BLVKLXDTOHXXND-UHFFFAOYSA-N 0 0 270.313 3.254 20 10 CGCDRN CC1CCC(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000732275453 572457138 /nfs/dbraw/zinc/45/71/38/572457138.db2.gz DRDHAKGNNOUIQR-UHFFFAOYSA-N 0 0 253.367 3.010 20 10 CGCDRN C/C(=C\C(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000732279613 572457945 /nfs/dbraw/zinc/45/79/45/572457945.db2.gz NHBMDNQVYPBDGD-FMIVXFBMSA-N 0 0 285.318 3.251 20 10 CGCDRN CCn1cc(C(=O)NCc2ccccc2O)c2ccccc21 ZINC000732280150 572458349 /nfs/dbraw/zinc/45/83/49/572458349.db2.gz ZTGADQYEUJOHTE-UHFFFAOYSA-N 0 0 294.354 3.297 20 10 CGCDRN CCS[C@@H]1CCCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000732579812 572472137 /nfs/dbraw/zinc/47/21/37/572472137.db2.gz MIDRYUXZTPJOMZ-LLVKDONJSA-N 0 0 285.434 3.202 20 10 CGCDRN C[C@@H](NC(=S)NCc1ccccc1O)c1cccs1 ZINC000726488583 572582480 /nfs/dbraw/zinc/58/24/80/572582480.db2.gz XFGVDZAGTGEIDW-SNVBAGLBSA-N 0 0 292.429 3.179 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CC2CCC2)cc1F ZINC000742654672 572604495 /nfs/dbraw/zinc/60/44/95/572604495.db2.gz WZFPQQCLHKRODM-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN c1csc(SCCCNc2ncnc3c2CCC3)n1 ZINC000733993948 572622193 /nfs/dbraw/zinc/62/21/93/572622193.db2.gz GMFMASWVDPJYFP-UHFFFAOYSA-N 0 0 292.433 3.016 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)C1=CC(=O)CS1 ZINC000734017718 572624909 /nfs/dbraw/zinc/62/49/09/572624909.db2.gz PFQPBEBEIOHSEO-GHMZBOCLSA-N 0 0 267.394 3.400 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1ccccc1O ZINC000734067951 572628057 /nfs/dbraw/zinc/62/80/57/572628057.db2.gz BGSCCXYWDWFXTN-KGLIPLIRSA-N 0 0 290.407 3.408 20 10 CGCDRN CC(C)[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000743329541 572647330 /nfs/dbraw/zinc/64/73/30/572647330.db2.gz ZEZCUTHROBLYRY-QGZVFWFLSA-N 0 0 283.371 3.448 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C(F)(F)F ZINC000743327655 572647752 /nfs/dbraw/zinc/64/77/52/572647752.db2.gz HAJPWOLSNSHKJR-SNVBAGLBSA-N 0 0 289.297 3.329 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1CCCCC1 ZINC000734405600 572652334 /nfs/dbraw/zinc/65/23/34/572652334.db2.gz UTJSYXJOQSLYLK-UHFFFAOYSA-N 0 0 274.408 3.258 20 10 CGCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000734523964 572663760 /nfs/dbraw/zinc/66/37/60/572663760.db2.gz FFLHLTUZCYLXHW-JSGCOSHPSA-N 0 0 291.439 3.295 20 10 CGCDRN CCCN(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000734686520 572675187 /nfs/dbraw/zinc/67/51/87/572675187.db2.gz QAQCJFVWYCMVPX-UHFFFAOYSA-N 0 0 277.412 3.003 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000743642901 572676219 /nfs/dbraw/zinc/67/62/19/572676219.db2.gz UDKHRDIHAWEXRF-HUUCEWRRSA-N 0 0 288.391 3.160 20 10 CGCDRN COc1ccc(N(C)CCCCCCCO)cc1OC ZINC000743841109 572686593 /nfs/dbraw/zinc/68/65/93/572686593.db2.gz QCHXTGMUWYIYRX-UHFFFAOYSA-N 0 0 281.396 3.083 20 10 CGCDRN CCC[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1O ZINC000737021488 572840010 /nfs/dbraw/zinc/84/00/10/572840010.db2.gz VBRWMTFYNDZCFO-UHFFFAOYSA-N 0 0 289.331 3.096 20 10 CGCDRN CCN(Cc1nnsc1Cl)c1ccc(OC)cc1 ZINC000746109154 572853774 /nfs/dbraw/zinc/85/37/74/572853774.db2.gz KXHCKVKOZZGIGW-UHFFFAOYSA-N 0 0 283.784 3.227 20 10 CGCDRN C/C=C\C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000746426238 572871315 /nfs/dbraw/zinc/87/13/15/572871315.db2.gz OQBVKYWRAVWASS-YWEYNIOJSA-N 0 0 282.387 3.329 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC12CCCC2 ZINC000747307845 572923863 /nfs/dbraw/zinc/92/38/63/572923863.db2.gz JTBPBNWLQPVSNO-INIZCTEOSA-N 0 0 286.419 3.258 20 10 CGCDRN Cc1c2ccccc2oc1C(=O)NCc1ccccc1O ZINC000748354276 572975119 /nfs/dbraw/zinc/97/51/19/572975119.db2.gz IKTKRTVEAPCCSF-UHFFFAOYSA-N 0 0 281.311 3.377 20 10 CGCDRN Cc1nsc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000749271379 572991389 /nfs/dbraw/zinc/99/13/89/572991389.db2.gz CPXLLKDKWVUXRS-UHFFFAOYSA-N 0 0 288.420 3.082 20 10 CGCDRN C/C(=C/C(=O)NCc1ccccc1O)c1ccccc1 ZINC000749941900 573064085 /nfs/dbraw/zinc/06/40/85/573064085.db2.gz RWRDNDKZTZLULV-QBFSEMIESA-N 0 0 267.328 3.112 20 10 CGCDRN CCCN(C(=O)/C=C/c1cncc(F)c1)c1cccnc1 ZINC000750120429 573090492 /nfs/dbraw/zinc/09/04/92/573090492.db2.gz HTRCLCUGMAGBCH-AATRIKPKSA-N 0 0 285.322 3.072 20 10 CGCDRN CCn1cc(/C=C2\c3cccc4c3N(CCC4)C2=O)c(C)n1 ZINC000899384819 620683841 /nfs/dbraw/zinc/68/38/41/620683841.db2.gz OVQRXEGFIUYLGV-MHWRWJLKSA-N 0 0 293.370 3.045 20 10 CGCDRN Oc1c(Br)cccc1CNc1cncc(F)c1 ZINC000305961578 617777040 /nfs/dbraw/zinc/77/70/40/617777040.db2.gz PBOBPKIDQHVCPZ-UHFFFAOYSA-N 0 0 297.127 3.301 20 10 CGCDRN CCC(=CC(=O)NCc1cccc(Cl)c1O)CC ZINC000890759427 617815459 /nfs/dbraw/zinc/81/54/59/617815459.db2.gz BGLRCKYYCVYQKS-UHFFFAOYSA-N 0 0 267.756 3.408 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@H]1C1CCCC1 ZINC000890761847 617817984 /nfs/dbraw/zinc/81/79/84/617817984.db2.gz ZXKULBMKCMYTCM-QWHCGFSZSA-N 0 0 293.794 3.488 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1C[C@@H]1C1CCCC1 ZINC000890761846 617818595 /nfs/dbraw/zinc/81/85/95/617818595.db2.gz ZXKULBMKCMYTCM-OLZOCXBDSA-N 0 0 293.794 3.488 20 10 CGCDRN C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)CC1 ZINC000235679830 617956329 /nfs/dbraw/zinc/95/63/29/617956329.db2.gz LRQWMPJHOFSCCK-WCQYABFASA-N 0 0 261.369 3.359 20 10 CGCDRN COCc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000076272195 618115603 /nfs/dbraw/zinc/11/56/03/618115603.db2.gz LGBJVXQWNLDSTR-UHFFFAOYSA-N 0 0 273.332 3.159 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)C[C@@H](C)O2 ZINC000255378167 618244367 /nfs/dbraw/zinc/24/43/67/618244367.db2.gz FBRUMHZWSNQCDM-IQCBXXCUSA-N 0 0 294.354 3.217 20 10 CGCDRN CC[N@H+](Cc1ccoc1)Cc1ccc(OC)c(OC)c1O ZINC000891902243 618373919 /nfs/dbraw/zinc/37/39/19/618373919.db2.gz RASZPDQNCRTLMO-UHFFFAOYSA-N 0 0 291.347 3.025 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C3CC3)cn2)c1 ZINC000933958808 618406205 /nfs/dbraw/zinc/40/62/05/618406205.db2.gz CETMOHPUZKLHRK-UHFFFAOYSA-N 0 0 297.358 3.295 20 10 CGCDRN CSC1(CNC(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000235130721 618676634 /nfs/dbraw/zinc/67/66/34/618676634.db2.gz WAIBAKOKCGFKBP-UHFFFAOYSA-N 0 0 293.436 3.456 20 10 CGCDRN CCCc1ccccc1C(=O)NCc1cc(OC)ccc1O ZINC000934940929 618714031 /nfs/dbraw/zinc/71/40/31/618714031.db2.gz BXFQFYWRNPZKTA-UHFFFAOYSA-N 0 0 299.370 3.283 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2)c(O)c1O ZINC000179398915 618781530 /nfs/dbraw/zinc/78/15/30/618781530.db2.gz RAKYFPJMTFRVIN-GFCCVEGCSA-N 0 0 285.343 3.239 20 10 CGCDRN Cc1ccc(F)c(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000179398145 618781960 /nfs/dbraw/zinc/78/19/60/618781960.db2.gz NOAOLZJVPSKCBZ-UHFFFAOYSA-N 0 0 275.279 3.106 20 10 CGCDRN CCCN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC000177667876 618834932 /nfs/dbraw/zinc/83/49/32/618834932.db2.gz SXBCOIFUTKOXAI-UHFFFAOYSA-N 0 0 299.370 3.459 20 10 CGCDRN C[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000892840563 618942964 /nfs/dbraw/zinc/94/29/64/618942964.db2.gz QCKRBROALNOFIN-CABZTGNLSA-N 0 0 282.771 3.033 20 10 CGCDRN N#Cc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000314092427 618958620 /nfs/dbraw/zinc/95/86/20/618958620.db2.gz HKGWRLLGBNHQOF-UHFFFAOYSA-N 0 0 293.370 3.007 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C ZINC000180590653 619017720 /nfs/dbraw/zinc/01/77/20/619017720.db2.gz NFPOWDZRDJISHD-SVCNHYAHSA-N 0 0 289.375 3.052 20 10 CGCDRN CC(C)c1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000182408521 619036552 /nfs/dbraw/zinc/03/65/52/619036552.db2.gz GWEFTBYGLOTOKI-UHFFFAOYSA-N 0 0 291.372 3.316 20 10 CGCDRN CCO[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000194398231 619155055 /nfs/dbraw/zinc/15/50/55/619155055.db2.gz RPVXSBIMCBHBPG-QGZVFWFLSA-N 0 0 299.370 3.128 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(CCO)c2)c1 ZINC000313153095 619163661 /nfs/dbraw/zinc/16/36/61/619163661.db2.gz DBVCEGVFXZZIFT-CYBMUJFWSA-N 0 0 271.360 3.409 20 10 CGCDRN COc1cc(Cl)cc(CNc2cccc(CO)c2)c1O ZINC000185205546 619222313 /nfs/dbraw/zinc/22/23/13/619222313.db2.gz TVKQBVNSDOEMBG-UHFFFAOYSA-N 0 0 293.750 3.159 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)C(=O)OC2 ZINC000840946756 619247555 /nfs/dbraw/zinc/24/75/55/619247555.db2.gz NYFQRVOOVCBZSG-UHFFFAOYSA-N 0 0 296.370 3.344 20 10 CGCDRN CC(C)c1ccsc1C(=O)NCCc1ccc(N)cc1 ZINC000236813169 619251170 /nfs/dbraw/zinc/25/11/70/619251170.db2.gz WUQDNPZDDYOHIP-UHFFFAOYSA-N 0 0 288.416 3.426 20 10 CGCDRN CC(C)c1c[nH]c(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC000893864059 619324138 /nfs/dbraw/zinc/32/41/38/619324138.db2.gz QRBPTCOHCYSRCA-UHFFFAOYSA-N 0 0 286.423 3.231 20 10 CGCDRN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000893910248 619330851 /nfs/dbraw/zinc/33/08/51/619330851.db2.gz ZGAUOBYQPREBIX-HNNXBMFYSA-N 0 0 292.329 3.346 20 10 CGCDRN C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000894329473 619494437 /nfs/dbraw/zinc/49/44/37/619494437.db2.gz TVGOFBFAMHFBMP-GXSJLCMTSA-N 0 0 282.771 3.033 20 10 CGCDRN CO[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(C)C ZINC000841888314 619815364 /nfs/dbraw/zinc/81/53/64/619815364.db2.gz HSEXNZTZYFVTJE-JTQLQIEISA-N 0 0 289.778 3.335 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2ccns2)c(Cl)c1 ZINC000895452707 619832232 /nfs/dbraw/zinc/83/22/32/619832232.db2.gz SGZBNVCQWYBJQG-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000895623757 619860576 /nfs/dbraw/zinc/86/05/76/619860576.db2.gz VFXQIFBHWPEAEG-UHFFFAOYSA-N 0 0 289.766 3.005 20 10 CGCDRN CC(C)[C@@H](C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895702301 619873151 /nfs/dbraw/zinc/87/31/51/619873151.db2.gz MPYUIOWNUMRZEV-SECBINFHSA-N 0 0 293.388 3.429 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(C2CC2)CC1 ZINC000895711379 619873735 /nfs/dbraw/zinc/87/37/35/619873735.db2.gz QFPDPGPLNAMCNV-UHFFFAOYSA-N 0 0 284.403 3.093 20 10 CGCDRN CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896644480 620040498 /nfs/dbraw/zinc/04/04/98/620040498.db2.gz WPLGVUGZGRURNF-YVEFUNNKSA-N 0 0 289.350 3.397 20 10 CGCDRN CCc1cccc(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896640175 620041262 /nfs/dbraw/zinc/04/12/62/620041262.db2.gz ZQDSJHNKWXFYCF-UHFFFAOYSA-N 0 0 259.324 3.384 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CCCC3(CCC3)O2)ccc(F)c1F ZINC000896917498 620099881 /nfs/dbraw/zinc/09/98/81/620099881.db2.gz BUTOUTAFMPIAPO-GFCCVEGCSA-N 0 0 297.345 3.252 20 10 CGCDRN CC(C)=C(C)C(=O)NCCCSc1nccs1 ZINC000751194749 620149073 /nfs/dbraw/zinc/14/90/73/620149073.db2.gz BKHFZGZLCAIUNQ-UHFFFAOYSA-N 0 0 270.423 3.098 20 10 CGCDRN COc1cccc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000121314263 620190025 /nfs/dbraw/zinc/19/00/25/620190025.db2.gz NLVUITILBHVVKM-UHFFFAOYSA-N 0 0 271.316 3.060 20 10 CGCDRN CN(Cc1cc(-c2ccco2)on1)c1ccc2c(c1)OCO2 ZINC000121316153 620195750 /nfs/dbraw/zinc/19/57/50/620195750.db2.gz GJFFVRWCVPRVAL-UHFFFAOYSA-N 0 0 298.298 3.300 20 10 CGCDRN CCCCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000022879205 620229831 /nfs/dbraw/zinc/22/98/31/620229831.db2.gz HBPZOMZSTZDRSD-UHFFFAOYSA-N 0 0 291.439 3.474 20 10 CGCDRN CC[C@H](C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000054469679 620352629 /nfs/dbraw/zinc/35/26/29/620352629.db2.gz YADPPZFXUPZASW-VIFPVBQESA-N 0 0 272.186 3.290 20 10 CGCDRN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])[nH]n1 ZINC000841752302 620376539 /nfs/dbraw/zinc/37/65/39/620376539.db2.gz SJUMCOKQHAKFRT-KOLCDFICSA-N 0 0 293.798 3.359 20 10 CGCDRN C[C@@H]([NH2+]CCCOC(F)F)c1ccc(Cl)cc1[O-] ZINC000841753771 620389924 /nfs/dbraw/zinc/38/99/24/620389924.db2.gz VZHFHDJQJXDGET-MRVPVSSYSA-N 0 0 279.714 3.326 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000841754086 620391966 /nfs/dbraw/zinc/39/19/66/620391966.db2.gz YTUHLTYCCUWBEA-UWVGGRQHSA-N 0 0 271.813 3.449 20 10 CGCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])CC(C)C ZINC000841755615 620399053 /nfs/dbraw/zinc/39/90/53/620399053.db2.gz KJLUZBBLHHKSHV-DGCLKSJQSA-N 0 0 269.360 3.243 20 10 CGCDRN C[C@@H]1CC2(CC([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)CO1 ZINC000897779935 620430651 /nfs/dbraw/zinc/43/06/51/620430651.db2.gz SSOBICJKBFLBKD-SBTGLGLWSA-N 0 0 299.773 3.232 20 10 CGCDRN CC(C)(C)n1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000898219006 620489382 /nfs/dbraw/zinc/48/93/82/620489382.db2.gz ARLFHIOENJDSTR-UHFFFAOYSA-N 0 0 293.798 3.287 20 10 CGCDRN C/C(=C(\F)C(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000901054149 620830191 /nfs/dbraw/zinc/83/01/91/620830191.db2.gz BTHVKCUACZKAPH-GXDHUFHOSA-N 0 0 263.312 3.004 20 10 CGCDRN CCc1onc(C)c1COc1ccc(N(C)C)cc1 ZINC000902733598 621416247 /nfs/dbraw/zinc/41/62/47/621416247.db2.gz KNENLAWZBQYZPW-UHFFFAOYSA-N 0 0 260.337 3.190 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000903317610 621688327 /nfs/dbraw/zinc/68/83/27/621688327.db2.gz MMSKWVWBMUYUGY-YODMDTAWSA-N 0 0 289.375 3.018 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903393149 621718363 /nfs/dbraw/zinc/71/83/63/621718363.db2.gz HTDWLGGGCKKLSI-VDDIYKPWSA-N 0 0 289.297 3.097 20 10 CGCDRN C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903393146 621718525 /nfs/dbraw/zinc/71/85/25/621718525.db2.gz HTDWLGGGCKKLSI-AUTRQRHGSA-N 0 0 289.297 3.097 20 10 CGCDRN CC1(C)SC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000802660942 622332561 /nfs/dbraw/zinc/33/25/61/622332561.db2.gz AAIVMUWZUPZEJP-JTQLQIEISA-N 0 0 275.776 3.168 20 10 CGCDRN CC[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910956380 622509878 /nfs/dbraw/zinc/50/98/78/622509878.db2.gz VSRZPJHOFRRMME-CYBMUJFWSA-N 0 0 299.370 3.298 20 10 CGCDRN Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910951218 622510381 /nfs/dbraw/zinc/51/03/81/622510381.db2.gz OYXQEQJALSKNDX-CYBMUJFWSA-N 0 0 299.370 3.216 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccc(O)cc1O)CC(C)(C)C ZINC000910951631 622510409 /nfs/dbraw/zinc/51/04/09/622510409.db2.gz JJZONGNKAFNTIG-NSHDSACASA-N 0 0 279.380 3.176 20 10 CGCDRN CCOc1ccc(N(C)CC(=O)Nc2ccccc2C)cc1 ZINC000150728413 622657032 /nfs/dbraw/zinc/65/70/32/622657032.db2.gz YVTBKEZEXWYYRY-UHFFFAOYSA-N 0 0 298.386 3.469 20 10 CGCDRN CCOC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000044689252 622817460 /nfs/dbraw/zinc/81/74/60/622817460.db2.gz JHPFGNXIWNUTFN-MRVPVSSYSA-N 0 0 278.179 3.214 20 10 CGCDRN CCOc1cccc(CNc2ccccc2N(C)C)c1O ZINC000057716616 622882377 /nfs/dbraw/zinc/88/23/77/622882377.db2.gz PATYOBLETQLIBZ-UHFFFAOYSA-N 0 0 286.375 3.469 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1ccc(F)nc1 ZINC000226550864 622981289 /nfs/dbraw/zinc/98/12/89/622981289.db2.gz MPWNCBSGYZXABJ-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN COc1ccc(F)c(NCc2cc(F)ccc2O)c1 ZINC000226580915 622983793 /nfs/dbraw/zinc/98/37/93/622983793.db2.gz CCLANZVZEONZBR-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN COCCOc1cccc(NCc2cc(F)ccc2O)c1 ZINC000226580745 622984691 /nfs/dbraw/zinc/98/46/91/622984691.db2.gz WFGMQDBXIQPPEF-UHFFFAOYSA-N 0 0 291.322 3.169 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC000228031770 623036797 /nfs/dbraw/zinc/03/67/97/623036797.db2.gz FPYGXRLBWWGRPP-MLGOLLRUSA-N 0 0 291.366 3.498 20 10 CGCDRN CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228631047 623068348 /nfs/dbraw/zinc/06/83/48/623068348.db2.gz GYZAYYXPEDHUOP-LBPRGKRZSA-N 0 0 269.772 3.429 20 10 CGCDRN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229407858 623128299 /nfs/dbraw/zinc/12/82/99/623128299.db2.gz ITVXEIYGMFQZQH-QWHCGFSZSA-N 0 0 273.380 3.461 20 10 CGCDRN c1csc(SCc2cccc3c2OCCO3)n1 ZINC000063563365 623334924 /nfs/dbraw/zinc/33/49/24/623334924.db2.gz XEIUGIBFYCPQJO-UHFFFAOYSA-N 0 0 265.359 3.207 20 10 CGCDRN CCN(C(=O)/C=C/c1cnn(C)c1)c1cccc(C)c1C ZINC000914529876 623820486 /nfs/dbraw/zinc/82/04/86/623820486.db2.gz ZHHWICMFDKWVJP-MDZDMXLPSA-N 0 0 283.375 3.103 20 10 CGCDRN Cn1c(Sc2nccs2)nnc1-c1ccccc1 ZINC000914862475 623869561 /nfs/dbraw/zinc/86/95/61/623869561.db2.gz FNGXYDDOIPDYAR-UHFFFAOYSA-N 0 0 274.374 3.090 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1C ZINC000917806160 624313617 /nfs/dbraw/zinc/31/36/17/624313617.db2.gz MOJSJTZZDDDCAL-CLFYSBASSA-N 0 0 266.344 3.375 20 10 CGCDRN CCc1ccc(N(CC)C(=O)/C=C/c2cnccn2)cc1 ZINC000918155714 624338530 /nfs/dbraw/zinc/33/85/30/624338530.db2.gz MEQKLJGMIZKIGM-JXMROGBWSA-N 0 0 281.359 3.105 20 10 CGCDRN Cc1ccc(O)c(CN2CCOc3ccccc32)c1 ZINC000154750896 624361066 /nfs/dbraw/zinc/36/10/66/624361066.db2.gz YRGJCDUMYKIDPT-UHFFFAOYSA-N 0 0 255.317 3.100 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CC2(Cl)Cl)cc1OC ZINC000920780924 624535859 /nfs/dbraw/zinc/53/58/59/624535859.db2.gz FLORDRREPKNMNG-SECBINFHSA-N 0 0 290.190 3.334 20 10 CGCDRN COc1ccc(N(C)CCOCCC(C)C)cc1OC ZINC000064517163 624626104 /nfs/dbraw/zinc/62/61/04/624626104.db2.gz FIPITCBELQXWKS-UHFFFAOYSA-N 0 0 281.396 3.203 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C#N)s2)cc1F ZINC000180772514 624771276 /nfs/dbraw/zinc/77/12/76/624771276.db2.gz OIDOYSYVMUHYEQ-UHFFFAOYSA-N 0 0 276.336 3.404 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(O)c1 ZINC000182611369 625021628 /nfs/dbraw/zinc/02/16/28/625021628.db2.gz AYDGQKBYIQOPMY-UHFFFAOYSA-N 0 0 285.343 3.150 20 10 CGCDRN CCCc1cnc(NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000182995732 625040860 /nfs/dbraw/zinc/04/08/60/625040860.db2.gz QOSAJMQWAOUFDL-UHFFFAOYSA-N 0 0 292.360 3.068 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc2ccccc2o1 ZINC000184146839 625205072 /nfs/dbraw/zinc/20/50/72/625205072.db2.gz UFXSEUJOBOOLQL-JTQLQIEISA-N 0 0 284.315 3.282 20 10 CGCDRN C[C@H](Nc1cnn(CC2CC2)c1)c1cc(F)ccc1O ZINC000186358744 625795178 /nfs/dbraw/zinc/79/51/78/625795178.db2.gz HGZYMASLEQWYKZ-JTQLQIEISA-N 0 0 275.327 3.311 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc(C)c1 ZINC000186448958 625850776 /nfs/dbraw/zinc/85/07/76/625850776.db2.gz SBKIFUPFSHWDOK-BQYQJAHWSA-N 0 0 272.373 3.436 20 10 CGCDRN CCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000020816254 626055058 /nfs/dbraw/zinc/05/50/58/626055058.db2.gz GAHZZIMAHYBMHW-UHFFFAOYSA-N 0 0 274.339 3.373 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(C)cc1O ZINC000840815673 626248588 /nfs/dbraw/zinc/24/85/88/626248588.db2.gz OWCYTSVABOWQTQ-TZMCWYRMSA-N 0 0 273.380 3.236 20 10 CGCDRN CCC1(C)C[NH+](Cc2cccc(Br)c2[O-])C1 ZINC000839143345 626323267 /nfs/dbraw/zinc/32/32/67/626323267.db2.gz PJVPDBCHVZDKNT-UHFFFAOYSA-N 0 0 284.197 3.387 20 10 CGCDRN COc1ccc(N(C)CCC2(O)CCC2)cc1Cl ZINC000839503610 626356856 /nfs/dbraw/zinc/35/68/56/626356856.db2.gz SGDRIWOXKIVOBI-UHFFFAOYSA-N 0 0 269.772 3.090 20 10 CGCDRN CSCCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530386 626361243 /nfs/dbraw/zinc/36/12/43/626361243.db2.gz IWLHANZMCUGDAI-JTQLQIEISA-N 0 0 257.374 3.325 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCSC2(CCCCC2)C1 ZINC000751069710 626376032 /nfs/dbraw/zinc/37/60/32/626376032.db2.gz IEZNNPPVPMYMNG-UHFFFAOYSA-N 0 0 297.445 3.346 20 10 CGCDRN CC(C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751306817 626384499 /nfs/dbraw/zinc/38/44/99/626384499.db2.gz YTEJRYHCGLIWSB-UHFFFAOYSA-N 0 0 294.358 3.381 20 10 CGCDRN CC(C)[C@H](CNC(=O)C1=CC(=O)CS1)c1cccnc1 ZINC000751405781 626389101 /nfs/dbraw/zinc/38/91/01/626389101.db2.gz MBEDXFAPZDRORP-ZDUSSCGKSA-N 0 0 290.388 3.018 20 10 CGCDRN COc1ncc(CSc2nccs2)cc1Cl ZINC000751774558 626404834 /nfs/dbraw/zinc/40/48/34/626404834.db2.gz PQMDFEIVFCUVLK-UHFFFAOYSA-N 0 0 272.782 3.492 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C23CCC(CC2)C3)c1 ZINC000752595215 626433355 /nfs/dbraw/zinc/43/33/55/626433355.db2.gz CKIGZLATLUQTIY-ZBFVHZJFSA-N 0 0 289.375 3.158 20 10 CGCDRN CC[C@H](C)CCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000752597755 626433922 /nfs/dbraw/zinc/43/39/22/626433922.db2.gz YMWJQMZJYUEMMC-ZDUSSCGKSA-N 0 0 293.407 3.363 20 10 CGCDRN COc1ccc(O)c(CNc2ccc3c(c2)C[C@H](OC)C3)c1 ZINC000753574038 626456068 /nfs/dbraw/zinc/45/60/68/626456068.db2.gz AAEMESIDDLOUTL-QGZVFWFLSA-N 0 0 299.370 3.127 20 10 CGCDRN C[C@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000753594858 626457623 /nfs/dbraw/zinc/45/76/23/626457623.db2.gz IDLSUJDMZVRHKJ-CABCVRRESA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@@H]1CC/C(=C\C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000753601942 626458092 /nfs/dbraw/zinc/45/80/92/626458092.db2.gz YLXOMGYHNRULLK-GMCKNXKJSA-N 0 0 290.382 3.254 20 10 CGCDRN C[C@H]1CC/C(=C\C(=O)NCCCSc2nccs2)C1 ZINC000753605333 626458388 /nfs/dbraw/zinc/45/83/88/626458388.db2.gz HTRJDSXOEHMATF-OCUQMRJBSA-N 0 0 296.461 3.488 20 10 CGCDRN CCN1C(=O)/C(=C/c2cc(F)cc(F)c2)SC1=S ZINC000755401419 626621257 /nfs/dbraw/zinc/62/12/57/626621257.db2.gz ALMLCLPUQAPAOX-YHYXMXQVSA-N 0 0 285.340 3.186 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)c(C)s2)cc1OC ZINC000756036687 626671075 /nfs/dbraw/zinc/67/10/75/626671075.db2.gz YACGDICGKRBJFI-UHFFFAOYSA-N 0 0 292.404 3.414 20 10 CGCDRN C[C@H](CCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000756299464 626690121 /nfs/dbraw/zinc/69/01/21/626690121.db2.gz ZKOHRBIJBFPGQD-KGLIPLIRSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@H](CCC[C@@H](C)C(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000756299466 626690285 /nfs/dbraw/zinc/69/02/85/626690285.db2.gz ZKOHRBIJBFPGQD-ZIAGYGMSSA-N 0 0 292.423 3.122 20 10 CGCDRN CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756454141 626707194 /nfs/dbraw/zinc/70/71/94/626707194.db2.gz KBEPGNQTGZXFKB-GARJFASQSA-N 0 0 266.341 3.386 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1[O-] ZINC000756514509 626711392 /nfs/dbraw/zinc/71/13/92/626711392.db2.gz HWZPJNPHEJJGJA-NSHDSACASA-N 0 0 287.334 3.317 20 10 CGCDRN CSCC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756586954 626718791 /nfs/dbraw/zinc/71/87/91/626718791.db2.gz XHXLWBNXQDBADX-UWVGGRQHSA-N 0 0 284.381 3.093 20 10 CGCDRN CN(C[C@@H]1CC1(Cl)Cl)c1ccc2c(c1)OCO2 ZINC000756653615 626724586 /nfs/dbraw/zinc/72/45/86/626724586.db2.gz MEZICAUXYIBKMW-QMMMGPOBSA-N 0 0 274.147 3.045 20 10 CGCDRN CCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000756650648 626724708 /nfs/dbraw/zinc/72/47/08/626724708.db2.gz ZBWAIFLUJGAOHQ-LBPRGKRZSA-N 0 0 291.391 3.410 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C(C)C)CC2)c1 ZINC000756748090 626729460 /nfs/dbraw/zinc/72/94/60/626729460.db2.gz WCHLQXAEULLSDM-LBPRGKRZSA-N 0 0 291.391 3.266 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756763069 626730088 /nfs/dbraw/zinc/73/00/88/626730088.db2.gz YIIZFWDKMBJOOB-KOLCDFICSA-N 0 0 287.350 3.118 20 10 CGCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756785272 626732010 /nfs/dbraw/zinc/73/20/10/626732010.db2.gz CFBFJEFINCNXJY-NLRBGTRBSA-N 0 0 293.382 3.484 20 10 CGCDRN CCCCCCO[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000839541478 626760872 /nfs/dbraw/zinc/76/08/72/626760872.db2.gz FIZAKFTZXGMYEX-AWEZNQCLSA-N 0 0 293.407 3.336 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1cc(C)ccn1)CCC2 ZINC000839656874 626770859 /nfs/dbraw/zinc/77/08/59/626770859.db2.gz WATJTAXZGMAGQO-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN Cc1cc(C)cc(NC(=O)COc2ccc(N(C)C)cc2)c1 ZINC000757705834 626802385 /nfs/dbraw/zinc/80/23/85/626802385.db2.gz YZYWHUGTQJJDDM-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CCC2 ZINC000759762713 626920094 /nfs/dbraw/zinc/92/00/94/626920094.db2.gz VSWSZBNVBOSBRC-MRXNPFEDSA-N 0 0 286.419 3.291 20 10 CGCDRN O=C(Nc1cccc(OCCF)c1)C1=CC(=O)CS1 ZINC000760150468 626942090 /nfs/dbraw/zinc/94/20/90/626942090.db2.gz QTVORCLQMWNESW-UHFFFAOYSA-N 0 0 281.308 3.054 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C3CC3)o2)cc1F ZINC000760846950 626996631 /nfs/dbraw/zinc/99/66/31/626996631.db2.gz JQUUIBSKXZUBAN-UHFFFAOYSA-N 0 0 276.311 3.336 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccoc2)cc1 ZINC000761864388 627068316 /nfs/dbraw/zinc/06/83/16/627068316.db2.gz CGGFVYBXZFGFEW-UHFFFAOYSA-N 0 0 286.375 3.398 20 10 CGCDRN Cc1ccc(C)c(NC(=S)NCc2ccc(F)cn2)c1 ZINC000763164681 627142483 /nfs/dbraw/zinc/14/24/83/627142483.db2.gz FFYHKHMQKXUALX-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ccc(F)cn2)c1 ZINC000763167845 627143229 /nfs/dbraw/zinc/14/32/29/627143229.db2.gz VTARQWMDAVPAPK-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CC(C)C1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000763655696 627172656 /nfs/dbraw/zinc/17/26/56/627172656.db2.gz ZIEHAGOXPUATMM-UHFFFAOYSA-N 0 0 290.407 3.406 20 10 CGCDRN O=C(CCC1CCCC1)COC(=O)C1=CC(=O)CS1 ZINC000764542288 627211351 /nfs/dbraw/zinc/21/13/51/627211351.db2.gz GICMWULYLLJQBI-UHFFFAOYSA-N 0 0 282.361 3.150 20 10 CGCDRN Clc1cnc(Sc2nccn2C2CC2)s1 ZINC000765002806 627235818 /nfs/dbraw/zinc/23/58/18/627235818.db2.gz WXOHBDYRVAGOQZ-UHFFFAOYSA-N 0 0 257.771 3.479 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)nc2)cc1OC ZINC000765652301 627265288 /nfs/dbraw/zinc/26/52/88/627265288.db2.gz MKMCAZOOKSJBOD-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCCc1cnn(C)c1 ZINC000766267311 627308240 /nfs/dbraw/zinc/30/82/40/627308240.db2.gz BNXJQIZJQGIHAV-UHFFFAOYSA-N 0 0 299.418 3.204 20 10 CGCDRN COc1ccnc(CN2CCCCc3cc(OC)ccc32)c1 ZINC000766271194 627309226 /nfs/dbraw/zinc/30/92/26/627309226.db2.gz XQBXXESUOKXJID-UHFFFAOYSA-N 0 0 298.386 3.442 20 10 CGCDRN Cc1ccc(C(=O)N(C)C[C@@H](C)C(C)(C)C)c(O)c1O ZINC000874592001 634567973 /nfs/dbraw/zinc/56/79/73/634567973.db2.gz LTWMHQFXKQGVFJ-LLVKDONJSA-N 0 0 279.380 3.160 20 10 CGCDRN CCOc1ccc(C[N@H+](C)Cc2ccsc2)c(O)c1 ZINC000768202854 627467792 /nfs/dbraw/zinc/46/77/92/627467792.db2.gz BOMXQXXTUNJVQU-UHFFFAOYSA-N 0 0 277.389 3.484 20 10 CGCDRN CCOc1ccc(N(C)Cc2cncc(F)c2)cc1 ZINC000768518843 627483165 /nfs/dbraw/zinc/48/31/65/627483165.db2.gz GSRXHOKXOUXNHC-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN COCC[N@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000768578571 627487132 /nfs/dbraw/zinc/48/71/32/627487132.db2.gz MGIGIWYBEQZZKP-UHFFFAOYSA-N 0 0 283.799 3.437 20 10 CGCDRN CCOc1ccc(C[N@H+](C)Cc2ccoc2)c(O)c1 ZINC000769004093 627515469 /nfs/dbraw/zinc/51/54/69/627515469.db2.gz JBPLAMMBUMSDIO-UHFFFAOYSA-N 0 0 261.321 3.016 20 10 CGCDRN CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769008074 627515999 /nfs/dbraw/zinc/51/59/99/627515999.db2.gz NIGDDLQBCPTHNY-LLVKDONJSA-N 0 0 284.743 3.328 20 10 CGCDRN CCC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773007727 627840827 /nfs/dbraw/zinc/84/08/27/627840827.db2.gz ITZXWKATATYWNZ-LBPRGKRZSA-N 0 0 262.397 3.366 20 10 CGCDRN C[C@H](NC(=O)Cc1cccs1)c1ccc(N(C)C)cc1 ZINC000773010254 627841363 /nfs/dbraw/zinc/84/13/63/627841363.db2.gz SIPFRERBXYMDOE-LBPRGKRZSA-N 0 0 288.416 3.234 20 10 CGCDRN CCC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773364659 627876229 /nfs/dbraw/zinc/87/62/29/627876229.db2.gz QLVRCNNGHLDSSP-CYBMUJFWSA-N 0 0 289.423 3.303 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000773412506 627881434 /nfs/dbraw/zinc/88/14/34/627881434.db2.gz CNROIAXCYXACTM-OLZOCXBDSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@H](NC(=O)N1C[C@H](C)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773621663 627900933 /nfs/dbraw/zinc/90/09/33/627900933.db2.gz ZYVPGSCYKOELDD-MCIONIFRSA-N 0 0 289.423 3.254 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CC(C)(C)C ZINC000773757524 627912434 /nfs/dbraw/zinc/91/24/34/627912434.db2.gz UKHXLUBFUXVWGU-RYUDHWBXSA-N 0 0 293.407 3.217 20 10 CGCDRN COc1ccc(O)c([C@H](C)NCc2ncc(C3CC3)o2)c1 ZINC000775372181 628086775 /nfs/dbraw/zinc/08/67/75/628086775.db2.gz ZZLATOYGPVSBAD-JTQLQIEISA-N 0 0 288.347 3.117 20 10 CGCDRN COc1cc2c(cc1F)ncnc2NCc1ccccc1O ZINC000775460092 628097558 /nfs/dbraw/zinc/09/75/58/628097558.db2.gz PCIAQIRLWCLGBK-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCCO1 ZINC000775661391 628121404 /nfs/dbraw/zinc/12/14/04/628121404.db2.gz NDTLLUNGIWGXHO-GFCCVEGCSA-N 0 0 287.762 3.186 20 10 CGCDRN CO[C@@H](C)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC000775713577 628128746 /nfs/dbraw/zinc/12/87/46/628128746.db2.gz JTGBQAMXCKVRSW-JTQLQIEISA-N 0 0 289.778 3.430 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(N2CCCC2)cn1 ZINC000776036751 628160080 /nfs/dbraw/zinc/16/00/80/628160080.db2.gz UKBAFILZCJJJNQ-UHFFFAOYSA-N 0 0 299.374 3.008 20 10 CGCDRN CC[C@@H](C)n1nc(NC(=O)C2=CC(=O)CS2)cc1C ZINC000776248124 628183964 /nfs/dbraw/zinc/18/39/64/628183964.db2.gz KAEOEUAJMORLAX-MRVPVSSYSA-N 0 0 279.365 3.182 20 10 CGCDRN CCOc1cccc(NCc2cccc(C)c2O)n1 ZINC000776251241 628184531 /nfs/dbraw/zinc/18/45/31/628184531.db2.gz RVZOILSCSMSGJA-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN C[C@H](NC(=O)c1coc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000776932663 628240017 /nfs/dbraw/zinc/24/00/17/628240017.db2.gz XGXKWECBMKIBLY-NSHDSACASA-N 0 0 299.374 3.109 20 10 CGCDRN CCOc1ccc(CNc2nnc(C(C)C)s2)c(O)c1 ZINC000777512172 628277351 /nfs/dbraw/zinc/27/73/51/628277351.db2.gz VLBWCNCVZZNVHI-UHFFFAOYSA-N 0 0 293.392 3.378 20 10 CGCDRN CN(Cc1ccc(F)cc1F)Cc1cc(F)ccc1O ZINC000778994813 628381924 /nfs/dbraw/zinc/38/19/24/628381924.db2.gz NHJIOUCNBHGARY-UHFFFAOYSA-N 0 0 281.277 3.442 20 10 CGCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000779432153 628413017 /nfs/dbraw/zinc/41/30/17/628413017.db2.gz LWWFKQKMIRTPAR-GXTWGEPZSA-N 0 0 297.826 3.275 20 10 CGCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000779432156 628413387 /nfs/dbraw/zinc/41/33/87/628413387.db2.gz LWWFKQKMIRTPAR-TZMCWYRMSA-N 0 0 297.826 3.275 20 10 CGCDRN CN(Cc1c(F)cccc1F)c1ccc2c(c1)OCO2 ZINC000780303172 628480922 /nfs/dbraw/zinc/48/09/22/628480922.db2.gz WBCBHNWJQDXXJG-UHFFFAOYSA-N 0 0 277.270 3.330 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000780538307 628496922 /nfs/dbraw/zinc/49/69/22/628496922.db2.gz NNKRGZXQGKRBLS-GHMZBOCLSA-N 0 0 299.465 3.113 20 10 CGCDRN CC(C)(CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000780587916 628502994 /nfs/dbraw/zinc/50/29/94/628502994.db2.gz SKKUQLAZRLGBIZ-UHFFFAOYSA-N 0 0 292.257 3.121 20 10 CGCDRN CC[C@@H]1C[C@@H](CN(C)c2ccc3c(c2)OCO3)CCO1 ZINC000780778727 628516631 /nfs/dbraw/zinc/51/66/31/628516631.db2.gz QORYESDHJYOWAQ-GXTWGEPZSA-N 0 0 277.364 3.057 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)ccc2O)cc1Cl ZINC000780778838 628516773 /nfs/dbraw/zinc/51/67/73/628516773.db2.gz UGKZXYCBHVGWNJ-UHFFFAOYSA-N 0 0 292.766 3.394 20 10 CGCDRN CC[C@@H]1C[C@H](CN(C)c2ccc(OC)c(F)c2)CCO1 ZINC000780779687 628516901 /nfs/dbraw/zinc/51/69/01/628516901.db2.gz UBNCHVVPESUPAC-TZMCWYRMSA-N 0 0 281.371 3.476 20 10 CGCDRN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000780946707 628525662 /nfs/dbraw/zinc/52/56/62/628525662.db2.gz FMPLANXWZDRJDV-BXUZGUMPSA-N 0 0 291.391 3.447 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCC(C)(C)C2)cc1F ZINC000781619953 628580608 /nfs/dbraw/zinc/58/06/08/628580608.db2.gz WLXYXYMHZHLFRN-ZDUSSCGKSA-N 0 0 292.398 3.334 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875122580 634677820 /nfs/dbraw/zinc/67/78/20/634677820.db2.gz NPIFEANLGBNUTR-ZDUSSCGKSA-N 0 0 296.370 3.487 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCCS1 ZINC000783588682 628729531 /nfs/dbraw/zinc/72/95/31/628729531.db2.gz IPDKSHWHYHFXFO-OAHLLOKOSA-N 0 0 293.432 3.417 20 10 CGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1ccccc1[N+](=O)[O-] ZINC000783607045 628731057 /nfs/dbraw/zinc/73/10/57/628731057.db2.gz DMVUQUNUZFJJEL-MRVPVSSYSA-N 0 0 293.300 3.280 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1CCCc2ccccc21 ZINC000783681714 628739183 /nfs/dbraw/zinc/73/91/83/628739183.db2.gz KGJNXNXUNYUVRJ-HJWRWDBZSA-N 0 0 278.355 3.383 20 10 CGCDRN COc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783737018 628743990 /nfs/dbraw/zinc/74/39/90/628743990.db2.gz IDYZGGMERJROPX-DCAQKATOSA-N 0 0 299.798 3.052 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccccc1OC ZINC000783894410 628755969 /nfs/dbraw/zinc/75/59/69/628755969.db2.gz VPJUNIGLSPRSLO-KTKRTIGZSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cnccc1C)CC2 ZINC000783940917 628758637 /nfs/dbraw/zinc/75/86/37/628758637.db2.gz HMWIKAULPBRPBC-WAYWQWQTSA-N 0 0 278.355 3.301 20 10 CGCDRN Cc1cccc2c1CCN2C(=O)/C=C/c1cnccc1C ZINC000783940988 628758910 /nfs/dbraw/zinc/75/89/10/628758910.db2.gz ILTACQLQRBJPOE-VOTSOKGWSA-N 0 0 278.355 3.301 20 10 CGCDRN CCc1nnc(CN(C)c2ccc(OC)c(Cl)c2)s1 ZINC000784165224 628790041 /nfs/dbraw/zinc/79/00/41/628790041.db2.gz MLJQVANYIJZBKR-UHFFFAOYSA-N 0 0 297.811 3.399 20 10 CGCDRN CCN(C[C@H]1CCO[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000785727086 628882439 /nfs/dbraw/zinc/88/24/39/628882439.db2.gz FLTUGEHALSARKA-KBPBESRZSA-N 0 0 293.407 3.345 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2O)CC1 ZINC000785864390 628892184 /nfs/dbraw/zinc/89/21/84/628892184.db2.gz KTUBGUJYYQPNTB-OCCSQVGLSA-N 0 0 276.380 3.160 20 10 CGCDRN Cc1ccncc1[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000875447700 634700193 /nfs/dbraw/zinc/70/01/93/634700193.db2.gz KEUVGOSPIRLUJE-OLZOCXBDSA-N 0 0 299.374 3.217 20 10 CGCDRN CCC(O)(CC)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000788260555 629043536 /nfs/dbraw/zinc/04/35/36/629043536.db2.gz CGXSHKJJUOKGJR-SNVBAGLBSA-N 0 0 287.350 3.262 20 10 CGCDRN CCC(O)(CC)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000788272915 629044642 /nfs/dbraw/zinc/04/46/42/629044642.db2.gz DZJRJGRBQPSDFU-UHFFFAOYSA-N 0 0 289.778 3.216 20 10 CGCDRN C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788796288 629082402 /nfs/dbraw/zinc/08/24/02/629082402.db2.gz FBCOTCWYARCWBF-ZJUUUORDSA-N 0 0 291.313 3.223 20 10 CGCDRN COc1cc(C)cc(CN(CC(C)(C)C)OC)c1O ZINC000789514569 629141553 /nfs/dbraw/zinc/14/15/53/629141553.db2.gz FWLLHVIVMVOWND-UHFFFAOYSA-N 0 0 267.369 3.119 20 10 CGCDRN OCCN(Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000789571317 629145087 /nfs/dbraw/zinc/14/50/87/629145087.db2.gz MSSSIXUKDGQCSQ-UHFFFAOYSA-N 0 0 295.741 3.184 20 10 CGCDRN Cc1cc(C(=O)OCC2(F)CC2)c(C)n1-c1ccccn1 ZINC000789592988 629149125 /nfs/dbraw/zinc/14/91/25/629149125.db2.gz RFWMQHJTKAHQAW-UHFFFAOYSA-N 0 0 288.322 3.148 20 10 CGCDRN CO[C@@H]1CCOc2c(NCc3ccccc3O)cccc21 ZINC000790486442 629212897 /nfs/dbraw/zinc/21/28/97/629212897.db2.gz OMKJEKVMFVVJSI-MRXNPFEDSA-N 0 0 285.343 3.474 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCSC1 ZINC000790926629 629241299 /nfs/dbraw/zinc/24/12/99/629241299.db2.gz ONAWVEHGBZPUSL-MRVPVSSYSA-N 0 0 275.776 3.027 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CCCC1 ZINC000790950098 629242829 /nfs/dbraw/zinc/24/28/29/629242829.db2.gz VBWPYLKMTFWTKB-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976847 629245324 /nfs/dbraw/zinc/24/53/24/629245324.db2.gz MYAOVKWAADHXFR-VHSXEESVSA-N 0 0 287.762 3.089 20 10 CGCDRN Cc1cnccc1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790983283 629246304 /nfs/dbraw/zinc/24/63/04/629246304.db2.gz PUVNDTUFUMPQHT-UHFFFAOYSA-N 0 0 294.757 3.220 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2[C@H](C)C[C@@H]2C)c1O ZINC000791567639 629289336 /nfs/dbraw/zinc/28/93/36/629289336.db2.gz TWKAMDWJJNBJAV-DTORHVGOSA-N 0 0 267.756 3.231 20 10 CGCDRN C[C@H]1C[C@H](C)[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792166871 629342432 /nfs/dbraw/zinc/34/24/32/629342432.db2.gz UVEWYSSFBCZNIK-IUCAKERBSA-N 0 0 257.736 3.415 20 10 CGCDRN CSc1cc(C(=O)NCc2cc(C)ccc2O)c(C)o1 ZINC000862753839 629428854 /nfs/dbraw/zinc/42/88/54/629428854.db2.gz IPMKIZIRBPJYJE-UHFFFAOYSA-N 0 0 291.372 3.254 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000862755707 629429835 /nfs/dbraw/zinc/42/98/35/629429835.db2.gz KBHDLAHBNPBJTR-FSPWUOQZSA-N 0 0 295.382 3.367 20 10 CGCDRN CCCC1(C(=O)NCc2cc(C)ccc2O)CCC1 ZINC000862758237 629430979 /nfs/dbraw/zinc/43/09/79/629430979.db2.gz UCRZGELJIMOQAA-UHFFFAOYSA-N 0 0 261.365 3.287 20 10 CGCDRN CCOCc1cc(CNC(C)(C)C(F)F)ccc1OC ZINC000793253669 629436310 /nfs/dbraw/zinc/43/63/10/629436310.db2.gz DZVHAZKYQXBVTR-UHFFFAOYSA-N 0 0 287.350 3.365 20 10 CGCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCC(C)(C)C1 ZINC000794274664 629528159 /nfs/dbraw/zinc/52/81/59/629528159.db2.gz MJMDQKIJGVQXCZ-VGVVRCBHSA-N 0 0 289.375 3.148 20 10 CGCDRN COc1cccc2c1CN(Cc1cc(OC)c(C)cc1O)C2 ZINC000863320818 629533065 /nfs/dbraw/zinc/53/30/65/629533065.db2.gz GTMFDBTUNLFCDS-UHFFFAOYSA-N 0 0 299.370 3.234 20 10 CGCDRN COC(=O)c1cnc(SCCC(F)=C(F)F)s1 ZINC000863340391 629535901 /nfs/dbraw/zinc/53/59/01/629535901.db2.gz KNTLLEMPQKQCDP-UHFFFAOYSA-N 0 0 283.296 3.490 20 10 CGCDRN Cc1cccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000794827905 629583460 /nfs/dbraw/zinc/58/34/60/629583460.db2.gz LTVMJDYDBTYBME-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN CN(Cc1noc(C2CCCCC2)n1)c1ccc(N)cc1 ZINC000863558632 629606221 /nfs/dbraw/zinc/60/62/21/629606221.db2.gz QGEYCPCHKFIGPA-UHFFFAOYSA-N 0 0 286.379 3.336 20 10 CGCDRN CC(=O)Nc1cccc(CNc2ccc3c(c2)ncn3C)c1 ZINC000864015644 629727302 /nfs/dbraw/zinc/72/73/02/629727302.db2.gz BHGWWOWRFKPWPS-UHFFFAOYSA-N 0 0 294.358 3.144 20 10 CGCDRN CCC(C)(C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875979670 634759947 /nfs/dbraw/zinc/75/99/47/634759947.db2.gz BRRYVMOSBLZPLW-UHFFFAOYSA-N 0 0 276.380 3.244 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(F)c([C@@H](C)O)c1 ZINC000796521560 629793897 /nfs/dbraw/zinc/79/38/97/629793897.db2.gz JZBIZAMOZJCWEO-SNVBAGLBSA-N 0 0 291.322 3.205 20 10 CGCDRN CC[C@H]([NH2+]CCN(CC)C(C)C)c1ccc(F)cc1[O-] ZINC000796746255 629825013 /nfs/dbraw/zinc/82/50/13/629825013.db2.gz RACOYUMUKLMFSC-HNNXBMFYSA-N 0 0 282.403 3.302 20 10 CGCDRN CC[C@H]([NH2+][C@@H](COC)C(C)C)c1ccc(F)cc1[O-] ZINC000796789533 629835165 /nfs/dbraw/zinc/83/51/65/629835165.db2.gz VFKJXQOGAKPLBE-KBPBESRZSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1[O-] ZINC000796837681 629844987 /nfs/dbraw/zinc/84/49/87/629844987.db2.gz RAROQRWZTDEEDJ-ZDUSSCGKSA-N 0 0 278.302 3.306 20 10 CGCDRN CC[C@@H]([NH2+]CCOCC1CCC1)c1ccc(F)cc1[O-] ZINC000796940869 629862204 /nfs/dbraw/zinc/86/22/04/629862204.db2.gz JEMDYSDXQHVRPM-OAHLLOKOSA-N 0 0 281.371 3.389 20 10 CGCDRN CC/C=C(\F)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000865027322 629991853 /nfs/dbraw/zinc/99/18/53/629991853.db2.gz MKPYPTGVRIJPAL-CHHVJCJISA-N 0 0 278.371 3.365 20 10 CGCDRN CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000797932378 630003316 /nfs/dbraw/zinc/00/33/16/630003316.db2.gz ZKTGWDZFBRKCHA-KRWDZBQOSA-N 0 0 298.386 3.185 20 10 CGCDRN C[C@@H](NC(=S)N[C@@H]1CCCC[C@H]1C)c1ccccc1O ZINC000865269191 630041300 /nfs/dbraw/zinc/04/13/00/630041300.db2.gz CJQPTXLSTJQSFO-YRGRVCCFSA-N 0 0 292.448 3.496 20 10 CGCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000799037368 630134225 /nfs/dbraw/zinc/13/42/25/630134225.db2.gz UNOIISNEELBVAT-JOCQHMNTSA-N 0 0 297.354 3.082 20 10 CGCDRN COc1ccc(O)c(CNc2nc(C)cc(C(C)C)n2)c1 ZINC000865538141 630176332 /nfs/dbraw/zinc/17/63/32/630176332.db2.gz HLWZRVOFIIEPQU-UHFFFAOYSA-N 0 0 287.363 3.235 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])s1 ZINC000799938261 630244923 /nfs/dbraw/zinc/24/49/23/630244923.db2.gz SVCOLJVIWHPCTE-UHFFFAOYSA-N 0 0 292.364 3.038 20 10 CGCDRN Cc1noc2ncnc(N[C@@H](C)c3ccc(N(C)C)cc3)c12 ZINC000799952096 630246220 /nfs/dbraw/zinc/24/62/20/630246220.db2.gz FVADDEPDXHPYAF-JTQLQIEISA-N 0 0 297.362 3.165 20 10 CGCDRN O=C(N[C@H]1Cc2ccc(Cl)cc2C1)C1=CC(=O)CS1 ZINC000800696145 630295747 /nfs/dbraw/zinc/29/57/47/630295747.db2.gz ZCTAUVPNAHSGRK-NSHDSACASA-N 0 0 293.775 3.004 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C)CCC1 ZINC000839920520 630296673 /nfs/dbraw/zinc/29/66/73/630296673.db2.gz QIZNWPUZFXDRKL-CQSZACIVSA-N 0 0 288.435 3.298 20 10 CGCDRN CCC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000839920305 630296943 /nfs/dbraw/zinc/29/69/43/630296943.db2.gz PEGHEHFDRADVJH-CQSZACIVSA-N 0 0 288.435 3.298 20 10 CGCDRN COc1ccc(N(C)CCSC(C)C)cc1F ZINC000801520626 630340134 /nfs/dbraw/zinc/34/01/34/630340134.db2.gz IJHNBPWTUANNAT-UHFFFAOYSA-N 0 0 257.374 3.412 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)COC ZINC000801551318 630343171 /nfs/dbraw/zinc/34/31/71/630343171.db2.gz LERHGLCZHUTJCW-AWEZNQCLSA-N 0 0 293.407 3.194 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(OC(F)F)nc2)c1 ZINC000801737815 630354175 /nfs/dbraw/zinc/35/41/75/630354175.db2.gz CHWJDCFJHUMQIB-UHFFFAOYSA-N 0 0 280.274 3.309 20 10 CGCDRN Cc1ccc(O)c(CN2CCc3cc(F)ccc32)c1 ZINC000802657974 630403968 /nfs/dbraw/zinc/40/39/68/630403968.db2.gz XQILWWPHDHDNIP-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN CCC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC000836870720 634819556 /nfs/dbraw/zinc/81/95/56/634819556.db2.gz APSHVDBARQFJNN-VQHVLOKHSA-N 0 0 289.375 3.340 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncc(SC)cn1 ZINC000804561589 630537549 /nfs/dbraw/zinc/53/75/49/630537549.db2.gz LWALMSMOAXFRSD-UHFFFAOYSA-N 0 0 289.404 3.321 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(Cl)c1[O-] ZINC000806152201 630548360 /nfs/dbraw/zinc/54/83/60/630548360.db2.gz VDMZJRRDZRWXCR-JOYOIKCWSA-N 0 0 271.788 3.246 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccon1)c1cccc(Cl)c1[O-] ZINC000806143061 630548426 /nfs/dbraw/zinc/54/84/26/630548426.db2.gz SEWODSRCPSMSBI-LBPRGKRZSA-N 0 0 266.728 3.275 20 10 CGCDRN CC[C@H]([NH2+]CC1(CO)CCC1)c1cccc(Cl)c1[O-] ZINC000806157303 630550837 /nfs/dbraw/zinc/55/08/37/630550837.db2.gz DOMVKKQLGXXSCL-ZDUSSCGKSA-N 0 0 283.799 3.249 20 10 CGCDRN O=C(NC(C1CCC1)C1CCC1)C1=CC(=O)CS1 ZINC000807736497 630598016 /nfs/dbraw/zinc/59/80/16/630598016.db2.gz CEHYNCVLUUPLMA-UHFFFAOYSA-N 0 0 265.378 3.152 20 10 CGCDRN c1csc(SCc2cnnn2-c2ccccc2)n1 ZINC000808021974 630618628 /nfs/dbraw/zinc/61/86/28/630618628.db2.gz FZBUULRVLOWNRS-UHFFFAOYSA-N 0 0 274.374 3.016 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1[O-] ZINC000808778278 630677552 /nfs/dbraw/zinc/67/75/52/630677552.db2.gz QOKPFLJJPXGAQW-ZDUSSCGKSA-N 0 0 291.366 3.356 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C2(F)CCCCC2)cc1 ZINC000809966336 630823236 /nfs/dbraw/zinc/82/32/36/630823236.db2.gz YCOSPDQIZJIHSF-UHFFFAOYSA-N 0 0 292.398 3.383 20 10 CGCDRN Cc1cc([C@H](C)NCc2ccc(N(C)C)cc2C)no1 ZINC000810219703 630856184 /nfs/dbraw/zinc/85/61/84/630856184.db2.gz VSNIWTSEMCKTBZ-ZDUSSCGKSA-N 0 0 273.380 3.208 20 10 CGCDRN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810253736 630860548 /nfs/dbraw/zinc/86/05/48/630860548.db2.gz BODJNVHYYRIPOQ-GHMZBOCLSA-N 0 0 286.366 3.050 20 10 CGCDRN CCn1cc(CN2CCCCc3cc(OC)ccc32)cn1 ZINC000811508134 631076747 /nfs/dbraw/zinc/07/67/47/631076747.db2.gz BSBXMXTTXMZCIN-UHFFFAOYSA-N 0 0 285.391 3.255 20 10 CGCDRN Oc1ccc2c(c1CNc1nnc(C3CC3)o1)CCCC2 ZINC000811808440 631121718 /nfs/dbraw/zinc/12/17/18/631121718.db2.gz JGJUPSREZSOEFA-UHFFFAOYSA-N 0 0 285.347 3.144 20 10 CGCDRN CC(=O)c1c(F)cccc1NCCc1ccc(O)c(O)c1 ZINC000811810813 631121818 /nfs/dbraw/zinc/12/18/18/631121818.db2.gz DGVDXASFEBMJMG-UHFFFAOYSA-N 0 0 289.306 3.094 20 10 CGCDRN CCCc1nsc(NCc2ccc(N(C)C)cc2)n1 ZINC000812453761 631262487 /nfs/dbraw/zinc/26/24/87/631262487.db2.gz SVCVKDMDHOHDRG-UHFFFAOYSA-N 0 0 276.409 3.169 20 10 CGCDRN Oc1ccccc1CN1CCn2c(cc3ccccc32)C1 ZINC000812800366 631315504 /nfs/dbraw/zinc/31/55/04/631315504.db2.gz RRKQVCPFYJMRPH-UHFFFAOYSA-N 0 0 278.355 3.363 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CCc2sccc2C1 ZINC000876558721 634856732 /nfs/dbraw/zinc/85/67/32/634856732.db2.gz PJCQNQADIZGDOC-UHFFFAOYSA-N 0 0 281.327 3.290 20 10 CGCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccccc1O ZINC000813331210 631410544 /nfs/dbraw/zinc/41/05/44/631410544.db2.gz GUCDKNRBWOEYOP-UHFFFAOYSA-N 0 0 293.370 3.414 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CC(F)(F)C1 ZINC000813780706 631461284 /nfs/dbraw/zinc/46/12/84/631461284.db2.gz GPTRQLPBYQQKPK-UHFFFAOYSA-N 0 0 279.689 3.320 20 10 CGCDRN Cc1ccoc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000814172763 631538912 /nfs/dbraw/zinc/53/89/12/631538912.db2.gz BYCSJYAUYBLDRF-UHFFFAOYSA-N 0 0 269.703 3.376 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccnn1CC(C)C ZINC000843391131 635656602 /nfs/dbraw/zinc/65/66/02/635656602.db2.gz NMVADIIMJQJKDD-UHFFFAOYSA-N 0 0 285.391 3.110 20 10 CGCDRN C[C@H]1C[NH+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816513174 631999526 /nfs/dbraw/zinc/99/95/26/631999526.db2.gz IRXLRDMGNWSJTC-IUCAKERBSA-N 0 0 257.736 3.273 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816514096 632000784 /nfs/dbraw/zinc/00/07/84/632000784.db2.gz LXYMTUAVYXETBM-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816519991 632002800 /nfs/dbraw/zinc/00/28/00/632002800.db2.gz CBKIAPARQRZDEF-IUCAKERBSA-N 0 0 257.736 3.415 20 10 CGCDRN Cc1noc(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816539718 632005940 /nfs/dbraw/zinc/00/59/40/632005940.db2.gz QOZMPYFJZDVGOW-UHFFFAOYSA-N 0 0 284.718 3.079 20 10 CGCDRN C[C@H]1CSCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816591844 632018866 /nfs/dbraw/zinc/01/88/66/632018866.db2.gz PMXCBSKHRMPDDM-SECBINFHSA-N 0 0 289.803 3.370 20 10 CGCDRN CCC(O)(CC)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816590205 632019404 /nfs/dbraw/zinc/01/94/04/632019404.db2.gz TULYTLKMVIAMDS-UHFFFAOYSA-N 0 0 289.778 3.216 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816599623 632022048 /nfs/dbraw/zinc/02/20/48/632022048.db2.gz SVESNIUZYJVFSX-JSGCOSHPSA-N 0 0 287.762 3.232 20 10 CGCDRN COC1(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000816638394 632028293 /nfs/dbraw/zinc/02/82/93/632028293.db2.gz KNPYSXBKVTWCFK-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN O=C(NC[C@@H](c1ccccc1)C1CC1)c1cccc(O)c1O ZINC000817089002 632077420 /nfs/dbraw/zinc/07/74/20/632077420.db2.gz PBJNMNBULCJDFA-HNNXBMFYSA-N 0 0 297.354 3.021 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000817444758 632160206 /nfs/dbraw/zinc/16/02/06/632160206.db2.gz AIOMEMFOBUCZEX-LCGIIJARSA-N 0 0 286.419 3.366 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CC3(F)F)cc12 ZINC000817761957 632223606 /nfs/dbraw/zinc/22/36/06/632223606.db2.gz NLXBTSKYYCVWPS-LBPRGKRZSA-N 0 0 279.286 3.356 20 10 CGCDRN CC[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944566 632241870 /nfs/dbraw/zinc/24/18/70/632241870.db2.gz HAXOFCJCKMEDGQ-BXKDBHETSA-N 0 0 289.206 3.102 20 10 CGCDRN CCNCC[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951656 632247965 /nfs/dbraw/zinc/24/79/65/632247965.db2.gz IXGKBCYXUJGENF-NSHDSACASA-N 0 0 291.222 3.349 20 10 CGCDRN CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1[O-] ZINC000817958119 632253013 /nfs/dbraw/zinc/25/30/13/632253013.db2.gz SFGZDHJZLZUFHD-INIZCTEOSA-N 0 0 288.366 3.397 20 10 CGCDRN CC(C)(C)C1CC(NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000818141786 632291780 /nfs/dbraw/zinc/29/17/80/632291780.db2.gz DLWRCKNMNDFCAA-ALCCZGGFSA-N 0 0 289.375 3.052 20 10 CGCDRN C[C@H](Nc1ccc(COCCO)cc1)c1ccccc1O ZINC000818361056 632315090 /nfs/dbraw/zinc/31/50/90/632315090.db2.gz HEJCDZHFLDRMHO-ZDUSSCGKSA-N 0 0 287.359 3.074 20 10 CGCDRN CC1(C)CCC[C@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000818544775 632331944 /nfs/dbraw/zinc/33/19/44/632331944.db2.gz NJJUJIQRQHGFKT-AWEZNQCLSA-N 0 0 274.408 3.144 20 10 CGCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000819021174 632366289 /nfs/dbraw/zinc/36/62/89/632366289.db2.gz MTYJDPYOGKTDFV-BBRMVZONSA-N 0 0 274.408 3.195 20 10 CGCDRN Cc1ccc(C2CC2)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000819399944 632450431 /nfs/dbraw/zinc/45/04/31/632450431.db2.gz ZTBMHJSYZJQDQK-UHFFFAOYSA-N 0 0 297.354 3.214 20 10 CGCDRN CCCOc1ccccc1NC[C@@H](O)Cc1ccccc1 ZINC000819398459 632450937 /nfs/dbraw/zinc/45/09/37/632450937.db2.gz MOSKOVFVUZQUOR-INIZCTEOSA-N 0 0 285.387 3.491 20 10 CGCDRN C[C@@H]1CCCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820007781 632559469 /nfs/dbraw/zinc/55/94/69/632559469.db2.gz 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633831513 /nfs/dbraw/zinc/83/15/13/633831513.db2.gz MXNNLTOOPMDXFV-INIZCTEOSA-N 0 0 299.345 3.220 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2CCC[C@](C)(F)C2)c1O ZINC000830212808 633840560 /nfs/dbraw/zinc/84/05/60/633840560.db2.gz VLYGSWJMFSSLIQ-HNNXBMFYSA-N 0 0 283.318 3.058 20 10 CGCDRN CCCOc1ccc(C[NH2+]CCCCC(=O)[O-])cc1C ZINC000871878858 633908020 /nfs/dbraw/zinc/90/80/20/633908020.db2.gz UTRNXIQAYPMCMW-UHFFFAOYSA-N 0 0 279.380 3.128 20 10 CGCDRN CCc1nc(CN(CC2CC2)c2ccc(OC)cc2)no1 ZINC000831583470 633980426 /nfs/dbraw/zinc/98/04/26/633980426.db2.gz YWSNDIVEIWCSIX-UHFFFAOYSA-N 0 0 287.363 3.057 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000872126138 634047630 /nfs/dbraw/zinc/04/76/30/634047630.db2.gz KUFYQZZLGZPNCA-CIUDSAMLSA-N 0 0 290.190 3.121 20 10 CGCDRN CC1CCN(c2ccc(CNCc3ccon3)cc2)CC1 ZINC000873048323 634237231 /nfs/dbraw/zinc/23/72/31/634237231.db2.gz WTBYTXJOQLLMBL-UHFFFAOYSA-N 0 0 285.391 3.201 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(F)cc1[O-] 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CGCDRN Cc1ccc(CCCC(=O)NCc2ccc(N)cc2)cc1 ZINC000837303050 634881726 /nfs/dbraw/zinc/88/17/26/634881726.db2.gz RKYBGKRSLZCJHI-UHFFFAOYSA-N 0 0 282.387 3.216 20 10 CGCDRN CCc1ccc([C@H](C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000837303410 634882700 /nfs/dbraw/zinc/88/27/00/634882700.db2.gz MXNDCRSVZCBGAP-ZDUSSCGKSA-N 0 0 282.387 3.251 20 10 CGCDRN CC(C)COc1cccc(C(=O)NCc2ccc(N)cc2)c1 ZINC000837303399 634882960 /nfs/dbraw/zinc/88/29/60/634882960.db2.gz LLGHJVABBOCKDG-UHFFFAOYSA-N 0 0 298.386 3.234 20 10 CGCDRN CCCO[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876720167 634885806 /nfs/dbraw/zinc/88/58/06/634885806.db2.gz CNOSWKLHUNTNIB-CYBMUJFWSA-N 0 0 299.361 3.452 20 10 CGCDRN Cc1ccc(CN(C)Cc2nc3ccccc3n2C)c(O)c1 ZINC000876730029 634888571 /nfs/dbraw/zinc/88/85/71/634888571.db2.gz AONVGMVTHGSHIE-UHFFFAOYSA-N 0 0 295.386 3.219 20 10 CGCDRN Cc1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])n1 ZINC000876763507 634895408 /nfs/dbraw/zinc/89/54/08/634895408.db2.gz OZSQYGFPCCELHN-UHFFFAOYSA-N 0 0 278.302 3.006 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)C2CCC2)c1 ZINC000837486290 634918638 /nfs/dbraw/zinc/91/86/38/634918638.db2.gz XAPYGVKKMSHFQC-QWRGUYRKSA-N 0 0 277.364 3.014 20 10 CGCDRN C[C@@H](NC(=O)NCCCSc1nccs1)C1CCC1 ZINC000126252285 634935875 /nfs/dbraw/zinc/93/58/75/634935875.db2.gz DHHAULWTTHLGQW-SNVBAGLBSA-N 0 0 299.465 3.113 20 10 CGCDRN CCOc1ccccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876961897 634938426 /nfs/dbraw/zinc/93/84/26/634938426.db2.gz KNOCSGJVSGZNCE-UHFFFAOYSA-N 0 0 293.313 3.359 20 10 CGCDRN CCC(=CC(=O)NCc1ccc(N(C)C)c(F)c1)CC ZINC000126308812 634957205 /nfs/dbraw/zinc/95/72/05/634957205.db2.gz GHIGCFKIFHTBRP-UHFFFAOYSA-N 0 0 278.371 3.254 20 10 CGCDRN CN(C(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccc(N)cc1 ZINC000877074797 634972304 /nfs/dbraw/zinc/97/23/04/634972304.db2.gz SIUIWSXBZPKNBP-CABCVRRESA-N 0 0 258.365 3.058 20 10 CGCDRN CN(C(=O)CC[C@@H]1CC1(Cl)Cl)c1ccc(N)cc1 ZINC000877074172 634972478 /nfs/dbraw/zinc/97/24/78/634972478.db2.gz AYXJRXWEILPAIM-SECBINFHSA-N 0 0 287.190 3.206 20 10 CGCDRN [O-]c1c(C[NH2+][C@H](CCO)C2CCCCC2)ccc(F)c1F ZINC000877128806 634993271 /nfs/dbraw/zinc/99/32/71/634993271.db2.gz VRVYESFUJANNEV-CQSZACIVSA-N 0 0 299.361 3.091 20 10 CGCDRN CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877133460 634996545 /nfs/dbraw/zinc/99/65/45/634996545.db2.gz BNMOIPSLNSCNPA-SNVBAGLBSA-N 0 0 292.329 3.479 20 10 CGCDRN Cc1ccc(CNc2ccc(C(=O)NC(C)C)cc2)c(O)c1 ZINC000877170143 635005584 /nfs/dbraw/zinc/00/55/84/635005584.db2.gz JCZNJUNPKWTGCY-UHFFFAOYSA-N 0 0 298.386 3.451 20 10 CGCDRN COC(=O)CCc1ccc(NCc2c(C)cccc2O)cc1 ZINC000877169792 635005683 /nfs/dbraw/zinc/00/56/83/635005683.db2.gz GNCIBLSIWRVCIA-UHFFFAOYSA-N 0 0 299.370 3.418 20 10 CGCDRN CC/C(C)=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840556606 635022650 /nfs/dbraw/zinc/02/26/50/635022650.db2.gz WDARVBBAIFFGEC-VSKPTYQZSA-N 0 0 288.435 3.465 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/C1CC1 ZINC000840555864 635022853 /nfs/dbraw/zinc/02/28/53/635022853.db2.gz JKMNKKRFLLJZTI-DNGMOHDESA-N 0 0 286.419 3.074 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc(F)c1F ZINC000877425520 635038731 /nfs/dbraw/zinc/03/87/31/635038731.db2.gz CLWWPCSLFWYVPV-ZDUSSCGKSA-N 0 0 297.345 3.061 20 10 CGCDRN CCn1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC000877472463 635049815 /nfs/dbraw/zinc/04/98/15/635049815.db2.gz TXXKKQDVXGMRNX-UHFFFAOYSA-N 0 0 280.318 3.124 20 10 CGCDRN CCCOc1ccc(CN[C@@H](C)c2nc(C)no2)cc1C ZINC000877469840 635049929 /nfs/dbraw/zinc/04/99/29/635049929.db2.gz ADHOHRPOJMSWAM-LBPRGKRZSA-N 0 0 289.379 3.326 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840859686 635067643 /nfs/dbraw/zinc/06/76/43/635067643.db2.gz LKAGTKCXCVDOFU-WEDXCCLWSA-N 0 0 273.348 3.215 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000840859681 635067816 /nfs/dbraw/zinc/06/78/16/635067816.db2.gz LKAGTKCXCVDOFU-MRTMQBJTSA-N 0 0 273.348 3.215 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN(C)Cc1cscn1 ZINC000840911872 635081273 /nfs/dbraw/zinc/08/12/73/635081273.db2.gz BRVSDFGLCANWNJ-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN C[C@@]12CC[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]1C2(F)F ZINC000877543516 635081963 /nfs/dbraw/zinc/08/19/63/635081963.db2.gz HCYHRKAVOJJBSE-GXFFZTMASA-N 0 0 289.272 3.148 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2cccn2C)c(Cl)c1 ZINC000840918545 635082850 /nfs/dbraw/zinc/08/28/50/635082850.db2.gz VPMLRUFXQIMRBX-UHFFFAOYSA-N 0 0 278.783 3.325 20 10 CGCDRN Oc1cccc(Cl)c1CNCc1nnc(C2CC2)s1 ZINC000840973772 635098464 /nfs/dbraw/zinc/09/84/64/635098464.db2.gz UBUVSGXXNTWQOT-UHFFFAOYSA-N 0 0 295.795 3.064 20 10 CGCDRN C[C@H]1CC2(C[N@@H+]1Cc1ccc(F)c(F)c1[O-])CCOCC2 ZINC000877608051 635109487 /nfs/dbraw/zinc/10/94/87/635109487.db2.gz PLLGEVUACBAULM-NSHDSACASA-N 0 0 297.345 3.061 20 10 CGCDRN Nc1ccc(NCc2c(C3CC3)nc3sccn23)cc1 ZINC000841040604 635111990 /nfs/dbraw/zinc/11/19/90/635111990.db2.gz VCLFHINWJDTHPA-UHFFFAOYSA-N 0 0 284.388 3.468 20 10 CGCDRN CCN(CC)c1ncc(CNc2ccc(N)cc2)s1 ZINC000841040810 635112481 /nfs/dbraw/zinc/11/24/81/635112481.db2.gz ZKYSMFHZSZIBKK-UHFFFAOYSA-N 0 0 276.409 3.184 20 10 CGCDRN CCCCCN(CCCOC)C(=O)Nc1ccc(N)cc1 ZINC000841295599 635148613 /nfs/dbraw/zinc/14/86/13/635148613.db2.gz CISCLVNZANINQD-UHFFFAOYSA-N 0 0 293.411 3.329 20 10 CGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC(C)(C)C1 ZINC000841296784 635148787 /nfs/dbraw/zinc/14/87/87/635148787.db2.gz YUFWTFCCZKEVQF-NSHDSACASA-N 0 0 261.369 3.169 20 10 CGCDRN C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(N)cc3)C2)C1 ZINC000841296171 635148912 /nfs/dbraw/zinc/14/89/12/635148912.db2.gz POTUWEPUBLKBLC-MLGOLLRUSA-N 0 0 273.380 3.313 20 10 CGCDRN Nc1ccc(NC(=O)NCC2(C3CCC3)CCC2)cc1 ZINC000841297922 635149257 /nfs/dbraw/zinc/14/92/57/635149257.db2.gz LCNYNUPOFATSPE-UHFFFAOYSA-N 0 0 273.380 3.361 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(N)cc1 ZINC000841297902 635149895 /nfs/dbraw/zinc/14/98/95/635149895.db2.gz JZWQYLHYKPIBBH-GHMZBOCLSA-N 0 0 261.369 3.215 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000877700471 635151370 /nfs/dbraw/zinc/15/13/70/635151370.db2.gz ASHMADSTMHLEQT-CABCVRRESA-N 0 0 295.810 3.483 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)OCCCF)C2CC2)cc1 ZINC000841479417 635182632 /nfs/dbraw/zinc/18/26/32/635182632.db2.gz SRPJKNRVVFBZPG-UHFFFAOYSA-N 0 0 294.370 3.213 20 10 CGCDRN COCC(C)(C)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877805425 635207968 /nfs/dbraw/zinc/20/79/68/635207968.db2.gz NJKVNBCSCYNUFW-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN Cc1ccc([C@H](C)NC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841720277 635217462 /nfs/dbraw/zinc/21/74/62/635217462.db2.gz JJNVANJHTDTEOQ-AWEZNQCLSA-N 0 0 297.402 3.180 20 10 CGCDRN CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747404 635223829 /nfs/dbraw/zinc/22/38/29/635223829.db2.gz ASOJBCWYMCYUQT-ZYHUDNBSSA-N 0 0 271.788 3.247 20 10 CGCDRN C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(Cl)cc1[O-] ZINC000841751937 635225218 /nfs/dbraw/zinc/22/52/18/635225218.db2.gz OWDHSDRZPDCXMA-LLVKDONJSA-N 0 0 283.799 3.249 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(Cl)cc1[O-] ZINC000841753999 635227564 /nfs/dbraw/zinc/22/75/64/635227564.db2.gz GYKZUGRAZDMTFR-JTQLQIEISA-N 0 0 271.788 3.105 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841755489 635230054 /nfs/dbraw/zinc/23/00/54/635230054.db2.gz QFPYAVZWLLBHOP-DMDPSCGWSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841757321 635231820 /nfs/dbraw/zinc/23/18/20/635231820.db2.gz NHFYAXAGDPEZHM-GYSYKLTISA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(Cl)cc1[O-] ZINC000841758101 635231972 /nfs/dbraw/zinc/23/19/72/635231972.db2.gz SCJMWWGQRJNTRY-SNVBAGLBSA-N 0 0 285.815 3.493 20 10 CGCDRN CC(C)=CCC[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841908154 635251712 /nfs/dbraw/zinc/25/17/12/635251712.db2.gz LHSGBPMSTVOIHX-AWEZNQCLSA-N 0 0 289.423 3.245 20 10 CGCDRN C[C@@H]1CCCC[C@]1(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955406 635252753 /nfs/dbraw/zinc/25/27/53/635252753.db2.gz BCHSZVAHZLRJPI-DYVFJYSZSA-N 0 0 289.423 3.079 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000104616824 635271997 /nfs/dbraw/zinc/27/19/97/635271997.db2.gz BOKQRNMOFSCLDO-MLGOLLRUSA-N 0 0 297.402 3.408 20 10 CGCDRN Cc1cc(O)c(CN2CCNc3ccccc32)cc1C ZINC000843125145 635560016 /nfs/dbraw/zinc/56/00/16/635560016.db2.gz XPKGXOGYYXEAMJ-UHFFFAOYSA-N 0 0 268.360 3.441 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000843255729 635627497 /nfs/dbraw/zinc/62/74/97/635627497.db2.gz CLEOOFVTHQTMCT-HZPDHXFCSA-N 0 0 272.392 3.101 20 10 CGCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1cc(Cl)ccc1O ZINC000843424222 635668838 /nfs/dbraw/zinc/66/88/38/635668838.db2.gz WGFWQKKYBABLGY-GFCCVEGCSA-N 0 0 299.798 3.113 20 10 CGCDRN COc1c([O-])c(C[N@H+](C)CCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000843425453 635670134 /nfs/dbraw/zinc/67/01/34/635670134.db2.gz ORDGKXVOZJVYLU-UHFFFAOYSA-N 0 0 296.367 3.177 20 10 CGCDRN CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1ccc(N)cc1 ZINC000843489927 635681136 /nfs/dbraw/zinc/68/11/36/635681136.db2.gz NNSLHEQJWGTHDX-KRWDZBQOSA-N 0 0 297.402 3.206 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NC1CCCCC1 ZINC000844281588 635857031 /nfs/dbraw/zinc/85/70/31/635857031.db2.gz NXJQDSOFMJYSFF-UHFFFAOYSA-N 0 0 282.771 3.178 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(C(=O)N(C)C)c2)cc1 ZINC000844353254 635877727 /nfs/dbraw/zinc/87/77/27/635877727.db2.gz JBMNDMBTKTWWDW-UHFFFAOYSA-N 0 0 298.386 3.033 20 10 CGCDRN COc1cccc(CNC(=O)C[C@@H]2CCC[C@H](C)C2)c1O ZINC000105650544 635976801 /nfs/dbraw/zinc/97/68/01/635976801.db2.gz RXFFQQQIOXHDEU-QWHCGFSZSA-N 0 0 291.391 3.233 20 10 CGCDRN COC[C@@H](C)Cc1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000844879596 635978178 /nfs/dbraw/zinc/97/81/78/635978178.db2.gz ISRJPVYXIZGIKE-ZDUSSCGKSA-N 0 0 297.358 3.352 20 10 CGCDRN Nc1ccc(OCc2cn(CCC3=CCCCC3)nn2)cc1 ZINC000881316161 636097400 /nfs/dbraw/zinc/09/74/00/636097400.db2.gz BLELBLTVEXIDKV-UHFFFAOYSA-N 0 0 298.390 3.330 20 10 CGCDRN C[C@@H](NC(=O)CC[C@H]1CC(C)(C)CO1)c1ccccc1O ZINC000881441186 636109426 /nfs/dbraw/zinc/10/94/26/636109426.db2.gz SNYSDMYAQRQWFO-OLZOCXBDSA-N 0 0 291.391 3.165 20 10 CGCDRN COc1ccc(N(C)Cc2cn(C(C)C)nc2C)cc1 ZINC000845999241 636128538 /nfs/dbraw/zinc/12/85/38/636128538.db2.gz UMARHVBGZRYPPB-UHFFFAOYSA-N 0 0 273.380 3.417 20 10 CGCDRN COc1cccc([C@@H](C)Nc2cnn(C)c2C2CC2)c1O ZINC000846162261 636150992 /nfs/dbraw/zinc/15/09/92/636150992.db2.gz CKALJGJJIWJQRF-SNVBAGLBSA-N 0 0 287.363 3.185 20 10 CGCDRN COc1cccc([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)c1O ZINC000846170442 636153019 /nfs/dbraw/zinc/15/30/19/636153019.db2.gz LAHBEHWKKQOZJU-OQPBUACISA-N 0 0 289.297 3.392 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C12CCC(CC1)C2 ZINC000846473275 636187356 /nfs/dbraw/zinc/18/73/56/636187356.db2.gz LOKYFWCKLWPXNK-UHFFFAOYSA-N 0 0 279.767 3.242 20 10 CGCDRN O=C(CC[C@@H]1CCCCO1)NCc1cc(Cl)ccc1O ZINC000846476370 636188862 /nfs/dbraw/zinc/18/88/62/636188862.db2.gz NYJYWBXPDIBRMV-ZDUSSCGKSA-N 0 0 297.782 3.011 20 10 CGCDRN O=C(CCCC1CC1)NCc1cc(Cl)ccc1O ZINC000846476893 636188912 /nfs/dbraw/zinc/18/89/12/636188912.db2.gz PPDQJRRAWGVIOI-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN c1csc(SC[C@@H]2CN(c3ccccc3)CCO2)n1 ZINC000882110761 636256870 /nfs/dbraw/zinc/25/68/70/636256870.db2.gz SZASTAYLNYTRQC-ZDUSSCGKSA-N 0 0 292.429 3.141 20 10 CGCDRN CCC(F)(F)CSc1ncc(C(=O)OC)s1 ZINC000882174251 636275226 /nfs/dbraw/zinc/27/52/26/636275226.db2.gz QPDKTCRZVKOQHP-UHFFFAOYSA-N 0 0 267.322 3.067 20 10 CGCDRN CCCN(C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000847277852 636374985 /nfs/dbraw/zinc/37/49/85/636374985.db2.gz VNOYGBDODUZTMW-UHFFFAOYSA-N 0 0 277.412 3.083 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1OCc2ccccc21 ZINC000847570808 636398909 /nfs/dbraw/zinc/39/89/09/636398909.db2.gz SOGWUZNXQBEROU-QGZVFWFLSA-N 0 0 297.354 3.012 20 10 CGCDRN Cc1nc(C)c(CC[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000882990006 636492695 /nfs/dbraw/zinc/49/26/95/636492695.db2.gz RQZORFYLDRFBPH-UHFFFAOYSA-N 0 0 298.358 3.076 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)C(C)C ZINC000848100363 636529218 /nfs/dbraw/zinc/52/92/18/636529218.db2.gz NJIHGWOCCRDRNZ-YPUOHESYSA-N 0 0 277.364 3.004 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000883112326 636544446 /nfs/dbraw/zinc/54/44/46/636544446.db2.gz IYQJTMUIVHJSTA-UHFFFAOYSA-N 0 0 283.240 3.349 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000883161047 636559852 /nfs/dbraw/zinc/55/98/52/636559852.db2.gz IREGCVHFNRXUTQ-CABCVRRESA-N 0 0 297.345 3.108 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000883161048 636560167 /nfs/dbraw/zinc/56/01/67/636560167.db2.gz IREGCVHFNRXUTQ-GJZGRUSLSA-N 0 0 297.345 3.108 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)C1CCC(F)(F)CC1 ZINC000848391739 636565716 /nfs/dbraw/zinc/56/57/16/636565716.db2.gz OOIIZUPMSYQWDK-MRVPVSSYSA-N 0 0 289.347 3.398 20 10 CGCDRN Cc1ncc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883193783 636576911 /nfs/dbraw/zinc/57/69/11/636576911.db2.gz FQCGIMBTONJTTQ-SSDOTTSWSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C(=O)OC(C)(C)C ZINC000848562345 636607423 /nfs/dbraw/zinc/60/74/23/636607423.db2.gz IBHVEJPSBPPSIW-GHMZBOCLSA-N 0 0 297.370 3.160 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cc(F)cc(F)c1[O-] ZINC000883247059 636616262 /nfs/dbraw/zinc/61/62/62/636616262.db2.gz YIVUCCHLFOEOCQ-NXEZZACHSA-N 0 0 253.292 3.287 20 10 CGCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(Cl)ccc1O ZINC000131507571 636671193 /nfs/dbraw/zinc/67/11/93/636671193.db2.gz BHOARTGVOSBOGO-JTQLQIEISA-N 0 0 299.798 3.208 20 10 CGCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c(O)cccc1Cl ZINC000131519692 636672830 /nfs/dbraw/zinc/67/28/30/636672830.db2.gz BVLDIZJXQLTLJG-JTQLQIEISA-N 0 0 299.798 3.208 20 10 CGCDRN CCc1cccc(CN[C@@H](C2CC2)C(F)(F)F)c1O ZINC000848912593 636687168 /nfs/dbraw/zinc/68/71/68/636687168.db2.gz SREBSMWJXVCKAP-ZDUSSCGKSA-N 0 0 273.298 3.385 20 10 CGCDRN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)F ZINC000883399260 636739624 /nfs/dbraw/zinc/73/96/24/636739624.db2.gz IKLKEUOCSKTYHZ-BHNWBGBOSA-N 0 0 259.271 3.323 20 10 CGCDRN COc1cccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1O ZINC000132568263 636820138 /nfs/dbraw/zinc/82/01/38/636820138.db2.gz VSBJZPULEQAVDP-NSHDSACASA-N 0 0 251.370 3.267 20 10 CGCDRN Cc1ccc(N(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000132948672 636855712 /nfs/dbraw/zinc/85/57/12/636855712.db2.gz UBTANZMCRRRUJI-UHFFFAOYSA-N 0 0 271.316 3.066 20 10 CGCDRN CCCN(Cc1cc(C)c(C)cc1O)CC(F)F ZINC000133119649 636873950 /nfs/dbraw/zinc/87/39/50/636873950.db2.gz ARKDMUJXUGCLDT-UHFFFAOYSA-N 0 0 257.324 3.486 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)NCCCC2CC2)cc1 ZINC000133210421 636885956 /nfs/dbraw/zinc/88/59/56/636885956.db2.gz RTSABUGZKKVWJA-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN Cc1noc([C@@H](C)Sc2ncc(Cl)s2)n1 ZINC000849999103 636923896 /nfs/dbraw/zinc/92/38/96/636923896.db2.gz NPFRVDDBXFXSAS-SCSAIBSYSA-N 0 0 261.759 3.341 20 10 CGCDRN Cc1cc(CSc2ncc(Cl)s2)nn1C ZINC000850000473 636925046 /nfs/dbraw/zinc/92/50/46/636925046.db2.gz WGHAQYNQJBYTLU-UHFFFAOYSA-N 0 0 259.787 3.131 20 10 CGCDRN CC[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000133761530 636974569 /nfs/dbraw/zinc/97/45/69/636974569.db2.gz IOMRFCNDFGOFSG-HNNXBMFYSA-N 0 0 269.344 3.202 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C2CC=CC2)c1 ZINC000134751146 637036239 /nfs/dbraw/zinc/03/62/39/637036239.db2.gz VYMJBWKDKJVDEB-UHFFFAOYSA-N 0 0 282.181 3.271 20 10 CGCDRN COc1cccc(OC)c1C[NH2+][C@H](C)c1ccccc1O ZINC000850505026 637092917 /nfs/dbraw/zinc/09/29/17/637092917.db2.gz KODJSKFNFMFYSS-GFCCVEGCSA-N 0 0 287.359 3.260 20 10 CGCDRN CCSC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850553501 637118670 /nfs/dbraw/zinc/11/86/70/637118670.db2.gz XPVVIGWRHNMPNP-JTQLQIEISA-N 0 0 296.392 3.237 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000850556452 637120626 /nfs/dbraw/zinc/12/06/26/637120626.db2.gz QEQHAQOEVLXYQZ-QLJPJBMISA-N 0 0 277.364 3.018 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000850571072 637128958 /nfs/dbraw/zinc/12/89/58/637128958.db2.gz MBSFTEYGAIQDCW-UWVGGRQHSA-N 0 0 285.334 3.136 20 10 CGCDRN Nc1ccc(NC(=O)N(CCC2CC2)CC2CC2)cc1 ZINC000850749645 637145182 /nfs/dbraw/zinc/14/51/82/637145182.db2.gz DZDKFLRMDAVNTC-UHFFFAOYSA-N 0 0 273.380 3.313 20 10 CGCDRN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCS1 ZINC000135835429 637190617 /nfs/dbraw/zinc/19/06/17/637190617.db2.gz ADCPILFIDFVIIP-ZDUSSCGKSA-N 0 0 297.395 3.061 20 10 CGCDRN COc1ccc(N(C)CCO[C@@H]2CC2(F)F)cc1Cl ZINC000851809631 637510393 /nfs/dbraw/zinc/51/03/93/637510393.db2.gz WIUCLKLSQGNNLC-GFCCVEGCSA-N 0 0 291.725 3.209 20 10 CGCDRN CCN(Cc1cn(C(C)(C)C)nn1)c1ccc(OC)cc1 ZINC000851827428 637515765 /nfs/dbraw/zinc/51/57/65/637515765.db2.gz FYXXUBJDOCUABN-UHFFFAOYSA-N 0 0 288.395 3.068 20 10 CGCDRN Cc1cc(C)n(CCC[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886491474 637539914 /nfs/dbraw/zinc/53/99/14/637539914.db2.gz FSWXJQQGCGTJJL-ZDUSSCGKSA-N 0 0 291.370 3.086 20 10 CGCDRN CC(C)COCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886493355 637541146 /nfs/dbraw/zinc/54/11/46/637541146.db2.gz GFSGTZVYDMENRQ-LBPRGKRZSA-N 0 0 269.360 3.245 20 10 CGCDRN Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526258 637552728 /nfs/dbraw/zinc/55/27/28/637552728.db2.gz IFJDZEUSXNTFOY-MLGOLLRUSA-N 0 0 289.350 3.224 20 10 CGCDRN CCc1nc(CN[C@H](C)c2c(O)cccc2F)cs1 ZINC000886525055 637553018 /nfs/dbraw/zinc/55/30/18/637553018.db2.gz WKVNGESALPJMGZ-SECBINFHSA-N 0 0 280.368 3.401 20 10 CGCDRN CSCC[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530251 637556176 /nfs/dbraw/zinc/55/61/76/637556176.db2.gz HASVMIZVKMUCCH-ZJUUUORDSA-N 0 0 257.374 3.324 20 10 CGCDRN Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886535032 637560116 /nfs/dbraw/zinc/56/01/16/637560116.db2.gz TXFCTEFPOMCLKZ-WFASDCNBSA-N 0 0 289.350 3.224 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2cccs2)cc1 ZINC000008171905 637580679 /nfs/dbraw/zinc/58/06/79/637580679.db2.gz GWLADNOHEHWNHG-MDZDMXLPSA-N 0 0 286.400 3.144 20 10 CGCDRN C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1nccs1 ZINC000886590379 637595321 /nfs/dbraw/zinc/59/53/21/637595321.db2.gz UIBUXPKHMLCREN-NXEZZACHSA-N 0 0 280.368 3.442 20 10 CGCDRN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1c(O)cccc1F ZINC000886620092 637612645 /nfs/dbraw/zinc/61/26/45/637612645.db2.gz BPKPMEHZIGBKQT-NHCYSSNCSA-N 0 0 275.327 3.084 20 10 CGCDRN C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000886633551 637620087 /nfs/dbraw/zinc/62/00/87/637620087.db2.gz YMROKWFDFBTBAX-GHMZBOCLSA-N 0 0 297.370 3.160 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886636140 637621376 /nfs/dbraw/zinc/62/13/76/637621376.db2.gz GPZDJSXNBABEQF-VXGBXAGGSA-N 0 0 280.387 3.055 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1c([O-])cccc1F ZINC000886637639 637623113 /nfs/dbraw/zinc/62/31/13/637623113.db2.gz BCLDOFBRILSYJX-JMPLFQLZSA-N 0 0 287.334 3.360 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)C1CCC(F)CC1 ZINC000852630455 637686661 /nfs/dbraw/zinc/68/66/61/637686661.db2.gz DWCAYEQBCNVBCF-DCBWTQNWSA-N 0 0 294.370 3.108 20 10 CGCDRN C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O ZINC000886801713 637697871 /nfs/dbraw/zinc/69/78/71/637697871.db2.gz RGIPFOMBGDXVOE-RDDDGLTNSA-N 0 0 297.704 3.010 20 10 CGCDRN CCCc1nccnc1NCc1cc(C)ccc1O ZINC000853028929 637738723 /nfs/dbraw/zinc/73/87/23/637738723.db2.gz OSWCPRYVVALOTP-UHFFFAOYSA-N 0 0 257.337 3.055 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)CC2CCCC2)c1 ZINC000114544312 638375688 /nfs/dbraw/zinc/37/56/88/638375688.db2.gz KEIAGKPXTCKJBD-GFCCVEGCSA-N 0 0 291.391 3.233 20 10 CGCDRN CCCC[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C ZINC000857714421 638558850 /nfs/dbraw/zinc/55/88/50/638558850.db2.gz OAHYXGRNJZVANJ-ZDUSSCGKSA-N 0 0 279.380 3.176 20 10 CGCDRN CN(C)c1cc(F)c(CNCc2ccccc2F)cc1F ZINC000858087527 638623202 /nfs/dbraw/zinc/62/32/02/638623202.db2.gz OSXFLLGEOBTCCM-UHFFFAOYSA-N 0 0 294.320 3.460 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCC2)c1 ZINC000858095290 638626029 /nfs/dbraw/zinc/62/60/29/638626029.db2.gz NDGDVYCNDQUINP-UHFFFAOYSA-N 0 0 296.370 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000858095174 638626198 /nfs/dbraw/zinc/62/61/98/638626198.db2.gz MGZPZJAGJSFAHD-GXTWGEPZSA-N 0 0 276.380 3.079 20 10 CGCDRN Fc1nccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000858367024 638694252 /nfs/dbraw/zinc/69/42/52/638694252.db2.gz ICHUIVAJFMYYAG-UHFFFAOYSA-N 0 0 286.354 3.218 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2CCSC3(CCC3)C2)cc1 ZINC000926142508 638720962 /nfs/dbraw/zinc/72/09/62/638720962.db2.gz JZGHRAZXWCYWCT-CYBMUJFWSA-N 0 0 291.420 3.209 20 10 CGCDRN Nc1ccc(NC(=O)N[C@H]2CCSC3(CCC3)C2)cc1 ZINC000926142509 638721240 /nfs/dbraw/zinc/72/12/40/638721240.db2.gz JZGHRAZXWCYWCT-ZDUSSCGKSA-N 0 0 291.420 3.209 20 10 CGCDRN C[C@@H](Nc1cnn(CCF)c1)c1ccc(Cl)cc1O ZINC000858492256 638743095 /nfs/dbraw/zinc/74/30/95/638743095.db2.gz LVPSWLWJODZEJL-SECBINFHSA-N 0 0 283.734 3.385 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)C2CCC2)c1 ZINC000858513860 638751600 /nfs/dbraw/zinc/75/16/00/638751600.db2.gz OJJARSWCHNQNEB-UHFFFAOYSA-N 0 0 290.407 3.326 20 10 CGCDRN C[C@@H]1[C@H](C(=O)NCc2c(O)cccc2F)[C@H]1c1ccccc1 ZINC000928708387 638889391 /nfs/dbraw/zinc/88/93/91/638889391.db2.gz KLMHSFAQLQGLTG-JECHBYEQSA-N 0 0 299.345 3.197 20 10 CGCDRN COc1ccc(N(Cc2cnc(C)o2)CC2CC2)cc1 ZINC000930637221 639043147 /nfs/dbraw/zinc/04/31/47/639043147.db2.gz AVNCSTGWRWAEIU-UHFFFAOYSA-N 0 0 272.348 3.408 20 10 CGCDRN COc1cccc(CNC(=O)OCC2CCCCC2)c1O ZINC000859006413 639058362 /nfs/dbraw/zinc/05/83/62/639058362.db2.gz MSNMHILLJSBZIQ-UHFFFAOYSA-N 0 0 293.363 3.207 20 10 CGCDRN COC(=O)CCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000117338130 639317900 /nfs/dbraw/zinc/31/79/00/639317900.db2.gz QOENBNPJPQULBF-UHFFFAOYSA-N 0 0 283.343 3.002 20 10 CGCDRN CCC(=CC(=O)NCc1ccc2cccnc2c1O)CC ZINC000862027209 639636090 /nfs/dbraw/zinc/63/60/90/639636090.db2.gz MOZDJYVJHBOAQY-UHFFFAOYSA-N 0 0 284.359 3.303 20 10 CGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027166 639636385 /nfs/dbraw/zinc/63/63/85/639636385.db2.gz LALRCWOCAIPHDG-KSSFIOAISA-N 0 0 298.386 3.239 20 10 CGCDRN Cc1ccccc1[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000934705487 639663078 /nfs/dbraw/zinc/66/30/78/639663078.db2.gz QVZBDJCBIVPXJQ-CQSZACIVSA-N 0 0 283.371 3.463 20 10 CGCDRN COc1cccc(CNC(=O)/C=C/C2CCCCC2)c1O ZINC000155674147 639945033 /nfs/dbraw/zinc/94/50/33/639945033.db2.gz SKQGFGXTGQIAIA-ZHACJKMWSA-N 0 0 289.375 3.154 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1cccc(O)c1 ZINC000158715989 640016171 /nfs/dbraw/zinc/01/61/71/640016171.db2.gz UPMRGDXNWMGUDQ-SNVBAGLBSA-N 0 0 261.296 3.088 20 10 CGCDRN Cc1cccc(C(=O)N(C)Cc2ccccc2O)c1C ZINC000048606738 640062271 /nfs/dbraw/zinc/06/22/71/640062271.db2.gz VBZLDHXHGKNAHK-UHFFFAOYSA-N 0 0 269.344 3.281 20 10 CGCDRN Cc1cccc(CNc2cnn([C@@H](C)C3CC3)c2)c1O ZINC000189747475 640204880 /nfs/dbraw/zinc/20/48/80/640204880.db2.gz DXRODYDALDXRGC-LBPRGKRZSA-N 0 0 271.364 3.480 20 10 CGCDRN O=C1c2ccccc2N[C@@H](c2cc(F)ccc2O)N1C1CC1 ZINC000077472062 640241736 /nfs/dbraw/zinc/24/17/36/640241736.db2.gz JJVCOHFITAMLIR-MRXNPFEDSA-N 0 0 298.317 3.260 20 10 CGCDRN CN(c1ccc(CNC(=O)C(F)F)cc1)C1CCCCC1 ZINC000194448645 640532326 /nfs/dbraw/zinc/53/23/26/640532326.db2.gz JTGVNHFNDFOMRJ-UHFFFAOYSA-N 0 0 296.361 3.337 20 10 CGCDRN CCCN(Cc1nc(C(C)C)no1)Cc1ccccc1O ZINC000195156240 640568241 /nfs/dbraw/zinc/56/82/41/640568241.db2.gz ZZGXNVWBEPCKSB-UHFFFAOYSA-N 0 0 289.379 3.311 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ncccc2C)c1C ZINC000244414786 640615415 /nfs/dbraw/zinc/61/54/15/640615415.db2.gz YQCMHHMVMWJDRL-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN CC[N@H+](Cc1ccoc1)Cc1cccc(OC)c1O ZINC000092935916 640751835 /nfs/dbraw/zinc/75/18/35/640751835.db2.gz PTTIQHZHIMBWAE-UHFFFAOYSA-N 0 0 261.321 3.016 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCOCC12CCCC2 ZINC000093840613 640782379 /nfs/dbraw/zinc/78/23/79/640782379.db2.gz VVCFQGFKJLQGNB-UHFFFAOYSA-N 0 0 281.783 3.191 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000094798363 640803862 /nfs/dbraw/zinc/80/38/62/640803862.db2.gz CHIVWRXAJIOLEO-CYBMUJFWSA-N 0 0 290.190 3.358 20 10 CGCDRN Cc1ccc([C@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000305764232 640904030 /nfs/dbraw/zinc/90/40/30/640904030.db2.gz DRAPJZIPRDREKS-OAHLLOKOSA-N 0 0 291.778 3.177 20 10 CGCDRN Oc1cc2c(cc1O)CN(c1nccc3ccoc31)CCC2 ZINC001155933441 805626776 /nfs/dbraw/zinc/62/67/76/805626776.db2.gz TZLXJUVKPLUVEH-UHFFFAOYSA-N 0 0 296.326 3.192 20 10 CGCDRN O=C(NCc1c(O)cccc1O)c1cccc2ccccc21 ZINC001156880859 805745718 /nfs/dbraw/zinc/74/57/18/805745718.db2.gz DXYUFWVMCZTCAO-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN CC(C)=CC(=O)NCc1c(O)ccc2ccccc21 ZINC001157036741 805767983 /nfs/dbraw/zinc/76/79/83/805767983.db2.gz HNDRSIJQOSXKSE-UHFFFAOYSA-N 0 0 255.317 3.128 20 10 CGCDRN CC[C@@H](O)CNc1ccccc1C(=O)c1ccc(F)cc1 ZINC001251750844 805929051 /nfs/dbraw/zinc/92/90/51/805929051.db2.gz AHAHIVCHMPXYQN-CQSZACIVSA-N 0 0 287.334 3.240 20 10 CGCDRN CCOc1cc(Cl)nc(NCc2ccc(O)c(O)c2)c1 ZINC001158995313 806028969 /nfs/dbraw/zinc/02/89/69/806028969.db2.gz CBNOGICBIOPTHI-UHFFFAOYSA-N 0 0 294.738 3.157 20 10 CGCDRN COc1cc(Nc2ccc(N)cc2)c(Br)cn1 ZINC001159227748 806061406 /nfs/dbraw/zinc/06/14/06/806061406.db2.gz MCCBUBXAVMCYJC-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN Nc1ccc(Nc2ccc(OC(F)(F)F)nc2)cc1 ZINC001159272820 806071492 /nfs/dbraw/zinc/07/14/92/806071492.db2.gz QJNBFXWPRZWMRQ-UHFFFAOYSA-N 0 0 269.226 3.306 20 10 CGCDRN Cc1cnc(NCc2cc3ccccc3cc2O)cn1 ZINC001160205223 806234892 /nfs/dbraw/zinc/23/48/92/806234892.db2.gz AVUGRSWDHMCFJW-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN COc1cc(C)nc(NCc2cc3ccccc3cc2O)n1 ZINC001160206982 806235327 /nfs/dbraw/zinc/23/53/27/806235327.db2.gz PPRZJMIYKXUYCD-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN COC(=O)c1cc(F)c(C)c(Nc2ccc(N)cc2)c1 ZINC001160222268 806237757 /nfs/dbraw/zinc/23/77/57/806237757.db2.gz DXEYLCHDWZRPIR-UHFFFAOYSA-N 0 0 274.295 3.247 20 10 CGCDRN Cc1cc(C)c(CNc2nc(C)ccc2F)c(O)c1 ZINC001160808408 806306115 /nfs/dbraw/zinc/30/61/15/806306115.db2.gz RMXCNIIKWHIXNQ-UHFFFAOYSA-N 0 0 260.312 3.464 20 10 CGCDRN C[C@H](NC(=O)NC[C@@]1(C)CC1(C)C)c1ccccc1O ZINC001254833852 806493445 /nfs/dbraw/zinc/49/34/45/806493445.db2.gz DRXHGKGLWMMGPR-MEDUHNTESA-N 0 0 276.380 3.189 20 10 CGCDRN Nc1ccc(CNc2nccc(Oc3ccccc3)n2)cc1 ZINC001162784286 806664575 /nfs/dbraw/zinc/66/45/75/806664575.db2.gz JCEAICAXRWKFIM-UHFFFAOYSA-N 0 0 292.342 3.463 20 10 CGCDRN Cc1cc(C(F)(F)NCc2ccc(N)cc2)cc(Cl)n1 ZINC001162783950 806664852 /nfs/dbraw/zinc/66/48/52/806664852.db2.gz DALIMFXCORMPCI-UHFFFAOYSA-N 0 0 297.736 3.465 20 10 CGCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCC(C)C ZINC000025314267 798839442 /nfs/dbraw/zinc/83/94/42/798839442.db2.gz TVDAHTFFZNBPNW-UHFFFAOYSA-N 0 0 299.374 3.416 20 10 CGCDRN CC(=O)Nc1cc(NCc2ccccc2O)ccc1C ZINC000037120392 798859492 /nfs/dbraw/zinc/85/94/92/798859492.db2.gz YOCSJTFSARHGQO-UHFFFAOYSA-N 0 0 270.332 3.271 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1sccc1Cl ZINC000383723322 799407338 /nfs/dbraw/zinc/40/73/38/799407338.db2.gz KPHCSNNAWNMPTF-UHFFFAOYSA-N 0 0 281.764 3.379 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)C(C)(C)C ZINC000383992184 799410246 /nfs/dbraw/zinc/41/02/46/799410246.db2.gz UYJUOZQCHGDKTL-UHFFFAOYSA-N 0 0 263.381 3.423 20 10 CGCDRN Oc1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1O ZINC000388965005 799458757 /nfs/dbraw/zinc/45/87/57/799458757.db2.gz UFKOAOLMINNSSG-UHFFFAOYSA-N 0 0 278.670 3.434 20 10 CGCDRN COc1cc(-c2noc(Cc3ccc(N)cc3)n2)ccc1F ZINC000389728261 799464771 /nfs/dbraw/zinc/46/47/71/799464771.db2.gz JEHJEPUFXDCWQG-UHFFFAOYSA-N 0 0 299.305 3.057 20 10 CGCDRN C[C@H]([NH2+]CCC1(CO)CC1)c1ccc2ccccc2c1O ZINC000395851734 799507457 /nfs/dbraw/zinc/50/74/57/799507457.db2.gz MCRYPAQXNMCGAN-ZDUSSCGKSA-N 0 0 285.387 3.359 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CS1 ZINC000397927505 799523194 /nfs/dbraw/zinc/52/31/94/799523194.db2.gz KRRGZKYFIYPTML-KCJUWKMLSA-N 0 0 257.786 3.029 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)[C@@H](C)CO1 ZINC000403810485 799572224 /nfs/dbraw/zinc/57/22/24/799572224.db2.gz JOUHZPZPHUOJLI-GXFFZTMASA-N 0 0 299.798 3.054 20 10 CGCDRN CC1CCC(C)(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588404241 799689103 /nfs/dbraw/zinc/68/91/03/799689103.db2.gz BIUPBFJDUFKHDD-XQRVVYSFSA-N 0 0 289.375 3.196 20 10 CGCDRN CCc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403736 799689142 /nfs/dbraw/zinc/68/91/42/799689142.db2.gz XRZVCVJKLDFVDS-NTMALXAHSA-N 0 0 283.327 3.312 20 10 CGCDRN CCC1(CC)CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000689242095 799763710 /nfs/dbraw/zinc/76/37/10/799763710.db2.gz ZYVFBHLGISWOSL-UHFFFAOYSA-N 0 0 274.408 3.240 20 10 CGCDRN CCc1cccc(CNc2cnn(C(C)C)c2)c1O ZINC000691512522 799785036 /nfs/dbraw/zinc/78/50/36/799785036.db2.gz MWJZSBCCDIJHSG-UHFFFAOYSA-N 0 0 259.353 3.344 20 10 CGCDRN CCc1cccc(CN[C@H]2CCCC2(F)F)c1O ZINC000691479768 799785484 /nfs/dbraw/zinc/78/54/84/799785484.db2.gz HQULVIIKNHXKQD-LBPRGKRZSA-N 0 0 255.308 3.232 20 10 CGCDRN CN(Cc1csc(C2CC2)n1)c1ccc(N)cc1 ZINC000694908359 799824878 /nfs/dbraw/zinc/82/48/78/799824878.db2.gz SNKUWEXRRFBALU-UHFFFAOYSA-N 0 0 259.378 3.239 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCSCC(F)(F)F ZINC000698943553 799858502 /nfs/dbraw/zinc/85/85/02/799858502.db2.gz JENQROGFGJSTCN-UHFFFAOYSA-N 0 0 299.745 3.431 20 10 CGCDRN C[C@@H]([NH2+]CCSCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000698951618 799857619 /nfs/dbraw/zinc/85/76/19/799857619.db2.gz DKFOINMJSXLKRB-MRVPVSSYSA-N 0 0 297.317 3.477 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCCC23CC3)ccc(F)c1F ZINC000703286147 799922070 /nfs/dbraw/zinc/92/20/70/799922070.db2.gz NECURKSFAYXPEQ-NSHDSACASA-N 0 0 253.292 3.093 20 10 CGCDRN CCC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OCC ZINC000705312113 799946674 /nfs/dbraw/zinc/94/66/74/799946674.db2.gz RZKLFHCEBUIIDU-YPMHNXCESA-N 0 0 269.360 3.387 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@@H]2C)c1O ZINC000706808764 799967449 /nfs/dbraw/zinc/96/74/49/799967449.db2.gz VGSYVRAFYLFFLY-IUCAKERBSA-N 0 0 267.756 3.088 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000708388078 799986263 /nfs/dbraw/zinc/98/62/63/799986263.db2.gz GSZUNTNLZNADEZ-JTQLQIEISA-N 0 0 277.261 3.338 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCC12CC2 ZINC000708410382 799989047 /nfs/dbraw/zinc/98/90/47/799989047.db2.gz YBJYDAQHZGSKBU-LBPRGKRZSA-N 0 0 253.292 3.093 20 10 CGCDRN COc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000708485170 799991077 /nfs/dbraw/zinc/99/10/77/799991077.db2.gz LLBCJJDHNLBOFB-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN C[C@@H]1C[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715716215 800144515 /nfs/dbraw/zinc/14/45/15/800144515.db2.gz DIKXWKCRCPMMGK-SFYZADRCSA-N 0 0 288.160 3.039 20 10 CGCDRN COCC(C)(C)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000718795222 800224016 /nfs/dbraw/zinc/22/40/16/800224016.db2.gz PLARGYIOKBKWEK-LLVKDONJSA-N 0 0 269.360 3.245 20 10 CGCDRN CSC1CCC(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000720588826 800262901 /nfs/dbraw/zinc/26/29/01/800262901.db2.gz OFBMUUIZLIJAPF-UHFFFAOYSA-N 0 0 293.436 3.312 20 10 CGCDRN COc1cccc2[nH]c(-c3ccc(N(C)C)cc3)nc21 ZINC000721206657 800281382 /nfs/dbraw/zinc/28/13/82/800281382.db2.gz PPIGMEGFRDTXKR-UHFFFAOYSA-N 0 0 267.332 3.305 20 10 CGCDRN CCCn1cc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000722376469 800318900 /nfs/dbraw/zinc/31/89/00/800318900.db2.gz IGDNTXAYYMPNRU-ZDUSSCGKSA-N 0 0 257.337 3.098 20 10 CGCDRN C[C@H]([NH2+]CCc1nccs1)c1cc(F)cc(F)c1[O-] ZINC000756507773 800380622 /nfs/dbraw/zinc/38/06/22/800380622.db2.gz FEYIUILPGNYGFJ-QMMMGPOBSA-N 0 0 284.331 3.020 20 10 CGCDRN COc1ccc2c(c1)CCN2CCCc1cnccc1C ZINC000809539256 800443086 /nfs/dbraw/zinc/44/30/86/800443086.db2.gz OBNWCBZKKUQMJP-UHFFFAOYSA-N 0 0 282.387 3.394 20 10 CGCDRN Cc1ncccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886643078 800545697 /nfs/dbraw/zinc/54/56/97/800545697.db2.gz KQQLZHFYSHCSNY-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN Nc1ccc(CNC(=O)c2ccccc2C2CCC2)cc1 ZINC000906628769 800599583 /nfs/dbraw/zinc/59/95/83/800599583.db2.gz VMFRPXCQFNSWFG-UHFFFAOYSA-N 0 0 280.371 3.466 20 10 CGCDRN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000932369921 800659137 /nfs/dbraw/zinc/65/91/37/800659137.db2.gz OIVFSBXRDHITGW-SNVBAGLBSA-N 0 0 299.798 3.151 20 10 CGCDRN CCOC1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001256445975 806901683 /nfs/dbraw/zinc/90/16/83/806901683.db2.gz YHLZZDWZLWPFES-UHFFFAOYSA-N 0 0 275.392 3.098 20 10 CGCDRN C[C@H]1C[C@H]1c1nnc(/C=C/c2ccc(N(C)C)cc2)o1 ZINC001256669130 806945065 /nfs/dbraw/zinc/94/50/65/806945065.db2.gz UPBNUTBHALFPJY-GSCMRRPUSA-N 0 0 269.348 3.429 20 10 CGCDRN C[C@@H](Nc1ncnc2scnc21)c1ccc(N(C)C)cc1 ZINC001118530188 802580093 /nfs/dbraw/zinc/58/00/93/802580093.db2.gz MLYJNLJJVOPATQ-SNVBAGLBSA-N 0 0 299.403 3.325 20 10 CGCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC001118744018 802597305 /nfs/dbraw/zinc/59/73/05/802597305.db2.gz PTVDHARZWCTVTN-LBPRGKRZSA-N 0 0 279.336 3.474 20 10 CGCDRN Oc1cccc(Nc2ccccc2OC(F)F)c1O ZINC001176011332 809601493 /nfs/dbraw/zinc/60/14/93/809601493.db2.gz ARBLSMQJSWORNR-UHFFFAOYSA-N 0 0 267.231 3.443 20 10 CGCDRN CC(C)CCC[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001120562995 802749616 /nfs/dbraw/zinc/74/96/16/802749616.db2.gz JWHZLBNMPSIZIB-ZDUSSCGKSA-N 0 0 277.412 3.283 20 10 CGCDRN CC(C)(C)CCCCNC(=O)NCc1ccc(N)cc1 ZINC001120570654 802750217 /nfs/dbraw/zinc/75/02/17/802750217.db2.gz HWGYNXMWFLWNKJ-UHFFFAOYSA-N 0 0 277.412 3.284 20 10 CGCDRN CC(C)NC(=S)Nc1ccccc1C(=O)c1ccncc1 ZINC001200787752 811744703 /nfs/dbraw/zinc/74/47/03/811744703.db2.gz ANVVSJUNXNNUOV-UHFFFAOYSA-N 0 0 299.399 3.007 20 10 CGCDRN CCCCCCNC(=S)N(C)Cc1ccccc1O ZINC001200951387 811772328 /nfs/dbraw/zinc/77/23/28/811772328.db2.gz ZQWJHZOULPNGIG-UHFFFAOYSA-N 0 0 280.437 3.279 20 10 CGCDRN Cc1cc(F)ncc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001243760465 802986133 /nfs/dbraw/zinc/98/61/33/802986133.db2.gz QOHQULTUKGXSTL-UHFFFAOYSA-N 0 0 294.329 3.406 20 10 CGCDRN CC(=O)c1ccc(N(C)C(=O)C=Cc2cccnc2C)cc1 ZINC001132833733 803438790 /nfs/dbraw/zinc/43/87/90/803438790.db2.gz HEJQZBKWRLXDOD-DHZHZOJOSA-N 0 0 294.354 3.269 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C2=CCCOC2)cn1 ZINC001245157439 803654042 /nfs/dbraw/zinc/65/40/42/803654042.db2.gz HGLVJXQAXQPBIC-UHFFFAOYSA-N 0 0 254.333 3.293 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)c1sccc1C(F)F ZINC001137443646 803733817 /nfs/dbraw/zinc/73/38/17/803733817.db2.gz XMYGUYWFWSYBRH-UHFFFAOYSA-N 0 0 299.298 3.027 20 10 CGCDRN Cc1cc(CN2CCCO2)c(C)n1-c1ccccc1 ZINC001137854221 803784587 /nfs/dbraw/zinc/78/45/87/803784587.db2.gz NLEMXLKDSBIAFV-UHFFFAOYSA-N 0 0 256.349 3.231 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2cnc(N)c(F)c2)cn1 ZINC001245521221 803786236 /nfs/dbraw/zinc/78/62/36/803786236.db2.gz RHXPWKGSXWHPNC-UHFFFAOYSA-N 0 0 282.322 3.272 20 10 CGCDRN Cc1c(CN2CC(OC(C)C)C2)c2ccccc2n1C ZINC001138259334 803884742 /nfs/dbraw/zinc/88/47/42/803884742.db2.gz GICQBTMKRWXDIU-UHFFFAOYSA-N 0 0 272.392 3.096 20 10 CGCDRN C[N@@H+](Cc1c(F)ccc(F)c1[O-])C[C@H]1CC1(C)C ZINC001139685064 804253163 /nfs/dbraw/zinc/25/31/63/804253163.db2.gz AAJODLJFNAJBFO-SECBINFHSA-N 0 0 255.308 3.148 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(C(F)F)CC1 ZINC001139685897 804253644 /nfs/dbraw/zinc/25/36/44/804253644.db2.gz DLHWBKPICKHZKD-UHFFFAOYSA-N 0 0 277.261 3.148 20 10 CGCDRN Oc1cccc(Br)c1CN1CCC[C@@H]1CF ZINC001140102730 804376670 /nfs/dbraw/zinc/37/66/70/804376670.db2.gz XZWPGPLKGCFINC-SECBINFHSA-N 0 0 288.160 3.089 20 10 CGCDRN Oc1cccc(Cl)c1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001140337836 804417818 /nfs/dbraw/zinc/41/78/18/804417818.db2.gz INACIJNEUQWDMJ-VIFPVBQESA-N 0 0 293.716 3.472 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001140583491 804465855 /nfs/dbraw/zinc/46/58/55/804465855.db2.gz IWBIRWKFDWNNBF-YGRLFVJLSA-N 0 0 267.319 3.435 20 10 CGCDRN CN(C)c1ccc(CN2CC(C(F)F)C2)c(Cl)c1 ZINC001140926466 804550727 /nfs/dbraw/zinc/55/07/27/804550727.db2.gz MEDVQTJKFYTSNV-UHFFFAOYSA-N 0 0 274.742 3.103 20 10 CGCDRN Cc1ccc(C[N@H+](C)CC2CC(F)(F)C2)c(O)c1 ZINC001140950851 804557311 /nfs/dbraw/zinc/55/73/11/804557311.db2.gz KVKLSZSNJJMFTO-UHFFFAOYSA-N 0 0 255.308 3.178 20 10 CGCDRN Cc1ccc(CN2CC(OCc3ccccc3)C2)c(O)c1 ZINC001140950256 804558909 /nfs/dbraw/zinc/55/89/09/804558909.db2.gz XKJBQLXLENXNDG-UHFFFAOYSA-N 0 0 283.371 3.102 20 10 CGCDRN CCc1cccc(N(C)C(=O)/C=C/c2cncc(O)c2)c1 ZINC001141893281 804677931 /nfs/dbraw/zinc/67/79/31/804677931.db2.gz GJNZNIJEJRHUHW-BQYQJAHWSA-N 0 0 282.343 3.026 20 10 CGCDRN COCCc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247429071 804733605 /nfs/dbraw/zinc/73/36/05/804733605.db2.gz AHOBFMCWDHUXCX-UHFFFAOYSA-N 0 0 297.358 3.333 20 10 CGCDRN Cc1ccnc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)c1 ZINC001247982022 804863863 /nfs/dbraw/zinc/86/38/63/804863863.db2.gz MENHBNSAIABZRL-HWKANZROSA-N 0 0 295.298 3.022 20 10 CGCDRN Cc1ccc(-c2noc(Cc3ccc(N)cc3)n2)c(F)c1 ZINC001248185324 804892114 /nfs/dbraw/zinc/89/21/14/804892114.db2.gz DLTVVVZWWQHZIZ-UHFFFAOYSA-N 0 0 283.306 3.357 20 10 CGCDRN CCN(Cc1cc(C)sn1)Cc1ccccc1O ZINC001249588661 805183777 /nfs/dbraw/zinc/18/37/77/805183777.db2.gz LPGXGLPXPLDFHW-UHFFFAOYSA-N 0 0 262.378 3.179 20 10 CGCDRN Cc1cc(C)c(NC(=S)NCc2cccn2C)c(C)c1 ZINC001249738778 805231333 /nfs/dbraw/zinc/23/13/33/805231333.db2.gz LHWHGIJTPFQXSQ-UHFFFAOYSA-N 0 0 287.432 3.437 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(C(F)F)o1)c1ccccc1O ZINC001151891829 805321050 /nfs/dbraw/zinc/32/10/50/805321050.db2.gz ARKMYIPFLWVTLC-MRVPVSSYSA-N 0 0 281.258 3.414 20 10 CGCDRN O=C(c1ccc(F)cc1Cl)N1Cc2cccc(O)c2C1 ZINC001152566453 805353289 /nfs/dbraw/zinc/35/32/89/805353289.db2.gz XBDKCBCLNBVFKF-UHFFFAOYSA-N 0 0 291.709 3.341 20 10 CGCDRN O=C(/C=C/CCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001152574622 805354174 /nfs/dbraw/zinc/35/41/74/805354174.db2.gz ZVAYUMGLNWEVRU-LFYBBSHMSA-N 0 0 293.366 3.423 20 10 CGCDRN CCOC(=O)c1ccc(Nc2cccc(O)c2O)cc1C ZINC001250085091 805407248 /nfs/dbraw/zinc/40/72/48/805407248.db2.gz MLIYSHQGYDJMGU-UHFFFAOYSA-N 0 0 287.315 3.327 20 10 CGCDRN O=C(NCc1cc(O)ccc1O)/C(F)=C\C1CCCCC1 ZINC001153884373 805419714 /nfs/dbraw/zinc/41/97/14/805419714.db2.gz DAIJQBXPMDHHHJ-RIYZIHGNSA-N 0 0 293.338 3.148 20 10 CGCDRN Cc1n[nH]cc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256975387 807021853 /nfs/dbraw/zinc/02/18/53/807021853.db2.gz YBWJDODTGLGHAV-UHFFFAOYSA-N 0 0 291.314 3.226 20 10 CGCDRN COCCOc1ccccc1N(C)c1ccc(N)cc1 ZINC001212641286 815091734 /nfs/dbraw/zinc/09/17/34/815091734.db2.gz OWLPAJQQBYNMCW-UHFFFAOYSA-N 0 0 272.348 3.062 20 10 CGCDRN Cc1ncccc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687337 815103478 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ZINC001214174328 815376817 /nfs/dbraw/zinc/37/68/17/815376817.db2.gz QAPPBBCFMLLUBL-UHFFFAOYSA-N 0 0 257.293 3.253 20 10 CGCDRN Cc1c(F)ccc(C(=O)NCc2ccccc2O)c1Cl ZINC001191379558 810708195 /nfs/dbraw/zinc/70/81/95/810708195.db2.gz LTZMQCMUPBAKML-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN COc1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(OC)n1 ZINC001192422188 810796368 /nfs/dbraw/zinc/79/63/68/810796368.db2.gz DEHIBMGWABHPBM-LBPRGKRZSA-N 0 0 294.395 3.043 20 10 CGCDRN C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236553 810865929 /nfs/dbraw/zinc/86/59/29/810865929.db2.gz HPDXBFXYWYANLZ-UWVGGRQHSA-N 0 0 297.782 3.307 20 10 CGCDRN Oc1cccc(Nc2c(Cl)ccc(O)c2F)c1O ZINC001214561689 815424126 /nfs/dbraw/zinc/42/41/26/815424126.db2.gz YXYYAEBVTLRVED-UHFFFAOYSA-N 0 0 269.659 3.340 20 10 CGCDRN CN(Cc1ncccn1)c1ccc(-c2nccs2)cc1 ZINC001194994662 811181336 /nfs/dbraw/zinc/18/13/36/811181336.db2.gz ZXXADYODAQIIEI-UHFFFAOYSA-N 0 0 282.372 3.237 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2cc(F)ccc2C)nc1 ZINC001195923371 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/nfs/dbraw/zinc/10/64/80/812106480.db2.gz DTBJIHASCGCFDZ-UHFFFAOYSA-N 0 0 272.348 3.143 20 10 CGCDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)c(C)c1 ZINC001215304028 815505176 /nfs/dbraw/zinc/50/51/76/815505176.db2.gz BPBRYIYHTYMVJQ-UHFFFAOYSA-N 0 0 282.299 3.432 20 10 CGCDRN Cc1cc(C)cc(NC(=O)NCc2ccc(O)cc2O)c1 ZINC001202850389 812187524 /nfs/dbraw/zinc/18/75/24/812187524.db2.gz GYMTZLGTQOOJED-UHFFFAOYSA-N 0 0 286.331 3.036 20 10 CGCDRN Cc1cccnc1NC(=O)NCc1cc(Cl)ccc1O ZINC001203238446 812277348 /nfs/dbraw/zinc/27/73/48/812277348.db2.gz KEHSLEROQYNXPN-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC001203627912 812410562 /nfs/dbraw/zinc/41/05/62/812410562.db2.gz RTKGKVOWHNUGHT-MRXNPFEDSA-N 0 0 284.359 3.133 20 10 CGCDRN Oc1ccc(CN2CCc3cc(Cl)ccc3C2)cc1O ZINC001203880768 812478530 /nfs/dbraw/zinc/47/85/30/812478530.db2.gz ZAFWPXRYGRHLKZ-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN Oc1ccc(CN2CCc3cccc(Cl)c3C2)cc1O ZINC001203879346 812478824 /nfs/dbraw/zinc/47/88/24/812478824.db2.gz IPXHLOGMZAELKV-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN CN(C)c1ccc(CN2Cc3ccc(F)cc3C2)cc1 ZINC001203934296 812495664 /nfs/dbraw/zinc/49/56/64/812495664.db2.gz PFFINOJRLGQSBR-UHFFFAOYSA-N 0 0 270.351 3.408 20 10 CGCDRN CN(C)c1ccc(CN2CC(F)C2)c2ccccc21 ZINC001204232423 812580621 /nfs/dbraw/zinc/58/06/21/812580621.db2.gz CKQYVNKXYPRYOA-UHFFFAOYSA-N 0 0 258.340 3.060 20 10 CGCDRN CCOc1ccc(N2CCN(Cc3ccoc3)CC2)cc1 ZINC001204244631 812585764 /nfs/dbraw/zinc/58/57/64/812585764.db2.gz OMBDYKCOWVICED-UHFFFAOYSA-N 0 0 286.375 3.001 20 10 CGCDRN Cc1c(F)cccc1C[N@@H+](C)Cc1ccccc1O ZINC001204510317 812661789 /nfs/dbraw/zinc/66/17/89/812661789.db2.gz LBMKSKVWRKPKLT-UHFFFAOYSA-N 0 0 259.324 3.472 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CC1(C)C ZINC001206335482 813294181 /nfs/dbraw/zinc/29/41/81/813294181.db2.gz HOIHNZSANOXYBT-YPMHNXCESA-N 0 0 251.345 3.446 20 10 CGCDRN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001207768100 813648808 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ZINC001594327025 958181804 /nfs/dbraw/zinc/18/18/04/958181804.db2.gz NIVDOIWICJXNPQ-LLVKDONJSA-N 0 0 297.782 3.041 20 10 CGCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC001575379827 962359733 /nfs/dbraw/zinc/35/97/33/962359733.db2.gz FCQHUASKTHUJKB-UHFFFAOYSA-N 0 0 297.402 3.046 20 10 CGCDRN CC(C)=CCC[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC001575390264 962369538 /nfs/dbraw/zinc/36/95/38/962369538.db2.gz SHLHAOXUOYNUKB-ZDUSSCGKSA-N 0 0 260.381 3.062 20 10 CGCDRN Nc1ccc(CC(=O)Nc2cnc(Cl)cc2Cl)cc1 ZINC001580443120 962726409 /nfs/dbraw/zinc/72/64/09/962726409.db2.gz RTKNUFNXDYQBLE-UHFFFAOYSA-N 0 0 296.157 3.152 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1cc2cnccc2o1 ZINC001588153403 963251058 /nfs/dbraw/zinc/25/10/58/963251058.db2.gz FHIFDJOAWXXQOF-QMMMGPOBSA-N 0 0 288.328 3.086 20 10 CGCDRN CCC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)CCC1 ZINC001595378873 980915373 /nfs/dbraw/zinc/91/53/73/980915373.db2.gz MQCJVYQGVVNCDS-NSHDSACASA-N 0 0 277.364 3.321 20 10 CGCDRN Cc1ccc(OCC(=O)N(C)Cc2ccccc2O)cc1C ZINC000042117227 344977885 /nfs/dbraw/zinc/97/78/85/344977885.db2.gz BWTGAHOEUVNMIZ-UHFFFAOYSA-N 0 0 299.370 3.046 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccccc2)cc1 ZINC000060678653 345222278 /nfs/dbraw/zinc/22/22/78/345222278.db2.gz LUVHMMCGMHXVKC-UHFFFAOYSA-N 0 0 296.414 3.344 20 10 CGCDRN Cc1cccc2ncnc(NCCc3ccc(O)c(O)c3)c12 ZINC000085689429 345747656 /nfs/dbraw/zinc/74/76/56/345747656.db2.gz NPAIWTXECQKCDT-UHFFFAOYSA-N 0 0 295.342 3.004 20 10 CGCDRN COc1cccc(CNc2cccc(F)c2[N+](=O)[O-])c1O ZINC000091479416 345815530 /nfs/dbraw/zinc/81/55/30/345815530.db2.gz FTOPRMUQDVRLTM-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN COc1ccc(O)c(CNc2cc(C3CC3)ccn2)c1 ZINC000290842861 346425872 /nfs/dbraw/zinc/42/58/72/346425872.db2.gz IKZITRWFXUSPAO-UHFFFAOYSA-N 0 0 270.332 3.285 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCCc2c(F)cccc21 ZINC000493842397 283726258 /nfs/dbraw/zinc/72/62/58/283726258.db2.gz HEDSGYUZERDXIK-VOTSOKGWSA-N 0 0 288.347 3.275 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000276981518 296164616 /nfs/dbraw/zinc/16/46/16/296164616.db2.gz VZNLSFJSAQNQHH-MNOVXSKESA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187920740 296165006 /nfs/dbraw/zinc/16/50/06/296165006.db2.gz ITIFEAZBRSTGBX-PUYPPJJSSA-N 0 0 297.345 3.279 20 10 CGCDRN COCC(C)(C)CCC[NH2+][C@H](C)c1ccccc1O ZINC000287100233 371604819 /nfs/dbraw/zinc/60/48/19/371604819.db2.gz PZFRZLPEFONPHW-CYBMUJFWSA-N 0 0 265.397 3.496 20 10 CGCDRN COc1ccc(O)c([C@H](C)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000287437285 371656324 /nfs/dbraw/zinc/65/63/24/371656324.db2.gz UEPKLMCUYIQSDR-SDBXPKJASA-N 0 0 289.297 3.392 20 10 CGCDRN CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000293660908 372440181 /nfs/dbraw/zinc/44/01/81/372440181.db2.gz LXCKTXUKJYTTOI-NSHDSACASA-N 0 0 274.364 3.492 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000293676483 372446467 /nfs/dbraw/zinc/44/64/67/372446467.db2.gz QZUVICLQODXWOJ-ABAIWWIYSA-N 0 0 299.773 3.232 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000293704962 372456064 /nfs/dbraw/zinc/45/60/64/372456064.db2.gz MKQKTFLPYOBFTA-LLVKDONJSA-N 0 0 277.364 3.018 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000293733154 372464289 /nfs/dbraw/zinc/46/42/89/372464289.db2.gz WOCGSHHGIPCCFO-WDBKCZKBSA-N 0 0 299.773 3.232 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294071218 372573312 /nfs/dbraw/zinc/57/33/12/372573312.db2.gz QMBCDIWGSUAFPU-CVEARBPZSA-N 0 0 293.794 3.189 20 10 CGCDRN CSC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168813070 372621409 /nfs/dbraw/zinc/62/14/09/372621409.db2.gz BNLFXYNPKPFXSC-VIFPVBQESA-N 0 0 257.374 3.324 20 10 CGCDRN CC[C@@H](C)[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000294183908 372605649 /nfs/dbraw/zinc/60/56/49/372605649.db2.gz KIJXDSJHXZIWFO-ZWNOBZJWSA-N 0 0 271.788 3.196 20 10 CGCDRN CC1(C)C[C@H](O)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000294699446 372667977 /nfs/dbraw/zinc/66/79/77/372667977.db2.gz AROMFXZSGUJQKO-LLVKDONJSA-N 0 0 283.799 3.029 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000296604018 373193125 /nfs/dbraw/zinc/19/31/25/373193125.db2.gz VVPPYQFRCZZLQB-KWBADKCTSA-N 0 0 287.350 3.382 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CC(COc2ccccc2)C1 ZINC000297463385 373272300 /nfs/dbraw/zinc/27/23/00/373272300.db2.gz RTZTXBJLVSDIEY-UHFFFAOYSA-N 0 0 287.334 3.042 20 10 CGCDRN Nc1ccc(CNC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000297229798 373260914 /nfs/dbraw/zinc/26/09/14/373260914.db2.gz OTNDODIGNPLMAE-MRXNPFEDSA-N 0 0 294.398 3.395 20 10 CGCDRN Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000176985962 373647118 /nfs/dbraw/zinc/64/71/18/373647118.db2.gz MJJLIVMGQIGAOK-TZMCWYRMSA-N 0 0 297.402 3.360 20 10 CGCDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000302435312 373867632 /nfs/dbraw/zinc/86/76/32/373867632.db2.gz QLDICKJFSKCZLY-LBPRGKRZSA-N 0 0 270.380 3.333 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(CC)ccn1 ZINC000181592969 374144450 /nfs/dbraw/zinc/14/44/50/374144450.db2.gz AMIBOXUIEGFELK-UHFFFAOYSA-N 0 0 298.386 3.402 20 10 CGCDRN CCC[C@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000185766787 374732123 /nfs/dbraw/zinc/73/21/23/374732123.db2.gz REGHNXFTNFNHDF-MRXNPFEDSA-N 0 0 277.364 3.140 20 10 CGCDRN CCCCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471488979 375002763 /nfs/dbraw/zinc/00/27/63/375002763.db2.gz RGJJOAFFQZBEQI-UHFFFAOYSA-N 0 0 287.407 3.476 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000187729825 375083694 /nfs/dbraw/zinc/08/36/94/375083694.db2.gz AJTMWOVNQUFZNF-QPUJVOFHSA-N 0 0 299.342 3.116 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187800740 375099252 /nfs/dbraw/zinc/09/92/52/375099252.db2.gz LKPCADGTKKWBOJ-UWVGGRQHSA-N 0 0 287.350 3.118 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187829383 375104643 /nfs/dbraw/zinc/10/46/43/375104643.db2.gz UIAPUCWYNBJJJL-DTWKUNHWSA-N 0 0 275.364 3.463 20 10 CGCDRN CCC[N@H+](CC[C@H]1CCCO1)Cc1ccccc1O ZINC000189480771 375395544 /nfs/dbraw/zinc/39/55/44/375395544.db2.gz QECYSSMENPDCOZ-OAHLLOKOSA-N 0 0 263.381 3.173 20 10 CGCDRN O=C(/C=C/c1cnccn1)N1CCCc2cc(Cl)ccc21 ZINC000492806466 375454113 /nfs/dbraw/zinc/45/41/13/375454113.db2.gz KWWYCSFZGYMUFZ-GQCTYLIASA-N 0 0 299.761 3.123 20 10 CGCDRN COc1cccc(N(CC(C)C)C(=O)C=Cc2c[nH]cn2)c1 ZINC000492870652 375455134 /nfs/dbraw/zinc/45/51/34/375455134.db2.gz WLWJVIWIXCPNTQ-BQYQJAHWSA-N 0 0 299.374 3.121 20 10 CGCDRN CC(C)COCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191188961 375592344 /nfs/dbraw/zinc/59/23/44/375592344.db2.gz XXUSKAXNTWJKAD-LLVKDONJSA-N 0 0 287.350 3.384 20 10 CGCDRN CCOCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191209869 375596021 /nfs/dbraw/zinc/59/60/21/375596021.db2.gz SZJJWNVOVUCZEU-SNVBAGLBSA-N 0 0 273.323 3.138 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000191379244 375621097 /nfs/dbraw/zinc/62/10/97/375621097.db2.gz XFEYAXQVSREDKR-QMTHXVAHSA-N 0 0 299.773 3.186 20 10 CGCDRN Cc1ccnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000268293426 378053337 /nfs/dbraw/zinc/05/33/37/378053337.db2.gz FGYDGOCVLWTNID-OAHLLOKOSA-N 0 0 297.402 3.400 20 10 CGCDRN CC[C@H](C(=O)NCc1ccccc1O)c1ccc(OC)cc1 ZINC000271907055 378513764 /nfs/dbraw/zinc/51/37/64/378513764.db2.gz LPCYLKYOVPIFKV-INIZCTEOSA-N 0 0 299.370 3.211 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000273145235 378737816 /nfs/dbraw/zinc/73/78/16/378737816.db2.gz POKMIEZXZPPWPP-IRXDYDNUSA-N 0 0 275.392 3.056 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000273530860 378752177 /nfs/dbraw/zinc/75/21/77/378752177.db2.gz WGVPTWIQTSGMPO-WCQYABFASA-N 0 0 279.355 3.284 20 10 CGCDRN Cc1cnc(NCc2ccc(N(C)C)c(F)c2)s1 ZINC000273570564 378754477 /nfs/dbraw/zinc/75/44/77/378754477.db2.gz IXLNLDTWNRNCOL-UHFFFAOYSA-N 0 0 265.357 3.269 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(N3CCC3=O)cc2)cc1 ZINC000282115523 379856898 /nfs/dbraw/zinc/85/68/98/379856898.db2.gz FCWDUKNGOSIBCB-UHFFFAOYSA-N 0 0 295.386 3.101 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000285522869 380151200 /nfs/dbraw/zinc/15/12/00/380151200.db2.gz BGMDPYPBMACWES-WMHQRMGPSA-N 0 0 293.382 3.386 20 10 CGCDRN C/C(=C\c1nccn1Cc1ccccc1)c1cnccn1 ZINC000358212426 381295867 /nfs/dbraw/zinc/29/58/67/381295867.db2.gz QMNAOKCHOFMYFU-SDNWHVSQSA-N 0 0 276.343 3.282 20 10 CGCDRN C[C@H]1CCC[C@@H](N(C)C(=O)C2=CC(=O)CS2)C1 ZINC000732268670 572456172 /nfs/dbraw/zinc/45/61/72/572456172.db2.gz JZVMJGOEQPULBU-VHSXEESVSA-N 0 0 253.367 3.104 20 10 CGCDRN Cc1cc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)no1 ZINC000362379436 381965336 /nfs/dbraw/zinc/96/53/36/381965336.db2.gz IIMVPLKLNSCKHH-QGZVFWFLSA-N 0 0 285.391 3.386 20 10 CGCDRN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC2)c1O ZINC000186905644 262327663 /nfs/dbraw/zinc/32/76/63/262327663.db2.gz ILCSJXVIQQQBOK-MRVPVSSYSA-N 0 0 270.170 3.276 20 10 CGCDRN CCN(Cc1cscn1)Cc1ccc(N(C)C)cc1 ZINC000119045406 392394474 /nfs/dbraw/zinc/39/44/74/392394474.db2.gz KHQWSQQDTLCTNN-UHFFFAOYSA-N 0 0 275.421 3.231 20 10 CGCDRN COCCCCN(C)c1ccc(OC)c(Cl)c1 ZINC000121870201 392415801 /nfs/dbraw/zinc/41/58/01/392415801.db2.gz CQPRJSDVKWPMOY-UHFFFAOYSA-N 0 0 257.761 3.211 20 10 CGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000120803495 392403035 /nfs/dbraw/zinc/40/30/35/392403035.db2.gz HOUNGKJHQGAULR-OAHLLOKOSA-N 0 0 299.418 3.004 20 10 CGCDRN COCc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158092180 392555148 /nfs/dbraw/zinc/55/51/48/392555148.db2.gz NCMXUPNXPBZWCF-UHFFFAOYSA-N 0 0 291.778 3.482 20 10 CGCDRN Cc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173206326 392624253 /nfs/dbraw/zinc/62/42/53/392624253.db2.gz XQMNCDGIBWIQST-UHFFFAOYSA-N 0 0 296.370 3.100 20 10 CGCDRN CCc1cnc(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000174211788 392638061 /nfs/dbraw/zinc/63/80/61/392638061.db2.gz NJMOFFDZNGKETF-UHFFFAOYSA-N 0 0 291.376 3.075 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCOCC1CC1 ZINC000224527969 393010661 /nfs/dbraw/zinc/01/06/61/393010661.db2.gz UWGLFQHTSRHDMB-UHFFFAOYSA-N 0 0 290.190 3.215 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccsc1 ZINC000348701782 393127358 /nfs/dbraw/zinc/12/73/58/393127358.db2.gz RRLFLOLDBBLJEJ-UHFFFAOYSA-N 0 0 298.411 3.407 20 10 CGCDRN C[C@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273609605 298447328 /nfs/dbraw/zinc/44/73/28/298447328.db2.gz VINAZSRFBBNTPU-RKDXNWHRSA-N 0 0 292.206 3.368 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000020207300 171072030 /nfs/dbraw/zinc/07/20/30/171072030.db2.gz KPCKCLWNSGTXPU-PELKAZGASA-N 0 0 290.190 3.356 20 10 CGCDRN O[C@@H](COc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000155249086 261099812 /nfs/dbraw/zinc/09/98/12/261099812.db2.gz NCWUWKXKRGAJCP-GOSISDBHSA-N 0 0 297.398 3.269 20 10 CGCDRN Cc1c(/C=C/C(=O)N(C)c2ccc(C)cc2C)cnn1C ZINC000160558024 261217927 /nfs/dbraw/zinc/21/79/27/261217927.db2.gz LZBWSEHIBSHIRU-VQHVLOKHSA-N 0 0 283.375 3.022 20 10 CGCDRN CC(C)(C)c1cnc(S[C@H]2CCCCNC2=O)s1 ZINC000164060681 261338665 /nfs/dbraw/zinc/33/86/65/261338665.db2.gz UPJSHZNMADKQHL-VIFPVBQESA-N 0 0 284.450 3.201 20 10 CGCDRN Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(C2CC2)n1 ZINC000184147296 262010912 /nfs/dbraw/zinc/01/09/12/262010912.db2.gz BJSKZBANESNZOB-JTQLQIEISA-N 0 0 299.374 3.117 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000184320485 262016825 /nfs/dbraw/zinc/01/68/25/262016825.db2.gz YXQKEJRFBOWQBJ-HUUCEWRRSA-N 0 0 275.392 3.423 20 10 CGCDRN CC[C@@H](CSC)[N@H+](C)Cc1cc(F)ccc1O ZINC000290445947 263116750 /nfs/dbraw/zinc/11/67/50/263116750.db2.gz MBTSQMZQZQSPNY-LBPRGKRZSA-N 0 0 257.374 3.105 20 10 CGCDRN CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(F)cc1[O-] ZINC000291084964 263120038 /nfs/dbraw/zinc/12/00/38/263120038.db2.gz CHPNNHOEUPNDAZ-GOEBONIOSA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000129217185 264320738 /nfs/dbraw/zinc/32/07/38/264320738.db2.gz WEESNASEUJUIQO-HNNXBMFYSA-N 0 0 297.402 3.400 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000370475654 267320995 /nfs/dbraw/zinc/32/09/95/267320995.db2.gz DSMQGOUAYLYTBU-CQSZACIVSA-N 0 0 291.297 3.284 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2c(F)cccc2F)s1 ZINC000171993589 335087939 /nfs/dbraw/zinc/08/79/39/335087939.db2.gz WJWAPRVTPQCOFS-VOTSOKGWSA-N 0 0 294.326 3.406 20 10 CGCDRN CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000285661178 288035019 /nfs/dbraw/zinc/03/50/19/288035019.db2.gz MVGPQOPICOYCOJ-INIZCTEOSA-N 0 0 292.398 3.199 20 10 CGCDRN CC[C@H]([NH2+]CC[C@@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000297186666 288042430 /nfs/dbraw/zinc/04/24/30/288042430.db2.gz FDVGZNVEURUPBA-RISCZKNCSA-N 0 0 285.815 3.495 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287797689 288042945 /nfs/dbraw/zinc/04/29/45/288042945.db2.gz TXVXDLVPYLQTTJ-PELKAZGASA-N 0 0 292.206 3.368 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287549514 288047718 /nfs/dbraw/zinc/04/77/18/288047718.db2.gz FOIVWIGVVJMTHK-SUNKGSAMSA-N 0 0 285.815 3.493 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccnn1C)c1cccc(Cl)c1[O-] ZINC000287305943 288050893 /nfs/dbraw/zinc/05/08/93/288050893.db2.gz CRGFZFDKSURLCC-ZDUSSCGKSA-N 0 0 279.771 3.020 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000179902967 327803761 /nfs/dbraw/zinc/80/37/61/327803761.db2.gz WEUDOJYIEQJWNL-UHFFFAOYSA-N 0 0 291.782 3.079 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185564380 327841045 /nfs/dbraw/zinc/84/10/45/327841045.db2.gz ZFHWHNUWTKVDRT-MNOVXSKESA-N 0 0 269.360 3.386 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(C(F)(F)F)s2)c1 ZINC000185873678 327849236 /nfs/dbraw/zinc/84/92/36/327849236.db2.gz MIARQTIQBFQMNF-UHFFFAOYSA-N 0 0 289.282 3.183 20 10 CGCDRN CCc1c(C(=O)Nc2ccc(N)cc2)cnn1C(C)(C)C ZINC000269118543 328189689 /nfs/dbraw/zinc/18/96/89/328189689.db2.gz IKDOYOQLGHHTCF-UHFFFAOYSA-N 0 0 286.379 3.035 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000377827035 329030568 /nfs/dbraw/zinc/03/05/68/329030568.db2.gz SDCILQVHARRUAJ-ZIAGYGMSSA-N 0 0 293.382 3.170 20 10 CGCDRN CN(C)c1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1 ZINC000184093938 329256107 /nfs/dbraw/zinc/25/61/07/329256107.db2.gz RABOLZWJEJBHTI-KRWDZBQOSA-N 0 0 298.386 3.181 20 10 CGCDRN Cc1cc(NC(=O)C2=S=CC=C2)ccc1-c1ccncc1 ZINC000583150466 329322840 /nfs/dbraw/zinc/32/28/40/329322840.db2.gz QDGXCOPSZFWFHX-UHFFFAOYSA-N 0 0 294.379 3.273 20 10 CGCDRN COc1nccc(COc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000421210319 329806258 /nfs/dbraw/zinc/80/62/58/329806258.db2.gz ZPJKGHHFIIZMCH-UHFFFAOYSA-N 0 0 297.358 3.173 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1CCCc2cccc(O)c21 ZINC000492424901 332396943 /nfs/dbraw/zinc/39/69/43/332396943.db2.gz KTBNPAPBMHGNDM-BQYQJAHWSA-N 0 0 294.354 3.088 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc(F)c(F)c2)cn1 ZINC000492474181 332399213 /nfs/dbraw/zinc/39/92/13/332399213.db2.gz OKDWHGDFYKAIBD-YVMONPNESA-N 0 0 288.297 3.344 20 10 CGCDRN CC(=O)C(=O)CSCc1c(Cl)cccc1Cl ZINC000289798083 519358044 /nfs/dbraw/zinc/35/80/44/519358044.db2.gz YGMXGZWFJOCXKB-UHFFFAOYSA-N 0 0 277.172 3.385 20 10 CGCDRN CC(=O)C(=O)CSCc1ccc(C(F)(F)F)cc1 ZINC000289520490 519358520 /nfs/dbraw/zinc/35/85/20/519358520.db2.gz DDNZYILYMOMCPS-UHFFFAOYSA-N 0 0 276.279 3.097 20 10 CGCDRN CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000274906362 519421458 /nfs/dbraw/zinc/42/14/58/519421458.db2.gz IOMXHKVSCRCBKN-LSDHHAIUSA-N 0 0 281.371 3.215 20 10 CGCDRN CC(C)COc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000066153893 519764620 /nfs/dbraw/zinc/76/46/20/519764620.db2.gz PEHMZUAMVXJCAN-UHFFFAOYSA-N 0 0 298.386 3.485 20 10 CGCDRN CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000130164183 519809655 /nfs/dbraw/zinc/80/96/55/519809655.db2.gz FKUZOQQJGPNCJR-KRWDZBQOSA-N 0 0 299.370 3.154 20 10 CGCDRN Oc1ccc2c(c1CNc1cncc(Cl)n1)CCCC2 ZINC000302860710 534453399 /nfs/dbraw/zinc/45/33/99/534453399.db2.gz PFVRZVFQZGLENG-UHFFFAOYSA-N 0 0 289.766 3.327 20 10 CGCDRN CC/C=C/CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000298096030 520199371 /nfs/dbraw/zinc/19/93/71/520199371.db2.gz LWYBFXSCFKPPBG-BQYQJAHWSA-N 0 0 289.423 3.250 20 10 CGCDRN CCCC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000292042714 521000084 /nfs/dbraw/zinc/00/00/84/521000084.db2.gz ROOGANSRBXAMSD-LLVKDONJSA-N 0 0 265.353 3.057 20 10 CGCDRN CCCCc1noc(COc2ccc(N(C)C)cc2)n1 ZINC000289405387 521337152 /nfs/dbraw/zinc/33/71/52/521337152.db2.gz OQDFKNKYANMITG-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN CCN(Cc1ccccn1)c1ccc(OC)c(OC)c1 ZINC000266001183 521394746 /nfs/dbraw/zinc/39/47/46/521394746.db2.gz NXLZYKLBYWUCIJ-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CCc1nc(COc2ccc(N(C)C)cc2)cs1 ZINC000277967161 522363156 /nfs/dbraw/zinc/36/31/56/522363156.db2.gz XDWJZSNICYAPNQ-UHFFFAOYSA-N 0 0 262.378 3.351 20 10 CGCDRN COC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000080238032 522363708 /nfs/dbraw/zinc/36/37/08/522363708.db2.gz SNCQKTOXYFCOKT-MRXNPFEDSA-N 0 0 288.391 3.131 20 10 CGCDRN Clc1cncc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000301336462 534656802 /nfs/dbraw/zinc/65/68/02/534656802.db2.gz GOLQNMCQDJUHBU-UHFFFAOYSA-N 0 0 286.766 3.118 20 10 CGCDRN CO[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278670628 523884298 /nfs/dbraw/zinc/88/42/98/523884298.db2.gz JDUNEJNWLLYTJI-SFYZADRCSA-N 0 0 278.179 3.385 20 10 CGCDRN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(Cl)c1[O-] ZINC000289866970 524791477 /nfs/dbraw/zinc/79/14/77/524791477.db2.gz VQWGWIJFCKPPHK-GXTWGEPZSA-N 0 0 294.826 3.104 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000031726377 525214934 /nfs/dbraw/zinc/21/49/34/525214934.db2.gz AMEUDPMQOGHYIQ-CQSZACIVSA-N 0 0 297.402 3.313 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000290152672 525526020 /nfs/dbraw/zinc/52/60/20/525526020.db2.gz CRZWWJCYJMOKQX-PRXAMGSTSA-N 0 0 289.350 3.304 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276854526 525544346 /nfs/dbraw/zinc/54/43/46/525544346.db2.gz BKUHVYAMNZALLA-HZMBPMFUSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO[C@@H]1C1CC1 ZINC000365129956 525874068 /nfs/dbraw/zinc/87/40/68/525874068.db2.gz AMFXRXMNNKMEOS-HUUCEWRRSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H](C1CCCCC1)N(C)C(=O)c1cccc(O)c1O ZINC000282369242 526216697 /nfs/dbraw/zinc/21/66/97/526216697.db2.gz BYYGGFKXAMCOKI-LLVKDONJSA-N 0 0 277.364 3.139 20 10 CGCDRN Cc1cnccc1CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276927388 526228006 /nfs/dbraw/zinc/22/80/06/526228006.db2.gz NNNKIMLAKCTULS-LLVKDONJSA-N 0 0 292.329 3.267 20 10 CGCDRN Clc1cnc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000267124201 526997153 /nfs/dbraw/zinc/99/71/53/526997153.db2.gz UQQKSBPJUOPEHL-UHFFFAOYSA-N 0 0 288.782 3.342 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000727471157 571748911 /nfs/dbraw/zinc/74/89/11/571748911.db2.gz ZZXVXMSIGMRHAJ-UHFFFAOYSA-N 0 0 297.314 3.072 20 10 CGCDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000728748155 571817054 /nfs/dbraw/zinc/81/70/54/571817054.db2.gz QPRXKGYNPAOLHL-CABCVRRESA-N 0 0 290.407 3.406 20 10 CGCDRN COc1ccc(N(CC(=O)OC(C)(C)C)CC(C)C)cc1 ZINC000728917446 571847907 /nfs/dbraw/zinc/84/79/07/571847907.db2.gz FLQMPNOGVSJCMA-UHFFFAOYSA-N 0 0 293.407 3.499 20 10 CGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccccc1O)CC2 ZINC000730125835 571949392 /nfs/dbraw/zinc/94/93/92/571949392.db2.gz OLTVUXXSDVILLV-INIZCTEOSA-N 0 0 296.370 3.187 20 10 CGCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)C12CCC2 ZINC000742374347 572352100 /nfs/dbraw/zinc/35/21/00/572352100.db2.gz VVZSJROZJITMNH-CVEARBPZSA-N 0 0 275.392 3.138 20 10 CGCDRN Cc1ccc([C@@H](C)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000738545319 572378463 /nfs/dbraw/zinc/37/84/63/572378463.db2.gz BZDAFBALIJICGM-NSHDSACASA-N 0 0 275.373 3.296 20 10 CGCDRN CCN(CCn1nc(C)cc1C)c1ccc(OC)cc1 ZINC000731667828 572421175 /nfs/dbraw/zinc/42/11/75/572421175.db2.gz ZKISGIZVFTVNGP-UHFFFAOYSA-N 0 0 273.380 3.035 20 10 CGCDRN CCC(CC)CN(CC)C(=O)C1=CC(=O)CS1 ZINC000731869415 572434285 /nfs/dbraw/zinc/43/42/85/572434285.db2.gz HBVHYVDOJZDYPR-UHFFFAOYSA-N 0 0 255.383 3.352 20 10 CGCDRN Cc1ccc(CNC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000731868833 572434430 /nfs/dbraw/zinc/43/44/30/572434430.db2.gz YWDMCFKJBVFAJS-UHFFFAOYSA-N 0 0 261.346 3.001 20 10 CGCDRN O=C(OCCOc1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000731909143 572435807 /nfs/dbraw/zinc/43/58/07/572435807.db2.gz BANAYAFTVXNEKR-UHFFFAOYSA-N 0 0 298.747 3.343 20 10 CGCDRN O=C(OCc1nc2ccccc2s1)C1=CC(=O)CS1 ZINC000731910233 572435825 /nfs/dbraw/zinc/43/58/25/572435825.db2.gz PKPGULQELRLXLK-UHFFFAOYSA-N 0 0 291.353 3.420 20 10 CGCDRN Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)on1 ZINC000732202517 572452056 /nfs/dbraw/zinc/45/20/56/572452056.db2.gz UOYKDEJUYFSNFQ-UHFFFAOYSA-N 0 0 298.342 3.484 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(Cc1cccc(F)c1)C1CC1 ZINC000732267985 572455830 /nfs/dbraw/zinc/45/58/30/572455830.db2.gz ASUDIJMRKQLURK-UHFFFAOYSA-N 0 0 291.347 3.398 20 10 CGCDRN Cc1ccccc1C[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732274820 572457120 /nfs/dbraw/zinc/45/71/20/572457120.db2.gz UHNXKPYVOSNJDW-NSHDSACASA-N 0 0 275.373 3.123 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCc2ccccc2C1 ZINC000732290223 572458829 /nfs/dbraw/zinc/45/88/29/572458829.db2.gz SWDLNKBJGQSADO-UHFFFAOYSA-N 0 0 273.357 3.042 20 10 CGCDRN 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COc1ccc(N(CCCCCO)CC(C)C)cc1 ZINC000744395332 572748503 /nfs/dbraw/zinc/74/85/03/572748503.db2.gz RJYSEMVHPYBOJT-UHFFFAOYSA-N 0 0 265.397 3.320 20 10 CGCDRN COc1cccc(CCCOC(=O)C2=CC(=O)CS2)c1 ZINC000745001854 572787420 /nfs/dbraw/zinc/78/74/20/572787420.db2.gz CHVAAISUTAFUQG-UHFFFAOYSA-N 0 0 292.356 3.252 20 10 CGCDRN O=C(NCc1ccccc1O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000745789051 572837508 /nfs/dbraw/zinc/83/75/08/572837508.db2.gz AFVFZXCEFDHIRP-GZBFAFLISA-N 0 0 288.391 3.160 20 10 CGCDRN Cc1cc(C)nc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000746718454 572893128 /nfs/dbraw/zinc/89/31/28/572893128.db2.gz HXZKHMRBMLIYIJ-UHFFFAOYSA-N 0 0 282.391 3.088 20 10 CGCDRN CCc1cccc2c1N(C(=O)/C=C\c1cccnc1)CC2 ZINC000746790954 572896311 /nfs/dbraw/zinc/89/63/11/572896311.db2.gz QOAYYGGANDMRRQ-HJWRWDBZSA-N 0 0 278.355 3.247 20 10 CGCDRN CCc1ccc(NC(=S)NCc2cccc(F)n2)cc1 ZINC000747723004 572942645 /nfs/dbraw/zinc/94/26/45/572942645.db2.gz WJXJJXPMPGWSPI-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN Cc1ccc(C)c(NC(=S)NCc2ccccc2O)c1 ZINC000748158817 572964019 /nfs/dbraw/zinc/96/40/19/572964019.db2.gz SHHUADJXBIRIQY-UHFFFAOYSA-N 0 0 286.400 3.496 20 10 CGCDRN Cc1nc(C(C)C)sc1C(=O)NCc1ccccc1O ZINC000748345855 572974561 /nfs/dbraw/zinc/97/45/61/572974561.db2.gz PXTMSMWICDKJRM-UHFFFAOYSA-N 0 0 290.388 3.211 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2(C)CCC2)cc1F ZINC000749987147 573071742 /nfs/dbraw/zinc/07/17/42/573071742.db2.gz YWQWMKLJUWZYSJ-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000309779335 618955851 /nfs/dbraw/zinc/95/58/51/618955851.db2.gz MNINQNBSAASOFZ-SKDRFNHKSA-N 0 0 284.197 3.351 20 10 CGCDRN CN1C(=O)/C(=C/c2ccc(Cl)c(F)c2)SC1=S ZINC000049411999 617607270 /nfs/dbraw/zinc/60/72/70/617607270.db2.gz WIOMPNMUOATKCD-UITAMQMPSA-N 0 0 287.768 3.310 20 10 CGCDRN Cc1ccc(C(=O)NC2CC2)cc1NCc1ccccc1O ZINC000160255548 617691114 /nfs/dbraw/zinc/69/11/14/617691114.db2.gz JWSVJLIIQQHJTE-UHFFFAOYSA-N 0 0 296.370 3.205 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000305059738 617707019 /nfs/dbraw/zinc/70/70/19/617707019.db2.gz FCUUGTMDLKUINT-GOSISDBHSA-N 0 0 296.370 3.127 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@@H](C)O1 ZINC000248852352 617719511 /nfs/dbraw/zinc/71/95/11/617719511.db2.gz BMAVKIBXYXVWOC-ZWNOBZJWSA-N 0 0 299.798 3.054 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@H]1C1CCC1 ZINC000890760870 617816657 /nfs/dbraw/zinc/81/66/57/617816657.db2.gz CHGNYLYUBRJOMN-NWDGAFQWSA-N 0 0 279.767 3.098 20 10 CGCDRN C[C@@H](C(=O)NCc1cccc(Cl)c1O)C1CCC1 ZINC000890760991 617816769 /nfs/dbraw/zinc/81/67/69/617816769.db2.gz HRGJMKMLOMITBG-SECBINFHSA-N 0 0 267.756 3.098 20 10 CGCDRN C[C@]1(C(=O)NCc2cccc(Cl)c2O)C=CCC1 ZINC000890762776 617819509 /nfs/dbraw/zinc/81/95/09/617819509.db2.gz ILMRZOGMMHTYQF-AWEZNQCLSA-N 0 0 265.740 3.018 20 10 CGCDRN CC1(C)CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000079680221 617981524 /nfs/dbraw/zinc/98/15/24/617981524.db2.gz IQJFOWPEXMPHJH-UHFFFAOYSA-N 0 0 261.369 3.359 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2ccoc2)c1O ZINC000050151085 618057670 /nfs/dbraw/zinc/05/76/70/618057670.db2.gz ODAQIVVVTPBQNV-UHFFFAOYSA-N 0 0 293.750 3.473 20 10 CGCDRN COc1cc(O)c(CN2CCCc3ccccc32)cc1OC ZINC000160469539 618062359 /nfs/dbraw/zinc/06/23/59/618062359.db2.gz MIMNZMDULOYICK-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN CCC[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000891461116 618227172 /nfs/dbraw/zinc/22/71/72/618227172.db2.gz TWKGYVXXJRWISP-VIFPVBQESA-N 0 0 270.760 3.033 20 10 CGCDRN COC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176673413 618631218 /nfs/dbraw/zinc/63/12/18/618631218.db2.gz HAZUPNIDJHJSGG-AWEZNQCLSA-N 0 0 299.370 3.128 20 10 CGCDRN CCOc1ccc(CN(C)c2ccccc2)c(O)c1 ZINC000780753356 618682626 /nfs/dbraw/zinc/68/26/26/618682626.db2.gz FRGSJJCBYARYCC-UHFFFAOYSA-N 0 0 257.333 3.427 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000840875934 618749032 /nfs/dbraw/zinc/74/90/32/618749032.db2.gz LAHBUEIQGBIFOH-ZLKJLUDKSA-N 0 0 295.354 3.110 20 10 CGCDRN Cc1ccc(C)c(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000179379001 618779947 /nfs/dbraw/zinc/77/99/47/618779947.db2.gz VUVYUHXVJTZRKP-UHFFFAOYSA-N 0 0 271.316 3.275 20 10 CGCDRN Cc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1C ZINC000179381164 618780608 /nfs/dbraw/zinc/78/06/08/618780608.db2.gz TUYBQYNITORSHH-UHFFFAOYSA-N 0 0 271.316 3.275 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc(F)c2C)c(O)c1O ZINC000179532201 618794487 /nfs/dbraw/zinc/79/44/87/618794487.db2.gz QHPQBSNIJGJDJA-UHFFFAOYSA-N 0 0 275.279 3.106 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(F)cc1[O-] ZINC000310544429 618799463 /nfs/dbraw/zinc/79/94/63/618799463.db2.gz DFBJOXPBWULMLD-SBMIAAHKSA-N 0 0 255.358 3.076 20 10 CGCDRN CCC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000177711906 618836470 /nfs/dbraw/zinc/83/64/70/618836470.db2.gz ZSNSURIHLSDRNY-UHFFFAOYSA-N 0 0 284.743 3.376 20 10 CGCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000892840564 618942908 /nfs/dbraw/zinc/94/29/08/618942908.db2.gz QCKRBROALNOFIN-JOYOIKCWSA-N 0 0 282.771 3.033 20 10 CGCDRN CC1(C)SC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000309831443 618972938 /nfs/dbraw/zinc/97/29/38/618972938.db2.gz YPXCLCWEHBSUHP-LLVKDONJSA-N 0 0 257.786 3.029 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2ccc(C)c(C)c2)nc1 ZINC000843281270 619008860 /nfs/dbraw/zinc/00/88/60/619008860.db2.gz PHMPPZIINHOWAS-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCCCC1 ZINC000183463278 619044699 /nfs/dbraw/zinc/04/46/99/619044699.db2.gz AOXDZYNVZQLVAM-GFCCVEGCSA-N 0 0 291.391 3.115 20 10 CGCDRN Cc1ccc(CN2CCOc3cc(N(C)C)ccc32)c(C)n1 ZINC000187369055 619076800 /nfs/dbraw/zinc/07/68/00/619076800.db2.gz XQGJLYYJTGBJGT-UHFFFAOYSA-N 0 0 297.402 3.163 20 10 CGCDRN CC[C@H](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000189553462 619093668 /nfs/dbraw/zinc/09/36/68/619093668.db2.gz DJJPNSKYCFGETM-QWRGUYRKSA-N 0 0 265.353 3.014 20 10 CGCDRN CCN(Cc1cnn(C)c1)Cc1c(O)cc(C)cc1Cl ZINC000840911460 619120385 /nfs/dbraw/zinc/12/03/85/619120385.db2.gz BOZWJUNWNKJGSQ-UHFFFAOYSA-N 0 0 293.798 3.110 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)c1ccccc1 ZINC000194408140 619139934 /nfs/dbraw/zinc/13/99/34/619139934.db2.gz LLAPSGSISBFOJW-UHFFFAOYSA-N 0 0 297.354 3.014 20 10 CGCDRN Cc1cc(NCc2ccc(N(C)C)cc2)ccc1N ZINC000219205428 619243095 /nfs/dbraw/zinc/24/30/95/619243095.db2.gz FWHLWEUIZASTLE-UHFFFAOYSA-N 0 0 255.365 3.255 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c(Cl)c1 ZINC000840950195 619252631 /nfs/dbraw/zinc/25/26/31/619252631.db2.gz GOVONUALMMGUTF-LBPRGKRZSA-N 0 0 297.826 3.337 20 10 CGCDRN C[C@@H](NCc1nccn1C1CC1)c1ccc(N(C)C)cc1 ZINC000893684095 619278707 /nfs/dbraw/zinc/27/87/07/619278707.db2.gz ORIZKLCYOYURQX-CYBMUJFWSA-N 0 0 284.407 3.135 20 10 CGCDRN COCc1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000894574527 619579729 /nfs/dbraw/zinc/57/97/29/619579729.db2.gz VHZWEPXJWLYYGC-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN COc1cc(C)cc(CN2CCOCc3ccccc32)c1O ZINC000894790095 619633002 /nfs/dbraw/zinc/63/30/02/619633002.db2.gz OCOBZCAAYJNNDA-UHFFFAOYSA-N 0 0 299.370 3.246 20 10 CGCDRN Oc1cccc2c1CN(c1cc(C3CC3)nc(C3CC3)n1)C2 ZINC000894991185 619692386 /nfs/dbraw/zinc/69/23/86/619692386.db2.gz NBJVKNNXRWIVRR-UHFFFAOYSA-N 0 0 293.370 3.457 20 10 CGCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C2CC2)O1 ZINC000793220131 619706716 /nfs/dbraw/zinc/70/67/16/619706716.db2.gz RATWOMGDYVSWBN-ZUZCIYMTSA-N 0 0 281.783 3.045 20 10 CGCDRN CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185527880 625370009 /nfs/dbraw/zinc/37/00/09/625370009.db2.gz OPUXDWUKNPKDCE-WBMJQRKESA-N 0 0 283.387 3.369 20 10 CGCDRN Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185544957 625374306 /nfs/dbraw/zinc/37/43/06/625374306.db2.gz XXTPGGNFNGGZQB-LBPRGKRZSA-N 0 0 291.370 3.167 20 10 CGCDRN CCCCn1ncc(NC(=O)Nc2ccc(N)cc2)c1C ZINC000841298629 619835232 /nfs/dbraw/zinc/83/52/32/619835232.db2.gz RHSWHTCTOPBJJU-UHFFFAOYSA-N 0 0 287.367 3.218 20 10 CGCDRN C[C@@H](C1CC1)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895605384 619859689 /nfs/dbraw/zinc/85/96/89/619859689.db2.gz RJFVIAKAKANCCI-QMMMGPOBSA-N 0 0 291.372 3.183 20 10 CGCDRN Cc1cccc(O)c1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000896422093 620006992 /nfs/dbraw/zinc/00/69/92/620006992.db2.gz HOBMKUCEEQWIQA-RHSMWYFYSA-N 0 0 287.334 3.262 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896532305 620022904 /nfs/dbraw/zinc/02/29/04/620022904.db2.gz UEYRSGMEEZZWRI-ZDUSSCGKSA-N 0 0 288.416 3.303 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1c([O-])cccc1F ZINC000896637642 620041397 /nfs/dbraw/zinc/04/13/97/620041397.db2.gz KZVTWFOJHWWUGD-UHFFFAOYSA-N 0 0 288.366 3.196 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)ccc(F)c1F ZINC000896917499 620100025 /nfs/dbraw/zinc/10/00/25/620100025.db2.gz BUTOUTAFMPIAPO-LBPRGKRZSA-N 0 0 297.345 3.252 20 10 CGCDRN CC(C)c1occc1C(=O)NCc1c(O)cccc1F ZINC000928708518 620207908 /nfs/dbraw/zinc/20/79/08/620207908.db2.gz NJZIJZVOBORGIS-UHFFFAOYSA-N 0 0 277.295 3.178 20 10 CGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCCC2(CC2)C1 ZINC000928708191 620208023 /nfs/dbraw/zinc/20/80/23/620208023.db2.gz AYLOYUCKLRSDDW-LLVKDONJSA-N 0 0 277.339 3.118 20 10 CGCDRN Cc1ccc(SCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000034980681 620210425 /nfs/dbraw/zinc/21/04/25/620210425.db2.gz ODYWGFHOORCHSI-UHFFFAOYSA-N 0 0 274.341 3.381 20 10 CGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C[C@H]1C ZINC000252782768 620375494 /nfs/dbraw/zinc/37/54/94/620375494.db2.gz VZYYZRQMINAAEC-WZRBSPASSA-N 0 0 251.345 3.446 20 10 CGCDRN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1O ZINC000148640106 620404427 /nfs/dbraw/zinc/40/44/27/620404427.db2.gz ZHLYYKUPMVRGOL-UHFFFAOYSA-N 0 0 297.763 3.155 20 10 CGCDRN O=C(N[C@@H]1CCCC2(CC2)C1)N1Cc2cccc(O)c2C1 ZINC000897762841 620424515 /nfs/dbraw/zinc/42/45/15/620424515.db2.gz RASPFUCOVUMYFU-CYBMUJFWSA-N 0 0 286.375 3.140 20 10 CGCDRN O=C(CSc1nccs1)c1ccccc1F ZINC000040677267 620543478 /nfs/dbraw/zinc/54/34/78/620543478.db2.gz SVIPOZZLBSQZFC-UHFFFAOYSA-N 0 0 253.323 3.257 20 10 CGCDRN O=C(CSc1nccs1)c1ccc(F)cc1 ZINC000041043345 620551798 /nfs/dbraw/zinc/55/17/98/620551798.db2.gz WPXQXJGTYBKVAU-UHFFFAOYSA-N 0 0 253.323 3.257 20 10 CGCDRN CC(C)c1ncc(NCc2cc(F)cc(F)c2O)cn1 ZINC000902249518 621220720 /nfs/dbraw/zinc/22/07/20/621220720.db2.gz PVOBMLFSEIUPGU-UHFFFAOYSA-N 0 0 279.290 3.196 20 10 CGCDRN COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000903330132 621704743 /nfs/dbraw/zinc/70/47/43/621704743.db2.gz HRMVESRCHRCLEN-RKDXNWHRSA-N 0 0 273.323 3.135 20 10 CGCDRN C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903393850 621719599 /nfs/dbraw/zinc/71/95/99/621719599.db2.gz URSWOILFMMDUHA-LWINAJNOSA-N 0 0 290.190 3.385 20 10 CGCDRN CC1(C)SC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000802660943 622332460 /nfs/dbraw/zinc/33/24/60/622332460.db2.gz AAIVMUWZUPZEJP-SNVBAGLBSA-N 0 0 275.776 3.168 20 10 CGCDRN CC(=O)C(=O)COC(=O)c1csc(C2CCCCC2)c1 ZINC000910061835 622457674 /nfs/dbraw/zinc/45/76/74/622457674.db2.gz FTTANFWYQXSCIM-UHFFFAOYSA-N 0 0 294.372 3.111 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C1(C2CC2)CCC1 ZINC000911897155 622563304 /nfs/dbraw/zinc/56/33/04/622563304.db2.gz GWGBLPYKZJOQNH-UHFFFAOYSA-N 0 0 279.767 3.242 20 10 CGCDRN CCOc1ccc(N(C)Cc2nc(-c3ccco3)no2)cc1 ZINC000150733689 622658356 /nfs/dbraw/zinc/65/83/56/622658356.db2.gz RRYKSQXUHPQAOR-UHFFFAOYSA-N 0 0 299.330 3.365 20 10 CGCDRN CCC(=CC(=O)NCc1ccc(N(C)C)cc1)CC ZINC000164481602 622837092 /nfs/dbraw/zinc/83/70/92/622837092.db2.gz IDPKRNPBWKGEAV-UHFFFAOYSA-N 0 0 260.381 3.115 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(-n2cccn2)cc1 ZINC000226580622 622983969 /nfs/dbraw/zinc/98/39/69/622983969.db2.gz MANJITCPZWSEFT-UHFFFAOYSA-N 0 0 283.306 3.329 20 10 CGCDRN CCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000157947525 622989448 /nfs/dbraw/zinc/98/94/48/622989448.db2.gz UGXVYYPNKUODKY-UHFFFAOYSA-N 0 0 292.398 3.478 20 10 CGCDRN CC(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227442259 623019103 /nfs/dbraw/zinc/01/91/03/623019103.db2.gz OAMYOSQOYGWYFU-LLVKDONJSA-N 0 0 292.206 3.196 20 10 CGCDRN Oc1c(Br)cccc1CNc1cccc(F)n1 ZINC000228295405 623051098 /nfs/dbraw/zinc/05/10/98/623051098.db2.gz GFXGDENWWPWPJH-UHFFFAOYSA-N 0 0 297.127 3.301 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087778552 623207570 /nfs/dbraw/zinc/20/75/70/623207570.db2.gz ZHBIACJEBRXKSN-RISCZKNCSA-N 0 0 259.353 3.065 20 10 CGCDRN C[C@H](Nc1ccc2c(c1)OCO2)c1ccc(F)cc1O ZINC000062744956 623265110 /nfs/dbraw/zinc/26/51/10/623265110.db2.gz QMKUSSMQMVBYIY-VIFPVBQESA-N 0 0 275.279 3.433 20 10 CGCDRN Cc1nc(CNCc2c(O)cccc2Cl)cs1 ZINC000083552043 625646593 /nfs/dbraw/zinc/64/65/93/625646593.db2.gz LZCUWWSTMMRPOL-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN CC1(C)COC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000313025692 623626456 /nfs/dbraw/zinc/62/64/56/623626456.db2.gz HUKVCWOXGZOSQE-LLVKDONJSA-N 0 0 290.190 3.214 20 10 CGCDRN C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccccc2O)C1 ZINC000152404053 623652275 /nfs/dbraw/zinc/65/22/75/623652275.db2.gz ZBHLKDFZKVIBMJ-CXAGYDPISA-N 0 0 277.408 3.059 20 10 CGCDRN Cc1ccc(-c2nnc(Sc3nccs3)n2C)cc1 ZINC000914862404 623869223 /nfs/dbraw/zinc/86/92/23/623869223.db2.gz BSUOSUOXIJUBCM-UHFFFAOYSA-N 0 0 288.401 3.398 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2CCCCC2)cc1 ZINC000917999594 624327346 /nfs/dbraw/zinc/32/73/46/624327346.db2.gz XATRAMPEAXETOJ-UHFFFAOYSA-N 0 0 289.423 3.228 20 10 CGCDRN CCC(C)(C)NC(=O)NCCCSc1nccs1 ZINC000154624279 624328939 /nfs/dbraw/zinc/32/89/39/624328939.db2.gz PDCYJEOXIYNVFS-UHFFFAOYSA-N 0 0 287.454 3.113 20 10 CGCDRN CC[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154660898 624340903 /nfs/dbraw/zinc/34/09/03/624340903.db2.gz QMVCHPZYJWDWOA-LLVKDONJSA-N 0 0 299.465 3.067 20 10 CGCDRN COCCCOC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000918528520 624360670 /nfs/dbraw/zinc/36/06/70/624360670.db2.gz MAZXDPSOMBTGBB-UHFFFAOYSA-N 0 0 287.359 3.287 20 10 CGCDRN O=C1N[C@@H](c2cc(F)ccc2O)Nc2ccc(Cl)cc21 ZINC000920406550 624490813 /nfs/dbraw/zinc/49/08/13/624490813.db2.gz SCMHJZYVMALJRQ-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC2(Cl)Cl)cc1OC ZINC000920780926 624535776 /nfs/dbraw/zinc/53/57/76/624535776.db2.gz FLORDRREPKNMNG-VIFPVBQESA-N 0 0 290.190 3.334 20 10 CGCDRN CCC[C@@H](CC)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000170880060 624728735 /nfs/dbraw/zinc/72/87/35/624728735.db2.gz RNMIJQFXELDINC-NWDGAFQWSA-N 0 0 294.395 3.340 20 10 CGCDRN CCC(CC)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000069717305 624892258 /nfs/dbraw/zinc/89/22/58/624892258.db2.gz IZZSEHOFWWUUQA-UHFFFAOYSA-N 0 0 289.423 3.057 20 10 CGCDRN CO[C@H](C)CN1CCCc2cc(OC(F)F)ccc21 ZINC000182283908 624978876 /nfs/dbraw/zinc/97/88/76/624978876.db2.gz UUHLXGHRVHSYBO-SNVBAGLBSA-N 0 0 271.307 3.076 20 10 CGCDRN Cc1cccnc1CNC(=S)Nc1ccccc1F ZINC000243609955 625011501 /nfs/dbraw/zinc/01/15/01/625011501.db2.gz OXSCVLXETMOTKU-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756355992 625898894 /nfs/dbraw/zinc/89/88/94/625898894.db2.gz YFONVNXGYWQIIW-ZUZCIYMTSA-N 0 0 293.313 3.055 20 10 CGCDRN COc1cccc(CNc2cnn(C3CCCC3)c2)c1O ZINC000922625288 626022434 /nfs/dbraw/zinc/02/24/34/626022434.db2.gz LZXFIDQVXOVZPD-UHFFFAOYSA-N 0 0 287.363 3.325 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccnc1 ZINC000124678647 634479376 /nfs/dbraw/zinc/47/93/76/634479376.db2.gz OXDFHIFPRWBHOP-SNVBAGLBSA-N 0 0 262.740 3.291 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000838744314 626247698 /nfs/dbraw/zinc/24/76/98/626247698.db2.gz OEZNQJJFWAZSQC-INIZCTEOSA-N 0 0 288.391 3.112 20 10 CGCDRN CCOc1ccc(O)c(CN2Cc3cccc(F)c3C2)c1 ZINC000839183879 626326865 /nfs/dbraw/zinc/32/68/65/626326865.db2.gz PJJNYHKJCNZWHE-UHFFFAOYSA-N 0 0 287.334 3.446 20 10 CGCDRN Cc1ccc(O)c(CN2Cc3cccc(F)c3C2)c1 ZINC000839184809 626326931 /nfs/dbraw/zinc/32/69/31/626326931.db2.gz YLIUJXVMZLTNRW-UHFFFAOYSA-N 0 0 257.308 3.356 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C(C)=C(C)C ZINC000751199807 626379927 /nfs/dbraw/zinc/37/99/27/626379927.db2.gz KKVVNIHLPBGRJA-UHFFFAOYSA-N 0 0 261.365 3.487 20 10 CGCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1F ZINC000751530324 626394570 /nfs/dbraw/zinc/39/45/70/626394570.db2.gz LCNMYDOSCRPZPI-UHFFFAOYSA-N 0 0 275.279 3.106 20 10 CGCDRN Cc1cc(C(=O)NCC2(C)CC2)c(C)n1-c1ccccn1 ZINC000752467427 626428474 /nfs/dbraw/zinc/42/84/74/626428474.db2.gz QBERKAQJKKODLR-UHFFFAOYSA-N 0 0 283.375 3.019 20 10 CGCDRN CCC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874011508 634504195 /nfs/dbraw/zinc/50/41/95/634504195.db2.gz PHPAMGCAAYNOMY-SNVBAGLBSA-N 0 0 276.340 3.110 20 10 CGCDRN COc1ccc(N(CC[C@@H]2CCOC2=O)CC(C)C)cc1 ZINC000753844693 626467610 /nfs/dbraw/zinc/46/76/10/626467610.db2.gz WHPNFUDOVFBJLK-CQSZACIVSA-N 0 0 291.391 3.111 20 10 CGCDRN C[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000754155968 626561200 /nfs/dbraw/zinc/56/12/00/626561200.db2.gz NWKMGWFQFHHYQW-JTQLQIEISA-N 0 0 269.772 3.045 20 10 CGCDRN Cc1nc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000756391271 626700551 /nfs/dbraw/zinc/70/05/51/626700551.db2.gz BNVSVLKEDXDTSW-MRVPVSSYSA-N 0 0 298.358 3.329 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2nccc(C)n2)cc1 ZINC000756481623 626708655 /nfs/dbraw/zinc/70/86/55/626708655.db2.gz LSSQDTBUMPPSQK-UHFFFAOYSA-N 0 0 298.434 3.263 20 10 CGCDRN Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(F)cc3[O-])nc2c1 ZINC000756534690 626713344 /nfs/dbraw/zinc/71/33/44/626713344.db2.gz MRXKQZCYFOHXJY-GFCCVEGCSA-N 0 0 299.349 3.338 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756619720 626721442 /nfs/dbraw/zinc/72/14/42/626721442.db2.gz XYLIJSOTJYPPCJ-GHMZBOCLSA-N 0 0 287.350 3.120 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000756630379 626721695 /nfs/dbraw/zinc/72/16/95/626721695.db2.gz VHGDJQONBDOUJI-XHDPSFHLSA-N 0 0 281.371 3.387 20 10 CGCDRN CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000756628774 626722021 /nfs/dbraw/zinc/72/20/21/626722021.db2.gz XMVXXVZTDBLESK-DRZCJDIDSA-N 0 0 281.371 3.386 20 10 CGCDRN CSC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756629232 626722263 /nfs/dbraw/zinc/72/22/63/626722263.db2.gz ZYSKJJLYWOVIAC-MRVPVSSYSA-N 0 0 275.364 3.463 20 10 CGCDRN CN(Cc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000756643684 626724117 /nfs/dbraw/zinc/72/41/17/626724117.db2.gz FOOMZBLVJNLMSG-UHFFFAOYSA-N 0 0 259.280 3.191 20 10 CGCDRN CCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756740534 626729087 /nfs/dbraw/zinc/72/90/87/626729087.db2.gz YZPMOEMSJXHUGV-JTQLQIEISA-N 0 0 264.325 3.141 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(F)cc(F)c1[O-] ZINC000756757908 626729447 /nfs/dbraw/zinc/72/94/47/626729447.db2.gz DQYSFCRZYKIOGM-AMIZOPFISA-N 0 0 293.317 3.122 20 10 CGCDRN CCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756758139 626729732 /nfs/dbraw/zinc/72/97/32/626729732.db2.gz RZEMWXQAPYXHGV-LBPRGKRZSA-N 0 0 291.391 3.410 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756789448 626732285 /nfs/dbraw/zinc/73/22/85/626732285.db2.gz HJZSWOZGSHDUCR-WCBMZHEXSA-N 0 0 275.364 3.463 20 10 CGCDRN Cc1c(N[C@@H](C)c2ccc(C)c(C)c2O)cnn1C ZINC000756874175 626739144 /nfs/dbraw/zinc/73/91/44/626739144.db2.gz PCPISHALBJMBFV-NSHDSACASA-N 0 0 259.353 3.224 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1cscn1)CCC2 ZINC000839655992 626770654 /nfs/dbraw/zinc/77/06/54/626770654.db2.gz YBBSMTBHGGWLHM-UHFFFAOYSA-N 0 0 290.388 3.113 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CC[C@H]1CCCO1)CCC2 ZINC000839656831 626770867 /nfs/dbraw/zinc/77/08/67/626770867.db2.gz TZCBBJCIKVHAGC-CQSZACIVSA-N 0 0 291.391 3.026 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1cccnc1C)CCC2 ZINC000839656842 626770939 /nfs/dbraw/zinc/77/09/39/626770939.db2.gz UEXIMKLSSJWQAN-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN CCOc1cc(C)ccc1CNC(=O)C1=CC(=O)CS1 ZINC000757423223 626775923 /nfs/dbraw/zinc/77/59/23/626775923.db2.gz CGBRYRYOYGYPKI-UHFFFAOYSA-N 0 0 291.372 3.091 20 10 CGCDRN CNc1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000839728304 626783359 /nfs/dbraw/zinc/78/33/59/626783359.db2.gz JXCTXPUIXVEDNE-ZDUSSCGKSA-N 0 0 297.402 3.285 20 10 CGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1ccccc1F ZINC000758560427 626849288 /nfs/dbraw/zinc/84/92/88/626849288.db2.gz KVYRVFMZJZNMLD-VIFPVBQESA-N 0 0 276.263 3.155 20 10 CGCDRN COc1cccc(CNC(=O)c2cc(Cl)cs2)c1O ZINC000760455488 626971346 /nfs/dbraw/zinc/97/13/46/626971346.db2.gz SKLPBJIOQAXPLI-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CC(C)=C(C)CC(=O)NCCCSc1nccs1 ZINC000874464887 634546327 /nfs/dbraw/zinc/54/63/27/634546327.db2.gz MOJNIKKRJVNAIB-UHFFFAOYSA-N 0 0 284.450 3.488 20 10 CGCDRN Cc1cccc(CNc2ccccc2C[S@@](C)=O)c1O ZINC000762790222 627124451 /nfs/dbraw/zinc/12/44/51/627124451.db2.gz ASPXCBJVSJSGGC-HXUWFJFHSA-N 0 0 289.400 3.191 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1sccc1[N+](=O)[O-] ZINC000762800941 627124776 /nfs/dbraw/zinc/12/47/76/627124776.db2.gz ZHZAXYNAOARNAC-QMMMGPOBSA-N 0 0 294.332 3.111 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1scnc1C1CC1 ZINC000762976553 627134073 /nfs/dbraw/zinc/13/40/73/627134073.db2.gz KLTLTBVYWARUDY-UHFFFAOYSA-N 0 0 289.360 3.048 20 10 CGCDRN Cc1cnc(NCc2c(O)ccc3c2CCCC3)nc1C ZINC000764158035 627197531 /nfs/dbraw/zinc/19/75/31/627197531.db2.gz XFMXZFAKNZVQEW-UHFFFAOYSA-N 0 0 283.375 3.290 20 10 CGCDRN CCCc1nnc(Sc2ncc(Cl)s2)o1 ZINC000765057261 627238728 /nfs/dbraw/zinc/23/87/28/627238728.db2.gz ZWWQGSICCJPGTD-UHFFFAOYSA-N 0 0 261.759 3.283 20 10 CGCDRN C/C=C/COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000765509168 627254884 /nfs/dbraw/zinc/25/48/84/627254884.db2.gz QJEVKKDIEWZWSV-NSCUHMNNSA-N 0 0 288.372 3.049 20 10 CGCDRN Cc1nc(C(C)(C)NC(=O)C2=CC(=O)CS2)sc1C ZINC000839798552 627269016 /nfs/dbraw/zinc/26/90/16/627269016.db2.gz GYMFEIWEVJTEKV-UHFFFAOYSA-N 0 0 296.417 3.192 20 10 CGCDRN Cc1cc(Cl)ncc1NC(=O)NCc1ccccc1O ZINC000766243621 627306760 /nfs/dbraw/zinc/30/67/60/627306760.db2.gz LYLXAWXBYNUXGJ-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc(C)cn1 ZINC000766269082 627308927 /nfs/dbraw/zinc/30/89/27/627308927.db2.gz IQEPOEMREXAXOK-UHFFFAOYSA-N 0 0 283.375 3.137 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000768138547 627462994 /nfs/dbraw/zinc/46/29/94/627462994.db2.gz OQQJYIOUHUNQHC-VIFPVBQESA-N 0 0 284.743 3.186 20 10 CGCDRN CCC/C=C\C(=O)N(CCC)Cc1ccccc1O ZINC000769293121 627536988 /nfs/dbraw/zinc/53/69/88/627536988.db2.gz UZBRMQQZOAQMBJ-WDZFZDKYSA-N 0 0 261.365 3.487 20 10 CGCDRN Cc1ccc(/C=C/CC(=O)NCc2ccccc2O)cc1 ZINC000769365190 627545194 /nfs/dbraw/zinc/54/51/94/627545194.db2.gz NXFOAVSCAGTHND-SNAWJCMRSA-N 0 0 281.355 3.420 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000769990661 627595522 /nfs/dbraw/zinc/59/55/22/627595522.db2.gz VVJYNLWLVMLXEA-AMIZOPFISA-N 0 0 299.342 3.116 20 10 CGCDRN C[C@H](Nc1cnn(C)c1C1CC1)c1ccccc1O ZINC000769990234 627595778 /nfs/dbraw/zinc/59/57/78/627595778.db2.gz QNMYPLJSUCFOOJ-JTQLQIEISA-N 0 0 257.337 3.176 20 10 CGCDRN C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770310677 627612651 /nfs/dbraw/zinc/61/26/51/627612651.db2.gz KMCYWEJCJKQEIM-DTORHVGOSA-N 0 0 284.743 3.327 20 10 CGCDRN CCC(CC)(CC)NC(=O)c1ccc(C)c(O)c1O ZINC000770501191 627622479 /nfs/dbraw/zinc/62/24/79/627622479.db2.gz CZUVHNFGTSQQNT-UHFFFAOYSA-N 0 0 265.353 3.105 20 10 CGCDRN C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000770506227 627623746 /nfs/dbraw/zinc/62/37/46/627623746.db2.gz ZNHMRJKMHOALJP-UGSOOPFHSA-N 0 0 283.371 3.216 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)[C@H](COC)Cc1ccccc1 ZINC000770506198 627623862 /nfs/dbraw/zinc/62/38/62/627623862.db2.gz YFRHWLUWWQYUEA-SFHVURJKSA-N 0 0 299.414 3.472 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2(F)CCCC2)cc1 ZINC000771926598 627745760 /nfs/dbraw/zinc/74/57/60/627745760.db2.gz BOSODJDTEMFZIC-UHFFFAOYSA-N 0 0 292.398 3.431 20 10 CGCDRN Cc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000772769701 627820344 /nfs/dbraw/zinc/82/03/44/627820344.db2.gz PRYUBXUIKJSODP-CLFYSBASSA-N 0 0 284.311 3.163 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000773017611 627843356 /nfs/dbraw/zinc/84/33/56/627843356.db2.gz HRCZYRSMUDDBEG-ZDUSSCGKSA-N 0 0 297.402 3.255 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773273716 627870626 /nfs/dbraw/zinc/87/06/26/627870626.db2.gz PCWHWSCGSWEPCS-XEZPLFJOSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000773294224 627871868 /nfs/dbraw/zinc/87/18/68/627871868.db2.gz RWEBGUCVIMFEQH-OCCSQVGLSA-N 0 0 289.423 3.159 20 10 CGCDRN CCC(CC)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773763353 627913031 /nfs/dbraw/zinc/91/30/31/627913031.db2.gz UIVVTCRTPPTMAU-RYUDHWBXSA-N 0 0 293.407 3.217 20 10 CGCDRN COC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774095107 627943724 /nfs/dbraw/zinc/94/37/24/627943724.db2.gz BRRHPJPYLLNTLD-YUMQZZPRSA-N 0 0 278.179 3.385 20 10 CGCDRN C/C(=C\c1ccc(N2CCOCC2)c(F)c1)c1cnccn1 ZINC000774130370 627948948 /nfs/dbraw/zinc/94/89/48/627948948.db2.gz MQNHHFJPTBIZCI-JLHYYAGUSA-N 0 0 299.349 3.013 20 10 CGCDRN Cc1nc(CN[C@H](C)c2ccccc2O)nc2ccccc12 ZINC000775128413 628066215 /nfs/dbraw/zinc/06/62/15/628066215.db2.gz BUZRGBJLKKGACY-GFCCVEGCSA-N 0 0 293.370 3.495 20 10 CGCDRN Cc1nc(CN[C@@H](C)c2ccccc2O)nc2ccccc12 ZINC000775128414 628066283 /nfs/dbraw/zinc/06/62/83/628066283.db2.gz BUZRGBJLKKGACY-LBPRGKRZSA-N 0 0 293.370 3.495 20 10 CGCDRN C[C@H]1C[NH+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775706795 628127245 /nfs/dbraw/zinc/12/72/45/628127245.db2.gz DMOVULRLISRBEP-IUCAKERBSA-N 0 0 257.736 3.273 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCOC(C)(C)[C@@H]2C)c1O ZINC000775707386 628127630 /nfs/dbraw/zinc/12/76/30/628127630.db2.gz HHTJAMWHQHXQQM-NSHDSACASA-N 0 0 283.799 3.353 20 10 CGCDRN C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775716367 628128319 /nfs/dbraw/zinc/12/83/19/628128319.db2.gz VGYWPIXSBQIRRC-BDAKNGLRSA-N 0 0 257.736 3.415 20 10 CGCDRN Cc1cccc(CNc2cccc([S@@](C)=O)c2)c1O ZINC000775755094 628133602 /nfs/dbraw/zinc/13/36/02/628133602.db2.gz FMHXYXKIYXTHTJ-LJQANCHMSA-N 0 0 275.373 3.050 20 10 CGCDRN CC(C)c1nnc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775834291 628140623 /nfs/dbraw/zinc/14/06/23/628140623.db2.gz QHEGMBXRIPBVEF-LBPRGKRZSA-N 0 0 288.395 3.110 20 10 CGCDRN Cc1cccc(CNc2ccc(N3CCCC3)cn2)c1O ZINC000776036798 628160380 /nfs/dbraw/zinc/16/03/80/628160380.db2.gz ZVUHEPCVTGDROE-UHFFFAOYSA-N 0 0 283.375 3.308 20 10 CGCDRN CC(C)[C@@H]1CCN1C(=O)NCCCSc1nccs1 ZINC000776054874 628160979 /nfs/dbraw/zinc/16/09/79/628160979.db2.gz ZYKKWJGMZGPYBI-NSHDSACASA-N 0 0 299.465 3.065 20 10 CGCDRN CC(C)N(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776238192 628183788 /nfs/dbraw/zinc/18/37/88/628183788.db2.gz LQBXROTZNDBWRC-CYBMUJFWSA-N 0 0 289.423 3.396 20 10 CGCDRN CCOc1ccc(CNc2ccc3c(c2)COC3)c(O)c1 ZINC000776252805 628184749 /nfs/dbraw/zinc/18/47/49/628184749.db2.gz ZCHVFSDDPLHEJT-UHFFFAOYSA-N 0 0 285.343 3.433 20 10 CGCDRN Cc1ccc2c(c1)O[C@H](C)CN2Cc1ccccc1O ZINC000776523285 628216220 /nfs/dbraw/zinc/21/62/20/628216220.db2.gz BLNQCBUPFOBZHO-CYBMUJFWSA-N 0 0 269.344 3.488 20 10 CGCDRN Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc(O)c2O)c1 ZINC000776664854 628224534 /nfs/dbraw/zinc/22/45/34/628224534.db2.gz QJEPLFZCTMTVEG-ZDUSSCGKSA-N 0 0 299.370 3.076 20 10 CGCDRN Cc1ccc(C(=O)OCc2ccc(CF)cc2)c(O)c1O ZINC000777075180 628248084 /nfs/dbraw/zinc/24/80/84/628248084.db2.gz JSWOOHCMQPKBQW-UHFFFAOYSA-N 0 0 290.290 3.233 20 10 CGCDRN CCC(CC)[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCO1 ZINC000778513447 628353552 /nfs/dbraw/zinc/35/35/52/628353552.db2.gz BJWYMBCTCIRJNP-WCQYABFASA-N 0 0 297.420 3.167 20 10 CGCDRN O=C1N[C@@H](c2cccc(F)c2O)Nc2ccc(Cl)cc21 ZINC000778524439 628353934 /nfs/dbraw/zinc/35/39/34/628353934.db2.gz IOSIIHGDHICJBD-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN CN1CCC[C@H](Sc2ncc(C(C)(C)C)s2)C1=O ZINC000778556356 628357249 /nfs/dbraw/zinc/35/72/49/628357249.db2.gz KVURVXYHUJVPIE-VIFPVBQESA-N 0 0 284.450 3.154 20 10 CGCDRN Cc1cccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779498564 628415538 /nfs/dbraw/zinc/41/55/38/628415538.db2.gz JIUGJOAQBLZOQU-CLFYSBASSA-N 0 0 297.354 3.078 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C2CCCC1CCC2 ZINC000779523915 628416574 /nfs/dbraw/zinc/41/65/74/628416574.db2.gz GMXFSZMRCDHMRV-NTMALXAHSA-N 0 0 287.359 3.045 20 10 CGCDRN Cc1cccc(C)c1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779533663 628416583 /nfs/dbraw/zinc/41/65/83/628416583.db2.gz KXWUPRLOUPVVBD-CLFYSBASSA-N 0 0 297.354 3.044 20 10 CGCDRN CCn1nc(C)c(CN2CCCc3cc(OC)ccc32)c1C ZINC000780766694 628515904 /nfs/dbraw/zinc/51/59/04/628515904.db2.gz KQSTVWSNQFYYEV-UHFFFAOYSA-N 0 0 299.418 3.481 20 10 CGCDRN COc1ccc(O)c(CN2CCCc3cc(OC)ccc32)c1 ZINC000780766115 628515931 /nfs/dbraw/zinc/51/59/31/628515931.db2.gz GPVNMHGCKRRRSG-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN Cc1cc(CN(C)c2ccc3c(c2)OCO3)c(C)o1 ZINC000780778200 628516300 /nfs/dbraw/zinc/51/63/00/628516300.db2.gz FTTAVBOHBYFVFB-UHFFFAOYSA-N 0 0 259.305 3.262 20 10 CGCDRN CC[C@H]1C[C@H](CN(C)c2ccc3c(c2)OCO3)CCO1 ZINC000780778729 628516732 /nfs/dbraw/zinc/51/67/32/628516732.db2.gz QORYESDHJYOWAQ-OCCSQVGLSA-N 0 0 277.364 3.057 20 10 CGCDRN Cc1ccc(C(=O)N2CCCC[C@H]2C(C)C)c(O)c1O ZINC000780945727 628525797 /nfs/dbraw/zinc/52/57/97/628525797.db2.gz NTUQJDOVSNLEQP-ZDUSSCGKSA-N 0 0 277.364 3.057 20 10 CGCDRN C[C@@H](NC(=O)NCC1CCCCC1)c1ccccc1O ZINC000874980337 634666962 /nfs/dbraw/zinc/66/69/62/634666962.db2.gz DUZGDFBQGXMDQB-GFCCVEGCSA-N 0 0 276.380 3.333 20 10 CGCDRN CC(C)[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000781793618 628594145 /nfs/dbraw/zinc/59/41/45/628594145.db2.gz AWRPRRDFEMTAAX-QPBFKRLHSA-N 0 0 289.375 3.006 20 10 CGCDRN CCc1ccccc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000782296036 628635460 /nfs/dbraw/zinc/63/54/60/628635460.db2.gz NBHKKORHKGGNGN-NTMALXAHSA-N 0 0 298.338 3.417 20 10 CGCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)c1ccncc1 ZINC000875311072 634690047 /nfs/dbraw/zinc/69/00/47/634690047.db2.gz SFDKMRPVHZDRLN-HNNXBMFYSA-N 0 0 299.374 3.046 20 10 CGCDRN C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000785987198 628906052 /nfs/dbraw/zinc/90/60/52/628906052.db2.gz GCTGUIMZSWSXML-JTNHKYCSSA-N 0 0 283.799 3.027 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2occc2C(C)C)c1 ZINC000786409600 628930915 /nfs/dbraw/zinc/93/09/15/628930915.db2.gz NUXKLPSIDJSYPY-UHFFFAOYSA-N 0 0 289.331 3.047 20 10 CGCDRN COC(=O)c1cc(NCc2ccccc2O)c(C)cc1C ZINC000788268830 629044243 /nfs/dbraw/zinc/04/42/43/629044243.db2.gz JYWCPYLTMOROFK-UHFFFAOYSA-N 0 0 285.343 3.408 20 10 CGCDRN Oc1ccccc1CN1CCOc2c(Cl)cccc21 ZINC000788433829 629052151 /nfs/dbraw/zinc/05/21/51/629052151.db2.gz VKCIEHDLIOYAIN-UHFFFAOYSA-N 0 0 275.735 3.445 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590341 629066627 /nfs/dbraw/zinc/06/66/27/629066627.db2.gz VMCRROFKBQMWOQ-VHSXEESVSA-N 0 0 290.329 3.012 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788787097 629082218 /nfs/dbraw/zinc/08/22/18/629082218.db2.gz YNEZERRXBRSTSP-ZJUUUORDSA-N 0 0 289.297 3.241 20 10 CGCDRN C/C=C(\CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000788864326 629087160 /nfs/dbraw/zinc/08/71/60/629087160.db2.gz VSJFJXJZYKTWFJ-AWNIVKPZSA-N 0 0 260.381 3.034 20 10 CGCDRN C/C=C(/CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000788963306 629092126 /nfs/dbraw/zinc/09/21/26/629092126.db2.gz GXNMNXFXWFETIQ-CHDKLRHSSA-N 0 0 260.381 3.286 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc(C)c2)cc1 ZINC000789898687 629172846 /nfs/dbraw/zinc/17/28/46/629172846.db2.gz MCSJABYOZLIXIF-UHFFFAOYSA-N 0 0 297.402 3.166 20 10 CGCDRN CCC[C@]1(C)CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000789985690 629177472 /nfs/dbraw/zinc/17/74/72/629177472.db2.gz HULCDLWZZSRRBF-MRXNPFEDSA-N 0 0 295.354 3.279 20 10 CGCDRN CC(C)=CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790684342 629225076 /nfs/dbraw/zinc/22/50/76/629225076.db2.gz XKWBFJDWOJXNMD-LLVKDONJSA-N 0 0 264.325 3.307 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCC1CC1 ZINC000790967895 629244340 /nfs/dbraw/zinc/24/43/40/629244340.db2.gz BABGBZONWCLDRN-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)C(F)F)cc1 ZINC000792035037 629332003 /nfs/dbraw/zinc/33/20/03/629332003.db2.gz JEYZWRNBLMEBOR-UHFFFAOYSA-N 0 0 284.350 3.002 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCC1(C)CC1 ZINC000792094215 629336796 /nfs/dbraw/zinc/33/67/96/629336796.db2.gz WZOQPYGJVVWYRW-UHFFFAOYSA-N 0 0 289.423 3.050 20 10 CGCDRN CN(C)c1cc(F)c(Cn2cnc3c2CCCC3)cc1F ZINC000862432244 629371826 /nfs/dbraw/zinc/37/18/26/629371826.db2.gz WMJSUIAALXDPFB-UHFFFAOYSA-N 0 0 291.345 3.154 20 10 CGCDRN CCN(CC)c1ccc(CN2CCO[C@H](CCF)C2)cc1 ZINC000862530955 629392503 /nfs/dbraw/zinc/39/25/03/629392503.db2.gz VZGFXLMVLPPACU-QGZVFWFLSA-N 0 0 294.414 3.093 20 10 CGCDRN CC[C@@H](CC(C)C)C(=O)NCc1cc(C)ccc1O ZINC000862754602 629429174 /nfs/dbraw/zinc/42/91/74/629429174.db2.gz HAAMBCWERDFSGV-ZDUSSCGKSA-N 0 0 263.381 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)CC(F)(F)F)c1 ZINC000862754010 629429233 /nfs/dbraw/zinc/42/92/33/629429233.db2.gz ONXOQZQPFGUPAX-UHFFFAOYSA-N 0 0 289.297 3.295 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000862756233 629429881 /nfs/dbraw/zinc/42/98/81/629429881.db2.gz UJEDLFYVPROOKM-HZPDHXFCSA-N 0 0 299.345 3.260 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000862755704 629429923 /nfs/dbraw/zinc/42/99/23/629429923.db2.gz KBHDLAHBNPBJTR-DOPJRALCSA-N 0 0 295.382 3.367 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCCc2ccsc2)c1 ZINC000862757011 629429942 /nfs/dbraw/zinc/42/99/42/629429942.db2.gz CXZHAKSNJDYOLW-UHFFFAOYSA-N 0 0 289.400 3.401 20 10 CGCDRN COc1cc(NCc2ccccc2O)cc(-n2cccn2)c1 ZINC000793269243 629437533 /nfs/dbraw/zinc/43/75/33/629437533.db2.gz MJRIMEYBOKDFJP-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN O=C(NCC[C@@H]1CC=CCC1)N1Cc2cccc(O)c2C1 ZINC000875844118 634740072 /nfs/dbraw/zinc/74/00/72/634740072.db2.gz DWVUNEMSDBXXFZ-CYBMUJFWSA-N 0 0 286.375 3.164 20 10 CGCDRN COc1ccc(CNC(=O)c2cc(Cl)cs2)c(O)c1 ZINC000794374494 629537716 /nfs/dbraw/zinc/53/77/16/629537716.db2.gz VHOVSRGCNXXBAQ-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CCC[C@@](C)(CC)C(=O)NCc1ccc(OC)cc1O ZINC000794387935 629538558 /nfs/dbraw/zinc/53/85/58/629538558.db2.gz PCKBRRXJPFFNKE-MRXNPFEDSA-N 0 0 279.380 3.233 20 10 CGCDRN CCN(Cc1cc(C)cc(OC)c1O)[C@@H](C)C(F)(F)F ZINC000794678139 629565394 /nfs/dbraw/zinc/56/53/94/629565394.db2.gz MEUHDCSFEDXHJU-JTQLQIEISA-N 0 0 291.313 3.482 20 10 CGCDRN COc1ccc(O)c(CNc2ncnc3oc(C)c(C)c32)c1 ZINC000119481954 629591588 /nfs/dbraw/zinc/59/15/88/629591588.db2.gz MEGHSPKJJPIGLS-UHFFFAOYSA-N 0 0 299.330 3.166 20 10 CGCDRN COC(=O)c1cc(CN(C)c2ccc(N)cc2)c(C)s1 ZINC000863558574 629606120 /nfs/dbraw/zinc/60/61/20/629606120.db2.gz NRBSUCHEVGRZQE-UHFFFAOYSA-N 0 0 290.388 3.062 20 10 CGCDRN C/C=C/C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000863816146 629677950 /nfs/dbraw/zinc/67/79/50/629677950.db2.gz AVDSDXAMANNXJU-VUDBWIFFSA-N 0 0 265.378 3.272 20 10 CGCDRN C[C@@H](NC(=O)NCCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000836405647 634757616 /nfs/dbraw/zinc/75/76/16/634757616.db2.gz KEKUQJFUHQEXGO-LLVKDONJSA-N 0 0 299.365 3.158 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCC(C)(C)C1 ZINC000796050246 629740003 /nfs/dbraw/zinc/74/00/03/629740003.db2.gz ADOKIJZXZLSSOB-VIFPVBQESA-N 0 0 253.367 3.104 20 10 CGCDRN C[C@@]1(CC[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@]1(F)Cl ZINC000864051801 629745400 /nfs/dbraw/zinc/74/54/00/629745400.db2.gz SHKFJVLZRSHYDY-CHWSQXEVSA-N 0 0 293.716 3.465 20 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0 0 292.360 3.269 20 10 CGCDRN C[C@H](O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000865442303 630125658 /nfs/dbraw/zinc/12/56/58/630125658.db2.gz GDOYPKRNONQFMI-AWEZNQCLSA-N 0 0 297.402 3.347 20 10 CGCDRN COC(C)(C)c1nsc(Sc2nccs2)n1 ZINC000865461279 630134031 /nfs/dbraw/zinc/13/40/31/630134031.db2.gz ZSMDHGRRHBLWKC-UHFFFAOYSA-N 0 0 273.408 3.027 20 10 CGCDRN CCCSc1cncc(NCc2ccccc2O)n1 ZINC000865486788 630148357 /nfs/dbraw/zinc/14/83/57/630148357.db2.gz FJEUKBZHUCWGFJ-UHFFFAOYSA-N 0 0 275.377 3.296 20 10 CGCDRN COC(=O)CC1(CN(C)c2ccc(OC(C)C)cc2)CC1 ZINC000799321658 630167152 /nfs/dbraw/zinc/16/71/52/630167152.db2.gz BGXSPPZHISQTRU-UHFFFAOYSA-N 0 0 291.391 3.253 20 10 CGCDRN CC1(C)CCC[C@@H]1OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000799497945 630192375 /nfs/dbraw/zinc/19/23/75/630192375.db2.gz ADHXVGQLEFXJPX-QPBFKRLHSA-N 0 0 276.332 3.233 20 10 CGCDRN O=[N+]([O-])c1cnc(Sc2ccc(F)cc2F)s1 ZINC000799925300 630244376 /nfs/dbraw/zinc/24/43/76/630244376.db2.gz ICWZGSHPCJNDIE-UHFFFAOYSA-N 0 0 274.273 3.481 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](F)C(C)C ZINC000839920439 630296589 /nfs/dbraw/zinc/29/65/89/630296589.db2.gz AGVQGIXIKXMMAB-BBRMVZONSA-N 0 0 294.414 3.102 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC1(C)C ZINC000839921431 630297235 /nfs/dbraw/zinc/29/72/35/630297235.db2.gz ZGMJSQOBDKZHLZ-CZUORRHYSA-N 0 0 288.435 3.154 20 10 CGCDRN c1cc(N2CCCCC2)ccc1CN1CCOCC12CC2 ZINC000802658451 630403948 /nfs/dbraw/zinc/40/39/48/630403948.db2.gz BMBYJGKYMYTXGU-UHFFFAOYSA-N 0 0 286.419 3.042 20 10 CGCDRN CC1(C)CC(C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000802785120 630411372 /nfs/dbraw/zinc/41/13/72/630411372.db2.gz KCSKZPPTPBHOBT-UHFFFAOYSA-N 0 0 287.403 3.323 20 10 CGCDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1O ZINC000804398178 630525766 /nfs/dbraw/zinc/52/57/66/630525766.db2.gz CLWSOXHZQAVALV-UHFFFAOYSA-N 0 0 286.287 3.115 20 10 CGCDRN CN(Cc1ccccc1O)c1ccnc2cc(F)cnc21 ZINC000804579610 630538703 /nfs/dbraw/zinc/53/87/03/630538703.db2.gz ZGGUOHUQMVFFCE-UHFFFAOYSA-N 0 0 283.306 3.111 20 10 CGCDRN C[C@H](Nc1ccnc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000804621735 630543596 /nfs/dbraw/zinc/54/35/96/630543596.db2.gz DUMNSTWZRHJERT-LBPRGKRZSA-N 0 0 295.390 3.207 20 10 CGCDRN CC[C@H]([NH2+]CCN(CC)CC)c1cccc(Cl)c1[O-] ZINC000806128996 630545371 /nfs/dbraw/zinc/54/53/71/630545371.db2.gz QTJIMUBWSORJPK-AWEZNQCLSA-N 0 0 284.831 3.428 20 10 CGCDRN CC[C@H]([NH2+]CC1(O)CCC1)c1cccc(Cl)c1[O-] ZINC000806138770 630547582 /nfs/dbraw/zinc/54/75/82/630547582.db2.gz BJBXIKPNRNXTFJ-LBPRGKRZSA-N 0 0 269.772 3.001 20 10 CGCDRN CC[C@@H]([NH2+]C1COC(C)(C)OC1)c1cccc(Cl)c1[O-] ZINC000806157049 630550666 /nfs/dbraw/zinc/55/06/66/630550666.db2.gz AQNPRBRCCGQQLJ-CYBMUJFWSA-N 0 0 299.798 3.238 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]1C ZINC000807556129 630593153 /nfs/dbraw/zinc/59/31/53/630593153.db2.gz IYINLLJGQHIKBF-CZUORRHYSA-N 0 0 289.423 3.083 20 10 CGCDRN c1csc(Sc2nnc(-c3ccccn3)s2)n1 ZINC000807935150 630607823 /nfs/dbraw/zinc/60/78/23/630607823.db2.gz MLUXDNKOHPVZKX-UHFFFAOYSA-N 0 0 278.387 3.208 20 10 CGCDRN CCOc1ccc(O)c(CN[C@@H]2CCCC2(F)F)c1 ZINC000808432012 630644427 /nfs/dbraw/zinc/64/44/27/630644427.db2.gz RYZIZCOMZBDGGX-CYBMUJFWSA-N 0 0 271.307 3.068 20 10 CGCDRN COc1nc(C)cc(C)c1COc1ccc(N(C)C)cc1 ZINC000810000533 630826167 /nfs/dbraw/zinc/82/61/67/630826167.db2.gz IHEMUFIUMRZSIP-UHFFFAOYSA-N 0 0 286.375 3.352 20 10 CGCDRN CCc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1C ZINC000811186052 631041238 /nfs/dbraw/zinc/04/12/38/631041238.db2.gz AKCYHFWLIBFGRQ-CYBMUJFWSA-N 0 0 299.418 3.145 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(F)c2[N+](=O)[O-])c1 ZINC000811805863 631121232 /nfs/dbraw/zinc/12/12/32/631121232.db2.gz DMQGZJNVXQWJEO-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN CCCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000811812083 631122472 /nfs/dbraw/zinc/12/24/72/631122472.db2.gz POANYBUAPVAVIO-CQSZACIVSA-N 0 0 291.439 3.473 20 10 CGCDRN Fc1ccc(NC(=S)NNc2ccccc2F)c(F)c1 ZINC000812475097 631265294 /nfs/dbraw/zinc/26/52/94/631265294.db2.gz SYDSDPLUBNLSKC-UHFFFAOYSA-N 0 0 297.305 3.417 20 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3.301 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1(C)C ZINC000816555039 632010656 /nfs/dbraw/zinc/01/06/56/632010656.db2.gz RICDCMKENXDAGC-CHWSQXEVSA-N 0 0 287.762 3.088 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000816558073 632011146 /nfs/dbraw/zinc/01/11/46/632011146.db2.gz MCQZFKLLGMUTOF-UHFFFAOYSA-N 0 0 269.747 3.465 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCC1 ZINC000816559810 632013199 /nfs/dbraw/zinc/01/31/99/632013199.db2.gz WAZJTACWNAFIEO-MRVPVSSYSA-N 0 0 257.736 3.463 20 10 CGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816584781 632017906 /nfs/dbraw/zinc/01/79/06/632017906.db2.gz SCUPMLJEAMIDPD-SCZZXKLOSA-N 0 0 257.736 3.463 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@@H](C3CCCC3)C2)c(O)c1O ZINC000817636346 632196932 /nfs/dbraw/zinc/19/69/32/632196932.db2.gz MIGFHNQRCSPGFZ-CYBMUJFWSA-N 0 0 289.375 3.059 20 10 CGCDRN CS[C@H](C)C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760502 632222945 /nfs/dbraw/zinc/22/29/45/632222945.db2.gz CPLQGHHEQIAATI-LLVKDONJSA-N 0 0 277.389 3.452 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000817957283 632251927 /nfs/dbraw/zinc/25/19/27/632251927.db2.gz AGQKNNYCUYVHHG-BMIGLBTASA-N 0 0 298.377 3.229 20 10 CGCDRN C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc(F)cc(F)c1[O-] ZINC000817957116 632252336 /nfs/dbraw/zinc/25/23/36/632252336.db2.gz JDPLCXNEOYIUNB-JTQLQIEISA-N 0 0 292.329 3.146 20 10 CGCDRN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818631545 632344039 /nfs/dbraw/zinc/34/40/39/632344039.db2.gz IXOGQOBYRJOQMK-NOZJJQNGSA-N 0 0 297.782 3.039 20 10 CGCDRN CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820478603 632635212 /nfs/dbraw/zinc/63/52/12/632635212.db2.gz JCTWDMQEJYBLCE-MFKMUULPSA-N 0 0 288.351 3.110 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C=CCC1 ZINC000821091387 632725326 /nfs/dbraw/zinc/72/53/26/632725326.db2.gz BDUQPUGOCOPAQE-OAHLLOKOSA-N 0 0 287.407 3.003 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000865784985 632889869 /nfs/dbraw/zinc/88/98/69/632889869.db2.gz KYKWUIRMHPRVHY-RHYQMDGZSA-N 0 0 296.461 3.034 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824526611 633254300 /nfs/dbraw/zinc/25/43/00/633254300.db2.gz NXAIBLMEMUGUTL-LLVKDONJSA-N 0 0 298.173 3.130 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCCCO2)cc1Cl ZINC000121912481 633275720 /nfs/dbraw/zinc/27/57/20/633275720.db2.gz HLHZNPZPBCZGCS-GFCCVEGCSA-N 0 0 269.772 3.354 20 10 CGCDRN CC/C=C\C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000824702359 633276078 /nfs/dbraw/zinc/27/60/78/633276078.db2.gz LYQUYAFUSFFXSH-ARJAWSKDSA-N 0 0 270.716 3.010 20 10 CGCDRN CC(C)CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868030892 633290352 /nfs/dbraw/zinc/29/03/52/633290352.db2.gz XLSPSZBRQWZYNU-LBPRGKRZSA-N 0 0 264.369 3.189 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])c2nccn21 ZINC000825017701 633318942 /nfs/dbraw/zinc/31/89/42/633318942.db2.gz XOQVEXOETHSHIR-PRHODGIISA-N 0 0 295.745 3.177 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CC12CCCCC2)c1ccccc1O ZINC000868471277 633327010 /nfs/dbraw/zinc/32/70/10/633327010.db2.gz NBGJEXAHTXBFBZ-WFASDCNBSA-N 0 0 288.391 3.475 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1CCCCS1)c1ccccc1O ZINC000868551683 633335464 /nfs/dbraw/zinc/33/54/64/633335464.db2.gz UNQRCPOSNQLTKN-VXGBXAGGSA-N 0 0 294.420 3.038 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868698481 633352993 /nfs/dbraw/zinc/35/29/93/633352993.db2.gz HXQQDZGRBNACLK-HZUKXOBISA-N 0 0 276.380 3.187 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1C(C)(C)C1(F)F)c1ccccc1O ZINC000868784980 633362784 /nfs/dbraw/zinc/36/27/84/633362784.db2.gz UKENRKZEOFTBRA-BXKDBHETSA-N 0 0 298.333 3.044 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1F)c1ccccc1O ZINC000868921096 633378535 /nfs/dbraw/zinc/37/85/35/633378535.db2.gz GXTOVABSLIHOAJ-WCFLWFBJSA-N 0 0 280.343 3.033 20 10 CGCDRN C[C@H](NC(=O)NCC[C@H]1CCCS1)c1ccccc1O ZINC000868973244 633386035 /nfs/dbraw/zinc/38/60/35/633386035.db2.gz RJNMLFUISIXZDM-NWDGAFQWSA-N 0 0 294.420 3.038 20 10 CGCDRN CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825944122 633390570 /nfs/dbraw/zinc/39/05/70/633390570.db2.gz QTHOBQZZPAWNOE-MRXNPFEDSA-N 0 0 297.826 3.339 20 10 CGCDRN Cc1cc(O)c(CN[C@H](C)C(=O)OC(C)(C)C)c(Cl)c1 ZINC000826768785 633431780 /nfs/dbraw/zinc/43/17/80/633431780.db2.gz DKIHQKPYBULGTB-SNVBAGLBSA-N 0 0 299.798 3.174 20 10 CGCDRN CC(C)(C)c1ccc(CNC(=O)C2=CC(=O)CS2)o1 ZINC000826899736 633441806 /nfs/dbraw/zinc/44/18/06/633441806.db2.gz FXIZRAFWHAVUBP-UHFFFAOYSA-N 0 0 279.361 3.274 20 10 CGCDRN CC(C)(CCNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000827651007 633507964 /nfs/dbraw/zinc/50/79/64/633507964.db2.gz WULYPWILVYMFRO-UHFFFAOYSA-N 0 0 296.414 3.295 20 10 CGCDRN C[N@H+](CC1=CCSC1)Cc1cc(Cl)ccc1O ZINC000827805077 633519539 /nfs/dbraw/zinc/51/95/39/633519539.db2.gz GJVMIQVDMWMZHU-UHFFFAOYSA-N 0 0 269.797 3.151 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cccc(O)c2)cc1F ZINC000827904268 633532757 /nfs/dbraw/zinc/53/27/57/633532757.db2.gz YJRIQTCTYLHYHM-UHFFFAOYSA-N 0 0 274.339 3.234 20 10 CGCDRN CCOc1cccc(CN(C)c2cccc(O)c2)c1O ZINC000827909365 633533894 /nfs/dbraw/zinc/53/38/94/633533894.db2.gz USVFZJDRCFKIRW-UHFFFAOYSA-N 0 0 273.332 3.133 20 10 CGCDRN C[C@@H](NC(=O)CCCOc1ccccc1)c1ccccc1O ZINC000827916806 633534662 /nfs/dbraw/zinc/53/46/62/633534662.db2.gz KBGREEHXHHIESB-CQSZACIVSA-N 0 0 299.370 3.429 20 10 CGCDRN Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2O)c(C)c1 ZINC000827922981 633535081 /nfs/dbraw/zinc/53/50/81/633535081.db2.gz GHAWRTMDLXIGLT-CQSZACIVSA-N 0 0 299.370 3.265 20 10 CGCDRN CC[C@@H]1C[C@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827940817 633537342 /nfs/dbraw/zinc/53/73/42/633537342.db2.gz IUZUEJDHLSJGDL-MGPQQGTHSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](NC(=O)COC1CCC(C)CC1)c1ccccc1O ZINC000827946418 633538073 /nfs/dbraw/zinc/53/80/73/633538073.db2.gz HJJABIGPNSSUBI-ROKHWSDSSA-N 0 0 291.391 3.165 20 10 CGCDRN CCc1occc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946411 633538177 /nfs/dbraw/zinc/53/81/77/633538177.db2.gz HCMMVKHHUOWOBU-SNVBAGLBSA-N 0 0 259.305 3.039 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000827946347 633538365 /nfs/dbraw/zinc/53/83/65/633538365.db2.gz FIRMAPWRQSRSRH-ZJUUUORDSA-N 0 0 269.291 3.005 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1O ZINC000827956354 633539474 /nfs/dbraw/zinc/53/94/74/633539474.db2.gz KTWXPBHWUMJGMN-CYZMBNFOSA-N 0 0 261.365 3.252 20 10 CGCDRN Cc1nc(C2CC2)ccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827952444 633539619 /nfs/dbraw/zinc/53/96/19/633539619.db2.gz SIROKTYJJLHOPR-LLVKDONJSA-N 0 0 296.370 3.464 20 10 CGCDRN C[C@H](NC(=O)C1=CCCCCC1)c1ccccc1O ZINC000827969164 633542625 /nfs/dbraw/zinc/54/26/25/633542625.db2.gz IYOKFXRCODOGEH-LBPRGKRZSA-N 0 0 259.349 3.460 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000827973138 633542823 /nfs/dbraw/zinc/54/28/23/633542823.db2.gz INHGXKPETOKAGL-AGIUHOORSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccsc1 ZINC000827973491 633543690 /nfs/dbraw/zinc/54/36/90/633543690.db2.gz RMSUMPKORCZIEM-MNOVXSKESA-N 0 0 275.373 3.435 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845792067 636101590 /nfs/dbraw/zinc/10/15/90/636101590.db2.gz PZCDQPVUGGHMDR-LSDHHAIUSA-N 0 0 273.376 3.177 20 10 CGCDRN CCCC(CCC)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202620 633723177 /nfs/dbraw/zinc/72/31/77/633723177.db2.gz CPAHKMZHBNSRDN-UHFFFAOYSA-N 0 0 261.365 3.451 20 10 CGCDRN COc1c(C)cc(C(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000871203017 633723358 /nfs/dbraw/zinc/72/33/58/633723358.db2.gz KAJBDBQZKRPHHG-UHFFFAOYSA-N 0 0 297.354 3.174 20 10 CGCDRN CC(C)Oc1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203103 633723417 /nfs/dbraw/zinc/72/34/17/633723417.db2.gz SLUPSCBCYYBKJR-UHFFFAOYSA-N 0 0 297.354 3.335 20 10 CGCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC000871202859 633723675 /nfs/dbraw/zinc/72/36/75/633723675.db2.gz NRVDJMVSVUEGSY-UHFFFAOYSA-N 0 0 299.345 3.351 20 10 CGCDRN O=C(CCCc1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000871206188 633726696 /nfs/dbraw/zinc/72/66/96/633726696.db2.gz VTUMOPVIVPMWAN-UHFFFAOYSA-N 0 0 299.345 3.396 20 10 CGCDRN COC(=O)c1cnc(SCCc2cccs2)s1 ZINC000829680682 633765838 /nfs/dbraw/zinc/76/58/38/633765838.db2.gz CRIONZPHNCORNF-UHFFFAOYSA-N 0 0 285.415 3.326 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@]2(C)CC=C(C)CC2)c1 ZINC000830544364 633870438 /nfs/dbraw/zinc/87/04/38/633870438.db2.gz OZTQMISQUOWLLY-QGZVFWFLSA-N 0 0 289.375 3.154 20 10 CGCDRN CCn1nnc(C)c1CNc1ccccc1NC(C)C ZINC000871845925 633890189 /nfs/dbraw/zinc/89/01/89/633890189.db2.gz NQHJGKQJRGCXIX-UHFFFAOYSA-N 0 0 273.384 3.039 20 10 CGCDRN CC(C)Nc1ccccc1N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000871846363 633891661 /nfs/dbraw/zinc/89/16/61/633891661.db2.gz YFWAXUKBJUTFLV-OAHLLOKOSA-N 0 0 289.423 3.318 20 10 CGCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000831033587 633911766 /nfs/dbraw/zinc/91/17/66/633911766.db2.gz ZKJIDXIDUIYMJI-IUODEOHRSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(N(Cc2cc(C)no2)CC2CC2)cc1 ZINC000831582714 633978919 /nfs/dbraw/zinc/97/89/19/633978919.db2.gz DTXVXGAUQUGICZ-UHFFFAOYSA-N 0 0 272.348 3.408 20 10 CGCDRN CN(CC1(c2ccccc2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000832009554 634021461 /nfs/dbraw/zinc/02/14/61/634021461.db2.gz ZHYIHZBAKQLNEV-UHFFFAOYSA-N 0 0 294.398 3.002 20 10 CGCDRN Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000872133838 634056245 /nfs/dbraw/zinc/05/62/45/634056245.db2.gz PCKIEXIEYZHDHO-MWLCHTKSSA-N 0 0 275.327 3.042 20 10 CGCDRN CCn1ncc(N[C@@H](C)c2cc(F)ccc2O)c1C ZINC000872136561 634060333 /nfs/dbraw/zinc/06/03/33/634060333.db2.gz GJLWURJSQWQWID-VIFPVBQESA-N 0 0 263.316 3.229 20 10 CGCDRN O=C(N[C@H]1CCCc2c(F)cccc21)C1=CC(=O)CS1 ZINC000833051512 634107572 /nfs/dbraw/zinc/10/75/72/634107572.db2.gz YDJOROBAOUSUHM-ZDUSSCGKSA-N 0 0 291.347 3.400 20 10 CGCDRN CC[C@@H](C)[C@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000834542047 634178723 /nfs/dbraw/zinc/17/87/23/634178723.db2.gz HTHAPKLJCIRRDI-MUWHJKNJSA-N 0 0 281.299 3.161 20 10 CGCDRN CC[C@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834883206 634265883 /nfs/dbraw/zinc/26/58/83/634265883.db2.gz ZWOSMVFHDGJFKW-LKFCYVNXSA-N 0 0 273.323 3.136 20 10 CGCDRN CC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CC(F)(F)C1 ZINC000873197514 634281841 /nfs/dbraw/zinc/28/18/41/634281841.db2.gz CHBRVNAPWQKHAT-UHFFFAOYSA-N 0 0 279.689 3.462 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000834911785 634285530 /nfs/dbraw/zinc/28/55/30/634285530.db2.gz KDKQUEFVGXJNHK-WDBKCZKBSA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(N)cc1 ZINC000873298535 634325275 /nfs/dbraw/zinc/32/52/75/634325275.db2.gz KXZNVHMMIHWKLX-KRWDZBQOSA-N 0 0 296.414 3.462 20 10 CGCDRN Oc1ccccc1CNc1ccc2c(c1)OC(F)(F)O2 ZINC000019913313 634376091 /nfs/dbraw/zinc/37/60/91/634376091.db2.gz NYYFOXZASDATPO-UHFFFAOYSA-N 0 0 279.242 3.326 20 10 CGCDRN C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(N)cc1 ZINC000837303208 634881766 /nfs/dbraw/zinc/88/17/66/634881766.db2.gz ZFQXOMAIOBHEAO-CYBMUJFWSA-N 0 0 290.407 3.013 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(N)cc1 ZINC000837303017 634882070 /nfs/dbraw/zinc/88/20/70/634882070.db2.gz QKGFISYMMXPZOQ-TZMCWYRMSA-N 0 0 260.381 3.101 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000837320392 634885975 /nfs/dbraw/zinc/88/59/75/634885975.db2.gz GSQSJAQVHCOAHL-CYBMUJFWSA-N 0 0 274.408 3.147 20 10 CGCDRN CSCC[C@H](C)[N@H+](C)Cc1c(C)cccc1O ZINC000876755206 634892294 /nfs/dbraw/zinc/89/22/94/634892294.db2.gz SYPHWNMFKMUNCN-LBPRGKRZSA-N 0 0 253.411 3.274 20 10 CGCDRN Cc1cccc(O)c1C[N@@H+]1CCSC(C)(C)C1 ZINC000876747706 634891926 /nfs/dbraw/zinc/89/19/26/634891926.db2.gz KNOQNPDFWDPREH-UHFFFAOYSA-N 0 0 251.395 3.028 20 10 CGCDRN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000837376651 634899280 /nfs/dbraw/zinc/89/92/80/634899280.db2.gz FJLPSOHKAGVPJK-CYBMUJFWSA-N 0 0 286.419 3.121 20 10 CGCDRN COc1cccc(CNC(=O)CCCCC(C)C)c1O ZINC000837484072 634918037 /nfs/dbraw/zinc/91/80/37/634918037.db2.gz DSTLBEKRNZFDLN-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN O=C(Nc1cccc(Cl)c1)c1cccc(O)c1O ZINC000126221674 634922435 /nfs/dbraw/zinc/92/24/35/634922435.db2.gz WMGZFOGDYJOJOO-UHFFFAOYSA-N 0 0 263.680 3.004 20 10 CGCDRN COCc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000876934576 634931430 /nfs/dbraw/zinc/93/14/30/634931430.db2.gz KAOBRLDKWGTLIZ-UHFFFAOYSA-N 0 0 293.313 3.107 20 10 CGCDRN CO[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000876959624 634937345 /nfs/dbraw/zinc/93/73/45/634937345.db2.gz WNDSKCPISHKILD-CQSZACIVSA-N 0 0 293.313 3.148 20 10 CGCDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877075786 634973598 /nfs/dbraw/zinc/97/35/98/634973598.db2.gz HLFFIGBIRLHPLZ-KGLIPLIRSA-N 0 0 286.400 3.405 20 10 CGCDRN Cc1noc(C)c1[C@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877076858 634974891 /nfs/dbraw/zinc/97/48/91/634974891.db2.gz VZIBEGOIGKWJIK-SNVBAGLBSA-N 0 0 287.363 3.030 20 10 CGCDRN Cc1ccc(OCCC(=O)N(C)c2ccc(N)cc2)c(C)c1 ZINC000877080525 634976549 /nfs/dbraw/zinc/97/65/49/634976549.db2.gz KJRPPSCVTYOEGW-UHFFFAOYSA-N 0 0 298.386 3.318 20 10 CGCDRN C/C=C/C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000877118680 634989642 /nfs/dbraw/zinc/98/96/42/634989642.db2.gz JPKMOVJXNIFVSM-XYBNCVKDSA-N 0 0 272.392 3.016 20 10 CGCDRN COc1ccc(N(C)CCC[C@H]2CCO2)cc1Cl ZINC000877181015 635009219 /nfs/dbraw/zinc/00/92/19/635009219.db2.gz FGUUJCZCOFHTBH-LBPRGKRZSA-N 0 0 269.772 3.354 20 10 CGCDRN C[C@H](C[N@H+](C)Cc1ccc(F)c(F)c1[O-])c1nccs1 ZINC000877316334 635024363 /nfs/dbraw/zinc/02/43/63/635024363.db2.gz VKGUWJFUKGCKEW-SECBINFHSA-N 0 0 298.358 3.362 20 10 CGCDRN CO[C@@]1(C)CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000877491290 635058322 /nfs/dbraw/zinc/05/83/22/635058322.db2.gz IFTKTKPVTMTAKC-INIZCTEOSA-N 0 0 263.381 3.092 20 10 CGCDRN Cc1ccc(CN2CCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000877505623 635064613 /nfs/dbraw/zinc/06/46/13/635064613.db2.gz GUSARJMLYUYLMM-UHFFFAOYSA-N 0 0 292.379 3.058 20 10 CGCDRN CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000840860576 635067605 /nfs/dbraw/zinc/06/76/05/635067605.db2.gz VXIRKCTVHAKDEB-MMPTUQATSA-N 0 0 281.371 3.386 20 10 CGCDRN Cc1cccc(O)c1C[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000877519169 635068092 /nfs/dbraw/zinc/06/80/92/635068092.db2.gz XGGURLGFMNBOCQ-HUUCEWRRSA-N 0 0 277.408 3.216 20 10 CGCDRN Cc1cccc(O)c1C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000877519168 635068747 /nfs/dbraw/zinc/06/87/47/635068747.db2.gz XGGURLGFMNBOCQ-GJZGRUSLSA-N 0 0 277.408 3.216 20 10 CGCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1(Cl)Cl ZINC000877564530 635092968 /nfs/dbraw/zinc/09/29/68/635092968.db2.gz DNIVPIYFKPVOMO-NSHDSACASA-N 0 0 296.144 3.344 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000840993810 635100189 /nfs/dbraw/zinc/10/01/89/635100189.db2.gz NLRPTFWIFCURQZ-UHFFFAOYSA-N 0 0 298.386 3.083 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC000840998518 635101421 /nfs/dbraw/zinc/10/14/21/635101421.db2.gz HPIMUVZIWYQLIJ-AWEZNQCLSA-N 0 0 293.407 3.378 20 10 CGCDRN Nc1ccc(NCc2cccc3c2OCCCO3)cc1 ZINC000841040030 635111943 /nfs/dbraw/zinc/11/19/43/635111943.db2.gz GYNPIFHRNJPGCI-UHFFFAOYSA-N 0 0 270.332 3.042 20 10 CGCDRN CCCn1nc(C)c(CNc2ccc(N)cc2)c1C ZINC000841040712 635112604 /nfs/dbraw/zinc/11/26/04/635112604.db2.gz XZQZQHLFKVTIBT-UHFFFAOYSA-N 0 0 258.369 3.104 20 10 CGCDRN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)C1(F)F ZINC000877650832 635131264 /nfs/dbraw/zinc/13/12/64/635131264.db2.gz UVWVTSQJOILVIV-DTORHVGOSA-N 0 0 291.288 3.394 20 10 CGCDRN CS[C@@H](CNC(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841296723 635148338 /nfs/dbraw/zinc/14/83/38/635148338.db2.gz YJEYTOWBGAQYGJ-LBPRGKRZSA-N 0 0 281.425 3.168 20 10 CGCDRN CC[C@@](C)(NC(=O)Nc1ccc(N)cc1)c1nccs1 ZINC000841300219 635149683 /nfs/dbraw/zinc/14/96/83/635149683.db2.gz NBFZZDLAGQVDRF-CQSZACIVSA-N 0 0 290.392 3.172 20 10 CGCDRN COCc1cc(NCc2cccc(C)c2O)ccc1OC ZINC000877703064 635155308 /nfs/dbraw/zinc/15/53/08/635155308.db2.gz PTWJOCYMKUXQEF-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN CCOc1cc(CN2Cc3cccc(O)c3C2)ccc1O ZINC000877703112 635155952 /nfs/dbraw/zinc/15/59/52/635155952.db2.gz RVMWANDXIOPTJX-UHFFFAOYSA-N 0 0 285.343 3.012 20 10 CGCDRN C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(Cl)cc1[O-] ZINC000841744768 635222169 /nfs/dbraw/zinc/22/21/69/635222169.db2.gz KZQLLEKGFUEMEV-GFCCVEGCSA-N 0 0 293.798 3.373 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841753281 635227119 /nfs/dbraw/zinc/22/71/19/635227119.db2.gz GBPZQILZIFDBIR-SDDRHHMPSA-N 0 0 283.799 3.369 20 10 CGCDRN COCC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756819 635229890 /nfs/dbraw/zinc/22/98/90/635229890.db2.gz KLDXDIRZOKDHCF-SNVBAGLBSA-N 0 0 271.788 3.369 20 10 CGCDRN CC[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841832099 635241212 /nfs/dbraw/zinc/24/12/12/635241212.db2.gz GZIXXBXOTMCAOI-XJKSGUPXSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000841834485 635242903 /nfs/dbraw/zinc/24/29/03/635242903.db2.gz CETDTGZRBXFXQO-CYBMUJFWSA-N 0 0 289.423 3.079 20 10 CGCDRN CC[C@@]1(C)CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841954771 635251524 /nfs/dbraw/zinc/25/15/24/635251524.db2.gz PHGLOQHKUAOIFJ-KRWDZBQOSA-N 0 0 289.423 3.033 20 10 CGCDRN C[C@@H](c1ccccc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841962807 635252315 /nfs/dbraw/zinc/25/23/15/635252315.db2.gz SYLYOMGLDXCUFS-AWEZNQCLSA-N 0 0 297.402 3.214 20 10 CGCDRN CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000841960152 635252453 /nfs/dbraw/zinc/25/24/53/635252453.db2.gz WEGWZMYRHBIHDN-OAHLLOKOSA-N 0 0 289.423 3.031 20 10 CGCDRN CC[C@@H]1CC[C@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955597 635252518 /nfs/dbraw/zinc/25/25/18/635252518.db2.gz HSLGELQAWAUDPI-UONOGXRCSA-N 0 0 289.423 3.031 20 10 CGCDRN C/C=C(\C)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842879247 635504698 /nfs/dbraw/zinc/50/46/98/635504698.db2.gz PIOUKJPMQDQANO-QJIMOZNHSA-N 0 0 289.375 3.031 20 10 CGCDRN CC[C@@H](Nc1ccc2c(c1)nnn2C)c1ccccc1O ZINC000842901327 635510737 /nfs/dbraw/zinc/51/07/37/635510737.db2.gz MBVNAQPSYREEEX-CYBMUJFWSA-N 0 0 282.347 3.237 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000842926961 635513652 /nfs/dbraw/zinc/51/36/52/635513652.db2.gz BODCYFVGVOBWQG-JOAULVNJSA-N 0 0 273.348 3.215 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCC[C@H]2C2CCC2)cc1 ZINC000843042890 635548237 /nfs/dbraw/zinc/54/82/37/635548237.db2.gz BSHPQARIFURHFO-HNNXBMFYSA-N 0 0 273.380 3.455 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000843255727 635627589 /nfs/dbraw/zinc/62/75/89/635627589.db2.gz CLEOOFVTHQTMCT-HOTGVXAUSA-N 0 0 272.392 3.101 20 10 CGCDRN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843427339 635671749 /nfs/dbraw/zinc/67/17/49/635671749.db2.gz LQNUNVDOIGNTKY-ONGXEEELSA-N 0 0 289.778 3.071 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC000843431803 635673613 /nfs/dbraw/zinc/67/36/13/635673613.db2.gz ZMPYHWUOGCNSAO-UHFFFAOYSA-N 0 0 272.732 3.184 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCS[C@H]2C)c1O ZINC000843433780 635674503 /nfs/dbraw/zinc/67/45/03/635674503.db2.gz CWIRVESLJVTEQR-JOYOIKCWSA-N 0 0 271.813 3.338 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCS[C@@H]2C)c1O ZINC000843433778 635674666 /nfs/dbraw/zinc/67/46/66/635674666.db2.gz CWIRVESLJVTEQR-BXKDBHETSA-N 0 0 271.813 3.338 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000843435679 635675543 /nfs/dbraw/zinc/67/55/43/635675543.db2.gz XELLZDXWTQKYLX-FXPVBKGRSA-N 0 0 269.747 3.463 20 10 CGCDRN COc1cccc(CNC(=O)[C@H]2CCC(C)=C(C)C2)c1O ZINC000843833648 635786803 /nfs/dbraw/zinc/78/68/03/635786803.db2.gz XGOBTKHTNNVUEG-ZDUSSCGKSA-N 0 0 289.375 3.154 20 10 CGCDRN CC(C)n1ccc(NC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000879457181 635791351 /nfs/dbraw/zinc/79/13/51/635791351.db2.gz XTEJYVUOEOEZAQ-NSHDSACASA-N 0 0 288.351 3.052 20 10 CGCDRN Cc1coc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000879539638 635808264 /nfs/dbraw/zinc/80/82/64/635808264.db2.gz YMUYSMNPUUPNEL-GFCCVEGCSA-N 0 0 272.348 3.145 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647912 635824818 /nfs/dbraw/zinc/82/48/18/635824818.db2.gz QMXPSJYQRCIQHO-ZIAGYGMSSA-N 0 0 292.423 3.128 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)CCc2ccccc2)cc1 ZINC000844353022 635877274 /nfs/dbraw/zinc/87/72/74/635877274.db2.gz OIFNGDHHQPCGIK-QGZVFWFLSA-N 0 0 285.387 3.125 20 10 CGCDRN CCCCc1noc(CN(C)c2ccc(OC)cc2)n1 ZINC000844352936 635877389 /nfs/dbraw/zinc/87/73/89/635877389.db2.gz DMQFMIOMUPGNES-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN CCC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000128174149 635907480 /nfs/dbraw/zinc/90/74/80/635907480.db2.gz DIPCXRIPDFIYMU-NSHDSACASA-N 0 0 269.772 3.047 20 10 CGCDRN Oc1ccc(Cl)cc1CNC(=S)NC1CCCCC1 ZINC000844584344 635936743 /nfs/dbraw/zinc/93/67/43/635936743.db2.gz RSAQGYUYHCNYBC-UHFFFAOYSA-N 0 0 298.839 3.342 20 10 CGCDRN C[C@@H](CCC1CC1)NC(=O)NCc1cc(Cl)ccc1O ZINC000845120680 636007481 /nfs/dbraw/zinc/00/74/81/636007481.db2.gz URWZODQIIBDWKN-JTQLQIEISA-N 0 0 296.798 3.424 20 10 CGCDRN CSc1ccnc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000845477383 636038260 /nfs/dbraw/zinc/03/82/60/636038260.db2.gz PKVHNOOMPOQDQF-UHFFFAOYSA-N 0 0 292.383 3.016 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000845997944 636127844 /nfs/dbraw/zinc/12/78/44/636127844.db2.gz GAYNMTOGJLAYGF-UHFFFAOYSA-N 0 0 285.391 3.419 20 10 CGCDRN COc1ccc(N(C)Cc2coc(C3CC3)n2)cc1 ZINC000845999259 636128407 /nfs/dbraw/zinc/12/84/07/636128407.db2.gz VDJNIWCRBQADNT-UHFFFAOYSA-N 0 0 258.321 3.197 20 10 CGCDRN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000846019073 636130686 /nfs/dbraw/zinc/13/06/86/636130686.db2.gz XKXLQPZGMBDVAY-HZMBPMFUSA-N 0 0 285.815 3.241 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846043025 636137417 /nfs/dbraw/zinc/13/74/17/636137417.db2.gz STNIGKMAICBWSQ-OAHLLOKOSA-N 0 0 295.810 3.340 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000846208723 636158834 /nfs/dbraw/zinc/15/88/34/636158834.db2.gz JXTDEDBAIDYCHQ-YUMQZZPRSA-N 0 0 296.169 3.070 20 10 CGCDRN CC1(C)CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473249 636187233 /nfs/dbraw/zinc/18/72/33/636187233.db2.gz KVSHPVIAZWKGBK-LBPRGKRZSA-N 0 0 281.783 3.488 20 10 CGCDRN CC/C(C)=C(/C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472638 636187350 /nfs/dbraw/zinc/18/73/50/636187350.db2.gz CVAVDPUEERMLBD-KTKRTIGZSA-N 0 0 267.756 3.408 20 10 CGCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000846474809 636188314 /nfs/dbraw/zinc/18/83/14/636188314.db2.gz BXLLAEXDGTZCEC-VIFPVBQESA-N 0 0 269.772 3.344 20 10 CGCDRN COc1cc(F)c(NCc2ccccc2O)cc1OC ZINC000129389603 636230857 /nfs/dbraw/zinc/23/08/57/636230857.db2.gz JXCMZKVPPSPXSU-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN Clc1cnc(SCO[C@@H]2CCCOC2)s1 ZINC000882237160 636294875 /nfs/dbraw/zinc/29/48/75/636294875.db2.gz FVXJFYGUVUIWMH-SSDOTTSWSA-N 0 0 265.787 3.042 20 10 CGCDRN COc1ccc(CNc2nnc(Cl)c(C)c2C)c(O)c1 ZINC000882291233 636304042 /nfs/dbraw/zinc/30/40/42/636304042.db2.gz FRTIASPKEOYCOC-UHFFFAOYSA-N 0 0 293.754 3.073 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)C2CCC2)c(C)n1-c1ccccn1 ZINC000129635399 636323340 /nfs/dbraw/zinc/32/33/40/636323340.db2.gz JJGRJZSAXJDXMC-CYBMUJFWSA-N 0 0 297.402 3.408 20 10 CGCDRN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883078720 636531260 /nfs/dbraw/zinc/53/12/60/636531260.db2.gz AVFFDNUOOWGJAL-TZMCWYRMSA-N 0 0 299.361 3.354 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000883079392 636531431 /nfs/dbraw/zinc/53/14/31/636531431.db2.gz RXXPSHXOQLYATJ-OAHLLOKOSA-N 0 0 299.361 3.091 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000883133645 636551223 /nfs/dbraw/zinc/55/12/23/636551223.db2.gz FKWISPAKVWMWBV-LLVKDONJSA-N 0 0 297.345 3.109 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1CC1CCCC1 ZINC000848356734 636562980 /nfs/dbraw/zinc/56/29/80/636562980.db2.gz ZEALQXQZJPOETO-ZDUSSCGKSA-N 0 0 289.375 3.283 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000883195918 636578909 /nfs/dbraw/zinc/57/89/09/636578909.db2.gz FZZUXGLUXJFIDR-CABCVRRESA-N 0 0 297.345 3.108 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000848562348 636607399 /nfs/dbraw/zinc/60/73/99/636607399.db2.gz IBHVEJPSBPPSIW-WDEREUQCSA-N 0 0 297.370 3.160 20 10 CGCDRN CC(C)CCOc1ccccc1NCc1nccn1C ZINC000848563632 636607713 /nfs/dbraw/zinc/60/77/13/636607713.db2.gz XGTJDENAIOXTQZ-UHFFFAOYSA-N 0 0 273.380 3.457 20 10 CGCDRN CCc1cccc(CNc2cccc3c2OCCO3)c1O ZINC000848890326 636677652 /nfs/dbraw/zinc/67/76/52/636677652.db2.gz GXRNXEKWNFROMI-UHFFFAOYSA-N 0 0 285.343 3.338 20 10 CGCDRN CCc1cccc(CN2C[C@@H](CO)c3ccccc32)c1O ZINC000848914700 636688465 /nfs/dbraw/zinc/68/84/65/636688465.db2.gz RHNZHVULAGUGAS-HNNXBMFYSA-N 0 0 283.371 3.051 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCN1CC)c1cccc(Cl)c1[O-] ZINC000883354926 636696216 /nfs/dbraw/zinc/69/62/16/636696216.db2.gz FINBYAMMHLAHRM-RISCZKNCSA-N 0 0 282.815 3.181 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000883356979 636698444 /nfs/dbraw/zinc/69/84/44/636698444.db2.gz AAZJZROCZMPXRM-CMPLNLGQSA-N 0 0 297.345 3.423 20 10 CGCDRN CC[C@@H](N[C@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000883399309 636739725 /nfs/dbraw/zinc/73/97/25/636739725.db2.gz JEXRCIBHVQNZHM-ZWNOBZJWSA-N 0 0 256.340 3.447 20 10 CGCDRN Cc1cccc([C@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000131734768 636745133 /nfs/dbraw/zinc/74/51/33/636745133.db2.gz ZHPXKNRWZLLCGV-HNNXBMFYSA-N 0 0 296.414 3.481 20 10 CGCDRN Cc1ccc(O)c(CNc2nc(C3CC3)ns2)c1 ZINC000849346886 636816757 /nfs/dbraw/zinc/81/67/57/636816757.db2.gz GURFNURKJCMBIF-UHFFFAOYSA-N 0 0 261.350 3.042 20 10 CGCDRN CC1(C)OC[C@H](CSc2ncc(Cl)s2)O1 ZINC000850000482 636925295 /nfs/dbraw/zinc/92/52/95/636925295.db2.gz WNILVJUAMFWKNP-ZCFIWIBFSA-N 0 0 265.787 3.040 20 10 CGCDRN O=C(NCc1ccccc1O)C1C2CC3CC(C2)CC1C3 ZINC000133940501 636988176 /nfs/dbraw/zinc/98/81/76/636988176.db2.gz XCTQELVYCYKPOG-UHFFFAOYSA-N 0 0 285.387 3.081 20 10 CGCDRN COc1cc(CNC(CF)CF)c(O)c(C(C)(C)C)c1 ZINC000850312833 637015859 /nfs/dbraw/zinc/01/58/59/637015859.db2.gz FINGUYNEOXHINY-UHFFFAOYSA-N 0 0 287.350 3.096 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2=CCCC2)c1[O-] ZINC000850396384 637047573 /nfs/dbraw/zinc/04/75/73/637047573.db2.gz VEOOAUFZRQJRIU-UHFFFAOYSA-N 0 0 282.727 3.154 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1SCCS1 ZINC000850401940 637048532 /nfs/dbraw/zinc/04/85/32/637048532.db2.gz KNOKXNMLDQVNSJ-UHFFFAOYSA-N 0 0 293.816 3.080 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cscn1 ZINC000850511247 637097352 /nfs/dbraw/zinc/09/73/52/637097352.db2.gz AEXVKSCEXZVYSW-RKDXNWHRSA-N 0 0 293.348 3.169 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850511244 637097552 /nfs/dbraw/zinc/09/75/52/637097552.db2.gz AEXVKSCEXZVYSW-BDAKNGLRSA-N 0 0 293.348 3.169 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(Cl)c1[O-] ZINC000850516094 637099537 /nfs/dbraw/zinc/09/95/37/637099537.db2.gz SIYCLEJTDOJVOD-ZWNOBZJWSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850529062 637107276 /nfs/dbraw/zinc/10/72/76/637107276.db2.gz NCCVCVHSCJVKRB-JGVFFNPUSA-N 0 0 278.179 3.121 20 10 CGCDRN Nc1ccc(CC(=O)NC2CCC(C3CCC3)CC2)cc1 ZINC000851647405 637465309 /nfs/dbraw/zinc/46/53/09/637465309.db2.gz KWKVJAHBSBFADQ-UHFFFAOYSA-N 0 0 286.419 3.286 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc(C)nc(C)n2)cc1 ZINC000851779992 637500562 /nfs/dbraw/zinc/50/05/62/637500562.db2.gz DZRRYDJHNAIHIA-UHFFFAOYSA-N 0 0 271.364 3.129 20 10 CGCDRN O=C1CCC[C@@H](c2cccc(NCc3ccccc3O)c2)N1 ZINC000886374845 637520244 /nfs/dbraw/zinc/52/02/44/637520244.db2.gz OHZQSUYEIJSQAS-INIZCTEOSA-N 0 0 296.370 3.346 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCOC(F)F ZINC000851883553 637530149 /nfs/dbraw/zinc/53/01/49/637530149.db2.gz HFRKSYUIXYYQJK-UHFFFAOYSA-N 0 0 271.307 3.077 20 10 CGCDRN Cc1csc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886501444 637543408 /nfs/dbraw/zinc/54/34/08/637543408.db2.gz KYKDRLJCTIBWBG-JTQLQIEISA-N 0 0 280.368 3.190 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1c([O-])cccc1F ZINC000886510861 637548004 /nfs/dbraw/zinc/54/80/04/637548004.db2.gz BGWDCQKJNXORGY-NEPJUHHUSA-N 0 0 289.350 3.435 20 10 CGCDRN CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886532667 637558572 /nfs/dbraw/zinc/55/85/72/637558572.db2.gz MPYBLEICHYNUSJ-HBNTYKKESA-N 0 0 269.385 3.466 20 10 CGCDRN COC[C@H](N[C@H](C)c1c(O)cccc1F)c1ccc(C)o1 ZINC000886534826 637559688 /nfs/dbraw/zinc/55/96/88/637559688.db2.gz PEDDAPTUOJLQKG-YPMHNXCESA-N 0 0 293.338 3.471 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@@H]1CCCO1 ZINC000886557134 637579244 /nfs/dbraw/zinc/57/92/44/637579244.db2.gz ULCXINIKFASXGZ-OSMZGAPFSA-N 0 0 267.344 3.140 20 10 CGCDRN CCOCCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886555610 637579586 /nfs/dbraw/zinc/57/95/86/637579586.db2.gz XDANBWLUPPGGJB-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN COC1(CC[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886613726 637607252 /nfs/dbraw/zinc/60/72/52/637607252.db2.gz CQDKSFFZCWPJGO-NSHDSACASA-N 0 0 267.344 3.141 20 10 CGCDRN CN(CCOC(F)F)c1ccc(-c2nccs2)cc1 ZINC000852167020 637609712 /nfs/dbraw/zinc/60/97/12/637609712.db2.gz UKTWECZKUOCVMZ-UHFFFAOYSA-N 0 0 284.331 3.486 20 10 CGCDRN C[C@H]([NH2+][C@H]1COCc2ccccc21)c1c([O-])cccc1F ZINC000886626708 637616952 /nfs/dbraw/zinc/61/69/52/637616952.db2.gz JCTRYJMQKYYCEG-NHYWBVRUSA-N 0 0 287.334 3.453 20 10 CGCDRN CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886631611 637619797 /nfs/dbraw/zinc/61/97/97/637619797.db2.gz RBLQNKYBUAZDOJ-MPKXVKKWSA-N 0 0 267.344 3.140 20 10 CGCDRN CCSC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886637988 637622546 /nfs/dbraw/zinc/62/25/46/637622546.db2.gz JUPYZSPZEGUMCB-SNVBAGLBSA-N 0 0 269.385 3.468 20 10 CGCDRN Nc1ccc(-n2cc(-c3csc(C4CCC4)n3)nn2)cc1 ZINC000887494953 637843259 /nfs/dbraw/zinc/84/32/59/637843259.db2.gz XVMJBBRFFWXGKO-UHFFFAOYSA-N 0 0 297.387 3.241 20 10 CGCDRN CN(C)c1ccc(OCCOCc2ccccc2)cc1 ZINC000853692869 637894305 /nfs/dbraw/zinc/89/43/05/637894305.db2.gz KOCOKPZSKPVOLZ-UHFFFAOYSA-N 0 0 271.360 3.348 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCF ZINC000854374831 638048019 /nfs/dbraw/zinc/04/80/19/638048019.db2.gz YVEOSEKLRPWMAK-UHFFFAOYSA-N 0 0 267.344 3.271 20 10 CGCDRN CC[C@H](OC1CCCC1)C(=O)N(C)Cc1ccccc1O ZINC000113418751 638205418 /nfs/dbraw/zinc/20/54/18/638205418.db2.gz ATQNZHPFDLBVAU-INIZCTEOSA-N 0 0 291.391 3.088 20 10 CGCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000855859810 638267955 /nfs/dbraw/zinc/26/79/55/638267955.db2.gz IAQIVLSMWOMQJG-MRXNPFEDSA-N 0 0 297.402 3.408 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](C2CCC2)C1 ZINC000856171012 638311435 /nfs/dbraw/zinc/31/14/35/638311435.db2.gz GMFHPMDYCYTJCJ-NSHDSACASA-N 0 0 265.378 3.106 20 10 CGCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)CC(F)(F)F ZINC000856518185 638370983 /nfs/dbraw/zinc/37/09/83/638370983.db2.gz JFETWFMPEVBSPH-UHFFFAOYSA-N 0 0 281.299 3.162 20 10 CGCDRN COc1ccc(N(C)Cc2cncc(Cl)c2)c(OC)c1 ZINC000856731924 638377734 /nfs/dbraw/zinc/37/77/34/638377734.db2.gz WRVCYMHMKPVVOI-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN Cc1nccnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000857039965 638438954 /nfs/dbraw/zinc/43/89/54/638438954.db2.gz KVCIPYXCURWFGK-UHFFFAOYSA-N 0 0 271.364 3.209 20 10 CGCDRN C[C@@H]([NH2+]CC1CC(C)C1)c1cc(F)cc(F)c1[O-] ZINC000857084637 638455106 /nfs/dbraw/zinc/45/51/06/638455106.db2.gz ZIAOWPCAZRXNJV-HWOCKDDLSA-N 0 0 255.308 3.367 20 10 CGCDRN CCCC[C@@H](C(=O)NCc1cccc(OC)c1O)C(C)C ZINC000857102886 638457921 /nfs/dbraw/zinc/45/79/21/638457921.db2.gz SHBVDPMOQCRMRT-CQSZACIVSA-N 0 0 293.407 3.479 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc(F)c1F ZINC000857547440 638516239 /nfs/dbraw/zinc/51/62/39/638516239.db2.gz DSDZBYIWUXEYKI-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN CCOC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000925665663 638561837 /nfs/dbraw/zinc/56/18/37/638561837.db2.gz HHHNOIXUSSDSPS-UHFFFAOYSA-N 0 0 273.332 3.279 20 10 CGCDRN O=C(N[C@@H](C(F)F)C1CCCCC1)C1=CC(=O)CS1 ZINC000857741352 638562399 /nfs/dbraw/zinc/56/23/99/638562399.db2.gz CBYNFQPVWBPFFK-LLVKDONJSA-N 0 0 289.347 3.398 20 10 CGCDRN CC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115855816 638627238 /nfs/dbraw/zinc/62/72/38/638627238.db2.gz OXALHFGEMKYUED-ZDUSSCGKSA-N 0 0 277.412 3.001 20 10 CGCDRN Cc1cccc(O)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858200222 638657383 /nfs/dbraw/zinc/65/73/83/638657383.db2.gz QVFWQRQWHAMXBM-UHFFFAOYSA-N 0 0 298.386 3.039 20 10 CGCDRN CC(C)CC[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000858240640 638661595 /nfs/dbraw/zinc/66/15/95/638661595.db2.gz CKOLXVDZWSKOMG-SNVBAGLBSA-N 0 0 289.778 3.071 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC2(CC(C)C)CC2)c1 ZINC000858292365 638674365 /nfs/dbraw/zinc/67/43/65/638674365.db2.gz HIKQSEJUEWTPQX-UHFFFAOYSA-N 0 0 290.407 3.326 20 10 CGCDRN C[C@H](Nc1cnn(CCF)c1)c1cc(Cl)ccc1O ZINC000858491600 638740392 /nfs/dbraw/zinc/74/03/92/638740392.db2.gz LGLKHAUUCSGHDY-VIFPVBQESA-N 0 0 283.734 3.385 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1nccnc1F ZINC000858533569 638756696 /nfs/dbraw/zinc/75/66/96/638756696.db2.gz VFDQWMZCNXHCAO-UHFFFAOYSA-N 0 0 275.327 3.128 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858543597 638758519 /nfs/dbraw/zinc/75/85/19/638758519.db2.gz MOWSWLYRDQRNCW-HLTSFMKQSA-N 0 0 290.190 3.121 20 10 CGCDRN CCC[C@H](O)CC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000927013893 638831687 /nfs/dbraw/zinc/83/16/87/638831687.db2.gz AKTXGKHOACLJFA-GXTWGEPZSA-N 0 0 269.360 3.123 20 10 CGCDRN CC[C@H](CC(F)(F)F)C(=O)NCc1c(O)cccc1F ZINC000928706272 638889436 /nfs/dbraw/zinc/88/94/36/638889436.db2.gz QFYYAMFKBWGFJE-MRVPVSSYSA-N 0 0 293.260 3.126 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1sccc1C1CC1 ZINC000928710338 638889725 /nfs/dbraw/zinc/88/97/25/638889725.db2.gz BTWKUCNQQQNVMJ-UHFFFAOYSA-N 0 0 291.347 3.400 20 10 CGCDRN CCc1onc(C)c1CN1CCc2cc(OC)ccc21 ZINC000929921315 638961776 /nfs/dbraw/zinc/96/17/76/638961776.db2.gz NJEFZQNIMMXAIT-UHFFFAOYSA-N 0 0 272.348 3.117 20 10 CGCDRN CCN(C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000859362892 639132804 /nfs/dbraw/zinc/13/28/04/639132804.db2.gz OZDXNXASJJPILS-UHFFFAOYSA-N 0 0 285.391 3.255 20 10 CGCDRN O=C(Nc1cccc(C2CC2)n1)N1Cc2cccc(O)c2C1 ZINC000931551758 639168746 /nfs/dbraw/zinc/16/87/46/639168746.db2.gz MKOKXRGPWYATBE-UHFFFAOYSA-N 0 0 295.342 3.212 20 10 CGCDRN CCC[C@H](OCC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000860950093 639473490 /nfs/dbraw/zinc/47/34/90/639473490.db2.gz INQCKLVUHVCXSE-CJNGLKHVSA-N 0 0 292.423 3.135 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CSc2ccccc21 ZINC000118494116 639609060 /nfs/dbraw/zinc/60/90/60/639609060.db2.gz DUPBRKIBJBNMFG-AWEZNQCLSA-N 0 0 299.395 3.240 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC000862027588 639636079 /nfs/dbraw/zinc/63/60/79/639636079.db2.gz XRNBTJCJFZMHEV-TZMCWYRMSA-N 0 0 298.386 3.383 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)cc1 ZINC000042117883 639911447 /nfs/dbraw/zinc/91/14/47/639911447.db2.gz AXVFWHZWDGRZNX-UHFFFAOYSA-N 0 0 275.735 3.318 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCOC1 ZINC000042153444 639911890 /nfs/dbraw/zinc/91/18/90/639911890.db2.gz XMAGQMYAGCNXPE-LBPRGKRZSA-N 0 0 274.389 3.216 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC(C)C ZINC000048608005 640061568 /nfs/dbraw/zinc/06/15/68/640061568.db2.gz RPWBDZPCBUPYLB-UHFFFAOYSA-N 0 0 262.378 3.294 20 10 CGCDRN CCCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159621 640122115 /nfs/dbraw/zinc/12/21/15/640122115.db2.gz HFLHYCDDXQMFSS-UHFFFAOYSA-N 0 0 275.392 3.468 20 10 CGCDRN CC(C)[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075160194 640122870 /nfs/dbraw/zinc/12/28/70/640122870.db2.gz GUBGMIUNQTUZDH-GFCCVEGCSA-N 0 0 275.392 3.179 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ncccn1 ZINC000192089154 640349374 /nfs/dbraw/zinc/34/93/74/640349374.db2.gz CLVXCCPPVUWPKK-UHFFFAOYSA-N 0 0 291.301 3.031 20 10 CGCDRN CCSc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000193069452 640430045 /nfs/dbraw/zinc/43/00/45/640430045.db2.gz ABVYZEGYDGRBES-UHFFFAOYSA-N 0 0 289.356 3.462 20 10 CGCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1O ZINC000193165595 640437465 /nfs/dbraw/zinc/43/74/65/640437465.db2.gz BDVGEANFMUKTKV-CQSZACIVSA-N 0 0 297.354 3.075 20 10 CGCDRN C[C@@H](O)CN(Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000193358510 640451769 /nfs/dbraw/zinc/45/17/69/640451769.db2.gz ZIVZJWGYZKPWRR-OAHLLOKOSA-N 0 0 284.403 3.140 20 10 CGCDRN Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(N)cc2)s1 ZINC000080248017 640458384 /nfs/dbraw/zinc/45/83/84/640458384.db2.gz DYGOBQNUALFNCN-JTQLQIEISA-N 0 0 289.404 3.391 20 10 CGCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2O)c1 ZINC000088716768 640622357 /nfs/dbraw/zinc/62/23/57/640622357.db2.gz GIQZCOANKSEJLN-UHFFFAOYSA-N 0 0 258.277 3.221 20 10 CGCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000248527070 640766745 /nfs/dbraw/zinc/76/67/45/640766745.db2.gz VJKNOLVADFGLAO-HFAKWTLXSA-N 0 0 293.338 3.287 20 10 CGCDRN CC(C)OC[C@@H](O)CSc1ncc(C(C)(C)C)s1 ZINC000305430329 640892320 /nfs/dbraw/zinc/89/23/20/640892320.db2.gz DRHMFUQDAWTGRN-SNVBAGLBSA-N 0 0 289.466 3.319 20 10 CGCDRN COc1cc2nc(-c3ccc(O)c(O)c3)[nH]c2cc1Cl ZINC001250464636 805631973 /nfs/dbraw/zinc/63/19/73/805631973.db2.gz GYOXYEAPWUZURQ-UHFFFAOYSA-N 0 0 290.706 3.303 20 10 CGCDRN COc1ccc2nc(-c3ccc(N(C)C)cc3)n(C)c2c1 ZINC001250468604 805635999 /nfs/dbraw/zinc/63/59/99/805635999.db2.gz GUMHYTXMHPRXHP-UHFFFAOYSA-N 0 0 281.359 3.315 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2ccn3ccccc23)c(O)c1 ZINC001156475179 805702402 /nfs/dbraw/zinc/70/24/02/805702402.db2.gz SWRBOOHXVAVMTJ-UHFFFAOYSA-N 0 0 294.354 3.192 20 10 CGCDRN CC(C)c1cncnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156924051 805752785 /nfs/dbraw/zinc/75/27/85/805752785.db2.gz MWIQJJHAROUQGD-UHFFFAOYSA-N 0 0 284.407 3.302 20 10 CGCDRN CCCc1cncnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156924362 805753323 /nfs/dbraw/zinc/75/33/23/805753323.db2.gz YSBSRMOEKLWAAB-UHFFFAOYSA-N 0 0 284.407 3.132 20 10 CGCDRN Cc1c2nc(-c3cc(O)c(O)cc3O)[nH]c2ccc1Cl ZINC001251355359 805886961 /nfs/dbraw/zinc/88/69/61/805886961.db2.gz HQBQQYQBMFTGLQ-UHFFFAOYSA-N 0 0 290.706 3.309 20 10 CGCDRN Cc1cc(C)cc(C(=O)c2ccccc2NC[C@H](C)O)c1 ZINC001251967702 805959460 /nfs/dbraw/zinc/95/94/60/805959460.db2.gz BSPAOLPVGPESOL-AWEZNQCLSA-N 0 0 283.371 3.327 20 10 CGCDRN CCOC(=O)c1ccc(F)c(Nc2ccc(N)cc2)c1 ZINC001159591417 806126526 /nfs/dbraw/zinc/12/65/26/806126526.db2.gz PGDMQTMEPMFPBC-UHFFFAOYSA-N 0 0 274.295 3.328 20 10 CGCDRN COC(=O)c1ccc(C)cc1Nc1ccc(N)cc1 ZINC001159624401 806135999 /nfs/dbraw/zinc/13/59/99/806135999.db2.gz RNHONRWEZMPYRZ-UHFFFAOYSA-N 0 0 256.305 3.107 20 10 CGCDRN COCc1ccnc(NCc2cc3ccccc3cc2O)n1 ZINC001160206458 806235342 /nfs/dbraw/zinc/23/53/42/806235342.db2.gz JITDNNUKEFUVRI-UHFFFAOYSA-N 0 0 295.342 3.094 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1cnc2cc[nH]c2n1 ZINC001160206739 806234818 /nfs/dbraw/zinc/23/48/18/806234818.db2.gz RBDJLZCZDJBRES-UHFFFAOYSA-N 0 0 290.326 3.429 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1ccnc2ccnn21 ZINC001160205801 806234855 /nfs/dbraw/zinc/23/48/55/806234855.db2.gz GRDDKYJJEXTGSA-UHFFFAOYSA-N 0 0 290.326 3.200 20 10 CGCDRN COC(=O)c1cccc(Nc2ccc(N)cc2)c1Cl ZINC001160217026 806236133 /nfs/dbraw/zinc/23/61/33/806236133.db2.gz HNNHBODPGVRIEJ-UHFFFAOYSA-N 0 0 276.723 3.452 20 10 CGCDRN Cc1cc(N2CCCC2)nc(NCc2cccc(C)c2O)[nH+]1 ZINC001160765082 806300042 /nfs/dbraw/zinc/30/00/42/806300042.db2.gz RHSLMCBKEUDGMV-UHFFFAOYSA-N 0 0 298.390 3.011 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(C)nc2C)c(O)c1 ZINC001160808658 806306126 /nfs/dbraw/zinc/30/61/26/806306126.db2.gz XEHWVRRGXONUOR-UHFFFAOYSA-N 0 0 257.337 3.028 20 10 CGCDRN Nc1ccc(CNC(F)(F)c2ccnc(Cl)c2)cc1 ZINC001162784525 806664753 /nfs/dbraw/zinc/66/47/53/806664753.db2.gz QDSLKIADNUMNKR-UHFFFAOYSA-N 0 0 283.709 3.156 20 10 CGCDRN Nc1ccc(CNc2ccc(-c3ccncc3)cn2)cc1 ZINC001162787048 806665867 /nfs/dbraw/zinc/66/58/67/806665867.db2.gz FTEYYNUAIGVCSY-UHFFFAOYSA-N 0 0 276.343 3.338 20 10 CGCDRN Nc1ccc(CNc2cc(Cl)ncc2F)cc1 ZINC001162786456 806666049 /nfs/dbraw/zinc/66/60/49/806666049.db2.gz WHPVVUYWFWGBQX-UHFFFAOYSA-N 0 0 251.692 3.068 20 10 CGCDRN Nc1ccc(CNc2ccc(-c3ccsc3)nn2)cc1 ZINC001162787969 806666154 /nfs/dbraw/zinc/66/61/54/806666154.db2.gz VLTZWXCVNHEVEB-UHFFFAOYSA-N 0 0 282.372 3.399 20 10 CGCDRN CN(C(=O)CSc1ccc(F)cc1)c1ccc(N)cc1 ZINC000037285628 798865402 /nfs/dbraw/zinc/86/54/02/798865402.db2.gz FXVLNIXSNJDDEN-UHFFFAOYSA-N 0 0 290.363 3.163 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000037322987 798865960 /nfs/dbraw/zinc/86/59/60/798865960.db2.gz FPDVGIGBHUKGTR-UHFFFAOYSA-N 0 0 269.772 3.479 20 10 CGCDRN CCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000048642736 798893456 /nfs/dbraw/zinc/89/34/56/798893456.db2.gz BUWVZTRDTFXLLV-FMIVXFBMSA-N 0 0 293.413 3.306 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc3c(c2)CCC(=O)N3)c1 ZINC000071407798 798916978 /nfs/dbraw/zinc/91/69/78/798916978.db2.gz DOIVRAVRNMRQHN-UHFFFAOYSA-N 0 0 282.343 3.197 20 10 CGCDRN CCCCN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000212672466 799134475 /nfs/dbraw/zinc/13/44/75/799134475.db2.gz WBVJCUMMXUCTNA-CLFYSBASSA-N 0 0 292.335 3.017 20 10 CGCDRN C[C@@H](Nc1cccc(CCO)c1)c1ccccc1O ZINC000313195920 799230747 /nfs/dbraw/zinc/23/07/47/799230747.db2.gz LWMMHDBHXSNYPR-GFCCVEGCSA-N 0 0 257.333 3.100 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1cccc(C)c1 ZINC000588518694 799704986 /nfs/dbraw/zinc/70/49/86/799704986.db2.gz SBKIFUPFSHWDOK-FPLPWBNLSA-N 0 0 272.373 3.436 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000688149130 799744829 /nfs/dbraw/zinc/74/48/29/799744829.db2.gz RDQKLWYVHGERGV-CQSZACIVSA-N 0 0 259.353 3.065 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccccc1O ZINC000693072223 799805607 /nfs/dbraw/zinc/80/56/07/799805607.db2.gz DHANWPKHGZDAGU-TZMCWYRMSA-N 0 0 263.381 3.248 20 10 CGCDRN CC(C)[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000694614117 799822425 /nfs/dbraw/zinc/82/24/25/799822425.db2.gz KYSHHKQXJQWCTR-LBPRGKRZSA-N 0 0 261.369 3.169 20 10 CGCDRN Nc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000700564617 799872418 /nfs/dbraw/zinc/87/24/18/799872418.db2.gz DPGAAZAANPWMGE-WTKPLQERSA-N 0 0 256.280 3.060 20 10 CGCDRN C[C@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CC=CCC1 ZINC000703308264 799922176 /nfs/dbraw/zinc/92/21/76/799922176.db2.gz OFHMGAJURIIKJD-AWEZNQCLSA-N 0 0 253.292 3.259 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1[O-] ZINC000711470747 800061224 /nfs/dbraw/zinc/06/12/24/800061224.db2.gz DFLHBLRVBBKJLJ-WCQYABFASA-N 0 0 279.355 3.284 20 10 CGCDRN COc1cc(CN2Cc3cccc(F)c3C2)c(O)cc1C ZINC000840162662 800496326 /nfs/dbraw/zinc/49/63/26/800496326.db2.gz WUPRUIIZLVRVPH-UHFFFAOYSA-N 0 0 287.334 3.364 20 10 CGCDRN CCc1cc(C)nc(NCc2cccc(Cl)c2O)n1 ZINC000897392271 800589108 /nfs/dbraw/zinc/58/91/08/800589108.db2.gz UYSOTOCLUVSUPF-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1F ZINC001164047562 806880806 /nfs/dbraw/zinc/88/08/06/806880806.db2.gz GAXNDLIMAZLKLO-GFCCVEGCSA-N 0 0 279.336 3.474 20 10 CGCDRN Cc1cc2cc(NCc3ccccc3O)ccc2n(C)c1=O ZINC001117681786 802476693 /nfs/dbraw/zinc/47/66/93/802476693.db2.gz ZWPXAIOVCUJUED-UHFFFAOYSA-N 0 0 294.354 3.165 20 10 CGCDRN Cc1nc([C@H](C)NCc2ccc3ccccc3c2O)no1 ZINC001117760278 802489442 /nfs/dbraw/zinc/48/94/42/802489442.db2.gz TWXOAUKRNBSAFB-JTQLQIEISA-N 0 0 283.331 3.088 20 10 CGCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C1=CCOCC1 ZINC001176140255 809633260 /nfs/dbraw/zinc/63/32/60/809633260.db2.gz RSYKPNDWBNIADB-KQHBBDLCSA-N 0 0 295.346 3.226 20 10 CGCDRN CCn1ncc(NCc2ccc(N3CCCC3)cc2)c1C ZINC001119027742 802628593 /nfs/dbraw/zinc/62/85/93/802628593.db2.gz DWEYXQJDATXYSY-UHFFFAOYSA-N 0 0 284.407 3.424 20 10 CGCDRN CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC001119236985 802637122 /nfs/dbraw/zinc/63/71/22/802637122.db2.gz KYFCFVVGONNZCB-WDEREUQCSA-N 0 0 287.375 3.386 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001128704112 803201513 /nfs/dbraw/zinc/20/15/13/803201513.db2.gz DLXQKGJHYRGQIW-RKDXNWHRSA-N 0 0 293.754 3.497 20 10 CGCDRN Cn1ccc2ncc(-c3ccc(Cl)cc3N)cc21 ZINC001244203446 803241847 /nfs/dbraw/zinc/24/18/47/803241847.db2.gz RCFGGZNVFLJWGK-UHFFFAOYSA-N 0 0 257.724 3.476 20 10 CGCDRN Cn1c(=O)ccc2ccc(-c3cnccc3C3CC3)cc21 ZINC001244283809 803278673 /nfs/dbraw/zinc/27/86/73/803278673.db2.gz FKCRQOYXZMWSBZ-UHFFFAOYSA-N 0 0 276.339 3.478 20 10 CGCDRN Cn1c(=O)cc(-c2cnccc2C2CC2)c2ccccc21 ZINC001244285791 803278925 /nfs/dbraw/zinc/27/89/25/803278925.db2.gz NPLBQGTWHXIBCH-UHFFFAOYSA-N 0 0 276.339 3.478 20 10 CGCDRN Cc1cc(C)c(N)c(-c2ccnc3c2ccn3C)c1 ZINC001244616051 803465823 /nfs/dbraw/zinc/46/58/23/803465823.db2.gz KCSPZAHEJLSUIV-UHFFFAOYSA-N 0 0 251.333 3.439 20 10 CGCDRN CCN(Cc1ccccc1O)Cc1cccnc1Cl ZINC001137427732 803732576 /nfs/dbraw/zinc/73/25/76/803732576.db2.gz WMYNHSLHMKILQQ-UHFFFAOYSA-N 0 0 276.767 3.463 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001137837303 803780313 /nfs/dbraw/zinc/78/03/13/803780313.db2.gz AMVSUCHOJXLSOO-CYBMUJFWSA-N 0 0 286.350 3.306 20 10 CGCDRN Cc1c(CN2CCn3cccc3C2)c2ccccc2n1C ZINC001138257075 803882896 /nfs/dbraw/zinc/88/28/96/803882896.db2.gz UTDLDBSNBCXRGN-UHFFFAOYSA-N 0 0 279.387 3.304 20 10 CGCDRN CC(=O)[C@@H]1CCCC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138258337 803883570 /nfs/dbraw/zinc/88/35/70/803883570.db2.gz QNACOAHXQGNCFX-KRWDZBQOSA-N 0 0 284.403 3.430 20 10 CGCDRN CC(=O)[C@@H]1CCC[N@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138259614 803885543 /nfs/dbraw/zinc/88/55/43/803885543.db2.gz LEEIOXBYWMQWHH-INIZCTEOSA-N 0 0 270.376 3.040 20 10 CGCDRN Cc1nc2c(s1)CN(Cc1ccc3c(c1)CCCN3C)C2 ZINC001138359288 803903344 /nfs/dbraw/zinc/90/33/44/803903344.db2.gz PITNSPZIAJWNHY-UHFFFAOYSA-N 0 0 299.443 3.350 20 10 CGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]2C)c(OC)c1 ZINC001138386827 803913326 /nfs/dbraw/zinc/91/33/26/803913326.db2.gz XOHKXDGHCUHAAC-ZDUSSCGKSA-N 0 0 262.397 3.136 20 10 CGCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CF)c(OC)c1 ZINC001138391257 803914275 /nfs/dbraw/zinc/91/42/75/803914275.db2.gz DJWKTTABJLEINB-MRXNPFEDSA-N 0 0 294.414 3.475 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CC2)CC1 ZINC001139681162 804250261 /nfs/dbraw/zinc/25/02/61/804250261.db2.gz KGTNAVRTXFIVAF-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2csc(Cl)n2)cc1 ZINC001139979570 804341177 /nfs/dbraw/zinc/34/11/77/804341177.db2.gz RCKCUNLUAGAECL-UHFFFAOYSA-N 0 0 295.839 3.495 20 10 CGCDRN Oc1ccc(F)cc1CN1CCCCC(F)(F)C1 ZINC001140057627 804366103 /nfs/dbraw/zinc/36/61/03/804366103.db2.gz IKPOGMPDPTXFEH-UHFFFAOYSA-N 0 0 259.271 3.153 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583110 804466379 /nfs/dbraw/zinc/46/63/79/804466379.db2.gz WHYITUMRAYRPPH-SNVBAGLBSA-N 0 0 255.308 3.292 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC2(CCCC2)C1 ZINC001140583584 804466397 /nfs/dbraw/zinc/46/63/97/804466397.db2.gz MIEVMCVFFULJKA-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN CC[N@H+](Cc1cccnc1)Cc1c([O-])cc(F)cc1F ZINC001140583417 804466892 /nfs/dbraw/zinc/46/68/92/804466892.db2.gz FUNHRHPISDGCGL-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN Cc1ccc(O)c(CN2CC(Oc3ccccc3F)C2)c1 ZINC001140623068 804476619 /nfs/dbraw/zinc/47/66/19/804476619.db2.gz KZSXFOBJOABETP-UHFFFAOYSA-N 0 0 287.334 3.103 20 10 CGCDRN CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001141271572 804625829 /nfs/dbraw/zinc/62/58/29/804625829.db2.gz YHORXIANUZPAPY-GOSISDBHSA-N 0 0 299.370 3.154 20 10 CGCDRN Cc1cccc(CNC(=S)Nc2c(F)cccc2F)n1 ZINC001247030379 804646992 /nfs/dbraw/zinc/64/69/92/804646992.db2.gz FQQRLTVASLXYPS-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(O)c1)c1cc(C)cc(C)c1 ZINC001142033592 804690289 /nfs/dbraw/zinc/69/02/89/804690289.db2.gz HLYOYYPOFHZIGE-WAYWQWQTSA-N 0 0 296.370 3.470 20 10 CGCDRN CC/C=C(/F)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001142419455 804721877 /nfs/dbraw/zinc/72/18/77/804721877.db2.gz RSMUGBFLLAZIHZ-HFVKVNHUSA-N 0 0 292.398 3.372 20 10 CGCDRN Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccccc2)c(O)c1 ZINC001144504477 804998042 /nfs/dbraw/zinc/99/80/42/804998042.db2.gz NHTSCFSBUTVLFU-AWEZNQCLSA-N 0 0 299.370 3.093 20 10 CGCDRN Cc1c(F)c(F)cc(C(=O)NCc2ccccc2O)c1F ZINC001148735395 805207130 /nfs/dbraw/zinc/20/71/30/805207130.db2.gz ZRRVBHDHUQHKQO-UHFFFAOYSA-N 0 0 295.260 3.048 20 10 CGCDRN C[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1O ZINC001151886212 805319919 /nfs/dbraw/zinc/31/99/19/805319919.db2.gz ZMZKYPZKNLFANR-SNVBAGLBSA-N 0 0 259.280 3.022 20 10 CGCDRN C[C@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1O ZINC001151892685 805320350 /nfs/dbraw/zinc/32/03/50/805320350.db2.gz VMUHZOHBYAGFNV-LBPRGKRZSA-N 0 0 292.338 3.431 20 10 CGCDRN C[C@H](NC(=O)/C=C\c1ccccc1)c1ccccc1O ZINC001151899168 805321625 /nfs/dbraw/zinc/32/16/25/805321625.db2.gz AOGSTGVULHFMFT-HHQWOOOKSA-N 0 0 267.328 3.283 20 10 CGCDRN COc1ccc(Cl)cc1N(CCO)c1ccc(N)cc1 ZINC001250207786 805490307 /nfs/dbraw/zinc/49/03/07/805490307.db2.gz RDOFELRRMMUYQY-UHFFFAOYSA-N 0 0 292.766 3.061 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc(Cl)nc1C ZINC001154888337 805504081 /nfs/dbraw/zinc/50/40/81/805504081.db2.gz ADWQBWGTKPOJMV-UHFFFAOYSA-N 0 0 277.755 3.171 20 10 CGCDRN Cc1cncc(-c2noc(-c3nnsc3C(C)C)n2)c1 ZINC001212687348 815103422 /nfs/dbraw/zinc/10/34/22/815103422.db2.gz OJUGWVRYXBKJFA-UHFFFAOYSA-N 0 0 287.348 3.082 20 10 CGCDRN CCOc1ccc(N(CC)C[C@@H]2CCO[C@H]2C)cc1 ZINC001167984832 807290218 /nfs/dbraw/zinc/29/02/18/807290218.db2.gz XMJFARMNZJFCKW-KBPBESRZSA-N 0 0 263.381 3.337 20 10 CGCDRN CN(c1nnc(C2SC=CC2=O)n1C)C1CCCCC1 ZINC001262854252 807921766 /nfs/dbraw/zinc/92/17/66/807921766.db2.gz FGVJZQDAJUINGX-UHFFFAOYSA-N 0 0 292.408 3.018 20 10 CGCDRN Cc1nc2cc(C(=O)N[C@@H](C)c3ccccc3O)ccc2o1 ZINC001171730946 808126722 /nfs/dbraw/zinc/12/67/22/808126722.db2.gz TZKGBBTXAMXVME-JTQLQIEISA-N 0 0 296.326 3.333 20 10 CGCDRN C[C@H](NC(=O)/C=C/C=C(Cl)Cl)c1ccccc1O ZINC001171730933 808127129 /nfs/dbraw/zinc/12/71/29/808127129.db2.gz SGVDTCJFXBJLFJ-SGDMMICCSA-N 0 0 286.158 3.445 20 10 CGCDRN O=C(c1ccccc1)c1ccccc1Nc1cn[nH]c1 ZINC001174292930 808936457 /nfs/dbraw/zinc/93/64/57/808936457.db2.gz CHWGPFDKYALLCX-UHFFFAOYSA-N 0 0 263.300 3.384 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(N2CCCCC2)nc1 ZINC001174522823 809061248 /nfs/dbraw/zinc/06/12/48/809061248.db2.gz CSERHOCEGCBJEV-UHFFFAOYSA-N 0 0 282.391 3.422 20 10 CGCDRN Oc1ccc(F)cc1Nc1ccncc1C(F)(F)F ZINC001174627403 809109032 /nfs/dbraw/zinc/10/90/32/809109032.db2.gz VJWKAXGONQGHHH-UHFFFAOYSA-N 0 0 272.201 3.111 20 10 CGCDRN Oc1ccc2ccccc2c1Nc1ccncc1F ZINC001175198695 809305132 /nfs/dbraw/zinc/30/51/32/809305132.db2.gz MNNWZWBVCGVAFE-UHFFFAOYSA-N 0 0 254.264 3.245 20 10 CGCDRN COc1ccc(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)c(O)c1 ZINC001296968486 809510773 /nfs/dbraw/zinc/51/07/73/809510773.db2.gz PBRGSGYNJNXDBV-VXGBXAGGSA-N 0 0 293.407 3.335 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC1CCC1 ZINC001299072520 809544111 /nfs/dbraw/zinc/54/41/11/809544111.db2.gz HWIKTDDRGAKMMZ-UHFFFAOYSA-N 0 0 296.370 3.189 20 10 CGCDRN COc1cc(Cl)cc(N(CCO)c2ccc(N)cc2)c1 ZINC001176344432 809673840 /nfs/dbraw/zinc/67/38/40/809673840.db2.gz JRXDTCDFZLOGDR-UHFFFAOYSA-N 0 0 292.766 3.061 20 10 CGCDRN CN(c1ccc(N)cc1)c1c(F)cc(F)c(O)c1F ZINC001176670862 809739647 /nfs/dbraw/zinc/73/96/47/809739647.db2.gz OBNBCEPKJYDEIM-UHFFFAOYSA-N 0 0 268.238 3.160 20 10 CGCDRN Cc1cc(C)cc(CC(=O)NCc2c(O)cccc2F)c1 ZINC001178412872 809865151 /nfs/dbraw/zinc/86/51/51/809865151.db2.gz ISWOFIZCBPSKEA-UHFFFAOYSA-N 0 0 287.334 3.007 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1C[C@@H]1C ZINC001178565167 809876602 /nfs/dbraw/zinc/87/66/02/809876602.db2.gz IMWOQISJHDTLNB-PKWAYOAASA-N 0 0 287.403 3.405 20 10 CGCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1cccc(Cl)c1O ZINC001180410522 809998876 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ZINC001231561380 818124527 /nfs/dbraw/zinc/12/45/27/818124527.db2.gz TUDOMDVOFCYPIT-LBPRGKRZSA-N 0 0 297.354 3.210 20 10 CGCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC001231561243 818124567 /nfs/dbraw/zinc/12/45/67/818124567.db2.gz QFAPBNKUSVXQGH-UHFFFAOYSA-N 0 0 289.375 3.247 20 10 CGCDRN Oc1ccc2ccccc2c1C[N@@H+]1CCn2cccc2C1 ZINC001231590375 818129964 /nfs/dbraw/zinc/12/99/64/818129964.db2.gz XAHCJZAZIKSBKK-UHFFFAOYSA-N 0 0 278.355 3.363 20 10 CGCDRN Oc1c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)ccc2ccccc21 ZINC001231880462 818199320 /nfs/dbraw/zinc/19/93/20/818199320.db2.gz GJGUKHDPFHOYIQ-PHZGNYQRSA-N 0 0 271.335 3.193 20 10 CGCDRN Oc1c(CN2Cc3ccncc3C2)ccc2ccccc21 ZINC001231882823 818202779 /nfs/dbraw/zinc/20/27/79/818202779.db2.gz WGHNNIHFBVZWEV-UHFFFAOYSA-N 0 0 276.339 3.456 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001231910920 818209163 /nfs/dbraw/zinc/20/91/63/818209163.db2.gz VUSPZDJQUBTYTI-UHFFFAOYSA-N 0 0 289.762 3.310 20 10 CGCDRN COc1cc(O)c(CN2Cc3ncsc3C2)cc1Cl ZINC001232267419 818296993 /nfs/dbraw/zinc/29/69/93/818296993.db2.gz BOAYEMAJAHEEAS-UHFFFAOYSA-N 0 0 296.779 3.027 20 10 CGCDRN Oc1cc(O)c(CN2Cc3ccc(F)cc3C2)cc1Cl ZINC001232268360 818301005 /nfs/dbraw/zinc/30/10/05/818301005.db2.gz OSMFYBIBFRGBHT-UHFFFAOYSA-N 0 0 293.725 3.406 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001233334698 818586348 /nfs/dbraw/zinc/58/63/48/818586348.db2.gz QJFPFLQNJXICBX-GFCCVEGCSA-N 0 0 290.313 3.055 20 10 CGCDRN CSCC[N@H+](C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418974 818614825 /nfs/dbraw/zinc/61/48/25/818614825.db2.gz DQGLPILKZZMWNF-UHFFFAOYSA-N 0 0 279.327 3.206 20 10 CGCDRN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])[C@H]1CCCOC1 ZINC001233419633 818615099 /nfs/dbraw/zinc/61/50/99/818615099.db2.gz HCOIHQMZIJIJEY-NSHDSACASA-N 0 0 289.297 3.022 20 10 CGCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CCO[C@H](C)C1 ZINC001233494990 818627380 /nfs/dbraw/zinc/62/73/80/818627380.db2.gz ADKOXSMLPHVEPE-MNOVXSKESA-N 0 0 294.347 3.027 20 10 CGCDRN CC(C)Oc1ncccc1-c1cc(=O)n(C)c2ccccc12 ZINC001236108892 819324452 /nfs/dbraw/zinc/32/44/52/819324452.db2.gz KCAVVQGTTPUSET-UHFFFAOYSA-N 0 0 294.354 3.388 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCc3cccc(O)c3C2)n1 ZINC001236648112 819560227 /nfs/dbraw/zinc/56/02/27/819560227.db2.gz RZPMXGZYOYXGHA-UHFFFAOYSA-N 0 0 288.778 3.307 20 10 CGCDRN CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236805518 819601411 /nfs/dbraw/zinc/60/14/11/819601411.db2.gz AXIWMOYCOLZEDH-LLVKDONJSA-N 0 0 269.772 3.429 20 10 CGCDRN Oc1cc(Cl)c(Cl)cc1CN1CC(C(F)F)C1 ZINC001236804814 819602202 /nfs/dbraw/zinc/60/22/02/819602202.db2.gz UCASHTRJNXKSAS-UHFFFAOYSA-N 0 0 282.117 3.396 20 10 CGCDRN CN(C)C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236842513 819619040 /nfs/dbraw/zinc/61/90/40/819619040.db2.gz WPXBFELQWZWCOA-KRWDZBQOSA-N 0 0 284.403 3.071 20 10 CGCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(O)c1 ZINC001237048896 819652725 /nfs/dbraw/zinc/65/27/25/819652725.db2.gz JOLLCOHQDDJPJP-QGZVFWFLSA-N 0 0 275.392 3.271 20 10 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0 292.398 3.287 20 10 CGCDRN CC[C@@H](CC(=O)NCc1c(O)cccc1O)C(C)(C)C ZINC001558536147 938216071 /nfs/dbraw/zinc/21/60/71/938216071.db2.gz UMUJLNFYJURMTP-NSHDSACASA-N 0 0 279.380 3.176 20 10 CGCDRN COc1cccc(NC/C=C/c2ccc(N(C)C)cc2)n1 ZINC001560530340 938261971 /nfs/dbraw/zinc/26/19/71/938261971.db2.gz HTPQTQHREYAZAM-AATRIKPKSA-N 0 0 283.375 3.282 20 10 CGCDRN CC1(C)CCC(O)(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC001560542728 938262173 /nfs/dbraw/zinc/26/21/73/938262173.db2.gz QGQUNFQDBFUQSD-UHFFFAOYSA-N 0 0 299.361 3.091 20 10 CGCDRN COc1ccc(O)c(CN[C@H](c2ccccc2)C(F)F)c1 ZINC001561058375 938292632 /nfs/dbraw/zinc/29/26/32/938292632.db2.gz OHAHODRTAUODRZ-OAHLLOKOSA-N 0 0 293.313 3.497 20 10 CGCDRN O=C([O-])CCCCC[NH2+]Cc1ccc2ccccc2c1O ZINC001611434742 971052926 /nfs/dbraw/zinc/05/29/26/971052926.db2.gz WFFGCLDGZQWYCA-UHFFFAOYSA-N 0 0 287.359 3.280 20 10 CGCDRN CC[C@@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CC1(C)C ZINC001564951656 960710249 /nfs/dbraw/zinc/71/02/49/960710249.db2.gz BAUGJXSOIUEXBN-WCQYABFASA-N 0 0 294.370 3.155 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC/C=C/c2ccccc2)c1 ZINC001565414773 960776514 /nfs/dbraw/zinc/77/65/14/960776514.db2.gz ASQCKBNOXAJQDA-VMPITWQZSA-N 0 0 296.370 3.213 20 10 CGCDRN CCc1cc(NC(=O)C2=CC(=O)CS2)c2ccccc2n1 ZINC001567495352 961362380 /nfs/dbraw/zinc/36/23/80/961362380.db2.gz IHPIGYGCJLTHRQ-UHFFFAOYSA-N 0 0 298.367 3.239 20 10 CGCDRN C[C@@H](C1CC1)n1nccc1NCc1ccc(N)cc1 ZINC001575911045 962416200 /nfs/dbraw/zinc/41/62/00/962416200.db2.gz DQDJRXJZGWQAHB-NSHDSACASA-N 0 0 256.353 3.048 20 10 CGCDRN CCCCN(C(=O)Cc1ccc(N)cc1)c1ccccn1 ZINC001577442172 962549387 /nfs/dbraw/zinc/54/93/87/962549387.db2.gz YLWGYHBQZWIBBT-UHFFFAOYSA-N 0 0 283.375 3.040 20 10 CGCDRN COc1c(C)cc(C(=O)Nc2ccc(N)cc2)cc1C ZINC001579135234 962608634 /nfs/dbraw/zinc/60/86/34/962608634.db2.gz WITNJYJROJETDW-UHFFFAOYSA-N 0 0 270.332 3.147 20 10 CGCDRN Cc1noc(Cc2ccc(NCc3ccc(N)cc3)cc2)n1 ZINC001579923472 962680585 /nfs/dbraw/zinc/68/05/85/962680585.db2.gz WWHCMALEBYTPSX-UHFFFAOYSA-N 0 0 294.358 3.163 20 10 CGCDRN Nc1ccc(CCNc2nc3cccc(F)c3o2)cc1 ZINC001580443557 962726302 /nfs/dbraw/zinc/72/63/02/962726302.db2.gz PUNSYJHTYHOLQA-UHFFFAOYSA-N 0 0 271.295 3.204 20 10 CGCDRN C/C(=C\C(=O)N1C[C@@H](C)c2ccccc21)c1cnccn1 ZINC001585535677 963020112 /nfs/dbraw/zinc/02/01/12/963020112.db2.gz XUGLJKLOAGRIDK-CNELAYHGSA-N 0 0 279.343 3.030 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N1CCc2ccc(F)cc21 ZINC001586505040 963111017 /nfs/dbraw/zinc/11/10/17/963111017.db2.gz CJXYAXRRUYKDJR-FNORWQNLSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1scc(CNC(=O)c2ccc(C)c(O)c2O)c1C ZINC001587000193 963163155 /nfs/dbraw/zinc/16/31/55/963163155.db2.gz XNLFENKROCBQKV-UHFFFAOYSA-N 0 0 291.372 3.015 20 10 CGCDRN C[C@H](CC(C)(C)CC(=O)[O-])[NH2+][C@H](C)c1ccccc1O ZINC001592445340 978111730 /nfs/dbraw/zinc/11/17/30/978111730.db2.gz KHXOLQMPJWRGJZ-VXGBXAGGSA-N 0 0 279.380 3.322 20 10 CGCDRN C[C@@H]([NH2+]CC1CC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593251384 994494403 /nfs/dbraw/zinc/49/44/03/994494403.db2.gz DNMVMUMVSAZCKN-SNVBAGLBSA-N 0 0 277.364 3.177 20 10 CGCDRN CS[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187803230 295660604 /nfs/dbraw/zinc/66/06/04/295660604.db2.gz XSOHBHTTZFKSMM-SFYZADRCSA-N 0 0 261.337 3.073 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(C)CCCC2)cc1F ZINC000058733792 345199995 /nfs/dbraw/zinc/19/99/95/345199995.db2.gz QZHFFLOJUOKEON-UHFFFAOYSA-N 0 0 278.371 3.088 20 10 CGCDRN CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000073324477 345437915 /nfs/dbraw/zinc/43/79/15/345437915.db2.gz SEZIRLMXJNKPJS-CYBMUJFWSA-N 0 0 274.389 3.451 20 10 CGCDRN COC[C@H](NCc1ccc(OC)c(C)c1)c1ccc(C)o1 ZINC000080237536 345669145 /nfs/dbraw/zinc/66/91/45/345669145.db2.gz CTBDHOMRIHKDKC-HNNXBMFYSA-N 0 0 289.375 3.382 20 10 CGCDRN C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000191204567 299297465 /nfs/dbraw/zinc/29/74/65/299297465.db2.gz VSTUCKBPMIIWBK-RYUDHWBXSA-N 0 0 298.377 3.053 20 10 CGCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000124567747 370926011 /nfs/dbraw/zinc/92/60/11/370926011.db2.gz VSCYVLZCYKKXDL-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN COc1cc(NCc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000019909341 368780331 /nfs/dbraw/zinc/78/03/31/368780331.db2.gz IDBFGDMONQAINM-UHFFFAOYSA-N 0 0 286.375 3.382 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2CCCC2)cc1 ZINC000047014578 369304215 /nfs/dbraw/zinc/30/42/15/369304215.db2.gz KDCZKCHCBUEFQP-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000092729077 370100620 /nfs/dbraw/zinc/10/06/20/370100620.db2.gz PANRZIDNNYOMFT-CYBMUJFWSA-N 0 0 291.782 3.496 20 10 CGCDRN CN(C(=O)/C=C/c1cccnc1)c1cccc2ncccc21 ZINC000089844090 370048954 /nfs/dbraw/zinc/04/89/54/370048954.db2.gz ONBZUXMEWLJLDX-MDZDMXLPSA-N 0 0 289.338 3.306 20 10 CGCDRN COc1ccc(N(Cc2nnc(C)o2)[C@H](C)C2CC2)cc1 ZINC000111236732 370395210 /nfs/dbraw/zinc/39/52/10/370395210.db2.gz LKTDXIJLAAMTEE-LLVKDONJSA-N 0 0 287.363 3.192 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC1(C2CC2)CCC1 ZINC000133131702 371229416 /nfs/dbraw/zinc/22/94/16/371229416.db2.gz LTOYHVUEFYQJOX-UHFFFAOYSA-N 0 0 288.391 3.114 20 10 CGCDRN CCCOc1ccc(CN[C@H](C)C(F)(F)F)c(O)c1 ZINC000288339075 371735136 /nfs/dbraw/zinc/73/51/36/371735136.db2.gz BEMXHJYEROHZHW-SECBINFHSA-N 0 0 277.286 3.221 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000287746020 371700122 /nfs/dbraw/zinc/70/01/22/371700122.db2.gz ZABKQDWDMLYPDU-ZWNOBZJWSA-N 0 0 269.385 3.325 20 10 CGCDRN Oc1ccc(F)cc1CN1CCOCc2ccccc21 ZINC000291580493 372170898 /nfs/dbraw/zinc/17/08/98/372170898.db2.gz OVSAUZGMNNVEPX-UHFFFAOYSA-N 0 0 273.307 3.068 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccccc2)c1 ZINC000160061415 372208644 /nfs/dbraw/zinc/20/86/44/372208644.db2.gz BVUXMYDXFPYKNB-CMDGGOBGSA-N 0 0 252.317 3.066 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000159932500 372194697 /nfs/dbraw/zinc/19/46/97/372194697.db2.gz RVFNMFSVTNVUEV-PWSUYJOCSA-N 0 0 267.344 3.140 20 10 CGCDRN COC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000293547787 372407949 /nfs/dbraw/zinc/40/79/49/372407949.db2.gz GSXNUJIZMMLUTJ-GFCCVEGCSA-N 0 0 299.729 3.255 20 10 CGCDRN CCc1nc(C(C)C)ccc1C(=O)NCc1ccccc1O ZINC000293766099 372475301 /nfs/dbraw/zinc/47/53/01/372475301.db2.gz SGBDSADDDRMXIK-UHFFFAOYSA-N 0 0 298.386 3.403 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000293733151 372464165 /nfs/dbraw/zinc/46/41/65/372464165.db2.gz WOCGSHHGIPCCFO-PSOPSSQASA-N 0 0 299.773 3.232 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293973925 372542950 /nfs/dbraw/zinc/54/29/50/372542950.db2.gz QWUDVIHJTXLRLA-CQSZACIVSA-N 0 0 299.773 3.064 20 10 CGCDRN COC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccco1 ZINC000294592450 372662194 /nfs/dbraw/zinc/66/21/94/372662194.db2.gz NENKKTVCNKXGCX-HNNXBMFYSA-N 0 0 288.391 3.131 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000170936964 372683944 /nfs/dbraw/zinc/68/39/44/372683944.db2.gz NEJTUBPYDDPXHL-HNNXBMFYSA-N 0 0 298.386 3.003 20 10 CGCDRN CCC[C@H]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000295024069 372686100 /nfs/dbraw/zinc/68/61/00/372686100.db2.gz HPXBDZAJGNIJMA-GXTWGEPZSA-N 0 0 261.365 3.225 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)C(C)C ZINC000172159418 372916957 /nfs/dbraw/zinc/91/69/57/372916957.db2.gz VEZOKKOYZZJUEE-CYBMUJFWSA-N 0 0 263.381 3.423 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nc1C ZINC000298025453 373289267 /nfs/dbraw/zinc/28/92/67/373289267.db2.gz DSOCLBUTRLFNKK-UHFFFAOYSA-N 0 0 297.402 3.037 20 10 CGCDRN O=[N+]([O-])c1cc(F)c(Sc2nccs2)c(F)c1 ZINC000301773114 373802336 /nfs/dbraw/zinc/80/23/36/373802336.db2.gz GKKHEHOSGYSEGW-UHFFFAOYSA-N 0 0 274.273 3.481 20 10 CGCDRN CC(C)CN(CC(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180776279 374044936 /nfs/dbraw/zinc/04/49/36/374044936.db2.gz MVHCGKPTRWSOOE-SOFGYWHQSA-N 0 0 291.391 3.252 20 10 CGCDRN C[C@H](CC1CCCCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182526991 374285735 /nfs/dbraw/zinc/28/57/35/374285735.db2.gz FVJPOODGDXYDBQ-GFCCVEGCSA-N 0 0 291.391 3.321 20 10 CGCDRN Cc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000183454570 374416378 /nfs/dbraw/zinc/41/63/78/374416378.db2.gz GGFTYYNMUNXOMM-LBPRGKRZSA-N 0 0 299.370 3.076 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C(F)F)s2)cc1C ZINC000184860244 374566161 /nfs/dbraw/zinc/56/61/61/374566161.db2.gz HICLORLRWHWTQO-UHFFFAOYSA-N 0 0 285.319 3.410 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187723241 375080920 /nfs/dbraw/zinc/08/09/20/375080920.db2.gz BKUHVYAMNZALLA-QMTHXVAHSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187789154 375094530 /nfs/dbraw/zinc/09/45/30/375094530.db2.gz GAGLZJKOEOOGHF-UWVGGRQHSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187800799 375098749 /nfs/dbraw/zinc/09/87/49/375098749.db2.gz LKPCADGTKKWBOJ-NXEZZACHSA-N 0 0 287.350 3.118 20 10 CGCDRN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000189106430 375325941 /nfs/dbraw/zinc/32/59/41/375325941.db2.gz NTKRITJHNXMHAG-YUMQZZPRSA-N 0 0 278.179 3.212 20 10 CGCDRN Cc1csc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])n1 ZINC000191194785 375593259 /nfs/dbraw/zinc/59/32/59/375593259.db2.gz KBJUZGBOPCOHHP-QMMMGPOBSA-N 0 0 284.331 3.286 20 10 CGCDRN Cc1nn(C)c(C)c1CN(C)c1ccc(OC(C)C)cc1 ZINC000191592992 375641878 /nfs/dbraw/zinc/64/18/78/375641878.db2.gz GYLSAHPQOYJPCJ-UHFFFAOYSA-N 0 0 287.407 3.461 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccccc2)c1 ZINC000255262841 377744156 /nfs/dbraw/zinc/74/41/56/377744156.db2.gz BVUXMYDXFPYKNB-HJWRWDBZSA-N 0 0 252.317 3.066 20 10 CGCDRN C[C@H](OC1CCCCCC1)C(=O)NCc1ccccc1O ZINC000268671999 378089775 /nfs/dbraw/zinc/08/97/75/378089775.db2.gz NOEJMIWZRSMAAE-ZDUSSCGKSA-N 0 0 291.391 3.136 20 10 CGCDRN CCCN(Cc1ccccc1O)c1ncnc2[nH]ccc21 ZINC000269398520 378216465 /nfs/dbraw/zinc/21/64/65/378216465.db2.gz WUTFJLKCHSIJGT-UHFFFAOYSA-N 0 0 282.347 3.080 20 10 CGCDRN C[C@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccsc1 ZINC000271824542 378508288 /nfs/dbraw/zinc/50/82/88/378508288.db2.gz NJHCKTKLGFHYPO-AWEZNQCLSA-N 0 0 297.807 3.104 20 10 CGCDRN CC(C)Cc1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000272255412 378597817 /nfs/dbraw/zinc/59/78/17/378597817.db2.gz PUYIJXBWKJXFHK-UHFFFAOYSA-N 0 0 292.358 3.085 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273438556 378744955 /nfs/dbraw/zinc/74/49/55/378744955.db2.gz XVXAVERVYPMJRW-MNOVXSKESA-N 0 0 287.319 3.107 20 10 CGCDRN Cc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273411955 378745913 /nfs/dbraw/zinc/74/59/13/378745913.db2.gz PXAFHCCVCBRFTA-LBPRGKRZSA-N 0 0 286.331 3.460 20 10 CGCDRN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273513165 378750180 /nfs/dbraw/zinc/75/01/80/378750180.db2.gz SDVFSUWPUFYREA-SNVBAGLBSA-N 0 0 276.336 3.141 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)c(O)c1O ZINC000272765302 378701033 /nfs/dbraw/zinc/70/10/33/378701033.db2.gz LZBAEUIYTJVPFW-GFCCVEGCSA-N 0 0 277.364 3.057 20 10 CGCDRN O[C@H](CCSc1nccs1)c1ccccc1 ZINC000285026361 380143265 /nfs/dbraw/zinc/14/32/65/380143265.db2.gz FBQZQEFDXUZFMY-LLVKDONJSA-N 0 0 251.376 3.359 20 10 CGCDRN Cc1coc(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000285209026 380145831 /nfs/dbraw/zinc/14/58/31/380145831.db2.gz JLSCMCBCPYJECR-UHFFFAOYSA-N 0 0 299.370 3.411 20 10 CGCDRN CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(F)cc1[O-] ZINC000286128852 380163740 /nfs/dbraw/zinc/16/37/40/380163740.db2.gz OLFFMTAYTWITLU-HNNXBMFYSA-N 0 0 291.370 3.123 20 10 CGCDRN CC[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(F)cc1[O-] ZINC000286181047 380170370 /nfs/dbraw/zinc/17/03/70/380170370.db2.gz QUTUHBWREMCJDI-CQSZACIVSA-N 0 0 283.387 3.371 20 10 CGCDRN CC[C@H]([NH2+]CCCSC)c1ccc(F)cc1[O-] ZINC000286202762 380173627 /nfs/dbraw/zinc/17/36/27/380173627.db2.gz RSZRKYQOEXGOPK-LBPRGKRZSA-N 0 0 257.374 3.325 20 10 CGCDRN CCc1noc(COc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000643272764 380249401 /nfs/dbraw/zinc/24/94/01/380249401.db2.gz JKCCQWIWKWAIGJ-UHFFFAOYSA-N 0 0 285.347 3.320 20 10 CGCDRN O=C(NCCCc1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000732281574 572457774 /nfs/dbraw/zinc/45/77/74/572457774.db2.gz QKBYIELTSXEGCF-UHFFFAOYSA-N 0 0 295.791 3.470 20 10 CGCDRN COc1cc(Cl)cc(CN(CC(F)F)C2CC2)c1O ZINC000184691209 262025676 /nfs/dbraw/zinc/02/56/76/262025676.db2.gz NDWZSZOJMRGQGS-UHFFFAOYSA-N 0 0 291.725 3.284 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000363614908 382238921 /nfs/dbraw/zinc/23/89/21/382238921.db2.gz XGQVHBPHWMTYOE-HZPDHXFCSA-N 0 0 298.386 3.108 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000363842483 382259392 /nfs/dbraw/zinc/25/93/92/382259392.db2.gz CNTGUVZAABILSA-AWEZNQCLSA-N 0 0 295.810 3.294 20 10 CGCDRN CCc1ncnc(NCc2ccc(N3CC=CC3)cc2)c1F ZINC000271013913 542365028 /nfs/dbraw/zinc/36/50/28/542365028.db2.gz AKTNCAWRKXHXJC-UHFFFAOYSA-N 0 0 298.365 3.166 20 10 CGCDRN O=C(NCc1ccccc1O)C(C1CCC1)C1CCC1 ZINC000286640060 392386212 /nfs/dbraw/zinc/38/62/12/392386212.db2.gz BIIGIVXSTKZYLE-UHFFFAOYSA-N 0 0 273.376 3.225 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C(C)C)o2)cc1Cl ZINC000121940371 392417657 /nfs/dbraw/zinc/41/76/57/392417657.db2.gz AFLQETDPCKTAOL-UHFFFAOYSA-N 0 0 295.770 3.491 20 10 CGCDRN Cc1cccc(CNc2cccc(-c3ncn(C)n3)c2)c1O ZINC000153609578 392522263 /nfs/dbraw/zinc/52/22/63/392522263.db2.gz LOLDXOUJBQDKGC-UHFFFAOYSA-N 0 0 294.358 3.108 20 10 CGCDRN Cc1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173188168 392624319 /nfs/dbraw/zinc/62/43/19/392624319.db2.gz ZIUCWTGLFZOESS-UHFFFAOYSA-N 0 0 296.370 3.100 20 10 CGCDRN Oc1ccccc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000179568708 392703686 /nfs/dbraw/zinc/70/36/86/392703686.db2.gz LCRQRRHJVKZULJ-KRWDZBQOSA-N 0 0 287.334 3.105 20 10 CGCDRN CCc1ccccc1NC(=S)NCc1ccccn1 ZINC000007350967 170278940 /nfs/dbraw/zinc/27/89/40/170278940.db2.gz CUMZOTZGUIVOEV-UHFFFAOYSA-N 0 0 271.389 3.131 20 10 CGCDRN Cc1nc2cc(NCc3ccccc3O)ccc2o1 ZINC000020143985 171029695 /nfs/dbraw/zinc/02/96/95/171029695.db2.gz RSHLVWNMPHVZDX-UHFFFAOYSA-N 0 0 254.289 3.454 20 10 CGCDRN Nc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000020425820 171192062 /nfs/dbraw/zinc/19/20/62/171192062.db2.gz SMNRBWALAWZVLV-UHFFFAOYSA-N 0 0 278.714 3.243 20 10 CGCDRN COc1cccc(CN(CC(C)C)CC(F)(F)F)c1O ZINC000092030632 260267452 /nfs/dbraw/zinc/26/74/52/260267452.db2.gz OFWSDBVGQZMFRE-UHFFFAOYSA-N 0 0 291.313 3.421 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1CCCCCC1 ZINC000101948892 261253219 /nfs/dbraw/zinc/25/32/19/261253219.db2.gz JLTLXAXSVBMIFQ-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CSC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162686484 261291467 /nfs/dbraw/zinc/29/14/67/261291467.db2.gz BMKZCJIXBWFXCQ-UHFFFAOYSA-N 0 0 259.802 3.277 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000186080934 262078169 /nfs/dbraw/zinc/07/81/69/262078169.db2.gz HREZPEWTGPFATA-NSHDSACASA-N 0 0 299.411 3.094 20 10 CGCDRN C[C@H]([NH2+]CCOCc1ccccc1)c1ccc(F)cc1[O-] ZINC000185633080 262306658 /nfs/dbraw/zinc/30/66/58/262306658.db2.gz DGONKZHQYXRDKI-ZDUSSCGKSA-N 0 0 289.350 3.399 20 10 CGCDRN CC(C)Cn1cc(N[C@@H](C)c2ccccc2O)cn1 ZINC000272838718 263009127 /nfs/dbraw/zinc/00/91/27/263009127.db2.gz JDKVPEMNNXXBOR-LBPRGKRZSA-N 0 0 259.353 3.418 20 10 CGCDRN O=C1NC(=S)S/C1=C/c1ccc2c(c1)CCCC2 ZINC000292767868 263134918 /nfs/dbraw/zinc/13/49/18/263134918.db2.gz RYYFRJQIDSHGDL-XYOKQWHBSA-N 0 0 275.398 3.054 20 10 CGCDRN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(C)(F)F ZINC000293605587 263144343 /nfs/dbraw/zinc/14/43/43/263144343.db2.gz DZWVLTNDQYINKF-JTQLQIEISA-N 0 0 297.345 3.179 20 10 CGCDRN CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293581219 264959357 /nfs/dbraw/zinc/95/93/57/264959357.db2.gz JTIAPQDJSLUHJU-CYBMUJFWSA-N 0 0 289.778 3.071 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c(O)c1O ZINC000376868098 268026529 /nfs/dbraw/zinc/02/65/29/268026529.db2.gz DHFWYXUSQPKYPW-APPDUMDISA-N 0 0 289.375 3.059 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c(O)c1O ZINC000376868100 268026593 /nfs/dbraw/zinc/02/65/93/268026593.db2.gz DHFWYXUSQPKYPW-GTNSWQLSSA-N 0 0 289.375 3.059 20 10 CGCDRN CC(C)SCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000287003091 279750022 /nfs/dbraw/zinc/75/00/22/279750022.db2.gz KGBFSVXQKJEPQX-VIFPVBQESA-N 0 0 275.364 3.463 20 10 CGCDRN CC[C@H]([NH2+]CCCOC)c1cccc(Cl)c1[O-] ZINC000286807816 288040853 /nfs/dbraw/zinc/04/08/53/288040853.db2.gz BCWVIYMKAWUZMS-LBPRGKRZSA-N 0 0 257.761 3.123 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(F)cc1[O-] ZINC000185302894 327838043 /nfs/dbraw/zinc/83/80/43/327838043.db2.gz FOKJFNAEPOZIRP-LLVKDONJSA-N 0 0 275.323 3.130 20 10 CGCDRN CCOc1cccc(CNc2ccc(N(C)C)cc2)c1O ZINC000057611231 327930344 /nfs/dbraw/zinc/93/03/44/327930344.db2.gz NNBYYZOGKYNWAY-UHFFFAOYSA-N 0 0 286.375 3.469 20 10 CGCDRN CCOc1cccc(CNc2cccnc2C)c1O ZINC000091495839 327102892 /nfs/dbraw/zinc/10/28/92/327102892.db2.gz NZELKVXGNRCLIA-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCCOC1 ZINC000527741266 330282722 /nfs/dbraw/zinc/28/27/22/330282722.db2.gz ZUKDLHNOGNYILK-SNVBAGLBSA-N 0 0 287.762 3.091 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccn1)c1cc(C)ccc1C ZINC000491212879 332167324 /nfs/dbraw/zinc/16/73/24/332167324.db2.gz RGCPGKWZWKNELX-BQYQJAHWSA-N 0 0 281.359 3.160 20 10 CGCDRN CCc1cccc2c1N(C(=O)/C=C/c1cnccn1)CCC2 ZINC000491884758 332373516 /nfs/dbraw/zinc/37/35/16/332373516.db2.gz NMOOTQQDNVRAQT-CMDGGOBGSA-N 0 0 293.370 3.032 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)/C=C\c1ccc[nH]1 ZINC000491961854 332377398 /nfs/dbraw/zinc/37/73/98/332377398.db2.gz JWLIXONQUOPMMN-KTKRTIGZSA-N 0 0 293.370 3.144 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2ccccc21 ZINC000185942695 333152203 /nfs/dbraw/zinc/15/22/03/333152203.db2.gz KMMRKIZOGZJKJV-VOTSOKGWSA-N 0 0 270.357 3.054 20 10 CGCDRN C[C@@H]1CCN(C(=O)/C=C/c2cccnc2)c2c(O)cccc21 ZINC000186325979 333158728 /nfs/dbraw/zinc/15/87/28/333158728.db2.gz AQBDLKSJEYOYCV-SBDDDAINSA-N 0 0 294.354 3.341 20 10 CGCDRN Cc1ccccc1C[C@@H](C)C(=O)NCc1ccccc1O ZINC000528855277 333461858 /nfs/dbraw/zinc/46/18/58/333461858.db2.gz QKBHPJIPIHSRNA-CQSZACIVSA-N 0 0 283.371 3.196 20 10 CGCDRN Cc1c2cc(OC[C@@H]3CCOC3)ccc2n(C)c1C ZINC000421196582 500950543 /nfs/dbraw/zinc/95/05/43/500950543.db2.gz JGILLCUSSRBIPE-CYBMUJFWSA-N 0 0 259.349 3.210 20 10 CGCDRN CC(C)=CCC[C@@H](C)NC(=O)NCc1ccccc1O ZINC000298466639 519421262 /nfs/dbraw/zinc/42/12/62/519421262.db2.gz OPVPLGNHYPUEEA-CYBMUJFWSA-N 0 0 276.380 3.326 20 10 CGCDRN CC(C)CC1(CNC(=O)Cc2ccc(N)cc2)CCC1 ZINC000236668907 519626782 /nfs/dbraw/zinc/62/67/82/519626782.db2.gz ZWWXBFMLAHERGG-UHFFFAOYSA-N 0 0 274.408 3.144 20 10 CGCDRN CCN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000101531159 520223634 /nfs/dbraw/zinc/22/36/34/520223634.db2.gz PZBUPUINZSEDAW-UHFFFAOYSA-N 0 0 262.378 3.248 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccnc1 ZINC000282366993 520547091 /nfs/dbraw/zinc/54/70/91/520547091.db2.gz BUOLAYWPVZLOPW-UHFFFAOYSA-N 0 0 284.359 3.230 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCO1 ZINC000299583197 521688147 /nfs/dbraw/zinc/68/81/47/521688147.db2.gz CVTGQUPAMBGYCJ-OAHLLOKOSA-N 0 0 291.391 3.090 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CSC ZINC000077626743 521688520 /nfs/dbraw/zinc/68/85/20/521688520.db2.gz NAEMWAWVWNTVGU-LBPRGKRZSA-N 0 0 296.436 3.065 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cncc(CC)c1 ZINC000279389833 521690134 /nfs/dbraw/zinc/69/01/34/521690134.db2.gz HCFAWUCXIJGLNO-UHFFFAOYSA-N 0 0 298.386 3.402 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2C=CCC2)cc1 ZINC000078963401 522166642 /nfs/dbraw/zinc/16/66/42/522166642.db2.gz ZYVLIOPAUSKZRL-AWEZNQCLSA-N 0 0 272.392 3.067 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000291857816 522204529 /nfs/dbraw/zinc/20/45/29/522204529.db2.gz HIDBWVXGOGUZIU-QMMMGPOBSA-N 0 0 296.317 3.380 20 10 CGCDRN CN(C)c1ccc(CNc2ccon2)c(C(F)(F)F)c1 ZINC000279964073 522214383 /nfs/dbraw/zinc/21/43/83/522214383.db2.gz CMLIHPUNDBXFRH-UHFFFAOYSA-N 0 0 285.269 3.372 20 10 CGCDRN CC[C@@H](C)c1nnc([C@@H](C)NCc2cc(F)ccc2O)[nH]1 ZINC000277340638 522437644 /nfs/dbraw/zinc/43/76/44/522437644.db2.gz UZLPDRDOJDNKEH-NXEZZACHSA-N 0 0 292.358 3.014 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cnccn1 ZINC000266431568 523261902 /nfs/dbraw/zinc/26/19/02/523261902.db2.gz ISGDWBFIPSPURI-UHFFFAOYSA-N 0 0 282.391 3.103 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC1=CCCCC1 ZINC000297816888 523381152 /nfs/dbraw/zinc/38/11/52/523381152.db2.gz ZBPGYCAJLVDMRC-UHFFFAOYSA-N 0 0 274.364 3.034 20 10 CGCDRN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289823584 523890872 /nfs/dbraw/zinc/89/08/72/523890872.db2.gz NTKRITJHNXMHAG-HTQZYQBOSA-N 0 0 278.179 3.212 20 10 CGCDRN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000286988455 524571082 /nfs/dbraw/zinc/57/10/82/524571082.db2.gz JJYCBIIOYNGJKE-IUCAKERBSA-N 0 0 291.222 3.300 20 10 CGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])on1 ZINC000044985785 524757415 /nfs/dbraw/zinc/75/74/15/524757415.db2.gz QBWHXMXBKPGSJD-UHFFFAOYSA-N 0 0 287.146 3.285 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278336707 525391447 /nfs/dbraw/zinc/39/14/47/525391447.db2.gz XADDQEQNGAXICI-IUCAKERBSA-N 0 0 290.190 3.386 20 10 CGCDRN Cc1ccccc1[C@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000237639028 525403624 /nfs/dbraw/zinc/40/36/24/525403624.db2.gz QCDQSLRHBPICIT-OAHLLOKOSA-N 0 0 296.414 3.430 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1cccs1 ZINC000130527288 525941693 /nfs/dbraw/zinc/94/16/93/525941693.db2.gz HHXIWZHDPGIVRJ-NSHDSACASA-N 0 0 275.373 3.216 20 10 CGCDRN Cc1nc(CNCc2ccc3c(c2)CCCN3C)cs1 ZINC000050266785 526888665 /nfs/dbraw/zinc/88/86/65/526888665.db2.gz FYIHLKLYOWMFLB-UHFFFAOYSA-N 0 0 287.432 3.124 20 10 CGCDRN O=C1/C(=C\c2ccoc2)SC(=S)N1c1cccnc1 ZINC000727433096 571745334 /nfs/dbraw/zinc/74/53/34/571745334.db2.gz XEHOGKBTFSGDAS-IZZDOVSWSA-N 0 0 288.353 3.080 20 10 CGCDRN Oc1ccccc1CNc1ccnc(-c2ccccc2)n1 ZINC000729182546 571881515 /nfs/dbraw/zinc/88/15/15/571881515.db2.gz VLIDEGLTMYQBBM-UHFFFAOYSA-N 0 0 277.327 3.461 20 10 CGCDRN CCN1C(=O)/C(=C\c2cccc(F)c2F)SC1=S ZINC000730732764 572372076 /nfs/dbraw/zinc/37/20/76/572372076.db2.gz PWOUTTJHLARJKB-RMKNXTFCSA-N 0 0 285.340 3.186 20 10 CGCDRN Cc1cccc([C@H](C)CNC(=O)NCc2ccccc2O)c1 ZINC000741276163 572375347 /nfs/dbraw/zinc/37/53/47/572375347.db2.gz JYRLPXSRWGKFRK-CQSZACIVSA-N 0 0 298.386 3.304 20 10 CGCDRN CCOc1ccc(N(C)Cc2nc(C(C)C)no2)cc1 ZINC000739922222 572426981 /nfs/dbraw/zinc/42/69/81/572426981.db2.gz CKSJFBDUXYIWBQ-UHFFFAOYSA-N 0 0 275.352 3.228 20 10 CGCDRN O=C(Nc1cccc(N2CCCC2)c1)C1=CC(=O)CS1 ZINC000731870702 572430507 /nfs/dbraw/zinc/43/05/07/572430507.db2.gz NBLZDDQTWHCKAE-UHFFFAOYSA-N 0 0 288.372 3.306 20 10 CGCDRN O=C(NCCCSc1ccccc1)C1=CC(=O)CS1 ZINC000731868039 572433132 /nfs/dbraw/zinc/43/31/32/572433132.db2.gz JLCHJGNXGXOWQG-UHFFFAOYSA-N 0 0 293.413 3.366 20 10 CGCDRN CC(C)c1cc(NCc2ccc(N(C)C)c(F)c2)ncn1 ZINC000732004551 572445723 /nfs/dbraw/zinc/44/57/23/572445723.db2.gz ZKAAJOCPRXSGBD-UHFFFAOYSA-N 0 0 288.370 3.417 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)c(F)c1 ZINC000732265219 572454864 /nfs/dbraw/zinc/45/48/64/572454864.db2.gz PPJTVFRTZNZPCQ-SSDOTTSWSA-N 0 0 283.299 3.223 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2CC=CC2)cc1 ZINC000740776684 572457479 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ADUGBXMOFMOTPU-UHFFFAOYSA-N 0 0 295.342 3.103 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000894532941 619565294 /nfs/dbraw/zinc/56/52/94/619565294.db2.gz LANYUVZXKZUOQU-HNNXBMFYSA-N 0 0 297.345 3.061 20 10 CGCDRN Cc1ccncc1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894621804 619590583 /nfs/dbraw/zinc/59/05/83/619590583.db2.gz KELVSVYMOLSPRB-UHFFFAOYSA-N 0 0 278.302 3.006 20 10 CGCDRN O=C(Nc1ccc(NCc2ccccc2O)cc1)C1CC1 ZINC000020130473 619766574 /nfs/dbraw/zinc/76/65/74/619766574.db2.gz NULNJNVLUJBVJN-UHFFFAOYSA-N 0 0 282.343 3.353 20 10 CGCDRN CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(N)cc1 ZINC000020374158 619808294 /nfs/dbraw/zinc/80/82/94/619808294.db2.gz NSGBCQBPHNTMCX-UHFFFAOYSA-N 0 0 284.403 3.448 20 10 CGCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C(C)(C)CN1CCCC1 ZINC000841892914 619874019 /nfs/dbraw/zinc/87/40/19/619874019.db2.gz ADQZUTNNZNBULC-UHFFFAOYSA-N 0 0 296.842 3.352 20 10 CGCDRN Oc1ccc(F)cc1CN1CCS[C@@H](C(F)(F)F)C1 ZINC000896455885 620011923 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620431173 /nfs/dbraw/zinc/43/11/73/620431173.db2.gz AHHUIALALLEAMO-LLVKDONJSA-N 0 0 287.375 3.434 20 10 CGCDRN CC(C)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897864211 620440911 /nfs/dbraw/zinc/44/09/11/620440911.db2.gz MLUMAAVAWZCRIE-UHFFFAOYSA-N 0 0 291.372 3.231 20 10 CGCDRN CC[C@@H]1C[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897898138 620445679 /nfs/dbraw/zinc/44/56/79/620445679.db2.gz ACAYQOYZFGJLOO-SCZZXKLOSA-N 0 0 291.372 3.088 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cncs1 ZINC000897932167 620448699 /nfs/dbraw/zinc/44/86/99/620448699.db2.gz ITRJSRBQEJYWIE-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN CCON(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000898090682 620474681 /nfs/dbraw/zinc/47/46/81/620474681.db2.gz RKKCZRDWMMXSPG-UHFFFAOYSA-N 0 0 295.360 3.115 20 10 CGCDRN Cc1ncc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])c(C)n1 ZINC000898216524 620488717 /nfs/dbraw/zinc/48/87/17/620488717.db2.gz YAOPUZVQXZRNRQ-VIFPVBQESA-N 0 0 291.782 3.303 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000898218480 620489284 /nfs/dbraw/zinc/48/92/84/620489284.db2.gz IBQAEVQWBOKBRH-UHFFFAOYSA-N 0 0 289.766 3.003 20 10 CGCDRN COc1ccccc1SCC(=O)c1ccc(O)c(O)c1 ZINC000041031007 620550861 /nfs/dbraw/zinc/55/08/61/620550861.db2.gz WCIRCMRSLSKPEX-UHFFFAOYSA-N 0 0 290.340 3.081 20 10 CGCDRN C/C(=C(/F)C(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000901054151 620830360 /nfs/dbraw/zinc/83/03/60/620830360.db2.gz BTHVKCUACZKAPH-UVTDQMKNSA-N 0 0 263.312 3.004 20 10 CGCDRN Oc1c(F)cc(F)cc1CNc1noc2c1CCCC2 ZINC000902278420 621240776 /nfs/dbraw/zinc/24/07/76/621240776.db2.gz VPYGGUOIHUXOIY-UHFFFAOYSA-N 0 0 280.274 3.149 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1c([O-])cccc1F ZINC000903255301 621643814 /nfs/dbraw/zinc/64/38/14/621643814.db2.gz XMQKQVNHETTXLG-NVBFEUDRSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1c([O-])cccc1F ZINC000903265128 621650728 /nfs/dbraw/zinc/65/07/28/621650728.db2.gz QFEIMRDPPRWSKQ-OBJOEFQTSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(F)cc1[O-] ZINC000903280143 621660538 /nfs/dbraw/zinc/66/05/38/621660538.db2.gz BCRBCDICRWNSBZ-UUKUIKCLSA-N 0 0 279.355 3.140 20 10 CGCDRN COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000903330131 621705008 /nfs/dbraw/zinc/70/50/08/621705008.db2.gz HRMVESRCHRCLEN-IUCAKERBSA-N 0 0 273.323 3.135 20 10 CGCDRN C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903393852 621719179 /nfs/dbraw/zinc/71/91/79/621719179.db2.gz URSWOILFMMDUHA-UBJUHAIHSA-N 0 0 290.190 3.385 20 10 CGCDRN CN(C)c1ccc(CNc2ccc(Cl)nc2)cc1 ZINC000149386884 622298118 /nfs/dbraw/zinc/29/81/18/622298118.db2.gz ITKNTTWXLMLVPD-UHFFFAOYSA-N 0 0 261.756 3.413 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000840764478 625560450 /nfs/dbraw/zinc/56/04/50/625560450.db2.gz QIRNFYQPJUWPEP-ZMLRMANQSA-N 0 0 285.334 3.277 20 10 CGCDRN CC1=CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769447055 625570576 /nfs/dbraw/zinc/57/05/76/625570576.db2.gz 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CC[C@H]1COCCN1Cc1ccc(N(CC)CC)c(F)c1 ZINC000768882143 627506018 /nfs/dbraw/zinc/50/60/18/627506018.db2.gz QQJUKXGFIJVGTR-HNNXBMFYSA-N 0 0 294.414 3.283 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H](F)c2ccccc2)cc1 ZINC000768964788 627512055 /nfs/dbraw/zinc/51/20/55/627512055.db2.gz GBHMYHSQAQKZLW-INIZCTEOSA-N 0 0 286.350 3.080 20 10 CGCDRN C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000768988160 627513699 /nfs/dbraw/zinc/51/36/99/627513699.db2.gz OUZSPUGYZWKGNE-JSGCOSHPSA-N 0 0 292.398 3.334 20 10 CGCDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000768988159 627513817 /nfs/dbraw/zinc/51/38/17/627513817.db2.gz OUZSPUGYZWKGNE-GXTWGEPZSA-N 0 0 292.398 3.334 20 10 CGCDRN O=C(/C=C/Sc1ccccc1)NCc1ccccc1O ZINC000769362893 627545372 /nfs/dbraw/zinc/54/53/72/627545372.db2.gz MAGWSNLKGLCMOG-ZHACJKMWSA-N 0 0 285.368 3.314 20 10 CGCDRN CN(C)c1ccc(CNc2cnn(C)c2C2CC2)cc1F ZINC000769922578 627589597 /nfs/dbraw/zinc/58/95/97/627589597.db2.gz BOLYICPLHHANKS-UHFFFAOYSA-N 0 0 288.370 3.115 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772998633 627839338 /nfs/dbraw/zinc/83/93/38/627839338.db2.gz JYBXBUINAKCGAL-FZKQIMNGSA-N 0 0 294.398 3.270 20 10 CGCDRN CC/C=C(/C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773012328 627842193 /nfs/dbraw/zinc/84/21/93/627842193.db2.gz UVGXIYNRMBVBNJ-FFXRNRBCSA-N 0 0 260.381 3.286 20 10 CGCDRN CC(C)SCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773013072 627842524 /nfs/dbraw/zinc/84/25/24/627842524.db2.gz ZRXXILPJGMDBPB-LBPRGKRZSA-N 0 0 280.437 3.071 20 10 CGCDRN C[C@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000773014993 627842621 /nfs/dbraw/zinc/84/26/21/627842621.db2.gz MOTNKAUZMDYXTN-CHWSQXEVSA-N 0 0 274.408 3.366 20 10 CGCDRN Cc1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773015595 627842627 /nfs/dbraw/zinc/84/26/27/627842627.db2.gz QFVZSEHKAIATFT-CYBMUJFWSA-N 0 0 286.375 3.074 20 10 CGCDRN C[C@H](NC(=O)/C=C\c1ccco1)c1ccc(N(C)C)cc1 ZINC000773015990 627842679 /nfs/dbraw/zinc/84/26/79/627842679.db2.gz RTTGMUYELHXNNN-OEYXZAGESA-N 0 0 284.359 3.236 20 10 CGCDRN CCCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018156 627843086 /nfs/dbraw/zinc/84/30/86/627843086.db2.gz XOUUVHBDQIDJEN-UONOGXRCSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@@H](NC(=O)CCc1ccco1)c1ccc(N(C)C)cc1 ZINC000773023415 627843921 /nfs/dbraw/zinc/84/39/21/627843921.db2.gz XZLIWZXNFRMXAN-CYBMUJFWSA-N 0 0 286.375 3.156 20 10 CGCDRN C[C@H](NC(=O)NCC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773239113 627868953 /nfs/dbraw/zinc/86/89/53/627868953.db2.gz YZZJZWQHFOQCDL-ZDUSSCGKSA-N 0 0 289.423 3.303 20 10 CGCDRN C[C@H](NC(=O)N1C[C@@H](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773617047 627900427 /nfs/dbraw/zinc/90/04/27/627900427.db2.gz MPKLHWUYAWIXOI-MCIONIFRSA-N 0 0 289.423 3.111 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CC(C)(C)C ZINC000773757521 627912024 /nfs/dbraw/zinc/91/20/24/627912024.db2.gz UKHXLUBFUXVWGU-NWDGAFQWSA-N 0 0 293.407 3.217 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269218 627970711 /nfs/dbraw/zinc/97/07/11/627970711.db2.gz JVTBDXSYKCJWBZ-SFYZADRCSA-N 0 0 276.163 3.139 20 10 CGCDRN COc1cccc(CNc2nc(C)c(C)s2)c1O ZINC000774523361 628000813 /nfs/dbraw/zinc/00/08/13/628000813.db2.gz BRIDUUZIWFHZRU-UHFFFAOYSA-N 0 0 264.350 3.086 20 10 CGCDRN Cc1ccccc1C[C@@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000774930494 628049629 /nfs/dbraw/zinc/04/96/29/628049629.db2.gz STSVWUUJKMXHLG-GFCCVEGCSA-N 0 0 289.400 3.465 20 10 CGCDRN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1nccn1C ZINC000775379395 628087053 /nfs/dbraw/zinc/08/70/53/628087053.db2.gz CVXMKCSHGUUIDV-OAHLLOKOSA-N 0 0 298.434 3.261 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000775725701 628129089 /nfs/dbraw/zinc/12/90/89/628129089.db2.gz LXJLAOJWOYPYRT-WDEREUQCSA-N 0 0 299.773 3.043 20 10 CGCDRN Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775732079 628130244 /nfs/dbraw/zinc/13/02/44/628130244.db2.gz SFWQLCYLUJQGFT-ZDUSSCGKSA-N 0 0 298.390 3.339 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000775982367 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ZINC000779309100 628407242 /nfs/dbraw/zinc/40/72/42/628407242.db2.gz BXDOPJDAGPPQPP-UHFFFAOYSA-N 0 0 270.376 3.398 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1C ZINC000779499483 628415563 /nfs/dbraw/zinc/41/55/63/628415563.db2.gz HVWDQMJRWBCSKN-LUAWRHEFSA-N 0 0 297.354 3.473 20 10 CGCDRN CC/C(C)=C(\C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000779881418 628439847 /nfs/dbraw/zinc/43/98/47/628439847.db2.gz JGHNSTYTBAYMAK-VAWYXSNFSA-N 0 0 278.371 3.254 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ncc(C)cc1C ZINC000780457540 628491252 /nfs/dbraw/zinc/49/12/52/628491252.db2.gz CDWTZFHHNWRFFX-UHFFFAOYSA-N 0 0 298.386 3.456 20 10 CGCDRN COc1cc(O)c(CN2CCc3cc(C)ccc32)cc1OC ZINC000780769583 628516052 /nfs/dbraw/zinc/51/60/52/628516052.db2.gz WFFATDRACGKXNL-UHFFFAOYSA-N 0 0 299.370 3.281 20 10 CGCDRN CCOc1ccc(N(C)C[C@H]2CCO[C@H](C)C2)cc1 ZINC000780774213 628516107 /nfs/dbraw/zinc/51/61/07/628516107.db2.gz IHGQLFYTMCQKAE-KGLIPLIRSA-N 0 0 263.381 3.337 20 10 CGCDRN COc1ccc(O)c(CN2CCCc3ccc(F)cc32)c1 ZINC000780770173 628516174 /nfs/dbraw/zinc/51/61/74/628516174.db2.gz JBKPDALUVZWYGL-UHFFFAOYSA-N 0 0 287.334 3.493 20 10 CGCDRN CCOc1ccc(O)c(CN2CCN(C)c3ccccc32)c1 ZINC000780770368 628516415 /nfs/dbraw/zinc/51/64/15/628516415.db2.gz YATKJCWCPJMARP-UHFFFAOYSA-N 0 0 298.386 3.247 20 10 CGCDRN CN(Cc1ccc(Cl)o1)c1ccc2c(c1)OCO2 ZINC000780778967 628516571 /nfs/dbraw/zinc/51/65/71/628516571.db2.gz ZCKACDVCHMUAMO-UHFFFAOYSA-N 0 0 265.696 3.298 20 10 CGCDRN O=[N+]([O-])c1cccc2ncnc(Sc3nccs3)c21 ZINC000780911333 628523880 /nfs/dbraw/zinc/52/38/80/628523880.db2.gz MDUVZIRZDPSIJY-UHFFFAOYSA-N 0 0 290.329 3.146 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781531479 628569024 /nfs/dbraw/zinc/56/90/24/628569024.db2.gz DNJQGZLWNKTGLT-SNVBAGLBSA-N 0 0 291.725 3.249 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccnc(N(C)C)c2)cc1 ZINC000782175865 628619556 /nfs/dbraw/zinc/61/95/56/628619556.db2.gz NATOIFQXSVWUIB-UHFFFAOYSA-N 0 0 285.391 3.183 20 10 CGCDRN C[C@H]1C[C@H](COc2ccc(N3CCCC3)cc2)CCO1 ZINC000783040563 628674361 /nfs/dbraw/zinc/67/43/61/628674361.db2.gz UANBXJTWHIUKGS-LSDHHAIUSA-N 0 0 275.392 3.481 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCC=CO1)c1cc(F)cc(F)c1[O-] ZINC000783311549 628703198 /nfs/dbraw/zinc/70/31/98/628703198.db2.gz WBSYZUBDYSVSMQ-GXSJLCMTSA-N 0 0 269.291 3.014 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1C ZINC000783539365 628723419 /nfs/dbraw/zinc/72/34/19/628723419.db2.gz BPUSRZIZVQMGQL-MELADBBJSA-N 0 0 263.381 3.007 20 10 CGCDRN Cc1cccc(CNc2cccc3c2OCO3)c1O ZINC000783598802 628730624 /nfs/dbraw/zinc/73/06/24/628730624.db2.gz YFMQBYLKICRHNR-UHFFFAOYSA-N 0 0 257.289 3.041 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1Cc2ccccc21)c1ccccc1O ZINC000875136598 634678766 /nfs/dbraw/zinc/67/87/66/634678766.db2.gz LFQYDTAIAFGYMI-JSGCOSHPSA-N 0 0 296.370 3.092 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1CCc2ccc(F)cc21 ZINC000783940849 628758809 /nfs/dbraw/zinc/75/88/09/628758809.db2.gz GWOPXIDKJKLUST-HWKANZROSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1CCc2ccc(F)cc21 ZINC000783940854 628758884 /nfs/dbraw/zinc/75/88/84/628758884.db2.gz GWOPXIDKJKLUST-HYXAFXHYSA-N 0 0 282.318 3.132 20 10 CGCDRN CC1(C)CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000785995180 628905516 /nfs/dbraw/zinc/90/55/16/628905516.db2.gz RGECXGHYQGRTHD-SECBINFHSA-N 0 0 253.367 3.152 20 10 CGCDRN CN(C)c1ccc(OCCOc2cccc(F)c2)cc1 ZINC000786866215 628967232 /nfs/dbraw/zinc/96/72/32/628967232.db2.gz TWJMJMKPNHLOAH-UHFFFAOYSA-N 0 0 275.323 3.350 20 10 CGCDRN CSC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000788524912 629062379 /nfs/dbraw/zinc/06/23/79/629062379.db2.gz YVYYLZADSCWKJE-UHFFFAOYSA-N 0 0 275.776 3.170 20 10 CGCDRN CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788593479 629067580 /nfs/dbraw/zinc/06/75/80/629067580.db2.gz PXYATITUTQIQEA-UWVGGRQHSA-N 0 0 291.313 3.223 20 10 CGCDRN CCCC[C@@H](CC)CNC(=O)c1c(F)ccc(O)c1O ZINC000789955153 629176200 /nfs/dbraw/zinc/17/62/00/629176200.db2.gz QTRHBFFCJBFRAO-SNVBAGLBSA-N 0 0 283.343 3.183 20 10 CGCDRN CN1C(=O)/C(=C\c2ccsc2Cl)SC1=S ZINC000790106485 629184326 /nfs/dbraw/zinc/18/43/26/629184326.db2.gz KOSZOXOXILIJSC-GQCTYLIASA-N 0 0 275.807 3.233 20 10 CGCDRN O=C(Nc1cccc(-n2cccc2)c1)c1cccc(O)c1O ZINC000790527015 629216010 /nfs/dbraw/zinc/21/60/10/629216010.db2.gz YKPUPHLMCRDEDG-UHFFFAOYSA-N 0 0 294.310 3.141 20 10 CGCDRN O=C(Nc1nc2ccsc2s1)c1cccc(O)c1O ZINC000790745910 629227814 /nfs/dbraw/zinc/22/78/14/629227814.db2.gz MUXQXOMFQLXAIB-UHFFFAOYSA-N 0 0 292.341 3.021 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000790926630 629241272 /nfs/dbraw/zinc/24/12/72/629241272.db2.gz ONAWVEHGBZPUSL-QMMMGPOBSA-N 0 0 275.776 3.027 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875713332 634725572 /nfs/dbraw/zinc/72/55/72/634725572.db2.gz FFBSAKDSPNJQJO-LLVKDONJSA-N 0 0 276.380 3.242 20 10 CGCDRN C[C@@H]1C[C@H](C)N1Cc1cc(F)c(N(C)C)cc1F ZINC000862350907 629346563 /nfs/dbraw/zinc/34/65/63/629346563.db2.gz IUXUXMVUNWWEKJ-AOOOYVTPSA-N 0 0 254.324 3.014 20 10 CGCDRN CC[C@@H](C)n1ncc(NCc2cc(OC)ccc2O)c1C ZINC000792192521 629346760 /nfs/dbraw/zinc/34/67/60/629346760.db2.gz LMFQQWQYLMBJOI-LLVKDONJSA-N 0 0 289.379 3.489 20 10 CGCDRN CCN(Cc1cc(C)ccn1)c1ccc(OC)c(OC)c1 ZINC000792244382 629351753 /nfs/dbraw/zinc/35/17/53/629351753.db2.gz YBACBDVWXXTTJD-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN C[C@@H]1CSCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000792718565 629377384 /nfs/dbraw/zinc/37/73/84/629377384.db2.gz AVHDSOZONSQOKX-LBPRGKRZSA-N 0 0 288.416 3.125 20 10 CGCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2cc(C)ccc2O)c1 ZINC000862753432 629428722 /nfs/dbraw/zinc/42/87/22/629428722.db2.gz DBYDCUPJWSLDDM-DLBZAZTESA-N 0 0 295.382 3.429 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000862754086 629428817 /nfs/dbraw/zinc/42/88/17/629428817.db2.gz QSRBLTATLPIRCU-UONOGXRCSA-N 0 0 287.384 3.182 20 10 CGCDRN CC[C@H](CC(F)(F)F)C(=O)NCc1cc(C)ccc1O ZINC000862755789 629429905 /nfs/dbraw/zinc/42/99/05/629429905.db2.gz YINHLPBQFKXWOF-SNVBAGLBSA-N 0 0 289.297 3.295 20 10 CGCDRN CCC1(C(=O)NCc2cc(C)ccc2O)CCCC1 ZINC000862758123 629430906 /nfs/dbraw/zinc/43/09/06/629430906.db2.gz PKVPOTYLBYFOKU-UHFFFAOYSA-N 0 0 261.365 3.287 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc(C)c(C)c2)c1 ZINC000862761577 629431856 /nfs/dbraw/zinc/43/18/56/629431856.db2.gz TYCCVRAIGPICOS-UHFFFAOYSA-N 0 0 283.371 3.176 20 10 CGCDRN CCCC(C)(C)CC(=O)NCc1ccc(OC)cc1O ZINC000794373168 629537747 /nfs/dbraw/zinc/53/77/47/629537747.db2.gz ICFFDPCKQHRBLY-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN CC[C@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC000794376251 629537973 /nfs/dbraw/zinc/53/79/73/629537973.db2.gz DCYYZELLBFWYSN-INIZCTEOSA-N 0 0 299.370 3.211 20 10 CGCDRN COc1ccc(CNC(=O)/C=C/C2CCCCC2)c(O)c1 ZINC000794379563 629538624 /nfs/dbraw/zinc/53/86/24/629538624.db2.gz QDQCRYWNCBSGEQ-JXMROGBWSA-N 0 0 289.375 3.154 20 10 CGCDRN CCC[C@@H](C(=O)NCc1ccc(OC)cc1O)C(C)C ZINC000794390021 629539128 /nfs/dbraw/zinc/53/91/28/629539128.db2.gz DNRGRFGRRYWRQJ-CQSZACIVSA-N 0 0 279.380 3.089 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000794826303 629582160 /nfs/dbraw/zinc/58/21/60/629582160.db2.gz AXBBGEKWMBATOB-NSHDSACASA-N 0 0 277.364 3.020 20 10 CGCDRN CNc1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000863482255 629587273 /nfs/dbraw/zinc/58/72/73/629587273.db2.gz WXUWIZNWXIDOTM-UHFFFAOYSA-N 0 0 255.365 3.406 20 10 CGCDRN C/C=C\C[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000863816382 629677775 /nfs/dbraw/zinc/67/77/75/629677775.db2.gz DAEOJAARWMIJTN-DHCBQETCSA-N 0 0 289.375 3.225 20 10 CGCDRN CC/C=C/CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836405514 634757920 /nfs/dbraw/zinc/75/79/20/634757920.db2.gz HBCULEVJEPXGHW-KTRBRXNASA-N 0 0 275.396 3.079 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000795829527 629718806 /nfs/dbraw/zinc/71/88/06/629718806.db2.gz LVXXFRFULWATBM-UHFFFAOYSA-N 0 0 292.379 3.192 20 10 CGCDRN CS(C)(=O)=Nc1cccc(NCc2ccccc2O)c1 ZINC000864015399 629724408 /nfs/dbraw/zinc/72/44/08/629724408.db2.gz NMVMGGBFIVRCES-UHFFFAOYSA-N 0 0 290.388 3.363 20 10 CGCDRN [O-]c1c(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)ccc(F)c1F ZINC000864052317 629747335 /nfs/dbraw/zinc/74/73/35/629747335.db2.gz HUONSUYKIOWNGH-UKRRQHHQSA-N 0 0 297.345 3.108 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864632833 629881874 /nfs/dbraw/zinc/88/18/74/629881874.db2.gz ROVZFDLILBTVJR-ZFVVBOAOSA-N 0 0 286.419 3.003 20 10 CGCDRN Oc1ccccc1CNCc1c(F)cc(F)c(F)c1F ZINC000797468018 629950435 /nfs/dbraw/zinc/95/04/35/629950435.db2.gz GMRZFEWHUQEVOA-UHFFFAOYSA-N 0 0 285.240 3.238 20 10 CGCDRN COC(=O)Nc1cccc(NCc2ccccc2O)c1C ZINC000797882005 629995896 /nfs/dbraw/zinc/99/58/96/629995896.db2.gz VYEMDENCOSGNSC-UHFFFAOYSA-N 0 0 286.331 3.491 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000797905867 630000562 /nfs/dbraw/zinc/00/05/62/630000562.db2.gz RDFPXZDGXCRKKG-WCQYABFASA-N 0 0 296.208 3.433 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000798090774 630021602 /nfs/dbraw/zinc/02/16/02/630021602.db2.gz KBYMBUVQCBCJTB-WCQYABFASA-N 0 0 251.757 3.324 20 10 CGCDRN COc1ccc(N(CC[C@@H](C)O)Cc2ccco2)cc1F ZINC000798195068 630032982 /nfs/dbraw/zinc/03/29/82/630032982.db2.gz CQPLIVAXDQLJIK-GFCCVEGCSA-N 0 0 293.338 3.205 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc([C@@H]3CCCO3)s2)c1 ZINC000865296192 630058644 /nfs/dbraw/zinc/05/86/44/630058644.db2.gz SKFKSYFMZFZGCL-LBPRGKRZSA-N 0 0 291.376 3.016 20 10 CGCDRN COc1cccc(CN(C)c2ccc3c(c2)OCO3)c1F ZINC000800519427 630291018 /nfs/dbraw/zinc/29/10/18/630291018.db2.gz PGZAILCSMVAIND-UHFFFAOYSA-N 0 0 289.306 3.199 20 10 CGCDRN O=C(NC[C@H]1CCCC(F)(F)C1)C1=CC(=O)CS1 ZINC000800696345 630295681 /nfs/dbraw/zinc/29/56/81/630295681.db2.gz PNSIXNPXSQFVCN-QMMMGPOBSA-N 0 0 275.320 3.009 20 10 CGCDRN CC[C@@H]1CCC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000836790535 634803078 /nfs/dbraw/zinc/80/30/78/634803078.db2.gz HWAZFJQKPHUAPG-ZAACICEASA-N 0 0 289.375 3.054 20 10 CGCDRN Cc1cc(C)nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000801079139 630323146 /nfs/dbraw/zinc/32/31/46/630323146.db2.gz LLTGHWMQQQDETK-UHFFFAOYSA-N 0 0 297.402 3.037 20 10 CGCDRN COc1ccc(N(CCc2ccnn2C)CC(C)C)cc1 ZINC000801930498 630369232 /nfs/dbraw/zinc/36/92/32/630369232.db2.gz CBWBEWCVGHYCIY-UHFFFAOYSA-N 0 0 287.407 3.134 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCCC[C@H]1C=CCC1 ZINC000876342056 634820228 /nfs/dbraw/zinc/82/02/28/634820228.db2.gz QZHCBOSXIPJSEF-AWEZNQCLSA-N 0 0 288.391 3.280 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccon1)c1cccc(Cl)c1[O-] ZINC000806143060 630548222 /nfs/dbraw/zinc/54/82/22/630548222.db2.gz SEWODSRCPSMSBI-GFCCVEGCSA-N 0 0 266.728 3.275 20 10 CGCDRN CC[C@@H]([NH2+]CC1(CO)CCC1)c1cccc(Cl)c1[O-] ZINC000806157301 630550507 /nfs/dbraw/zinc/55/05/07/630550507.db2.gz DOMVKKQLGXXSCL-CYBMUJFWSA-N 0 0 283.799 3.249 20 10 CGCDRN CCc1nocc1C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000840089306 630587974 /nfs/dbraw/zinc/58/79/74/630587974.db2.gz KQOZPKSHFKIKJI-UHFFFAOYSA-N 0 0 297.358 3.123 20 10 CGCDRN CC[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CC1(C)C ZINC000841593726 630598757 /nfs/dbraw/zinc/59/87/57/630598757.db2.gz KNYVSOFWNXMHRH-CHWSQXEVSA-N 0 0 276.380 3.016 20 10 CGCDRN CCN(Cc1nccn1CC(F)F)c1ccc(OC)cc1 ZINC000878218897 635418957 /nfs/dbraw/zinc/41/89/57/635418957.db2.gz CAYZQZPPQNXMBO-UHFFFAOYSA-N 0 0 295.333 3.183 20 10 CGCDRN Cc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1[O-])CCO2 ZINC000809703148 630787036 /nfs/dbraw/zinc/78/70/36/630787036.db2.gz FVYNXDSQUIQATB-UHFFFAOYSA-N 0 0 287.334 3.234 20 10 CGCDRN CN1CCCN(Cc2ccccc2O)c2ccccc21 ZINC000809785811 630808502 /nfs/dbraw/zinc/80/85/02/630808502.db2.gz CMMKKSCVHTWICA-UHFFFAOYSA-N 0 0 268.360 3.239 20 10 CGCDRN Oc1ccc(F)cc1CNC1(C(F)F)CCCC1 ZINC000809790091 630810768 /nfs/dbraw/zinc/81/07/68/630810768.db2.gz XQVZXMULOMOULX-UHFFFAOYSA-N 0 0 259.271 3.199 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)COc1ccc(N(C)C)cc1 ZINC000810002031 630826142 /nfs/dbraw/zinc/82/61/42/630826142.db2.gz QSJYNGVJZNLARQ-CQSZACIVSA-N 0 0 292.423 3.216 20 10 CGCDRN CN(C)c1ccc(OCC2CCC3(CC2)OCCO3)cc1 ZINC000810002000 630826310 /nfs/dbraw/zinc/82/63/10/630826310.db2.gz PRJWUCLMLVJORC-UHFFFAOYSA-N 0 0 291.391 3.065 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000810687189 630927601 /nfs/dbraw/zinc/92/76/01/630927601.db2.gz JTSVIPQGFBUJER-TZMCWYRMSA-N 0 0 292.448 3.073 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CC[C@@H]1CCOC1 ZINC000811508543 631078481 /nfs/dbraw/zinc/07/84/81/631078481.db2.gz VRZOIPGEJSRKTI-CQSZACIVSA-N 0 0 275.392 3.265 20 10 CGCDRN COc1ccc(O)c(CNc2cc(F)c(F)cc2OC)c1 ZINC000811512744 631079704 /nfs/dbraw/zinc/07/97/04/631079704.db2.gz RMCKMUHLTSYATA-UHFFFAOYSA-N 0 0 295.285 3.300 20 10 CGCDRN CCCCN(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000811510971 631080747 /nfs/dbraw/zinc/08/07/47/631080747.db2.gz AXZURCOORSKRPN-GFCCVEGCSA-N 0 0 284.831 3.256 20 10 CGCDRN CCN(CC)c1ccc(CNc2nccnc2C)cc1 ZINC000811736042 631115834 /nfs/dbraw/zinc/11/58/34/631115834.db2.gz GRPMRSHZHPQELY-UHFFFAOYSA-N 0 0 270.380 3.243 20 10 CGCDRN CC[C@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840238566 631127181 /nfs/dbraw/zinc/12/71/81/631127181.db2.gz NLYYZZHJQOCXOR-KBPBESRZSA-N 0 0 291.439 3.090 20 10 CGCDRN CC[C@@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840238569 631127225 /nfs/dbraw/zinc/12/72/25/631127225.db2.gz NLYYZZHJQOCXOR-ZIAGYGMSSA-N 0 0 291.439 3.090 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(CNc2cc3c(c[nH+]2)CCCC3)c1 ZINC000812345729 631239322 /nfs/dbraw/zinc/23/93/22/631239322.db2.gz LNHKLWNDGRZUFZ-UHFFFAOYSA-N 0 0 299.330 3.186 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H](C)COC ZINC000812492859 631268406 /nfs/dbraw/zinc/26/84/06/631268406.db2.gz PIDDWCGQZDRKAW-KBPBESRZSA-N 0 0 293.407 3.049 20 10 CGCDRN CO[C@](C)(C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000812734701 631299059 /nfs/dbraw/zinc/29/90/59/631299059.db2.gz QZDMQFBZYXTOIK-RFAUZJTJSA-N 0 0 285.334 3.136 20 10 CGCDRN Cn1cc(NCc2cccc(Cl)c2O)c(C2CC2)n1 ZINC000812777447 631307461 /nfs/dbraw/zinc/30/74/61/631307461.db2.gz LGBYXFDPVYZYEE-UHFFFAOYSA-N 0 0 277.755 3.269 20 10 CGCDRN CNC(=O)Oc1cccc(NCc2cc(C)ccc2O)c1 ZINC000813791560 631460645 /nfs/dbraw/zinc/46/06/45/631460645.db2.gz LDTWBWGCMFBYKQ-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN CC(C)(C)C1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000815147373 631730892 /nfs/dbraw/zinc/73/08/92/631730892.db2.gz RJORVPQKOYDKJJ-UHFFFAOYSA-N 0 0 278.352 3.215 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(C)(C)O ZINC000815604177 631804855 /nfs/dbraw/zinc/80/48/55/631804855.db2.gz GVNFFJVFASWKNE-DTWKUNHWSA-N 0 0 291.313 3.221 20 10 CGCDRN CN(Cc1ccccc1O)Cc1c(F)ccc(O)c1F ZINC000816493058 631992127 /nfs/dbraw/zinc/99/21/27/631992127.db2.gz NPMVCDFQVFYNMQ-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCO1 ZINC000816496100 631994275 /nfs/dbraw/zinc/99/42/75/631994275.db2.gz WIZGHXQCBMACFY-NSHDSACASA-N 0 0 287.762 3.186 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000816516422 632001752 /nfs/dbraw/zinc/00/17/52/632001752.db2.gz FHGAGTGPJIIQAH-WDEREUQCSA-N 0 0 299.773 3.043 20 10 CGCDRN CC[C@H](C)N(C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816545787 632007479 /nfs/dbraw/zinc/00/74/79/632007479.db2.gz HVGXOCLQHOBBAT-JTQLQIEISA-N 0 0 288.794 3.005 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000816557580 632011024 /nfs/dbraw/zinc/01/10/24/632011024.db2.gz VLNJINCFJYIJEB-QMMMGPOBSA-N 0 0 279.689 3.462 20 10 CGCDRN OCc1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816586885 632017223 /nfs/dbraw/zinc/01/72/23/632017223.db2.gz WPJICVXELISEAR-UHFFFAOYSA-N 0 0 281.714 3.289 20 10 CGCDRN C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609312 632023432 /nfs/dbraw/zinc/02/34/32/632023432.db2.gz XMBUIURXGDZJEI-RDDDGLTNSA-N 0 0 275.776 3.026 20 10 CGCDRN C[C@H](O)CCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817382269 632134873 /nfs/dbraw/zinc/13/48/73/632134873.db2.gz SONVUCPLMUEDBR-LBPRGKRZSA-N 0 0 283.799 3.480 20 10 CGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cnccn1 ZINC000817418182 632146250 /nfs/dbraw/zinc/14/62/50/632146250.db2.gz FJUHNQCVSIKQIN-HNNXBMFYSA-N 0 0 297.402 3.320 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3CCOCC3)cc12 ZINC000817760683 632223505 /nfs/dbraw/zinc/22/35/05/632223505.db2.gz DVLOTCZOEKXHMT-UHFFFAOYSA-N 0 0 287.359 3.127 20 10 CGCDRN Oc1cccc2c1[C@@H](Nc1ccc3c(c1)CCN3)CC2 ZINC000817947423 632244606 /nfs/dbraw/zinc/24/46/06/632244606.db2.gz NFCPIGHIVLPDHU-HNNXBMFYSA-N 0 0 266.344 3.460 20 10 CGCDRN C[C@H]([NH2+]CCNC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817953993 632249082 /nfs/dbraw/zinc/24/90/82/632249082.db2.gz URLIAPRDVGSZFF-QMMMGPOBSA-N 0 0 289.206 3.102 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)CN)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965849 632260286 /nfs/dbraw/zinc/26/02/86/632260286.db2.gz DDGBMLSRWINZSH-XCBNKYQSSA-N 0 0 277.195 3.087 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]CCC(C)(C)C(=O)[O-])cc1 ZINC000818629332 632343951 /nfs/dbraw/zinc/34/39/51/632343951.db2.gz ZSZNUXWTIPAYFA-UHFFFAOYSA-N 0 0 292.423 3.123 20 10 CGCDRN CCOc1ccccc1NC[C@H](O)Cc1ccc(F)cc1 ZINC000819392840 632447827 /nfs/dbraw/zinc/44/78/27/632447827.db2.gz YCTGFXFDGRNXQD-OAHLLOKOSA-N 0 0 289.350 3.240 20 10 CGCDRN CCn1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000822083346 632864360 /nfs/dbraw/zinc/86/43/60/632864360.db2.gz VZVVWMOTLYEXAO-CYBMUJFWSA-N 0 0 299.418 3.373 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000865904700 632944813 /nfs/dbraw/zinc/94/48/13/632944813.db2.gz QOTZTBXXFDJYMQ-YJBOKZPZSA-N 0 0 286.419 3.258 20 10 CGCDRN CC1=C(C)C[C@@](C)(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000822972680 633044218 /nfs/dbraw/zinc/04/42/18/633044218.db2.gz XDDOABINVCEJQF-KRWDZBQOSA-N 0 0 289.375 3.241 20 10 CGCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823526382 633118259 /nfs/dbraw/zinc/11/82/59/633118259.db2.gz QHHLGLSNYQEHHI-WFASDCNBSA-N 0 0 288.351 3.013 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866401706 633123848 /nfs/dbraw/zinc/12/38/48/633123848.db2.gz DSABMEAIDYMOAM-WDEREUQCSA-N 0 0 296.392 3.094 20 10 CGCDRN C[C@H](Nc1cnn2c1CCCC2)c1ccccc1O ZINC000866461850 633144661 /nfs/dbraw/zinc/14/46/61/633144661.db2.gz VLDVPTBWGQNEBY-NSHDSACASA-N 0 0 257.337 3.098 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)C1CCC=CCC1 ZINC000823769091 633150056 /nfs/dbraw/zinc/15/00/56/633150056.db2.gz JCKKULPDWCBDER-UHFFFAOYSA-N 0 0 296.370 3.303 20 10 CGCDRN CCn1nc(C)c(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000824292267 633226155 /nfs/dbraw/zinc/22/61/55/633226155.db2.gz MWZGHTWMZURPMK-UHFFFAOYSA-N 0 0 288.395 3.030 20 10 CGCDRN CC[C@@H](C)N(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824362019 633235937 /nfs/dbraw/zinc/23/59/37/633235937.db2.gz WOBJALNLBUQNFM-SNVBAGLBSA-N 0 0 276.340 3.110 20 10 CGCDRN CCc1cccc2c1N(C(=O)C1=CC(=O)CS1)CC2 ZINC000824682123 633272651 /nfs/dbraw/zinc/27/26/51/633272651.db2.gz AYAIYELDOOZROE-UHFFFAOYSA-N 0 0 273.357 3.219 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2c2ccccn2)ccc(F)c1F ZINC000876585431 634862433 /nfs/dbraw/zinc/86/24/33/634862433.db2.gz LJLLUYXXIYCTCA-AWEZNQCLSA-N 0 0 290.313 3.403 20 10 CGCDRN CCSCC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868325823 633314705 /nfs/dbraw/zinc/31/47/05/633314705.db2.gz MUHLIRQDOZNKAL-RYUDHWBXSA-N 0 0 296.436 3.284 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825284000 633341745 /nfs/dbraw/zinc/34/17/45/633341745.db2.gz CNQFADMGWGJMSC-CHWSQXEVSA-N 0 0 287.762 3.232 20 10 CGCDRN C[C@@H](NC(=O)N[C@H](C)C(C)(C)C)c1ccccc1O ZINC000868749251 633357970 /nfs/dbraw/zinc/35/79/70/633357970.db2.gz XLJXMKJDNBLDNV-GHMZBOCLSA-N 0 0 264.369 3.187 20 10 CGCDRN C[C@H](NC(=O)NCCCC1CCC1)c1ccccc1O ZINC000868777129 633362077 /nfs/dbraw/zinc/36/20/77/633362077.db2.gz TZEUVPFGNGGOKC-LBPRGKRZSA-N 0 0 276.380 3.333 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)c(C)o2)c1 ZINC000122287893 633363081 /nfs/dbraw/zinc/36/30/81/633363081.db2.gz ITTGUWOAHKPXDL-SNVBAGLBSA-N 0 0 289.331 3.102 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)[C@@]12C[C@@H]1CCCC2 ZINC000868938254 633380401 /nfs/dbraw/zinc/38/04/01/633380401.db2.gz SRTJKDUAXKQOLT-KSSFIOAISA-N 0 0 296.370 3.137 20 10 CGCDRN C[C@H](CC1CCC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868983744 633388098 /nfs/dbraw/zinc/38/80/98/633388098.db2.gz INHITQAIYBCWDV-NEPJUHHUSA-N 0 0 276.380 3.331 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CC=CCC1 ZINC000825980615 633393928 /nfs/dbraw/zinc/39/39/28/633393928.db2.gz HEXUMZUMJQZHMC-SFHVURJKSA-N 0 0 286.419 3.424 20 10 CGCDRN CCCCC[C@@H](O)C(=O)N(CCC)Cc1ccccc1O ZINC000827081171 633455185 /nfs/dbraw/zinc/45/51/85/633455185.db2.gz DAQMHTSTRXWAPE-MRXNPFEDSA-N 0 0 293.407 3.072 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1Cl ZINC000827152623 633464754 /nfs/dbraw/zinc/46/47/54/633464754.db2.gz UDIRZSGOSJWBTQ-INIZCTEOSA-N 0 0 295.810 3.091 20 10 CGCDRN CN(C)c1ccc(CNc2ncc(C(F)F)cn2)cc1F ZINC000827495977 633494787 /nfs/dbraw/zinc/49/47/87/633494787.db2.gz BRHQWQBWRWAFEC-UHFFFAOYSA-N 0 0 296.296 3.231 20 10 CGCDRN C[C@@H](NC(=O)CCc1cccs1)c1ccccc1O ZINC000827923544 633534637 /nfs/dbraw/zinc/53/46/37/633534637.db2.gz UTIADHPHDPWYPU-LLVKDONJSA-N 0 0 275.373 3.264 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H](C)n1cccc1)c1ccccc1O ZINC000827930090 633535540 /nfs/dbraw/zinc/53/55/40/633535540.db2.gz AQKJKTSFAOQDHK-CHWSQXEVSA-N 0 0 272.348 3.022 20 10 CGCDRN CC(C)CCO[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827931124 633536107 /nfs/dbraw/zinc/53/61/07/633536107.db2.gz ZBHNVOSFKJHVDZ-CHWSQXEVSA-N 0 0 279.380 3.021 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827952101 633538813 /nfs/dbraw/zinc/53/88/13/633538813.db2.gz GIVDTWULZFNDKS-YRGRVCCFSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCCC12CC2)c1ccccc1O ZINC000827956849 633540698 /nfs/dbraw/zinc/54/06/98/633540698.db2.gz PICNTNKRAOWKNH-WCQYABFASA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@H](NC(=O)[C@]1(C)CCC[C@@H]1C)c1ccccc1O ZINC000827964773 633541753 /nfs/dbraw/zinc/54/17/53/633541753.db2.gz USVYQMMIIZLSLO-MQIPJXDCSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@]1(C)CC=CCC1)c1ccccc1O ZINC000827964252 633542156 /nfs/dbraw/zinc/54/21/56/633542156.db2.gz JHQGVVVIUKMRMR-BLLLJJGKSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1ccccc1O ZINC000827973147 633542696 /nfs/dbraw/zinc/54/26/96/633542696.db2.gz ITRPLCGCXRPUCU-LBPRGKRZSA-N 0 0 299.345 3.440 20 10 CGCDRN CCO[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827978556 633544052 /nfs/dbraw/zinc/54/40/52/633544052.db2.gz XFDLRDJTPQPQIY-SUMWQHHRSA-N 0 0 299.370 3.347 20 10 CGCDRN CC[C@H](OC1CCCC1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978338 633544319 /nfs/dbraw/zinc/54/43/19/633544319.db2.gz PYBRGIQKRSJZLT-LRDDRELGSA-N 0 0 291.391 3.307 20 10 CGCDRN COc1ccccc1CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827984663 633544857 /nfs/dbraw/zinc/54/48/57/633544857.db2.gz CWPGCIWSGWYZQE-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827984947 633544861 /nfs/dbraw/zinc/54/48/61/633544861.db2.gz GLFYGCZUXSSPHR-UONOGXRCSA-N 0 0 299.370 3.345 20 10 CGCDRN CCc1cccc(OCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827984737 633545099 /nfs/dbraw/zinc/54/50/99/633545099.db2.gz DTXGORNBACKNOB-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827984730 633545113 /nfs/dbraw/zinc/54/51/13/633545113.db2.gz DPNYFCJTXURAFQ-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN CCN(CCC[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000828037857 633551737 /nfs/dbraw/zinc/55/17/37/633551737.db2.gz LBBMCFCHSLOKPV-AWEZNQCLSA-N 0 0 263.381 3.338 20 10 CGCDRN Cc1ccccc1[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000828328712 633605687 /nfs/dbraw/zinc/60/56/87/633605687.db2.gz ZVIUXZUXFNGXNQ-CYBMUJFWSA-N 0 0 281.355 3.347 20 10 CGCDRN C[C@@H](c1ccccc1)[C@H](O)CN(C)c1ccc2c(c1)OCO2 ZINC000828498909 633620768 /nfs/dbraw/zinc/62/07/68/633620768.db2.gz HXXUOWDOMQBXDU-XJKSGUPXSA-N 0 0 299.370 3.016 20 10 CGCDRN C/C=C(/C=C/C(=O)N1Cc2cccc(O)c2C1)CC ZINC000871202993 633723186 /nfs/dbraw/zinc/72/31/86/633723186.db2.gz JAHVBHGXIAVZFR-FNAOXXECSA-N 0 0 257.333 3.147 20 10 CGCDRN O=C([C@H]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC000871204087 633724407 /nfs/dbraw/zinc/72/44/07/633724407.db2.gz BLUMTTNTEWVHDE-HNNXBMFYSA-N 0 0 293.366 3.040 20 10 CGCDRN CC(C)c1occc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204989 633725302 /nfs/dbraw/zinc/72/53/02/633725302.db2.gz NQNDZZDURAIWTP-UHFFFAOYSA-N 0 0 271.316 3.265 20 10 CGCDRN COC(=O)c1cnc(S[C@H]2CC[C@@H](C)C2)s1 ZINC000829677961 633765368 /nfs/dbraw/zinc/76/53/68/633765368.db2.gz SUPOXENHYQEJRT-SFYZADRCSA-N 0 0 257.380 3.210 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)OC1CCC1 ZINC000829957367 633813353 /nfs/dbraw/zinc/81/33/53/633813353.db2.gz IHQXHGDJZNYZBV-UHFFFAOYSA-N 0 0 274.364 3.066 20 10 CGCDRN Nc1ccc(CC(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1 ZINC000829983252 633814722 /nfs/dbraw/zinc/81/47/22/633814722.db2.gz NUNGZMHFNXZCRO-UHFFFAOYSA-N 0 0 298.390 3.221 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)OC2CCC2)C2CC2)cc1 ZINC000830119077 633830042 /nfs/dbraw/zinc/83/00/42/633830042.db2.gz FLQUGHHLXIZBQK-UHFFFAOYSA-N 0 0 288.391 3.406 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000830558920 633871157 /nfs/dbraw/zinc/87/11/57/633871157.db2.gz DQORTAXNCIDCAZ-BMFZPTHFSA-N 0 0 299.414 3.323 20 10 CGCDRN CC(C)Nc1ccccc1N[C@H]1CCN(C2CCC2)C1=O ZINC000871846433 633892346 /nfs/dbraw/zinc/89/23/46/633892346.db2.gz NZACXCHGBFQYNY-INIZCTEOSA-N 0 0 287.407 3.072 20 10 CGCDRN Cc1cc(N(C)C)cc(C)c1NC(=O)C1=CC(=O)CS1 ZINC000831003726 633910358 /nfs/dbraw/zinc/91/03/58/633910358.db2.gz ZQLAVZPWYKDBQE-UHFFFAOYSA-N 0 0 290.388 3.389 20 10 CGCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000831406173 633954156 /nfs/dbraw/zinc/95/41/56/633954156.db2.gz KZGWHHLUFKRGHS-XJKSGUPXSA-N 0 0 274.408 3.239 20 10 CGCDRN COc1ccc(N(Cc2cc(C)ncn2)CC2CC2)cc1 ZINC000831592743 633980920 /nfs/dbraw/zinc/98/09/20/633980920.db2.gz DWHVVZCTRIOMJW-UHFFFAOYSA-N 0 0 283.375 3.210 20 10 CGCDRN Nc1ccc(CC(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000832054580 634026377 /nfs/dbraw/zinc/02/63/77/634026377.db2.gz PCHLGBNFFCIZIQ-UHFFFAOYSA-N 0 0 280.371 3.005 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)CCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000846209413 636159184 /nfs/dbraw/zinc/15/91/84/636159184.db2.gz RCWUXZRXUDMAQK-SFYZADRCSA-N 0 0 296.169 3.070 20 10 CGCDRN Cc1cc(C(=O)N2CC3(CC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000833327177 634117449 /nfs/dbraw/zinc/11/74/49/634117449.db2.gz SWQFTYBIGSZENW-UHFFFAOYSA-N 0 0 298.361 3.469 20 10 CGCDRN CC[C@@H](C)[C@@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000834542044 634178835 /nfs/dbraw/zinc/17/88/35/634178835.db2.gz HTHAPKLJCIRRDI-HZGVNTEJSA-N 0 0 281.299 3.161 20 10 CGCDRN CC[C@H](N[C@@H]1CCc2cccc(O)c21)C(F)(F)F ZINC000834779896 634241902 /nfs/dbraw/zinc/24/19/02/634241902.db2.gz YDFBHXVGTUZSEV-KOLCDFICSA-N 0 0 259.271 3.310 20 10 CGCDRN Oc1cccc2c1[C@@H](N[C@@H](C1CC1)C(F)(F)F)CC2 ZINC000834802943 634244903 /nfs/dbraw/zinc/24/49/03/634244903.db2.gz GZMOZNTVNAAOIW-GWCFXTLKSA-N 0 0 271.282 3.310 20 10 CGCDRN CC[C@@H](NCc1nn(C)cc1Cl)c1ccc(C)cc1O ZINC000834882344 634264667 /nfs/dbraw/zinc/26/46/67/634264667.db2.gz JMDYBUVTJPZMPY-CYBMUJFWSA-N 0 0 293.798 3.328 20 10 CGCDRN CC[C@H]([NH2+]Cc1cnccc1C)c1ccc(F)cc1[O-] ZINC000834885934 634266444 /nfs/dbraw/zinc/26/64/44/634266444.db2.gz GSYNTCGMVXFAQN-HNNXBMFYSA-N 0 0 274.339 3.476 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000834899785 634276959 /nfs/dbraw/zinc/27/69/59/634276959.db2.gz KBJWJJHGQXMDHN-NILFDRSVSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Cl)ccc1O ZINC000834903078 634280065 /nfs/dbraw/zinc/28/00/65/634280065.db2.gz IAFJPVPAFJWKMA-NOZJJQNGSA-N 0 0 269.772 3.121 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(Cl)c1[O-] ZINC000834906671 634282536 /nfs/dbraw/zinc/28/25/36/634282536.db2.gz RPNHTSDOPCSGPT-ZIAGYGMSSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CCC1 ZINC000126158221 634895858 /nfs/dbraw/zinc/89/58/58/634895858.db2.gz YLJOTOVBMNEPFX-CQSZACIVSA-N 0 0 299.418 3.051 20 10 CGCDRN Cc1ccc(CNc2ccc(O[C@@H]3CCOC3)cc2)c(O)c1 ZINC000876829533 634911212 /nfs/dbraw/zinc/91/12/12/634911212.db2.gz VOTYPNLXJDNGOS-QGZVFWFLSA-N 0 0 299.370 3.480 20 10 CGCDRN CC(C)CCC[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126301805 634956095 /nfs/dbraw/zinc/95/60/95/634956095.db2.gz YPTBXVKTEPKJFF-NSHDSACASA-N 0 0 265.353 3.042 20 10 CGCDRN CCC(CC)n1ccc(C(=O)N(C)c2ccc(N)cc2)n1 ZINC000877076167 634973297 /nfs/dbraw/zinc/97/32/97/634973297.db2.gz MVIBBCZXPBGDOF-UHFFFAOYSA-N 0 0 286.379 3.103 20 10 CGCDRN CCc1cc(C(=O)N(C)c2ccc(N)cc2)oc1CC ZINC000877075818 634973665 /nfs/dbraw/zinc/97/36/65/634973665.db2.gz ILCJEXPEONMEMA-UHFFFAOYSA-N 0 0 272.348 3.263 20 10 CGCDRN CC(C)C[C@H](C)OCCC(=O)N(C)c1ccc(N)cc1 ZINC000877077561 634975259 /nfs/dbraw/zinc/97/52/59/634975259.db2.gz MVKRHNLICVWYSK-ZDUSSCGKSA-N 0 0 278.396 3.073 20 10 CGCDRN Cc1nc(CCCC(=O)N(C)c2ccc(N)cc2)cs1 ZINC000877077813 634975432 /nfs/dbraw/zinc/97/54/32/634975432.db2.gz VOBIRSYSZCNDRP-UHFFFAOYSA-N 0 0 289.404 3.019 20 10 CGCDRN C[C@H](OC1CCCCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078570 634975604 /nfs/dbraw/zinc/97/56/04/634975604.db2.gz VEICPRNQAMFLEW-ZDUSSCGKSA-N 0 0 290.407 3.360 20 10 CGCDRN Cc1cccc(O)c1CNc1cnn(C(C)(C)C)c1 ZINC000877121893 634990547 /nfs/dbraw/zinc/99/05/47/634990547.db2.gz AFRXAPTXBQBAHE-UHFFFAOYSA-N 0 0 259.353 3.264 20 10 CGCDRN Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877135787 634997339 /nfs/dbraw/zinc/99/73/39/634997339.db2.gz NEEWQSUPHZWSLZ-JTQLQIEISA-N 0 0 278.302 3.225 20 10 CGCDRN Cc1cccc(O)c1CNc1cn(C)nc1C(C)C ZINC000877495001 635060588 /nfs/dbraw/zinc/06/05/88/635060588.db2.gz RJMFAESZBORFOE-UHFFFAOYSA-N 0 0 259.353 3.170 20 10 CGCDRN Cc1nc(CNCc2c(O)cc(C)cc2Cl)cs1 ZINC000840883033 635073089 /nfs/dbraw/zinc/07/30/89/635073089.db2.gz YKBVPOLWVLSPTQ-UHFFFAOYSA-N 0 0 282.796 3.409 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@H](O)C(C)C ZINC000840882207 635073400 /nfs/dbraw/zinc/07/34/00/635073400.db2.gz NIMJLBSNFAXCOU-BIGNPOOSSA-N 0 0 287.350 3.117 20 10 CGCDRN CCCn1cc(NCc2ccc(N(C)C)cc2C)cn1 ZINC000840930693 635083816 /nfs/dbraw/zinc/08/38/16/635083816.db2.gz FXPNQKUXMLYPIS-UHFFFAOYSA-N 0 0 272.396 3.280 20 10 CGCDRN CCCN(c1ccc(C[NH3+])cc1)C1CCC(C(=O)[O-])CC1 ZINC000840994687 635099960 /nfs/dbraw/zinc/09/99/60/635099960.db2.gz IVUINILWJSCDRO-UHFFFAOYSA-N 0 0 290.407 3.005 20 10 CGCDRN Cc1ccc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c(O)c1 ZINC000877607301 635109354 /nfs/dbraw/zinc/10/93/54/635109354.db2.gz CYJZVIZQLCDWQI-CQSZACIVSA-N 0 0 275.392 3.092 20 10 CGCDRN CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300374 635149524 /nfs/dbraw/zinc/14/95/24/635149524.db2.gz WDQUYFUMZNPKRY-NWDGAFQWSA-N 0 0 261.369 3.217 20 10 CGCDRN COc1ccc(CN2Cc3cccc(O)c3C2)cc1F ZINC000877703426 635155641 /nfs/dbraw/zinc/15/56/41/635155641.db2.gz IRQWJROUXFHEAU-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN CCOc1cc(CN2Cc3cccc(O)c3C2)ccc1OC ZINC000877703504 635155783 /nfs/dbraw/zinc/15/57/83/635155783.db2.gz MIYNUANDBSHKCP-UHFFFAOYSA-N 0 0 299.370 3.315 20 10 CGCDRN COCC(C)(C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877804697 635208018 /nfs/dbraw/zinc/20/80/18/635208018.db2.gz BGVCEJWLEPPFEO-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN CCOCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841742924 635220624 /nfs/dbraw/zinc/22/06/24/635220624.db2.gz ALLUUZRTJGMBIF-SNVBAGLBSA-N 0 0 257.761 3.123 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C[C@H](C)O ZINC000841754840 635229228 /nfs/dbraw/zinc/22/92/28/635229228.db2.gz MAPKCBJSNPGNFX-VWYCJHECSA-N 0 0 271.788 3.103 20 10 CGCDRN CCn1ncc(NCc2cc(Cl)c(F)cc2O)c1C ZINC000877833188 635234591 /nfs/dbraw/zinc/23/45/91/635234591.db2.gz UREDOKCATRDFKW-UHFFFAOYSA-N 0 0 283.734 3.322 20 10 CGCDRN CC1(C)CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841857488 635243854 /nfs/dbraw/zinc/24/38/54/635243854.db2.gz ZZYPJTAWURFMJT-HNNXBMFYSA-N 0 0 289.423 3.079 20 10 CGCDRN CCC1(CNC(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000841859531 635243997 /nfs/dbraw/zinc/24/39/97/635243997.db2.gz MDFWIMVKYMFRCQ-UHFFFAOYSA-N 0 0 289.423 3.081 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841888400 635247561 /nfs/dbraw/zinc/24/75/61/635247561.db2.gz IQWRGQOQGYPGEL-UHFFFAOYSA-N 0 0 279.355 3.065 20 10 CGCDRN CCC1(NC(=O)NCCc2ccc(N)cc2)CCCCC1 ZINC000841955594 635252272 /nfs/dbraw/zinc/25/22/72/635252272.db2.gz HRMYSIVHJKQTMM-UHFFFAOYSA-N 0 0 289.423 3.223 20 10 CGCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CC1(C)C ZINC000842192104 635309820 /nfs/dbraw/zinc/30/98/20/635309820.db2.gz VSMNFWSPVJCHRM-KBPBESRZSA-N 0 0 290.407 3.358 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(F)cc1[O-] ZINC000842896554 635508705 /nfs/dbraw/zinc/50/87/05/635508705.db2.gz WXNUVZYPAMUNOL-INIZCTEOSA-N 0 0 289.350 3.265 20 10 CGCDRN C[C@@H](c1nc(Cc2ccc(N)cc2)no1)C(C)(C)C ZINC000843158476 635587307 /nfs/dbraw/zinc/58/73/07/635587307.db2.gz DIJGZGJASGQGRK-JTQLQIEISA-N 0 0 259.353 3.392 20 10 CGCDRN CCCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843426494 635669962 /nfs/dbraw/zinc/66/99/62/635669962.db2.gz XBEFLBVDUXZKCG-AWEZNQCLSA-N 0 0 289.778 3.216 20 10 CGCDRN C[C@@H]1CC2(C[N@@H+]1Cc1cccc(Cl)c1[O-])CCOCC2 ZINC000843432610 635674392 /nfs/dbraw/zinc/67/43/92/635674392.db2.gz ZPZPSXAMQHYFLY-GFCCVEGCSA-N 0 0 295.810 3.437 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1c[nH]nc1C(C)(C)C ZINC000127691947 635768863 /nfs/dbraw/zinc/76/88/63/635768863.db2.gz CTJIONYVEHUFHQ-UHFFFAOYSA-N 0 0 285.391 3.279 20 10 CGCDRN COc1cccc(CNC(=O)C[C@H]2CCC[C@H](C)C2)c1O ZINC000105650541 635976417 /nfs/dbraw/zinc/97/64/17/635976417.db2.gz RXFFQQQIOXHDEU-STQMWFEESA-N 0 0 291.391 3.233 20 10 CGCDRN CSc1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000845519144 636044131 /nfs/dbraw/zinc/04/41/31/636044131.db2.gz LLDOTCJEGRVEML-NSHDSACASA-N 0 0 288.420 3.438 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1ccnc(C2CC2)n1 ZINC000845709188 636084878 /nfs/dbraw/zinc/08/48/78/636084878.db2.gz NDLJKUJLEKMQQM-UHFFFAOYSA-N 0 0 275.739 3.325 20 10 CGCDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000846051591 636139087 /nfs/dbraw/zinc/13/90/87/636139087.db2.gz GWADSCNRHOOMIE-JTQLQIEISA-N 0 0 287.762 3.186 20 10 CGCDRN COc1cccc([C@H](C)Nc2cnn(CC3CC3)c2)c1O ZINC000846161174 636151368 /nfs/dbraw/zinc/15/13/68/636151368.db2.gz VVTRJPOKXWSVQE-NSHDSACASA-N 0 0 287.363 3.180 20 10 CGCDRN COc1cccc([C@@H](C)Nc2cccc(CCO)c2)c1O ZINC000846170702 636152702 /nfs/dbraw/zinc/15/27/02/636152702.db2.gz YVQGPLOFDRLKTJ-GFCCVEGCSA-N 0 0 287.359 3.109 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C(C)(C)C)c1 ZINC000846215311 636160503 /nfs/dbraw/zinc/16/05/03/636160503.db2.gz XERUZATZVTXRJX-GHMZBOCLSA-N 0 0 279.380 3.264 20 10 CGCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846473210 636187124 /nfs/dbraw/zinc/18/71/24/636187124.db2.gz RIJVDECRCHHXNT-VIFPVBQESA-N 0 0 267.756 3.098 20 10 CGCDRN C[C@H]1CC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474760 636187766 /nfs/dbraw/zinc/18/77/66/636187766.db2.gz BDHIMYPVVGYJAL-WDEREUQCSA-N 0 0 281.783 3.488 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846476262 636189203 /nfs/dbraw/zinc/18/92/03/636189203.db2.gz KRIVWRUQBBFHEG-GWCFXTLKSA-N 0 0 281.783 3.488 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000846660610 636214052 /nfs/dbraw/zinc/21/40/52/636214052.db2.gz XJAJEPKYPJGRES-WCBMZHEXSA-N 0 0 253.367 3.008 20 10 CGCDRN CC1(NC(=O)NCCCSc2nccs2)CC=CC1 ZINC000847336287 636381157 /nfs/dbraw/zinc/38/11/57/636381157.db2.gz PAWNMZPTVIIEQB-UHFFFAOYSA-N 0 0 297.449 3.033 20 10 CGCDRN CCOc1ccc(N(C)CCNC(=O)OC(C)(C)C)cc1 ZINC000130563794 636477231 /nfs/dbraw/zinc/47/72/31/636477231.db2.gz CCTNXITWLLLNAY-UHFFFAOYSA-N 0 0 294.395 3.046 20 10 CGCDRN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882980490 636487335 /nfs/dbraw/zinc/48/73/35/636487335.db2.gz KURAEHMQCNEGOV-JTQLQIEISA-N 0 0 293.313 3.097 20 10 CGCDRN Cc1csc(C(C)(C)[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883005305 636502348 /nfs/dbraw/zinc/50/23/48/636502348.db2.gz JUYVGQFSYJGYMA-UHFFFAOYSA-N 0 0 298.358 3.460 20 10 CGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC000883017831 636507829 /nfs/dbraw/zinc/50/78/29/636507829.db2.gz COBMCSYVMWACTG-KBPBESRZSA-N 0 0 297.345 3.108 20 10 CGCDRN CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883029168 636513375 /nfs/dbraw/zinc/51/33/75/636513375.db2.gz IMNPYGIYIHCZOB-ZBEGNZNMSA-N 0 0 299.361 3.211 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(CCO)CCCCC1 ZINC000883033427 636514279 /nfs/dbraw/zinc/51/42/79/636514279.db2.gz RMMKJMNVKQCLFU-UHFFFAOYSA-N 0 0 299.361 3.093 20 10 CGCDRN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883152702 636558784 /nfs/dbraw/zinc/55/87/84/636558784.db2.gz DXANSUFMSXRVLJ-TXEJJXNPSA-N 0 0 285.334 3.106 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000883175301 636567556 /nfs/dbraw/zinc/56/75/56/636567556.db2.gz DDIVRNQLRQOMFI-OAHLLOKOSA-N 0 0 291.297 3.153 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000848564536 636608421 /nfs/dbraw/zinc/60/84/21/636608421.db2.gz HGSOCHDNARWGBU-MNOVXSKESA-N 0 0 292.329 3.347 20 10 CGCDRN CCc1cccc(CNc2cccc(C(=O)N(C)C)c2)c1O ZINC000848892093 636679127 /nfs/dbraw/zinc/67/91/27/636679127.db2.gz KWBRELFCRUWZJR-UHFFFAOYSA-N 0 0 298.386 3.269 20 10 CGCDRN CCc1cccc(CN2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000848915860 636689724 /nfs/dbraw/zinc/68/97/24/636689724.db2.gz MRWMAGBRYUPFQH-MRXNPFEDSA-N 0 0 299.418 3.271 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)c3ccco3)cc2)CC1 ZINC000108295020 636750706 /nfs/dbraw/zinc/75/07/06/636750706.db2.gz KAGRVBLWVICFRI-UHFFFAOYSA-N 0 0 298.386 3.446 20 10 CGCDRN CCCOc1ccc(C=C2SC(=S)NC2=O)c(C)c1 ZINC000849178133 636766544 /nfs/dbraw/zinc/76/65/44/636766544.db2.gz VKHYXSCOMBAWOL-XYOKQWHBSA-N 0 0 293.413 3.273 20 10 CGCDRN CC1(C)CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132765672 636836045 /nfs/dbraw/zinc/83/60/45/636836045.db2.gz YFKUBNKVBPEPIF-UHFFFAOYSA-N 0 0 284.197 3.387 20 10 CGCDRN C=C/C=C\CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000883826044 636855081 /nfs/dbraw/zinc/85/50/81/636855081.db2.gz ZBKGSSTUXHXGNQ-SREVYHEPSA-N 0 0 287.407 3.026 20 10 CGCDRN CC(=O)O[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000849888159 636899686 /nfs/dbraw/zinc/89/96/86/636899686.db2.gz YZCWBKYTWAPCGO-MRVPVSSYSA-N 0 0 259.396 3.442 20 10 CGCDRN O[C@@H]1CCC[C@@H](CSc2ncc(Cl)s2)C1 ZINC000850000174 636925091 /nfs/dbraw/zinc/92/50/91/636925091.db2.gz LQKCUBGLVQJSKF-HTQZYQBOSA-N 0 0 263.815 3.440 20 10 CGCDRN CCOC(=O)C(C)(C)CSc1ncc(Cl)s1 ZINC000850000444 636925140 /nfs/dbraw/zinc/92/51/40/636925140.db2.gz VHSRTIWYTBQXKQ-UHFFFAOYSA-N 0 0 279.814 3.478 20 10 CGCDRN CCCn1c(C)nnc1CSc1ncc(Cl)s1 ZINC000850000135 636925221 /nfs/dbraw/zinc/92/52/21/636925221.db2.gz KMJLYBOHHCSSRG-UHFFFAOYSA-N 0 0 288.829 3.399 20 10 CGCDRN CCCOc1cccc(C(=O)NCc2ccccc2O)c1 ZINC000133752796 636973144 /nfs/dbraw/zinc/97/31/44/636973144.db2.gz MARXJQYQJWABOW-UHFFFAOYSA-N 0 0 285.343 3.111 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc2c(s1)CCCC2 ZINC000133798775 636978538 /nfs/dbraw/zinc/97/85/38/636978538.db2.gz SZMKUUKWPKFULY-UHFFFAOYSA-N 0 0 287.384 3.263 20 10 CGCDRN CC[C@H]([NH2+]C/C=C\CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000850509978 637096264 /nfs/dbraw/zinc/09/62/64/637096264.db2.gz UTZUVXLYLQHPMQ-BYCRGOAPSA-N 0 0 290.190 3.288 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(Cl)c1[O-] ZINC000850516092 637099182 /nfs/dbraw/zinc/09/91/82/637099182.db2.gz SIYCLEJTDOJVOD-GXFFZTMASA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@@H]([NH2+]CCc1ccoc1)c1ccc(F)cc1[O-] ZINC000850532535 637109143 /nfs/dbraw/zinc/10/91/43/637109143.db2.gz VIHVHMISMXNONA-CQSZACIVSA-N 0 0 263.312 3.408 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccn1 ZINC000886489447 637538967 /nfs/dbraw/zinc/53/89/67/637538967.db2.gz IXNGJDJZTPJOFI-QWRGUYRKSA-N 0 0 260.312 3.338 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1c([O-])cccc1F ZINC000886493401 637540959 /nfs/dbraw/zinc/54/09/59/637540959.db2.gz JVIUFJWAXZXLHC-GFCCVEGCSA-N 0 0 288.366 3.448 20 10 CGCDRN CC[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)N1CCCC1 ZINC000886501553 637543186 /nfs/dbraw/zinc/54/31/86/637543186.db2.gz OCXRNTSDOKXMCS-OLZOCXBDSA-N 0 0 280.387 3.056 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886512643 637547361 /nfs/dbraw/zinc/54/73/61/637547361.db2.gz JYDCSFKGNGSZMX-MEBBXXQBSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H]([NH2+]CCC1(F)CCC1)c1c([O-])cccc1F ZINC000886609186 637602886 /nfs/dbraw/zinc/60/28/86/637602886.db2.gz NTJMFJFOMMBYDK-JTQLQIEISA-N 0 0 255.308 3.464 20 10 CGCDRN CCCc1ncc(CN[C@H](C)c2c(O)cccc2F)o1 ZINC000886620511 637613260 /nfs/dbraw/zinc/61/32/60/637613260.db2.gz LMOXQZNOFDFAQL-SNVBAGLBSA-N 0 0 278.327 3.323 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1c([O-])cccc1F ZINC000886650457 637629818 /nfs/dbraw/zinc/62/98/18/637629818.db2.gz XJUAPAHQZQNCOG-BXUZGUMPSA-N 0 0 281.371 3.123 20 10 CGCDRN CCN(CC)c1ccc(CNc2cc(CO)cc(C)n2)cc1 ZINC000853193662 637778449 /nfs/dbraw/zinc/77/84/49/637778449.db2.gz WOTDXHQMIZSEGZ-UHFFFAOYSA-N 0 0 299.418 3.341 20 10 CGCDRN Cc1csc2c1ncnc2NCc1ccccc1O ZINC000222323207 637790697 /nfs/dbraw/zinc/79/06/97/637790697.db2.gz GEDOJESWLPJBQL-UHFFFAOYSA-N 0 0 271.345 3.317 20 10 CGCDRN Cc1nc(C)c(COc2ccc(N3CCCC3)cc2)o1 ZINC000853675712 637889779 /nfs/dbraw/zinc/88/97/79/637889779.db2.gz XLCOXXPZUINCGO-UHFFFAOYSA-N 0 0 272.348 3.471 20 10 CGCDRN O=C(NCCC1CCC(F)(F)CC1)c1cccc(O)c1O ZINC000890060417 638159351 /nfs/dbraw/zinc/15/93/51/638159351.db2.gz VXVILBVBXLQKBH-UHFFFAOYSA-N 0 0 299.317 3.043 20 10 CGCDRN C[C@@H](NC(=O)NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1O ZINC000924404701 638340333 /nfs/dbraw/zinc/34/03/33/638340333.db2.gz HVWLTEMDMDVQRZ-OSFYFWSMSA-N 0 0 288.391 3.189 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH+]1CC(CC2CC2)C1 ZINC000857066809 638448294 /nfs/dbraw/zinc/44/82/94/638448294.db2.gz WLRKZKDKHNQLLE-UHFFFAOYSA-N 0 0 296.208 3.387 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCC(C)C ZINC000115281100 638515364 /nfs/dbraw/zinc/51/53/64/638515364.db2.gz BZJLENBRJVDLAG-UHFFFAOYSA-N 0 0 262.397 3.113 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC(C)(C)C ZINC000115281972 638515657 /nfs/dbraw/zinc/51/56/57/638515657.db2.gz XADRRDUEZRBZAQ-UHFFFAOYSA-N 0 0 262.397 3.113 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000858095176 638625723 /nfs/dbraw/zinc/62/57/23/638625723.db2.gz MGZPZJAGJSFAHD-OCCSQVGLSA-N 0 0 276.380 3.079 20 10 CGCDRN CCCCN(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115855883 638626989 /nfs/dbraw/zinc/62/69/89/638626989.db2.gz DOVOIHBYFSBFAN-UHFFFAOYSA-N 0 0 291.439 3.393 20 10 CGCDRN CN(C)c1ccc(CNCc2ccncc2Cl)cc1F ZINC000858115931 638635494 /nfs/dbraw/zinc/63/54/94/638635494.db2.gz GJAWHTFBEZNUEU-UHFFFAOYSA-N 0 0 293.773 3.230 20 10 CGCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1cc(C)ccc1O ZINC000858293302 638674574 /nfs/dbraw/zinc/67/45/74/638674574.db2.gz LKNNBMVVAZUTFF-JSGCOSHPSA-N 0 0 276.380 3.079 20 10 CGCDRN Nc1ccc(NC(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000926141516 638720970 /nfs/dbraw/zinc/72/09/70/638720970.db2.gz FDMZNTNUWSPTIA-KBXCAEBGSA-N 0 0 293.370 3.074 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCC(C)(C)C2CC2)c1 ZINC000858493795 638742689 /nfs/dbraw/zinc/74/26/89/638742689.db2.gz HLAAIQHQOKAQRM-UHFFFAOYSA-N 0 0 290.407 3.326 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000926946635 638828362 /nfs/dbraw/zinc/82/83/62/638828362.db2.gz CHIFYZFTHSUILP-DKCNOQQISA-N 0 0 277.261 3.380 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000927070791 638838108 /nfs/dbraw/zinc/83/81/08/638838108.db2.gz VEAQKVSKODNADF-BNLOLNQZSA-N 0 0 293.382 3.387 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C1(C2CCC2)CCC1 ZINC000928706612 638889291 /nfs/dbraw/zinc/88/92/91/638889291.db2.gz SABKJYZJDIEDKN-UHFFFAOYSA-N 0 0 277.339 3.118 20 10 CGCDRN COc1ccc(N(C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000929347088 638920374 /nfs/dbraw/zinc/92/03/74/638920374.db2.gz FXQGAMKTUSZSGQ-WDNDVIMCSA-N 0 0 293.407 3.344 20 10 CGCDRN CCO[C@H](CN(C)c1ccc(OC)c(F)c1)C1CC1 ZINC000859163794 639095670 /nfs/dbraw/zinc/09/56/70/639095670.db2.gz QZLKNUYMEDEROE-OAHLLOKOSA-N 0 0 267.344 3.086 20 10 CGCDRN CCN(Cc1noc(C2CCC2)n1)c1ccc(OC)cc1 ZINC000859174713 639099096 /nfs/dbraw/zinc/09/90/96/639099096.db2.gz DRVYVWFARFPXBU-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN COC1CC(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)C1 ZINC000860833996 639438130 /nfs/dbraw/zinc/43/81/30/639438130.db2.gz KCELBKZHRYWWSA-UHFFFAOYSA-N 0 0 287.359 3.126 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000861599304 639599492 /nfs/dbraw/zinc/59/94/92/639599492.db2.gz RJWDBGRDGLZVCE-PIGZYNQJSA-N 0 0 296.370 3.045 20 10 CGCDRN C[C@@H]1CC=C(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862025507 639634981 /nfs/dbraw/zinc/63/49/81/639634981.db2.gz WRXLQKOIFPZACO-GFCCVEGCSA-N 0 0 296.370 3.303 20 10 CGCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)C1CCCC1 ZINC000862027340 639636640 /nfs/dbraw/zinc/63/66/40/639636640.db2.gz ODSVOKMXOJKKLK-LBPRGKRZSA-N 0 0 298.386 3.383 20 10 CGCDRN COc1ccc(CNC(=O)[C@H](C)c2ccccc2C)c(O)c1 ZINC000935771291 639856909 /nfs/dbraw/zinc/85/69/09/639856909.db2.gz QRYXGHQMUCJFFX-CYBMUJFWSA-N 0 0 299.370 3.129 20 10 CGCDRN CC[C@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155675917 639945761 /nfs/dbraw/zinc/94/57/61/639945761.db2.gz YDNGWTPBSPNFRP-AWEZNQCLSA-N 0 0 287.407 3.003 20 10 CGCDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000047323778 640010656 /nfs/dbraw/zinc/01/06/56/640010656.db2.gz JQICALUPTVYCKH-UHFFFAOYSA-N 0 0 270.332 3.365 20 10 CGCDRN Cc1cc(O)c(CNc2nncn2-c2ccccc2)cc1C ZINC000190081825 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/nfs/dbraw/zinc/12/22/13/810122213.db2.gz NEXUOIFALWBUAF-GWCFXTLKSA-N 0 0 284.197 3.305 20 10 CGCDRN Oc1ccc(F)cc1CNc1cccc2nccnc21 ZINC001183429131 810148512 /nfs/dbraw/zinc/14/85/12/810148512.db2.gz PCOPPFSTKSBBRB-UHFFFAOYSA-N 0 0 269.279 3.087 20 10 CGCDRN CC(C)c1ccccc1C(=O)NCc1ccccc1O ZINC001190265294 810615682 /nfs/dbraw/zinc/61/56/82/810615682.db2.gz NMSNQPBGNQIQGN-UHFFFAOYSA-N 0 0 269.344 3.446 20 10 CGCDRN Cc1ccc(CN(C)c2ccc3c(c2)OCO3)nc1Cl ZINC001192282063 810784915 /nfs/dbraw/zinc/78/49/15/810784915.db2.gz HFPIZODPHNMQDI-UHFFFAOYSA-N 0 0 290.750 3.409 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)OCc2ccccc2C)c1 ZINC001192732410 810819386 /nfs/dbraw/zinc/81/93/86/810819386.db2.gz CVTGAWMIIKHNDJ-UHFFFAOYSA-N 0 0 285.343 3.435 20 10 CGCDRN COCOc1ccc(C)c(N(C)c2ccc(N)cc2)c1 ZINC001214371346 815402622 /nfs/dbraw/zinc/40/26/22/815402622.db2.gz YFOXQSZYGSPPIU-UHFFFAOYSA-N 0 0 272.348 3.328 20 10 CGCDRN O=C(OC1CCCCC1)N1CCc2cccc(O)c2C1 ZINC001193624322 810921735 /nfs/dbraw/zinc/92/17/35/810921735.db2.gz 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ZPQJWYKKYOXXSD-UHFFFAOYSA-N 0 0 278.308 3.046 20 10 CGCDRN Cc1ccc(F)cc1NC(=S)NCc1ccc(F)cn1 ZINC001195936817 811303828 /nfs/dbraw/zinc/30/38/28/811303828.db2.gz KCZIKELABPPOKM-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cnoc2C(C)C)c(O)c1 ZINC001199746927 811595189 /nfs/dbraw/zinc/59/51/89/811595189.db2.gz CCIQJFTZNIXZRV-UHFFFAOYSA-N 0 0 288.347 3.050 20 10 CGCDRN CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202101236 812015006 /nfs/dbraw/zinc/01/50/06/812015006.db2.gz GDNQLVCLSSHSKM-CABCVRRESA-N 0 0 299.361 3.354 20 10 CGCDRN Cn1nc(NCc2cc(Cl)cc(F)c2O)cc1C1CC1 ZINC001202619018 812137947 /nfs/dbraw/zinc/13/79/47/812137947.db2.gz NGCGLRHTMVTCBG-UHFFFAOYSA-N 0 0 295.745 3.408 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])nc1 ZINC001202964205 812211278 /nfs/dbraw/zinc/21/12/78/812211278.db2.gz JNBZWMNLJQFTQQ-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN C[N@H+](Cc1ccno1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203587082 812401322 /nfs/dbraw/zinc/40/13/22/812401322.db2.gz ZZOGUYWVPDDHBG-UHFFFAOYSA-N 0 0 287.146 3.319 20 10 CGCDRN CCOc1cccc(CN2Cc3ccc(F)cc3C2)c1O ZINC001203609539 812405222 /nfs/dbraw/zinc/40/52/22/812405222.db2.gz XVZKSKJTQRCCBO-UHFFFAOYSA-N 0 0 287.334 3.446 20 10 CGCDRN COc1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc(O)c1O ZINC001204344536 812616610 /nfs/dbraw/zinc/61/66/10/812616610.db2.gz IFVXAHOPSUJWFR-KGLIPLIRSA-N 0 0 291.391 3.119 20 10 CGCDRN CCN(Cc1nc(C)cs1)Cc1ccccc1O ZINC001204380040 812623928 /nfs/dbraw/zinc/62/39/28/812623928.db2.gz YVRUBDPVKYMYMJ-UHFFFAOYSA-N 0 0 262.378 3.179 20 10 CGCDRN Cn1c(=O)cc(-c2cncc(C3CC3)c2)c2ccccc21 ZINC001204598338 812685539 /nfs/dbraw/zinc/68/55/39/812685539.db2.gz UQQCOIQSJGSTBH-UHFFFAOYSA-N 0 0 276.339 3.478 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C/C=C/c1ccccc1 ZINC001204983573 812809253 /nfs/dbraw/zinc/80/92/53/812809253.db2.gz BKKPKYLSCAPWBS-QPJJXVBHSA-N 0 0 275.298 3.473 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](C3CC3)C2)ccc(F)c1F ZINC001206117013 813205406 /nfs/dbraw/zinc/20/54/06/813205406.db2.gz WHVLUXHBBVPSDS-LLVKDONJSA-N 0 0 267.319 3.292 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC001206160026 813219488 /nfs/dbraw/zinc/21/94/88/813219488.db2.gz VQEIRNGXWTUTBX-UHFFFAOYSA-N 0 0 277.261 3.195 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001207621579 813618925 /nfs/dbraw/zinc/61/89/25/813618925.db2.gz HZVOXFRSBYJAGZ-UHFFFAOYSA-N 0 0 270.307 3.302 20 10 CGCDRN CC(C)C[C@H](C)OC(=O)NCc1ccc(N(C)C)cc1 ZINC001208048898 813687425 /nfs/dbraw/zinc/68/74/25/813687425.db2.gz GGBWOPJBJXKESF-ZDUSSCGKSA-N 0 0 278.396 3.413 20 10 CGCDRN COc1cc(Nc2ccc3c(c2)OCCN3)cc(Cl)n1 ZINC001209714292 814117558 /nfs/dbraw/zinc/11/75/58/814117558.db2.gz SOWIKSHMPDFWNH-UHFFFAOYSA-N 0 0 291.738 3.292 20 10 CGCDRN C[C@@H](O)c1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209728980 814122523 /nfs/dbraw/zinc/12/25/23/814122523.db2.gz YHEWSDJYRFSGLC-LLVKDONJSA-N 0 0 270.332 3.288 20 10 CGCDRN COC(=O)c1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209767068 814134804 /nfs/dbraw/zinc/13/48/04/814134804.db2.gz IZDGJTHVDPYUGY-UHFFFAOYSA-N 0 0 284.315 3.021 20 10 CGCDRN Nc1cccc(Cl)c1Nc1ccc2c(c1)OCCN2 ZINC001209766909 814134864 /nfs/dbraw/zinc/13/48/64/814134864.db2.gz FTBHHWYAUKRPBY-UHFFFAOYSA-N 0 0 275.739 3.470 20 10 CGCDRN c1cc(Nc2ccc3c(c2)OCCN3)cc2c1OCC2 ZINC001209767101 814134873 /nfs/dbraw/zinc/13/48/73/814134873.db2.gz JNHGQIORYUSDOK-UHFFFAOYSA-N 0 0 268.316 3.169 20 10 CGCDRN Cc1cc(O)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209768384 814134908 /nfs/dbraw/zinc/13/49/08/814134908.db2.gz ZGPWEKLPRFCHJI-UHFFFAOYSA-N 0 0 256.305 3.249 20 10 CGCDRN C=Cc1cccc(N(CCO)c2ccc(N)cc2)c1 ZINC001209918825 814199127 /nfs/dbraw/zinc/19/91/27/814199127.db2.gz AJWXBHRQZCDWFJ-UHFFFAOYSA-N 0 0 254.333 3.042 20 10 CGCDRN Oc1cccc(Nc2ccc3cnccc3c2)c1O ZINC001210047927 814265500 /nfs/dbraw/zinc/26/55/00/814265500.db2.gz PBIYJLSDRHOJTI-UHFFFAOYSA-N 0 0 252.273 3.390 20 10 CGCDRN CN(c1ccc(N)cc1)c1cncc(N2CCCC2)c1 ZINC001210611335 814555320 /nfs/dbraw/zinc/55/53/20/814555320.db2.gz CJCNPRFQDJTEJT-UHFFFAOYSA-N 0 0 268.364 3.032 20 10 CGCDRN COc1ncc(N(C)c2ccc(N)cc2)cc1Cl ZINC001211049368 814721635 /nfs/dbraw/zinc/72/16/35/814721635.db2.gz IIICZSAPDSLFQO-UHFFFAOYSA-N 0 0 263.728 3.094 20 10 CGCDRN Cn1cncc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001211251274 814861585 /nfs/dbraw/zinc/86/15/85/814861585.db2.gz CYMRIHIEYLKMGD-UHFFFAOYSA-N 0 0 279.347 3.054 20 10 CGCDRN Nc1ccc(Nc2cccc(O)c2O)cc1C(F)(F)F ZINC001216052652 815673806 /nfs/dbraw/zinc/67/38/06/815673806.db2.gz RLTHKEWBXLYVLJ-UHFFFAOYSA-N 0 0 284.237 3.442 20 10 CGCDRN COc1cc(C)c(C)cc1Nc1cccc(O)c1O ZINC001216375538 815803219 /nfs/dbraw/zinc/80/32/19/815803219.db2.gz PHSAGYRUINDZDQ-UHFFFAOYSA-N 0 0 259.305 3.467 20 10 CGCDRN CCOC(=O)[C@@H]1CCC[C@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939177 817758920 /nfs/dbraw/zinc/75/89/20/817758920.db2.gz NXLNSXVRUGXXSY-CJNGLKHVSA-N 0 0 291.391 3.253 20 10 CGCDRN COC(=O)C[C@H]1CCC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939102 817759478 /nfs/dbraw/zinc/75/94/78/817759478.db2.gz LKFFRINCIZIZJZ-XJKSGUPXSA-N 0 0 291.391 3.253 20 10 CGCDRN O=C1c2ccccc2C(=O)c2c(OC3CCC3)ccc(O)c21 ZINC001228210115 817839256 /nfs/dbraw/zinc/83/92/56/817839256.db2.gz CJKAFNUTNRGJBE-UHFFFAOYSA-N 0 0 294.306 3.099 20 10 CGCDRN O=C1c2ccccc2C(=O)c2cc(OC3CC3)ccc21 ZINC001231265573 818067634 /nfs/dbraw/zinc/06/76/34/818067634.db2.gz GMHUSRZZNLRWPS-UHFFFAOYSA-N 0 0 264.280 3.003 20 10 CGCDRN CCc1ccc(CN2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001231643051 818145614 /nfs/dbraw/zinc/14/56/14/818145614.db2.gz WYGFCYABPDVUSX-UHFFFAOYSA-N 0 0 298.386 3.004 20 10 CGCDRN Cc1cc(O)c(CN2CCCCC23COC3)cc1Cl ZINC001231870740 818193690 /nfs/dbraw/zinc/19/36/90/818193690.db2.gz RCZIPZCNVBSOSP-UHFFFAOYSA-N 0 0 281.783 3.109 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001231911736 818209638 /nfs/dbraw/zinc/20/96/38/818209638.db2.gz KWEYQFCXRDSPNW-CQSZACIVSA-N 0 0 289.766 3.173 20 10 CGCDRN C[N@@H+](Cc1c([O-])ccc(F)c1F)C[C@@H]1CC1(C)C ZINC001233335436 818588336 /nfs/dbraw/zinc/58/83/36/818588336.db2.gz VESCUULBZPEIST-VIFPVBQESA-N 0 0 255.308 3.148 20 10 CGCDRN C[N@H+](Cc1cccnc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416009 818615233 /nfs/dbraw/zinc/61/52/33/818615233.db2.gz SJVBHDJMVQWNNJ-UHFFFAOYSA-N 0 0 296.292 3.438 20 10 CGCDRN CCO[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418891 818615849 /nfs/dbraw/zinc/61/58/49/818615849.db2.gz ABLKNHHIJPXBAJ-LLVKDONJSA-N 0 0 289.297 3.022 20 10 CGCDRN CCCC(=O)c1cc(O)c(O)cc1OC1CCC1 ZINC001233496903 818627934 /nfs/dbraw/zinc/62/79/34/818627934.db2.gz KOEGKMRFYYFBFV-UHFFFAOYSA-N 0 0 250.294 3.012 20 10 CGCDRN CCN1CCc2cc(O[C@H]3CCCn4cc(C)nc43)ccc21 ZINC001233601651 818656136 /nfs/dbraw/zinc/65/61/36/818656136.db2.gz LVESWARGGUQVCE-KRWDZBQOSA-N 0 0 297.402 3.488 20 10 CGCDRN CC[NH+]1CCN(c2ccc(O[C@@H](C)C3=CC=C[CH]3)cc2)CC1 ZINC001234658101 818908144 /nfs/dbraw/zinc/90/81/44/818908144.db2.gz UOCLGQNIRUXNQQ-INIZCTEOSA-N 0 0 297.422 3.296 20 10 CGCDRN CC(C)Oc1cncc(-c2nccc3c2ccn3C)c1 ZINC001236513278 819509530 /nfs/dbraw/zinc/50/95/30/819509530.db2.gz BRGJSSZJEJYBOG-UHFFFAOYSA-N 0 0 267.332 3.423 20 10 CGCDRN CCc1ccc(CN2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001236782912 819594050 /nfs/dbraw/zinc/59/40/50/819594050.db2.gz GTOLOVYUDAZSRR-ZDUSSCGKSA-N 0 0 273.298 3.134 20 10 CGCDRN CCc1ccc(CN2Cc3cnc(C)cc3C2)c(O)c1 ZINC001236786456 819595216 /nfs/dbraw/zinc/59/52/16/819595216.db2.gz BTGJDYZYTDVGQY-UHFFFAOYSA-N 0 0 268.360 3.174 20 10 CGCDRN COc1cc(C)c(CN2CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001236808721 819603782 /nfs/dbraw/zinc/60/37/82/819603782.db2.gz RQFQGCGYEPRQMU-ZDUSSCGKSA-N 0 0 289.297 3.236 20 10 CGCDRN COc1ccc(C[N@@H+]2C[C@@H](C)CC23CC3)c([O-])c1Cl ZINC001236809718 819605078 /nfs/dbraw/zinc/60/50/78/819605078.db2.gz NWFPAZXJLUEJAG-JTQLQIEISA-N 0 0 281.783 3.429 20 10 CGCDRN CN(Cc1cc2ccccc2cc1O)CC(F)F ZINC001236836066 819614725 /nfs/dbraw/zinc/61/47/25/819614725.db2.gz XDMCFKLGNJHYCS-UHFFFAOYSA-N 0 0 251.276 3.242 20 10 CGCDRN CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001237049814 819652115 /nfs/dbraw/zinc/65/21/15/819652115.db2.gz KBFZHWBASJVDEP-BETUJISGSA-N 0 0 297.345 3.268 20 10 CGCDRN Oc1ccc(F)c(Cl)c1CN1CCC[C@@H](F)C1 ZINC001237123862 819673864 /nfs/dbraw/zinc/67/38/64/819673864.db2.gz HIGCNUCNUYOQLK-MRVPVSSYSA-N 0 0 261.699 3.119 20 10 CGCDRN C[N@H+](CCc1cccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622127 819788397 /nfs/dbraw/zinc/78/83/97/819788397.db2.gz NHIPRDBJCWHIEX-UHFFFAOYSA-N 0 0 294.757 3.254 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237623384 819788728 /nfs/dbraw/zinc/78/87/28/819788728.db2.gz MKSRXKBCNNINGJ-PELKAZGASA-N 0 0 255.720 3.169 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCC(=O)[C@@H](C)CC2)c1O ZINC001237680811 819805729 /nfs/dbraw/zinc/80/57/29/819805729.db2.gz HXRBZQDENACFRO-JTQLQIEISA-N 0 0 281.783 3.155 20 10 CGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(CCOC2)CC1 ZINC001237807462 819848177 /nfs/dbraw/zinc/84/81/77/819848177.db2.gz JLKYTAWXGQXRLI-UHFFFAOYSA-N 0 0 299.773 3.187 20 10 CGCDRN CCO[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935983 819889255 /nfs/dbraw/zinc/88/92/55/819889255.db2.gz HSDIEPDZDCEMKI-LLVKDONJSA-N 0 0 287.762 3.186 20 10 CGCDRN Cc1cc(F)cc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001238058453 819920014 /nfs/dbraw/zinc/92/00/14/819920014.db2.gz SBZMBPKXPUWORG-LSDHHAIUSA-N 0 0 291.366 3.173 20 10 CGCDRN Cc1cc(OC(C)C)ncc1-c1ccn(CC2CC2)c(=O)c1 ZINC001238827907 820126968 /nfs/dbraw/zinc/12/69/68/820126968.db2.gz ATTYWGYFDQGOTN-UHFFFAOYSA-N 0 0 298.386 3.416 20 10 CGCDRN Cc1cc2cc(-c3cc(=O)n(C)c4ccccc34)cnc2[nH]1 ZINC001240496271 821092605 /nfs/dbraw/zinc/09/26/05/821092605.db2.gz KSZBGLBETKUJHF-UHFFFAOYSA-N 0 0 289.338 3.390 20 10 CGCDRN Cn1ccc2ccc(-c3nccc4ncn(C)c43)cc21 ZINC001240572107 821158957 /nfs/dbraw/zinc/15/89/57/821158957.db2.gz QDAZPCMYFKXIFF-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN Cn1ccc2ccc(-c3cn4ncnc4cc3F)cc21 ZINC001240576708 821162633 /nfs/dbraw/zinc/16/26/33/821162633.db2.gz KXAIASCESSDSAQ-UHFFFAOYSA-N 0 0 266.279 3.027 20 10 CGCDRN CC(C)Cn1ccc(-c2cnc3cccnc3c2)cc1=O ZINC001241384759 821785098 /nfs/dbraw/zinc/78/50/98/821785098.db2.gz JLOLBDZEQGPIFR-UHFFFAOYSA-N 0 0 279.343 3.115 20 10 CGCDRN O=c1cc(-c2cncs2)ccn1Cc1cccc(F)c1 ZINC001241499058 821901571 /nfs/dbraw/zinc/90/15/71/821901571.db2.gz CKXUOUSJTJJMBP-UHFFFAOYSA-N 0 0 286.331 3.159 20 10 CGCDRN Cn1ccc2c1cccc2-c1cccc2c1NC(=O)C2 ZINC001241822770 822163929 /nfs/dbraw/zinc/16/39/29/822163929.db2.gz XSMFIZJHZUPOGB-UHFFFAOYSA-N 0 0 262.312 3.340 20 10 CGCDRN COCCn1ccc2c1ncnc2-c1cccc2cc[nH]c21 ZINC001242359401 822965828 /nfs/dbraw/zinc/96/58/28/822965828.db2.gz RTEZJEZETLREQX-UHFFFAOYSA-N 0 0 292.342 3.226 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)cc1 ZINC001342018619 936457533 /nfs/dbraw/zinc/45/75/33/936457533.db2.gz AYNNUADAFQMCOD-USXIJHARSA-N 0 0 286.419 3.492 20 10 CGCDRN CN(CCCC(F)(F)F)c1ccc2c(c1)OCO2 ZINC001342777414 936479030 /nfs/dbraw/zinc/47/90/30/936479030.db2.gz AOBYHUJPBPZGPQ-UHFFFAOYSA-N 0 0 261.243 3.194 20 10 CGCDRN CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001348045116 936908480 /nfs/dbraw/zinc/90/84/80/936908480.db2.gz BCOUESTVRGRBTL-MRXNPFEDSA-N 0 0 299.370 3.154 20 10 CGCDRN CC[C@@H](C)C[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC001349359008 936947251 /nfs/dbraw/zinc/94/72/51/936947251.db2.gz HOJZOPWUIPYZTM-NEPJUHHUSA-N 0 0 276.380 3.242 20 10 CGCDRN COc1cncc(NCc2ccc(N3CCCC3)cc2)c1 ZINC001351756734 937024256 /nfs/dbraw/zinc/02/42/56/937024256.db2.gz NUCFGVAPIAKWHJ-UHFFFAOYSA-N 0 0 283.375 3.303 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2cccc(F)c21 ZINC001355838690 937147803 /nfs/dbraw/zinc/14/78/03/937147803.db2.gz AHTJKSWRHACMDF-ZRDIBKRKSA-N 0 0 282.318 3.213 20 10 CGCDRN CN(C)c1ccc(/C=C/c2nnc(C3CC3)o2)cc1 ZINC001254077908 928778443 /nfs/dbraw/zinc/77/84/43/928778443.db2.gz OXUVKJHJYRYNSM-BJMVGYQFSA-N 0 0 255.321 3.183 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1c(F)cccc1F ZINC001452946499 937400076 /nfs/dbraw/zinc/40/00/76/937400076.db2.gz NVGWHRMHALNGKZ-UHFFFAOYSA-N 0 0 297.688 3.254 20 10 CGCDRN CC(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC001454803836 937412718 /nfs/dbraw/zinc/41/27/18/937412718.db2.gz GXUDGDRBUVUGSR-LLVKDONJSA-N 0 0 283.327 3.086 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccccc1O ZINC001454795556 937412729 /nfs/dbraw/zinc/41/27/29/937412729.db2.gz LMAYLSNQAWHQII-SECBINFHSA-N 0 0 277.270 3.161 20 10 CGCDRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001454795445 937412819 /nfs/dbraw/zinc/41/28/19/937412819.db2.gz KGPIMLIJXIBLBL-GFCCVEGCSA-N 0 0 285.343 3.282 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1ccc(C2CC2)cc1 ZINC001456031425 937424901 /nfs/dbraw/zinc/42/49/01/937424901.db2.gz XDIXLRSFTXVCCT-UHFFFAOYSA-N 0 0 285.318 3.339 20 10 CGCDRN Cc1cc(C)c(C(=O)NCc2c(O)ccc3ccccc32)[nH]1 ZINC001456307474 937429134 /nfs/dbraw/zinc/42/91/34/937429134.db2.gz CGQCDKSUMRSEBI-UHFFFAOYSA-N 0 0 294.354 3.420 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1ccc2ncccc2c1 ZINC001303878591 932836603 /nfs/dbraw/zinc/83/66/03/932836603.db2.gz ODMDARJKMOHPJK-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001462362361 937635570 /nfs/dbraw/zinc/63/55/70/937635570.db2.gz BSRPUCJSLPRNMW-UWVGGRQHSA-N 0 0 259.271 3.041 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1[C@@H]1CCCO1 ZINC001308800636 933179460 /nfs/dbraw/zinc/17/94/60/933179460.db2.gz FDYVAQKKISFCOJ-LSDHHAIUSA-N 0 0 297.345 3.060 20 10 CGCDRN CC(C)CCO[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001308882150 933196201 /nfs/dbraw/zinc/19/62/01/933196201.db2.gz DCGXKEQIEGETJF-CYBMUJFWSA-N 0 0 299.361 3.307 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001308949247 933210028 /nfs/dbraw/zinc/21/00/28/933210028.db2.gz WYNGNXQNEIIQPG-UHFFFAOYSA-N 0 0 281.714 3.180 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c([O-])cccc1F ZINC001308947287 933210079 /nfs/dbraw/zinc/21/00/79/933210079.db2.gz BQUUXXBKLVNJND-VXGBXAGGSA-N 0 0 251.345 3.447 20 10 CGCDRN Cc1cccc(F)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC001319105563 933823905 /nfs/dbraw/zinc/82/39/05/933823905.db2.gz DXFWEJWZIPNKFO-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN CCCCCCNC(=O)NCc1cccc(Cl)c1O ZINC001467626209 937719758 /nfs/dbraw/zinc/71/97/58/937719758.db2.gz XGUKWYPITHRJJM-UHFFFAOYSA-N 0 0 284.787 3.425 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3.241 20 10 CGCDRN C[C@@H]1C[C@H]1C(=O)CSc1ncc(-c2ccccc2)n1C ZINC001472953772 937789387 /nfs/dbraw/zinc/78/93/87/937789387.db2.gz XLCCKQUMJRHUGS-DGCLKSJQSA-N 0 0 286.400 3.404 20 10 CGCDRN COc1ccc(N(CCOC2CC2)CC(C)C)cc1 ZINC001473559090 937811307 /nfs/dbraw/zinc/81/13/07/937811307.db2.gz GCHVZDBASOIDKM-UHFFFAOYSA-N 0 0 263.381 3.337 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001330866260 935331034 /nfs/dbraw/zinc/33/10/34/935331034.db2.gz PXGFDUICLPSUCE-UHFFFAOYSA-N 0 0 291.700 3.462 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCOc2ccccc2C)c1 ZINC001331805746 935411273 /nfs/dbraw/zinc/41/12/73/935411273.db2.gz AMIBNAWZBBDYRZ-UHFFFAOYSA-N 0 0 299.370 3.094 20 10 CGCDRN C[C@@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(N)cc1 ZINC001332067360 935437759 /nfs/dbraw/zinc/43/77/59/935437759.db2.gz AAPWUFDMQZYUEQ-IBGZPJMESA-N 0 0 294.398 3.349 20 10 CGCDRN COc1cc(Cl)cc(C[NH2+]CCCC(F)F)c1O ZINC001333796200 936067047 /nfs/dbraw/zinc/06/70/47/936067047.db2.gz PMUQGSPZJGOFKY-UHFFFAOYSA-N 0 0 279.714 3.189 20 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O=C(NCc1ccccc1O)NC[C@H]1C[C@H]1C1CCCC1 ZINC001514804482 938002798 /nfs/dbraw/zinc/00/27/98/938002798.db2.gz BWNRCZNQPVFZAZ-CABCVRRESA-N 0 0 288.391 3.018 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001514804483 938002925 /nfs/dbraw/zinc/00/29/25/938002925.db2.gz BWNRCZNQPVFZAZ-GJZGRUSLSA-N 0 0 288.391 3.018 20 10 CGCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1cccc(C)c1 ZINC001524875179 938046294 /nfs/dbraw/zinc/04/62/94/938046294.db2.gz UFWUILWVMYEBKC-KAMYIIQDSA-N 0 0 281.359 3.241 20 10 CGCDRN COCCN(C(=O)/C=C\c1cnccc1C)c1ccccc1 ZINC001525787349 938051413 /nfs/dbraw/zinc/05/14/13/938051413.db2.gz LDIAWIAZEMSCOS-HJWRWDBZSA-N 0 0 296.370 3.083 20 10 CGCDRN C/C(=C/C(=O)N(C)c1cc(C)cc(C)c1)c1cnccn1 ZINC001527754165 938063526 /nfs/dbraw/zinc/06/35/26/938063526.db2.gz PWKKZNJJZDHTPH-UVTDQMKNSA-N 0 0 281.359 3.160 20 10 CGCDRN Cc1cc(CC(=O)NC[C@@H]2C[C@H]2C)c(C)n1-c1ccccc1 ZINC001540818497 938134193 /nfs/dbraw/zinc/13/41/93/938134193.db2.gz VQXXIEAMUKIBPO-DYVFJYSZSA-N 0 0 296.414 3.409 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCCc2cc(F)ccc21 ZINC001543161974 938138037 /nfs/dbraw/zinc/13/80/37/938138037.db2.gz CLIFUYVVCPUEIC-UHFFFAOYSA-N 0 0 277.320 3.186 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2occc2[nH]1 ZINC001557387148 938209712 /nfs/dbraw/zinc/20/97/12/938209712.db2.gz PRWOSSAVWJBROE-UHFFFAOYSA-N 0 0 290.706 3.050 20 10 CGCDRN Cc1ccc(C(=O)N(C)c2cccc3cc[nH]c32)c(O)c1O ZINC001557874554 938212131 /nfs/dbraw/zinc/21/21/31/938212131.db2.gz RBPAXCZHQGPBOJ-UHFFFAOYSA-N 0 0 296.326 3.164 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2occc2c1 ZINC001557957116 938212688 /nfs/dbraw/zinc/21/26/88/938212688.db2.gz SFLHFFCKFAPRAJ-QHHAFSJGSA-N 0 0 295.294 3.496 20 10 CGCDRN CCc1ccc(C(=O)NCc2cccc(O)c2O)cc1CC ZINC001558161683 938213993 /nfs/dbraw/zinc/21/39/93/938213993.db2.gz QAADIVHZLYKMSS-UHFFFAOYSA-N 0 0 299.370 3.153 20 10 CGCDRN CC(C)CC1(C(=O)NCc2c(O)cccc2O)CCCC1 ZINC001558533570 938216170 /nfs/dbraw/zinc/21/61/70/938216170.db2.gz HQQFRZZDBVVSAT-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN O=C(NCCCC1CCCCC1)c1c(F)ccc(O)c1O ZINC001558912363 938218457 /nfs/dbraw/zinc/21/84/57/938218457.db2.gz OBFHFKWXHIIGQK-UHFFFAOYSA-N 0 0 295.354 3.327 20 10 CGCDRN Cc1ccc(O)c(CNc2ccsc2[N+](=O)[O-])c1 ZINC001559240204 938223399 /nfs/dbraw/zinc/22/33/99/938223399.db2.gz HAXJWLOQGMJWOT-UHFFFAOYSA-N 0 0 264.306 3.282 20 10 CGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cnn(C)c1 ZINC001559927007 938239368 /nfs/dbraw/zinc/23/93/68/938239368.db2.gz DOBZTDJACQIOOC-MRXNPFEDSA-N 0 0 299.418 3.264 20 10 CGCDRN CN(C)c1ccc(CNCc2nc3ccccc3o2)cc1F ZINC001560298910 938251867 /nfs/dbraw/zinc/25/18/67/938251867.db2.gz XZKCYVXXVVNBGT-UHFFFAOYSA-N 0 0 299.349 3.323 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1cccc(F)c1F ZINC001560332500 938253477 /nfs/dbraw/zinc/25/34/77/938253477.db2.gz MAZXOUVUUVCHBP-UHFFFAOYSA-N 0 0 299.267 3.281 20 10 CGCDRN CCOC(=O)CN(Cc1cc(Cl)c(C)cc1O)C(C)C ZINC001560681028 938269582 /nfs/dbraw/zinc/26/95/82/938269582.db2.gz SCYVDVISXLIYGZ-UHFFFAOYSA-N 0 0 299.798 3.128 20 10 CGCDRN COc1ccc(O)c(CN2C[C@H](C)Oc3cc(C)ccc32)c1 ZINC001560775254 938275428 /nfs/dbraw/zinc/27/54/28/938275428.db2.gz FQWVXHLVHXPRMG-ZDUSSCGKSA-N 0 0 299.370 3.497 20 10 CGCDRN Oc1c(F)cccc1CN1Cc2cc(F)c(F)cc2C1 ZINC001560905787 938283261 /nfs/dbraw/zinc/28/32/61/938283261.db2.gz OBTBPTQWHOMRAU-UHFFFAOYSA-N 0 0 279.261 3.325 20 10 CGCDRN CC[C@H]1CN(Cc2cc(F)c(F)cc2O)[C@@H](CC)CO1 ZINC001560919664 938283932 /nfs/dbraw/zinc/28/39/32/938283932.db2.gz KGLONKBCVYABGB-RYUDHWBXSA-N 0 0 285.334 3.060 20 10 CGCDRN C[C@H]1CCCC[C@H]1CNC(=O)NCc1c(O)cccc1F ZINC001563851718 938305483 /nfs/dbraw/zinc/30/54/83/938305483.db2.gz ANGIQVBCMYSITJ-RYUDHWBXSA-N 0 0 294.370 3.157 20 10 CGCDRN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCC(=O)[O-])c1O ZINC001594307105 957977817 /nfs/dbraw/zinc/97/78/17/957977817.db2.gz DTRNURDIHMTECU-SNVBAGLBSA-N 0 0 285.771 3.260 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001117548170 958822579 /nfs/dbraw/zinc/82/25/79/958822579.db2.gz PMEJQIUIKVLIKH-HTQZYQBOSA-N 0 0 279.727 3.251 20 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OPBJSGSJCRWZJW-UHFFFAOYSA-N 0 0 290.407 3.020 20 10 CGCDRN CCOC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC000095931297 185032876 /nfs/dbraw/zinc/03/28/76/185032876.db2.gz XRZIKBMEDHOXNW-UHFFFAOYSA-N 0 0 276.361 3.053 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000053915151 345126163 /nfs/dbraw/zinc/12/61/63/345126163.db2.gz DPQWQTPDEQXCIA-JKSUJKDBSA-N 0 0 299.345 3.293 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)CC2CCCC2)cc1 ZINC000060678567 345222079 /nfs/dbraw/zinc/22/20/79/345222079.db2.gz XJGHDPDOVNQAAO-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN C[C@@H](Sc1nccs1)c1nc(C2CC2)no1 ZINC000064660100 345263785 /nfs/dbraw/zinc/26/37/85/345263785.db2.gz BKSULMGZAGLGTO-ZCFIWIBFSA-N 0 0 253.352 3.257 20 10 CGCDRN Cc1cc(C(=O)N(C)CC(C)C)c(C)n1-c1ccccn1 ZINC000078588156 345615287 /nfs/dbraw/zinc/61/52/87/345615287.db2.gz KDBDIFYZDOHMEU-UHFFFAOYSA-N 0 0 285.391 3.217 20 10 CGCDRN Cc1nc(C)c(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000083933957 345727950 /nfs/dbraw/zinc/72/79/50/345727950.db2.gz QUMAGUGRAAQQGN-UHFFFAOYSA-N 0 0 291.376 3.129 20 10 CGCDRN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(F)c(F)c1[O-] ZINC000276898256 296117470 /nfs/dbraw/zinc/11/74/70/296117470.db2.gz IOHKYJJCWNGEFX-LLVKDONJSA-N 0 0 299.361 3.264 20 10 CGCDRN CCN(Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000124808257 370927487 /nfs/dbraw/zinc/92/74/87/370927487.db2.gz BFOVFMZAQHQCBB-UHFFFAOYSA-N 0 0 276.767 3.463 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCS1 ZINC000124854025 370929139 /nfs/dbraw/zinc/92/91/39/370929139.db2.gz KGINSHZAYFGUKO-CYBMUJFWSA-N 0 0 271.813 3.421 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C\c2cncs2)c1C ZINC000493667245 244208772 /nfs/dbraw/zinc/20/87/72/244208772.db2.gz YTJRFYUNRPZXLX-FPLPWBNLSA-N 0 0 272.373 3.436 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCc2cc(F)c(F)cc21 ZINC000493699079 244214976 /nfs/dbraw/zinc/21/49/76/244214976.db2.gz VLCGOJMVZIMIAN-UPHRSURJSA-N 0 0 292.310 3.024 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)[C@H](C)C1 ZINC000113622958 370477434 /nfs/dbraw/zinc/47/74/34/370477434.db2.gz MFJXPGKGCGPNIZ-NFAWXSAZSA-N 0 0 290.407 3.358 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000135214929 371402022 /nfs/dbraw/zinc/40/20/22/371402022.db2.gz YQOSVKRNOASFDS-RKDXNWHRSA-N 0 0 290.190 3.214 20 10 CGCDRN C[C@]1(CCCO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000290300235 371958412 /nfs/dbraw/zinc/95/84/12/371958412.db2.gz BGLYFGRIVSCRAZ-OAHLLOKOSA-N 0 0 283.799 3.173 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168864637 372620742 /nfs/dbraw/zinc/62/07/42/372620742.db2.gz STAWEJQPQKZGGD-ONGXEEELSA-N 0 0 257.374 3.324 20 10 CGCDRN Cc1ncsc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294974380 372682627 /nfs/dbraw/zinc/68/26/27/372682627.db2.gz JGJNRDGELGJEGB-UHFFFAOYSA-N 0 0 282.796 3.143 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)CCC2CCC2)cc1 ZINC000175810301 373523325 /nfs/dbraw/zinc/52/33/25/373523325.db2.gz WBXNRDHWFHARNH-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN CCN(CC)c1ccc(CNc2cncc(C)n2)cc1F ZINC000302208567 373826763 /nfs/dbraw/zinc/82/67/63/373826763.db2.gz FPBVVIOHODJUTO-UHFFFAOYSA-N 0 0 288.370 3.382 20 10 CGCDRN COc1cc(O)c(CN(C)c2ccccc2)cc1OC ZINC000180413270 374001398 /nfs/dbraw/zinc/00/13/98/374001398.db2.gz GIVCLVFSSCUTBN-UHFFFAOYSA-N 0 0 273.332 3.046 20 10 CGCDRN Cc1ccc([C@@H]2COCCN2Cc2cccc(C)c2O)o1 ZINC000180289925 373989295 /nfs/dbraw/zinc/98/92/95/373989295.db2.gz IZUUSAXVUPXNTO-HNNXBMFYSA-N 0 0 287.359 3.176 20 10 CGCDRN CCOC(=O)[C@@H](CC(C)C)Sc1nccs1 ZINC000180972465 374063636 /nfs/dbraw/zinc/06/36/36/374063636.db2.gz GPALJHHPVBADEE-SECBINFHSA-N 0 0 259.396 3.213 20 10 CGCDRN CCC[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181187309 374091295 /nfs/dbraw/zinc/09/12/95/374091295.db2.gz NHWDXSUYQFLHMO-RCQQVGEISA-N 0 0 289.375 3.150 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000183471912 374417647 /nfs/dbraw/zinc/41/76/47/374417647.db2.gz WILWWJHWXMOGOE-CYBMUJFWSA-N 0 0 299.370 3.076 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]CCc2cn3ccccc3n2)c1 ZINC000184969474 374573679 /nfs/dbraw/zinc/57/36/79/374573679.db2.gz LIWZIWRRWPFPHK-AWEZNQCLSA-N 0 0 295.386 3.242 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC1(C)C ZINC000471718750 375008187 /nfs/dbraw/zinc/00/81/87/375008187.db2.gz XBJPZFDAHPSDKR-OAHLLOKOSA-N 0 0 285.391 3.084 20 10 CGCDRN C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000187685533 375070803 /nfs/dbraw/zinc/07/08/03/375070803.db2.gz PNQBFZCCRCIUCA-SNVBAGLBSA-N 0 0 285.334 3.016 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187800764 375099288 /nfs/dbraw/zinc/09/92/88/375099288.db2.gz LKPCADGTKKWBOJ-ZJUUUORDSA-N 0 0 287.350 3.118 20 10 CGCDRN CC[C@H](Sc1nccs1)C(=O)OC(C)(C)C ZINC000187911431 375115938 /nfs/dbraw/zinc/11/59/38/375115938.db2.gz AVPKORGVNMCIBR-QMMMGPOBSA-N 0 0 259.396 3.356 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187919038 375117542 /nfs/dbraw/zinc/11/75/42/375117542.db2.gz CIRNBAHGLRGSMC-SNVBAGLBSA-N 0 0 287.350 3.384 20 10 CGCDRN CC(C)=CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000191117610 375579158 /nfs/dbraw/zinc/57/91/58/375579158.db2.gz IAIMNIAGXWRMAE-UHFFFAOYSA-N 0 0 287.407 3.052 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000191603802 375644428 /nfs/dbraw/zinc/64/44/28/375644428.db2.gz QRJQCNDNDHHNHI-IINYFYTJSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192882616 375797157 /nfs/dbraw/zinc/79/71/57/375797157.db2.gz ZQYUZVUYSMFOPF-SFYZADRCSA-N 0 0 278.179 3.121 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCC12CC2 ZINC000528861227 375912130 /nfs/dbraw/zinc/91/21/30/375912130.db2.gz JPTJNCQHEDEVLL-INIZCTEOSA-N 0 0 299.414 3.468 20 10 CGCDRN Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(N)cc2)c1 ZINC000237872882 376762002 /nfs/dbraw/zinc/76/20/02/376762002.db2.gz CGKRIFQXILRBNL-UHFFFAOYSA-N 0 0 295.386 3.430 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(OC2CCC2)cc1 ZINC000266642932 378024310 /nfs/dbraw/zinc/02/43/10/378024310.db2.gz YJOQUCWDOJCJEM-UHFFFAOYSA-N 0 0 297.354 3.254 20 10 CGCDRN C/C=C/C=C/C(=O)N(CCC)Cc1ccccc1O ZINC000269187513 378194896 /nfs/dbraw/zinc/19/48/96/378194896.db2.gz VSHATGYZJYVSGI-JFDBYLHYSA-N 0 0 259.349 3.263 20 10 CGCDRN C[C@H](CN(C)C(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000269235552 378200626 /nfs/dbraw/zinc/20/06/26/378200626.db2.gz UBGQWRVRHMRPOW-CQSZACIVSA-N 0 0 282.387 3.073 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccccc1OC ZINC000270387086 378344569 /nfs/dbraw/zinc/34/45/69/378344569.db2.gz LTPOFADUMSZVPJ-UHFFFAOYSA-N 0 0 299.370 3.453 20 10 CGCDRN CCCn1c(C)nnc1CN(CC)c1ccc(OC)cc1 ZINC000270837283 378404855 /nfs/dbraw/zinc/40/48/55/378404855.db2.gz UEUSVFAEBUDWOG-UHFFFAOYSA-N 0 0 288.395 3.032 20 10 CGCDRN CC(C)(C)c1cnc(Sc2nccn3cnnc23)s1 ZINC000271275746 378488297 /nfs/dbraw/zinc/48/82/97/378488297.db2.gz BLCOVKAUNCZYDB-UHFFFAOYSA-N 0 0 291.405 3.030 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273496255 378750115 /nfs/dbraw/zinc/75/01/15/378750115.db2.gz PGQAMLPGZWLGFY-ZJUUUORDSA-N 0 0 284.381 3.093 20 10 CGCDRN COc1ccc(N(CCCO)Cc2cccs2)cc1 ZINC000272882623 378717328 /nfs/dbraw/zinc/71/73/28/378717328.db2.gz VXYLVRDFKRMOHW-UHFFFAOYSA-N 0 0 277.389 3.146 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1[nH]ccc1C ZINC000282388387 379909221 /nfs/dbraw/zinc/90/92/21/379909221.db2.gz DHHJNCDKGWADRN-UHFFFAOYSA-N 0 0 286.375 3.471 20 10 CGCDRN CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)[C@@H](C)C1 ZINC000282441351 379919519 /nfs/dbraw/zinc/91/95/19/379919519.db2.gz UMAVDZZJHBWIAP-FZMZJTMJSA-N 0 0 283.799 3.353 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc[nH]1 ZINC000282371539 379906034 /nfs/dbraw/zinc/90/60/34/379906034.db2.gz CBDMTIVEWKFTFD-UHFFFAOYSA-N 0 0 272.348 3.163 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCCC(F)(F)C1 ZINC000283414826 380062056 /nfs/dbraw/zinc/06/20/56/380062056.db2.gz GFZBXHLPFLZGBK-LLVKDONJSA-N 0 0 298.333 3.017 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(F)cc1[O-] ZINC000286028757 380159100 /nfs/dbraw/zinc/15/91/00/380159100.db2.gz JAMYRQGJWGHUIN-OCCSQVGLSA-N 0 0 267.344 3.141 20 10 CGCDRN O=C(NCCc1ccc(Cl)s1)C1=CC(=O)CS1 ZINC000732272375 572456925 /nfs/dbraw/zinc/45/69/25/572456925.db2.gz RIWJZAJCEKMDLC-UHFFFAOYSA-N 0 0 287.793 3.141 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000367350931 382344955 /nfs/dbraw/zinc/34/49/55/382344955.db2.gz ZCCJCXXRFHKZMK-AWEZNQCLSA-N 0 0 287.334 3.015 20 10 CGCDRN COc1cccc(CNc2ccccc2OCCF)c1O ZINC000295072637 533520004 /nfs/dbraw/zinc/52/00/04/533520004.db2.gz HMVCNEWIXSXKMN-UHFFFAOYSA-N 0 0 291.322 3.361 20 10 CGCDRN CCc1ccccc1NC(=O)CN(C)Cc1ccccc1O ZINC000109773342 392372340 /nfs/dbraw/zinc/37/23/40/392372340.db2.gz AUPKILVFMHWRBA-UHFFFAOYSA-N 0 0 298.386 3.025 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287136914 392394249 /nfs/dbraw/zinc/39/42/49/392394249.db2.gz YZZQVPKNEZKZRV-WRWORJQWSA-N 0 0 278.179 3.121 20 10 CGCDRN Cc1cnc(NCc2ccc(N(C)C)cc2C)nc1C ZINC000301874298 392599342 /nfs/dbraw/zinc/59/93/42/392599342.db2.gz GFRJWJQQYAKZKJ-UHFFFAOYSA-N 0 0 270.380 3.080 20 10 CGCDRN CN(C)c1ccc(CNc2noc(C(C)(C)C)n2)cc1 ZINC000302027397 392607420 /nfs/dbraw/zinc/60/74/20/392607420.db2.gz AKCQKDUGYITZJG-UHFFFAOYSA-N 0 0 274.368 3.045 20 10 CGCDRN COc1cccc(CC[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000224547419 393010817 /nfs/dbraw/zinc/01/08/17/393010817.db2.gz WPXWYADTUCSAFH-UHFFFAOYSA-N 0 0 291.778 3.387 20 10 CGCDRN Cc1occc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348695625 393127301 /nfs/dbraw/zinc/12/73/01/393127301.db2.gz BDENWXSENALTLV-UHFFFAOYSA-N 0 0 282.343 3.318 20 10 CGCDRN CCCSCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348663842 393127679 /nfs/dbraw/zinc/12/76/79/393127679.db2.gz GEERNMJQVPFKHU-UHFFFAOYSA-N 0 0 290.432 3.246 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ncc(C)o1 ZINC000270843278 286389089 /nfs/dbraw/zinc/38/90/89/286389089.db2.gz GIGCPCRCJJINQN-UHFFFAOYSA-N 0 0 272.348 3.335 20 10 CGCDRN CC[C@@H]([NH2+]C[C@](C)(O)CC)c1cccc(Cl)c1[O-] ZINC000286860089 286913137 /nfs/dbraw/zinc/91/31/37/286913137.db2.gz AFFNEJJCTLUURR-TZMCWYRMSA-N 0 0 271.788 3.247 20 10 CGCDRN COc1ccc(OC)c(NCc2ccc(N(C)C)cc2)c1 ZINC000008701803 170347205 /nfs/dbraw/zinc/34/72/05/170347205.db2.gz QIUNSNOOWJBQGP-UHFFFAOYSA-N 0 0 286.375 3.382 20 10 CGCDRN C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000042869688 174896662 /nfs/dbraw/zinc/89/66/62/174896662.db2.gz LNGMIECVSOHXPH-RYUDHWBXSA-N 0 0 261.369 3.217 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1ccccn1 ZINC000352541557 227049708 /nfs/dbraw/zinc/04/97/08/227049708.db2.gz ZGTXYBBMTXWKKT-UHFFFAOYSA-N 0 0 251.333 3.494 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1ccccc1O ZINC000156057850 261113387 /nfs/dbraw/zinc/11/33/87/261113387.db2.gz NBLYQJJSUAIGST-FMKPAKJESA-N 0 0 263.381 3.391 20 10 CGCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000161418352 261246658 /nfs/dbraw/zinc/24/66/58/261246658.db2.gz ZOEHMRCCQZPLBW-KSSFIOAISA-N 0 0 294.398 3.216 20 10 CGCDRN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185501320 262056827 /nfs/dbraw/zinc/05/68/27/262056827.db2.gz NPPUOBAUXDUJSN-ZJUUUORDSA-N 0 0 292.354 3.418 20 10 CGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000185528920 262058773 /nfs/dbraw/zinc/05/87/73/262058773.db2.gz IMLNITYOIRYPQF-ZUZCIYMTSA-N 0 0 295.379 3.151 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1[O-] ZINC000185772216 262070040 /nfs/dbraw/zinc/07/00/40/262070040.db2.gz NZNVAKHPMVPCHW-HPGNRBDVSA-N 0 0 279.355 3.140 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cnn(CC(F)F)c2)c1 ZINC000186341541 262089328 /nfs/dbraw/zinc/08/93/28/262089328.db2.gz NZTQQVKNPWUZLP-JTQLQIEISA-N 0 0 281.306 3.335 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186170259 262312118 /nfs/dbraw/zinc/31/21/18/262312118.db2.gz HBFSOGWJYTYNDD-ZDUSSCGKSA-N 0 0 265.397 3.150 20 10 CGCDRN C[C@]1([NH2+]Cc2cccc(Cl)c2[O-])CCO[C@H]1C1CC1 ZINC000273199533 263013754 /nfs/dbraw/zinc/01/37/54/263013754.db2.gz RFNGALPDCVUUDN-GJZGRUSLSA-N 0 0 281.783 3.093 20 10 CGCDRN CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(F)cc1[O-] ZINC000291084967 263120073 /nfs/dbraw/zinc/12/00/73/263120073.db2.gz CHPNNHOEUPNDAZ-HOCLYGCPSA-N 0 0 281.371 3.387 20 10 CGCDRN CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000296111744 263186147 /nfs/dbraw/zinc/18/61/47/263186147.db2.gz ZMAVINWQIVFMSC-WDEREUQCSA-N 0 0 277.343 3.160 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000376831957 268022353 /nfs/dbraw/zinc/02/23/53/268022353.db2.gz LAVANBLCNHFEFW-LLVKDONJSA-N 0 0 251.757 3.278 20 10 CGCDRN C[C@@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)c2nccn21 ZINC000295346076 274393041 /nfs/dbraw/zinc/39/30/41/274393041.db2.gz YOHPSTHMGGHNIY-RHSMWYFYSA-N 0 0 296.418 3.279 20 10 CGCDRN CO[C@@](C)(C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000291278089 294076911 /nfs/dbraw/zinc/07/69/11/294076911.db2.gz RAZOWNSWRPRUCC-PSLIRLAXSA-N 0 0 285.334 3.136 20 10 CGCDRN COCc1noc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000179910116 327804049 /nfs/dbraw/zinc/80/40/49/327804049.db2.gz XMWAOFASOHRWOI-UHFFFAOYSA-N 0 0 299.421 3.262 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(F)c(F)c1[O-] ZINC000276937386 328220268 /nfs/dbraw/zinc/22/02/68/328220268.db2.gz PALSZWLCNARHHR-JTQLQIEISA-N 0 0 287.350 3.120 20 10 CGCDRN Cc1cn2c(n1)CN(Cc1c(O)ccc3ccccc31)CC2 ZINC000378621607 329056792 /nfs/dbraw/zinc/05/67/92/329056792.db2.gz LVZOAXRBBSSCHD-UHFFFAOYSA-N 0 0 293.370 3.066 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[C@@H]1C(C)C ZINC000471237682 331504493 /nfs/dbraw/zinc/50/44/93/331504493.db2.gz PBYYBXKDRBZHOC-CABCVRRESA-N 0 0 284.403 3.395 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccc1C)c1ncccc1C ZINC000492623234 332406507 /nfs/dbraw/zinc/40/65/07/332406507.db2.gz YRMFOJKNBTUYIV-FPLPWBNLSA-N 0 0 281.359 3.160 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCc2c1c(F)ccc2F ZINC000492901734 332417937 /nfs/dbraw/zinc/41/79/37/332417937.db2.gz RJSLKLCPEWLCMN-DAFODLJHSA-N 0 0 292.310 3.024 20 10 CGCDRN CCOc1ccc(O)c(CN2CC(OC(C)(C)CC)C2)c1 ZINC000529639308 333502577 /nfs/dbraw/zinc/50/25/77/333502577.db2.gz AVWBUNNCQSGTSJ-UHFFFAOYSA-N 0 0 293.407 3.180 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H](O)CC(F)(F)F)cc1 ZINC000277168936 519780251 /nfs/dbraw/zinc/78/02/51/519780251.db2.gz KPPFSVRJMVYVJU-LBPRGKRZSA-N 0 0 291.313 3.223 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]CCC[C@H](C)C(=O)[O-])cc1 ZINC000277217375 520906213 /nfs/dbraw/zinc/90/62/13/520906213.db2.gz HOPOYEYQGPQBSC-AWEZNQCLSA-N 0 0 292.423 3.123 20 10 CGCDRN CCC[C@@](C)(CC)C(=O)NCc1cccc(OC)c1O ZINC000279838511 520907362 /nfs/dbraw/zinc/90/73/62/520907362.db2.gz JLDDOAFJGNLDPT-MRXNPFEDSA-N 0 0 279.380 3.233 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1C=CCC1 ZINC000052851372 521318023 /nfs/dbraw/zinc/31/80/23/521318023.db2.gz WTYMVAWSLUBXOG-HNNXBMFYSA-N 0 0 286.419 3.457 20 10 CGCDRN CCOc1ccccc1NCc1cc2c(cc1O)OCO2 ZINC000042879123 521553454 /nfs/dbraw/zinc/55/34/54/521553454.db2.gz ALSVYYBIXCFZPV-UHFFFAOYSA-N 0 0 287.315 3.132 20 10 CGCDRN CCCc1noc(CN(CCC)Cc2ccccc2O)n1 ZINC000076074114 521583060 /nfs/dbraw/zinc/58/30/60/521583060.db2.gz IFKMKSANHVKSBK-UHFFFAOYSA-N 0 0 289.379 3.140 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccco1 ZINC000263762161 521688745 /nfs/dbraw/zinc/68/87/45/521688745.db2.gz ZCWZMKSSUHLUPL-UHFFFAOYSA-N 0 0 288.347 3.107 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccco1 ZINC000299642150 521690228 /nfs/dbraw/zinc/69/02/28/521690228.db2.gz MAVKJQUHOKNPEN-UHFFFAOYSA-N 0 0 259.305 3.038 20 10 CGCDRN COc1c([O-])c(C[NH2+]C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000278835952 521874791 /nfs/dbraw/zinc/87/47/91/521874791.db2.gz JGQJFOHCDYDDEJ-UHFFFAOYSA-N 0 0 294.351 3.121 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC(C)(C)C2CC2)cc1 ZINC000292891024 522189170 /nfs/dbraw/zinc/18/91/70/522189170.db2.gz WQXCLEBCHNUMHN-UHFFFAOYSA-N 0 0 274.408 3.195 20 10 CGCDRN CO[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278670625 523421450 /nfs/dbraw/zinc/42/14/50/523421450.db2.gz JDUNEJNWLLYTJI-JGVFFNPUSA-N 0 0 278.179 3.385 20 10 CGCDRN CO[C@H](C)c1nc(COc2ccc(N(C)C)cc2)cs1 ZINC000277721178 523916661 /nfs/dbraw/zinc/91/66/61/523916661.db2.gz GWRWNBCWUOZZKP-LLVKDONJSA-N 0 0 292.404 3.496 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000071406368 524072545 /nfs/dbraw/zinc/07/25/45/524072545.db2.gz RAMAZAXGYQHIOT-UHFFFAOYSA-N 0 0 287.359 3.008 20 10 CGCDRN C[C@H]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000056817892 524196241 /nfs/dbraw/zinc/19/62/41/524196241.db2.gz TTYIJCLECLRWJQ-KBPBESRZSA-N 0 0 290.407 3.360 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000056817891 524378088 /nfs/dbraw/zinc/37/80/88/524378088.db2.gz TTYIJCLECLRWJQ-KGLIPLIRSA-N 0 0 290.407 3.360 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](C2CC2)O1 ZINC000280472200 525005428 /nfs/dbraw/zinc/00/54/28/525005428.db2.gz CSZNIAHLOVGQJQ-QMTHXVAHSA-N 0 0 281.783 3.045 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2nccs2)cc1C ZINC000080584372 525311183 /nfs/dbraw/zinc/31/11/83/525311183.db2.gz DMMRFQPBFDLAIP-UHFFFAOYSA-N 0 0 262.378 3.098 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)cc1[O-] ZINC000062744988 525383563 /nfs/dbraw/zinc/38/35/63/525383563.db2.gz VNYZMEMQFCCXHV-FZMZJTMJSA-N 0 0 292.354 3.078 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000278652487 525469597 /nfs/dbraw/zinc/46/95/97/525469597.db2.gz IFJLSGPHFRURAY-DTWKUNHWSA-N 0 0 292.206 3.368 20 10 CGCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000189907029 525671619 /nfs/dbraw/zinc/67/16/19/525671619.db2.gz VMNMZJOCUCEPCT-OCCSQVGLSA-N 0 0 297.354 3.116 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)N(C)Cc1ccccc1 ZINC000072016360 526005960 /nfs/dbraw/zinc/00/59/60/526005960.db2.gz KSBRVBVPLZCFNR-LLVKDONJSA-N 0 0 292.429 3.282 20 10 CGCDRN Cc1oc(C(C)C)cc1C(=O)NCc1ccccc1O ZINC000286693966 526764597 /nfs/dbraw/zinc/76/45/97/526764597.db2.gz HAVXCLAYQOHFEG-UHFFFAOYSA-N 0 0 273.332 3.347 20 10 CGCDRN O=C(CSc1nccs1)NC1CCCCCC1 ZINC000047240908 527072678 /nfs/dbraw/zinc/07/26/78/527072678.db2.gz HNGFCCHAMWBSQC-UHFFFAOYSA-N 0 0 270.423 3.074 20 10 CGCDRN CCN(C(=O)/C=C/c1scnc1C)c1cccnc1C ZINC000493014751 535655547 /nfs/dbraw/zinc/65/55/47/535655547.db2.gz IORMHQDZGXGKGQ-BQYQJAHWSA-N 0 0 287.388 3.221 20 10 CGCDRN CN(C(=O)/C=C/c1cncs1)c1ccc2cc[nH]c2c1 ZINC000493196100 535938253 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/nfs/dbraw/zinc/43/02/44/572430244.db2.gz HYOWZHJLESWRHM-UHFFFAOYSA-N 0 0 298.367 3.134 20 10 CGCDRN C[C@H]1CCC[C@H](N(C)C(=O)C2=CC(=O)CS2)C1 ZINC000732268669 572456134 /nfs/dbraw/zinc/45/61/34/572456134.db2.gz JZVMJGOEQPULBU-UWVGGRQHSA-N 0 0 253.367 3.104 20 10 CGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1F ZINC000732285991 572458962 /nfs/dbraw/zinc/45/89/62/572458962.db2.gz LZNZROVSULGQFK-UHFFFAOYSA-N 0 0 251.282 3.154 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N2CCc3ccc(C)cc32)s1 ZINC000732734702 572480922 /nfs/dbraw/zinc/48/09/22/572480922.db2.gz CLENCGSWVOHROI-AATRIKPKSA-N 0 0 284.384 3.362 20 10 CGCDRN CCN(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000732922618 572492531 /nfs/dbraw/zinc/49/25/31/572492531.db2.gz ONLLVMACHQWVBY-UHFFFAOYSA-N 0 0 299.418 3.298 20 10 CGCDRN CN(C)c1ccc(CN(c2nccs2)C2CC2)cc1 ZINC000733188800 572540413 /nfs/dbraw/zinc/54/04/13/572540413.db2.gz ZGJXJQANBXPSOD-UHFFFAOYSA-N 0 0 273.405 3.378 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000733363622 572559457 /nfs/dbraw/zinc/55/94/57/572559457.db2.gz AGAXQQYCOZORGR-WCABBAIRSA-N 0 0 253.367 3.008 20 10 CGCDRN Cc1cc(-c2nc(CC3CC3)no2)c(C)n1-c1ccccn1 ZINC000743276939 572645982 /nfs/dbraw/zinc/64/59/82/572645982.db2.gz FJCCKOVDHNIEDQ-UHFFFAOYSA-N 0 0 294.358 3.492 20 10 CGCDRN O=C(NCCCSc1nccs1)NCC1CCCC1 ZINC000734360612 572651732 /nfs/dbraw/zinc/65/17/32/572651732.db2.gz VDFSFQMZNHNIIZ-UHFFFAOYSA-N 0 0 299.465 3.115 20 10 CGCDRN Cc1cc(N(C)Cc2ccc(N(C)C)cc2)nc(C2CC2)n1 ZINC000734835583 572689250 /nfs/dbraw/zinc/68/92/50/572689250.db2.gz ZXPKDTLKLKVINZ-UHFFFAOYSA-N 0 0 296.418 3.365 20 10 CGCDRN CC[C@@H](C)NC(=O)CN(CC(C)C)c1ccc(OC)cc1 ZINC000746170749 572858511 /nfs/dbraw/zinc/85/85/11/572858511.db2.gz BTFAJHNARAFHSY-CQSZACIVSA-N 0 0 292.423 3.072 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC12CCCC2 ZINC000747358203 572926785 /nfs/dbraw/zinc/92/67/85/572926785.db2.gz AHRAZIRLAVYAEO-KRWDZBQOSA-N 0 0 298.430 3.483 20 10 CGCDRN C[C@H](NCc1c(O)cccc1Cl)C(=O)OC1CCCC1 ZINC000748099326 572960177 /nfs/dbraw/zinc/96/01/77/572960177.db2.gz MIQBDCRKKRDAJK-JTQLQIEISA-N 0 0 297.782 3.010 20 10 CGCDRN O=C(Cc1coc2cc(F)ccc12)NCc1ccccc1O ZINC000748300574 572973088 /nfs/dbraw/zinc/97/30/88/572973088.db2.gz VRIGMCIMQCVDSV-UHFFFAOYSA-N 0 0 299.301 3.136 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000748460791 572978059 /nfs/dbraw/zinc/97/80/59/572978059.db2.gz QTKRGBWYGDUMQV-TZMCWYRMSA-N 0 0 276.380 3.160 20 10 CGCDRN Cc1c(C(=O)NCc2ccccc2O)cnc2ccccc12 ZINC000748847350 572986831 /nfs/dbraw/zinc/98/68/31/572986831.db2.gz ZLMJCCQYJHTPQW-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN Cc1[nH]ccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000749931941 573062595 /nfs/dbraw/zinc/06/25/95/573062595.db2.gz XPBZTQMAXXZHMY-UHFFFAOYSA-N 0 0 297.402 3.243 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NOCC(C)C ZINC000750220304 573102017 /nfs/dbraw/zinc/10/20/17/573102017.db2.gz GUVQUIBIQXRZOZ-UHFFFAOYSA-N 0 0 292.404 3.473 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)[O-])cc1C ZINC000833746816 605520091 /nfs/dbraw/zinc/52/00/91/605520091.db2.gz IYPOGNKRQAGSOY-WMLDXEAASA-N 0 0 291.391 3.132 20 10 CGCDRN C/C(=C/C(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000890757954 617814613 /nfs/dbraw/zinc/81/46/13/617814613.db2.gz OADNWFHWUBKPEI-CLFYSBASSA-N 0 0 265.740 3.018 20 10 CGCDRN Cc1cc(C(=O)OCC(F)(F)F)c(C)n1-c1ccccn1 ZINC000120091579 617613575 /nfs/dbraw/zinc/61/35/75/617613575.db2.gz HMEUFHOKUYHFRK-UHFFFAOYSA-N 0 0 298.264 3.208 20 10 CGCDRN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ncc[nH]1 ZINC000286052974 617622518 /nfs/dbraw/zinc/62/25/18/617622518.db2.gz LBWYNPDGFRIXLM-OAHLLOKOSA-N 0 0 298.434 3.497 20 10 CGCDRN CC[C@@H]([NH2+]CCc1ccn(C)n1)c1cccc(Cl)c1[O-] ZINC000806161274 617717077 /nfs/dbraw/zinc/71/70/77/617717077.db2.gz XQRDPKPCMFUHMD-CQSZACIVSA-N 0 0 293.798 3.063 20 10 CGCDRN CCc1oc(C(=O)NCc2cccc(Cl)c2O)cc1C ZINC000890759675 617815601 /nfs/dbraw/zinc/81/56/01/617815601.db2.gz GYJXMXXELOITAO-UHFFFAOYSA-N 0 0 293.750 3.439 20 10 CGCDRN CC(C)C[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890759403 617815755 /nfs/dbraw/zinc/81/57/55/617815755.db2.gz KVKKTVRGPAVVNK-JTQLQIEISA-N 0 0 269.772 3.344 20 10 CGCDRN CC(C)c1cc(C(=O)NCc2cccc(Cl)c2O)no1 ZINC000890760248 617817527 /nfs/dbraw/zinc/81/75/27/617817527.db2.gz LVERGIQITHXOOD-UHFFFAOYSA-N 0 0 294.738 3.087 20 10 CGCDRN CSc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000177659315 617986684 /nfs/dbraw/zinc/98/66/84/617986684.db2.gz RIRNIBBHGCLYSC-UHFFFAOYSA-N 0 0 289.356 3.380 20 10 CGCDRN CCC(C)(C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000069441518 618168737 /nfs/dbraw/zinc/16/87/37/618168737.db2.gz RIEKJRZRXWDHRU-UHFFFAOYSA-N 0 0 267.344 3.354 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121321920 618172153 /nfs/dbraw/zinc/17/21/53/618172153.db2.gz IWIZZIOXGAIRKL-ZDUSSCGKSA-N 0 0 294.826 3.106 20 10 CGCDRN C[C@H](NC(=O)NCC[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000924359992 618228947 /nfs/dbraw/zinc/22/89/47/618228947.db2.gz MMPQZCNTCAVBEM-LNSITVRQSA-N 0 0 288.391 3.189 20 10 CGCDRN CN1Cc2c(cccc2N[C@H]2CCc3cccc(O)c32)C1=O ZINC000840853216 618678631 /nfs/dbraw/zinc/67/86/31/618678631.db2.gz OOPFWWXSKCQONA-HNNXBMFYSA-N 0 0 294.354 3.077 20 10 CGCDRN CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000235151318 618700605 /nfs/dbraw/zinc/70/06/05/618700605.db2.gz JEVNPDXKMSBBSR-CHWSQXEVSA-N 0 0 279.409 3.065 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCC2(C)CC2)c1 ZINC000934941343 618714109 /nfs/dbraw/zinc/71/41/09/618714109.db2.gz WQJHTLCOISQKTM-NSHDSACASA-N 0 0 277.364 3.158 20 10 CGCDRN C/C=C/C=C/C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840558490 618719942 /nfs/dbraw/zinc/71/99/42/618719942.db2.gz YRDCFQQIVAODBA-RIGZMKRQSA-N 0 0 286.419 3.241 20 10 CGCDRN Oc1cccc(Cl)c1CNc1ccc2c(c1)OCO2 ZINC000147320222 618734355 /nfs/dbraw/zinc/73/43/55/618734355.db2.gz OSFPGVOXBUQPKI-UHFFFAOYSA-N 0 0 277.707 3.386 20 10 CGCDRN O=C1O[C@@H](CSc2ncc(Cl)s2)CC12CCC2 ZINC000850000399 618753762 /nfs/dbraw/zinc/75/37/62/618753762.db2.gz TXPJNHUVYUQQEQ-SSDOTTSWSA-N 0 0 289.809 3.374 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)c(O)c1O ZINC000179384689 618780374 /nfs/dbraw/zinc/78/03/74/618780374.db2.gz IQPWCOUBRGRWQH-UHFFFAOYSA-N 0 0 295.697 3.451 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180639976 619017892 /nfs/dbraw/zinc/01/78/92/619017892.db2.gz CYLJECVBQSBNSI-PKNBQFBNSA-N 0 0 283.327 3.164 20 10 CGCDRN Cc1cc(Br)c(O)c(CNc2ccon2)c1 ZINC000309901906 619059787 /nfs/dbraw/zinc/05/97/87/619059787.db2.gz IBZSVEUSXSBNPC-UHFFFAOYSA-N 0 0 283.125 3.063 20 10 CGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)nc1 ZINC000189279065 619091476 /nfs/dbraw/zinc/09/14/76/619091476.db2.gz UBVNJNDIVJYFEP-UHFFFAOYSA-N 0 0 287.382 3.309 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H]2CCCC23CCCCC3)cc1 ZINC000313051132 619162219 /nfs/dbraw/zinc/16/22/19/619162219.db2.gz PVDMYRGZYMSSSK-MRXNPFEDSA-N 0 0 286.419 3.431 20 10 CGCDRN CCOC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000313481706 619175521 /nfs/dbraw/zinc/17/55/21/619175521.db2.gz HTXBSBXADBDGJZ-GFCCVEGCSA-N 0 0 283.799 3.437 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C)c2C2CC2)cc1F ZINC000893464303 619184119 /nfs/dbraw/zinc/18/41/19/619184119.db2.gz KKHNOBYRJDLJKN-UHFFFAOYSA-N 0 0 289.354 3.082 20 10 CGCDRN COCC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000066995933 619267856 /nfs/dbraw/zinc/26/78/56/619267856.db2.gz WBAJEMWQVLWHBM-UHFFFAOYSA-N 0 0 278.179 3.214 20 10 CGCDRN O=[N+]([O-])c1ccc2nc(NCc3ccccc3O)ccc2c1 ZINC000318746216 619271724 /nfs/dbraw/zinc/27/17/24/619271724.db2.gz IYRJITMGFBASRX-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN CC(C)c1ccsc1C(=O)NCc1ccc(O)c(O)c1 ZINC000159029616 619442970 /nfs/dbraw/zinc/44/29/70/619442970.db2.gz HBNBHAIUVXWPQA-UHFFFAOYSA-N 0 0 291.372 3.213 20 10 CGCDRN COc1cccc(NNC(=S)Nc2ccc(F)cc2)c1 ZINC000018167653 619521344 /nfs/dbraw/zinc/52/13/44/619521344.db2.gz CMNHXOGMEICKKJ-UHFFFAOYSA-N 0 0 291.351 3.148 20 10 CGCDRN CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185418051 625357180 /nfs/dbraw/zinc/35/71/80/625357180.db2.gz VYULYWOTYBZQCU-GXTWGEPZSA-N 0 0 280.387 3.056 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000895392913 619820105 /nfs/dbraw/zinc/82/01/05/619820105.db2.gz VHTPZFLXGDWAFR-NEPJUHHUSA-N 0 0 285.359 3.140 20 10 CGCDRN CC(C)c1csc(CNC(=O)Nc2ccc(N)cc2)n1 ZINC000841298152 619833562 /nfs/dbraw/zinc/83/35/62/619833562.db2.gz MUCAWKKEFQWMJI-UHFFFAOYSA-N 0 0 290.392 3.170 20 10 CGCDRN CCN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000841299136 619835746 /nfs/dbraw/zinc/83/57/46/619835746.db2.gz HOKFLXVOOXMIQO-CQSZACIVSA-N 0 0 291.395 3.080 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(F)CC1 ZINC000895547280 619843885 /nfs/dbraw/zinc/84/38/85/619843885.db2.gz SLOZURWKPOOZQQ-UHFFFAOYSA-N 0 0 261.699 3.119 20 10 CGCDRN Oc1c(C[N@@H+]2CC[C@@H](CF)C2)ccc2ccccc21 ZINC000895572724 619851253 /nfs/dbraw/zinc/85/12/53/619851253.db2.gz KOFJYUCKSFJQRO-LBPRGKRZSA-N 0 0 259.324 3.337 20 10 CGCDRN CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896644474 620040706 /nfs/dbraw/zinc/04/07/06/620040706.db2.gz WPLGVUGZGRURNF-PXAZEXFGSA-N 0 0 289.350 3.397 20 10 CGCDRN C[C@@H](Cc1ccsc1)[NH2+]Cc1c([O-])cccc1F ZINC000896636597 620040942 /nfs/dbraw/zinc/04/09/42/620040942.db2.gz GOQDDTKTDZZCDB-JTQLQIEISA-N 0 0 265.353 3.314 20 10 CGCDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896837754 620074668 /nfs/dbraw/zinc/07/46/68/620074668.db2.gz JHMFAWYURFDJOD-DTWKUNHWSA-N 0 0 291.372 3.183 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC2(CC2)C1)c1ccccc1O ZINC000897762526 620424342 /nfs/dbraw/zinc/42/43/42/620424342.db2.gz PVVVJOKXUVEFMG-CHWSQXEVSA-N 0 0 288.391 3.475 20 10 CGCDRN CCC(=O)N1CCc2ccc(NCc3ccccc3O)cc21 ZINC000897770891 620426178 /nfs/dbraw/zinc/42/61/78/620426178.db2.gz WFSXDFNHLZIZQB-UHFFFAOYSA-N 0 0 296.370 3.303 20 10 CGCDRN C[C@]12CSC[C@H]1C[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000898422048 620586222 /nfs/dbraw/zinc/58/62/22/620586222.db2.gz GTMNRWWKPZQTSW-RISCZKNCSA-N 0 0 283.824 3.231 20 10 CGCDRN CC(C)(F)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898725192 620603196 /nfs/dbraw/zinc/60/31/96/620603196.db2.gz NLHOFZIBTLJAEZ-UHFFFAOYSA-N 0 0 297.351 3.181 20 10 CGCDRN O=C(CCCCc1ccccc1)NCc1ccc(O)c(O)c1 ZINC000901132172 620836210 /nfs/dbraw/zinc/83/62/10/620836210.db2.gz RUCDYSZKWGPKDH-UHFFFAOYSA-N 0 0 299.370 3.127 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@]23C[C@H]2CCC3)C2CC2)cc1 ZINC000901949361 621074936 /nfs/dbraw/zinc/07/49/36/621074936.db2.gz ULUXPVSUVSZJKM-DNVCBOLYSA-N 0 0 298.430 3.434 20 10 CGCDRN C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000903297557 621664892 /nfs/dbraw/zinc/66/48/92/621664892.db2.gz QGVHZQQRAVHARS-MEBBXXQBSA-N 0 0 299.361 3.262 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(Cl)c1[O-] ZINC000903286720 621669865 /nfs/dbraw/zinc/66/98/65/621669865.db2.gz NBDNAQPZYQUZPL-KJODXLCESA-N 0 0 293.794 3.262 20 10 CGCDRN Cc1ccccc1NCc1cc2c(cc1O)OCO2 ZINC000042879370 621886326 /nfs/dbraw/zinc/88/63/26/621886326.db2.gz USYROELUEUJSKR-UHFFFAOYSA-N 0 0 257.289 3.041 20 10 CGCDRN CC1(c2nsc(NCc3cc(F)cc(F)c3O)n2)CC1 ZINC000905417887 622070888 /nfs/dbraw/zinc/07/08/88/622070888.db2.gz XWJNCLSHCNZXJR-UHFFFAOYSA-N 0 0 297.330 3.186 20 10 CGCDRN CN(C)c1ccc(CNc2nnc(C3CCCC3)o2)cc1 ZINC000905426541 622073637 /nfs/dbraw/zinc/07/36/37/622073637.db2.gz ATQUKYKJBKDTAK-UHFFFAOYSA-N 0 0 286.379 3.405 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C2CC2)CCC1 ZINC000906713725 622258160 /nfs/dbraw/zinc/25/81/60/622258160.db2.gz GFXBMOVVDWGZLV-UHFFFAOYSA-N 0 0 286.419 3.258 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000149591416 622346090 /nfs/dbraw/zinc/34/60/90/622346090.db2.gz DFBZKSNSPBGYHP-GXSJLCMTSA-N 0 0 255.358 3.078 20 10 CGCDRN CCOc1ccc(N(C)Cc2nnc(C(C)(C)C)o2)cc1 ZINC000150731836 622658298 /nfs/dbraw/zinc/65/82/98/622658298.db2.gz GHOMBKFCTVOUGF-UHFFFAOYSA-N 0 0 289.379 3.402 20 10 CGCDRN CCCCc1nc(CN(C)c2ccc(OCC)cc2)no1 ZINC000150734474 622659711 /nfs/dbraw/zinc/65/97/11/622659711.db2.gz NWIPAZPGVSIIBN-UHFFFAOYSA-N 0 0 289.379 3.447 20 10 CGCDRN c1csc(SCCc2ccc3c(c2)CCO3)n1 ZINC000150918936 622696692 /nfs/dbraw/zinc/69/66/92/622696692.db2.gz ZTQALUIUIBCGGV-UHFFFAOYSA-N 0 0 263.387 3.413 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000075408004 622920334 /nfs/dbraw/zinc/92/03/34/622920334.db2.gz KWBHAWGWSSWHDR-UHFFFAOYSA-N 0 0 289.404 3.444 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000225875345 622933794 /nfs/dbraw/zinc/93/37/94/622933794.db2.gz VRDGRQIMFPLSJV-LBPRGKRZSA-N 0 0 272.396 3.222 20 10 CGCDRN CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000226610379 622987034 /nfs/dbraw/zinc/98/70/34/622987034.db2.gz ZFIOSFNQIVTECY-CHWSQXEVSA-N 0 0 269.385 3.295 20 10 CGCDRN Cc1ccccc1NC(=S)NCc1ncccc1F ZINC000170297306 623078006 /nfs/dbraw/zinc/07/80/06/623078006.db2.gz JFSHLNGDTZRPAF-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CCN(CC)c1ccc(CNc2nccc(C)n2)cc1 ZINC000172408763 623248996 /nfs/dbraw/zinc/24/89/96/623248996.db2.gz OXANFZRQUSEKMA-UHFFFAOYSA-N 0 0 270.380 3.243 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)[nH]c1C ZINC000914830861 623863149 /nfs/dbraw/zinc/86/31/49/623863149.db2.gz DAFORQHFISYHRL-UHFFFAOYSA-N 0 0 299.418 3.360 20 10 CGCDRN CCCn1cc(N[C@H](C)c2ccc(F)cc2O)cn1 ZINC000186339827 625791256 /nfs/dbraw/zinc/79/12/56/625791256.db2.gz ZAIMYXZEQIBGMF-SNVBAGLBSA-N 0 0 263.316 3.311 20 10 CGCDRN O=C(OCC1CCC(F)(F)CC1)C1=CC(=O)CS1 ZINC000837515390 624026339 /nfs/dbraw/zinc/02/63/39/624026339.db2.gz SIYGOMYFGIPQEX-UHFFFAOYSA-N 0 0 276.304 3.436 20 10 CGCDRN CC[C@H](C)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000915879089 624051294 /nfs/dbraw/zinc/05/12/94/624051294.db2.gz MFMGIEYDVLVHIH-AWEZNQCLSA-N 0 0 291.439 3.473 20 10 CGCDRN Cc1cc(C(=O)NCCCF)c(C)n1-c1ccccc1C ZINC000153935172 624140926 /nfs/dbraw/zinc/14/09/26/624140926.db2.gz OKBGKBBRWXSIGS-UHFFFAOYSA-N 0 0 288.366 3.492 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnc(C)s1 ZINC000920085535 624446438 /nfs/dbraw/zinc/44/64/38/624446438.db2.gz QLLPNDVBJJACEU-UHFFFAOYSA-N 0 0 274.389 3.413 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1cccc(F)c1 ZINC000175503245 624641955 /nfs/dbraw/zinc/64/19/55/624641955.db2.gz QTCCZIJUSHYSQA-LBPRGKRZSA-N 0 0 287.334 3.293 20 10 CGCDRN CC1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180971663 624796713 /nfs/dbraw/zinc/79/67/13/624796713.db2.gz VLNBBVXXUPUYMU-VQHVLOKHSA-N 0 0 289.375 3.054 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H](C)C1 ZINC000070115893 624957212 /nfs/dbraw/zinc/95/72/12/624957212.db2.gz GBJFZADWKANKPJ-JTNHKYCSSA-N 0 0 261.369 3.215 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H](CC(C)C)C2)c(O)c1O ZINC000182605301 625021953 /nfs/dbraw/zinc/02/19/53/625021953.db2.gz MFHTZUDAOKWAEA-CYBMUJFWSA-N 0 0 291.391 3.305 20 10 CGCDRN Oc1ccccc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183209105 625050989 /nfs/dbraw/zinc/05/09/89/625050989.db2.gz GTQDIXLDMCKYPE-INIZCTEOSA-N 0 0 287.334 3.185 20 10 CGCDRN CCc1onc(C)c1NCc1cc(F)cc(F)c1O ZINC000922132748 625972006 /nfs/dbraw/zinc/97/20/06/625972006.db2.gz UFBZGQINZDBIDY-UHFFFAOYSA-N 0 0 268.263 3.141 20 10 CGCDRN Oc1ccc(Cl)cc1CN[C@@H](c1ncccn1)C1CC1 ZINC000922578946 626015145 /nfs/dbraw/zinc/01/51/45/626015145.db2.gz FYDFNEZVVPVQQP-CQSZACIVSA-N 0 0 289.766 3.077 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@]12C[C@H]1CCC2 ZINC000923022971 626119650 /nfs/dbraw/zinc/11/96/50/626119650.db2.gz DUJPDARUKCHWQE-AMIZOPFISA-N 0 0 255.720 3.217 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccnc1 ZINC000124678375 634480095 /nfs/dbraw/zinc/48/00/95/634480095.db2.gz OXDFHIFPRWBHOP-JTQLQIEISA-N 0 0 262.740 3.291 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCSC1)c1cc(F)cc(F)c1[O-] ZINC000756636550 626156387 /nfs/dbraw/zinc/15/63/87/626156387.db2.gz FCSKCZXYTRNMOW-WPRPVWTQSA-N 0 0 273.348 3.217 20 10 CGCDRN O[C@@H](CSc1nccs1)c1ccc(F)cc1 ZINC000788098629 626204920 /nfs/dbraw/zinc/20/49/20/626204920.db2.gz BOSLTJKCZCYOAL-JTQLQIEISA-N 0 0 255.339 3.108 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[C@H]2C)cc1 ZINC000804967515 626367091 /nfs/dbraw/zinc/36/70/91/626367091.db2.gz WGSSYDOYKHKRRR-CJNGLKHVSA-N 0 0 289.423 3.131 20 10 CGCDRN CCCN(CC(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873978456 634500425 /nfs/dbraw/zinc/50/04/25/634500425.db2.gz GLQPOBNYKFIFNA-UHFFFAOYSA-N 0 0 290.367 3.357 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(CCC(F)(F)F)CC1CC1 ZINC000752823772 626440666 /nfs/dbraw/zinc/44/06/66/626440666.db2.gz BULTWMZBZRDDNJ-UHFFFAOYSA-N 0 0 293.310 3.258 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CC1 ZINC000753019194 626443718 /nfs/dbraw/zinc/44/37/18/626443718.db2.gz GCMPTBOACQFDEA-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN CCc1cnc(CN2CCc3cc(OC)ccc32)s1 ZINC000753527656 626453994 /nfs/dbraw/zinc/45/39/94/626453994.db2.gz PHFYCOICUAFVLC-UHFFFAOYSA-N 0 0 274.389 3.277 20 10 CGCDRN C[C@H]1CC/C(=C/C(=O)NCCCSc2nccs2)C1 ZINC000753605330 626458356 /nfs/dbraw/zinc/45/83/56/626458356.db2.gz HTRJDSXOEHMATF-NIANNCQZSA-N 0 0 296.461 3.488 20 10 CGCDRN CCN(CC[C@@H]1CCCCO1)c1ccc(OC)cc1 ZINC000754060460 626473986 /nfs/dbraw/zinc/47/39/86/626473986.db2.gz OJYYSOZZAFUDJR-INIZCTEOSA-N 0 0 263.381 3.481 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C/c1ccc(C)nc1 ZINC000754149130 626560920 /nfs/dbraw/zinc/56/09/20/626560920.db2.gz KOVPDZHKKPEGBF-ZHACJKMWSA-N 0 0 282.343 3.075 20 10 CGCDRN CSc1cc(O)ccc1NC(=O)C1=CC(=O)CS1 ZINC000754483634 626573191 /nfs/dbraw/zinc/57/31/91/626573191.db2.gz NHHJSBNFUQQOKQ-UHFFFAOYSA-N 0 0 281.358 3.134 20 10 CGCDRN COC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756342114 626694176 /nfs/dbraw/zinc/69/41/76/626694176.db2.gz MZKOYTBIUXTUKZ-YUMQZZPRSA-N 0 0 278.179 3.385 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC(=O)[O-])C(C)C)cc1 ZINC000756363130 626696276 /nfs/dbraw/zinc/69/62/76/626696276.db2.gz STQRAGGGZLDBFU-INIZCTEOSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756363296 626696778 /nfs/dbraw/zinc/69/67/78/626696778.db2.gz PZDIBZZSWMCAIG-LLVKDONJSA-N 0 0 298.377 3.195 20 10 CGCDRN CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756454839 626706792 /nfs/dbraw/zinc/70/67/92/626706792.db2.gz ONRWXHXGFLLYDZ-SDDRHHMPSA-N 0 0 279.380 3.264 20 10 CGCDRN Cc1occc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756483758 626708839 /nfs/dbraw/zinc/70/88/39/626708839.db2.gz XJWTUJAZKKDADY-QMMMGPOBSA-N 0 0 267.275 3.423 20 10 CGCDRN C[C@@H]([NH2+]CCc1nccs1)c1cc(F)cc(F)c1[O-] ZINC000756507770 626710662 /nfs/dbraw/zinc/71/06/62/626710662.db2.gz FEYIUILPGNYGFJ-MRVPVSSYSA-N 0 0 284.331 3.020 20 10 CGCDRN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756635618 626722460 /nfs/dbraw/zinc/72/24/60/626722460.db2.gz RXCYTAFSHBIDJU-IWPPJYEWSA-N 0 0 285.334 3.015 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756678747 626726343 /nfs/dbraw/zinc/72/63/43/626726343.db2.gz YFYKOLBZGCRCEX-MXWKQRLJSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000756710157 626727156 /nfs/dbraw/zinc/72/71/56/626727156.db2.gz BKGVQSFKRBRBFJ-BONVTDFDSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756734559 626728881 /nfs/dbraw/zinc/72/88/81/626728881.db2.gz XADAJJIKTHFKBB-ZUZCIYMTSA-N 0 0 299.361 3.262 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000756766718 626730207 /nfs/dbraw/zinc/73/02/07/626730207.db2.gz BPFHAPFLYHYVQN-NEPJUHHUSA-N 0 0 279.380 3.264 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000756769815 626730668 /nfs/dbraw/zinc/73/06/68/626730668.db2.gz NXAIBOIVUJBQGB-ZJUUUORDSA-N 0 0 264.325 3.140 20 10 CGCDRN CC(C)c1nnc([C@H](C)N[C@@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756776770 626731445 /nfs/dbraw/zinc/73/14/45/626731445.db2.gz DDGCOQYLBSNDFQ-UWVGGRQHSA-N 0 0 292.358 3.185 20 10 CGCDRN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000756782570 626731994 /nfs/dbraw/zinc/73/19/94/626731994.db2.gz CIOCBCBXXGACBB-HQJQHLMTSA-N 0 0 297.704 3.010 20 10 CGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(F)c2)c1 ZINC000756795153 626733157 /nfs/dbraw/zinc/73/31/57/626733157.db2.gz IKPUPFJGTJXAPO-JTQLQIEISA-N 0 0 289.306 3.491 20 10 CGCDRN C[C@H](Nc1cnn(-c2ccccn2)c1)c1ccc(F)cc1O ZINC000756856027 626737785 /nfs/dbraw/zinc/73/77/85/626737785.db2.gz IYGJKCOOOMJWGT-NSHDSACASA-N 0 0 298.321 3.285 20 10 CGCDRN CC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)C2 ZINC000839633886 626768993 /nfs/dbraw/zinc/76/89/93/626768993.db2.gz XQYMTRDHVBRXPZ-UHFFFAOYSA-N 0 0 294.398 3.471 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000839729926 626783474 /nfs/dbraw/zinc/78/34/74/626783474.db2.gz XAWAJEDUTYANSX-CQSZACIVSA-N 0 0 297.402 3.255 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cccc3c2OCO3)c1 ZINC000757656474 626797401 /nfs/dbraw/zinc/79/74/01/626797401.db2.gz AKMWWQIYRJCQBH-JTQLQIEISA-N 0 0 287.315 3.303 20 10 CGCDRN CCOC(=O)CCCN(C)c1ccc(OC)c(Cl)c1 ZINC000757858142 626810838 /nfs/dbraw/zinc/81/08/38/626810838.db2.gz XURFLBXUSMSTLT-UHFFFAOYSA-N 0 0 285.771 3.128 20 10 CGCDRN O=C(OCc1ccc(Cl)s1)c1cccc(O)c1O ZINC000758545820 626848916 /nfs/dbraw/zinc/84/89/16/626848916.db2.gz DKUYGUVOSTXYMN-UHFFFAOYSA-N 0 0 284.720 3.170 20 10 CGCDRN CC(C)(C)c1cnc(SCC(=O)Nc2ccon2)s1 ZINC000759720159 626917914 /nfs/dbraw/zinc/91/79/14/626917914.db2.gz XCPYQJDOGQRPTK-UHFFFAOYSA-N 0 0 297.405 3.159 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1=CCCC1 ZINC000760462100 626972302 /nfs/dbraw/zinc/97/23/02/626972302.db2.gz KMVADZPIPOZVPY-UHFFFAOYSA-N 0 0 284.403 3.403 20 10 CGCDRN CCCC1(C(=O)NCCCSc2nccs2)CC1 ZINC000760584478 626979941 /nfs/dbraw/zinc/97/99/41/626979941.db2.gz FLONJLKFIQIKHJ-UHFFFAOYSA-N 0 0 284.450 3.322 20 10 CGCDRN CC[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000760812991 626992909 /nfs/dbraw/zinc/99/29/09/626992909.db2.gz RKDDAKVNPFFQSD-LLVKDONJSA-N 0 0 289.297 3.109 20 10 CGCDRN CC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1C ZINC000760890412 627000612 /nfs/dbraw/zinc/00/06/12/627000612.db2.gz URVDVLQMYIABPR-UHFFFAOYSA-N 0 0 275.329 3.217 20 10 CGCDRN CC[C@H]([NH2+][C@H](CCO)C(C)C)c1cccc(Cl)c1[O-] ZINC000806142489 627006548 /nfs/dbraw/zinc/00/65/48/627006548.db2.gz OYMBKPRHMJBPMK-UONOGXRCSA-N 0 0 285.815 3.493 20 10 CGCDRN Cc1ccnc(-c2noc(CSc3nccs3)n2)c1 ZINC000761600607 627053025 /nfs/dbraw/zinc/05/30/25/627053025.db2.gz VAOGXVHMIYQCKW-UHFFFAOYSA-N 0 0 290.373 3.189 20 10 CGCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)CC(C)(C)C ZINC000762274613 627104280 /nfs/dbraw/zinc/10/42/80/627104280.db2.gz JMFNDAGHBSHZEC-LBPRGKRZSA-N 0 0 293.407 3.219 20 10 CGCDRN Cc1c[nH]nc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000763788335 627177522 /nfs/dbraw/zinc/17/75/22/627177522.db2.gz LMEIAOTYJYVOMZ-UHFFFAOYSA-N 0 0 294.358 3.378 20 10 CGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC3CC3)sc2n1 ZINC000763902240 627183936 /nfs/dbraw/zinc/18/39/36/627183936.db2.gz HARGVLIOWXBAPZ-UHFFFAOYSA-N 0 0 276.361 3.062 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2cc(C)no2)cc1 ZINC000764821665 627226977 /nfs/dbraw/zinc/22/69/77/627226977.db2.gz COESKAFVRFKPBZ-UHFFFAOYSA-N 0 0 287.407 3.461 20 10 CGCDRN C[C@H](NC(=O)c1ccoc1Cl)c1ccc(N(C)C)cc1 ZINC000764885940 627231524 /nfs/dbraw/zinc/23/15/24/627231524.db2.gz NWLFKXDKMZEDOO-JTQLQIEISA-N 0 0 292.766 3.490 20 10 CGCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)c2ccccc2O1 ZINC000765652683 627265399 /nfs/dbraw/zinc/26/53/99/627265399.db2.gz WOKAFRSULSPRIQ-LLVKDONJSA-N 0 0 273.307 3.319 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000765813789 627273071 /nfs/dbraw/zinc/27/30/71/627273071.db2.gz FHUYOIDNAPFGBH-ONENECBXSA-N 0 0 297.345 3.279 20 10 CGCDRN CC(C)n1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000766095943 627295662 /nfs/dbraw/zinc/29/56/62/627295662.db2.gz SOELNETWQMRDNP-CQSZACIVSA-N 0 0 286.423 3.381 20 10 CGCDRN CCOCCCN1CCCCc2cc(OC)ccc21 ZINC000766267963 627309156 /nfs/dbraw/zinc/30/91/56/627309156.db2.gz DJYLEEXUOWMDMB-UHFFFAOYSA-N 0 0 263.381 3.265 20 10 CGCDRN CN(C)c1ccc(CNc2nc3ccc(F)cc3n2C)cc1 ZINC000766519275 627340448 /nfs/dbraw/zinc/34/04/48/627340448.db2.gz FDPFUXFARZAWGF-UHFFFAOYSA-N 0 0 298.365 3.391 20 10 CGCDRN Cc1cc(Cl)ncc1NC(=O)C1=CC(=O)CS1 ZINC000768294893 627472673 /nfs/dbraw/zinc/47/26/73/627472673.db2.gz HRRRGEIDCCXTLA-UHFFFAOYSA-N 0 0 268.725 3.063 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000768334378 627473272 /nfs/dbraw/zinc/47/32/72/627473272.db2.gz GOHYSFIASCUOJL-UHFFFAOYSA-N 0 0 286.759 3.432 20 10 CGCDRN CCOC(=O)CN(Cc1cc(Cl)ccc1O)CC(C)C ZINC000768761502 627496933 /nfs/dbraw/zinc/49/69/33/627496933.db2.gz DTHHGNAHANGIFF-UHFFFAOYSA-N 0 0 299.798 3.067 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCC2CC2)c1 ZINC000769416572 627550499 /nfs/dbraw/zinc/55/04/99/627550499.db2.gz CAGXWCOQXZRACH-VXGBXAGGSA-N 0 0 291.391 3.408 20 10 CGCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769515123 627561888 /nfs/dbraw/zinc/56/18/88/627561888.db2.gz OFMNEUZCXYXPGX-LLVKDONJSA-N 0 0 251.757 3.278 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccccc1OC ZINC000772600814 627805713 /nfs/dbraw/zinc/80/57/13/627805713.db2.gz ZUAILLZQQGVQKS-UHFFFAOYSA-N 0 0 269.344 3.267 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773373153 627876007 /nfs/dbraw/zinc/87/60/07/627876007.db2.gz ZICAWZFEQZDEJK-CHWSQXEVSA-N 0 0 289.423 3.159 20 10 CGCDRN C/C(=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)(C)C ZINC000773762827 627912765 /nfs/dbraw/zinc/91/27/65/627912765.db2.gz LDUBDKKWUXNVHS-OBIHZWKSSA-N 0 0 291.391 3.137 20 10 CGCDRN CCc1csc(NCc2cccc(OC)c2O)n1 ZINC000774525076 628001602 /nfs/dbraw/zinc/00/16/02/628001602.db2.gz XUFZLVHWEAWSBY-UHFFFAOYSA-N 0 0 264.350 3.032 20 10 CGCDRN COc1c(O)c(CNc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774915154 628049223 /nfs/dbraw/zinc/04/92/23/628049223.db2.gz SCLICMNEFDJFTK-UHFFFAOYSA-N 0 0 292.266 3.060 20 10 CGCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775175358 628068718 /nfs/dbraw/zinc/06/87/18/628068718.db2.gz HTRVLXUPQBRYLW-HNNXBMFYSA-N 0 0 283.799 3.173 20 10 CGCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000775177048 628068810 /nfs/dbraw/zinc/06/88/10/628068810.db2.gz OJEXZJLWQJHPSE-OAHLLOKOSA-N 0 0 283.799 3.173 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2cc[nH]c21 ZINC000775289086 628078827 /nfs/dbraw/zinc/07/88/27/628078827.db2.gz QDIHYSOKILFYDI-ALCCZGGFSA-N 0 0 294.310 3.231 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H](C)O1 ZINC000775661204 628120949 /nfs/dbraw/zinc/12/09/49/628120949.db2.gz KORPMWPBXGMIHP-SMDDNHRTSA-N 0 0 283.799 3.353 20 10 CGCDRN CCC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000775708866 628128186 /nfs/dbraw/zinc/12/81/86/628128186.db2.gz PFPJUFZYFJACRW-CQSZACIVSA-N 0 0 283.799 3.355 20 10 CGCDRN CO[C@H](C)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC000775713579 628128492 /nfs/dbraw/zinc/12/84/92/628128492.db2.gz JTGBQAMXCKVRSW-SNVBAGLBSA-N 0 0 289.778 3.430 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000775735961 628131460 /nfs/dbraw/zinc/13/14/60/628131460.db2.gz HLMGTZQIYQRHSO-YGRLFVJLSA-N 0 0 299.773 3.186 20 10 CGCDRN CC(C)(C)OCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776118860 628170373 /nfs/dbraw/zinc/17/03/73/628170373.db2.gz XJSFEAKLGCARCX-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(F)c1 ZINC000776248268 628183986 /nfs/dbraw/zinc/18/39/86/628183986.db2.gz KZUUUQNZWZJAPQ-UHFFFAOYSA-N 0 0 295.741 3.483 20 10 CGCDRN COc1cc(F)cc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000776252775 628184450 /nfs/dbraw/zinc/18/44/50/628184450.db2.gz PPEHWKHJCDAQNX-UHFFFAOYSA-N 0 0 295.741 3.483 20 10 CGCDRN COc1cccc(CN2C[C@H](C)Oc3ccc(C)cc32)c1O ZINC000776524856 628217028 /nfs/dbraw/zinc/21/70/28/628217028.db2.gz JMCHFEGMLKYGAZ-ZDUSSCGKSA-N 0 0 299.370 3.497 20 10 CGCDRN O=C(OCc1ccc(CF)cc1)C1=CC(=O)CS1 ZINC000777079257 628248647 /nfs/dbraw/zinc/24/86/47/628248647.db2.gz ONRYGVZXFRMDEJ-UHFFFAOYSA-N 0 0 266.293 3.280 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777439772 628270358 /nfs/dbraw/zinc/27/03/58/628270358.db2.gz LXIFWDVASFNWOL-OAHLLOKOSA-N 0 0 295.810 3.437 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)CC(C)(C)C ZINC000778925304 628378793 /nfs/dbraw/zinc/37/87/93/628378793.db2.gz JQLSVYUGYVVDHX-NSHDSACASA-N 0 0 279.380 3.176 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2c(F)ccc(F)c2C1 ZINC000779025366 628384018 /nfs/dbraw/zinc/38/40/18/628384018.db2.gz MYUVWJLHPUEQHW-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN Oc1ccc(F)cc1CN1CCc2ccc(F)c(F)c2C1 ZINC000779033816 628385041 /nfs/dbraw/zinc/38/50/41/628385041.db2.gz OKJWFNSPHARUIY-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN Oc1ccccc1CN1Cc2ccccc2C(F)(F)C1 ZINC000779031929 628385070 /nfs/dbraw/zinc/38/50/70/628385070.db2.gz CHBXGYHBJIYLTE-UHFFFAOYSA-N 0 0 275.298 3.500 20 10 CGCDRN Cc1c(NCc2ccccc2O)cccc1N(C)C ZINC000779047147 628385486 /nfs/dbraw/zinc/38/54/86/628385486.db2.gz WILIATPPIGVGMI-UHFFFAOYSA-N 0 0 256.349 3.379 20 10 CGCDRN COCC1(C)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000779606111 628417860 /nfs/dbraw/zinc/41/78/60/628417860.db2.gz KRYBTESDESESDS-UHFFFAOYSA-N 0 0 283.799 3.294 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(O)c1)c1ccc(C)cc1 ZINC000779653112 628419664 /nfs/dbraw/zinc/41/96/64/628419664.db2.gz RJHLEPPXEKOUKX-TWGQIWQCSA-N 0 0 282.343 3.162 20 10 CGCDRN CC/C(C)=C(/C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000779881417 628439964 /nfs/dbraw/zinc/43/99/64/628439964.db2.gz JGHNSTYTBAYMAK-QXMHVHEDSA-N 0 0 278.371 3.254 20 10 CGCDRN Cc1cc(C(=O)O[C@H]2C=CCC2)c(C)n1-c1ccccn1 ZINC000780564046 628501112 /nfs/dbraw/zinc/50/11/12/628501112.db2.gz WWBUEMOPCKXMLT-AWEZNQCLSA-N 0 0 282.343 3.365 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000781903360 628604124 /nfs/dbraw/zinc/60/41/24/628604124.db2.gz ZUMIRABOYSZDLY-SECBINFHSA-N 0 0 284.197 3.305 20 10 CGCDRN C[C@@H]1C[C@@H](COc2ccc(N3CCCC3)cc2)CCO1 ZINC000783040560 628674296 /nfs/dbraw/zinc/67/42/96/628674296.db2.gz UANBXJTWHIUKGS-CABCVRRESA-N 0 0 275.392 3.481 20 10 CGCDRN C[C@@H](Nc1cccc(N2CCOCC2)c1)c1ccccc1O ZINC000783526213 628721863 /nfs/dbraw/zinc/72/18/63/628721863.db2.gz SZAOBMDPLYIFPF-CQSZACIVSA-N 0 0 298.386 3.402 20 10 CGCDRN COc1ccc(O)c(CNc2cnc3c(c2)CCCC3)c1 ZINC000783598034 628730603 /nfs/dbraw/zinc/73/06/03/628730603.db2.gz QNFLOWDHXURCSX-UHFFFAOYSA-N 0 0 284.359 3.287 20 10 CGCDRN Cc1cc(C=C2SC(=S)NC2=O)cc2cccnc12 ZINC000783695768 628740708 /nfs/dbraw/zinc/74/07/08/628740708.db2.gz BDIXQEDVLZLJEL-XFFZJAGNSA-N 0 0 286.381 3.032 20 10 CGCDRN O=C(NCc1ccccc1O)C1(Cc2ccccc2F)CC1 ZINC000785409662 628860093 /nfs/dbraw/zinc/86/00/93/628860093.db2.gz HLCFMQGEGOLYRD-UHFFFAOYSA-N 0 0 299.345 3.170 20 10 CGCDRN CCN(CCCSCCOC)c1ccc(OC)cc1 ZINC000785736704 628883010 /nfs/dbraw/zinc/88/30/10/628883010.db2.gz WZHONJUSHBTDNS-UHFFFAOYSA-N 0 0 283.437 3.291 20 10 CGCDRN Cc1ccc(O)c(CN[C@@H](C(C)C)C(F)(F)F)c1 ZINC000786840869 628967085 /nfs/dbraw/zinc/96/70/85/628967085.db2.gz NNKRMWYDXZIRKZ-LBPRGKRZSA-N 0 0 261.287 3.377 20 10 CGCDRN CC(C)C(NC(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000875399006 634697113 /nfs/dbraw/zinc/69/71/13/634697113.db2.gz SLQYLYSWZPVINU-UHFFFAOYSA-N 0 0 276.380 3.098 20 10 CGCDRN COCCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788526659 629062790 /nfs/dbraw/zinc/06/27/90/629062790.db2.gz KHRMPLGCWUWNTG-JTQLQIEISA-N 0 0 291.313 3.488 20 10 CGCDRN C=C/C(C)=C\CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000788626346 629070366 /nfs/dbraw/zinc/07/03/66/629070366.db2.gz MGUSBFNVIGBPNO-AUWJEWJLSA-N 0 0 272.392 3.233 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)C2CCCCC2)cc1OC ZINC000789311389 629123492 /nfs/dbraw/zinc/12/34/92/629123492.db2.gz KTCXRWSFRNZMPH-HNNXBMFYSA-N 0 0 293.407 3.081 20 10 CGCDRN Cc1cccc(CN2CCOc3cc(F)ccc32)c1O ZINC000789566805 629145908 /nfs/dbraw/zinc/14/59/08/629145908.db2.gz OAMANSQXWZRAMB-UHFFFAOYSA-N 0 0 273.307 3.239 20 10 CGCDRN CN(C)c1ccc(C[NH2+][C@@H](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000789904237 629173608 /nfs/dbraw/zinc/17/36/08/629173608.db2.gz SRGZQUPURLWGCB-AWEZNQCLSA-N 0 0 292.423 3.122 20 10 CGCDRN CC1(C)Cc2cccc(NC(=O)C3=CC(=O)CS3)c2O1 ZINC000789919717 629174122 /nfs/dbraw/zinc/17/41/22/629174122.db2.gz WKABKYNERXIAIJ-UHFFFAOYSA-N 0 0 289.356 3.420 20 10 CGCDRN CCC[C@@]1(C)CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000789985689 629177482 /nfs/dbraw/zinc/17/74/82/629177482.db2.gz HULCDLWZZSRRBF-INIZCTEOSA-N 0 0 295.354 3.279 20 10 CGCDRN Cc1ccn(-c2ccc(NCc3ccccc3O)cc2)n1 ZINC000790652586 629222895 /nfs/dbraw/zinc/22/28/95/629222895.db2.gz KKSYIEGSLODVEF-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)c2ccccc21 ZINC000790876853 629238970 /nfs/dbraw/zinc/23/89/70/629238970.db2.gz KTMBTUODNMHVKI-UHFFFAOYSA-N 0 0 283.327 3.036 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(O)cc1 ZINC000790955583 629242532 /nfs/dbraw/zinc/24/25/32/629242532.db2.gz UNWOIQGBBQKTDO-UHFFFAOYSA-N 0 0 281.714 3.180 20 10 CGCDRN CC1(C)C[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790959201 629243494 /nfs/dbraw/zinc/24/34/94/629243494.db2.gz XBSDYPHEVVTHKC-MRVPVSSYSA-N 0 0 257.736 3.320 20 10 CGCDRN CCCC[C@H](COC)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790968094 629244470 /nfs/dbraw/zinc/24/44/70/629244470.db2.gz KDZPIIQIDZRTOS-SNVBAGLBSA-N 0 0 289.778 3.480 20 10 CGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000790988781 629246974 /nfs/dbraw/zinc/24/69/74/629246974.db2.gz AQPNSQCJKMTZCI-VHSXEESVSA-N 0 0 287.762 3.089 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875713333 634726032 /nfs/dbraw/zinc/72/60/32/634726032.db2.gz FFBSAKDSPNJQJO-NSHDSACASA-N 0 0 276.380 3.242 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ccn2)c(OC)c1 ZINC000792260905 629352629 /nfs/dbraw/zinc/35/26/29/629352629.db2.gz QBMOPNWFDOWXKD-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN Cc1cc(Cl)cc(Cn2cnc3c2CCCC3)c1O ZINC000862431972 629371488 /nfs/dbraw/zinc/37/14/88/629371488.db2.gz YEEBKAIGNLORFX-UHFFFAOYSA-N 0 0 276.767 3.478 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2CCCCCF ZINC000792872780 629389508 /nfs/dbraw/zinc/38/95/08/629389508.db2.gz QGYKTCBHZSITSM-UHFFFAOYSA-N 0 0 266.360 3.091 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862754834 629428970 /nfs/dbraw/zinc/42/89/70/629428970.db2.gz LCYGXAOSOIGZLY-TZMCWYRMSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000862755713 629429808 /nfs/dbraw/zinc/42/98/08/629429808.db2.gz KBHDLAHBNPBJTR-MORSLUCNSA-N 0 0 295.382 3.367 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CC2CC(C)(C)C2)c1 ZINC000862756331 629429953 /nfs/dbraw/zinc/42/99/53/629429953.db2.gz VXQSXFNWWKCCPV-UHFFFAOYSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1oc(C(C)C)nc1C(=O)NCc1cc(C)ccc1O ZINC000862756228 629430011 /nfs/dbraw/zinc/43/00/11/629430011.db2.gz UGLVGUPPDZUSEI-UHFFFAOYSA-N 0 0 288.347 3.050 20 10 CGCDRN CCc1ccc(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862759856 629430604 /nfs/dbraw/zinc/43/06/04/629430604.db2.gz MHMMQPJFHCGIQT-UHFFFAOYSA-N 0 0 275.373 3.255 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CC[C@@H](C)C2)c1 ZINC000862758287 629430656 /nfs/dbraw/zinc/43/06/56/629430656.db2.gz VVMGAZOIPNWXLL-DGCLKSJQSA-N 0 0 261.365 3.143 20 10 CGCDRN COc1cc(Cl)cc(CNC(C)(C)C(F)F)c1O ZINC000793255122 629436076 /nfs/dbraw/zinc/43/60/76/629436076.db2.gz QJXDWQHVPKZDDF-UHFFFAOYSA-N 0 0 279.714 3.188 20 10 CGCDRN COc1cccc(O)c1C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000793357079 629447104 /nfs/dbraw/zinc/44/71/04/629447104.db2.gz LUDPFPNVPDYUJU-GFCCVEGCSA-N 0 0 263.381 3.411 20 10 CGCDRN O=C(NCc1ccccc1O)c1coc2cc(F)ccc12 ZINC000793680744 629495527 /nfs/dbraw/zinc/49/55/27/629495527.db2.gz KAIHFNSUHACELT-UHFFFAOYSA-N 0 0 285.274 3.208 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2CCCC(C)(C)C2)c(O)c1 ZINC000794387014 629538668 /nfs/dbraw/zinc/53/86/68/629538668.db2.gz CFQKRYUQJYKYHM-GFCCVEGCSA-N 0 0 291.391 3.233 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cccc(Cl)c1[O-] ZINC000863544809 629604149 /nfs/dbraw/zinc/60/41/49/629604149.db2.gz BQRJYRHBCVYKNF-SUNKGSAMSA-N 0 0 282.815 3.227 20 10 CGCDRN COc1ccc(CNc2cccc(C)c2[N+](=O)[O-])c(O)c1 ZINC000795284309 629656112 /nfs/dbraw/zinc/65/61/12/629656112.db2.gz KGFFGZDZCBFIAQ-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN COc1ccc(CNc2nccc3occc32)c(O)c1 ZINC000795291773 629657177 /nfs/dbraw/zinc/65/71/77/629657177.db2.gz BRQJDUKMJLOCFQ-UHFFFAOYSA-N 0 0 270.288 3.154 20 10 CGCDRN COc1ccc(CNc2cc(C(F)(F)F)ccn2)c(O)c1 ZINC000795286093 629657351 /nfs/dbraw/zinc/65/73/51/629657351.db2.gz ZVGJACPAGMIXBR-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN C[C@H](Nc1cccc(-n2nccn2)c1)c1ccc(F)cc1O ZINC000864024123 629731357 /nfs/dbraw/zinc/73/13/57/629731357.db2.gz VIJWXDNXPQXWFU-NSHDSACASA-N 0 0 298.321 3.285 20 10 CGCDRN COc1cccc(CNc2ccc3oc(CO)cc3c2)c1O ZINC000864041526 629734405 /nfs/dbraw/zinc/73/44/05/629734405.db2.gz OHHANOYLACJKNN-UHFFFAOYSA-N 0 0 299.326 3.251 20 10 CGCDRN CC[C@@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])N1CCCC1 ZINC000796695191 629815842 /nfs/dbraw/zinc/81/58/42/629815842.db2.gz MPUAFVZLXAUGEM-HOCLYGCPSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000796696085 629815932 /nfs/dbraw/zinc/81/59/32/629815932.db2.gz RXKZHPIVPRFXDB-CZUORRHYSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000796762375 629828700 /nfs/dbraw/zinc/82/87/00/629828700.db2.gz OXHGFWDODFFVKD-GDBMZVCRSA-N 0 0 292.398 3.056 20 10 CGCDRN CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796777412 629832052 /nfs/dbraw/zinc/83/20/52/629832052.db2.gz GCXVNZTUXVXQHU-CYBMUJFWSA-N 0 0 297.370 3.304 20 10 CGCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796782111 629832852 /nfs/dbraw/zinc/83/28/52/629832852.db2.gz OYHLNSAGEWTNMR-KYOSRNDESA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]CCCOC(F)F)c1ccc(F)cc1[O-] ZINC000796988064 629869222 /nfs/dbraw/zinc/86/92/22/629869222.db2.gz AXPBJRJERCQNIS-LLVKDONJSA-N 0 0 277.286 3.201 20 10 CGCDRN CC1(C)CC[C@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864641158 629883131 /nfs/dbraw/zinc/88/31/31/629883131.db2.gz SXRNQCIPWREKDR-AWEZNQCLSA-N 0 0 286.379 3.191 20 10 CGCDRN CCC[C@@H](NC(=O)NCc1ccccc1O)C(C)(C)C ZINC000836576271 634780527 /nfs/dbraw/zinc/78/05/27/634780527.db2.gz NTWBNCFPZQKHNG-CQSZACIVSA-N 0 0 278.396 3.406 20 10 CGCDRN Cc1cc(C(=O)NCCF)c(C)n1-c1ccccc1C ZINC000798061106 630018482 /nfs/dbraw/zinc/01/84/82/630018482.db2.gz UEFXJLSQANGXIB-UHFFFAOYSA-N 0 0 274.339 3.102 20 10 CGCDRN CN1C(=O)/C(=C\c2cn(C3CC3)cn2)c2cc(Cl)ccc21 ZINC000865222706 630029303 /nfs/dbraw/zinc/02/93/03/630029303.db2.gz AJNHEYFVOGMQRL-AUWJEWJLSA-N 0 0 299.761 3.388 20 10 CGCDRN Cc1ccc2c(c1)/C(=C\c1cn(C3CC3)cn1)C(=O)N2C ZINC000865223546 630029634 /nfs/dbraw/zinc/02/96/34/630029634.db2.gz JRMJYMKCGUIBGV-OVCLIPMQSA-N 0 0 279.343 3.043 20 10 CGCDRN COc1ccc(N(CC[C@@H](C)O)Cc2ccccc2)cc1 ZINC000798198265 630033878 /nfs/dbraw/zinc/03/38/78/630033878.db2.gz XVDDCROQRMEJJO-OAHLLOKOSA-N 0 0 285.387 3.473 20 10 CGCDRN COC(=O)[C@H](Sc1nccs1)c1ccsc1 ZINC000798369225 630048846 /nfs/dbraw/zinc/04/88/46/630048846.db2.gz TWXQDAAXYVKOQW-MRVPVSSYSA-N 0 0 271.388 3.211 20 10 CGCDRN C[C@H]1C[C@@H]1c1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000865296301 630058666 /nfs/dbraw/zinc/05/86/66/630058666.db2.gz UXQSFIACGCTOJG-ONGXEEELSA-N 0 0 290.342 3.010 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C)c1C ZINC000798935121 630126869 /nfs/dbraw/zinc/12/68/69/630126869.db2.gz LMCRXQXRSVGHFC-UHFFFAOYSA-N 0 0 299.418 3.062 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798963740 630130386 /nfs/dbraw/zinc/13/03/86/630130386.db2.gz IWDKXHCDPSAKEG-GFCCVEGCSA-N 0 0 288.778 3.430 20 10 CGCDRN CCCC[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000799923666 630244172 /nfs/dbraw/zinc/24/41/72/630244172.db2.gz UACUNJDVPRLIEG-LBPRGKRZSA-N 0 0 280.387 3.334 20 10 CGCDRN COc1ccc(N(C)CCOCC(C)C)cc1Cl ZINC000800351765 630267810 /nfs/dbraw/zinc/26/78/10/630267810.db2.gz ZDXBGZQSABYTON-UHFFFAOYSA-N 0 0 271.788 3.457 20 10 CGCDRN COc1ccc(CNC(=O)C2=CCC(C)(C)CC2)c(O)c1 ZINC000836785601 634801637 /nfs/dbraw/zinc/80/16/37/634801637.db2.gz RCLZGBVKDQKESO-UHFFFAOYSA-N 0 0 289.375 3.154 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccoc1 ZINC000839915632 630295034 /nfs/dbraw/zinc/29/50/34/630295034.db2.gz ISKKAFISRAUREZ-CYBMUJFWSA-N 0 0 286.375 3.015 20 10 CGCDRN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921661 630297488 /nfs/dbraw/zinc/29/74/88/630297488.db2.gz INZMLUAIRYSXKD-JJRVBVJISA-N 0 0 288.435 3.154 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1nccs1 ZINC000801549013 630343059 /nfs/dbraw/zinc/34/30/59/630343059.db2.gz AUZFQBHTQHFOAT-UHFFFAOYSA-N 0 0 290.388 3.291 20 10 CGCDRN C[C@@H](Nc1nc2cnccc2n1C)c1ccc(N(C)C)cc1 ZINC000865685379 630360605 /nfs/dbraw/zinc/36/06/05/630360605.db2.gz ZNXSHZQWWLAVBW-GFCCVEGCSA-N 0 0 295.390 3.207 20 10 CGCDRN Cc1ccnc2ccc(C(=O)NCc3ccccc3O)cc12 ZINC000802776980 630410396 /nfs/dbraw/zinc/41/03/96/630410396.db2.gz CYDSXXGBDLALHI-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN CCc1[nH]ccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000803120692 630448687 /nfs/dbraw/zinc/44/86/87/630448687.db2.gz JPXRQKPEAKVAEN-GFCCVEGCSA-N 0 0 285.391 3.134 20 10 CGCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCCC2(F)F)c1 ZINC000806179800 630553670 /nfs/dbraw/zinc/55/36/70/630553670.db2.gz HRIXJNNGMTVIAW-NOZJJQNGSA-N 0 0 299.317 3.017 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C2CC2)c1 ZINC000806794392 630576187 /nfs/dbraw/zinc/57/61/87/630576187.db2.gz YVXVPOGZVXQJLD-JTQLQIEISA-N 0 0 277.364 3.014 20 10 CGCDRN CC(C)(C(=O)NCCCSc1nccs1)C1CC1 ZINC000806851384 630577233 /nfs/dbraw/zinc/57/72/33/630577233.db2.gz PYWUCJCWTPPPHO-UHFFFAOYSA-N 0 0 284.450 3.178 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCSC1 ZINC000808430529 630644131 /nfs/dbraw/zinc/64/41/31/630644131.db2.gz QSZRWTPVKJKCQR-SECBINFHSA-N 0 0 289.803 3.418 20 10 CGCDRN CN(C)c1ccc(CNC2(C(F)F)CCCC2)cc1 ZINC000808452137 630646229 /nfs/dbraw/zinc/64/62/29/630646229.db2.gz ZHLMALXGDCWRAE-UHFFFAOYSA-N 0 0 268.351 3.420 20 10 CGCDRN Cc1cc(Cl)cc([C@@H](C)NCc2cocn2)c1O ZINC000808711269 630669248 /nfs/dbraw/zinc/66/92/48/630669248.db2.gz ZPZFDERMLMOOEO-SECBINFHSA-N 0 0 266.728 3.193 20 10 CGCDRN CC(C)N(C)C[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000810173175 630849627 /nfs/dbraw/zinc/84/96/27/630849627.db2.gz YIVTWIYLZHFZNS-SNVBAGLBSA-N 0 0 288.794 3.003 20 10 CGCDRN Oc1ccc(CCNc2nccc3ccc(F)cc32)cc1O ZINC000811811158 631121778 /nfs/dbraw/zinc/12/17/78/631121778.db2.gz NMKBNMRAYOWDKB-UHFFFAOYSA-N 0 0 298.317 3.440 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(F)cc1[O-] ZINC000812738603 631300218 /nfs/dbraw/zinc/30/02/18/631300218.db2.gz XKKBEHSWVSYDRY-LLVKDONJSA-N 0 0 299.349 3.269 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000876514537 634850045 /nfs/dbraw/zinc/85/00/45/634850045.db2.gz XTDHYDKQAINMEM-CYBMUJFWSA-N 0 0 278.302 3.336 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000876527628 634850698 /nfs/dbraw/zinc/85/06/98/634850698.db2.gz CKGHWBSSXXWVQB-ZBFHGGJFSA-N 0 0 274.408 3.144 20 10 CGCDRN c1csc(SCCN2CCc3ccccc32)n1 ZINC000813570634 631436168 /nfs/dbraw/zinc/43/61/68/631436168.db2.gz RPPRHTRUDHLPST-UHFFFAOYSA-N 0 0 262.403 3.298 20 10 CGCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815573803 631798392 /nfs/dbraw/zinc/79/83/92/631798392.db2.gz UNYDXJXWNPNVLT-ZJUUUORDSA-N 0 0 291.313 3.487 20 10 CGCDRN CC(F)(F)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000815796549 631825152 /nfs/dbraw/zinc/82/51/52/631825152.db2.gz ATYGOJKXRWTMBF-UHFFFAOYSA-N 0 0 295.285 3.169 20 10 CGCDRN CC1(C)C[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549113 632008285 /nfs/dbraw/zinc/00/82/85/632008285.db2.gz FAORPXVLBWHWQJ-SECBINFHSA-N 0 0 257.736 3.320 20 10 CGCDRN CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816566756 632014902 /nfs/dbraw/zinc/01/49/02/632014902.db2.gz FMTBIIFBANIETA-NSHDSACASA-N 0 0 287.762 3.186 20 10 CGCDRN CCc1nnc(CNCc2ccc3ccccc3c2O)s1 ZINC000816616397 632024296 /nfs/dbraw/zinc/02/42/96/632024296.db2.gz VTTDINPGCFCNIL-UHFFFAOYSA-N 0 0 299.399 3.249 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CF ZINC000817126951 632086902 /nfs/dbraw/zinc/08/69/02/632086902.db2.gz SEPXCOUOMUSBTC-VIFPVBQESA-N 0 0 280.368 3.243 20 10 CGCDRN CCCc1[nH]ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817515720 632180172 /nfs/dbraw/zinc/18/01/72/632180172.db2.gz NAWYCMCMVIEROT-UHFFFAOYSA-N 0 0 299.418 3.305 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CN)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965848 632259933 /nfs/dbraw/zinc/25/99/33/632259933.db2.gz DDGBMLSRWINZSH-GMSGAONNSA-N 0 0 277.195 3.087 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000818358268 632314384 /nfs/dbraw/zinc/31/43/84/632314384.db2.gz DUXAZVAZKCPWLB-SDNRWEOFSA-N 0 0 253.292 3.120 20 10 CGCDRN Cc1c(C(=O)Nc2ccc(N)cc2)cnn1CCC(C)C ZINC000818556324 632334149 /nfs/dbraw/zinc/33/41/49/632334149.db2.gz LYFCPPJEHQUHJZ-UHFFFAOYSA-N 0 0 286.379 3.072 20 10 CGCDRN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631546 632343815 /nfs/dbraw/zinc/34/38/15/632343815.db2.gz IXOGQOBYRJOQMK-RNCFNFMXSA-N 0 0 297.782 3.039 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000819021175 632365951 /nfs/dbraw/zinc/36/59/51/632365951.db2.gz MTYJDPYOGKTDFV-CJNGLKHVSA-N 0 0 274.408 3.195 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(F)=C1CCC1 ZINC000819100074 632378382 /nfs/dbraw/zinc/37/83/82/632378382.db2.gz DNAAOARTXZMXCG-UHFFFAOYSA-N 0 0 288.366 3.311 20 10 CGCDRN COc1ccccc1NC[C@@H](O)CCc1ccccc1 ZINC000819394357 632448440 /nfs/dbraw/zinc/44/84/40/632448440.db2.gz ZUHXKIZJKYODNI-HNNXBMFYSA-N 0 0 271.360 3.101 20 10 CGCDRN CC(C)OCC[C@@H](O)CNc1ccccc1OCC1CC1 ZINC000819453136 632462069 /nfs/dbraw/zinc/46/20/69/632462069.db2.gz YOFRAOGZTVFVSM-OAHLLOKOSA-N 0 0 293.407 3.063 20 10 CGCDRN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC000820023645 632562213 /nfs/dbraw/zinc/56/22/13/632562213.db2.gz SAQOSPGICJCZFR-JTQLQIEISA-N 0 0 290.367 3.261 20 10 CGCDRN O=C(OCC[C@H]1CC1(Cl)Cl)C1=CC(=O)CS1 ZINC000820363252 632611372 /nfs/dbraw/zinc/61/13/72/632611372.db2.gz OFEKMCKXMDDQSQ-LURJTMIESA-N 0 0 281.160 3.194 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC(C)=C(C)C)c1 ZINC000821064691 632720846 /nfs/dbraw/zinc/72/08/46/632720846.db2.gz FYTPWZJCXIJGMH-LBPRGKRZSA-N 0 0 277.364 3.324 20 10 CGCDRN CCC[C@H](CC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000821065635 632721285 /nfs/dbraw/zinc/72/12/85/632721285.db2.gz QHBUOPZGSPCTHY-NEPJUHHUSA-N 0 0 279.380 3.404 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1C=CCC1 ZINC000821085951 632724311 /nfs/dbraw/zinc/72/43/11/632724311.db2.gz LNJBTKQQJDCJGN-AWEZNQCLSA-N 0 0 274.364 3.032 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000822226887 632886745 /nfs/dbraw/zinc/88/67/45/632886745.db2.gz LOXRITHPOWDLBZ-GDBMZVCRSA-N 0 0 274.408 3.051 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@]12C[C@H]1CCCC2 ZINC000865782984 632888908 /nfs/dbraw/zinc/88/89/08/632888908.db2.gz JJIBFNCZFZQUKQ-BXUZGUMPSA-N 0 0 296.461 3.322 20 10 CGCDRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)C1=CC(=O)CS1 ZINC000822484835 632942562 /nfs/dbraw/zinc/94/25/62/632942562.db2.gz ATYWPBJBRRDINL-WDEREUQCSA-N 0 0 265.378 3.152 20 10 CGCDRN C[C@H]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822670953 633002789 /nfs/dbraw/zinc/00/27/89/633002789.db2.gz BRYMZLPQLDCDHW-JQWIXIFHSA-N 0 0 288.351 3.015 20 10 CGCDRN C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822862655 633031383 /nfs/dbraw/zinc/03/13/83/633031383.db2.gz JVRYWNSNACNHCC-PXAZEXFGSA-N 0 0 292.398 3.334 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C2CCC2)cc1F ZINC000822863502 633031841 /nfs/dbraw/zinc/03/18/41/633031841.db2.gz PPQCQEZQLFIBRY-UHFFFAOYSA-N 0 0 292.398 3.334 20 10 CGCDRN CC(C)c1nccc(N[C@H](C)c2ccccc2O)n1 ZINC000866236996 633039818 /nfs/dbraw/zinc/03/98/18/633039818.db2.gz GQUYWJLDHRWUHV-LLVKDONJSA-N 0 0 257.337 3.479 20 10 CGCDRN CCc1cc(N[C@@H](C)c2ccccc2O)nc(C)n1 ZINC000866239627 633040087 /nfs/dbraw/zinc/04/00/87/633040087.db2.gz WFROVYYQSHANCP-JTQLQIEISA-N 0 0 257.337 3.226 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@H](SC)C1)c1ccc(F)cc1[O-] ZINC000866488269 633157334 /nfs/dbraw/zinc/15/73/34/633157334.db2.gz LXDODKSKHKAJRG-GVXVVHGQSA-N 0 0 269.385 3.466 20 10 CGCDRN CCCc1ccc(C(=O)NCc2ccc(O)c(O)c2)s1 ZINC000866768812 633241571 /nfs/dbraw/zinc/24/15/71/633241571.db2.gz FRRAJDJKLDVMLN-UHFFFAOYSA-N 0 0 291.372 3.042 20 10 CGCDRN COc1ccc(N(C)Cc2csc([N+](=O)[O-])c2)cc1F ZINC000121807576 633266892 /nfs/dbraw/zinc/26/68/92/633266892.db2.gz MOJOJTGWARYQRJ-UHFFFAOYSA-N 0 0 296.323 3.440 20 10 CGCDRN Cc1cc(O)c(CNc2cccc([S@](C)=O)c2)cc1C ZINC000121851870 633270767 /nfs/dbraw/zinc/27/07/67/633270767.db2.gz BSOWCJXSJARIGT-HXUWFJFHSA-N 0 0 289.400 3.359 20 10 CGCDRN CS[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824683789 633272963 /nfs/dbraw/zinc/27/29/63/633272963.db2.gz WJVHXDYAPJLVQJ-MRVPVSSYSA-N 0 0 275.776 3.122 20 10 CGCDRN Cc1ccsc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868150853 633299447 /nfs/dbraw/zinc/29/94/47/633299447.db2.gz NLZYISYIIFMQCM-NSHDSACASA-N 0 0 290.388 3.323 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1C[C@H]1c1ccccc1)c1ccccc1O ZINC000868143895 633299496 /nfs/dbraw/zinc/29/94/96/633299496.db2.gz ZQFQJZXWSYUGHR-RCBQFDQVSA-N 0 0 296.370 3.309 20 10 CGCDRN CS[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868321032 633314029 /nfs/dbraw/zinc/31/40/29/633314029.db2.gz NPMNMMMTTIGOOQ-QJPTWQEYSA-N 0 0 294.420 3.037 20 10 CGCDRN C[C@H](NC(=O)NCCCC(F)(F)F)c1ccccc1O ZINC000868325165 633314681 /nfs/dbraw/zinc/31/46/81/633314681.db2.gz TXJVMISPUSZSIU-VIFPVBQESA-N 0 0 290.285 3.095 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000825129740 633330603 /nfs/dbraw/zinc/33/06/03/633330603.db2.gz CJFQJIHIYFXOFZ-SECBINFHSA-N 0 0 297.761 3.252 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000825145326 633332181 /nfs/dbraw/zinc/33/21/81/633332181.db2.gz ZNKVNGSXZCCCSV-SNVBAGLBSA-N 0 0 287.762 3.091 20 10 CGCDRN CC(C)(O)C(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825202308 633335898 /nfs/dbraw/zinc/33/58/98/633335898.db2.gz QQGLBNUJGIVNFP-UHFFFAOYSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000868565847 633336644 /nfs/dbraw/zinc/33/66/44/633336644.db2.gz DFEHFQSUFXOHGU-FRRDWIJNSA-N 0 0 276.380 3.189 20 10 CGCDRN CCC(C)(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000825225291 633337466 /nfs/dbraw/zinc/33/74/66/633337466.db2.gz ALQUDQZGMOKZEN-UHFFFAOYSA-N 0 0 290.367 3.405 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000825249481 633339190 /nfs/dbraw/zinc/33/91/90/633339190.db2.gz IXCXQXSBMVFPTB-ONGXEEELSA-N 0 0 269.747 3.320 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccnn1CC1CC1 ZINC000825461395 633356076 /nfs/dbraw/zinc/35/60/76/633356076.db2.gz IATCYGQYQZSRQH-UHFFFAOYSA-N 0 0 297.402 3.255 20 10 CGCDRN CCc1cccc2c1N(C(=O)/C=C(\C)c1cnccn1)CC2 ZINC000825511408 633359180 /nfs/dbraw/zinc/35/91/80/633359180.db2.gz SLJZDNPQBLEVCW-ACCUITESSA-N 0 0 293.370 3.032 20 10 CGCDRN C[C@H](NC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000868814023 633366135 /nfs/dbraw/zinc/36/61/35/633366135.db2.gz ODJYDIOVAOWMLB-JRATXPSKSA-N 0 0 288.391 3.189 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C)CC1CCC1)c1ccccc1O ZINC000868983745 633387658 /nfs/dbraw/zinc/38/76/58/633387658.db2.gz INHITQAIYBCWDV-NWDGAFQWSA-N 0 0 276.380 3.331 20 10 CGCDRN COCC1(C2CCC2)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000827011703 633448350 /nfs/dbraw/zinc/44/83/50/633448350.db2.gz MJFGLCRRNAGZRZ-UHFFFAOYSA-N 0 0 295.810 3.294 20 10 CGCDRN CC(C)(C)OCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000827168961 633466452 /nfs/dbraw/zinc/46/64/52/633466452.db2.gz AUHCCPHMVYWBRH-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1(F)F ZINC000827250908 633475397 /nfs/dbraw/zinc/47/53/97/633475397.db2.gz CFHIXHJWYCEFQA-LLVKDONJSA-N 0 0 279.689 3.320 20 10 CGCDRN CN(C)c1ccc(CNc2ncc(C(F)F)cn2)cc1 ZINC000827316578 633480668 /nfs/dbraw/zinc/48/06/68/633480668.db2.gz FFSIFFFBMDHPPD-UHFFFAOYSA-N 0 0 278.306 3.092 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1=CCCC1 ZINC000827545261 633497481 /nfs/dbraw/zinc/49/74/81/633497481.db2.gz YHQYJPDKPBVLGC-UHFFFAOYSA-N 0 0 255.720 3.385 20 10 CGCDRN CN(C)c1ccc(/C=C\C[N@H+](C)CC2=CCSC2)cc1 ZINC000827812340 633520600 /nfs/dbraw/zinc/52/06/00/633520600.db2.gz JUNCBXQESZXDJO-PLNGDYQASA-N 0 0 288.460 3.371 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(C)CCCCC2)cc1 ZINC000122842894 633523535 /nfs/dbraw/zinc/52/35/35/633523535.db2.gz ZPEJAGQASQZFGK-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN CC(C)CCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000122907972 633528547 /nfs/dbraw/zinc/52/85/47/633528547.db2.gz QRXQRUJNPNDUEY-UHFFFAOYSA-N 0 0 293.407 3.363 20 10 CGCDRN C[C@@H](NC(=O)/C=C1/CC[C@H](C)C1)c1ccccc1O ZINC000827937115 633536856 /nfs/dbraw/zinc/53/68/56/633536856.db2.gz LEZJVIOVMKVUBK-QVMLAVDMSA-N 0 0 259.349 3.316 20 10 CGCDRN CCOCCC1(C(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000827940838 633537227 /nfs/dbraw/zinc/53/72/27/633537227.db2.gz JDRYGZUZRGBOIB-CYBMUJFWSA-N 0 0 291.391 3.166 20 10 CGCDRN CC[C@H]1C[C@@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827940820 633537518 /nfs/dbraw/zinc/53/75/18/633537518.db2.gz IUZUEJDHLSJGDL-RDBSUJKOSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccccc1O ZINC000827940361 633537586 /nfs/dbraw/zinc/53/75/86/633537586.db2.gz BYIWVELCIDWLMJ-YPMHNXCESA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)CCCC1CCOCC1)c1ccccc1O ZINC000827946342 633537929 /nfs/dbraw/zinc/53/79/29/633537929.db2.gz DXVKRDFXOCKYLI-CYBMUJFWSA-N 0 0 291.391 3.166 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCc2ccccc2C1)c1ccccc1O ZINC000827952516 633539856 /nfs/dbraw/zinc/53/98/56/633539856.db2.gz WETMJGVQDULHAW-CZUORRHYSA-N 0 0 295.382 3.375 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccccc1O ZINC000827957052 633540233 /nfs/dbraw/zinc/54/02/33/633540233.db2.gz RNYUWMXLJXGPPV-PHTTXTFCSA-N 0 0 293.366 3.155 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000827963958 633541364 /nfs/dbraw/zinc/54/13/64/633541364.db2.gz FIRMAPWRQSRSRH-VHSXEESVSA-N 0 0 269.291 3.005 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1O ZINC000827969016 633542107 /nfs/dbraw/zinc/54/21/07/633542107.db2.gz FZVOYQFBFBQWKK-RYUDHWBXSA-N 0 0 261.365 3.396 20 10 CGCDRN CCCCSCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827973201 633542688 /nfs/dbraw/zinc/54/26/88/633542688.db2.gz KIHBUSTVNSRORL-LBPRGKRZSA-N 0 0 281.421 3.493 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1O ZINC000827969498 633542711 /nfs/dbraw/zinc/54/27/11/633542711.db2.gz NNMFLEJBKGCKJC-STQMWFEESA-N 0 0 259.349 3.316 20 10 CGCDRN CC(C)n1cccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969223 633542785 /nfs/dbraw/zinc/54/27/85/633542785.db2.gz KSGOTMGQHAQTQN-LBPRGKRZSA-N 0 0 272.348 3.266 20 10 CGCDRN CO[C@@](C)(C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827977924 633543325 /nfs/dbraw/zinc/54/33/25/633543325.db2.gz CLUORBYOUVVXCW-SCLBCKFNSA-N 0 0 299.370 3.131 20 10 CGCDRN C[C@H](NC(=O)C1(c2cccc(F)c2)CC1)c1ccccc1O ZINC000827977898 633543502 /nfs/dbraw/zinc/54/35/02/633543502.db2.gz BJMIOCKCAYVLCZ-LBPRGKRZSA-N 0 0 299.345 3.440 20 10 CGCDRN C[C@H](NC(=O)CCCOc1ccccc1)c1ccccc1O ZINC000827985470 633544814 /nfs/dbraw/zinc/54/48/14/633544814.db2.gz KBGREEHXHHIESB-AWEZNQCLSA-N 0 0 299.370 3.429 20 10 CGCDRN Cc1cccc(OCCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827985485 633545286 /nfs/dbraw/zinc/54/52/86/633545286.db2.gz KHUXMAJATREIAG-AWEZNQCLSA-N 0 0 299.370 3.347 20 10 CGCDRN COC(=O)Cc1ccccc1CSc1nccs1 ZINC000123298740 633642037 /nfs/dbraw/zinc/64/20/37/633642037.db2.gz KWLVBIJKYHLXRU-UHFFFAOYSA-N 0 0 279.386 3.151 20 10 CGCDRN CC(C)(CC(=O)N1Cc2cccc(O)c2C1)CC(F)F ZINC000881428938 636108165 /nfs/dbraw/zinc/10/81/65/636108165.db2.gz LVYACTBYSRAARK-UHFFFAOYSA-N 0 0 283.318 3.306 20 10 CGCDRN CC(C)C[C@@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200939 633723754 /nfs/dbraw/zinc/72/37/54/633723754.db2.gz NRBOOAIHTADLRU-GFCCVEGCSA-N 0 0 261.365 3.307 20 10 CGCDRN O=C(C(C1CCC1)C1CCC1)N1Cc2cccc(O)c2C1 ZINC000871204717 633724520 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CGCDRN CC1(C)C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C(C)(C)O1 ZINC000877164922 635005243 /nfs/dbraw/zinc/00/52/43/635005243.db2.gz GQAOZEXRQNTKCN-LLVKDONJSA-N 0 0 285.334 3.106 20 10 CGCDRN CC[C@H](NC(=O)c1cccc(O)c1O)C1CCCCC1 ZINC000126383673 635007377 /nfs/dbraw/zinc/00/73/77/635007377.db2.gz HCCZVOHKGKLJND-ZDUSSCGKSA-N 0 0 277.364 3.187 20 10 CGCDRN CCOC(=O)[C@H](NCc1ccc(C)cc1O)c1ccccc1 ZINC000877424516 635038539 /nfs/dbraw/zinc/03/85/39/635038539.db2.gz KYVUYURAIIZKGC-QGZVFWFLSA-N 0 0 299.370 3.095 20 10 CGCDRN C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877517594 635068308 /nfs/dbraw/zinc/06/83/08/635068308.db2.gz OPDZICAURYXURI-WCQYABFASA-N 0 0 299.361 3.186 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(F)cc1[O-] ZINC000840876856 635071306 /nfs/dbraw/zinc/07/13/06/635071306.db2.gz PMXDOLVCIYUHOD-NSHDSACASA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1cc(O)c(CN2CCC[C@@H]2c2ncon2)c(Cl)c1 ZINC000840912431 635081249 /nfs/dbraw/zinc/08/12/49/635081249.db2.gz HQYRATOURXNARO-GFCCVEGCSA-N 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ZINC000879025886 635685150 /nfs/dbraw/zinc/68/51/50/635685150.db2.gz LACDAVIVHFNUPN-SECBINFHSA-N 0 0 289.335 3.134 20 10 CGCDRN O=C(NCCCSc1nccs1)C1CC2(CCC2)C1 ZINC000843795573 635780878 /nfs/dbraw/zinc/78/08/78/635780878.db2.gz ALMOZXCAKVCJGK-UHFFFAOYSA-N 0 0 296.461 3.322 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H]2CCC(C)=C(C)C2)c1O ZINC000843833647 635786512 /nfs/dbraw/zinc/78/65/12/635786512.db2.gz XGOBTKHTNNVUEG-CYBMUJFWSA-N 0 0 289.375 3.154 20 10 CGCDRN C[C@@H](NCc1ncc(C2CC2)o1)c1ccccc1O ZINC000879649373 635826724 /nfs/dbraw/zinc/82/67/24/635826724.db2.gz PBLJJRRHCBXFHK-SNVBAGLBSA-N 0 0 258.321 3.108 20 10 CGCDRN CC(C)c1nnc(CN[C@@H](C)c2ccccc2O)s1 ZINC000879649797 635826726 /nfs/dbraw/zinc/82/67/26/635826726.db2.gz HILMWOXWYFAGRN-JTQLQIEISA-N 0 0 277.393 3.218 20 10 CGCDRN CCOC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccccc1O ZINC000879650679 635828443 /nfs/dbraw/zinc/82/84/43/635828443.db2.gz NADQIAVDTXZCBW-JSGCOSHPSA-N 0 0 279.380 3.021 20 10 CGCDRN CCN1C(=O)/C(=C\c2cccc3c2CCC3)SC1=S ZINC000844275454 635853371 /nfs/dbraw/zinc/85/33/71/635853371.db2.gz XJRLBMZMZDUCEZ-UKTHLTGXSA-N 0 0 289.425 3.396 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000844921806 635984100 /nfs/dbraw/zinc/98/41/00/635984100.db2.gz UZIWUFORLOJYEN-RISCZKNCSA-N 0 0 286.350 3.219 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC000845113618 636006371 /nfs/dbraw/zinc/00/63/71/636006371.db2.gz CJHHBVMJEVWBCR-UWWQBHOKSA-N 0 0 298.430 3.313 20 10 CGCDRN C[C@H](NC(=O)CC[C@H]1CC(C)(C)CO1)c1ccccc1O ZINC000881441188 636109601 /nfs/dbraw/zinc/10/96/01/636109601.db2.gz SNYSDMYAQRQWFO-STQMWFEESA-N 0 0 291.391 3.165 20 10 CGCDRN CC(=O)C[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000129051319 636123903 /nfs/dbraw/zinc/12/39/03/636123903.db2.gz XZZVBYCNHRHKJP-GFCCVEGCSA-N 0 0 298.386 3.192 20 10 CGCDRN CCc1cnc(CN(C)c2ccc(OC)cc2)s1 ZINC000845997724 636127551 /nfs/dbraw/zinc/12/75/51/636127551.db2.gz FEPHXWLXWZGKNE-UHFFFAOYSA-N 0 0 262.378 3.351 20 10 CGCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473261 636187462 /nfs/dbraw/zinc/18/74/62/636187462.db2.gz KZSKREHNQITRIE-NXEZZACHSA-N 0 0 269.772 3.344 20 10 CGCDRN C[C@@]1(C(=O)NCc2cc(Cl)ccc2O)CC=CCC1 ZINC000846476067 636188779 /nfs/dbraw/zinc/18/87/79/636188779.db2.gz IMKWRFISKWJZIQ-OAHLLOKOSA-N 0 0 279.767 3.408 20 10 CGCDRN CCN(CC)c1ccc(CNc2cc(CO)ccn2)cc1 ZINC000881821413 636203922 /nfs/dbraw/zinc/20/39/22/636203922.db2.gz DNOQDEDCMXWRLW-UHFFFAOYSA-N 0 0 285.391 3.032 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCC[Si](C)(C)C ZINC000847571113 636399153 /nfs/dbraw/zinc/39/91/53/636399153.db2.gz ZFBMVWUTRUMIKD-UHFFFAOYSA-N 0 0 279.456 3.469 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(OC)o1 ZINC000847571847 636400195 /nfs/dbraw/zinc/40/01/95/636400195.db2.gz LVYXGGZMYTXCRN-UHFFFAOYSA-N 0 0 289.331 3.046 20 10 CGCDRN C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(F)cc1[O-] ZINC000130838125 636519003 /nfs/dbraw/zinc/51/90/03/636519003.db2.gz JHFPXTXPKGTWMN-LBPRGKRZSA-N 0 0 281.371 3.125 20 10 CGCDRN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000883273217 636644028 /nfs/dbraw/zinc/64/40/28/636644028.db2.gz GJPJMWJWDIWENQ-NHCYSSNCSA-N 0 0 269.772 3.121 20 10 CGCDRN CCc1cccc(CN[C@@H](CC(C)(C)C)C(=O)OC)c1O ZINC000848919037 636691375 /nfs/dbraw/zinc/69/13/75/636691375.db2.gz DLRVUSZTUGJLKH-AWEZNQCLSA-N 0 0 293.407 3.022 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848927838 636700725 /nfs/dbraw/zinc/70/07/25/636700725.db2.gz OYMRJKVDKQYNLU-GJZGRUSLSA-N 0 0 294.826 3.152 20 10 CGCDRN COc1cc(CN[C@H](C)C(F)F)c(O)c(C(C)(C)C)c1 ZINC000883406836 636746792 /nfs/dbraw/zinc/74/67/92/636746792.db2.gz CALDNIHFOUOAOG-SECBINFHSA-N 0 0 287.350 3.442 20 10 CGCDRN Nc1ccc(NC(=O)NCC[C@@H]2CCCC2(F)F)cc1 ZINC000883569845 636792315 /nfs/dbraw/zinc/79/23/15/636792315.db2.gz LDOOFJHQTVJXFG-JTQLQIEISA-N 0 0 283.322 3.216 20 10 CGCDRN CCN(Cc1cc(Cl)ccc1O)CC(F)(F)F ZINC000132515018 636814220 /nfs/dbraw/zinc/81/42/20/636814220.db2.gz AYXLSDRFJPDCRS-UHFFFAOYSA-N 0 0 267.678 3.430 20 10 CGCDRN Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(Cl)c1[O-] ZINC000849352114 636818064 /nfs/dbraw/zinc/81/80/64/636818064.db2.gz IQMRBSBRCJXIJL-HNNXBMFYSA-N 0 0 288.778 3.405 20 10 CGCDRN CCc1noc(CSc2ncc(Cl)s2)n1 ZINC000849999529 636924807 /nfs/dbraw/zinc/92/48/07/636924807.db2.gz SVHHMQHRHNDSFL-UHFFFAOYSA-N 0 0 261.759 3.034 20 10 CGCDRN C[C@@H]([NH2+]CCCF)c1cc(Br)cc(F)c1[O-] ZINC000134935988 637053564 /nfs/dbraw/zinc/05/35/64/637053564.db2.gz RKCMVCRDIQUCLK-SSDOTTSWSA-N 0 0 294.139 3.304 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000850481990 637085425 /nfs/dbraw/zinc/08/54/25/637085425.db2.gz PMYYIRLYUBUHLF-CMPLNLGQSA-N 0 0 298.377 3.194 20 10 CGCDRN CC[C@H](NCc1ncccn1)c1cc(Cl)ccc1O ZINC000850553057 637119422 /nfs/dbraw/zinc/11/94/22/637119422.db2.gz SQSUIDUEYBEJQM-LBPRGKRZSA-N 0 0 277.755 3.077 20 10 CGCDRN CC(C)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850555446 637120643 /nfs/dbraw/zinc/12/06/43/637120643.db2.gz IOQSGTYCOKFAIW-ZUZCIYMTSA-N 0 0 278.352 3.386 20 10 CGCDRN C[C@H]([NH2+]CC1=CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850556273 637121742 /nfs/dbraw/zinc/12/17/42/637121742.db2.gz FRNRVERNXABFBV-JTQLQIEISA-N 0 0 262.309 3.061 20 10 CGCDRN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850571097 637128739 /nfs/dbraw/zinc/12/87/39/637128739.db2.gz MNXTWXRNGYHQDY-DYLAAIIWSA-N 0 0 289.297 3.239 20 10 CGCDRN CCOc1ccc(N(C)CCCn2ccnc2C)cc1 ZINC000136395650 637319777 /nfs/dbraw/zinc/31/97/77/637319777.db2.gz UUMRGVINWBNTBZ-UHFFFAOYSA-N 0 0 273.380 3.117 20 10 CGCDRN C[C@@H](Nc1cccc(CCCO)c1)c1ccccc1O ZINC000136421596 637336192 /nfs/dbraw/zinc/33/61/92/637336192.db2.gz OXFLNJSIZRLEJO-CYBMUJFWSA-N 0 0 271.360 3.490 20 10 CGCDRN Nc1ccc(CCNC(=O)C2CC3(C2)CCCCC3)cc1 ZINC000851632039 637461452 /nfs/dbraw/zinc/46/14/52/637461452.db2.gz JLHISSBWBGIJAO-UHFFFAOYSA-N 0 0 286.419 3.288 20 10 CGCDRN CC(C)c1cccc(C(=O)NCCc2ccc(N)cc2)c1 ZINC000851631392 637461984 /nfs/dbraw/zinc/46/19/84/637461984.db2.gz ANVDAZJXRVNULP-UHFFFAOYSA-N 0 0 282.387 3.365 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cccc(F)n1 ZINC000851723185 637475698 /nfs/dbraw/zinc/47/56/98/637475698.db2.gz VYLIFGJYYAJGBH-UHFFFAOYSA-N 0 0 272.323 3.182 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cccnc1 ZINC000886491478 637539965 /nfs/dbraw/zinc/53/99/65/637539965.db2.gz FWWOBQWZAVWRSR-MNOVXSKESA-N 0 0 260.312 3.338 20 10 CGCDRN CSC(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886535044 637560568 /nfs/dbraw/zinc/56/05/68/637560568.db2.gz TYZZWQVTGPWIEJ-VIFPVBQESA-N 0 0 257.374 3.324 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C=CCC2)cc1 ZINC000851987057 637566039 /nfs/dbraw/zinc/56/60/39/637566039.db2.gz JDJQFRPQJKLGPR-OAHLLOKOSA-N 0 0 287.407 3.051 20 10 CGCDRN Cc1ncc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886553863 637578024 /nfs/dbraw/zinc/57/80/24/637578024.db2.gz WWIBERXHJMRBEF-VIFPVBQESA-N 0 0 280.368 3.190 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000886587582 637594162 /nfs/dbraw/zinc/59/41/62/637594162.db2.gz BGILCXFVTHGFEY-NWDGAFQWSA-N 0 0 267.344 3.141 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886590010 637595481 /nfs/dbraw/zinc/59/54/81/637595481.db2.gz LORYAKDAGNGEDX-LLVKDONJSA-N 0 0 269.360 3.245 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000886623428 637614075 /nfs/dbraw/zinc/61/40/75/637614075.db2.gz DCMSTRBBRXRESH-VXGBXAGGSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1c([O-])cccc1F ZINC000886624816 637614404 /nfs/dbraw/zinc/61/44/04/637614404.db2.gz AONPFYBEEKJCPP-UTLUCORTSA-N 0 0 255.358 3.076 20 10 CGCDRN CCN(C)c1ccc(CN[C@@H](C)c2cscn2)cc1 ZINC000852416145 637649187 /nfs/dbraw/zinc/64/91/87/637649187.db2.gz DPXGVWOVZAYORX-LBPRGKRZSA-N 0 0 275.421 3.450 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C)CC2)c1[O-] ZINC000110806764 637703494 /nfs/dbraw/zinc/70/34/94/637703494.db2.gz VVSNNLHECGCTCD-NSHDSACASA-N 0 0 279.355 3.356 20 10 CGCDRN CC[C@@H]([NH2+]CCOCCF)c1cccc(Cl)c1[O-] ZINC000853238281 637789661 /nfs/dbraw/zinc/78/96/61/637789661.db2.gz DVVNUUGMBGHCNX-GFCCVEGCSA-N 0 0 275.751 3.072 20 10 CGCDRN CCOc1cccc(CNc2ccc(N)c(C)c2)c1O ZINC000853249026 637793653 /nfs/dbraw/zinc/79/36/53/637793653.db2.gz BFCPYLUGRMTEGW-UHFFFAOYSA-N 0 0 272.348 3.294 20 10 CGCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)ccc1N ZINC000853249478 637793740 /nfs/dbraw/zinc/79/37/40/637793740.db2.gz HTKKHYIIVVXIKW-UHFFFAOYSA-N 0 0 273.355 3.394 20 10 CGCDRN CCc1nc(C)c(COc2ccc(N(C)C)cc2)o1 ZINC000853692897 637894212 /nfs/dbraw/zinc/89/42/12/637894212.db2.gz LMBKRIVJZJPQHK-UHFFFAOYSA-N 0 0 260.337 3.190 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CNC)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233107 638029752 /nfs/dbraw/zinc/02/97/52/638029752.db2.gz XQMZIOBCQVSBSJ-KWQFWETISA-N 0 0 291.222 3.348 20 10 CGCDRN C[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000112114405 638037180 /nfs/dbraw/zinc/03/71/80/638037180.db2.gz GAOFZLMEMBFKNC-AWEZNQCLSA-N 0 0 283.371 3.229 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000854325131 638043055 /nfs/dbraw/zinc/04/30/55/638043055.db2.gz ZHJCQLOTVLZMAV-USXIJHARSA-N 0 0 286.419 3.147 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)C(C)(C)c1ccccc1 ZINC000854392699 638048933 /nfs/dbraw/zinc/04/89/33/638048933.db2.gz BRWZCVUKQZUMND-UHFFFAOYSA-N 0 0 275.373 3.461 20 10 CGCDRN Cc1cnc(OC(C)C)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000854681947 638086873 /nfs/dbraw/zinc/08/68/73/638086873.db2.gz FCJXPRLWLGDPAR-UHFFFAOYSA-N 0 0 292.360 3.197 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC(c2ccco2)CC1 ZINC000855293770 638166167 /nfs/dbraw/zinc/16/61/67/638166167.db2.gz FCJCMXPLHHSOGN-UHFFFAOYSA-N 0 0 277.345 3.067 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC[C@]12C[C@H]1CCCC2 ZINC000924354459 638334204 /nfs/dbraw/zinc/33/42/04/638334204.db2.gz HVQLWNMMUVYQCA-PBHICJAKSA-N 0 0 288.391 3.114 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000924354466 638334348 /nfs/dbraw/zinc/33/43/48/638334348.db2.gz HVQLWNMMUVYQCA-WMLDXEAASA-N 0 0 288.391 3.114 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000857059728 638446538 /nfs/dbraw/zinc/44/65/38/638446538.db2.gz YBKPVZSXRRSWHE-MRVPVSSYSA-N 0 0 279.689 3.320 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccs1 ZINC000115281609 638515426 /nfs/dbraw/zinc/51/54/26/638515426.db2.gz QBWBWVFXJQKGKI-UHFFFAOYSA-N 0 0 274.389 3.053 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CCc2ccccc21 ZINC000115710012 638596054 /nfs/dbraw/zinc/59/60/54/638596054.db2.gz CFYGWJUOMSKZBY-HNNXBMFYSA-N 0 0 295.382 3.471 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC(C)C)c1 ZINC000858088252 638623522 /nfs/dbraw/zinc/62/35/22/638623522.db2.gz WFVIXZHYHKRQJU-UHFFFAOYSA-N 0 0 284.359 3.045 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCCC1 ZINC000858094239 638625822 /nfs/dbraw/zinc/62/58/22/638625822.db2.gz FBHDGRCXMWFCQH-UHFFFAOYSA-N 0 0 296.370 3.143 20 10 CGCDRN CCN(CC)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000858097947 638627077 /nfs/dbraw/zinc/62/70/77/638627077.db2.gz BNMSTBKVELHKMG-UHFFFAOYSA-N 0 0 298.386 3.389 20 10 CGCDRN CN(C)c1cc(F)c(CNc2ccccc2CO)cc1F ZINC000858150898 638645581 /nfs/dbraw/zinc/64/55/81/638645581.db2.gz MVQHFAMRECBKFZ-UHFFFAOYSA-N 0 0 292.329 3.135 20 10 CGCDRN CCC(F)(F)CNCc1ccc(N(C)C)c(F)c1 ZINC000858259460 638667251 /nfs/dbraw/zinc/66/72/51/638667251.db2.gz TVRWBNDOMNNDRP-UHFFFAOYSA-N 0 0 260.303 3.027 20 10 CGCDRN Nc1ccc(NC(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 ZINC000926145130 638721289 /nfs/dbraw/zinc/72/12/89/638721289.db2.gz TXDGWNIBVUMSQF-CZUORRHYSA-N 0 0 285.391 3.311 20 10 CGCDRN CCC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])OCC ZINC000858451442 638722646 /nfs/dbraw/zinc/72/26/46/638722646.db2.gz SFALLEJRKJDOSD-DGCLKSJQSA-N 0 0 296.367 3.156 20 10 CGCDRN Cc1cnc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000926954808 638828877 /nfs/dbraw/zinc/82/88/77/638828877.db2.gz VXZUIXFBHMAVQX-LBPRGKRZSA-N 0 0 274.339 3.394 20 10 CGCDRN Nc1ccc(CNC(=O)C2(C3CCCCC3)CC2)cc1 ZINC000927767562 638869381 /nfs/dbraw/zinc/86/93/81/638869381.db2.gz GUQMUBXRVFSTEY-UHFFFAOYSA-N 0 0 272.392 3.246 20 10 CGCDRN C[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928710537 638889797 /nfs/dbraw/zinc/88/97/97/638889797.db2.gz UORMDTSCHUMMBD-KBXCAEBGSA-N 0 0 299.345 3.125 20 10 CGCDRN Cc1noc(C(C)C)c1NC(=O)C1=CC(=O)CS1 ZINC000928784365 638891620 /nfs/dbraw/zinc/89/16/20/638891620.db2.gz HOOGQFVXAOPPDU-UHFFFAOYSA-N 0 0 266.322 3.126 20 10 CGCDRN CCN(C/C=C(/C)COC)c1ccc(OC)c(OC)c1 ZINC000929896940 638959933 /nfs/dbraw/zinc/95/99/33/638959933.db2.gz HGHUUUKYTPMYIS-LCYFTJDESA-N 0 0 279.380 3.123 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1nncs1 ZINC000929892384 638960144 /nfs/dbraw/zinc/96/01/44/638960144.db2.gz BMYBWCYARPOIFR-UHFFFAOYSA-N 0 0 297.330 3.092 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cnc(C)o2)cc1 ZINC000929912415 638961472 /nfs/dbraw/zinc/96/14/72/638961472.db2.gz ATRWSECWXUQTEJ-UHFFFAOYSA-N 0 0 260.337 3.408 20 10 CGCDRN C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)C=CCC1 ZINC000930205999 638982929 /nfs/dbraw/zinc/98/29/29/638982929.db2.gz RISYZXDABNDMRC-SFHVURJKSA-N 0 0 284.403 3.259 20 10 CGCDRN CC(C)c1c[nH]c(Sc2ncc([N+](=O)[O-])s2)n1 ZINC000858727038 639016070 /nfs/dbraw/zinc/01/60/70/639016070.db2.gz AXJVBNFXUMNCAN-UHFFFAOYSA-N 0 0 270.339 3.049 20 10 CGCDRN COc1ccc(N(C)Cc2noc(C3CCC3)n2)cc1F ZINC000859164160 639095866 /nfs/dbraw/zinc/09/58/66/639095866.db2.gz VCUZMDVIMHAXDS-UHFFFAOYSA-N 0 0 291.326 3.121 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCOC2CCOCC2)cc1 ZINC000859277892 639124405 /nfs/dbraw/zinc/12/44/05/639124405.db2.gz FHPIYXOWOUDVQO-UHFFFAOYSA-N 0 0 293.407 3.106 20 10 CGCDRN Oc1ccccc1CNc1cncc(Br)c1 ZINC000117845982 639471783 /nfs/dbraw/zinc/47/17/83/639471783.db2.gz OGVBVJYXAHCREW-UHFFFAOYSA-N 0 0 279.137 3.162 20 10 CGCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862024522 639635306 /nfs/dbraw/zinc/63/53/06/639635306.db2.gz ABTBUCBLUFSZPZ-IUODEOHRSA-N 0 0 298.386 3.383 20 10 CGCDRN CC[C@@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155675802 639945358 /nfs/dbraw/zinc/94/53/58/639945358.db2.gz YDNGWTPBSPNFRP-CQSZACIVSA-N 0 0 287.407 3.003 20 10 CGCDRN CCc1ccccc1NC(=O)CSc1nccs1 ZINC000047243107 640006891 /nfs/dbraw/zinc/00/68/91/640006891.db2.gz ZORHQCCMIRMNCU-UHFFFAOYSA-N 0 0 278.402 3.436 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1=CCCCC1 ZINC000188556107 640143539 /nfs/dbraw/zinc/14/35/39/640143539.db2.gz JODKCBKQAKVATN-UHFFFAOYSA-N 0 0 285.387 3.388 20 10 CGCDRN COc1cccc(CNc2cnn([C@H](C)C3CC3)c2)c1O ZINC000189246458 640180423 /nfs/dbraw/zinc/18/04/23/640180423.db2.gz JXCODJBLHLPIQK-LLVKDONJSA-N 0 0 287.363 3.180 20 10 CGCDRN CC(C)(C)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000076549971 640204476 /nfs/dbraw/zinc/20/44/76/640204476.db2.gz MZVZTRHJAADJEM-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN COc1ccc(N(Cc2cccs2)C[C@@H](C)O)cc1 ZINC000192754821 640401920 /nfs/dbraw/zinc/40/19/20/640401920.db2.gz VKQZBFQWNMKQHD-GFCCVEGCSA-N 0 0 277.389 3.144 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C2CC2)cc1 ZINC000079890218 640435681 /nfs/dbraw/zinc/43/56/81/640435681.db2.gz CVXPSXWGEDPKOK-CYBMUJFWSA-N 0 0 289.423 3.131 20 10 CGCDRN COCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000193989354 640505859 /nfs/dbraw/zinc/50/58/59/640505859.db2.gz IKPIFZFLRRBDLP-UHFFFAOYSA-N 0 0 271.307 3.077 20 10 CGCDRN O=[N+]([O-])c1cnc(Sc2ccc(F)c(F)c2)s1 ZINC000195506486 640587955 /nfs/dbraw/zinc/58/79/55/640587955.db2.gz GBIHMWOJSPKXES-UHFFFAOYSA-N 0 0 274.273 3.481 20 10 CGCDRN CCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000093508679 640774219 /nfs/dbraw/zinc/77/42/19/640774219.db2.gz ACWILPLJPOHEDC-CYBMUJFWSA-N 0 0 269.772 3.047 20 10 CGCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000113220733 640972120 /nfs/dbraw/zinc/97/21/20/640972120.db2.gz WDMOIXITRXYXPP-ZJNQMXKESA-N 0 0 284.311 3.415 20 10 CGCDRN Cc1cc2[nH]c(-c3ccc(O)c(O)c3)nc2cc1F ZINC001250464966 805632806 /nfs/dbraw/zinc/63/28/06/805632806.db2.gz QFLUTANGRKMKCM-UHFFFAOYSA-N 0 0 258.252 3.089 20 10 CGCDRN CCn1c2cc(C)ccc2nc1-c1ccc(O)c(O)c1 ZINC001250465101 805633748 /nfs/dbraw/zinc/63/37/48/805633748.db2.gz YPDKEIUQWZZBFJ-UHFFFAOYSA-N 0 0 268.316 3.443 20 10 CGCDRN Nc1ccc(Nc2cncc(OC(F)(F)F)c2)cc1 ZINC001159415804 806098088 /nfs/dbraw/zinc/09/80/88/806098088.db2.gz ARQCUXDQZIEIMW-UHFFFAOYSA-N 0 0 269.226 3.306 20 10 CGCDRN COC(=O)c1cc(Cl)ccc1Nc1ccc(N)cc1 ZINC001159616242 806134223 /nfs/dbraw/zinc/13/42/23/806134223.db2.gz PVWKGBAGGRCJFA-UHFFFAOYSA-N 0 0 276.723 3.452 20 10 CGCDRN CCOC(=O)c1cc(C)ccc1Nc1ccc(N)cc1 ZINC001159640943 806140444 /nfs/dbraw/zinc/14/04/44/806140444.db2.gz WAUQLAJBUMIXNG-UHFFFAOYSA-N 0 0 270.332 3.498 20 10 CGCDRN COCc1ccc(NCc2cc3ccccc3cc2O)nn1 ZINC001160206618 806235356 /nfs/dbraw/zinc/23/53/56/806235356.db2.gz NIHRINNPRJPRGH-UHFFFAOYSA-N 0 0 295.342 3.094 20 10 CGCDRN Oc1cc2ccccc2cc1CNc1ccc(F)nn1 ZINC001160207923 806235553 /nfs/dbraw/zinc/23/55/53/806235553.db2.gz WTTWXVSLMAEUBN-UHFFFAOYSA-N 0 0 269.279 3.087 20 10 CGCDRN COc1cccnc1NCc1c(C)cc(C)cc1O ZINC001160808193 806304660 /nfs/dbraw/zinc/30/46/60/806304660.db2.gz NZORQGQBPNXIJM-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN Cc1c([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cnn1C ZINC001254721671 806487193 /nfs/dbraw/zinc/48/71/93/806487193.db2.gz UGUGLBJWKCMLSS-BDAKNGLRSA-N 0 0 295.333 3.124 20 10 CGCDRN COc1c(F)cc(N(C)c2ccc(N)cc2)cc1F ZINC001211687294 814931730 /nfs/dbraw/zinc/93/17/30/814931730.db2.gz ZQEXLSQOPKEEIR-UHFFFAOYSA-N 0 0 264.275 3.324 20 10 CGCDRN CSc1nc(Cl)cc(NCc2ccc(N)cc2)n1 ZINC001162784710 806665110 /nfs/dbraw/zinc/66/51/10/806665110.db2.gz SRLPFJZOSGNOOH-UHFFFAOYSA-N 0 0 280.784 3.046 20 10 CGCDRN CCOc1cccc(CNc2cccnc2OCC)c1O ZINC000037026376 798856740 /nfs/dbraw/zinc/85/67/40/798856740.db2.gz RAAZECYMHQHJSV-UHFFFAOYSA-N 0 0 288.347 3.197 20 10 CGCDRN CC(C)CC(C)(C)CNC(=O)Nc1ccc(N)cc1 ZINC000391302088 799478251 /nfs/dbraw/zinc/47/82/51/799478251.db2.gz VOXSWNRQWFWGBV-UHFFFAOYSA-N 0 0 263.385 3.463 20 10 CGCDRN Oc1cccc2c1[C@@H](N[C@@H]1CCCC1(F)F)CC2 ZINC000397970190 799524826 /nfs/dbraw/zinc/52/48/26/799524826.db2.gz SYFGPHYPLPHLRS-CMPLNLGQSA-N 0 0 253.292 3.157 20 10 CGCDRN Cc1cc(CNCc2csnn2)c(C)n1-c1ccccc1 ZINC000398408437 799531192 /nfs/dbraw/zinc/53/11/92/799531192.db2.gz KYZRWAOBOSRILQ-UHFFFAOYSA-N 0 0 298.415 3.235 20 10 CGCDRN CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000403811912 799572027 /nfs/dbraw/zinc/57/20/27/799572027.db2.gz JWRYRMKVJCOPBO-GFCCVEGCSA-N 0 0 283.799 3.435 20 10 CGCDRN CC(C)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000588405506 799689127 /nfs/dbraw/zinc/68/91/27/799689127.db2.gz ZEUDUSOYDPUUFQ-YWEYNIOJSA-N 0 0 289.375 3.148 20 10 CGCDRN CCOc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588405801 799689268 /nfs/dbraw/zinc/68/92/68/799689268.db2.gz XJRHKEBRPJGJLO-CLFYSBASSA-N 0 0 299.326 3.148 20 10 CGCDRN CC1(C)CCCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407760 799690355 /nfs/dbraw/zinc/69/03/55/799690355.db2.gz OOACAQTWEQDMNG-SOIVGHGOSA-N 0 0 289.375 3.196 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ccnc(N)n1 ZINC001163488878 806769335 /nfs/dbraw/zinc/76/93/35/806769335.db2.gz ZCUXFMDRRAGECA-OAHLLOKOSA-N 0 0 298.390 3.117 20 10 CGCDRN CCCc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000588506978 799703957 /nfs/dbraw/zinc/70/39/57/799703957.db2.gz QDVTVAYVROLUQJ-FMIVXFBMSA-N 0 0 277.414 3.470 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc(Cl)cc2F)SC1=S ZINC000588542872 799709152 /nfs/dbraw/zinc/70/91/52/799709152.db2.gz ZEWIBPSHKBNBKB-RUDMXATFSA-N 0 0 287.768 3.310 20 10 CGCDRN C[C@@H](N[C@@H](C)c1cscn1)c1cc(F)ccc1O ZINC000697821808 799849832 /nfs/dbraw/zinc/84/98/32/799849832.db2.gz PDUAVZZJXUJTMI-BDAKNGLRSA-N 0 0 266.341 3.400 20 10 CGCDRN CC(C)(F)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000700600364 799875460 /nfs/dbraw/zinc/87/54/60/799875460.db2.gz UYJWTAMUBJMHDM-UHFFFAOYSA-N 0 0 290.176 3.383 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCCc3occc32)ccc(F)c1F ZINC000703287518 799921424 /nfs/dbraw/zinc/92/14/24/799921424.db2.gz XRFXWJCMWMYOTL-LBPRGKRZSA-N 0 0 279.286 3.431 20 10 CGCDRN CNc1ccccc1NC1CCC2(CCC(=O)N2C)CC1 ZINC001163596945 806790036 /nfs/dbraw/zinc/79/00/36/806790036.db2.gz PAZRMHZLEDUEJY-UHFFFAOYSA-N 0 0 287.407 3.074 20 10 CGCDRN C[C@H](NCc1c(O)cccc1Br)C(F)(F)F ZINC000706844266 799966989 /nfs/dbraw/zinc/96/69/89/799966989.db2.gz JOBXEMMZKSXEDH-LURJTMIESA-N 0 0 298.102 3.195 20 10 CGCDRN C[C@]12CCCC[C@H]1CN2C(=O)Nc1ccc(N)cc1 ZINC000707139477 799973592 /nfs/dbraw/zinc/97/35/92/799973592.db2.gz SJIDMQHJXWWNHU-NHYWBVRUSA-N 0 0 259.353 3.065 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000708517818 799990883 /nfs/dbraw/zinc/99/08/83/799990883.db2.gz UQIAAXTUJLLYJQ-SECBINFHSA-N 0 0 277.261 3.195 20 10 CGCDRN Cc1nc(C[NH2+]Cc2cc(F)cc(F)c2[O-])sc1C ZINC000719527491 800240415 /nfs/dbraw/zinc/24/04/15/800240415.db2.gz JNRZKRVCSIVGPC-UHFFFAOYSA-N 0 0 284.331 3.034 20 10 CGCDRN C/C=C/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014380 800385109 /nfs/dbraw/zinc/38/51/09/800385109.db2.gz IGHDYMPMZWBRKX-IYKPNBQOSA-N 0 0 258.365 3.062 20 10 CGCDRN C[C@@H]1CC=C(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761813 800560074 /nfs/dbraw/zinc/56/00/74/800560074.db2.gz YVCKZHYNNYHYID-SNVBAGLBSA-N 0 0 279.767 3.408 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000890761845 800560104 /nfs/dbraw/zinc/56/01/04/800560104.db2.gz ZXKULBMKCMYTCM-CHWSQXEVSA-N 0 0 293.794 3.488 20 10 CGCDRN CCc1nc(C)cc(NCc2cccc(Cl)c2O)n1 ZINC000897392349 800588574 /nfs/dbraw/zinc/58/85/74/800588574.db2.gz YGEJALKUWPYOOQ-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NCc2nonc2C)cc1 ZINC001164058975 806881901 /nfs/dbraw/zinc/88/19/01/806881901.db2.gz GJFCAEGNISCHOF-UHFFFAOYSA-N 0 0 282.347 3.398 20 10 CGCDRN Cc1cc(NCc2c(O)cccc2O)nc(C2CCC2)n1 ZINC001164212274 806916021 /nfs/dbraw/zinc/91/60/21/806916021.db2.gz JIXAUHOZKBJHPQ-UHFFFAOYSA-N 0 0 285.347 3.076 20 10 CGCDRN COc1ccc(N(CC(=O)OC(C)C)C(C)C)cc1F ZINC001116347278 802333293 /nfs/dbraw/zinc/33/32/93/802333293.db2.gz IKGFGVKWBFASMK-UHFFFAOYSA-N 0 0 283.343 3.001 20 10 CGCDRN CC[C@H]([NH2+]CCC1CCOCC1)c1ccc(F)cc1[O-] ZINC001117113954 802434368 /nfs/dbraw/zinc/43/43/68/802434368.db2.gz XIUKZHXNVKIXAO-HNNXBMFYSA-N 0 0 281.371 3.389 20 10 CGCDRN C[C@H](CCC(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001123890254 802978844 /nfs/dbraw/zinc/97/88/44/802978844.db2.gz WEZBQBCKVDAOJW-CYBMUJFWSA-N 0 0 299.370 3.298 20 10 CGCDRN Cc1cc(C)c(N)c(-c2ccn(CC(C)C)c(=O)c2)c1 ZINC001244616119 803466052 /nfs/dbraw/zinc/46/60/52/803466052.db2.gz LMCJVFIDJCVCNO-UHFFFAOYSA-N 0 0 270.376 3.370 20 10 CGCDRN CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC001136622207 803648704 /nfs/dbraw/zinc/64/87/04/803648704.db2.gz AYEQZOBSZMALOZ-JSGCOSHPSA-N 0 0 291.391 3.495 20 10 CGCDRN Cn1ccc2ncc(-c3cncn3Cc3ccccc3)cc21 ZINC001245198798 803661840 /nfs/dbraw/zinc/66/18/40/803661840.db2.gz OFEGHRLZXXNYGC-UHFFFAOYSA-N 0 0 288.354 3.485 20 10 CGCDRN Cc1cc([C@@H]2CCCN2Cc2c(O)cccc2F)no1 ZINC001137831980 803778565 /nfs/dbraw/zinc/77/85/65/803778565.db2.gz VNUZTRSBFMCPFB-AWEZNQCLSA-N 0 0 276.311 3.165 20 10 CGCDRN Oc1cccc(F)c1CN1CCc2c(F)cccc2C1 ZINC001137840082 803779878 /nfs/dbraw/zinc/77/98/78/803779878.db2.gz RNRHNLKWQNPBEU-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN C[N@H+](CCc1cccs1)Cc1c([O-])cccc1F ZINC001137837647 803781546 /nfs/dbraw/zinc/78/15/46/803781546.db2.gz POHPPFXCGPNVSD-UHFFFAOYSA-N 0 0 265.353 3.267 20 10 CGCDRN CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138124911 803862939 /nfs/dbraw/zinc/86/29/39/803862939.db2.gz DEMOJYOOQVSBHV-PBHICJAKSA-N 0 0 293.382 3.170 20 10 CGCDRN CN(Cc1nc2ccccc2o1)Cc1cccc(F)c1O ZINC001138128536 803863579 /nfs/dbraw/zinc/86/35/79/803863579.db2.gz PYYBBIDSPAQSAN-UHFFFAOYSA-N 0 0 286.306 3.305 20 10 CGCDRN Cc1c(CN2Cc3ncsc3C2)c2ccccc2n1C ZINC001138259139 803884060 /nfs/dbraw/zinc/88/40/60/803884060.db2.gz CHDLIOFBVUEDKC-UHFFFAOYSA-N 0 0 283.400 3.459 20 10 CGCDRN c1cc2cc(-c3noc(-c4csnn4)n3)ccc2s1 ZINC001212362411 815010454 /nfs/dbraw/zinc/01/04/54/815010454.db2.gz RVLXZEZFLYWMSN-UHFFFAOYSA-N 0 0 286.341 3.470 20 10 CGCDRN C[C@]1(CF)CC(F)(F)CN1Cc1cc(F)ccc1O ZINC001140058310 804364517 /nfs/dbraw/zinc/36/45/17/804364517.db2.gz WVEUUXACQFGJQA-GFCCVEGCSA-N 0 0 277.261 3.101 20 10 CGCDRN C[C@@H]1C[C@H](F)CN1Cc1c(O)cccc1Br ZINC001140098745 804376933 /nfs/dbraw/zinc/37/69/33/804376933.db2.gz LCJCDWNUINJMTK-BDAKNGLRSA-N 0 0 288.160 3.087 20 10 CGCDRN CCC[C@@H](C)CC(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001140198819 804400845 /nfs/dbraw/zinc/40/08/45/804400845.db2.gz USBPKMRRIWRJPX-GFCCVEGCSA-N 0 0 284.396 3.320 20 10 CGCDRN C[C@@]1(F)CCN(Cc2c(O)cccc2Cl)C[C@@H]1F ZINC001140338064 804418627 /nfs/dbraw/zinc/41/86/27/804418627.db2.gz TUSLGUXWBZIMOC-QWHCGFSZSA-N 0 0 275.726 3.318 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001140461176 804440928 /nfs/dbraw/zinc/44/09/28/804440928.db2.gz GFECXEZAIRCMHI-DOMZBBRYSA-N 0 0 281.783 3.047 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140461178 804441635 /nfs/dbraw/zinc/44/16/35/804441635.db2.gz GFECXEZAIRCMHI-SWLSCSKDSA-N 0 0 281.783 3.047 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(C)cc2F)no1 ZINC001212402977 815019516 /nfs/dbraw/zinc/01/95/16/815019516.db2.gz HJJJYEFNKKPPMS-UHFFFAOYSA-N 0 0 276.296 3.011 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CC2)CC1 ZINC001140582387 804466410 /nfs/dbraw/zinc/46/64/10/804466410.db2.gz HDULZQPPYAIRRA-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140580697 804466873 /nfs/dbraw/zinc/46/68/73/804466873.db2.gz CXLPTGSMIDSNLY-MNOVXSKESA-N 0 0 267.319 3.292 20 10 CGCDRN C[N@H+](Cc1c([O-])cc(F)cc1F)C1CCCCC1 ZINC001140580266 804466954 /nfs/dbraw/zinc/46/69/54/804466954.db2.gz VBNZXBYPBWLWEZ-UHFFFAOYSA-N 0 0 255.308 3.435 20 10 CGCDRN FC(F)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935215 807013319 /nfs/dbraw/zinc/01/33/19/807013319.db2.gz HVDCHAVNEZDAFU-UHFFFAOYSA-N 0 0 261.231 3.465 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc([C@H]4CCCO4)o3)cc2)c1 ZINC001256935348 807014078 /nfs/dbraw/zinc/01/40/78/807014078.db2.gz IWWQNAKYPMDLST-CQSZACIVSA-N 0 0 281.315 3.379 20 10 CGCDRN CO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921678 804549071 /nfs/dbraw/zinc/54/90/71/804549071.db2.gz MRINBMQBIYWGKI-AWEZNQCLSA-N 0 0 282.815 3.017 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CCOc1ccc(N(CC)CCc2cnn(CC)c2)cc1 ZINC001459740424 937498346 /nfs/dbraw/zinc/49/83/46/937498346.db2.gz MTQADTOPGSJIPX-UHFFFAOYSA-N 0 0 287.407 3.371 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(Cl)nc1 ZINC001461063211 937562251 /nfs/dbraw/zinc/56/22/51/937562251.db2.gz FMAQFCMBCHGBSE-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN C[C@H](O)C(=O)Oc1ccc(/N=N/c2ccccc2)cc1 ZINC001229006406 932070986 /nfs/dbraw/zinc/07/09/86/932070986.db2.gz DYNYSNGFAVRAAI-JCNXWTJJSA-N 0 0 270.288 3.388 20 10 CGCDRN CC1(C)CCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001229536159 932168944 /nfs/dbraw/zinc/16/89/44/932168944.db2.gz DOFGYUINNHCAEQ-CYBMUJFWSA-N 0 0 296.798 3.424 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cn2ccnc2s1 ZINC001461815591 937599112 /nfs/dbraw/zinc/59/91/12/937599112.db2.gz GOPJELZRDYWPCK-UHFFFAOYSA-N 0 0 293.779 3.045 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CC=CCC1 ZINC001462051276 937614740 /nfs/dbraw/zinc/61/47/40/937614740.db2.gz NZBCSUBKUVFRTH-AWEZNQCLSA-N 0 0 272.392 3.308 20 10 CGCDRN Cc1cccc2c1N(Cc1cc(F)ccc1O)CC2 ZINC001462076940 937616183 /nfs/dbraw/zinc/61/61/83/937616183.db2.gz VHIZDDBMGCHWRA-UHFFFAOYSA-N 0 0 257.308 3.402 20 10 CGCDRN Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C3CC3)C2)c(Cl)c1 ZINC001462176364 937622837 /nfs/dbraw/zinc/62/28/37/937622837.db2.gz IWXQUOJFURXOEF-MEDUHNTESA-N 0 0 295.810 3.353 20 10 CGCDRN CCN(OC)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001303823230 932834531 /nfs/dbraw/zinc/83/45/31/932834531.db2.gz IDXHNMPSBGXIDE-UHFFFAOYSA-N 0 0 286.375 3.426 20 10 CGCDRN Cc1[nH]nc(NC(=O)C2=CC(=O)CS2)c1-c1ccccc1 ZINC001306093983 932875088 /nfs/dbraw/zinc/87/50/88/932875088.db2.gz IFZRQEKFUQMRPB-UHFFFAOYSA-N 0 0 299.355 3.405 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2CCOC1CC1 ZINC001307537374 932966658 /nfs/dbraw/zinc/96/66/58/932966658.db2.gz RYKBZTWAACOMGK-UHFFFAOYSA-N 0 0 283.318 3.220 20 10 CGCDRN Cc1cccc(C[NH2+]Cc2c([O-])cccc2F)c1F ZINC001462589069 937652520 /nfs/dbraw/zinc/65/25/20/937652520.db2.gz JINRFDKEMULMCX-UHFFFAOYSA-N 0 0 263.287 3.269 20 10 CGCDRN C[N@H+](CCOc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001308559327 933133194 /nfs/dbraw/zinc/13/31/94/933133194.db2.gz BLTHSDPRYBBEIY-UHFFFAOYSA-N 0 0 293.313 3.181 20 10 CGCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(F)c(F)c1 ZINC001310065274 933249881 /nfs/dbraw/zinc/24/98/81/933249881.db2.gz JSZCJCHKFKHJSH-UHFFFAOYSA-N 0 0 296.248 3.131 20 10 CGCDRN Cc1ccc(C(=O)NCC[C@H]2CCCC[C@H]2C)c(O)c1O ZINC001465151466 937698442 /nfs/dbraw/zinc/69/84/42/937698442.db2.gz KRSXUJKDOMILHR-DGCLKSJQSA-N 0 0 291.391 3.352 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CCCCC1CC1 ZINC001474665530 933627946 /nfs/dbraw/zinc/62/79/46/933627946.db2.gz IDDCMWXTCNTMCY-UHFFFAOYSA-N 0 0 255.308 3.340 20 10 CGCDRN Cc1cc([C@H](C)NC(=O)NCc2ccccc2O)c(C)o1 ZINC001318309745 933709536 /nfs/dbraw/zinc/70/95/36/933709536.db2.gz ZSVYTVSITKUDNQ-NSHDSACASA-N 0 0 288.347 3.162 20 10 CGCDRN CCn1cccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001467259655 937716637 /nfs/dbraw/zinc/71/66/37/937716637.db2.gz MBVOTYZMLFVCRC-ZDUSSCGKSA-N 0 0 285.391 3.065 20 10 CGCDRN CC1(C)CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC001469436461 937739492 /nfs/dbraw/zinc/73/94/92/937739492.db2.gz LLEFWXVAONQQNG-LLVKDONJSA-N 0 0 296.798 3.424 20 10 CGCDRN CCCCO[C@@H](C)C(=O)Nc1c2nonc2ccc1Cl ZINC001321102889 934150698 /nfs/dbraw/zinc/15/06/98/934150698.db2.gz AVAFUABHHPVIHD-QMMMGPOBSA-N 0 0 297.742 3.020 20 10 CGCDRN C/C(=C\C(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC001470254039 937749998 /nfs/dbraw/zinc/74/99/98/937749998.db2.gz DVIQRTGLZUKGNT-FMIVXFBMSA-N 0 0 271.316 3.013 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC001471196349 937762779 /nfs/dbraw/zinc/76/27/79/937762779.db2.gz ZATIOVBBXDOSML-JTQLQIEISA-N 0 0 261.346 3.253 20 10 CGCDRN CC(C)CC(CC(C)C)C(=O)NCc1c(O)cccc1O ZINC001472063585 937772178 /nfs/dbraw/zinc/77/21/78/937772178.db2.gz NRAAVKJVKNTFRM-UHFFFAOYSA-N 0 0 293.407 3.422 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C3CC3)O2)cc1F ZINC001473250116 937799112 /nfs/dbraw/zinc/79/91/12/937799112.db2.gz CQONRGAIPPQPJX-ZFWWWQNUSA-N 0 0 279.355 3.228 20 10 CGCDRN Cc1cnc(C)nc1NCc1ccc(N2CCCC2)cc1 ZINC001327707138 935078960 /nfs/dbraw/zinc/07/89/60/935078960.db2.gz NELPYRPRFXBPMQ-UHFFFAOYSA-N 0 0 282.391 3.306 20 10 CGCDRN CN(Cc1ccccc1O)c1nc(C2CC2)nc2[nH]ccc21 ZINC001329349783 935207460 /nfs/dbraw/zinc/20/74/60/935207460.db2.gz ONQLXUQPXSWSCM-UHFFFAOYSA-N 0 0 294.358 3.177 20 10 CGCDRN C[C@@H](NC(=O)C1(Oc2ccccc2)CC1)c1ccccc1O ZINC001329881017 935251344 /nfs/dbraw/zinc/25/13/44/935251344.db2.gz FZQKSKFEZXADRJ-CYBMUJFWSA-N 0 0 297.354 3.181 20 10 CGCDRN CCOc1ccc(N(C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC001330674602 935310749 /nfs/dbraw/zinc/31/07/49/935310749.db2.gz AXTCUPLLJUUCGX-UHFFFAOYSA-N 0 0 298.386 3.469 20 10 CGCDRN CC(=O)N1Cc2ccc(NCc3ccc(C)cc3O)cc2C1 ZINC001331068045 935347643 /nfs/dbraw/zinc/34/76/43/935347643.db2.gz UGNGAFVFEDEGHA-UHFFFAOYSA-N 0 0 296.370 3.175 20 10 CGCDRN C[C@H](NC(=O)NCCCC(F)F)c1ccc(N(C)C)cc1 ZINC001332314871 935459289 /nfs/dbraw/zinc/45/92/89/935459289.db2.gz NTMJGDNGOYMPTH-NSHDSACASA-N 0 0 299.365 3.158 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)OC2CCCCC2)c1 ZINC001335332575 936139992 /nfs/dbraw/zinc/13/99/92/936139992.db2.gz ZVBLNZYJZXDDFA-CYBMUJFWSA-N 0 0 291.391 3.055 20 10 CGCDRN CCC[C@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC001335540359 936152024 /nfs/dbraw/zinc/15/20/24/936152024.db2.gz YKKKBLMCOGRSRW-AWEZNQCLSA-N 0 0 277.412 3.283 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC001336910254 936226699 /nfs/dbraw/zinc/22/66/99/936226699.db2.gz RZRWYHVWJJYUBZ-GOEBONIOSA-N 0 0 287.407 3.037 20 10 CGCDRN COc1ccc(N(C)Cc2ncoc2C(C)C)cc1OC ZINC001337107409 936237049 /nfs/dbraw/zinc/23/70/49/936237049.db2.gz BNDFRNJNLPKLDZ-UHFFFAOYSA-N 0 0 290.363 3.452 20 10 CGCDRN C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001474422543 937858933 /nfs/dbraw/zinc/85/89/33/937858933.db2.gz LSOKICAFNZXURB-LURJTMIESA-N 0 0 269.213 3.101 20 10 CGCDRN CN(C)c1ccc(CN2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC001474759455 937879401 /nfs/dbraw/zinc/87/94/01/937879401.db2.gz MNFRIEBZWRRCLR-UHFFFAOYSA-N 0 0 294.267 3.222 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1C)c1ccccc1OC ZINC001524953283 938046781 /nfs/dbraw/zinc/04/67/81/938046781.db2.gz TUMYRAWSBFDZAQ-VAWYXSNFSA-N 0 0 296.370 3.465 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc(Cl)nc1 ZINC001538688242 938120141 /nfs/dbraw/zinc/12/01/41/938120141.db2.gz ZASBVQUFDIYOEP-DHZHZOJOSA-N 0 0 287.750 3.196 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2cc(C)ccc21 ZINC001539177804 938123366 /nfs/dbraw/zinc/12/33/66/938123366.db2.gz JMMQXYRTPWEKLB-SDNWHVSQSA-N 0 0 278.355 3.383 20 10 CGCDRN Cc1cc(CC(=O)NC[C@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001540818499 938134317 /nfs/dbraw/zinc/13/43/17/938134317.db2.gz VQXXIEAMUKIBPO-SUMWQHHRSA-N 0 0 296.414 3.409 20 10 CGCDRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001544043696 938143064 /nfs/dbraw/zinc/14/30/64/938143064.db2.gz DPNUYAMWLWITOA-RKDXNWHRSA-N 0 0 293.388 3.477 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)NCC1CCCCCCC1 ZINC001544841815 938147262 /nfs/dbraw/zinc/14/72/62/938147262.db2.gz FMHKXYMDLHNTRW-UHFFFAOYSA-N 0 0 291.391 3.117 20 10 CGCDRN CC1(C)CCC[C@H](CC(=O)NCc2cccc(O)c2O)C1 ZINC001548791614 938152124 /nfs/dbraw/zinc/15/21/24/938152124.db2.gz KCLYGTZEYCERBY-GFCCVEGCSA-N 0 0 291.391 3.321 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CSc2ccccc21)c1ccccc1O ZINC001557967616 938212856 /nfs/dbraw/zinc/21/28/56/938212856.db2.gz HTLKKXJEAOVLNM-SMDDNHRTSA-N 0 0 299.395 3.459 20 10 CGCDRN Cc1coc(C)c1C(=O)NCc1cccc(Cl)c1O ZINC001558757727 938217508 /nfs/dbraw/zinc/21/75/08/938217508.db2.gz PTUNTZLYTGSLID-UHFFFAOYSA-N 0 0 279.723 3.185 20 10 CGCDRN CC[C@@H](CN(CC1CC1)c1ccc(OC)cc1)OC ZINC001559847923 938237263 /nfs/dbraw/zinc/23/72/63/938237263.db2.gz FDEKBOCIGWYOSL-HNNXBMFYSA-N 0 0 263.381 3.337 20 10 CGCDRN Cc1nonc1CN(C)c1ccc(-c2nccs2)cc1 ZINC001559896205 938238149 /nfs/dbraw/zinc/23/81/49/938238149.db2.gz FLELEVSLPRFDQA-UHFFFAOYSA-N 0 0 286.360 3.138 20 10 CGCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cncn1C ZINC001559928316 938239292 /nfs/dbraw/zinc/23/92/92/938239292.db2.gz VAXZYPVXALEFED-HNNXBMFYSA-N 0 0 299.418 3.264 20 10 CGCDRN CCOc1ccc(N(C)C[C@H](COC)C(C)C)cc1 ZINC001560122633 938244675 /nfs/dbraw/zinc/24/46/75/938244675.db2.gz CLWDHGICJOVUJG-CQSZACIVSA-N 0 0 265.397 3.440 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC001560413839 938257689 /nfs/dbraw/zinc/25/76/89/938257689.db2.gz XEYNTEYXDZSELF-GFCCVEGCSA-N 0 0 287.762 3.234 20 10 CGCDRN COc1ccc(O)c(CN2C[C@@H](C)Oc3cc(C)ccc32)c1 ZINC001560775253 938275543 /nfs/dbraw/zinc/27/55/43/938275543.db2.gz FQWVXHLVHXPRMG-CYBMUJFWSA-N 0 0 299.370 3.497 20 10 CGCDRN CCc1ccccc1C[NH2+]Cc1c([O-])cccc1F ZINC001561016320 938289603 /nfs/dbraw/zinc/28/96/03/938289603.db2.gz UFLMIMXSXPTBBL-UHFFFAOYSA-N 0 0 259.324 3.384 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCc2ccccc2C1 ZINC001561016164 938289674 /nfs/dbraw/zinc/28/96/74/938289674.db2.gz PNNJKDIFVNHSOW-AWEZNQCLSA-N 0 0 271.335 3.178 20 10 CGCDRN CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(C)ccc1O ZINC001563543104 938304028 /nfs/dbraw/zinc/30/40/28/938304028.db2.gz PHZLXPNWGFGWHL-UKRRQHHQSA-N 0 0 290.407 3.469 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 ZINC001564112658 938307760 /nfs/dbraw/zinc/30/77/60/938307760.db2.gz QSBIBFLOCXBDIG-STQMWFEESA-N 0 0 290.407 3.325 20 10 CGCDRN Cc1cc(C(=O)OC(C)C)c(C)n1-c1ccccn1 ZINC000193010776 957821596 /nfs/dbraw/zinc/82/15/96/957821596.db2.gz RUPKPUHYNAHFSZ-UHFFFAOYSA-N 0 0 258.321 3.054 20 10 CGCDRN C[N@H+](Cc1ccccc1O)Cc1cc(F)cc(F)c1[O-] ZINC001308623868 958797614 /nfs/dbraw/zinc/79/76/14/958797614.db2.gz IGGBUYSTMHVQTB-UHFFFAOYSA-N 0 0 279.286 3.008 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)C1(F)CCCC1 ZINC001117547266 958822532 /nfs/dbraw/zinc/82/25/32/958822532.db2.gz IHXSDLVIDWZXML-UHFFFAOYSA-N 0 0 283.690 3.097 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C[C@@H]1C ZINC001564538428 960658796 /nfs/dbraw/zinc/65/87/96/960658796.db2.gz GQBYWHYRWAXQAA-GRYCIOLGSA-N 0 0 294.370 3.155 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CC2CCC1CC2)c1ccccc1O ZINC001564807000 960691540 /nfs/dbraw/zinc/69/15/40/960691540.db2.gz IQOJOPVULPHYGP-XZNOPERXSA-N 0 0 288.391 3.331 20 10 CGCDRN CCC1(c2ccccc2)CN(C(=O)Cc2ccc(N)cc2)C1 ZINC001577233432 962518188 /nfs/dbraw/zinc/51/81/88/962518188.db2.gz JJPZOJOPLGJBQP-UHFFFAOYSA-N 0 0 294.398 3.002 20 10 CGCDRN CN(C(=O)c1cccc2c1CCN2)c1ccc(F)c(F)c1 ZINC001578391917 962586916 /nfs/dbraw/zinc/58/69/16/962586916.db2.gz UXIPSXDYPJNYJJ-UHFFFAOYSA-N 0 0 288.297 3.209 20 10 CGCDRN COC(=O)Nc1cccc(NCc2ccc(N)cc2)c1 ZINC001578829584 962604413 /nfs/dbraw/zinc/60/44/13/962604413.db2.gz YCFQBAFOSQTBDK-UHFFFAOYSA-N 0 0 271.320 3.059 20 10 CGCDRN COCCOCc1ccc(NCc2ccc(N)cc2)cc1 ZINC001579073831 962612032 /nfs/dbraw/zinc/61/20/32/962612032.db2.gz LJXDWOPXUKNFMK-UHFFFAOYSA-N 0 0 286.375 3.044 20 10 CGCDRN Cc1cccn2cc(C(=O)N(C)c3ccc(N)cc3)cc12 ZINC001579806777 962677643 /nfs/dbraw/zinc/67/76/43/962677643.db2.gz MZZNIWOHQJQNRQ-UHFFFAOYSA-N 0 0 279.343 3.107 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccsc2)s1 ZINC001586479685 963110418 /nfs/dbraw/zinc/11/04/18/963110418.db2.gz VNFZCDKFFJDZMW-ARJAWSKDSA-N 0 0 264.375 3.189 20 10 CGCDRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(O)c1O ZINC001588269674 963263200 /nfs/dbraw/zinc/26/32/00/963263200.db2.gz VXZFSGZHFHPUND-GFCCVEGCSA-N 0 0 279.380 3.352 20 10 CGCDRN O=C([O-])C1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC001605990768 973051949 /nfs/dbraw/zinc/05/19/49/973051949.db2.gz ONWYOCHDWONUGC-UHFFFAOYSA-N 0 0 299.370 3.278 20 10 CGCDRN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccccc1O ZINC001595362818 980774984 /nfs/dbraw/zinc/77/49/84/980774984.db2.gz PWLKQVSVBAJOGH-INIZCTEOSA-N 0 0 299.370 3.430 20 10 CGCDRN C[C@H](c1ccccc1)[N@H+](CCC(=O)[O-])Cc1ccccc1O ZINC001593709677 996206095 /nfs/dbraw/zinc/20/60/95/996206095.db2.gz AVDHYGTXMGFORE-CQSZACIVSA-N 0 0 299.370 3.430 20 10 CGCDRN CCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647056 345185030 /nfs/dbraw/zinc/18/50/30/345185030.db2.gz CUXVKGQEENLKQN-GFCCVEGCSA-N 0 0 295.402 3.222 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)N1CCCCCC1 ZINC000064661267 345263954 /nfs/dbraw/zinc/26/39/54/345263954.db2.gz SZVWPTJCKDENPX-JTQLQIEISA-N 0 0 270.423 3.026 20 10 CGCDRN COc1cccc(CNc2ncc(Cl)cc2F)c1O ZINC000079298640 345635650 /nfs/dbraw/zinc/63/56/50/345635650.db2.gz GUKOJUZHIGGUSM-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN CN(C)c1ccc(CNc2ncccc2F)cc1F ZINC000084485193 345735212 /nfs/dbraw/zinc/73/52/12/345735212.db2.gz WJFPYOPZBNQYCT-UHFFFAOYSA-N 0 0 263.291 3.038 20 10 CGCDRN C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000187703058 299295547 /nfs/dbraw/zinc/29/55/47/299295547.db2.gz HHOBIFNTXHMPMY-NSHDSACASA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000287257110 296146047 /nfs/dbraw/zinc/14/60/47/296146047.db2.gz ZUNYCZGDHVQTEC-DTWKUNHWSA-N 0 0 291.222 3.300 20 10 CGCDRN CN1CCCc2cc(CNc3ccnc(C4CC4)n3)ccc21 ZINC000110382483 370380098 /nfs/dbraw/zinc/38/00/98/370380098.db2.gz PCMFGXAYKIMVGQ-UHFFFAOYSA-N 0 0 294.402 3.349 20 10 CGCDRN CC[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(F)cc1[O-] ZINC000287350922 371642393 /nfs/dbraw/zinc/64/23/93/371642393.db2.gz GTCNIWGUUAEZSV-AWEZNQCLSA-N 0 0 280.387 3.056 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000294745498 372670130 /nfs/dbraw/zinc/67/01/30/372670130.db2.gz RBJIMLVPYSYPCG-DZGCQCFKSA-N 0 0 299.773 3.328 20 10 CGCDRN CC1(C)OCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000294828411 372673871 /nfs/dbraw/zinc/67/38/71/372673871.db2.gz PTJBRQUMSDUDON-LLVKDONJSA-N 0 0 290.190 3.356 20 10 CGCDRN C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC000296512348 373159941 /nfs/dbraw/zinc/15/99/41/373159941.db2.gz PMTANHSAYGIWLV-SECBINFHSA-N 0 0 297.280 3.052 20 10 CGCDRN Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297293891 373264163 /nfs/dbraw/zinc/26/41/63/373264163.db2.gz VAJQYKCQJYPTLG-AWEZNQCLSA-N 0 0 282.387 3.387 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CC1 ZINC000298373298 373305648 /nfs/dbraw/zinc/30/56/48/373305648.db2.gz VNCGBCVYIQLQMG-UHFFFAOYSA-N 0 0 286.419 3.435 20 10 CGCDRN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(O)c1O ZINC000179406733 373870378 /nfs/dbraw/zinc/87/03/78/373870378.db2.gz ZOYXJWUHSBVORE-UHFFFAOYSA-N 0 0 297.354 3.308 20 10 CGCDRN Cc1scc(C(=O)N(C)Cc2ccccc2O)c1C ZINC000180375406 373996680 /nfs/dbraw/zinc/99/66/80/373996680.db2.gz OIDKNRXWDBXDEB-UHFFFAOYSA-N 0 0 275.373 3.343 20 10 CGCDRN CSC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180535054 374018167 /nfs/dbraw/zinc/01/81/67/374018167.db2.gz NXWJSNRAMUQWKO-LLVKDONJSA-N 0 0 271.813 3.373 20 10 CGCDRN C[C@H](c1ccccn1)N1CCOc2cc(N(C)C)ccc21 ZINC000181135475 374084958 /nfs/dbraw/zinc/08/49/58/374084958.db2.gz MCOOIENQPDRTOI-CYBMUJFWSA-N 0 0 283.375 3.108 20 10 CGCDRN C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC000181252286 374099030 /nfs/dbraw/zinc/09/90/30/374099030.db2.gz LPQDIYQMWHJHSM-PBYRWIMMSA-N 0 0 289.375 3.006 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(C(C)C)s2)c1 ZINC000181564803 374142506 /nfs/dbraw/zinc/14/25/06/374142506.db2.gz FYOYDPNTZSJXPQ-UHFFFAOYSA-N 0 0 263.366 3.288 20 10 CGCDRN CCN(C(=O)/C=C/c1scnc1C)c1ncccc1C ZINC000492623888 375449049 /nfs/dbraw/zinc/44/90/49/375449049.db2.gz ZSYXOOYCZVQODN-BQYQJAHWSA-N 0 0 287.388 3.221 20 10 CGCDRN C[C@@H](Sc1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000189838861 375452603 /nfs/dbraw/zinc/45/26/03/375452603.db2.gz PMGBQZJOLSDXBV-SECBINFHSA-N 0 0 299.442 3.400 20 10 CGCDRN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000529671098 375933488 /nfs/dbraw/zinc/93/34/88/375933488.db2.gz ZCMHVIMKUCIYMU-OCCSQVGLSA-N 0 0 287.762 3.230 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)[C@@H](C)C1 ZINC000247217386 377181159 /nfs/dbraw/zinc/18/11/59/377181159.db2.gz MFJXPGKGCGPNIZ-VNHYZAJKSA-N 0 0 290.407 3.358 20 10 CGCDRN CCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000267297111 378035000 /nfs/dbraw/zinc/03/50/00/378035000.db2.gz DTYRIGGGLIOXIB-UHFFFAOYSA-N 0 0 273.376 3.077 20 10 CGCDRN CCN(Cc1nc(C)cs1)c1ccc(OC)cc1 ZINC000268703788 378092788 /nfs/dbraw/zinc/09/27/88/378092788.db2.gz VXVIQVPZTLGRMQ-UHFFFAOYSA-N 0 0 262.378 3.487 20 10 CGCDRN C[C@H](CCO)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000271869482 378509853 /nfs/dbraw/zinc/50/98/53/378509853.db2.gz XIAWMOCVVGLAKP-GFCCVEGCSA-N 0 0 297.826 3.324 20 10 CGCDRN C[C@@H](CCO)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000271869484 378510712 /nfs/dbraw/zinc/51/07/12/378510712.db2.gz XIAWMOCVVGLAKP-LBPRGKRZSA-N 0 0 297.826 3.324 20 10 CGCDRN COc1cccc(C2([NH2+]Cc3cccc(F)c3[O-])CC2)c1 ZINC000272388260 378627376 /nfs/dbraw/zinc/62/73/76/378627376.db2.gz IPXHQVJHQRGCOT-UHFFFAOYSA-N 0 0 287.334 3.319 20 10 CGCDRN CCc1cnc(CN(C)Cc2cccc(F)c2O)s1 ZINC000272215812 378587026 /nfs/dbraw/zinc/58/70/26/378587026.db2.gz BFMDVVFCAWHLFW-UHFFFAOYSA-N 0 0 280.368 3.182 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273369845 378742585 /nfs/dbraw/zinc/74/25/85/378742585.db2.gz FUMWUGZODOIDLG-DTWKUNHWSA-N 0 0 290.190 3.386 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000273438562 378746509 /nfs/dbraw/zinc/74/65/09/378746509.db2.gz XVXAVERVYPMJRW-WDEREUQCSA-N 0 0 287.319 3.107 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273450636 378746776 /nfs/dbraw/zinc/74/67/76/378746776.db2.gz FWJUPPOMKADAMI-BMIGLBTASA-N 0 0 293.313 3.055 20 10 CGCDRN CCc1nnc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000274818369 378901808 /nfs/dbraw/zinc/90/18/08/378901808.db2.gz AVCIULCCEYKGNZ-LLVKDONJSA-N 0 0 290.436 3.017 20 10 CGCDRN C[C@]1(c2ccccc2)CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000376194486 379528245 /nfs/dbraw/zinc/52/82/45/379528245.db2.gz IQOVJUGWYSZBBC-IBGZPJMESA-N 0 0 294.398 3.002 20 10 CGCDRN COc1ccc(N(CCc2ccnn2C)C(C)C)cc1F ZINC000284539379 380141377 /nfs/dbraw/zinc/14/13/77/380141377.db2.gz XFRAUQHLAGSGLA-UHFFFAOYSA-N 0 0 291.370 3.025 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(F)cc1[O-] ZINC000286134135 380164211 /nfs/dbraw/zinc/16/42/11/380164211.db2.gz OREJPHJIVCGKLK-BONVTDFDSA-N 0 0 291.370 3.375 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286275219 380187659 /nfs/dbraw/zinc/18/76/59/380187659.db2.gz VNWRNSWIEAYTPS-DOMZBBRYSA-N 0 0 283.387 3.371 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1[O-] ZINC000286281980 380188219 /nfs/dbraw/zinc/18/82/19/380188219.db2.gz WAONSWMZJWTKSG-ZIAGYGMSSA-N 0 0 289.354 3.373 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(F)cc1[O-] ZINC000285545494 380150064 /nfs/dbraw/zinc/15/00/64/380150064.db2.gz GEECOYHHNPESEZ-CQSZACIVSA-N 0 0 290.338 3.176 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000286078825 380158976 /nfs/dbraw/zinc/15/89/76/380158976.db2.gz LLHJSUNBTRVBCZ-RNCFNFMXSA-N 0 0 263.316 3.056 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)CC3CC3)cc2)CC1 ZINC000108296047 392340675 /nfs/dbraw/zinc/34/06/75/392340675.db2.gz SGRJGBHPDRJNJD-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000287590505 392401468 /nfs/dbraw/zinc/40/14/68/392401468.db2.gz HYWFPLAJAWKLFU-ZWNOBZJWSA-N 0 0 271.788 3.105 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CCCO)c1cccc(Cl)c1[O-] ZINC000287702050 392403220 /nfs/dbraw/zinc/40/32/20/392403220.db2.gz NRBDLXDJUAMVPN-GXFFZTMASA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000370798580 392509090 /nfs/dbraw/zinc/50/90/90/392509090.db2.gz RADAYWBCTKNXCO-SFHVURJKSA-N 0 0 294.398 3.483 20 10 CGCDRN CCc1cc(N[C@H](C)c2cc(OC)ccc2O)nc(C)n1 ZINC000302030879 392607692 /nfs/dbraw/zinc/60/76/92/392607692.db2.gz BYORZRKNJKYSOP-SNVBAGLBSA-N 0 0 287.363 3.235 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)c(O)c1O ZINC000177666917 392665084 /nfs/dbraw/zinc/66/50/84/392665084.db2.gz CSCVYZXHWYDZEL-HNNXBMFYSA-N 0 0 297.354 3.384 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1O ZINC000193857543 392887951 /nfs/dbraw/zinc/88/79/51/392887951.db2.gz LQXCKIRGVUPKJP-UHFFFAOYSA-N 0 0 298.386 3.039 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(C)CCC1 ZINC000348633696 393125784 /nfs/dbraw/zinc/12/57/84/393125784.db2.gz FXJLOVOZNVUIKN-UHFFFAOYSA-N 0 0 270.376 3.293 20 10 CGCDRN CCC1(CC)CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000272749504 393264801 /nfs/dbraw/zinc/26/48/01/393264801.db2.gz NUOCAVIKALWKCG-UHFFFAOYSA-N 0 0 277.364 3.059 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044114 174051358 /nfs/dbraw/zinc/05/13/58/174051358.db2.gz LGXIKLCQXFIDGI-VIFPVBQESA-N 0 0 290.190 3.215 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nc(C2CC2)ns1 ZINC000301512695 227568431 /nfs/dbraw/zinc/56/84/31/227568431.db2.gz KYAQUCXCEZSQNZ-UHFFFAOYSA-N 0 0 288.420 3.402 20 10 CGCDRN C[C@@H]1CCC[C@H](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000070545835 260157420 /nfs/dbraw/zinc/15/74/20/260157420.db2.gz LDYZYDUKRPOWCB-ZIAGYGMSSA-N 0 0 274.408 3.144 20 10 CGCDRN Cc1c(/C=C/C(=O)N(C)c2cccc(C)c2C)cnn1C ZINC000160580435 261218768 /nfs/dbraw/zinc/21/87/68/261218768.db2.gz VRKFZXIRSITLCF-MDZDMXLPSA-N 0 0 283.375 3.022 20 10 CGCDRN Cc1ccc(C(=O)N(C)CCCc2ccccc2)c(O)c1O ZINC000182022628 261919783 /nfs/dbraw/zinc/91/97/83/261919783.db2.gz MDLYXDIZNCXCNV-UHFFFAOYSA-N 0 0 299.370 3.111 20 10 CGCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000182636840 261946664 /nfs/dbraw/zinc/94/66/64/261946664.db2.gz CGTKHRGULLDPQD-OLZOCXBDSA-N 0 0 262.397 3.051 20 10 CGCDRN C[C@@H](Nc1cnn(CC(F)F)c1)c1cc(F)ccc1O ZINC000186341938 262089464 /nfs/dbraw/zinc/08/94/64/262089464.db2.gz MSESOESOFRQVLZ-MRVPVSSYSA-N 0 0 285.269 3.166 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)OCCCF ZINC000497282603 262134052 /nfs/dbraw/zinc/13/40/52/262134052.db2.gz LWOIEYTVFFPYHE-UHFFFAOYSA-N 0 0 278.327 3.073 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185605952 262306357 /nfs/dbraw/zinc/30/63/57/262306357.db2.gz ISLXEAJDIJBENL-UONOGXRCSA-N 0 0 265.397 3.150 20 10 CGCDRN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000272273984 263003069 /nfs/dbraw/zinc/00/30/69/263003069.db2.gz LUKGSCJPQLMBPF-OAHLLOKOSA-N 0 0 274.339 3.207 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000272448118 263004536 /nfs/dbraw/zinc/00/45/36/263004536.db2.gz PJCOXIQCBHSCMW-CQSZACIVSA-N 0 0 273.307 3.014 20 10 CGCDRN C[C@]1([NH2+]Cc2cccc(Cl)c2[O-])CCO[C@@H]1C1CC1 ZINC000273199532 263013732 /nfs/dbraw/zinc/01/37/32/263013732.db2.gz RFNGALPDCVUUDN-CABCVRRESA-N 0 0 281.783 3.093 20 10 CGCDRN CCOc1cccc(CN2CC(OC(C)(C)CC)C2)c1O ZINC000529639268 270186692 /nfs/dbraw/zinc/18/66/92/270186692.db2.gz AFHPMUBNWDNVIH-UHFFFAOYSA-N 0 0 293.407 3.180 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1cccc(Cl)c1[O-] ZINC000287710201 276440587 /nfs/dbraw/zinc/44/05/87/276440587.db2.gz OBEKTGQKYUOWSS-BXUZGUMPSA-N 0 0 293.798 3.372 20 10 CGCDRN CC(C)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000193133021 279021030 /nfs/dbraw/zinc/02/10/30/279021030.db2.gz XJHOALGJBVHAET-LBPRGKRZSA-N 0 0 277.364 3.139 20 10 CGCDRN Cc1ccc(N(C)Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000180665252 329221839 /nfs/dbraw/zinc/22/18/39/329221839.db2.gz SZQLCMLEIZFAEM-UHFFFAOYSA-N 0 0 292.386 3.427 20 10 CGCDRN CCCCNC(=O)COc1ccc2c(c1)c(C)c(C)n2C ZINC000421207964 329805858 /nfs/dbraw/zinc/80/58/58/329805858.db2.gz XBPNZQPDJVEWPN-UHFFFAOYSA-N 0 0 288.391 3.090 20 10 CGCDRN CC[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472222996 331531995 /nfs/dbraw/zinc/53/19/95/331531995.db2.gz RQDTTYQORPUSHE-AWEZNQCLSA-N 0 0 299.418 3.428 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C)[C@H]1C ZINC000472232351 331532438 /nfs/dbraw/zinc/53/24/38/331532438.db2.gz XDARZEIBOWGACM-GXTWGEPZSA-N 0 0 299.418 3.427 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccccc1 ZINC000492494789 332400047 /nfs/dbraw/zinc/40/00/47/332400047.db2.gz SLNKLYYONSCEBI-CMDGGOBGSA-N 0 0 252.317 3.066 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000529667836 333504861 /nfs/dbraw/zinc/50/48/61/333504861.db2.gz ABWKBRYYQHGIJG-XULOGPSESA-N 0 0 287.762 3.086 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1CCCC1 ZINC000183419261 518177547 /nfs/dbraw/zinc/17/75/47/518177547.db2.gz VINWSPKVYCZAKB-LBPRGKRZSA-N 0 0 291.391 3.115 20 10 CGCDRN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278375229 519795891 /nfs/dbraw/zinc/79/58/91/519795891.db2.gz COYIAJFURWHYNW-QPUJVOFHSA-N 0 0 292.206 3.367 20 10 CGCDRN CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000263722809 520225999 /nfs/dbraw/zinc/22/59/99/520225999.db2.gz OAJIWJPIPBCYHU-UHFFFAOYSA-N 0 0 286.419 3.483 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000073433841 520284884 /nfs/dbraw/zinc/28/48/84/520284884.db2.gz MFPWUAPJUDHNHQ-GFCCVEGCSA-N 0 0 294.395 3.169 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CCOC(C)C ZINC000282399361 520546835 /nfs/dbraw/zinc/54/68/35/520546835.db2.gz FDVSRDNCWMAEBY-UHFFFAOYSA-N 0 0 293.407 3.336 20 10 CGCDRN CCCN(CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000299413270 521599150 /nfs/dbraw/zinc/59/91/50/521599150.db2.gz HWCTYMGUGOFXML-UHFFFAOYSA-N 0 0 289.423 3.011 20 10 CGCDRN CCc1nnc(CN[C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000290184777 522748479 /nfs/dbraw/zinc/74/84/79/522748479.db2.gz NWRLWNXKXZQBRT-LLVKDONJSA-N 0 0 291.420 3.274 20 10 CGCDRN CN1CCCN(C(=O)/C=C/c2cncs2)c2ccccc21 ZINC000281446691 523800765 /nfs/dbraw/zinc/80/07/65/523800765.db2.gz AATYFUGSWBUYNV-BQYQJAHWSA-N 0 0 299.399 3.029 20 10 CGCDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000062744803 524089630 /nfs/dbraw/zinc/08/96/30/524089630.db2.gz FDCDHIJDRJDZRF-LLVKDONJSA-N 0 0 275.323 3.391 20 10 CGCDRN COc1ccc(N(C)Cc2n[nH]cc2C)cc1Cl ZINC000290962350 524356156 /nfs/dbraw/zinc/35/61/56/524356156.db2.gz WLHPPBWFZXZDMG-UHFFFAOYSA-N 0 0 265.744 3.017 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC1(F)F ZINC000291564672 525005345 /nfs/dbraw/zinc/00/53/45/525005345.db2.gz NIHQPZHRMSTTOP-SECBINFHSA-N 0 0 259.271 3.008 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000291664345 526328572 /nfs/dbraw/zinc/32/85/72/526328572.db2.gz VPSCSPAHDZVVMJ-HNNXBMFYSA-N 0 0 261.340 3.296 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000365166016 526347056 /nfs/dbraw/zinc/34/70/56/526347056.db2.gz DLPFAGUVVJUMAY-LLVKDONJSA-N 0 0 295.745 3.075 20 10 CGCDRN Oc1cccc(Cl)c1CNCC(F)(F)C(F)F ZINC000236590685 526363339 /nfs/dbraw/zinc/36/33/39/526363339.db2.gz JSYHDZLOCZIXPP-UHFFFAOYSA-N 0 0 271.641 3.036 20 10 CGCDRN O=C(NCc1ccccc1O)C1(c2cccc(F)c2)CCC1 ZINC000267419247 526753356 /nfs/dbraw/zinc/75/33/56/526753356.db2.gz 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0 0 296.294 3.351 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1C[C@H]1c1ccco1 ZINC000890762485 617818381 /nfs/dbraw/zinc/81/83/81/617818381.db2.gz DXNWBXKEUJLVQK-GHMZBOCLSA-N 0 0 291.734 3.059 20 10 CGCDRN Cc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000049803674 617938077 /nfs/dbraw/zinc/93/80/77/617938077.db2.gz KFABJEHFICPFBB-SOFGYWHQSA-N 0 0 269.300 3.058 20 10 CGCDRN Nc1ccc(CCNC(=O)/C=C\C2CCCCC2)cc1 ZINC000255417599 618414597 /nfs/dbraw/zinc/41/45/97/618414597.db2.gz MJPYERFNXMNQGF-FLIBITNWSA-N 0 0 272.392 3.064 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1c(F)cccc1Cl ZINC000176771965 618698647 /nfs/dbraw/zinc/69/86/47/618698647.db2.gz YSIBYBJMGVNNKZ-UHFFFAOYSA-N 0 0 293.725 3.457 20 10 CGCDRN CC(C)=C(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554422 618707403 /nfs/dbraw/zinc/70/74/03/618707403.db2.gz ACBXNVYXLUOZHW-CQSZACIVSA-N 0 0 288.435 3.465 20 10 CGCDRN Cc1cc(=O)[nH]c([C@@H](C)Sc2ncc(Cl)s2)n1 ZINC000850000330 618753978 /nfs/dbraw/zinc/75/39/78/618753978.db2.gz QJYVFVHQQYRWPY-ZCFIWIBFSA-N 0 0 287.797 3.454 20 10 CGCDRN Cc1nc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2o1 ZINC000179414383 618783354 /nfs/dbraw/zinc/78/33/54/618783354.db2.gz HTHLGXXEQKSFHM-UHFFFAOYSA-N 0 0 298.298 3.108 20 10 CGCDRN Cc1ccc(C(=O)Nc2cnc3ccccc3c2)c(O)c1O ZINC000177667194 618834678 /nfs/dbraw/zinc/83/46/78/618834678.db2.gz WUYCJEROKSLXCH-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN CC1(C)CCC[C@](O)(C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000783737080 618916946 /nfs/dbraw/zinc/91/69/46/618916946.db2.gz YSJWRSSTGWRNGX-MRXNPFEDSA-N 0 0 297.826 3.467 20 10 CGCDRN C[C@H](Cc1ccco1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311987256 618985405 /nfs/dbraw/zinc/98/54/05/618985405.db2.gz DWYUUVZKDMCTPM-RISCZKNCSA-N 0 0 257.333 3.193 20 10 CGCDRN Cc1cc(C#N)ccc1CN(C)c1ccc2c(c1)OCO2 ZINC000186313233 619069219 /nfs/dbraw/zinc/06/92/19/619069219.db2.gz VXRYRFBOTUDCRD-UHFFFAOYSA-N 0 0 280.327 3.232 20 10 CGCDRN Cc1cc(Br)cc(CN(C)CC(F)F)c1O ZINC000162495808 619094030 /nfs/dbraw/zinc/09/40/30/619094030.db2.gz FOOYVHJLWWUWLM-UHFFFAOYSA-N 0 0 294.139 3.160 20 10 CGCDRN Cc1ccc(C=C2SC(=S)NC2=O)cc1Cl ZINC000193742287 619131912 /nfs/dbraw/zinc/13/19/12/619131912.db2.gz GYJYXJVRCXQGNY-WEVVVXLNSA-N 0 0 269.778 3.137 20 10 CGCDRN Cc1cc(Cl)cc(CN[C@H](C)c2csnn2)c1O ZINC000840970829 619297227 /nfs/dbraw/zinc/29/72/27/619297227.db2.gz XFDRYIFWFZTRLD-MRVPVSSYSA-N 0 0 283.784 3.056 20 10 CGCDRN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000893910250 619331037 /nfs/dbraw/zinc/33/10/37/619331037.db2.gz ZGAUOBYQPREBIX-OAHLLOKOSA-N 0 0 292.329 3.346 20 10 CGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])C(C1CC1)C1CC1 ZINC000893983392 619346549 /nfs/dbraw/zinc/34/65/49/619346549.db2.gz BGAYBSGQGGJLFP-UHFFFAOYSA-N 0 0 267.319 3.291 20 10 CGCDRN COc1ccc(N(C)Cc2nocc2C)cc1Cl ZINC000878186346 619421817 /nfs/dbraw/zinc/42/18/17/619421817.db2.gz JVCVYJMSTOPJMQ-UHFFFAOYSA-N 0 0 266.728 3.281 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccc(Cl)cc1 ZINC000082286940 625347203 /nfs/dbraw/zinc/34/72/03/625347203.db2.gz VTLLOUJUKHDJKF-UHFFFAOYSA-N 0 0 276.723 3.367 20 10 CGCDRN O=C1/C(=C/c2ccccc2F)SC(=S)N1C1CC1 ZINC000048402596 619490449 /nfs/dbraw/zinc/49/04/49/619490449.db2.gz QXIJXQXUWMICAZ-XFFZJAGNSA-N 0 0 279.361 3.189 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)NC1CCC(C)CC1 ZINC000048875907 619649074 /nfs/dbraw/zinc/64/90/74/619649074.db2.gz GRNOCTFKGABASG-HSOILSAZSA-N 0 0 284.450 3.319 20 10 CGCDRN COc1cc(OC)c(OC)cc1CSc1nccs1 ZINC000895123653 619741497 /nfs/dbraw/zinc/74/14/97/619741497.db2.gz HRQHYSZMICKQNC-UHFFFAOYSA-N 0 0 297.401 3.461 20 10 CGCDRN CC[C@H]1CC[C@H](C(=O)NCCc2ccc(N)cc2)CC1 ZINC000262164254 619762247 /nfs/dbraw/zinc/76/22/47/619762247.db2.gz HESZAWCUKUBPHQ-CTYIDZIISA-N 0 0 274.408 3.144 20 10 CGCDRN C[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895462319 619833931 /nfs/dbraw/zinc/83/39/31/619833931.db2.gz MJPAHXJPRSZLCG-SECBINFHSA-N 0 0 291.372 3.327 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(F)CC1 ZINC000895547038 619843699 /nfs/dbraw/zinc/84/36/99/619843699.db2.gz IRHAMZNYXZWTHA-UHFFFAOYSA-N 0 0 261.699 3.119 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844426 619893289 /nfs/dbraw/zinc/89/32/89/619893289.db2.gz FOTGYTBAMMZKMT-BONVTDFDSA-N 0 0 299.773 3.186 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845687 619893928 /nfs/dbraw/zinc/89/39/28/619893928.db2.gz HWNISKVQDZUGFF-SMDDNHRTSA-N 0 0 281.783 3.047 20 10 CGCDRN Oc1cccc(F)c1CNc1cc(Cl)nc(C2CC2)n1 ZINC000895833194 619894278 /nfs/dbraw/zinc/89/42/78/619894278.db2.gz VVLNYAAOWAJQHD-UHFFFAOYSA-N 0 0 293.729 3.464 20 10 CGCDRN Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1c([O-])cccc1F ZINC000896640507 620041441 /nfs/dbraw/zinc/04/14/41/620041441.db2.gz RCMDDGNMYSTNLP-UHFFFAOYSA-N 0 0 291.370 3.215 20 10 CGCDRN CC1(C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896737762 620053438 /nfs/dbraw/zinc/05/34/38/620053438.db2.gz DQWHJNFHTUUVEM-UHFFFAOYSA-N 0 0 291.372 3.185 20 10 CGCDRN COC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(C)o1 ZINC000185630312 625399503 /nfs/dbraw/zinc/39/95/03/625399503.db2.gz HTXXKEHXHOIZLN-BXUZGUMPSA-N 0 0 293.338 3.471 20 10 CGCDRN C/C(=C\c1ccc(N(C)C)cc1C)c1cnccn1 ZINC000840720059 620189641 /nfs/dbraw/zinc/18/96/41/620189641.db2.gz LASUERDEEROULK-UKTHLTGXSA-N 0 0 253.349 3.412 20 10 CGCDRN C[C@@H]1CC2(CC([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2)CO1 ZINC000897776585 620427698 /nfs/dbraw/zinc/42/76/98/620427698.db2.gz SYPTXBPAXRZYOC-IWPPJYEWSA-N 0 0 299.773 3.232 20 10 CGCDRN CN(Cc1cc2ccccc2o1)C(=O)c1cccc(O)c1O ZINC000185787877 625440561 /nfs/dbraw/zinc/44/05/61/625440561.db2.gz MVWGQHFDSWECHM-UHFFFAOYSA-N 0 0 297.310 3.116 20 10 CGCDRN Cc1ccc(O)c(CNc2cnc(C(C)C)nc2)c1 ZINC000902250436 621221986 /nfs/dbraw/zinc/22/19/86/621221986.db2.gz UTGLEXHBMSETKH-UHFFFAOYSA-N 0 0 257.337 3.226 20 10 CGCDRN O=C(NCc1ccccc1O)C1(C2CCCCC2)CC1 ZINC000907056037 622279774 /nfs/dbraw/zinc/27/97/74/622279774.db2.gz JKFUDPCFDAXFNR-UHFFFAOYSA-N 0 0 273.376 3.369 20 10 CGCDRN Cc1ccc(O)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000907491104 622299932 /nfs/dbraw/zinc/29/99/32/622299932.db2.gz 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0 289.762 3.247 20 10 CGCDRN Cc1ccnc(CNC(=S)Nc2cc(C)ccc2C)c1 ZINC000242496607 624933830 /nfs/dbraw/zinc/93/38/30/624933830.db2.gz BSMKKLAYLIHFRC-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC2)cc1 ZINC000070715606 625030091 /nfs/dbraw/zinc/03/00/91/625030091.db2.gz ATEIYCDQCTZLTG-UHFFFAOYSA-N 0 0 268.360 3.330 20 10 CGCDRN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182830136 625031716 /nfs/dbraw/zinc/03/17/16/625031716.db2.gz IDWPIJHXVRQENA-BXUZGUMPSA-N 0 0 291.391 3.447 20 10 CGCDRN C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000184005471 625191368 /nfs/dbraw/zinc/19/13/68/625191368.db2.gz YYEHLQYZPJBQNW-NSHDSACASA-N 0 0 271.335 3.349 20 10 CGCDRN Cc1cncc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000186191656 625748216 /nfs/dbraw/zinc/74/82/16/625748216.db2.gz PBRJZCGTGMSOGD-NSHDSACASA-N 0 0 260.312 3.086 20 10 CGCDRN C[C@H](Nc1cnn(CC2CC2)c1)c1ccc(F)cc1O ZINC000186358176 625794678 /nfs/dbraw/zinc/79/46/78/625794678.db2.gz UCUVVVWVMJAHNX-JTQLQIEISA-N 0 0 275.327 3.311 20 10 CGCDRN O=C(NCc1c(O)cccc1F)NC1CCC2(CC2)CC1 ZINC000922203558 625983184 /nfs/dbraw/zinc/98/31/84/625983184.db2.gz CJBQHGOKICLLRC-UHFFFAOYSA-N 0 0 292.354 3.053 20 10 CGCDRN CCCc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000186838585 626076661 /nfs/dbraw/zinc/07/66/61/626076661.db2.gz QDVTVAYVROLUQJ-XFXZXTDPSA-N 0 0 277.414 3.470 20 10 CGCDRN CCC(CC)[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756568104 626096563 /nfs/dbraw/zinc/09/65/63/626096563.db2.gz BDMXTAZXTCCDTF-YMTOWFKASA-N 0 0 287.350 3.118 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000922968759 626112077 /nfs/dbraw/zinc/11/20/77/626112077.db2.gz PQYUTRXDESUODW-ZDUSSCGKSA-N 0 0 297.345 3.252 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000922968758 626112389 /nfs/dbraw/zinc/11/23/89/626112389.db2.gz PQYUTRXDESUODW-CYBMUJFWSA-N 0 0 297.345 3.252 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccc(F)cc1[O-] ZINC000840821964 626348748 /nfs/dbraw/zinc/34/87/48/626348748.db2.gz 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/nfs/dbraw/zinc/45/61/49/626456149.db2.gz KRSYRJUPHDBIBH-UHFFFAOYSA-N 0 0 287.334 3.125 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCc3cccc(F)c32)cn1 ZINC000754365397 626569308 /nfs/dbraw/zinc/56/93/08/626569308.db2.gz DTUSCXATZKUGSE-BQYQJAHWSA-N 0 0 282.318 3.132 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756344205 626693819 /nfs/dbraw/zinc/69/38/19/626693819.db2.gz SEHNZCSTVSNIQN-VHSXEESVSA-N 0 0 278.302 3.477 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756382208 626698786 /nfs/dbraw/zinc/69/87/86/626698786.db2.gz AIXHGFTZTKBMDJ-JTQLQIEISA-N 0 0 290.294 3.290 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000756635878 626722810 /nfs/dbraw/zinc/72/28/10/626722810.db2.gz BIYZHCWOPMALBA-JMPLFQLZSA-N 0 0 299.361 3.262 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000756660316 626725565 /nfs/dbraw/zinc/72/55/65/626725565.db2.gz VONIQYIMNYCONM-GXFFZTMASA-N 0 0 297.370 3.302 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756678748 626726743 /nfs/dbraw/zinc/72/67/43/626726743.db2.gz YFYKOLBZGCRCEX-OUAUKWLOSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756734556 626728484 /nfs/dbraw/zinc/72/84/84/626728484.db2.gz XADAJJIKTHFKBB-BONVTDFDSA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1 ZINC000756782354 626731900 /nfs/dbraw/zinc/73/19/00/626731900.db2.gz AUDSXVPGHJNPAZ-UWVGGRQHSA-N 0 0 275.308 3.040 20 10 CGCDRN C[C@@H]([NH2+]CCOC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756816916 626734361 /nfs/dbraw/zinc/73/43/61/626734361.db2.gz CYANRXXWFDWBNJ-SECBINFHSA-N 0 0 273.323 3.136 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)ccc1Cl ZINC000124865987 634521321 /nfs/dbraw/zinc/52/13/21/634521321.db2.gz PYFPBFZGQPRPHW-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN C[C@]1(CCNC(=O)C2=CC(=O)CS2)CC1(Cl)Cl ZINC000839785584 626788671 /nfs/dbraw/zinc/78/86/71/626788671.db2.gz HBKGJWCQEMFAKL-JTQLQIEISA-N 0 0 294.203 3.158 20 10 CGCDRN COc1ccc(COc2ccc(N(C)C)cc2)cc1F ZINC000757718376 626803836 /nfs/dbraw/zinc/80/38/36/626803836.db2.gz RPBFMOOKAKFFTL-UHFFFAOYSA-N 0 0 275.323 3.479 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC23CCCC3)c1[O-] ZINC000758525732 626847813 /nfs/dbraw/zinc/84/78/13/626847813.db2.gz OWINACRIVZJSEV-GFCCVEGCSA-N 0 0 296.754 3.376 20 10 CGCDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)C2=CC(=O)CS2)C1 ZINC000758695757 626854795 /nfs/dbraw/zinc/85/47/95/626854795.db2.gz OSVQJLYWDLSZNS-MFKMUULPSA-N 0 0 288.372 3.072 20 10 CGCDRN CCCC(C)(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874256700 634528752 /nfs/dbraw/zinc/52/87/52/634528752.db2.gz LMMPJZXIVNLYHG-UHFFFAOYSA-N 0 0 276.340 3.158 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000758725558 626857060 /nfs/dbraw/zinc/85/70/60/626857060.db2.gz WDHDFFUPVJDLLH-BBBLOLIVSA-N 0 0 253.367 3.008 20 10 CGCDRN CCCC1(C(=O)N(C)Cc2ccccc2O)CCC1 ZINC000759222645 626882536 /nfs/dbraw/zinc/88/25/36/626882536.db2.gz CYKCUTGOHYHDLH-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCCCO2)cc1 ZINC000759933807 626931914 /nfs/dbraw/zinc/93/19/14/626931914.db2.gz QBUVBSUJANINPH-MRXNPFEDSA-N 0 0 263.381 3.479 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1cccnc1 ZINC000761749829 627059261 /nfs/dbraw/zinc/05/92/61/627059261.db2.gz HWUNPAAUYOLSAE-KTKRTIGZSA-N 0 0 296.370 3.239 20 10 CGCDRN C/C=C(/C=C/C(=O)N[C@H](C)c1cc(OC)ccc1O)CC ZINC000761983568 627077956 /nfs/dbraw/zinc/07/79/56/627077956.db2.gz UDWNDYLTGNNSFO-IOCBCWELSA-N 0 0 289.375 3.491 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C=C2CCCCC2)c1 ZINC000762805559 627125370 /nfs/dbraw/zinc/12/53/70/627125370.db2.gz LSYALEXEACZQSB-GFCCVEGCSA-N 0 0 289.375 3.469 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cnc(N)s2)cc1 ZINC000763546749 627166422 /nfs/dbraw/zinc/16/64/22/627166422.db2.gz UOGUHGFKJBSJKO-UHFFFAOYSA-N 0 0 277.393 3.149 20 10 CGCDRN Cc1ccc(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC000765656298 627265954 /nfs/dbraw/zinc/26/59/54/627265954.db2.gz SFOBCRSISNSEHX-UHFFFAOYSA-N 0 0 272.348 3.053 20 10 CGCDRN COc1ccc(C[N@H+](C)Cc2c(O)cccc2OC)cc1 ZINC000768161695 627464459 /nfs/dbraw/zinc/46/44/59/627464459.db2.gz WSQUYGXTZHWLED-UHFFFAOYSA-N 0 0 287.359 3.041 20 10 CGCDRN CCOc1ccc(N(CC)C[C@H]2CCCOC2)cc1 ZINC000768541235 627485342 /nfs/dbraw/zinc/48/53/42/627485342.db2.gz GXTGTGSHNJWFTE-CQSZACIVSA-N 0 0 263.381 3.338 20 10 CGCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)C1=CC(=O)CS1 ZINC000768735972 627495650 /nfs/dbraw/zinc/49/56/50/627495650.db2.gz QDOZYCCIRFKGAM-CYBMUJFWSA-N 0 0 287.384 3.431 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000769328329 627541984 /nfs/dbraw/zinc/54/19/84/627541984.db2.gz FZLGUFKGKAIXEQ-GFCCVEGCSA-N 0 0 296.754 3.328 20 10 CGCDRN CC1=CC[N@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000769445641 627552744 /nfs/dbraw/zinc/55/27/44/627552744.db2.gz JGOYUTLOQUTELZ-UHFFFAOYSA-N 0 0 282.181 3.307 20 10 CGCDRN CC1(C)[C@@H]2C[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]21 ZINC000769487084 627559469 /nfs/dbraw/zinc/55/94/69/627559469.db2.gz HLJICQHATWCQDA-PHIMTYICSA-N 0 0 296.754 3.042 20 10 CGCDRN CC(C)=CCSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000772264590 627779289 /nfs/dbraw/zinc/77/92/89/627779289.db2.gz DKDJHODNMUQYHR-UHFFFAOYSA-N 0 0 292.448 3.068 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCCCS1)c1ccc(N(C)C)cc1 ZINC000772997356 627839538 /nfs/dbraw/zinc/83/95/38/627839538.db2.gz HHFZSOPFSXKBIS-WFASDCNBSA-N 0 0 292.448 3.216 20 10 CGCDRN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773019552 627843338 /nfs/dbraw/zinc/84/33/38/627843338.db2.gz YXJRUAFSYRQXKL-OLZOCXBDSA-N 0 0 262.397 3.366 20 10 CGCDRN C[C@@H](NCc1ccn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000773134772 627860883 /nfs/dbraw/zinc/86/08/83/627860883.db2.gz ZRIPMLOQXZMNEG-OAHLLOKOSA-N 0 0 298.434 3.261 20 10 CGCDRN C[C@H](NC(=O)N1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773616451 627900451 /nfs/dbraw/zinc/90/04/51/627900451.db2.gz KTPVPRAOURJZAE-KGLIPLIRSA-N 0 0 289.423 3.398 20 10 CGCDRN C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773621665 627900713 /nfs/dbraw/zinc/90/07/13/627900713.db2.gz ZYVPGSCYKOELDD-MGPQQGTHSA-N 0 0 289.423 3.254 20 10 CGCDRN CCN(C)c1ccc(CN2CCC[C@H]2C(F)F)cc1 ZINC000773811911 627916922 /nfs/dbraw/zinc/91/69/22/627916922.db2.gz DTILPSQJBIDDIU-AWEZNQCLSA-N 0 0 268.351 3.372 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269220 627970759 /nfs/dbraw/zinc/97/07/59/627970759.db2.gz JVTBDXSYKCJWBZ-YUMQZZPRSA-N 0 0 276.163 3.139 20 10 CGCDRN CCCCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774952265 628050391 /nfs/dbraw/zinc/05/03/91/628050391.db2.gz GIOGINQBHVRVOD-NSHDSACASA-N 0 0 296.367 3.367 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000775664571 628121954 /nfs/dbraw/zinc/12/19/54/628121954.db2.gz YQUBUFNHTMTNLG-LBPRGKRZSA-N 0 0 287.762 3.186 20 10 CGCDRN CC[C@]1(C)COCCN1Cc1cc(Cl)cc(C)c1O ZINC000775980103 628154762 /nfs/dbraw/zinc/15/47/62/628154762.db2.gz CHEBGOZALUOSDO-OAHLLOKOSA-N 0 0 283.799 3.355 20 10 CGCDRN CC[C@@]1(C)COCCN1Cc1cc(Cl)cc(C)c1O ZINC000775980102 628155154 /nfs/dbraw/zinc/15/51/54/628155154.db2.gz CHEBGOZALUOSDO-HNNXBMFYSA-N 0 0 283.799 3.355 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]1C(C)C ZINC000776045987 628160952 /nfs/dbraw/zinc/16/09/52/628160952.db2.gz VYTMRJLVIQPFRN-INIZCTEOSA-N 0 0 289.423 3.001 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCSC1 ZINC000776230858 628183040 /nfs/dbraw/zinc/18/30/40/628183040.db2.gz AZXJBJFKBFIHBK-JTQLQIEISA-N 0 0 275.776 3.170 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000776251709 628184701 /nfs/dbraw/zinc/18/47/01/628184701.db2.gz UUUCWKXDJLQCJT-GFCCVEGCSA-N 0 0 295.745 3.075 20 10 CGCDRN CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000776646549 628224384 /nfs/dbraw/zinc/22/43/84/628224384.db2.gz YLRXROZNNSFQRR-WCQYABFASA-N 0 0 277.364 3.187 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H](C)[C@@H](F)C2)c1O ZINC000778237516 628337404 /nfs/dbraw/zinc/33/74/04/628337404.db2.gz PXSZHSGOWNBCIR-XPTSAGLGSA-N 0 0 299.773 3.428 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(-n2ccnc2)cc1 ZINC000779037332 628384725 /nfs/dbraw/zinc/38/47/25/628384725.db2.gz YYNGJTLDPJYIIV-UHFFFAOYSA-N 0 0 283.306 3.329 20 10 CGCDRN C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1F ZINC000779151493 628390972 /nfs/dbraw/zinc/39/09/72/628390972.db2.gz YVBSLWLOWFANCJ-BXKDBHETSA-N 0 0 257.736 3.226 20 10 CGCDRN C[C@H]1CCN(Cc2c(O)cccc2Cl)C[C@@H]1F ZINC000779151516 628391033 /nfs/dbraw/zinc/39/10/33/628391033.db2.gz ZLKSRUSEQWRQDO-CABZTGNLSA-N 0 0 257.736 3.226 20 10 CGCDRN COc1cccc2ncnc(Sc3nccs3)c21 ZINC000779428161 628412746 /nfs/dbraw/zinc/41/27/46/628412746.db2.gz HCCZQLZJNZSCKN-UHFFFAOYSA-N 0 0 275.358 3.246 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]1c1ccccc1 ZINC000779495466 628415574 /nfs/dbraw/zinc/41/55/74/628415574.db2.gz FPLNKBDLAFMBJA-LOWQCSRCSA-N 0 0 295.338 3.085 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1c(O)cccc1OC ZINC000780766100 628515051 /nfs/dbraw/zinc/51/50/51/628515051.db2.gz FPEGLTASKKOKLT-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCC=C(F)C2)c1O ZINC000780895440 628522803 /nfs/dbraw/zinc/52/28/03/628522803.db2.gz TVBVFPOBPBZYCY-UHFFFAOYSA-N 0 0 255.720 3.413 20 10 CGCDRN COc1ccc(O)c(CN2CCc3cccc(C)c32)c1 ZINC000780896039 628522978 /nfs/dbraw/zinc/52/29/78/628522978.db2.gz BUJMQGYYBDOQFB-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN CC/C(C)=C(/C)C(=O)NCCCSc1nccs1 ZINC000780938851 628524999 /nfs/dbraw/zinc/52/49/99/628524999.db2.gz FLJZLWKJJYHTKG-KHPPLWFESA-N 0 0 284.450 3.488 20 10 CGCDRN CCc1cc(N(C)Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC000782133878 628617466 /nfs/dbraw/zinc/61/74/66/628617466.db2.gz XGIHFOASHLBFIL-UHFFFAOYSA-N 0 0 284.407 3.050 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N(C1CC1)C1CC1 ZINC000875099683 634677192 /nfs/dbraw/zinc/67/71/92/634677192.db2.gz WCZIVKJXCIFKIF-UHFFFAOYSA-N 0 0 299.418 3.123 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000783970501 628761675 /nfs/dbraw/zinc/76/16/75/628761675.db2.gz FZEOYWIKIVRGKL-WBTMPAOCSA-N 0 0 294.354 3.217 20 10 CGCDRN CC(C)[C@@H](F)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000784148905 628787310 /nfs/dbraw/zinc/78/73/10/628787310.db2.gz CUORZNNCDCTIIH-MRXNPFEDSA-N 0 0 292.398 3.287 20 10 CGCDRN CCOc1ccc(N(C)Cc2nnc(CC)s2)cc1 ZINC000784155816 628788734 /nfs/dbraw/zinc/78/87/34/628788734.db2.gz YYGGUGWIZLZOCR-UHFFFAOYSA-N 0 0 277.393 3.136 20 10 CGCDRN CO[C@H]1Cc2ccc(NCc3ccccc3O)cc2C1 ZINC000784631103 628826332 /nfs/dbraw/zinc/82/63/32/628826332.db2.gz UYMAXULMHVSWIS-INIZCTEOSA-N 0 0 269.344 3.118 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)OCC2CC2)cc1F ZINC000785041541 628848952 /nfs/dbraw/zinc/84/89/52/628848952.db2.gz FVOPZFVWWTXHRR-UHFFFAOYSA-N 0 0 294.370 3.308 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000785826953 628890372 /nfs/dbraw/zinc/89/03/72/628890372.db2.gz NABWREXYLCBDIT-UHFFFAOYSA-N 0 0 270.376 3.485 20 10 CGCDRN CO[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788754257 629078614 /nfs/dbraw/zinc/07/86/14/629078614.db2.gz AWBXVWYWRXUZFC-BDAKNGLRSA-N 0 0 277.286 3.097 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CC[C@@H](C)O1 ZINC000789362387 629127644 /nfs/dbraw/zinc/12/76/44/629127644.db2.gz JLOBMNIEIAITBJ-CJNGLKHVSA-N 0 0 275.392 3.405 20 10 CGCDRN CC(C)(C)C1CC(NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875620588 634715992 /nfs/dbraw/zinc/71/59/92/634715992.db2.gz MOTNBSAFYGPUIW-UHFFFAOYSA-N 0 0 288.391 3.242 20 10 CGCDRN CC(C)=CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000790501095 629214094 /nfs/dbraw/zinc/21/40/94/629214094.db2.gz FXZOUYOWJDPRRI-ZDUSSCGKSA-N 0 0 275.396 3.079 20 10 CGCDRN CCC[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000790642979 629222339 /nfs/dbraw/zinc/22/23/39/629222339.db2.gz KKHPVAJRJLPNTQ-CQSZACIVSA-N 0 0 299.370 3.239 20 10 CGCDRN C[C@@H]1CCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790960548 629243543 /nfs/dbraw/zinc/24/35/43/629243543.db2.gz VTCGYQBQFROASU-LDYMZIIASA-N 0 0 257.736 3.463 20 10 CGCDRN C[C@@H]1C[C@@H](C)N1Cc1cc(F)c(N(C)C)cc1F ZINC000862350908 629345982 /nfs/dbraw/zinc/34/59/82/629345982.db2.gz IUXUXMVUNWWEKJ-NXEZZACHSA-N 0 0 254.324 3.014 20 10 CGCDRN CO[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1C ZINC000792180389 629345960 /nfs/dbraw/zinc/34/59/60/629345960.db2.gz QZTPCWAXEPSXOM-ZANVPECISA-N 0 0 287.762 3.042 20 10 CGCDRN Cc1nc2c(cccc2C(=O)N(C)Cc2ccccc2O)o1 ZINC000792226774 629350311 /nfs/dbraw/zinc/35/03/11/629350311.db2.gz WSSBTHFFDVPLKZ-UHFFFAOYSA-N 0 0 296.326 3.114 20 10 CGCDRN Oc1cc(F)c(Cl)cc1Cn1cnc2c1CCCC2 ZINC000862431013 629370290 /nfs/dbraw/zinc/37/02/90/629370290.db2.gz BENQVWXYJTXMOE-UHFFFAOYSA-N 0 0 280.730 3.308 20 10 CGCDRN CCC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OCC ZINC000862434902 629371739 /nfs/dbraw/zinc/37/17/39/629371739.db2.gz KBXALNGGZVIGPR-GFCCVEGCSA-N 0 0 289.778 3.480 20 10 CGCDRN COc1ccc(CNC(=O)N[C@H](C)CCC(C)C)c(O)c1 ZINC000792776259 629380632 /nfs/dbraw/zinc/38/06/32/629380632.db2.gz FPLVSWPVLIFYLR-GFCCVEGCSA-N 0 0 294.395 3.025 20 10 CGCDRN CC(C)C1C[NH+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000793189909 629425944 /nfs/dbraw/zinc/42/59/44/629425944.db2.gz PQKOWGKSQSATAV-UHFFFAOYSA-N 0 0 257.736 3.273 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)C2CCC2)c1 ZINC000862754633 629429086 /nfs/dbraw/zinc/42/90/86/629429086.db2.gz HTQHFKVVWBQHKN-UHFFFAOYSA-N 0 0 261.365 3.143 20 10 CGCDRN C/C(=C/C(=O)NCc1cc(C)ccc1O)C(C)(C)C ZINC000862754429 629429127 /nfs/dbraw/zinc/42/91/27/629429127.db2.gz XSIZZOJJYAXCNW-XFXZXTDPSA-N 0 0 261.365 3.309 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(C)CC=C(C)CC2)c1 ZINC000862754238 629429182 /nfs/dbraw/zinc/42/91/82/629429182.db2.gz VPDXFJLGYWXRMR-KRWDZBQOSA-N 0 0 273.376 3.453 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC2(C)C)c1 ZINC000862756968 629429908 /nfs/dbraw/zinc/42/99/08/629429908.db2.gz CCURUAHQFPIWTF-CYBMUJFWSA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(C)CCC[C@@H]2C)c1 ZINC000862755797 629429921 /nfs/dbraw/zinc/42/99/21/629429921.db2.gz YNVZCTBKDFJXOW-LRDDRELGSA-N 0 0 261.365 3.143 20 10 CGCDRN CCC[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccn1 ZINC000862755351 629430058 /nfs/dbraw/zinc/43/00/58/629430058.db2.gz FKEMSRLNQRAILH-OAHLLOKOSA-N 0 0 298.386 3.296 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2)c1 ZINC000862755109 629430120 /nfs/dbraw/zinc/43/01/20/629430120.db2.gz DCDSTXBPRRGLNN-CQSZACIVSA-N 0 0 283.371 3.196 20 10 CGCDRN Cc1oc(C)c(C(=O)NCc2cc(C)ccc2O)c1C ZINC000862759180 629430691 /nfs/dbraw/zinc/43/06/91/629430691.db2.gz ALEUIYNEKJSYKW-UHFFFAOYSA-N 0 0 273.332 3.149 20 10 CGCDRN CC(=O)[C@H](C)CCCCC(=O)NCc1cc(C)ccc1O ZINC000862758475 629430788 /nfs/dbraw/zinc/43/07/88/629430788.db2.gz ZWVZPLBKRCSRFK-CYBMUJFWSA-N 0 0 291.391 3.102 20 10 CGCDRN Cc1cccc([C@@H](C)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862760310 629431765 /nfs/dbraw/zinc/43/17/65/629431765.db2.gz PSJBCPTUMDPSCX-CQSZACIVSA-N 0 0 283.371 3.429 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](OC)[C@H](C)CC ZINC000793654930 629493422 /nfs/dbraw/zinc/49/34/22/629493422.db2.gz GUZJJNINBSCMIG-CJNGLKHVSA-N 0 0 293.407 3.192 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(Cl)ccn1 ZINC000794355292 629536392 /nfs/dbraw/zinc/53/63/92/629536392.db2.gz ZJDYTUZYPOERAW-UHFFFAOYSA-N 0 0 291.738 3.105 20 10 CGCDRN CCCN(C(=O)/C=C/c1cnn(C)c1)c1ccccc1F ZINC000875884381 634744583 /nfs/dbraw/zinc/74/45/83/634744583.db2.gz IJMKCMKMXFUQFY-CMDGGOBGSA-N 0 0 287.338 3.016 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000794618467 629561465 /nfs/dbraw/zinc/56/14/65/629561465.db2.gz HADMFRCOHNFLLM-ZWKOTPCHSA-N 0 0 294.398 3.173 20 10 CGCDRN COc1ccc(CNC(=O)Nc2ccc(C)s2)c(O)c1 ZINC000794762271 629575811 /nfs/dbraw/zinc/57/58/11/629575811.db2.gz QSIFPSQMJJKBJL-UHFFFAOYSA-N 0 0 292.360 3.092 20 10 CGCDRN CCO[C@@H](COc1ccc(N2CCCC2)cc1)C1CC1 ZINC000863458733 629577941 /nfs/dbraw/zinc/57/79/41/629577941.db2.gz FFGQMXPMIRNIMO-KRWDZBQOSA-N 0 0 275.392 3.481 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CC[C@H](C)NC1)c1cccc(Cl)c1[O-] ZINC000863544810 629604122 /nfs/dbraw/zinc/60/41/22/629604122.db2.gz BQRJYRHBCVYKNF-WDMOLILDSA-N 0 0 282.815 3.227 20 10 CGCDRN CN(C)c1cc(F)cc(NCc2ccccc2O)c1 ZINC000864016668 629727336 /nfs/dbraw/zinc/72/73/36/629727336.db2.gz IOUFZKZMWVMKDT-UHFFFAOYSA-N 0 0 260.312 3.209 20 10 CGCDRN COc1ccc(N(CCC(C)C)CCC2OCCO2)cc1 ZINC000796506296 629791784 /nfs/dbraw/zinc/79/17/84/629791784.db2.gz YNVFDAYEPBEILX-UHFFFAOYSA-N 0 0 293.407 3.311 20 10 CGCDRN COCCOC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000796621698 629806670 /nfs/dbraw/zinc/80/66/70/629806670.db2.gz UZUKAHOJDPIYIR-UHFFFAOYSA-N 0 0 287.359 3.206 20 10 CGCDRN CCc1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])on1 ZINC000796781081 629832758 /nfs/dbraw/zinc/83/27/58/629832758.db2.gz UZFIDYDOKCZSAO-AWEZNQCLSA-N 0 0 278.327 3.323 20 10 CGCDRN Cc1cccc(C)c1C(=O)N(C)Cc1ccccc1O ZINC000120274179 629936577 /nfs/dbraw/zinc/93/65/77/629936577.db2.gz ZISIACNYJZSRSQ-UHFFFAOYSA-N 0 0 269.344 3.281 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N(C)CC(C)C ZINC000797441935 629946828 /nfs/dbraw/zinc/94/68/28/629946828.db2.gz XIHLRZZUTZEIKY-UHFFFAOYSA-N 0 0 291.439 3.282 20 10 CGCDRN CCc1ccnc(CNC(=S)Nc2cccc(C)c2)c1 ZINC000797792690 629983442 /nfs/dbraw/zinc/98/34/42/629983442.db2.gz FNQIGGFTANRMNR-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN Cc1cc(NCc2cc(Cl)ccc2O)ccc1C(N)=O ZINC000798085470 630020435 /nfs/dbraw/zinc/02/04/35/630020435.db2.gz QXGPZPHGHFAMKV-UHFFFAOYSA-N 0 0 290.750 3.065 20 10 CGCDRN CC(=O)c1cccc(NCCCSc2nccs2)n1 ZINC000865537022 630175381 /nfs/dbraw/zinc/17/53/81/630175381.db2.gz VLMOTFXAHMIHGB-UHFFFAOYSA-N 0 0 293.417 3.335 20 10 CGCDRN C[C@H](NC(=O)c1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000799370303 630175732 /nfs/dbraw/zinc/17/57/32/630175732.db2.gz HCONLWSTBSOSRL-NSHDSACASA-N 0 0 299.374 3.109 20 10 CGCDRN COCC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000800278949 630260388 /nfs/dbraw/zinc/26/03/88/630260388.db2.gz BOZKMLUAASNTIG-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN CCOc1ccc(N(C)CCOCC(C)C)cc1 ZINC000800345455 630267522 /nfs/dbraw/zinc/26/75/22/630267522.db2.gz BIIUVBGOWIOBQX-UHFFFAOYSA-N 0 0 251.370 3.194 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000800531621 630292059 /nfs/dbraw/zinc/29/20/59/630292059.db2.gz HQWBUKGCLRHSNL-UHFFFAOYSA-N 0 0 299.773 3.043 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C ZINC000801548216 630342982 /nfs/dbraw/zinc/34/29/82/630342982.db2.gz CDCKMMQDQJLGCA-GXTWGEPZSA-N 0 0 261.365 3.177 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(Cl)c1[O-] ZINC000806131128 630546017 /nfs/dbraw/zinc/54/60/17/630546017.db2.gz GQOKNKQGSNTTLZ-CABCVRRESA-N 0 0 296.842 3.427 20 10 CGCDRN CCC[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000840058671 630557099 /nfs/dbraw/zinc/55/70/99/630557099.db2.gz BZYJDHFJKUWYFN-CYBMUJFWSA-N 0 0 276.405 3.340 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC2(C)CCCC2)cc1 ZINC000808027138 630619166 /nfs/dbraw/zinc/61/91/66/630619166.db2.gz FZODHJQGHRSLMP-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808422100 630643159 /nfs/dbraw/zinc/64/31/59/630643159.db2.gz XPLKGCLDHJSWSZ-LLVKDONJSA-N 0 0 284.743 3.232 20 10 CGCDRN Cc1cc(O)c(CN[C@H]2CCCC2(F)F)cc1C ZINC000808431103 630643971 /nfs/dbraw/zinc/64/39/71/630643971.db2.gz DHPNZDFGWZCDQZ-ZDUSSCGKSA-N 0 0 255.308 3.286 20 10 CGCDRN CCN(CC)c1ccc(CN2CCCc3n[nH]cc32)cc1 ZINC000811497102 631076254 /nfs/dbraw/zinc/07/62/54/631076254.db2.gz INNYCKFZTXNAAO-UHFFFAOYSA-N 0 0 284.407 3.209 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cccn1C ZINC000811508358 631078330 /nfs/dbraw/zinc/07/83/30/631078330.db2.gz NEMVMUHONMHGCC-UHFFFAOYSA-N 0 0 270.376 3.377 20 10 CGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000840277018 631340113 /nfs/dbraw/zinc/34/01/13/631340113.db2.gz PVFOVRNBSBZJJU-ZFWWWQNUSA-N 0 0 288.391 3.018 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000813888010 631477405 /nfs/dbraw/zinc/47/74/05/631477405.db2.gz ZOTDHNKEXOHNHO-MRVPVSSYSA-N 0 0 296.317 3.380 20 10 CGCDRN CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815573801 631797632 /nfs/dbraw/zinc/79/76/32/631797632.db2.gz UNYDXJXWNPNVLT-UWVGGRQHSA-N 0 0 291.313 3.487 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000815604176 631804529 /nfs/dbraw/zinc/80/45/29/631804529.db2.gz GVNFFJVFASWKNE-BDAKNGLRSA-N 0 0 291.313 3.221 20 10 CGCDRN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815627845 631808776 /nfs/dbraw/zinc/80/87/76/631808776.db2.gz LDNLDKZTKWTVFZ-KXUCPTDWSA-N 0 0 291.313 3.485 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2CC(C)(C)C2)c1 ZINC000815835185 631827139 /nfs/dbraw/zinc/82/71/39/631827139.db2.gz MHPWDOYEFILETF-LLVKDONJSA-N 0 0 291.391 3.404 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C(C)(C)C ZINC000816028764 631862766 /nfs/dbraw/zinc/86/27/66/631862766.db2.gz NVVVDVXNNOHOMD-LLVKDONJSA-N 0 0 293.407 3.217 20 10 CGCDRN C[N@H+](Cc1ccco1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482180 631990049 /nfs/dbraw/zinc/99/00/49/631990049.db2.gz XDSSVBZSGUIQKP-UHFFFAOYSA-N 0 0 269.703 3.410 20 10 CGCDRN COCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC(C)C ZINC000816489753 631991207 /nfs/dbraw/zinc/99/12/07/631991207.db2.gz BMCGPFBCRYXBBK-UHFFFAOYSA-N 0 0 289.778 3.289 20 10 CGCDRN C[N@H+](CCOCC1CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816517519 632002487 /nfs/dbraw/zinc/00/24/87/632002487.db2.gz SVGHEOLDFIYIRL-UHFFFAOYSA-N 0 0 287.762 3.043 20 10 CGCDRN CC(C)COCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816530534 632004163 /nfs/dbraw/zinc/00/41/63/632004163.db2.gz LMKXJUPVYARFQG-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000816529582 632004528 /nfs/dbraw/zinc/00/45/28/632004528.db2.gz YGGAMADOJPXJDD-OAHLLOKOSA-N 0 0 295.741 3.008 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccnc1F ZINC000816595141 632020329 /nfs/dbraw/zinc/02/03/29/632020329.db2.gz BACBTHIUKVSVNS-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN CC(C)(C)C(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000817088655 632077532 /nfs/dbraw/zinc/07/75/32/632077532.db2.gz FUPAYENQXODXIU-VQHVLOKHSA-N 0 0 291.391 3.300 20 10 CGCDRN C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(F)cc(F)c1[O-] ZINC000817585721 632191582 /nfs/dbraw/zinc/19/15/82/632191582.db2.gz HDSMQTBTQWWNEG-SNVBAGLBSA-N 0 0 285.334 3.016 20 10 CGCDRN CC[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(F)cc1[O-] ZINC000817585740 632191919 /nfs/dbraw/zinc/19/19/19/632191919.db2.gz HNLXZTGTGFZRTC-AWEZNQCLSA-N 0 0 281.371 3.267 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000817955544 632250058 /nfs/dbraw/zinc/25/00/58/632250058.db2.gz YMDUPGNNKUQHRB-CVEARBPZSA-N 0 0 288.366 3.272 20 10 CGCDRN C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000817957289 632251903 /nfs/dbraw/zinc/25/19/03/632251903.db2.gz AGQKNNYCUYVHHG-ZUZCIYMTSA-N 0 0 298.377 3.229 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961489 632257433 /nfs/dbraw/zinc/25/74/33/632257433.db2.gz ZUDNWFIPRMRCLY-HQJQHLMTSA-N 0 0 289.206 3.087 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000818239073 632301242 /nfs/dbraw/zinc/30/12/42/632301242.db2.gz UJBBLHFMPYXWRU-PEGIJTEDSA-N 0 0 296.208 3.351 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C)c1 ZINC000819398584 632450560 /nfs/dbraw/zinc/45/05/60/632450560.db2.gz NKSZQCNTAYYALF-OBJOEFQTSA-N 0 0 291.391 3.404 20 10 CGCDRN CCCCOc1ccccc1NC[C@H](O)CSC ZINC000819419860 632455871 /nfs/dbraw/zinc/45/58/71/632455871.db2.gz KEVKELWWPNTGET-LBPRGKRZSA-N 0 0 269.410 3.001 20 10 CGCDRN COCCOc1ccccc1NC[C@@H](O)CC1CCCC1 ZINC000819425757 632457499 /nfs/dbraw/zinc/45/74/99/632457499.db2.gz HYWGDNPRUVOKFN-HNNXBMFYSA-N 0 0 293.407 3.065 20 10 CGCDRN O[C@H](CNc1ccccc1OCC1CC1)CC(F)(F)F ZINC000819450657 632461850 /nfs/dbraw/zinc/46/18/50/632461850.db2.gz DTWGCDZTFARNGQ-NSHDSACASA-N 0 0 289.297 3.201 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CCC=CCC2)c1 ZINC000821065047 632721145 /nfs/dbraw/zinc/72/11/45/632721145.db2.gz JFGWRYKNEAXKNC-GFCCVEGCSA-N 0 0 289.375 3.324 20 10 CGCDRN COCc1cc(NCc2ccccc2O)ccc1OC ZINC000865751605 632877640 /nfs/dbraw/zinc/87/76/40/632877640.db2.gz ROCQRGZECKSDNY-UHFFFAOYSA-N 0 0 273.332 3.159 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccn(CCF)n2)cc1 ZINC000865838468 632910048 /nfs/dbraw/zinc/91/00/48/632910048.db2.gz WWNAUVISEATMIF-UHFFFAOYSA-N 0 0 290.386 3.311 20 10 CGCDRN Oc1cccc2c1CN(c1cc(Cl)nc(C3CC3)n1)C2 ZINC000866117309 633003998 /nfs/dbraw/zinc/00/39/98/633003998.db2.gz KKXDZUMJECNQIE-UHFFFAOYSA-N 0 0 287.750 3.233 20 10 CGCDRN CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000866487717 633157310 /nfs/dbraw/zinc/15/73/10/633157310.db2.gz FZCFREBIVNRQHY-LSJOCFKGSA-N 0 0 255.358 3.076 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CC2(CC2)C1 ZINC000824262004 633219810 /nfs/dbraw/zinc/21/98/10/633219810.db2.gz PDGOUZIJKOMMKA-UHFFFAOYSA-N 0 0 298.430 3.483 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000866636728 633225597 /nfs/dbraw/zinc/22/55/97/633225597.db2.gz BEXLUZBQPDSWDG-MEBBXXQBSA-N 0 0 299.361 3.262 20 10 CGCDRN CC[C@H](NCc1cc(Cl)cc(C)c1O)C(F)F ZINC000824508710 633251748 /nfs/dbraw/zinc/25/17/48/633251748.db2.gz GZBMZCSKLBOMRX-JTQLQIEISA-N 0 0 263.715 3.487 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)c2cccc(F)c2)cc1F ZINC000121731410 633257738 /nfs/dbraw/zinc/25/77/38/633257738.db2.gz YEAQWASYWBCDRX-OAHLLOKOSA-N 0 0 293.313 3.143 20 10 CGCDRN Cc1cc(Br)c(O)c(CN2CC[C@H](F)C2)c1 ZINC000824570341 633260822 /nfs/dbraw/zinc/26/08/22/633260822.db2.gz CMFXZSWPDFHCQY-JTQLQIEISA-N 0 0 288.160 3.007 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)ccc21 ZINC000824676989 633271484 /nfs/dbraw/zinc/27/14/84/633271484.db2.gz ZFEUUFKMVOHADV-OIISXLGYSA-N 0 0 298.430 3.121 20 10 CGCDRN CCCN(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840489779 633281118 /nfs/dbraw/zinc/28/11/18/633281118.db2.gz UCVINEYGKZJTOB-AWEZNQCLSA-N 0 0 291.439 3.043 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000868115451 633296881 /nfs/dbraw/zinc/29/68/81/633296881.db2.gz YSCZOVGIWJFEGK-FRRDWIJNSA-N 0 0 276.380 3.331 20 10 CGCDRN CCSCC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868325821 633313962 /nfs/dbraw/zinc/31/39/62/633313962.db2.gz MUHLIRQDOZNKAL-NEPJUHHUSA-N 0 0 296.436 3.284 20 10 CGCDRN CCCc1ncc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000825086910 633327026 /nfs/dbraw/zinc/32/70/26/633327026.db2.gz WRNQGBVOBKBNMH-UHFFFAOYSA-N 0 0 298.745 3.415 20 10 CGCDRN CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000825129741 633330913 /nfs/dbraw/zinc/33/09/13/633330913.db2.gz CJFQJIHIYFXOFZ-VIFPVBQESA-N 0 0 297.761 3.252 20 10 CGCDRN C/C(=C\C(=O)N1CC[C@H](C)c2ccccc21)c1cnccn1 ZINC000825311253 633344015 /nfs/dbraw/zinc/34/40/15/633344015.db2.gz HRFYGMAIHMIAHD-UQRISPGASA-N 0 0 293.370 3.420 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCC[C@@H](COC)CC2)c1O ZINC000825321597 633344957 /nfs/dbraw/zinc/34/49/57/633344957.db2.gz IHPWXZLOPFNMEM-CQSZACIVSA-N 0 0 293.407 3.039 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1CC ZINC000825678943 633373744 /nfs/dbraw/zinc/37/37/44/633373744.db2.gz LAPYMDYAGNNXBK-TZMCWYRMSA-N 0 0 261.365 3.177 20 10 CGCDRN O=C(NCc1ccccc1O)NCC1CCC2(CC2)CC1 ZINC000868963142 633384213 /nfs/dbraw/zinc/38/42/13/633384213.db2.gz JHCPDTHLJOGTMH-UHFFFAOYSA-N 0 0 288.391 3.162 20 10 CGCDRN COC[C@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826036926 633399206 /nfs/dbraw/zinc/39/92/06/633399206.db2.gz RPDNEJZNTJWSID-OAHLLOKOSA-N 0 0 283.799 3.212 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(C1CC1)C1CCCC1 ZINC000826071628 633403329 /nfs/dbraw/zinc/40/33/29/633403329.db2.gz OXETUGHYLWZURP-UHFFFAOYSA-N 0 0 251.351 3.001 20 10 CGCDRN COc1cc(N(C)CC2=CCCC2)cc(OC)c1OC ZINC000827940650 633537295 /nfs/dbraw/zinc/53/72/95/633537295.db2.gz PWXGVWLCXAPHIS-UHFFFAOYSA-N 0 0 277.364 3.259 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827940376 633537547 /nfs/dbraw/zinc/53/75/47/633537547.db2.gz CJEDFMAGFFYLMG-AXAPSJFSSA-N 0 0 261.365 3.252 20 10 CGCDRN CC(C)c1[nH]ccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946506 633538015 /nfs/dbraw/zinc/53/80/15/633538015.db2.gz KJUQSCOIDFNVTE-LLVKDONJSA-N 0 0 272.348 3.335 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000827952110 633539117 /nfs/dbraw/zinc/53/91/17/633539117.db2.gz GNWVQAOHKHSLDU-OXHZDVMGSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@H](NC(=O)[C@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000827960746 633541292 /nfs/dbraw/zinc/54/12/92/633541292.db2.gz WPBKZEYSLGRUFT-PNPHSEOMSA-N 0 0 299.345 3.454 20 10 CGCDRN C[C@@H](Cc1ccco1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960730 633541463 /nfs/dbraw/zinc/54/14/63/633541463.db2.gz WDSNVVYPVQKMQP-RYUDHWBXSA-N 0 0 273.332 3.041 20 10 CGCDRN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1cccnc1 ZINC000827963993 633542175 /nfs/dbraw/zinc/54/21/75/633542175.db2.gz FURDTFYYRXQDCH-SUMWQHHRSA-N 0 0 298.386 3.404 20 10 CGCDRN Cc1ccc([C@H](C)C(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000827973440 633543707 /nfs/dbraw/zinc/54/37/07/633543707.db2.gz PNWSUTKDIHQJEC-RYUDHWBXSA-N 0 0 273.332 3.275 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)c1ccccc1O ZINC000827978607 633544103 /nfs/dbraw/zinc/54/41/03/633544103.db2.gz YGAMFHIDSRBFSD-SWLSCSKDSA-N 0 0 297.354 3.136 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(N)c1 ZINC000828144604 633571313 /nfs/dbraw/zinc/57/13/13/633571313.db2.gz GPFOYHHCTUHJLQ-UHFFFAOYSA-N 0 0 298.386 3.335 20 10 CGCDRN COc1ccc(N(Cc2csnn2)C(C)C)cc1F ZINC000828268585 633599597 /nfs/dbraw/zinc/59/95/97/633599597.db2.gz XDAUSCLUAFGXJX-UHFFFAOYSA-N 0 0 281.356 3.101 20 10 CGCDRN COCCOc1ccccc1NCc1ccccc1O ZINC000123214952 633612306 /nfs/dbraw/zinc/61/23/06/633612306.db2.gz NSXNFBFVYFETSH-UHFFFAOYSA-N 0 0 273.332 3.030 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccccc1O ZINC000828539564 633626430 /nfs/dbraw/zinc/62/64/30/633626430.db2.gz QKRZRWPTLWSHMR-PAPYEOQZSA-N 0 0 273.376 3.396 20 10 CGCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)s1 ZINC000871198985 633722435 /nfs/dbraw/zinc/72/24/35/633722435.db2.gz QVNMORITMHRLBS-UHFFFAOYSA-N 0 0 273.357 3.227 20 10 CGCDRN C[C@H]1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203340 633723551 /nfs/dbraw/zinc/72/35/51/633723551.db2.gz XZIQNYCOTGGPAA-NWDGAFQWSA-N 0 0 259.349 3.061 20 10 CGCDRN O=C(N1Cc2cccc(O)c2C1)C1(c2cccc(F)c2)CC1 ZINC000871202288 633723576 /nfs/dbraw/zinc/72/35/76/633723576.db2.gz CJHMPONPKDFXTR-UHFFFAOYSA-N 0 0 297.329 3.105 20 10 CGCDRN O=C([C@H]1CCCc2sccc21)N1Cc2cccc(O)c2C1 ZINC000871204338 633724078 /nfs/dbraw/zinc/72/40/78/633724078.db2.gz YJZLSBCELRTAJW-ZDUSSCGKSA-N 0 0 299.395 3.416 20 10 CGCDRN CCC[C@@H](C(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000871204280 633724181 /nfs/dbraw/zinc/72/41/81/633724181.db2.gz XCFPLKBMMOZMTM-CYBMUJFWSA-N 0 0 261.365 3.307 20 10 CGCDRN C[C@H]1CC[C@H](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203497 633724526 /nfs/dbraw/zinc/72/45/26/633724526.db2.gz MPYIMCDLBFUULP-RYUDHWBXSA-N 0 0 259.349 3.061 20 10 CGCDRN CC1(C)CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205352 633725310 /nfs/dbraw/zinc/72/53/10/633725310.db2.gz YZYJXESBVFSJSU-CYBMUJFWSA-N 0 0 259.349 3.061 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](C2CCC2)CC1 ZINC000871223361 633732435 /nfs/dbraw/zinc/73/24/35/633732435.db2.gz UGISGMSDSZTFHF-GFCCVEGCSA-N 0 0 279.405 3.496 20 10 CGCDRN COc1cccc(CNC(=O)Nc2cscc2C)c1O ZINC000123589361 633763515 /nfs/dbraw/zinc/76/35/15/633763515.db2.gz OUZDRGCORJREMD-UHFFFAOYSA-N 0 0 292.360 3.092 20 10 CGCDRN COC(=O)c1cnc(SC[C@@H](C)C(F)(F)F)s1 ZINC000829680833 633766326 /nfs/dbraw/zinc/76/63/26/633766326.db2.gz FRLBGUJJOCWMFR-RXMQYKEDSA-N 0 0 285.312 3.220 20 10 CGCDRN c1csc(SCc2nc3c(o2)CCCC3)n1 ZINC000871650211 633811997 /nfs/dbraw/zinc/81/19/97/633811997.db2.gz SUICFESPXRLFEJ-UHFFFAOYSA-N 0 0 252.364 3.302 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)OC1CCCC1 ZINC000830535791 633869599 /nfs/dbraw/zinc/86/95/99/633869599.db2.gz WLLLXVBAUROPRO-UHFFFAOYSA-N 0 0 276.380 3.230 20 10 CGCDRN CCCC[C@](C)(F)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000830540865 633869848 /nfs/dbraw/zinc/86/98/48/633869848.db2.gz OXINMZRSZCBMKL-BZNIZROVSA-N 0 0 297.370 3.496 20 10 CGCDRN CC(C)Nc1ccccc1NCc1cn2cccnc2n1 ZINC000871845512 633889723 /nfs/dbraw/zinc/88/97/23/633889723.db2.gz CYFBBSIYPISRGH-UHFFFAOYSA-N 0 0 281.363 3.162 20 10 CGCDRN C[C@H](CCNC(=O)Cc1ccc(N)cc1)CC(C)(C)C ZINC000832166783 634034807 /nfs/dbraw/zinc/03/48/07/634034807.db2.gz RPRNVORUKOXSCU-CYBMUJFWSA-N 0 0 276.424 3.390 20 10 CGCDRN Cc1ccc(C)c(OCCN(C)c2ccc(N)cc2)c1 ZINC000019727629 634219056 /nfs/dbraw/zinc/21/90/56/634219056.db2.gz VODGKVYHDCCRRT-UHFFFAOYSA-N 0 0 270.376 3.401 20 10 CGCDRN C[C@@H]([NH2+]CCC(C)(F)F)c1cc(F)cc(F)c1[O-] ZINC000834818672 634246491 /nfs/dbraw/zinc/24/64/91/634246491.db2.gz NQZAVWIMQJSSSN-SSDOTTSWSA-N 0 0 265.250 3.366 20 10 CGCDRN CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000834828712 634249065 /nfs/dbraw/zinc/24/90/65/634249065.db2.gz XNBNVCKRARVNKF-ZWNOBZJWSA-N 0 0 256.340 3.447 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(Cl)c1[O-] ZINC000834830815 634251954 /nfs/dbraw/zinc/25/19/54/634251954.db2.gz GWGLXXDCTNWARW-QWHCGFSZSA-N 0 0 291.782 3.428 20 10 CGCDRN C[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N)cc2)C1 ZINC000837302726 634881753 /nfs/dbraw/zinc/88/17/53/634881753.db2.gz DFHCFAZKSRTLTO-OCCSQVGLSA-N 0 0 260.381 3.101 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(O[C@H]2CCOC2)cc1 ZINC000876827167 634910021 /nfs/dbraw/zinc/91/00/21/634910021.db2.gz LDXIMHNDGBSKMH-INIZCTEOSA-N 0 0 299.370 3.480 20 10 CGCDRN COc1cc(NCc2ccc(C)cc2O)cc(OC)c1 ZINC000876833162 634912143 /nfs/dbraw/zinc/91/21/43/634912143.db2.gz FQJKGQZAWQLSPU-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)C1CCCCC1 ZINC000837512939 634923238 /nfs/dbraw/zinc/92/32/38/634923238.db2.gz FITGDPUTQFACJF-SECBINFHSA-N 0 0 282.361 3.148 20 10 CGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)c(Cl)c1 ZINC000126239869 634926018 /nfs/dbraw/zinc/92/60/18/634926018.db2.gz FLLASKXUEYQPOA-UHFFFAOYSA-N 0 0 277.707 3.312 20 10 CGCDRN Cc1ccc(CNc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000876953717 634936004 /nfs/dbraw/zinc/93/60/04/634936004.db2.gz YLOZCPKRIFHKOK-UHFFFAOYSA-N 0 0 285.343 3.474 20 10 CGCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])Oc1ccccc1 ZINC000877047269 634962320 /nfs/dbraw/zinc/96/23/20/634962320.db2.gz VQKPHCKVTAAIRJ-NSHDSACASA-N 0 0 293.313 3.228 20 10 CGCDRN CN(C(=O)[C@@H](c1ccccc1)C1CC1)c1ccc(N)cc1 ZINC000877075863 634973263 /nfs/dbraw/zinc/97/32/63/634973263.db2.gz KGSIMQBNSSVWJI-KRWDZBQOSA-N 0 0 280.371 3.425 20 10 CGCDRN CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877075871 634973761 /nfs/dbraw/zinc/97/37/61/634973761.db2.gz QWFPQSFUMQCGAQ-BLLLJJGKSA-N 0 0 299.361 3.211 20 10 CGCDRN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877122883 634990975 /nfs/dbraw/zinc/99/09/75/634990975.db2.gz BYJFADHLFQBWQL-DGCLKSJQSA-N 0 0 299.361 3.354 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H](CCO)C2CCCCC2)ccc(F)c1F ZINC000877128805 634993436 /nfs/dbraw/zinc/99/34/36/634993436.db2.gz VRVYESFUJANNEV-AWEZNQCLSA-N 0 0 299.361 3.091 20 10 CGCDRN Cc1cccc(O)c1CNc1ccn(CC(F)(F)F)n1 ZINC000877165092 635004926 /nfs/dbraw/zinc/00/49/26/635004926.db2.gz YDNFJQNZLWRFGS-UHFFFAOYSA-N 0 0 285.269 3.072 20 10 CGCDRN Cc1ccc(CN[C@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000877315685 635024867 /nfs/dbraw/zinc/02/48/67/635024867.db2.gz POITXIMTEWGLIS-ZDUSSCGKSA-N 0 0 291.297 3.202 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C12CCC2 ZINC000840807626 635055868 /nfs/dbraw/zinc/05/58/68/635055868.db2.gz WUDKQEDKXZHLDP-BIGNPOOSSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000840872689 635070590 /nfs/dbraw/zinc/07/05/90/635070590.db2.gz MKTJMDMXEUZLMU-CHWFTXMASA-N 0 0 285.334 3.135 20 10 CGCDRN Cc1ccc(NCc2ccc(N(C)C)cc2C)cn1 ZINC000840878158 635070839 /nfs/dbraw/zinc/07/08/39/635070839.db2.gz ALTXGSULWTUBMQ-UHFFFAOYSA-N 0 0 255.365 3.377 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1csnn1)c1ccc(C)cc1O ZINC000840885303 635074693 /nfs/dbraw/zinc/07/46/93/635074693.db2.gz BKAZZOSAZSICCL-CMPLNLGQSA-N 0 0 277.393 3.354 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC000877540304 635079337 /nfs/dbraw/zinc/07/93/37/635079337.db2.gz WBLRWTJHKPJKOB-MRVPVSSYSA-N 0 0 277.261 3.148 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2cscn2)c(Cl)c1 ZINC000840912937 635081338 /nfs/dbraw/zinc/08/13/38/635081338.db2.gz ZTZAJSRFGMQFQQ-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1(Cl)Cl ZINC000877564529 635093022 /nfs/dbraw/zinc/09/30/22/635093022.db2.gz DNIVPIYFKPVOMO-LLVKDONJSA-N 0 0 296.144 3.344 20 10 CGCDRN CCCNC(=O)c1ccc(NCc2ccc(C)cc2O)cc1 ZINC000877607584 635109597 /nfs/dbraw/zinc/10/95/97/635109597.db2.gz DHIXFAVXSJURPD-UHFFFAOYSA-N 0 0 298.386 3.453 20 10 CGCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2ccccc21 ZINC000104195803 635125856 /nfs/dbraw/zinc/12/58/56/635125856.db2.gz YWMKOCCGOSKBLE-BQYQJAHWSA-N 0 0 282.318 3.213 20 10 CGCDRN COCc1ccc(NCc2c(C)cccc2O)cc1OC ZINC000877659368 635135690 /nfs/dbraw/zinc/13/56/90/635135690.db2.gz QIYWZDCPNGKWFO-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000877680829 635142277 /nfs/dbraw/zinc/14/22/77/635142277.db2.gz ANSAXKYNGLVWEM-OPQQBVKSSA-N 0 0 269.772 3.010 20 10 CGCDRN CCCN(CCc1ccccn1)C(=O)Nc1ccc(N)cc1 ZINC000841300547 635149253 /nfs/dbraw/zinc/14/92/53/635149253.db2.gz ROQGGBHHSRJPGY-UHFFFAOYSA-N 0 0 298.390 3.150 20 10 CGCDRN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)n1 ZINC000841298434 635150023 /nfs/dbraw/zinc/15/00/23/635150023.db2.gz PNXMTFXCVLQLEQ-INIZCTEOSA-N 0 0 296.374 3.341 20 10 CGCDRN C[C@H](CNC(=O)Nc1ccc(N)cc1)Cc1cccs1 ZINC000841300919 635150682 /nfs/dbraw/zinc/15/06/82/635150682.db2.gz WVXUZFDIRCRALL-NSHDSACASA-N 0 0 289.404 3.331 20 10 CGCDRN Nc1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000841301227 635151297 /nfs/dbraw/zinc/15/12/97/635151297.db2.gz GLEIAHSSXHIZEX-ZDUSSCGKSA-N 0 0 271.320 3.061 20 10 CGCDRN CC1(F)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000877700982 635151535 /nfs/dbraw/zinc/15/15/35/635151535.db2.gz XUFSRFSFYQSCAF-UHFFFAOYSA-N 0 0 257.736 3.370 20 10 CGCDRN Cc1cc(CN2Cc3cccc(O)c3C2)cnc1Cl ZINC000877703266 635155916 /nfs/dbraw/zinc/15/59/16/635155916.db2.gz ZBJXBKFRQGBJAV-UHFFFAOYSA-N 0 0 274.751 3.265 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc2c1OCCCO2 ZINC000877767379 635193010 /nfs/dbraw/zinc/19/30/10/635193010.db2.gz GOVPTHZZTACPTA-UHFFFAOYSA-N 0 0 285.343 3.474 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877806896 635210877 /nfs/dbraw/zinc/21/08/77/635210877.db2.gz SCFROMBWOSMSSZ-SCDSUCTJSA-N 0 0 281.783 3.093 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743945 635221927 /nfs/dbraw/zinc/22/19/27/635221927.db2.gz LETGFILUVSWZQH-JTQLQIEISA-N 0 0 270.804 3.036 20 10 CGCDRN COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746794 635223765 /nfs/dbraw/zinc/22/37/65/635223765.db2.gz LGVSODUFQCQZOZ-ZJUUUORDSA-N 0 0 257.761 3.121 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(Cl)cc1[O-] ZINC000841753469 635227046 /nfs/dbraw/zinc/22/70/46/635227046.db2.gz UIIKIFDYRSUSPC-MISXGVKJSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@H]([NH2+]CC1(N(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000841761116 635233381 /nfs/dbraw/zinc/23/33/81/635233381.db2.gz DHDVUXDHKKQAAJ-ZDUSSCGKSA-N 0 0 282.815 3.181 20 10 CGCDRN COc1ccc(C[NH2+][C@H](CC2CCCC2)C(=O)[O-])cc1C ZINC000841805449 635237840 /nfs/dbraw/zinc/23/78/40/635237840.db2.gz ZXOAYRIGQHZMKA-OAHLLOKOSA-N 0 0 291.391 3.127 20 10 CGCDRN CC[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000841809922 635238247 /nfs/dbraw/zinc/23/82/47/635238247.db2.gz DPSWVKKVYPYYMP-OAHLLOKOSA-N 0 0 292.423 3.266 20 10 CGCDRN C[C@@H](CCC(C)(C)C)NC(=O)NCCc1ccc(N)cc1 ZINC000841829732 635241124 /nfs/dbraw/zinc/24/11/24/635241124.db2.gz RUCUYRWQPFTVNY-ZDUSSCGKSA-N 0 0 291.439 3.325 20 10 CGCDRN CCOc1ccc(N(C)Cc2nccn2CC(F)F)cc1 ZINC000878125076 635368091 /nfs/dbraw/zinc/36/80/91/635368091.db2.gz MJYFBECTRZTBMU-UHFFFAOYSA-N 0 0 295.333 3.183 20 10 CGCDRN C=C/C=C\CCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000878129010 635370237 /nfs/dbraw/zinc/37/02/37/635370237.db2.gz JRUGGFWDOFUCSU-FPLPWBNLSA-N 0 0 277.364 3.281 20 10 CGCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000842778564 635469617 /nfs/dbraw/zinc/46/96/17/635469617.db2.gz GYYVCTHWJNRVAX-OIBJUYFYSA-N 0 0 275.776 3.168 20 10 CGCDRN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])[C@@H]1SC ZINC000842924422 635513713 /nfs/dbraw/zinc/51/37/13/635513713.db2.gz QAXJHNFGFYKEEA-FFFUXKDYSA-N 0 0 299.411 3.091 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(F)cc1[O-] ZINC000842930270 635514188 /nfs/dbraw/zinc/51/41/88/635514188.db2.gz TVZKOAKKOPGULP-ICCXJUOJSA-N 0 0 269.385 3.466 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(F)cc1[O-] ZINC000842930276 635514816 /nfs/dbraw/zinc/51/48/16/635514816.db2.gz TVZKOAKKOPGULP-JIMOISOXSA-N 0 0 269.385 3.466 20 10 CGCDRN Nc1ccc(NC(=O)N2CCCC[C@@H]2C2CCC2)cc1 ZINC000843042894 635547994 /nfs/dbraw/zinc/54/79/94/635547994.db2.gz BSHPQARIFURHFO-OAHLLOKOSA-N 0 0 273.380 3.455 20 10 CGCDRN CCOc1ccc(O)c(CN2CCNc3ccccc32)c1 ZINC000843125141 635560252 /nfs/dbraw/zinc/56/02/52/635560252.db2.gz XIMHOQVJOQYKKQ-UHFFFAOYSA-N 0 0 284.359 3.223 20 10 CGCDRN CC[C@H](NCc1cscn1)c1ccc(N(C)C)cc1 ZINC000127344376 635630645 /nfs/dbraw/zinc/63/06/45/635630645.db2.gz OVDDVCUWSFHHNN-HNNXBMFYSA-N 0 0 275.421 3.450 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2ccc(C)cc2C)nc1 ZINC000843281503 635634849 /nfs/dbraw/zinc/63/48/49/635634849.db2.gz QYYVULFCXOGSRP-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN CCc1cccc(NC(=S)NCc2ccc(C)cn2)c1 ZINC000843281491 635635001 /nfs/dbraw/zinc/63/50/01/635635001.db2.gz QOKJTOAVRXKWHJ-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000843343564 635650663 /nfs/dbraw/zinc/65/06/63/635650663.db2.gz ZIYGAEQWKRJENS-IAGOWNOFSA-N 0 0 286.419 3.144 20 10 CGCDRN Cc1nc(C)c(NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000878890315 635651051 /nfs/dbraw/zinc/65/10/51/635651051.db2.gz AINDBHSJAXZJDS-MRVPVSSYSA-N 0 0 291.376 3.348 20 10 CGCDRN COCC1(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000843419603 635664902 /nfs/dbraw/zinc/66/49/02/635664902.db2.gz ZZLIZTAUFZTFRP-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1cc(C)c(C)cc1O ZINC000843424226 635668658 /nfs/dbraw/zinc/66/86/58/635668658.db2.gz WGJACJKRDPWJEH-CQSZACIVSA-N 0 0 293.407 3.076 20 10 CGCDRN Cc1c(NCc2cccc(C)c2O)n[nH]c1C(C)C ZINC000843426471 635670223 /nfs/dbraw/zinc/67/02/23/635670223.db2.gz YXFNOVISAWLPCA-UHFFFAOYSA-N 0 0 259.353 3.468 20 10 CGCDRN Cc1cc(CN2CCC[C@@H]2c2ncccn2)ccc1N(C)C ZINC000878977370 635670347 /nfs/dbraw/zinc/67/03/47/635670347.db2.gz LAOVSLFILQLVLF-QGZVFWFLSA-N 0 0 296.418 3.188 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/C2CCCC2)c1 ZINC000843830136 635786485 /nfs/dbraw/zinc/78/64/85/635786485.db2.gz CUKNJKMAJULSFE-OFFHKIPUSA-N 0 0 289.375 3.324 20 10 CGCDRN CCOC(=O)c1ccc(CN(C)c2ccc(OC)cc2)o1 ZINC000844353345 635877334 /nfs/dbraw/zinc/87/73/34/635877334.db2.gz SHSOOESIGFUPKN-UHFFFAOYSA-N 0 0 289.331 3.101 20 10 CGCDRN COc1ccc(N(C)C[C@@H](O)[C@H](C)c2ccccc2)cc1 ZINC000844356689 635878945 /nfs/dbraw/zinc/87/89/45/635878945.db2.gz VUOADRJSCKFZLH-RDTXWAMCSA-N 0 0 285.387 3.296 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC=CCC1 ZINC000844924788 635986113 /nfs/dbraw/zinc/98/61/13/635986113.db2.gz BDCFANMSXKHHQW-LLVKDONJSA-N 0 0 294.782 3.201 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C)c(O)c1O ZINC000846373070 636180125 /nfs/dbraw/zinc/18/01/25/636180125.db2.gz SVLXYFFZGWDCJZ-LSDHHAIUSA-N 0 0 297.354 3.001 20 10 CGCDRN CC(C)(CC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846475298 636187775 /nfs/dbraw/zinc/18/77/75/636187775.db2.gz BTPMPOKCRVDYDZ-UHFFFAOYSA-N 0 0 281.783 3.488 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cc(C3CC3)ncn2)cc1 ZINC000881772396 636198495 /nfs/dbraw/zinc/19/84/95/636198495.db2.gz WJZXGTPEJQEHIW-UHFFFAOYSA-N 0 0 282.391 3.056 20 10 CGCDRN CN(C)c1ccc(CNc2cccc3c2OCC3)cc1 ZINC000846745184 636221258 /nfs/dbraw/zinc/22/12/58/636221258.db2.gz DIZVPKMYUJNYBQ-UHFFFAOYSA-N 0 0 268.360 3.300 20 10 CGCDRN COC(=O)CCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846996482 636303969 /nfs/dbraw/zinc/30/39/69/636303969.db2.gz SEHKPDUZSHDITQ-UHFFFAOYSA-N 0 0 290.388 3.200 20 10 CGCDRN COCc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882882252 636445825 /nfs/dbraw/zinc/44/58/25/636445825.db2.gz ASYDJUXHBYWJDQ-UHFFFAOYSA-N 0 0 293.313 3.107 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000883108998 636542535 /nfs/dbraw/zinc/54/25/35/636542535.db2.gz AXOQALLCGAHPEB-MRVPVSSYSA-N 0 0 277.261 3.195 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000883112339 636543950 /nfs/dbraw/zinc/54/39/50/636543950.db2.gz JJXIWVJCMURASS-AWEZNQCLSA-N 0 0 297.345 3.109 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000883194166 636576859 /nfs/dbraw/zinc/57/68/59/636576859.db2.gz PIPVMCUYOBEPLI-CMPLNLGQSA-N 0 0 259.271 3.041 20 10 CGCDRN C[C@H]1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000131586791 636691232 /nfs/dbraw/zinc/69/12/32/636691232.db2.gz KUGCGGIAECDFLR-DZGCQCFKSA-N 0 0 274.408 3.195 20 10 CGCDRN CCOc1cccc(CN2Cc3ccc(OC)cc3C2)c1O ZINC000848925994 636699008 /nfs/dbraw/zinc/69/90/08/636699008.db2.gz OWPJKKANGGUHDP-UHFFFAOYSA-N 0 0 299.370 3.315 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848927840 636700266 /nfs/dbraw/zinc/70/02/66/636700266.db2.gz OYMRJKVDKQYNLU-LSDHHAIUSA-N 0 0 294.826 3.152 20 10 CGCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086783931 636784083 /nfs/dbraw/zinc/78/40/83/636784083.db2.gz WTRZXHOQJNBSDN-OAHLLOKOSA-N 0 0 297.782 3.122 20 10 CGCDRN COc1cc(C)cc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC000132568040 636820580 /nfs/dbraw/zinc/82/05/80/636820580.db2.gz SVZXDVNYRLUOFB-UHFFFAOYSA-N 0 0 289.400 3.329 20 10 CGCDRN CN1CCC[C@H](CSc2ncc(C(C)(C)C)s2)C1=O ZINC000849887798 636899864 /nfs/dbraw/zinc/89/98/64/636899864.db2.gz QCYGUGLPEYCSKG-SNVBAGLBSA-N 0 0 298.477 3.401 20 10 CGCDRN CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000850381320 637040701 /nfs/dbraw/zinc/04/07/01/637040701.db2.gz AWYPRGMGJGVQPN-NSHDSACASA-N 0 0 257.736 3.463 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000850392849 637045455 /nfs/dbraw/zinc/04/54/55/637045455.db2.gz NBXGITADVBBDQI-BWPRHRIFSA-N 0 0 255.720 3.073 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000850482626 637085767 /nfs/dbraw/zinc/08/57/67/637085767.db2.gz QFKOEFGGSNHSLN-WCQYABFASA-N 0 0 267.344 3.140 20 10 CGCDRN CC(C)[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850555445 637120787 /nfs/dbraw/zinc/12/07/87/637120787.db2.gz IOQSGTYCOKFAIW-MEBBXXQBSA-N 0 0 278.352 3.386 20 10 CGCDRN C[C@H]([NH2+]C1CC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850576522 637130880 /nfs/dbraw/zinc/13/08/80/637130880.db2.gz NWHMMHNZWDENAF-VIFPVBQESA-N 0 0 264.325 3.140 20 10 CGCDRN CC1(C)C[C@]1(C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000850710633 637134985 /nfs/dbraw/zinc/13/49/85/637134985.db2.gz FIUNEIPVQPAESH-LJQANCHMSA-N 0 0 294.398 3.253 20 10 CGCDRN Nc1ccc(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 ZINC000850712603 637135398 /nfs/dbraw/zinc/13/53/98/637135398.db2.gz YESGEKZBJLDBBI-HUUCEWRRSA-N 0 0 272.392 3.101 20 10 CGCDRN CC(=O)c1cc(Cl)cc(CN2CCS[C@H](C)C2)c1O ZINC000135820932 637188405 /nfs/dbraw/zinc/18/84/05/637188405.db2.gz XTNOSLOHQAAKLJ-SECBINFHSA-N 0 0 299.823 3.186 20 10 CGCDRN C[C@H](Nc1cccc(CCCO)c1)c1ccccc1O ZINC000136421556 637336790 /nfs/dbraw/zinc/33/67/90/637336790.db2.gz OXFLNJSIZRLEJO-ZDUSSCGKSA-N 0 0 271.360 3.490 20 10 CGCDRN CC1=CC[C@](C)(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000851632592 637461181 /nfs/dbraw/zinc/46/11/81/637461181.db2.gz SVTVMMNEOARXAX-KRWDZBQOSA-N 0 0 272.392 3.064 20 10 CGCDRN CCN(Cc1nc(C)oc1C)c1ccc(OC)c(OC)c1 ZINC000851828466 637517172 /nfs/dbraw/zinc/51/71/72/637517172.db2.gz PZXQLSOZZPQLRT-UHFFFAOYSA-N 0 0 290.363 3.335 20 10 CGCDRN Cc1noc(C)c1CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886524604 637553750 /nfs/dbraw/zinc/55/37/50/637553750.db2.gz NJKHMUBIGOBLSS-JTQLQIEISA-N 0 0 278.327 3.029 20 10 CGCDRN Cc1nccn1CCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886532103 637556213 /nfs/dbraw/zinc/55/62/13/637556213.db2.gz DIXCGPVGAGUIHH-GFCCVEGCSA-N 0 0 291.370 3.167 20 10 CGCDRN C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886534519 637560448 /nfs/dbraw/zinc/56/04/48/637560448.db2.gz KAQJQUOFGALSDK-LLVKDONJSA-N 0 0 297.370 3.304 20 10 CGCDRN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886534853 637560667 /nfs/dbraw/zinc/56/06/67/637560667.db2.gz QBYQIOYSJHCVFZ-STQMWFEESA-N 0 0 283.387 3.227 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCSC1)c1c([O-])cccc1F ZINC000886537194 637561273 /nfs/dbraw/zinc/56/12/73/637561273.db2.gz VUMDJIJPOFKPPN-UWVGGRQHSA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@H]([NH2+]CC1(CCO)CCCC1)c1c([O-])cccc1F ZINC000886535315 637562308 /nfs/dbraw/zinc/56/23/08/637562308.db2.gz YGUORUWOUCLQFY-LBPRGKRZSA-N 0 0 281.371 3.125 20 10 CGCDRN Cc1noc(C)c1CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886539295 637563010 /nfs/dbraw/zinc/56/30/10/637563010.db2.gz XOIBJSODAVBZTD-NSHDSACASA-N 0 0 292.354 3.420 20 10 CGCDRN C[C@H]([NH2+]Cc1ccccc1N(C)C)c1c([O-])cccc1F ZINC000886547961 637574654 /nfs/dbraw/zinc/57/46/54/637574654.db2.gz VBTIPNUKDIXOIS-LBPRGKRZSA-N 0 0 288.366 3.448 20 10 CGCDRN Cc1ncc(CC[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886553862 637577326 /nfs/dbraw/zinc/57/73/26/637577326.db2.gz WWIBERXHJMRBEF-SECBINFHSA-N 0 0 280.368 3.190 20 10 CGCDRN CCSCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886606842 637601404 /nfs/dbraw/zinc/60/14/04/637601404.db2.gz HGAOQVTUNMVGTC-SNVBAGLBSA-N 0 0 257.374 3.325 20 10 CGCDRN COc1ccc(N(Cc2conc2C)CC2CC2)cc1 ZINC000852134717 637602049 /nfs/dbraw/zinc/60/20/49/637602049.db2.gz HNURMXQAGXHDCL-UHFFFAOYSA-N 0 0 272.348 3.408 20 10 CGCDRN Cc1ccncc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886620095 637612342 /nfs/dbraw/zinc/61/23/42/637612342.db2.gz BQMPRDRIAONERQ-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886621872 637612554 /nfs/dbraw/zinc/61/25/54/637612554.db2.gz DULSIIOYWVLIFE-GHMZBOCLSA-N 0 0 277.343 3.160 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886646329 637626156 /nfs/dbraw/zinc/62/61/56/637626156.db2.gz FVXAEIDRMBERFY-PPHDSNJXSA-N 0 0 293.382 3.387 20 10 CGCDRN CCN(CC)c1ccc(CNc2cc(F)ncn2)cc1 ZINC000853192970 637778342 /nfs/dbraw/zinc/77/83/42/637778342.db2.gz NGYJNLRPBBQZNR-UHFFFAOYSA-N 0 0 274.343 3.074 20 10 CGCDRN COc1ccc(O)c(CNc2cc(C(C)(C)C)ncn2)c1 ZINC000853334723 637814160 /nfs/dbraw/zinc/81/41/60/637814160.db2.gz QBUZAOKSPBSYCL-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN Cc1cc(CO)cc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000853484408 637853023 /nfs/dbraw/zinc/85/30/23/637853023.db2.gz IOFQSWRDMBDFKT-ZDUSSCGKSA-N 0 0 285.391 3.121 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1ncc(C)cn1 ZINC000853578581 637869253 /nfs/dbraw/zinc/86/92/53/637869253.db2.gz OWHCAXBDZHRITM-UHFFFAOYSA-N 0 0 271.364 3.297 20 10 CGCDRN CC[C@H](NC(=O)NCCCSc1nccs1)C1CC1 ZINC000853857511 637942648 /nfs/dbraw/zinc/94/26/48/637942648.db2.gz FEMDWGWLPMTHCI-NSHDSACASA-N 0 0 299.465 3.113 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)CNC)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233106 638029918 /nfs/dbraw/zinc/02/99/18/638029918.db2.gz XQMZIOBCQVSBSJ-KCJUWKMLSA-N 0 0 291.222 3.348 20 10 CGCDRN Cc1cc(CC(=O)N[C@@H](C)CF)c(C)n1-c1ccccc1 ZINC000854634083 638079649 /nfs/dbraw/zinc/07/96/49/638079649.db2.gz VDGBCGNDBKSIIE-LBPRGKRZSA-N 0 0 288.366 3.111 20 10 CGCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000855932259 638279720 /nfs/dbraw/zinc/27/97/20/638279720.db2.gz NNQASPOKIJOGNP-SKFMMRCFSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1cc(C(=O)N[C@]2(C)CC2(C)C)c(C)n1-c1ccccn1 ZINC000856135305 638305923 /nfs/dbraw/zinc/30/59/23/638305923.db2.gz SLNZWSCFDYPMQP-GOSISDBHSA-N 0 0 297.402 3.408 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(N)ccn1)c1cccc(Cl)c1[O-] ZINC000925767129 638602980 /nfs/dbraw/zinc/60/29/80/638602980.db2.gz NALBYJYFWSKOMQ-CQSZACIVSA-N 0 0 291.782 3.264 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000858158650 638646411 /nfs/dbraw/zinc/64/64/11/638646411.db2.gz HHYAKEZPJZASRP-HOTGVXAUSA-N 0 0 296.370 3.056 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCCC2)c1 ZINC000858219556 638659727 /nfs/dbraw/zinc/65/97/27/638659727.db2.gz RUXAXMIMGYZAHY-LBPRGKRZSA-N 0 0 276.380 3.079 20 10 CGCDRN Cc1cc(CNCc2cn(C)cn2)c(C)n1-c1ccccc1 ZINC000858294444 638674100 /nfs/dbraw/zinc/67/41/00/638674100.db2.gz ZOSGLHNOKGKIIZ-UHFFFAOYSA-N 0 0 294.402 3.117 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)C2CC2)c1 ZINC000858422972 638713287 /nfs/dbraw/zinc/71/32/87/638713287.db2.gz UJMLPHPKSVZUKJ-UHFFFAOYSA-N 0 0 296.370 3.141 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCS[C@H](C)C1)c1ccccc1O ZINC000927228302 638850353 /nfs/dbraw/zinc/85/03/53/638850353.db2.gz DWBCHABKEFISMR-GRYCIOLGSA-N 0 0 294.420 3.037 20 10 CGCDRN C/C(=C\C(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000928712594 638889573 /nfs/dbraw/zinc/88/95/73/638889573.db2.gz SLDQOHDOBVMXOA-CSKARUKUSA-N 0 0 265.328 3.140 20 10 CGCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928712621 638889696 /nfs/dbraw/zinc/88/96/96/638889696.db2.gz SRBGZCQJQYDEOO-UONOGXRCSA-N 0 0 299.345 3.260 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC=CCC2)cc1 ZINC000929533870 638931495 /nfs/dbraw/zinc/93/14/95/638931495.db2.gz XUEVOUNFOINHFZ-OAHLLOKOSA-N 0 0 286.419 3.457 20 10 CGCDRN COc1ccc(N(C)Cc2nn(C)cc2C)cc1Cl ZINC000929827449 638954868 /nfs/dbraw/zinc/95/48/68/638954868.db2.gz 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296.326 3.241 20 10 CGCDRN COC(=O)c1c(F)cccc1Nc1ccc2c(c1)CCN2 ZINC001159522171 806116916 /nfs/dbraw/zinc/11/69/16/806116916.db2.gz DVZRVPVETFYGCP-UHFFFAOYSA-N 0 0 286.306 3.324 20 10 CGCDRN CCOC(=O)c1ccc(OC)cc1Nc1ccc(N)cc1 ZINC001159783328 806173852 /nfs/dbraw/zinc/17/38/52/806173852.db2.gz ISQWRBJOADYABT-UHFFFAOYSA-N 0 0 286.331 3.198 20 10 CGCDRN CCCc1ccc(NCc2c(C)cc(C)cc2O)nn1 ZINC001160811501 806306026 /nfs/dbraw/zinc/30/60/26/806306026.db2.gz OWRDVQBZZNYBQI-UHFFFAOYSA-N 0 0 271.364 3.364 20 10 CGCDRN O=C(NCCCCC1CC1)NCc1cccc(Cl)c1O ZINC001254249572 806374478 /nfs/dbraw/zinc/37/44/78/806374478.db2.gz SYETYOOORXGNDA-UHFFFAOYSA-N 0 0 296.798 3.425 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NC[C@H]2CCNC(=O)C2)cc1 ZINC001162332540 806556515 /nfs/dbraw/zinc/55/65/15/806556515.db2.gz INAFVQXWZIFMQI-HNNXBMFYSA-N 0 0 297.402 3.032 20 10 CGCDRN Nc1ccc(CNc2nc(Cl)nc3ccoc32)cc1 ZINC001162784464 806664481 /nfs/dbraw/zinc/66/44/81/806664481.db2.gz OOZWMKATTYLNRR-UHFFFAOYSA-N 0 0 274.711 3.071 20 10 CGCDRN CCC(CC)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000042956036 798889128 /nfs/dbraw/zinc/88/91/28/798889128.db2.gz JHXGNNNJPJYCAJ-UHFFFAOYSA-N 0 0 291.439 3.473 20 10 CGCDRN COC(=O)c1ccc(CSc2nccs2)s1 ZINC000155534366 799063590 /nfs/dbraw/zinc/06/35/90/799063590.db2.gz KCWOZXFZVUETNV-UHFFFAOYSA-N 0 0 271.388 3.284 20 10 CGCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1C=CCCC1 ZINC000158380601 799070225 /nfs/dbraw/zinc/07/02/25/799070225.db2.gz NUUVHRFEFPIVGD-ZDUSSCGKSA-N 0 0 295.342 3.089 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCc3cccc(C)c32)c1 ZINC000178523734 799107708 /nfs/dbraw/zinc/10/77/08/799107708.db2.gz OGFSUGNBAHTYMO-VOTSOKGWSA-N 0 0 278.355 3.301 20 10 CGCDRN CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000315519928 799237806 /nfs/dbraw/zinc/23/78/06/799237806.db2.gz JWLCUHFFYNZJQK-CYBMUJFWSA-N 0 0 298.386 3.087 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC2CCC1CC2 ZINC000383913881 799410132 /nfs/dbraw/zinc/41/01/32/799410132.db2.gz FYAPUXDJZKMMJH-PIMMBPRGSA-N 0 0 273.376 3.177 20 10 CGCDRN CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000395845974 799506978 /nfs/dbraw/zinc/50/69/78/799506978.db2.gz KJEQTRYJYUXLOO-AWEZNQCLSA-N 0 0 261.369 3.311 20 10 CGCDRN CCOc1cccc(CN2CCCC(F)(F)C2)c1O ZINC000404775672 799579393 /nfs/dbraw/zinc/57/93/93/799579393.db2.gz ACQCBRBQZIOZHH-UHFFFAOYSA-N 0 0 271.307 3.022 20 10 CGCDRN CC[C@@]1(C)COCCN1Cc1cc(Cl)ccc1O ZINC000687973790 799742653 /nfs/dbraw/zinc/74/26/53/799742653.db2.gz MUPCHFOVNJKDIX-AWEZNQCLSA-N 0 0 269.772 3.047 20 10 CGCDRN O=C(/C=C\c1ccccc1Cl)NCc1ccccc1O ZINC000701176415 799885687 /nfs/dbraw/zinc/88/56/87/799885687.db2.gz LBJLIYWNTRTNFI-KTKRTIGZSA-N 0 0 287.746 3.375 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000701933962 799899910 /nfs/dbraw/zinc/89/99/10/799899910.db2.gz CMHRSZNKZWHOQA-DTWKUNHWSA-N 0 0 259.271 3.227 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC1(F)CCC1 ZINC000702516236 799909798 /nfs/dbraw/zinc/90/97/98/799909798.db2.gz AUMFCGQQTVRZLZ-UHFFFAOYSA-N 0 0 257.736 3.418 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702771088 799912502 /nfs/dbraw/zinc/91/25/02/799912502.db2.gz XHURCIBFHZJLBF-UHFFFAOYSA-N 0 0 259.271 3.153 20 10 CGCDRN CC[C@](C)([NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703234471 799920119 /nfs/dbraw/zinc/92/01/19/799920119.db2.gz RRBPCIONFZVEER-AWEZNQCLSA-N 0 0 255.308 3.339 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCc3ccccc32)ccc(F)c1F ZINC000703228509 799920266 /nfs/dbraw/zinc/92/02/66/799920266.db2.gz AZIOLNAXIARANB-AWEZNQCLSA-N 0 0 275.298 3.448 20 10 CGCDRN [O-]c1c(C[NH2+][C@H](C2CC2)C2CCC2)ccc(F)c1F ZINC000703293316 799922003 /nfs/dbraw/zinc/92/20/03/799922003.db2.gz BPTVJBDMMJGZKX-AWEZNQCLSA-N 0 0 267.319 3.339 20 10 CGCDRN [O-]c1c(C[NH2+]C2CCC(F)(F)CC2)ccc(F)c1F ZINC000703341438 799923233 /nfs/dbraw/zinc/92/32/33/799923233.db2.gz PLWAJNLFDFFVMU-UHFFFAOYSA-N 0 0 277.261 3.338 20 10 CGCDRN COc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000708487647 799990319 /nfs/dbraw/zinc/99/03/19/799990319.db2.gz ZRTFDFYIUJMAGP-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCOC1 ZINC000724013654 800353514 /nfs/dbraw/zinc/35/35/14/800353514.db2.gz QZMONXRAJRZAQX-JMSVASOKSA-N 0 0 281.371 3.387 20 10 CGCDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1Sc1nccs1 ZINC000804372815 800397558 /nfs/dbraw/zinc/39/75/58/800397558.db2.gz PRMUYMNVQHAJDK-UHFFFAOYSA-N 0 0 283.290 3.111 20 10 CGCDRN Cn1cc(/C=C/C(=O)N2CCC(C)(C)c3ccccc32)cn1 ZINC000809359455 800431795 /nfs/dbraw/zinc/43/17/95/800431795.db2.gz SGRZJHAULJTRFF-CMDGGOBGSA-N 0 0 295.386 3.148 20 10 CGCDRN CCc1cc(NCc2cccc(Cl)c2O)nc(C)n1 ZINC000897391942 800587969 /nfs/dbraw/zinc/58/79/69/800587969.db2.gz GOJQWFKFXIAWOM-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001116489101 802365440 /nfs/dbraw/zinc/36/54/40/802365440.db2.gz WVSYTJYSULGEKV-KGLIPLIRSA-N 0 0 282.815 3.008 20 10 CGCDRN C[C@@H](NC(=O)NC/C=C\C1CC1)c1ccc(N(C)C)cc1 ZINC001117855896 802507863 /nfs/dbraw/zinc/50/78/63/802507863.db2.gz NDQACARWWKTGAC-DSYXLKISSA-N 0 0 287.407 3.079 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001118423254 802566375 /nfs/dbraw/zinc/56/63/75/802566375.db2.gz GSTZHLXXAHYZFH-UHFFFAOYSA-N 0 0 291.700 3.462 20 10 CGCDRN Cc1cc(C)c(CNC(=S)Nc2ccccc2)c(O)c1 ZINC001200847976 811755714 /nfs/dbraw/zinc/75/57/14/811755714.db2.gz PUAJMCGIGXWXGZ-UHFFFAOYSA-N 0 0 286.400 3.496 20 10 CGCDRN Cc1ncc(C2CC2)cc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001244142753 803205991 /nfs/dbraw/zinc/20/59/91/803205991.db2.gz IRTCRQPNHNIMSE-UHFFFAOYSA-N 0 0 291.354 3.181 20 10 CGCDRN Cn1ccc(N(Cc2ccccc2)c2ccc(N)cc2)n1 ZINC001210352999 814416876 /nfs/dbraw/zinc/41/68/76/814416876.db2.gz FIHGAKNQGKIQPG-UHFFFAOYSA-N 0 0 278.359 3.341 20 10 CGCDRN O=C(Nc1nccs1)c1cc2cc(O)c(O)cc2s1 ZINC001135919024 803619925 /nfs/dbraw/zinc/61/99/25/803619925.db2.gz QZPSVAMBXMZKSL-UHFFFAOYSA-N 0 0 292.341 3.021 20 10 CGCDRN COc1c(F)c(F)ccc1N(C)c1ccc(N)cc1 ZINC001211899006 814953472 /nfs/dbraw/zinc/95/34/72/814953472.db2.gz WSLQKKKWCLANNW-UHFFFAOYSA-N 0 0 264.275 3.324 20 10 CGCDRN Cc1cc(CN2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137854370 803785437 /nfs/dbraw/zinc/78/54/37/803785437.db2.gz SRUBWSWQDJYSQO-OAHLLOKOSA-N 0 0 284.403 3.315 20 10 CGCDRN C[N@H+](CCc1cccc(F)c1)Cc1cccc(F)c1[O-] ZINC001138129906 803865965 /nfs/dbraw/zinc/86/59/65/803865965.db2.gz YPIGVMSLJLJUHB-UHFFFAOYSA-N 0 0 277.314 3.345 20 10 CGCDRN CC(C)OC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220394 803873632 /nfs/dbraw/zinc/87/36/32/803873632.db2.gz ASXZRQIVJJYKQF-UHFFFAOYSA-N 0 0 288.435 3.286 20 10 CGCDRN Cc1c(CN(C)CC(F)(F)F)c2ccccc2n1C ZINC001138252679 803882356 /nfs/dbraw/zinc/88/23/56/803882356.db2.gz PTICRZFWYYSASZ-UHFFFAOYSA-N 0 0 270.298 3.481 20 10 CGCDRN CC[C@H]1COCC[N@@H+]1Cc1c(C)n(C)c2ccccc21 ZINC001138258732 803884642 /nfs/dbraw/zinc/88/46/42/803884642.db2.gz ZUTQSVLTHAXJBE-AWEZNQCLSA-N 0 0 272.392 3.098 20 10 CGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H](C)CC12CC2 ZINC001139133587 804133474 /nfs/dbraw/zinc/13/34/74/804133474.db2.gz IJLDXIDPQPIFJB-NSHDSACASA-N 0 0 299.370 3.181 20 10 CGCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC2(C1)CCCC2 ZINC001139125405 804133513 /nfs/dbraw/zinc/13/35/13/804133513.db2.gz UBHLVYMSCUHTOS-UHFFFAOYSA-N 0 0 299.370 3.183 20 10 CGCDRN CCOc1ccncc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001139632920 804239478 /nfs/dbraw/zinc/23/94/78/804239478.db2.gz WCQZKXACFLHBRY-UHFFFAOYSA-N 0 0 299.418 3.178 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001139683054 804251573 /nfs/dbraw/zinc/25/15/73/804251573.db2.gz HELHMEVUTRCUEB-NSHDSACASA-N 0 0 290.313 3.055 20 10 CGCDRN Cc1cc(O)cc(C)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001139714986 804265942 /nfs/dbraw/zinc/26/59/42/804265942.db2.gz CACXFXCOTKFCBL-UHFFFAOYSA-N 0 0 283.371 3.273 20 10 CGCDRN Cc1ccc(Cl)c(-c2noc(-c3csnn3)n2)c1 ZINC001212362444 815010447 /nfs/dbraw/zinc/01/04/47/815010447.db2.gz UOGKRIIFZMWBAJ-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN c1cc2c(cccc2-c2noc(-c3csnn3)n2)o1 ZINC001212362096 815010842 /nfs/dbraw/zinc/01/08/42/815010842.db2.gz MIHUUHLWKBGEQT-UHFFFAOYSA-N 0 0 270.273 3.001 20 10 CGCDRN CN(CC(=O)c1ccccc1)Cc1c(O)cccc1Cl ZINC001140341745 804419382 /nfs/dbraw/zinc/41/93/82/804419382.db2.gz FXOFPXGWWFQSQV-UHFFFAOYSA-N 0 0 289.762 3.360 20 10 CGCDRN CC[N@H+](Cc1ccncc1)Cc1ccc(Cl)cc1O ZINC001140461944 804441388 /nfs/dbraw/zinc/44/13/88/804441388.db2.gz ZQQACPXXSDHMBO-UHFFFAOYSA-N 0 0 276.767 3.463 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccccc2Cl)no1 ZINC001212402971 815019498 /nfs/dbraw/zinc/01/94/98/815019498.db2.gz HCSVWHWUZXYNMW-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCc2ccccc2C1 ZINC001140579879 804466127 /nfs/dbraw/zinc/46/61/27/804466127.db2.gz KEFVMPOTNYYHGP-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN Cc1ccc(O)c(CN2CCC[C@H]2C(F)(F)F)c1 ZINC001140619376 804476769 /nfs/dbraw/zinc/47/67/69/804476769.db2.gz BXWOWYDFANIMNE-LBPRGKRZSA-N 0 0 259.271 3.227 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(-c4cnoc4)o3)cc2)c1 ZINC001256941367 807013270 /nfs/dbraw/zinc/01/32/70/807013270.db2.gz XFYAVCYODGDLJM-UHFFFAOYSA-N 0 0 278.271 3.182 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC001140924691 804550231 /nfs/dbraw/zinc/55/02/31/804550231.db2.gz MMAHYAGAZNAMOT-CZUORRHYSA-N 0 0 294.826 3.017 20 10 CGCDRN COc1cc(O)c(C[N@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC001141031261 804575784 /nfs/dbraw/zinc/57/57/84/804575784.db2.gz AKEZPJKDYZCJGO-TXEJJXNPSA-N 0 0 279.380 3.172 20 10 CGCDRN Oc1ccccc1CNC(=S)Nc1c(F)cccc1F ZINC001247099038 804662806 /nfs/dbraw/zinc/66/28/06/804662806.db2.gz YFDWKPJSBOQBNM-UHFFFAOYSA-N 0 0 294.326 3.157 20 10 CGCDRN Cc1cc([C@@H]2CCCN2Cc2cc(F)c(F)cc2O)no1 ZINC001142508771 804728003 /nfs/dbraw/zinc/72/80/03/804728003.db2.gz KZKXDQSLSKNLHU-AWEZNQCLSA-N 0 0 294.301 3.304 20 10 CGCDRN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2F)cc1 ZINC001143438344 804852653 /nfs/dbraw/zinc/85/26/53/804852653.db2.gz DPQYFRRGKRDJHQ-HOTGVXAUSA-N 0 0 284.334 3.160 20 10 CGCDRN CCCC(C)(C)C(=O)N1CCc2cccc(O)c2C1 ZINC001144115859 804937545 /nfs/dbraw/zinc/93/75/45/804937545.db2.gz OSFWGOREXDEFPE-UHFFFAOYSA-N 0 0 261.365 3.103 20 10 CGCDRN CC[N@H+](Cc1ccc2cc[nH]c2n1)Cc1ccccc1O ZINC001144186554 804950826 /nfs/dbraw/zinc/95/08/26/804950826.db2.gz YYUMRMHSLWRXQY-UHFFFAOYSA-N 0 0 281.359 3.291 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2CCOCC2)cc1Cl ZINC001248880477 805029476 /nfs/dbraw/zinc/02/94/76/805029476.db2.gz KAKAPCJYJYBWKH-UHFFFAOYSA-N 0 0 283.799 3.175 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)C1C[C@H](C)O[C@@H](C)C1 ZINC001257099135 807051187 /nfs/dbraw/zinc/05/11/87/807051187.db2.gz MOIXSDKIPDDIPI-STQMWFEESA-N 0 0 263.381 3.170 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C)c(F)c2F)c1 ZINC001147961771 805157573 /nfs/dbraw/zinc/15/75/73/805157573.db2.gz IXSXPXAOLNHGNS-UHFFFAOYSA-N 0 0 291.297 3.217 20 10 CGCDRN O=C(c1ccccc1C1CC1)N1CCc2cccc(O)c2C1 ZINC001148472481 805184631 /nfs/dbraw/zinc/18/46/31/805184631.db2.gz KZCOHUDVADVJGG-UHFFFAOYSA-N 0 0 293.366 3.468 20 10 CGCDRN Nc1ccc(N(CCO)c2cc3ccc(F)cc3[nH]2)cc1 ZINC001249875568 805273340 /nfs/dbraw/zinc/27/33/40/805273340.db2.gz HBSHLXCHVCCMTC-UHFFFAOYSA-N 0 0 285.322 3.020 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2cc3ccoc3cn2)c(O)c1 ZINC001153319837 805391329 /nfs/dbraw/zinc/39/13/29/805391329.db2.gz QVWVFDVIKLEXDA-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc(C2CC2)cn1 ZINC001154888486 805504341 /nfs/dbraw/zinc/50/43/41/805504341.db2.gz FNKAMWIFAGYHMD-UHFFFAOYSA-N 0 0 269.348 3.086 20 10 CGCDRN O=C(c1nnc(-c2ccc(-n3cccc3)cc2)o1)C1CC1 ZINC001256965418 807018189 /nfs/dbraw/zinc/01/81/89/807018189.db2.gz AXBXBCDRMRYIGY-UHFFFAOYSA-N 0 0 279.299 3.120 20 10 CGCDRN CNc1ccccc1N[C@H]1CCc2ccccc2[C@@H]1O ZINC001169630199 807679470 /nfs/dbraw/zinc/67/94/70/807679470.db2.gz NDHBRGJKGDQVBC-IRXDYDNUSA-N 0 0 268.360 3.189 20 10 CGCDRN Nc1ccc(N(c2ccc(N)cc2)c2cccc(=O)[nH]2)cc1 ZINC001212792193 815140278 /nfs/dbraw/zinc/14/02/78/815140278.db2.gz GBTWPLKDMWPVHC-UHFFFAOYSA-N 0 0 292.342 3.421 20 10 CGCDRN CCOc1ccc(NCc2ccc(O)c(O)c2)cc1C ZINC001169994803 807735407 /nfs/dbraw/zinc/73/54/07/807735407.db2.gz IDWKXICSUSCEFX-UHFFFAOYSA-N 0 0 273.332 3.417 20 10 CGCDRN Oc1ccc(CNc2cc(F)cc3cccnc32)cc1O ZINC001169995031 807735533 /nfs/dbraw/zinc/73/55/33/807735533.db2.gz PPAPCVLYWXLAOO-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN CO/C=C/c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169997186 807736039 /nfs/dbraw/zinc/73/60/39/807736039.db2.gz UYNROVSIMQOYEK-CMDGGOBGSA-N 0 0 271.316 3.327 20 10 CGCDRN COc1ccccc1C1(C(=O)Nc2ccc(N)cc2)CCC1 ZINC001261455893 807747661 /nfs/dbraw/zinc/74/76/61/807747661.db2.gz FRHMOEJHRNMWMV-UHFFFAOYSA-N 0 0 296.370 3.338 20 10 CGCDRN Cc1cc(NCC(=O)c2ccc(O)c(O)c2)cc2cc[nH]c21 ZINC001170322712 807826022 /nfs/dbraw/zinc/82/60/22/807826022.db2.gz NGVCCAQGPHREHV-UHFFFAOYSA-N 0 0 296.326 3.182 20 10 CGCDRN Cc1c[nH]c2c1cccc2NCC(=O)c1ccc(O)c(O)c1 ZINC001170323028 807826053 /nfs/dbraw/zinc/82/60/53/807826053.db2.gz UGRFOPPOQYAINI-UHFFFAOYSA-N 0 0 296.326 3.182 20 10 CGCDRN Cc1cc[n+]([O-])c(NCc2cc3ccccc3cc2O)c1 ZINC001171400772 808047193 /nfs/dbraw/zinc/04/71/93/808047193.db2.gz ZWCWXLUJAVYLFJ-UHFFFAOYSA-N 0 0 280.327 3.099 20 10 CGCDRN Cc1cccc(N(CCO)c2ccc(N)cc2)c1C ZINC001173952763 808781689 /nfs/dbraw/zinc/78/16/89/808781689.db2.gz DLAADROGJJNWGX-UHFFFAOYSA-N 0 0 256.349 3.016 20 10 CGCDRN Oc1cc(F)cc(F)c1Nc1ccnc2ccccc21 ZINC001174038227 808835573 /nfs/dbraw/zinc/83/55/73/808835573.db2.gz KKBLIMLOJMKYLK-UHFFFAOYSA-N 0 0 272.254 3.384 20 10 CGCDRN COc1ccc(F)c(N(C)c2ccc(N)cc2)c1F ZINC001175120516 809279465 /nfs/dbraw/zinc/27/94/65/809279465.db2.gz CDOJKWGBGDMGLW-UHFFFAOYSA-N 0 0 264.275 3.324 20 10 CGCDRN CCOc1ccc(OC)cc1N(C)c1ccc(N)cc1 ZINC001175214780 809310724 /nfs/dbraw/zinc/31/07/24/809310724.db2.gz VTOJWRQIPKDJCC-UHFFFAOYSA-N 0 0 272.348 3.444 20 10 CGCDRN COc1cc(N(CCO)c2ccc(N)cc2)ccc1Cl ZINC001175771921 809539020 /nfs/dbraw/zinc/53/90/20/809539020.db2.gz ZPFKQZAEVPLXMN-UHFFFAOYSA-N 0 0 292.766 3.061 20 10 CGCDRN COc1cc(Nc2ccc(N)cc2)c(F)cc1F ZINC001176110245 809624745 /nfs/dbraw/zinc/62/47/45/809624745.db2.gz ZQYCIDWHEPHBNS-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCOC1CCCCC1 ZINC001177142327 809783558 /nfs/dbraw/zinc/78/35/58/809783558.db2.gz FZWNYXGRRZLZMA-UHFFFAOYSA-N 0 0 299.361 3.499 20 10 CGCDRN Cc1cc(O)c(CNc2cccc3n[nH]nc32)c(Cl)c1 ZINC001178747714 809885837 /nfs/dbraw/zinc/88/58/37/809885837.db2.gz PKEJIVKOKMPTHN-UHFFFAOYSA-N 0 0 288.738 3.237 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)[C@]12C[C@H]1CCC2 ZINC001179037442 809901666 /nfs/dbraw/zinc/90/16/66/809901666.db2.gz VZQFLOGFFFZKFV-FZKQIMNGSA-N 0 0 281.355 3.352 20 10 CGCDRN CSCCCC(=O)NCc1c(O)ccc2ccccc21 ZINC001179032513 809901705 /nfs/dbraw/zinc/90/17/05/809901705.db2.gz JQSBAGZGOXUPIN-UHFFFAOYSA-N 0 0 289.400 3.305 20 10 CGCDRN C=C(F)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001180122461 809976320 /nfs/dbraw/zinc/97/63/20/809976320.db2.gz YNBIYHVLRKTICA-CQSZACIVSA-N 0 0 277.339 3.232 20 10 CGCDRN C[C@H]1N(Cc2cc(F)c(N(C)C)cc2F)CCOC1(C)C ZINC001180202858 809983055 /nfs/dbraw/zinc/98/30/55/809983055.db2.gz CFEMZZHRMLQYNY-LLVKDONJSA-N 0 0 298.377 3.030 20 10 CGCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])CC1(O)CCCCCC1 ZINC001181057203 810034106 /nfs/dbraw/zinc/03/41/06/810034106.db2.gz YJWGHJTWMCEJRX-UHFFFAOYSA-N 0 0 299.361 3.188 20 10 CGCDRN O=C(CCc1ccc(O)c(O)c1)Nc1ccc2[nH]ccc2c1 ZINC001182154305 810096344 /nfs/dbraw/zinc/09/63/44/810096344.db2.gz YIBZAWBZOGXEGJ-UHFFFAOYSA-N 0 0 296.326 3.150 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001182683857 810120885 /nfs/dbraw/zinc/12/08/85/810120885.db2.gz HHKUVHIBJVCRIN-UHFFFAOYSA-N 0 0 299.704 3.319 20 10 CGCDRN C[C@H](NCc1c(F)ccc(O)c1F)c1ccccc1O ZINC001183362318 810146911 /nfs/dbraw/zinc/14/69/11/810146911.db2.gz AQDPCVOIIXRASU-VIFPVBQESA-N 0 0 279.286 3.227 20 10 CGCDRN Cn1c2ccccc2nc1NCc1cc(F)c(F)cc1O ZINC001184450103 810200121 /nfs/dbraw/zinc/20/01/21/810200121.db2.gz HJJNSXRWWROIEM-UHFFFAOYSA-N 0 0 289.285 3.169 20 10 CGCDRN Nc1ccc(Nc2cccnc2N2CCCC2)cc1 ZINC001184968582 810226402 /nfs/dbraw/zinc/22/64/02/810226402.db2.gz QLKMXAYJFBWIIY-UHFFFAOYSA-N 0 0 254.337 3.008 20 10 CGCDRN CN(Cc1ccccc1O)c1nc2ccccc2nc1F ZINC001185838910 810295951 /nfs/dbraw/zinc/29/59/51/810295951.db2.gz SBNNDOXKBCCMRI-UHFFFAOYSA-N 0 0 283.306 3.111 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)NC1CC1 ZINC001191510621 810721552 /nfs/dbraw/zinc/72/15/52/810721552.db2.gz MZOUDYRYXKAHAW-HNNXBMFYSA-N 0 0 288.391 3.094 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCOC1CC1 ZINC001192313129 810785338 /nfs/dbraw/zinc/78/53/38/810785338.db2.gz ASUKYILZPDPHRH-UHFFFAOYSA-N 0 0 261.365 3.017 20 10 CGCDRN Cc1ccc(NC(=S)NCc2cc(F)ccn2)c(C)c1 ZINC001198013988 811472197 /nfs/dbraw/zinc/47/21/97/811472197.db2.gz AZDYEUCQBKEVJY-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2ccccc2C)nc1 ZINC001198438673 811502270 /nfs/dbraw/zinc/50/22/70/811502270.db2.gz YJAQSSVLRHJXGH-UHFFFAOYSA-N 0 0 271.389 3.185 20 10 CGCDRN Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC001199853898 811601756 /nfs/dbraw/zinc/60/17/56/811601756.db2.gz AEAODISKPYDZCB-UHFFFAOYSA-N 0 0 286.306 3.387 20 10 CGCDRN Cc1cccc(CNC(=S)NC2CCCCCC2)c1O ZINC001199978030 811622757 /nfs/dbraw/zinc/62/27/57/811622757.db2.gz AYTWTOLZQAAKFI-UHFFFAOYSA-N 0 0 292.448 3.388 20 10 CGCDRN CCCCNC(=S)NCc1cc2ccccc2cc1O ZINC001200465476 811696035 /nfs/dbraw/zinc/69/60/35/811696035.db2.gz QXPSTSGIAIRQAK-UHFFFAOYSA-N 0 0 288.416 3.310 20 10 CGCDRN COc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001202399901 812084464 /nfs/dbraw/zinc/08/44/64/812084464.db2.gz CNBUMIMBOGVJSY-NSHDSACASA-N 0 0 286.331 3.284 20 10 CGCDRN CCOc1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1 ZINC001215304409 815505472 /nfs/dbraw/zinc/50/54/72/815505472.db2.gz MUYXXLJESHPOQE-UHFFFAOYSA-N 0 0 298.298 3.214 20 10 CGCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccco2)C1 ZINC001203285346 812292491 /nfs/dbraw/zinc/29/24/91/812292491.db2.gz IEMMDLQITJENRD-UHFFFAOYSA-N 0 0 296.370 3.338 20 10 CGCDRN CCOc1cccc(CN2CCCCC(F)(F)C2)c1O ZINC001203602356 812405120 /nfs/dbraw/zinc/40/51/20/812405120.db2.gz QLWFLOVMPTXWGW-UHFFFAOYSA-N 0 0 285.334 3.412 20 10 CGCDRN CCOc1cccc(CN2CC[C@@H](C)C(F)(F)C2)c1O ZINC001203602147 812405391 /nfs/dbraw/zinc/40/53/91/812405391.db2.gz DOMUGPZBSJOOJS-LLVKDONJSA-N 0 0 285.334 3.268 20 10 CGCDRN CN(C)c1ccc(CN2CC(F)(F)C2)c2ccccc21 ZINC001204232654 812580136 /nfs/dbraw/zinc/58/01/36/812580136.db2.gz HNNSQVULILONOA-UHFFFAOYSA-N 0 0 276.330 3.357 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1ncccc1F ZINC001207034867 813469512 /nfs/dbraw/zinc/46/95/12/813469512.db2.gz FECLUXKWMLPINM-UHFFFAOYSA-N 0 0 287.382 3.309 20 10 CGCDRN CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1F ZINC001207621334 813618276 /nfs/dbraw/zinc/61/82/76/813618276.db2.gz FMQXDOOKJQBMAO-RISCZKNCSA-N 0 0 251.345 3.446 20 10 CGCDRN O=C1CCc2ccc(Nc3ccc4c(c3)OCCN4)cc21 ZINC001209728933 814123199 /nfs/dbraw/zinc/12/31/99/814123199.db2.gz WEXSFTWHGLMXHT-UHFFFAOYSA-N 0 0 280.327 3.363 20 10 CGCDRN Cc1cc(C)c(N)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766917 814134516 /nfs/dbraw/zinc/13/45/16/814134516.db2.gz YASMLMSFRWCIGQ-UHFFFAOYSA-N 0 0 269.348 3.434 20 10 CGCDRN c1cc(Nc2ccc3c(c2)OCCN3)cc(C2OCCO2)c1 ZINC001209767603 814134745 /nfs/dbraw/zinc/13/47/45/814134745.db2.gz NBIANWYLMVATDO-UHFFFAOYSA-N 0 0 298.342 3.280 20 10 CGCDRN CN1CCc2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001209789891 814141104 /nfs/dbraw/zinc/14/11/04/814141104.db2.gz URRZWFJHXCOPCW-UHFFFAOYSA-N 0 0 281.359 3.227 20 10 CGCDRN CN(c1ccc(N)cc1)c1cnccc1Br ZINC001211235295 814856341 /nfs/dbraw/zinc/85/63/41/814856341.db2.gz JZDWFEZGCDEGNN-UHFFFAOYSA-N 0 0 278.153 3.194 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc(Cl)nc2Cl)cc1 ZINC001211274445 814868332 /nfs/dbraw/zinc/86/83/32/814868332.db2.gz JIFPKQLGMWCXHC-UHFFFAOYSA-N 0 0 298.173 3.101 20 10 CGCDRN COc1c(C)cc(C)cc1Nc1cccc(O)c1O ZINC001215998297 815656130 /nfs/dbraw/zinc/65/61/30/815656130.db2.gz CUTHPFSQHAOPFJ-UHFFFAOYSA-N 0 0 259.305 3.467 20 10 CGCDRN O=C1C[C@@H](Oc2ccccc2NN=C2C=CC=CC2=O)CN1 ZINC001218337163 816172221 /nfs/dbraw/zinc/17/22/21/816172221.db2.gz NNGZMXWEBBSBGS-VFGLMNNVSA-N 0 0 297.314 3.075 20 10 CGCDRN Cc1ccc2c(cccc2NC(=O)Cc2ccc(N)cc2)n1 ZINC001218958481 816259445 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819513337 /nfs/dbraw/zinc/51/33/37/819513337.db2.gz DANSUGUWHODVIW-UHFFFAOYSA-N 0 0 286.375 3.354 20 10 CGCDRN CCc1ccc(CN2CC[C@@H](CF)C(F)(F)C2)c(O)c1 ZINC001236783346 819593430 /nfs/dbraw/zinc/59/34/30/819593430.db2.gz KJZVAKGKJZNMPP-ZDUSSCGKSA-N 0 0 287.325 3.381 20 10 CGCDRN COc1ccc(C[NH+]2CCC(C)(F)CC2)c([O-])c1Cl ZINC001236802517 819599937 /nfs/dbraw/zinc/59/99/37/819599937.db2.gz RMTXBEFQHVNWSK-UHFFFAOYSA-N 0 0 287.762 3.378 20 10 CGCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001237077431 819660388 /nfs/dbraw/zinc/66/03/88/819660388.db2.gz HPJOTYHAXNCWIL-ZYHUDNBSSA-N 0 0 288.174 3.062 20 10 CGCDRN CO[C@H](C)C1C[NH+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085736 819664208 /nfs/dbraw/zinc/66/42/08/819664208.db2.gz HGCBUDNBXWSZBV-MRVPVSSYSA-N 0 0 290.190 3.166 20 10 CGCDRN C[C@@]1(F)CCN(Cc2c(O)ccc(F)c2Cl)C[C@H]1F ZINC001237119172 819671927 /nfs/dbraw/zinc/67/19/27/819671927.db2.gz BPKWCXOEKPSSSH-DGCLKSJQSA-N 0 0 293.716 3.457 20 10 CGCDRN C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1F ZINC001237137887 819675386 /nfs/dbraw/zinc/67/53/86/819675386.db2.gz QLZFVWZQCFARMG-KCJUWKMLSA-N 0 0 277.261 3.201 20 10 CGCDRN CN(Cc1cc(C(F)(F)F)ccc1O)CC(F)(F)F ZINC001237138907 819677071 /nfs/dbraw/zinc/67/70/71/819677071.db2.gz ZVDXCSXUDMMGMG-UHFFFAOYSA-N 0 0 287.203 3.405 20 10 CGCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC2CC(C2)C1 ZINC001237804895 819848155 /nfs/dbraw/zinc/84/81/55/819848155.db2.gz HVJUAVZRQBZQAS-UHFFFAOYSA-N 0 0 255.720 3.027 20 10 CGCDRN CCOC1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237813148 819851311 /nfs/dbraw/zinc/85/13/11/819851311.db2.gz KVIKTMVIHUPGOT-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN COC1(C)CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237935201 819889543 /nfs/dbraw/zinc/88/95/43/819889543.db2.gz RFGKKMCOOWCEPX-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN Cc1nc2c(-c3ccc4ccn(C)c4c3)cccn2n1 ZINC001240574059 821159401 /nfs/dbraw/zinc/15/94/01/821159401.db2.gz QLHPYMMSUIPQGC-UHFFFAOYSA-N 0 0 262.316 3.196 20 10 CGCDRN Cn1ccc2ccc(-c3ccc(=O)n(C(F)F)c3)cc21 ZINC001240573829 821159804 /nfs/dbraw/zinc/15/98/04/821159804.db2.gz LMQWBHPGWWUOKK-UHFFFAOYSA-N 0 0 274.270 3.402 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cnn([C@@H]2CCCCO2)c1 ZINC001240671221 821231766 /nfs/dbraw/zinc/23/17/66/821231766.db2.gz BHCNKZGLYXBXHZ-HNNXBMFYSA-N 0 0 282.347 3.136 20 10 CGCDRN Cc1ncccc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001240730598 821283840 /nfs/dbraw/zinc/28/38/40/821283840.db2.gz SCHOUHHEMLCAGX-UHFFFAOYSA-N 0 0 294.329 3.406 20 10 CGCDRN O=c1cc(-c2cccc3cccnc32)ccn1CC1CC1 ZINC001240895439 821398770 /nfs/dbraw/zinc/39/87/70/821398770.db2.gz NVWWHXYLBNGSJC-UHFFFAOYSA-N 0 0 276.339 3.474 20 10 CGCDRN Cc1cn2cc(C3=CCN(c4ccccc4)CC3)ncc2n1 ZINC001241354406 821756372 /nfs/dbraw/zinc/75/63/72/821756372.db2.gz CBQCXUYLEGXWPB-UHFFFAOYSA-N 0 0 290.370 3.331 20 10 CGCDRN Cc1ncc(C2=CCN(c3ccccc3)CC2)c(C)n1 ZINC001241355473 821757197 /nfs/dbraw/zinc/75/71/97/821757197.db2.gz QZWLFHUQLOZTAE-UHFFFAOYSA-N 0 0 265.360 3.387 20 10 CGCDRN 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CC[C@@](C)([NH2+]Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001308869444 928549511 /nfs/dbraw/zinc/54/95/11/928549511.db2.gz LSTJRWBSTHCPAT-CQSZACIVSA-N 0 0 255.308 3.339 20 10 CGCDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)C1=CC(=O)CS1 ZINC001440714105 937332960 /nfs/dbraw/zinc/33/29/60/937332960.db2.gz POALLNMQALKFRB-SECBINFHSA-N 0 0 279.336 3.426 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N1CCCc2cccc(O)c21 ZINC001447112664 937367276 /nfs/dbraw/zinc/36/72/76/937367276.db2.gz PNKHIFXRBGKYGV-MDZDMXLPSA-N 0 0 294.354 3.088 20 10 CGCDRN C[C@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccccc1O ZINC001454818724 937412697 /nfs/dbraw/zinc/41/26/97/937412697.db2.gz NQOBHFFUUGTVQY-JTQLQIEISA-N 0 0 291.297 3.090 20 10 CGCDRN C[C@@H](NC(=O)c1ccnc2ccccc21)c1ccccc1O ZINC001454800610 937412724 /nfs/dbraw/zinc/41/27/24/937412724.db2.gz YCZBKXRYQFEPBB-GFCCVEGCSA-N 0 0 292.338 3.431 20 10 CGCDRN CSc1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001455036316 937414580 /nfs/dbraw/zinc/41/45/80/937414580.db2.gz GJNLZJQEPSKIRO-UHFFFAOYSA-N 0 0 285.368 3.270 20 10 CGCDRN 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279.380 3.068 20 10 CGCDRN C[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)C=CCC1 ZINC001545639269 938150264 /nfs/dbraw/zinc/15/02/64/938150264.db2.gz IPBIRCGIZRPFRZ-SFHVURJKSA-N 0 0 285.387 3.244 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1ccc(O)c(C)c1 ZINC001557897601 938212303 /nfs/dbraw/zinc/21/23/03/938212303.db2.gz GOSKISOOCYXSFC-LCYFTJDESA-N 0 0 282.343 3.162 20 10 CGCDRN C[C@@H](NC(=O)c1c(F)cccc1F)c1ccccc1O ZINC001557967293 938212806 /nfs/dbraw/zinc/21/28/06/938212806.db2.gz ZOMLSAHSMSLHPY-SECBINFHSA-N 0 0 277.270 3.161 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)cc(C)n2)c(OC)c1 ZINC001559666133 938232261 /nfs/dbraw/zinc/23/22/61/938232261.db2.gz YZDZHICVQWBDDP-UHFFFAOYSA-N 0 0 286.375 3.352 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H](OCC)C2CC2)cc1 ZINC001560124693 938244489 /nfs/dbraw/zinc/24/44/89/938244489.db2.gz BRXKLBYQYLYRJR-MRXNPFEDSA-N 0 0 263.381 3.337 20 10 CGCDRN CC(C)c1cnc(CNCc2ccc3c(c2)CCO3)s1 ZINC001560303113 938252067 /nfs/dbraw/zinc/25/20/67/938252067.db2.gz XGDJJRSDXAXEHX-UHFFFAOYSA-N 0 0 288.416 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C[C@@H]([NH2+]CCC1(C(=O)[O-])CCC1)c1ccc(N(C)C)cc1 ZINC001573630880 962265089 /nfs/dbraw/zinc/26/50/89/962265089.db2.gz MTEVMCNSVRYMKS-CYBMUJFWSA-N 0 0 290.407 3.048 20 10 CGCDRN CCc1cccc(NC(=O)NCc2ccc(N)cc2)c1 ZINC001578266765 962580907 /nfs/dbraw/zinc/58/09/07/962580907.db2.gz QBNXTGKYOYNXTL-UHFFFAOYSA-N 0 0 269.348 3.153 20 10 CGCDRN Cc1cc(O)c(C[NH+]2CCC(C)(C(=O)[O-])CC2)cc1Cl ZINC001605213545 972957819 /nfs/dbraw/zinc/95/78/19/972957819.db2.gz SHWGNTPQDAOLCV-UHFFFAOYSA-N 0 0 297.782 3.041 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593222106 994331227 /nfs/dbraw/zinc/33/12/27/994331227.db2.gz HDPSMYRPPIONOL-KOLCDFICSA-N 0 0 299.317 3.319 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccs1)c1cc(C(=O)[O-])ccc1O ZINC001593305622 994766170 /nfs/dbraw/zinc/76/61/70/994766170.db2.gz YPYMJNFAPFIPPT-SECBINFHSA-N 0 0 277.345 3.003 20 10 CGCDRN CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187714992 282282184 /nfs/dbraw/zinc/28/21/84/282282184.db2.gz KEUYITMFDZIWTN-NOZJJQNGSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000043046150 344994042 /nfs/dbraw/zinc/99/40/42/344994042.db2.gz ZCFIOKYXZFWKPH-GXTWGEPZSA-N 0 0 276.380 3.112 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccsc1 ZINC000053661857 345124327 /nfs/dbraw/zinc/12/43/27/345124327.db2.gz ZZCXITQWBPIXOF-UHFFFAOYSA-N 0 0 288.416 3.476 20 10 CGCDRN CC[C@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000058557730 345197197 /nfs/dbraw/zinc/19/71/97/345197197.db2.gz DDXRURHNWLPAKA-ZDUSSCGKSA-N 0 0 262.397 3.147 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCCc1ccccc1 ZINC000071963597 345405673 /nfs/dbraw/zinc/40/56/73/345405673.db2.gz PTTJIVSXSCZUBK-UHFFFAOYSA-N 0 0 283.371 3.374 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC=CC1 ZINC000076964089 345555742 /nfs/dbraw/zinc/55/57/42/345555742.db2.gz UKCMVJRJVGKDSP-UHFFFAOYSA-N 0 0 272.392 3.067 20 10 CGCDRN CCC[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000297447408 283884176 /nfs/dbraw/zinc/88/41/76/283884176.db2.gz WRWZYFPGJQDVKH-VHSXEESVSA-N 0 0 273.323 3.136 20 10 CGCDRN CN(C)c1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092728313 370100271 /nfs/dbraw/zinc/10/02/71/370100271.db2.gz HSYKKFVSHNYCDW-MRXNPFEDSA-N 0 0 284.407 3.203 20 10 CGCDRN COc1ccc(N(Cc2nccn2C)[C@H](C)C2CC2)cc1 ZINC000111236655 370394099 /nfs/dbraw/zinc/39/40/99/370394099.db2.gz ALIVGIMXVLQVSZ-CYBMUJFWSA-N 0 0 285.391 3.234 20 10 CGCDRN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290568532 372018676 /nfs/dbraw/zinc/01/86/76/372018676.db2.gz SXRXXKKPTKULCM-ZYHUDNBSSA-N 0 0 294.351 3.072 20 10 CGCDRN CCCCOCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164421156 372518470 /nfs/dbraw/zinc/51/84/70/372518470.db2.gz YSFHOLBKOCMISQ-UHFFFAOYSA-N 0 0 271.788 3.342 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168864850 372621081 /nfs/dbraw/zinc/62/10/81/372621081.db2.gz STAWEJQPQKZGGD-MWLCHTKSSA-N 0 0 257.374 3.324 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC(F)(F)C1 ZINC000294628680 372662672 /nfs/dbraw/zinc/66/26/72/372662672.db2.gz JPHSHPSEWDLXBB-UHFFFAOYSA-N 0 0 265.662 3.072 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CCCCO)c1ccc(F)cc1[O-] ZINC000296272392 373074578 /nfs/dbraw/zinc/07/45/78/373074578.db2.gz DRPNKGHXGSZCIV-FZMZJTMJSA-N 0 0 269.360 3.123 20 10 CGCDRN OCCc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000296631832 373202079 /nfs/dbraw/zinc/20/20/79/373202079.db2.gz CIWORWXLOFHSGZ-OAHLLOKOSA-N 0 0 269.344 3.026 20 10 CGCDRN COC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000297309310 373265095 /nfs/dbraw/zinc/26/50/95/373265095.db2.gz MTEWICUTJMMRGM-NSHDSACASA-N 0 0 267.344 3.141 20 10 CGCDRN CCCCC[C@@H](CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000181443106 374123985 /nfs/dbraw/zinc/12/39/85/374123985.db2.gz USGFXCJAMYUFKX-CQSZACIVSA-N 0 0 293.407 3.363 20 10 CGCDRN Cc1cc(O)c(CNc2nc(C(C)C)no2)cc1C ZINC000181859389 374184214 /nfs/dbraw/zinc/18/42/14/374184214.db2.gz RECVWZKNEVYGDR-UHFFFAOYSA-N 0 0 261.325 3.128 20 10 CGCDRN COC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccc(C)o1 ZINC000182529852 374287973 /nfs/dbraw/zinc/28/79/73/374287973.db2.gz ZCMPGOFMSLNXSR-CYBMUJFWSA-N 0 0 295.766 3.424 20 10 CGCDRN CCCCCC[C@@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000182545841 374288229 /nfs/dbraw/zinc/28/82/29/374288229.db2.gz FOSAJELKUPCYCF-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN CCCC[C@@H](CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183458046 374416360 /nfs/dbraw/zinc/41/63/60/374416360.db2.gz RXLPCEUSNFJRDP-GXTWGEPZSA-N 0 0 293.407 3.361 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC(C)(C)C ZINC000183468678 374418244 /nfs/dbraw/zinc/41/82/44/374418244.db2.gz YMYQDQSERAVIMC-LBPRGKRZSA-N 0 0 293.407 3.361 20 10 CGCDRN CCCCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472299338 375018098 /nfs/dbraw/zinc/01/80/98/375018098.db2.gz VJUABBQKFBDOEP-UHFFFAOYSA-N 0 0 287.407 3.428 20 10 CGCDRN C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000187695081 375075393 /nfs/dbraw/zinc/07/53/93/375075393.db2.gz GVINZQNZUVNTOJ-HZMBPMFUSA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)c(F)c1[O-] ZINC000187786630 375095042 /nfs/dbraw/zinc/09/50/42/375095042.db2.gz ZGBGVZQZIHZFSB-VHSXEESVSA-N 0 0 253.292 3.430 20 10 CGCDRN O=C(/C=C/c1cncs1)N1CCSc2ccccc21 ZINC000493853934 375483025 /nfs/dbraw/zinc/48/30/25/375483025.db2.gz IYTBSXUIECTZPN-AATRIKPKSA-N 0 0 288.397 3.295 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N(C)C(C)C ZINC000190641335 375526667 /nfs/dbraw/zinc/52/66/67/375526667.db2.gz PANPXGAJAYKDBY-UHFFFAOYSA-N 0 0 277.412 3.035 20 10 CGCDRN CC1(C)[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H]2CCO[C@@H]21 ZINC000191179973 375590559 /nfs/dbraw/zinc/59/05/59/375590559.db2.gz XTILVSSKXSGNGX-PCTYZZJISA-N 0 0 299.773 3.088 20 10 CGCDRN Nc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000237983275 376769182 /nfs/dbraw/zinc/76/91/82/376769182.db2.gz QVDNNVQGSYZPJX-UHFFFAOYSA-N 0 0 280.371 3.329 20 10 CGCDRN COc1ccc(N(Cc2nnc(C)s2)C(C)C)cc1F ZINC000271448845 378493658 /nfs/dbraw/zinc/49/36/58/378493658.db2.gz RJNUOETXCHZLBH-UHFFFAOYSA-N 0 0 295.383 3.409 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2C)cc1OC ZINC000271752132 378503370 /nfs/dbraw/zinc/50/33/70/378503370.db2.gz VZWDBXZZRZTXTE-NWDGAFQWSA-N 0 0 279.380 3.030 20 10 CGCDRN CCCc1cnc(NC(=O)NCc2ccccc2O)s1 ZINC000272080275 378559578 /nfs/dbraw/zinc/55/95/78/378559578.db2.gz QZFOKAQXGHUSLO-UHFFFAOYSA-N 0 0 291.376 3.123 20 10 CGCDRN C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273411995 378745412 /nfs/dbraw/zinc/74/54/12/378745412.db2.gz PXYAJLSGSFEBEK-SECBINFHSA-N 0 0 276.336 3.140 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000273530857 378752787 /nfs/dbraw/zinc/75/27/87/378752787.db2.gz WGVPTWIQTSGMPO-DGCLKSJQSA-N 0 0 279.355 3.284 20 10 CGCDRN CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000273612695 378755936 /nfs/dbraw/zinc/75/59/36/378755936.db2.gz WQSVXYJFEUJEKT-WDBKCZKBSA-N 0 0 267.344 3.140 20 10 CGCDRN CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276927378 379023222 /nfs/dbraw/zinc/02/32/22/379023222.db2.gz NNHMUKLCRAJMSF-LYOVBCGYSA-N 0 0 299.361 3.382 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1cnc2c(c1)COCC2 ZINC000375054973 379485330 /nfs/dbraw/zinc/48/53/30/379485330.db2.gz QVVDMAPOQOHJOI-UHFFFAOYSA-N 0 0 290.750 3.125 20 10 CGCDRN CC(C)n1ccc(COc2ccc(N(C)C)cc2)n1 ZINC000281166517 379821447 /nfs/dbraw/zinc/82/14/47/379821447.db2.gz MAMSGMCMESATMA-UHFFFAOYSA-N 0 0 259.353 3.109 20 10 CGCDRN CCCCN(Cc1nnc(C)s1)Cc1ccccc1O ZINC000282488726 379929998 /nfs/dbraw/zinc/92/99/98/379929998.db2.gz POZFICMEVXBVQU-UHFFFAOYSA-N 0 0 291.420 3.354 20 10 CGCDRN C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc(O)c1O ZINC000282369246 379905680 /nfs/dbraw/zinc/90/56/80/379905680.db2.gz BYYGGFKXAMCOKI-NSHDSACASA-N 0 0 277.364 3.139 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000286078821 380158433 /nfs/dbraw/zinc/15/84/33/380158433.db2.gz LLHJSUNBTRVBCZ-NOZJJQNGSA-N 0 0 263.316 3.056 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(F)cc1[O-] ZINC000286028760 380158539 /nfs/dbraw/zinc/15/85/39/380158539.db2.gz JAMYRQGJWGHUIN-TZMCWYRMSA-N 0 0 267.344 3.141 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(F)cc1[O-] ZINC000286034405 380158812 /nfs/dbraw/zinc/15/88/12/380158812.db2.gz KGUBZIOSNOPGKY-ZDUSSCGKSA-N 0 0 264.300 3.069 20 10 CGCDRN COc1ccc(C)cc1NC(=O)C1=CC(=O)CS1 ZINC000732257931 572458317 /nfs/dbraw/zinc/45/83/17/572458317.db2.gz ABSJLVKRVJPOKS-UHFFFAOYSA-N 0 0 263.318 3.023 20 10 CGCDRN Cc1ccc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000742398348 572577414 /nfs/dbraw/zinc/57/74/14/572577414.db2.gz PLSUMSSSAKWPAG-UHFFFAOYSA-N 0 0 259.328 3.207 20 10 CGCDRN COc1cccc(CNC(=O)C[C@H](C)c2ccccc2)c1O ZINC000105652877 392293628 /nfs/dbraw/zinc/29/36/28/392293628.db2.gz WTPRQDBZIJPJRW-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN COc1ccc(N(Cc2nc(C)no2)[C@H](C)C2CC2)cc1 ZINC000109773928 392372782 /nfs/dbraw/zinc/37/27/82/392372782.db2.gz LTZCUOOIUPVZGP-LLVKDONJSA-N 0 0 287.363 3.192 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc(Cl)c1[O-] ZINC000287613487 392401430 /nfs/dbraw/zinc/40/14/30/392401430.db2.gz JJQJOKWNYMINIV-BXUZGUMPSA-N 0 0 282.815 3.181 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CCCO)c1cccc(Cl)c1[O-] ZINC000287702056 392402834 /nfs/dbraw/zinc/40/28/34/392402834.db2.gz NRBDLXDJUAMVPN-ZWNOBZJWSA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)c(O)c1O ZINC000179435620 392702685 /nfs/dbraw/zinc/70/26/85/392702685.db2.gz HIGBHKIOFDOGFR-SNVBAGLBSA-N 0 0 291.372 3.301 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000193804770 392886902 /nfs/dbraw/zinc/88/69/02/392886902.db2.gz LMEVHHMQSDIZLK-JTQLQIEISA-N 0 0 269.385 3.468 20 10 CGCDRN CSC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000193363548 392876268 /nfs/dbraw/zinc/87/62/68/392876268.db2.gz QDRQFWZOEUHQHK-UHFFFAOYSA-N 0 0 271.813 3.421 20 10 CGCDRN Cc1ncsc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348665344 393126922 /nfs/dbraw/zinc/12/69/22/393126922.db2.gz ZDPPNHWCGRMQCL-UHFFFAOYSA-N 0 0 299.399 3.182 20 10 CGCDRN CC[C@@H]([NH2+]CCN(C)CC)c1cccc(Cl)c1[O-] ZINC000287797817 286907446 /nfs/dbraw/zinc/90/74/46/286907446.db2.gz TYPIVCVYFIFDQB-CYBMUJFWSA-N 0 0 270.804 3.038 20 10 CGCDRN Cc1cc(C)cc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000020185771 171049313 /nfs/dbraw/zinc/04/93/13/171049313.db2.gz KLKJUGSAWCYERK-UHFFFAOYSA-N 0 0 254.333 3.067 20 10 CGCDRN CCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1 ZINC000020608730 171267525 /nfs/dbraw/zinc/26/75/25/171267525.db2.gz BASSSDVFZBBUMC-FMIVXFBMSA-N 0 0 293.413 3.306 20 10 CGCDRN CCN(CC)c1ccc(CNCC(F)(F)F)cc1 ZINC000021516925 171313278 /nfs/dbraw/zinc/31/32/78/171313278.db2.gz CORRRVGVEHFMQU-UHFFFAOYSA-N 0 0 260.303 3.185 20 10 CGCDRN CC(C)c1ccc(C(=O)N(C)Cc2ccccc2O)cn1 ZINC000155439519 261102060 /nfs/dbraw/zinc/10/20/60/261102060.db2.gz MZXUEZAIKSDSMS-UHFFFAOYSA-N 0 0 284.359 3.183 20 10 CGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000185528905 262058951 /nfs/dbraw/zinc/05/89/51/262058951.db2.gz IMLNITYOIRYPQF-BMIGLBTASA-N 0 0 295.379 3.151 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1cc2c(cc1O)CCCC2 ZINC000185609126 262061810 /nfs/dbraw/zinc/06/18/10/262061810.db2.gz MATCHYGVMYFUCI-CYBMUJFWSA-N 0 0 291.435 3.330 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1cccs1 ZINC000186827542 262110937 /nfs/dbraw/zinc/11/09/37/262110937.db2.gz PBIVWCWRINPIBM-LLVKDONJSA-N 0 0 289.356 3.137 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C)c1 ZINC000186143350 262311966 /nfs/dbraw/zinc/31/19/66/262311966.db2.gz NALXOFGKXLBRBX-CHWSQXEVSA-N 0 0 265.397 3.148 20 10 CGCDRN CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000296109934 263186132 /nfs/dbraw/zinc/18/61/32/263186132.db2.gz ZMAVINWQIVFMSC-QWRGUYRKSA-N 0 0 277.343 3.160 20 10 CGCDRN Cc1cc(O)c(CN2CCOC[C@H]2c2ccco2)cc1C ZINC000369773668 267265336 /nfs/dbraw/zinc/26/53/36/267265336.db2.gz QFZNHPBCAHAFIR-HNNXBMFYSA-N 0 0 287.359 3.176 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c(O)c1O ZINC000376868101 268026490 /nfs/dbraw/zinc/02/64/90/268026490.db2.gz DHFWYXUSQPKYPW-PIGZYNQJSA-N 0 0 289.375 3.059 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1cccc(Cl)c1[O-] ZINC000287535823 288044097 /nfs/dbraw/zinc/04/40/97/288044097.db2.gz DVODAKBTQVRQTL-QWHCGFSZSA-N 0 0 271.788 3.103 20 10 CGCDRN CC[C@H]([NH2+]CCCCCO)c1cccc(Cl)c1[O-] ZINC000287043318 288039172 /nfs/dbraw/zinc/03/91/72/288039172.db2.gz MLJPGSOAPSTSJJ-ZDUSSCGKSA-N 0 0 271.788 3.249 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)N(C)C)c1cccc(Cl)c1[O-] ZINC000287626924 288043678 /nfs/dbraw/zinc/04/36/78/288043678.db2.gz KCSQVDTYGQPLFS-MFKMUULPSA-N 0 0 270.804 3.036 20 10 CGCDRN O=C(NCc1ccccc1O)C12CC3CC(CC(C3)C1)C2 ZINC000133788531 327199725 /nfs/dbraw/zinc/19/97/25/327199725.db2.gz ADDOVIFFHIXKNH-UHFFFAOYSA-N 0 0 285.387 3.225 20 10 CGCDRN C[C@H]1COCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000359868153 327396227 /nfs/dbraw/zinc/39/62/27/327396227.db2.gz HGRFMGZKSHFJEO-SECBINFHSA-N 0 0 290.190 3.167 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000180316585 329219705 /nfs/dbraw/zinc/21/97/05/329219705.db2.gz LSHQUSAVYIGHFI-RISCZKNCSA-N 0 0 281.783 3.047 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(C2CC2)CC1 ZINC000224915002 329245971 /nfs/dbraw/zinc/24/59/71/329245971.db2.gz QAJASWQFSUJIOD-UHFFFAOYSA-N 0 0 251.757 3.325 20 10 CGCDRN Cc1cc(O)c(CNc2cccc3c2OCC[C@H]3O)cc1C ZINC000184068442 329255632 /nfs/dbraw/zinc/25/56/32/329255632.db2.gz AYDQRIJRIRDWNB-MRXNPFEDSA-N 0 0 299.370 3.437 20 10 CGCDRN Cc1ncccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000527987936 330298973 /nfs/dbraw/zinc/29/89/73/330298973.db2.gz QFJCQBMXTDUKKD-LLVKDONJSA-N 0 0 260.312 3.086 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1cccnc1 ZINC000121252706 330398559 /nfs/dbraw/zinc/39/85/59/330398559.db2.gz XCRXIAPDXZUQII-ZHACJKMWSA-N 0 0 282.343 3.157 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]1C1CC1 ZINC000458724623 331257937 /nfs/dbraw/zinc/25/79/37/331257937.db2.gz BEIRHLGXIXVTIC-HNNXBMFYSA-N 0 0 297.402 3.181 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000167509813 331308355 /nfs/dbraw/zinc/30/83/55/331308355.db2.gz AHEGYPWPAMLFFL-ARFHVFGLSA-N 0 0 286.419 3.492 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)C(F)F ZINC000471225864 331504061 /nfs/dbraw/zinc/50/40/61/331504061.db2.gz AIOSPQYAQHLMAG-UHFFFAOYSA-N 0 0 294.345 3.394 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc(F)cc1 ZINC000490605804 332095108 /nfs/dbraw/zinc/09/51/08/332095108.db2.gz MDWLZTFXWLYLHA-BJMVGYQFSA-N 0 0 270.307 3.287 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2S1 ZINC000492112426 332383393 /nfs/dbraw/zinc/38/33/93/332383393.db2.gz UFMXDNOUYJFDHR-NNNHXZLVSA-N 0 0 297.383 3.017 20 10 CGCDRN CCN(C(=O)/C=C\c1cncs1)c1cccc(OC)c1 ZINC000492995514 332421943 /nfs/dbraw/zinc/42/19/43/332421943.db2.gz UUDJTWBEELDZFO-FPLPWBNLSA-N 0 0 288.372 3.218 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000237886711 333381968 /nfs/dbraw/zinc/38/19/68/333381968.db2.gz IORDDEIFMKDGMK-UHFFFAOYSA-N 0 0 294.398 3.218 20 10 CGCDRN CCCOc1cncc(NCc2cccc(F)c2O)c1 ZINC000529649818 333503660 /nfs/dbraw/zinc/50/36/60/333503660.db2.gz BHLYFACONYHNES-UHFFFAOYSA-N 0 0 276.311 3.327 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc(F)c(F)c1 ZINC000078287499 334129859 /nfs/dbraw/zinc/12/98/59/334129859.db2.gz VDNFRICTYCCRJN-VMPITWQZSA-N 0 0 288.297 3.426 20 10 CGCDRN CC(C)=CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298434458 519393769 /nfs/dbraw/zinc/39/37/69/519393769.db2.gz XOUJGIZBOFIFNM-UHFFFAOYSA-N 0 0 272.392 3.210 20 10 CGCDRN CC(C)OCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273369680 519760975 /nfs/dbraw/zinc/76/09/75/519760975.db2.gz AIFYVRAREANSEI-LBPRGKRZSA-N 0 0 296.367 3.156 20 10 CGCDRN CC(C)C[C@@H](C)OCCC(=O)N(C)Cc1ccccc1O ZINC000088296388 519773500 /nfs/dbraw/zinc/77/35/00/519773500.db2.gz OEMILDMCWFSANP-CQSZACIVSA-N 0 0 293.407 3.192 20 10 CGCDRN CCCCCC[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122770379 520109804 /nfs/dbraw/zinc/10/98/04/520109804.db2.gz PDNUYRBLWQTNAJ-CYBMUJFWSA-N 0 0 293.407 3.363 20 10 CGCDRN CCOc1cccc(CNc2cn(C)nc2C(C)C)c1O ZINC000280371068 521378445 /nfs/dbraw/zinc/37/84/45/521378445.db2.gz UTXBKTYTUYVCBT-UHFFFAOYSA-N 0 0 289.379 3.260 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1CC ZINC000280730689 521688787 /nfs/dbraw/zinc/68/87/87/521688787.db2.gz INKZACANYLXUGO-TZMCWYRMSA-N 0 0 276.380 3.112 20 10 CGCDRN COc1c([O-])c(C[NH2+]CC(C)(C)C(C)C)ccc1[N+](=O)[O-] ZINC000278437473 521876205 /nfs/dbraw/zinc/87/62/05/521876205.db2.gz VCUFLYJZGPDNGQ-UHFFFAOYSA-N 0 0 296.367 3.081 20 10 CGCDRN CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000237055254 523034219 /nfs/dbraw/zinc/03/42/19/523034219.db2.gz GQXTXWJLYFORSA-OAHLLOKOSA-N 0 0 276.380 3.335 20 10 CGCDRN C[C@@H](NC(=O)COc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277764320 525118561 /nfs/dbraw/zinc/11/85/61/525118561.db2.gz KSCAMLILQORMAH-CQSZACIVSA-N 0 0 298.386 3.009 20 10 CGCDRN Cc1cc(O)c(CNc2cccc(N3CCC3=O)c2)cc1C ZINC000280223767 525325971 /nfs/dbraw/zinc/32/59/71/525325971.db2.gz XFFXVSNGCHIJFS-UHFFFAOYSA-N 0 0 296.370 3.358 20 10 CGCDRN C[C@H]([NH2+]CCCc1nccs1)c1ccc(F)c(F)c1[O-] ZINC000276879079 525346911 /nfs/dbraw/zinc/34/69/11/525346911.db2.gz 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/nfs/dbraw/zinc/01/72/94/527017294.db2.gz XMZJEGGZDKZEMV-UHFFFAOYSA-N 0 0 272.373 3.158 20 10 CGCDRN Nc1ccc(CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000037032697 527478683 /nfs/dbraw/zinc/47/86/83/527478683.db2.gz ZVTAZTTTZAPXFR-GOSISDBHSA-N 0 0 280.371 3.079 20 10 CGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000749364615 571700635 /nfs/dbraw/zinc/70/06/35/571700635.db2.gz RAUVPPFKEACDRO-LBPRGKRZSA-N 0 0 292.398 3.334 20 10 CGCDRN CCN(Cc1cc(C)on1)Cc1ccc(N(C)C)cc1 ZINC000726984094 571697721 /nfs/dbraw/zinc/69/77/21/571697721.db2.gz HBUAUUDNKROPRZ-UHFFFAOYSA-N 0 0 273.380 3.071 20 10 CGCDRN CCCN(C(=O)/C=C\c1cncc(F)c1)c1cccnc1 ZINC000750120433 571740790 /nfs/dbraw/zinc/74/07/90/571740790.db2.gz HTRCLCUGMAGBCH-WAYWQWQTSA-N 0 0 285.322 3.072 20 10 CGCDRN CC[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000729078825 571868267 /nfs/dbraw/zinc/86/82/67/571868267.db2.gz RUDCSSQONWBRBX-LBPRGKRZSA-N 0 0 272.348 3.444 20 10 CGCDRN CCC/C=C/C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000729344765 571900094 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/nfs/dbraw/zinc/46/86/53/572468653.db2.gz DCQNPGZOBBJPKE-UHFFFAOYSA-N 0 0 298.386 3.051 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000726242046 572568132 /nfs/dbraw/zinc/56/81/32/572568132.db2.gz IYWPJUHZEKVYHW-OLZOCXBDSA-N 0 0 276.380 3.018 20 10 CGCDRN Cc1ccc([C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000742487890 572587883 /nfs/dbraw/zinc/58/78/83/572587883.db2.gz LECPBOOZCRMXSF-CYBMUJFWSA-N 0 0 286.375 3.074 20 10 CGCDRN CC/C=C(\C)C(=O)NCCCSc1nccs1 ZINC000733883976 572609464 /nfs/dbraw/zinc/60/94/64/572609464.db2.gz IQIYXFULONUHHA-BJMVGYQFSA-N 0 0 270.423 3.098 20 10 CGCDRN C[C@H](CC(=O)NCCCSc1nccs1)C1CC1 ZINC000733974909 572620074 /nfs/dbraw/zinc/62/00/74/572620074.db2.gz PLQCOBDDELTABQ-SNVBAGLBSA-N 0 0 284.450 3.178 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCc2ccccc2C1 ZINC000734016098 572624411 /nfs/dbraw/zinc/62/44/11/572624411.db2.gz JYNATTIXAPAMGB-CYBMUJFWSA-N 0 0 287.384 3.083 20 10 CGCDRN Fc1ccc(NC(=S)NNc2cccc(F)c2F)cc1 ZINC000743005200 572630609 /nfs/dbraw/zinc/63/06/09/572630609.db2.gz PCDGHCQWXCKHFV-UHFFFAOYSA-N 0 0 297.305 3.417 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCC(C)C ZINC000734519827 572660858 /nfs/dbraw/zinc/66/08/58/572660858.db2.gz AAOSMKACFCRPBW-UHFFFAOYSA-N 0 0 291.439 3.296 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000743674140 572676968 /nfs/dbraw/zinc/67/69/68/572676968.db2.gz SWWSODNDCYAFGQ-ZIAGYGMSSA-N 0 0 291.439 3.377 20 10 CGCDRN COc1cccc(F)c1[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000743711912 572680494 /nfs/dbraw/zinc/68/04/94/572680494.db2.gz FRONPCSUGSKXCY-QMMMGPOBSA-N 0 0 295.335 3.092 20 10 CGCDRN CCN(C[C@@H](O)Cc1ccccc1)c1ccc(OC)cc1 ZINC000746109705 572853386 /nfs/dbraw/zinc/85/33/86/572853386.db2.gz UINTUKQCJPVZBX-KRWDZBQOSA-N 0 0 285.387 3.125 20 10 CGCDRN COc1ccc(N(Cc2noc(C)n2)CC(C)C)cc1 ZINC000746169890 572858741 /nfs/dbraw/zinc/85/87/41/572858741.db2.gz DNDJUKLKMHFLTL-UHFFFAOYSA-N 0 0 275.352 3.049 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C=C2CCCC2)cc1F ZINC000746805354 572897108 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ZINC000899384821 620684084 /nfs/dbraw/zinc/68/40/84/620684084.db2.gz OVQRXEGFIUYLGV-YBEGLDIGSA-N 0 0 293.370 3.045 20 10 CGCDRN Cc1cc(C)cc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000255119190 617945194 /nfs/dbraw/zinc/94/51/94/617945194.db2.gz QAGRICJHLYQNJP-YRNVUSSQSA-N 0 0 263.387 3.134 20 10 CGCDRN Cc1cc(C(=O)N(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000175898466 618030932 /nfs/dbraw/zinc/03/09/32/618030932.db2.gz ZTLMTJULWCVLIJ-UHFFFAOYSA-N 0 0 270.376 3.413 20 10 CGCDRN CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000307821027 618085086 /nfs/dbraw/zinc/08/50/86/618085086.db2.gz XXEDKVXGKZEFTL-LBPRGKRZSA-N 0 0 261.369 3.169 20 10 CGCDRN C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000184992740 625289273 /nfs/dbraw/zinc/28/92/73/625289273.db2.gz MAHCPNBYSTUZFQ-VIFPVBQESA-N 0 0 295.276 3.151 20 10 CGCDRN C[C@@H](NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000309820173 618770226 /nfs/dbraw/zinc/77/02/26/618770226.db2.gz WCNYLWWFQLNZOY-ZCFIWIBFSA-N 0 0 253.651 3.086 20 10 CGCDRN Cc1cccc(CN(C)Cc2nc3ccccc3n2C)c1O ZINC000180228562 619013695 /nfs/dbraw/zinc/01/36/95/619013695.db2.gz DFEURZYABSXLFG-UHFFFAOYSA-N 0 0 295.386 3.219 20 10 CGCDRN COc1ccc(N(C[C@@H](C)OC)C(C)C)cc1F ZINC000182327597 619035517 /nfs/dbraw/zinc/03/55/17/619035517.db2.gz QUNVLBMRFKHNHX-LLVKDONJSA-N 0 0 255.333 3.084 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccccc1[N+](=O)[O-] ZINC000183598184 619045215 /nfs/dbraw/zinc/04/52/15/619045215.db2.gz JLHBYUZFOTYMNB-JTQLQIEISA-N 0 0 288.303 3.049 20 10 CGCDRN C[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000072622129 625317462 /nfs/dbraw/zinc/31/74/62/625317462.db2.gz QCAINIKSLYQKGT-IUODEOHRSA-N 0 0 285.343 3.170 20 10 CGCDRN CC1(C)C(CNC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000092820230 619131628 /nfs/dbraw/zinc/13/16/28/619131628.db2.gz RVFSTVXUBVUGDF-UHFFFAOYSA-N 0 0 261.369 3.073 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000015134347 619143902 /nfs/dbraw/zinc/14/39/02/619143902.db2.gz GIMCQVUALYDEEP-UHFFFAOYSA-N 0 0 288.778 3.336 20 10 CGCDRN COc1ccc(Sc2ncc([N+](=O)[O-])s2)cc1 ZINC000195506210 619149945 /nfs/dbraw/zinc/14/99/45/619149945.db2.gz JKRSHJWLCFAVNV-UHFFFAOYSA-N 0 0 268.319 3.211 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1ccc(C)nn1 ZINC000840947549 619248905 /nfs/dbraw/zinc/24/89/05/619248905.db2.gz WSWKOMIITMYMDA-UHFFFAOYSA-N 0 0 283.375 3.137 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(F)c(C)c2)c1 ZINC000061117736 619280412 /nfs/dbraw/zinc/28/04/12/619280412.db2.gz WVLPLGWWRGZZCY-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CC(C)[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000894045464 619358045 /nfs/dbraw/zinc/35/80/45/619358045.db2.gz PFVLKSQAYWTRGZ-UHFFFAOYSA-N 0 0 255.308 3.433 20 10 CGCDRN Cc1cccc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])n1 ZINC000894049349 619358628 /nfs/dbraw/zinc/35/86/28/619358628.db2.gz HOPKCDOJQYZQLR-UHFFFAOYSA-N 0 0 278.302 3.006 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(C1CC1)C1CC1 ZINC000178746986 619382552 /nfs/dbraw/zinc/38/25/52/619382552.db2.gz HPLYFXMITGAMTH-UHFFFAOYSA-N 0 0 298.430 3.339 20 10 CGCDRN COc1ccc(N(C)Cc2[nH]nc(C)c2C)cc1Cl ZINC000894429569 619532068 /nfs/dbraw/zinc/53/20/68/619532068.db2.gz KJUHCWJCGIZTIJ-UHFFFAOYSA-N 0 0 279.771 3.325 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000018215075 619576204 /nfs/dbraw/zinc/57/62/04/619576204.db2.gz YVINZNJZBZBZFL-UHFFFAOYSA-N 0 0 288.778 3.336 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/c2ccccc2)cc1 ZINC000006980123 619727945 /nfs/dbraw/zinc/72/79/45/619727945.db2.gz DPTXQCYVITZHNZ-SDNWHVSQSA-N 0 0 294.398 3.424 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CC(c2ccccc2)C1 ZINC000895418302 619823955 /nfs/dbraw/zinc/82/39/55/619823955.db2.gz LLHWFAMOXYVSIO-UHFFFAOYSA-N 0 0 275.298 3.270 20 10 CGCDRN CC1(C2CC2)CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841298810 619837245 /nfs/dbraw/zinc/83/72/45/619837245.db2.gz HLTYHXUDFRKHNZ-UHFFFAOYSA-N 0 0 273.380 3.313 20 10 CGCDRN Nc1ccc(NC(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 ZINC000841300574 619842047 /nfs/dbraw/zinc/84/20/47/619842047.db2.gz WNDBWGQLZGEKLG-SNVBAGLBSA-N 0 0 283.322 3.216 20 10 CGCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000841299956 619843340 /nfs/dbraw/zinc/84/33/40/619843340.db2.gz MHZKCAKTJOZVPL-ZIAGYGMSSA-N 0 0 293.436 3.407 20 10 CGCDRN CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883087877 619872375 /nfs/dbraw/zinc/87/23/75/619872375.db2.gz LITYPIODMVYZAJ-VIFPVBQESA-N 0 0 283.240 3.491 20 10 CGCDRN CCC(C)(C)c1nnc(NCc2c(O)cccc2F)o1 ZINC000895832122 619894239 /nfs/dbraw/zinc/89/42/39/619894239.db2.gz BDJTYUGQDJWFEY-UHFFFAOYSA-N 0 0 279.315 3.214 20 10 CGCDRN Cc1cccc(O)c1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000896422095 620007246 /nfs/dbraw/zinc/00/72/46/620007246.db2.gz HOBMKUCEEQWIQA-YOEHRIQHSA-N 0 0 287.334 3.262 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1C ZINC000896639271 620041693 /nfs/dbraw/zinc/04/16/93/620041693.db2.gz CCXKGNSEMWNNCS-UHFFFAOYSA-N 0 0 259.324 3.438 20 10 CGCDRN C[C@@H]([NH2+]Cc1c([O-])cccc1F)C1CCSCC1 ZINC000896638920 620041775 /nfs/dbraw/zinc/04/17/75/620041775.db2.gz RWDYFPIQGDEXLC-SNVBAGLBSA-N 0 0 269.385 3.153 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C1CCC2(CC2)CC1 ZINC000928710114 620208290 /nfs/dbraw/zinc/20/82/90/620208290.db2.gz GWNGZQMGXQGKHI-UHFFFAOYSA-N 0 0 277.339 3.118 20 10 CGCDRN CCc1onc(C)c1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000897337150 620211281 /nfs/dbraw/zinc/21/12/81/620211281.db2.gz JNZFYZXGGZMOEZ-UHFFFAOYSA-N 0 0 298.745 3.333 20 10 CGCDRN CCc1onc(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000897337246 620211573 /nfs/dbraw/zinc/21/15/73/620211573.db2.gz XTWBUNILPHSACI-UHFFFAOYSA-N 0 0 298.745 3.333 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000840724155 620218539 /nfs/dbraw/zinc/21/85/39/620218539.db2.gz UJTTXIUGKJJDNW-CQSZACIVSA-N 0 0 298.434 3.055 20 10 CGCDRN Oc1c(Cl)cccc1CNc1nc(C2CC2)ns1 ZINC000897391917 620282916 /nfs/dbraw/zinc/28/29/16/620282916.db2.gz FIXHZBOMHLFYFU-UHFFFAOYSA-N 0 0 281.768 3.387 20 10 CGCDRN CCO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000898215573 620489018 /nfs/dbraw/zinc/48/90/18/620489018.db2.gz NYXBTGYXXZUKFJ-QWHCGFSZSA-N 0 0 283.799 3.483 20 10 CGCDRN CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3[O-])C[C@H]2C1 ZINC000898218408 620489034 /nfs/dbraw/zinc/48/90/34/620489034.db2.gz GNWBREOADQTKFW-COVPZLACSA-N 0 0 295.810 3.339 20 10 CGCDRN CCOc1ccc(CNc2cc(CC)nc(C)n2)c(O)c1 ZINC000902227063 621200733 /nfs/dbraw/zinc/20/07/33/621200733.db2.gz TUDSOHJUJYWZAM-UHFFFAOYSA-N 0 0 287.363 3.064 20 10 CGCDRN c1cc(N2CCCC2)ccc1OC[C@H]1C[C@@]12CCOC2 ZINC000902283554 621225893 /nfs/dbraw/zinc/22/58/93/621225893.db2.gz MYCAKCWRTKTHOB-RHSMWYFYSA-N 0 0 273.376 3.092 20 10 CGCDRN CC(C)c1nnc(NCc2cc(F)cc(F)c2O)s1 ZINC000905404815 622067081 /nfs/dbraw/zinc/06/70/81/622067081.db2.gz DLOQZFZYFACAGC-UHFFFAOYSA-N 0 0 285.319 3.257 20 10 CGCDRN CCCN(C(=O)/C=C\c1cn(C)cn1)c1ccccc1F ZINC000906075586 622148149 /nfs/dbraw/zinc/14/81/49/622148149.db2.gz NDAYECXRNZOLTQ-HJWRWDBZSA-N 0 0 287.338 3.016 20 10 CGCDRN CCOC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000044689254 622817884 /nfs/dbraw/zinc/81/78/84/622817884.db2.gz JHPFGNXIWNUTFN-QMMMGPOBSA-N 0 0 278.179 3.214 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC2CCCCC2)cc1 ZINC000045580078 622863194 /nfs/dbraw/zinc/86/31/94/622863194.db2.gz KMIRREXGAWWKTR-UHFFFAOYSA-N 0 0 274.408 3.339 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccsc1 ZINC000157337208 622897596 /nfs/dbraw/zinc/89/75/96/622897596.db2.gz GUODKXWRUIGEET-UHFFFAOYSA-N 0 0 289.404 3.444 20 10 CGCDRN Cc1cccc(CNc2cccc(C(=O)N(C)C)c2)c1O ZINC000158056608 622994090 /nfs/dbraw/zinc/99/40/90/622994090.db2.gz QPCLROQPHHCGFQ-UHFFFAOYSA-N 0 0 284.359 3.015 20 10 CGCDRN COC(=O)c1cccc(NCc2cc(F)ccc2O)c1C ZINC000226664511 622994156 /nfs/dbraw/zinc/99/41/56/622994156.db2.gz LVUMOGKFCDBMOE-UHFFFAOYSA-N 0 0 289.306 3.238 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C(C)C)c1 ZINC000172505637 623252698 /nfs/dbraw/zinc/25/26/98/623252698.db2.gz OAICAIANUNRLDM-NWDGAFQWSA-N 0 0 294.395 3.053 20 10 CGCDRN CC[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000172688147 623269907 /nfs/dbraw/zinc/26/99/07/623269907.db2.gz GIHZWIBOWNOWDA-BOLDSZDNSA-N 0 0 294.354 3.299 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccsc1)c1ccc(F)cc1[O-] ZINC000063152546 623303193 /nfs/dbraw/zinc/30/31/93/623303193.db2.gz KFPIXBZUFQBQOJ-SECBINFHSA-N 0 0 251.326 3.444 20 10 CGCDRN CSCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174516863 623402332 /nfs/dbraw/zinc/40/23/32/623402332.db2.gz WIMQKMHUYNNITC-UHFFFAOYSA-N 0 0 293.432 3.030 20 10 CGCDRN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2O)c(C)n1 ZINC000913763683 623576319 /nfs/dbraw/zinc/57/63/19/623576319.db2.gz OCBKKVUXLLCAQV-LBPRGKRZSA-N 0 0 284.359 3.203 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1 ZINC000914506771 623817141 /nfs/dbraw/zinc/81/71/41/623817141.db2.gz SDNSRKNPOQGOHZ-UHFFFAOYSA-N 0 0 297.402 3.198 20 10 CGCDRN Cc1nnc(Sc2nccs2)n1-c1ccccc1 ZINC000914862609 623870528 /nfs/dbraw/zinc/87/05/28/623870528.db2.gz KDOYSEXNUVCPIM-UHFFFAOYSA-N 0 0 274.374 3.183 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)[nH]1 ZINC000915081063 623893019 /nfs/dbraw/zinc/89/30/19/623893019.db2.gz GZCGWRCLGUXBRC-UHFFFAOYSA-N 0 0 297.402 3.162 20 10 CGCDRN FC(F)(F)[C@@H]1CC[C@@H](CSc2nccs2)O1 ZINC000916758896 624211960 /nfs/dbraw/zinc/21/19/60/624211960.db2.gz BAEPUYDFVWDSHY-BQBZGAKWSA-N 0 0 269.313 3.345 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC1CC=CC1 ZINC000154961676 624403236 /nfs/dbraw/zinc/40/32/36/624403236.db2.gz HVTQXSWCGFKLKD-UHFFFAOYSA-N 0 0 274.364 3.032 20 10 CGCDRN CCC(CC)(CNC(=O)Nc1ccc(N)cc1)SC ZINC000232920991 624425437 /nfs/dbraw/zinc/42/54/37/624425437.db2.gz RYFIPNUZTQBILC-UHFFFAOYSA-N 0 0 281.425 3.312 20 10 CGCDRN CCC/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000920438235 624504185 /nfs/dbraw/zinc/50/41/85/624504185.db2.gz QRBNDJDRQNXNJL-FPLPWBNLSA-N 0 0 260.381 3.067 20 10 CGCDRN c1csc(Sc2ccc3c(c2)OCCCO3)n1 ZINC000920959201 624557238 /nfs/dbraw/zinc/55/72/38/624557238.db2.gz DTOLXPKTBWXNGE-UHFFFAOYSA-N 0 0 265.359 3.456 20 10 CGCDRN Cc1ccc(-c2cc(C(=O)Nc3ccc(N)cc3)on2)cc1 ZINC000237709820 624676525 /nfs/dbraw/zinc/67/65/25/624676525.db2.gz PHPAKCPRHYKXKC-UHFFFAOYSA-N 0 0 293.326 3.485 20 10 CGCDRN Cc1nc2cc(NCc3cc4c(cc3O)OCO4)ccc2o1 ZINC000237715578 624677846 /nfs/dbraw/zinc/67/78/46/624677846.db2.gz YAEJXEQLTNCNNI-UHFFFAOYSA-N 0 0 298.298 3.183 20 10 CGCDRN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000179855266 624688853 /nfs/dbraw/zinc/68/88/53/624688853.db2.gz FKOPCTOYMILHOC-CMPLNLGQSA-N 0 0 269.772 3.045 20 10 CGCDRN CCC[C@H](CC)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000170880063 624728405 /nfs/dbraw/zinc/72/84/05/624728405.db2.gz RNMIJQFXELDINC-RYUDHWBXSA-N 0 0 294.395 3.340 20 10 CGCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1 ZINC000180887270 624780951 /nfs/dbraw/zinc/78/09/51/624780951.db2.gz MRVUSXSKSFXZGR-BREXMAIKSA-N 0 0 289.356 3.050 20 10 CGCDRN CCc1ccc(O)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181267022 624839420 /nfs/dbraw/zinc/83/94/20/624839420.db2.gz MCQLNZHIGCCHRI-VMPITWQZSA-N 0 0 299.326 3.018 20 10 CGCDRN CCCc1nnc(NCc2ccc(N(CC)CC)cc2)o1 ZINC000181685614 624888987 /nfs/dbraw/zinc/88/89/87/624888987.db2.gz YMDSPHGEGMEFJD-UHFFFAOYSA-N 0 0 288.395 3.480 20 10 CGCDRN Cc1ccc(C(=O)N(CCC(C)C)C2CC2)c(O)c1O ZINC000181855573 624902631 /nfs/dbraw/zinc/90/26/31/624902631.db2.gz ZROQRAURMQIURB-UHFFFAOYSA-N 0 0 277.364 3.057 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)c(O)c1 ZINC000227458852 625028901 /nfs/dbraw/zinc/02/89/01/625028901.db2.gz MAJWADMOMLFDAS-CYBMUJFWSA-N 0 0 271.360 3.044 20 10 CGCDRN C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000070829249 625037739 /nfs/dbraw/zinc/03/77/39/625037739.db2.gz ABPBLNJRRGKBQG-BXKDBHETSA-N 0 0 284.197 3.433 20 10 CGCDRN CC(C)c1nsc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000184147079 625205779 /nfs/dbraw/zinc/20/57/79/625205779.db2.gz OXLOYMBWUNSDMR-SECBINFHSA-N 0 0 293.392 3.116 20 10 CGCDRN C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1[O-])[NH+]1CCCCC1 ZINC000186545684 626016672 /nfs/dbraw/zinc/01/66/72/626016672.db2.gz OPWTWRZCLPYGJE-ZIAGYGMSSA-N 0 0 294.414 3.446 20 10 CGCDRN CC(C)C[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000163164546 626081673 /nfs/dbraw/zinc/08/16/73/626081673.db2.gz KBDNUDIYNKNSJR-CQSZACIVSA-N 0 0 291.439 3.329 20 10 CGCDRN Cc1cccc2nc(CN(C)c3ccc4c(c3)OCO4)cn21 ZINC000121329562 626201733 /nfs/dbraw/zinc/20/17/33/626201733.db2.gz YCPPNAHCSSYZSM-UHFFFAOYSA-N 0 0 295.342 3.008 20 10 CGCDRN CCN(Cc1ccncc1F)c1ccc(OC)cc1 ZINC000838882174 626267623 /nfs/dbraw/zinc/26/76/23/626267623.db2.gz BIGSNLXTUWKGHL-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C12CCC2 ZINC000839180763 626326672 /nfs/dbraw/zinc/32/66/72/626326672.db2.gz WIGRSAWDPJOVIG-KBPBESRZSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC000751426351 626389821 /nfs/dbraw/zinc/38/98/21/626389821.db2.gz REANWTDYXXYILS-BXUZGUMPSA-N 0 0 287.384 3.472 20 10 CGCDRN C[C@@H]1CC/C(=C/C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000753601945 626458069 /nfs/dbraw/zinc/45/80/69/626458069.db2.gz YLXOMGYHNRULLK-YGYTWAPGSA-N 0 0 290.382 3.254 20 10 CGCDRN C[C@H]1CC/C(=C/C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000753601943 626458171 /nfs/dbraw/zinc/45/81/71/626458171.db2.gz YLXOMGYHNRULLK-IXJPEXDMSA-N 0 0 290.382 3.254 20 10 CGCDRN CCOc1ccc(N(C)CCO[C@@H]2CCCCO2)cc1 ZINC000753917407 626468821 /nfs/dbraw/zinc/46/88/21/626468821.db2.gz OUCGEWNWNNLQLD-MRXNPFEDSA-N 0 0 279.380 3.065 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccnc(N(C)C)c1 ZINC000754011193 626472086 /nfs/dbraw/zinc/47/20/86/626472086.db2.gz WGNVMLOZXOCWOV-UHFFFAOYSA-N 0 0 297.402 3.109 20 10 CGCDRN COc1ccc(N(C)CC[C@H]2CCCCO2)cc1OC ZINC000754018294 626472389 /nfs/dbraw/zinc/47/23/89/626472389.db2.gz KPRKKYSQLRDRIP-CQSZACIVSA-N 0 0 279.380 3.099 20 10 CGCDRN COc1cc(Cl)cc(CN2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155153 626561248 /nfs/dbraw/zinc/56/12/48/626561248.db2.gz CRFAEQLJLIQJSB-JTQLQIEISA-N 0 0 299.798 3.054 20 10 CGCDRN CCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756338975 626693392 /nfs/dbraw/zinc/69/33/92/626693392.db2.gz AUGGRYVELNIROP-SNVBAGLBSA-N 0 0 252.314 3.141 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000756342183 626694135 /nfs/dbraw/zinc/69/41/35/626694135.db2.gz OUFNZBRTVOGPHX-XUJVJEKNSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756342649 626694190 /nfs/dbraw/zinc/69/41/90/626694190.db2.gz SUFIKGIYBFGXPW-SNVBAGLBSA-N 0 0 290.294 3.290 20 10 CGCDRN C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000756361100 626696362 /nfs/dbraw/zinc/69/63/62/626696362.db2.gz FSIWMMRKRATSLX-LLVKDONJSA-N 0 0 285.322 3.030 20 10 CGCDRN CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])on1 ZINC000756571673 626716130 /nfs/dbraw/zinc/71/61/30/626716130.db2.gz IQUOYBISZISXSI-JTQLQIEISA-N 0 0 278.327 3.494 20 10 CGCDRN Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756635866 626722840 /nfs/dbraw/zinc/72/28/40/626722840.db2.gz HUQOXVXPHVRKMV-LRDDRELGSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756636240 626722875 /nfs/dbraw/zinc/72/28/75/626722875.db2.gz WHRBDJBGCBBDCI-MNOVXSKESA-N 0 0 292.329 3.347 20 10 CGCDRN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756635617 626722897 /nfs/dbraw/zinc/72/28/97/626722897.db2.gz RXCYTAFSHBIDJU-IEBVAXJPSA-N 0 0 285.334 3.015 20 10 CGCDRN C[C@H]([NH2+]CCNc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756641941 626723250 /nfs/dbraw/zinc/72/32/50/626723250.db2.gz JNLNWBYGGBQNKH-NSHDSACASA-N 0 0 292.329 3.433 20 10 CGCDRN C[C@@H]([NH2+]CCNc1ccccc1)c1ccc(F)cc1[O-] ZINC000756643321 626724015 /nfs/dbraw/zinc/72/40/15/626724015.db2.gz UDDQRSVEIHOSTC-GFCCVEGCSA-N 0 0 274.339 3.294 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756678745 626726734 /nfs/dbraw/zinc/72/67/34/626726734.db2.gz YFYKOLBZGCRCEX-GMTAPVOTSA-N 0 0 285.334 3.136 20 10 CGCDRN CCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756738973 626728619 /nfs/dbraw/zinc/72/86/19/626728619.db2.gz JEXQLHOGAWCMHH-NSHDSACASA-N 0 0 277.364 3.020 20 10 CGCDRN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O ZINC000756782568 626732137 /nfs/dbraw/zinc/73/21/37/626732137.db2.gz CIOCBCBXXGACBB-CPCISQLKSA-N 0 0 297.704 3.010 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C)cn2)cc1Cl ZINC000757856718 626810701 /nfs/dbraw/zinc/81/07/01/626810701.db2.gz GATFCNJMABKQDP-UHFFFAOYSA-N 0 0 277.755 3.083 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2O)C[C@H]1C ZINC000758431841 626843099 /nfs/dbraw/zinc/84/30/99/626843099.db2.gz LFPJCYKUPIQEPS-BZPMIXESSA-N 0 0 276.380 3.016 20 10 CGCDRN CCOc1ccc(CNc2ncc(C)s2)c(O)c1 ZINC000758434619 626843542 /nfs/dbraw/zinc/84/35/42/626843542.db2.gz FXWDZZSKHHYIKZ-UHFFFAOYSA-N 0 0 264.350 3.168 20 10 CGCDRN C[C@H]1C[C@H](C)N(C(=O)NCCCSc2nccs2)C1 ZINC000759602452 626908619 /nfs/dbraw/zinc/90/86/19/626908619.db2.gz VHPQAWOBHUXNCF-QWRGUYRKSA-N 0 0 299.465 3.065 20 10 CGCDRN C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(F)cc1[O-] ZINC000760897416 627000712 /nfs/dbraw/zinc/00/07/12/627000712.db2.gz LDCKKWYBLXPLPO-LLVKDONJSA-N 0 0 299.349 3.269 20 10 CGCDRN C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccc(F)cc1[O-] ZINC000760897418 627000797 /nfs/dbraw/zinc/00/07/97/627000797.db2.gz LDCKKWYBLXPLPO-NSHDSACASA-N 0 0 299.349 3.269 20 10 CGCDRN CCc1ccc(CN(C)c2ccc(OC)c(OC)c2)o1 ZINC000761222263 627025900 /nfs/dbraw/zinc/02/59/00/627025900.db2.gz RZQIACLHBWVMJF-UHFFFAOYSA-N 0 0 275.348 3.496 20 10 CGCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cn[nH]c1 ZINC000761215887 627026282 /nfs/dbraw/zinc/02/62/82/627026282.db2.gz NCCHWLDRKJPYNP-UHFFFAOYSA-N 0 0 297.280 3.261 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N1CCc2c1cccc2F ZINC000763752911 627176643 /nfs/dbraw/zinc/17/66/43/627176643.db2.gz ARXDVNIMEXCJBD-WAYWQWQTSA-N 0 0 282.318 3.132 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCOC2(C1)CCCCCC2 ZINC000764343596 627203793 /nfs/dbraw/zinc/20/37/93/627203793.db2.gz WXZHYJVJTSOIRE-UHFFFAOYSA-N 0 0 295.404 3.019 20 10 CGCDRN C/C=C\COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000765508640 627255054 /nfs/dbraw/zinc/25/50/54/627255054.db2.gz QJEVKKDIEWZWSV-IHWYPQMZSA-N 0 0 288.372 3.049 20 10 CGCDRN C[C@H]1CN(Cc2cc(F)ccc2O)c2ccccc2O1 ZINC000765652684 627265392 /nfs/dbraw/zinc/26/53/92/627265392.db2.gz WOKAFRSULSPRIQ-NSHDSACASA-N 0 0 273.307 3.319 20 10 CGCDRN C[C@H]1[N@H+](Cc2cc3c(cc2O)CCCC3)CCOC1(C)C ZINC000768463830 627481106 /nfs/dbraw/zinc/48/11/06/627481106.db2.gz XOCBILRZCKJAAZ-CYBMUJFWSA-N 0 0 289.419 3.270 20 10 CGCDRN CCN(CC)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000769436763 627552087 /nfs/dbraw/zinc/55/20/87/627552087.db2.gz XSPJHASEUREKTC-GASCZTMLSA-N 0 0 292.398 3.035 20 10 CGCDRN C[C@H]1CC[C@H](C)[NH+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770310681 627612507 /nfs/dbraw/zinc/61/25/07/627612507.db2.gz KMCYWEJCJKQEIM-IUCAKERBSA-N 0 0 284.743 3.327 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc(Cl)c2)c(O)c1O ZINC000770466344 627620053 /nfs/dbraw/zinc/62/00/53/627620053.db2.gz QSNVHMQZTRNJOM-UHFFFAOYSA-N 0 0 277.707 3.312 20 10 CGCDRN Oc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000770508720 627623902 /nfs/dbraw/zinc/62/39/02/627623902.db2.gz GBGKWIIJMRKVKR-MRXNPFEDSA-N 0 0 269.344 3.435 20 10 CGCDRN C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000770506224 627623967 /nfs/dbraw/zinc/62/39/67/627623967.db2.gz ZNHMRJKMHOALJP-ACJLOTCBSA-N 0 0 283.371 3.216 20 10 CGCDRN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)CC12CCC2 ZINC000771409355 627707622 /nfs/dbraw/zinc/70/76/22/627707622.db2.gz LWSACBGOPWCELD-JTQLQIEISA-N 0 0 265.378 3.106 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccc(OC)cc1 ZINC000772047785 627758486 /nfs/dbraw/zinc/75/84/86/627758486.db2.gz PLERLHMLJATZSM-BJMVGYQFSA-N 0 0 296.370 3.465 20 10 CGCDRN CCN(Cc1ncccc1C)c1ccc(OC)cc1 ZINC000772199858 627773633 /nfs/dbraw/zinc/77/36/33/627773633.db2.gz GVHUXPKFKZFYGS-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN O=C(NCC1(Cc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000772570351 627803379 /nfs/dbraw/zinc/80/33/79/627803379.db2.gz RPOSALYMKBKHFL-UHFFFAOYSA-N 0 0 287.384 3.206 20 10 CGCDRN CCc1ncc(CN2CCc3cc(OC)ccc32)s1 ZINC000772600166 627805472 /nfs/dbraw/zinc/80/54/72/627805472.db2.gz VXUYDIXVRWKEBX-UHFFFAOYSA-N 0 0 274.389 3.277 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1n[nH]c2ccccc21 ZINC000772600805 627805506 /nfs/dbraw/zinc/80/55/06/627805506.db2.gz ZIYGAMOCZOMCTI-UHFFFAOYSA-N 0 0 279.343 3.134 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000772996305 627838770 /nfs/dbraw/zinc/83/87/70/627838770.db2.gz CXBJCNFGXQRBLT-NXEZZACHSA-N 0 0 288.313 3.128 20 10 CGCDRN C[C@@H](NC(=O)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000772999077 627839453 /nfs/dbraw/zinc/83/94/53/627839453.db2.gz LDHJRLFQXRCTMJ-GFCCVEGCSA-N 0 0 260.381 3.120 20 10 CGCDRN C[C@H](NC(=O)[C@H]1CCCCS1)c1ccc(N(C)C)cc1 ZINC000772997355 627839632 /nfs/dbraw/zinc/83/96/32/627839632.db2.gz HHFZSOPFSXKBIS-SWLSCSKDSA-N 0 0 292.448 3.216 20 10 CGCDRN Cc1nccc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000773248749 627870095 /nfs/dbraw/zinc/87/00/95/627870095.db2.gz ZNTUMSASHHJHQJ-UHFFFAOYSA-N 0 0 286.766 3.127 20 10 CGCDRN CC(C)[C@H](C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773374800 627876129 /nfs/dbraw/zinc/87/61/29/627876129.db2.gz MPIJPMYVQJVCKC-ZIAGYGMSSA-N 0 0 291.439 3.405 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC[C@@H](C)SC)c1 ZINC000773477896 627888950 /nfs/dbraw/zinc/88/89/50/627888950.db2.gz WHTHOQZQEYRUIJ-GHMZBOCLSA-N 0 0 297.420 3.110 20 10 CGCDRN CCCCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773626528 627901593 /nfs/dbraw/zinc/90/15/93/627901593.db2.gz NPTNAKVGIQFETR-CYBMUJFWSA-N 0 0 277.412 3.255 20 10 CGCDRN CCC(CC)[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773763354 627912943 /nfs/dbraw/zinc/91/29/43/627912943.db2.gz UIVVTCRTPPTMAU-VXGBXAGGSA-N 0 0 293.407 3.217 20 10 CGCDRN CCC/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775408693 628091880 /nfs/dbraw/zinc/09/18/80/628091880.db2.gz BFNPRFGKXGBDKA-SBDDDAINSA-N 0 0 260.381 3.286 20 10 CGCDRN C[C@H](NC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775432755 628095098 /nfs/dbraw/zinc/09/50/98/628095098.db2.gz LNEMBZJFULUCQG-ZDUSSCGKSA-N 0 0 275.396 3.009 20 10 CGCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCCO1 ZINC000775661392 628121228 /nfs/dbraw/zinc/12/12/28/628121228.db2.gz NDTLLUNGIWGXHO-LBPRGKRZSA-N 0 0 287.762 3.186 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000775675069 628124178 /nfs/dbraw/zinc/12/41/78/628124178.db2.gz RGIKQXLSWLDALI-ZDUSSCGKSA-N 0 0 291.782 3.079 20 10 CGCDRN COC(C)(C)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775738020 628131213 /nfs/dbraw/zinc/13/12/13/628131213.db2.gz PUWAIFSABYRDIL-UHFFFAOYSA-N 0 0 275.751 3.042 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000775738552 628131257 /nfs/dbraw/zinc/13/12/57/628131257.db2.gz HFPIBPHKGSHNTI-GXTWGEPZSA-N 0 0 295.810 3.294 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000775736030 628131402 /nfs/dbraw/zinc/13/14/02/628131402.db2.gz JLWVDBCWHHHCCS-JSGCOSHPSA-N 0 0 281.783 3.047 20 10 CGCDRN CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000776252495 628184413 /nfs/dbraw/zinc/18/44/13/628184413.db2.gz BRGVSBIEGUMVFJ-RYUDHWBXSA-N 0 0 269.772 3.093 20 10 CGCDRN CCCN(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776250063 628184578 /nfs/dbraw/zinc/18/45/78/628184578.db2.gz RWKGVJYLDHOUKV-ZDUSSCGKSA-N 0 0 277.412 3.255 20 10 CGCDRN CCCCc1nnc(NCc2ccc(OCC)cc2O)o1 ZINC000777516319 628277204 /nfs/dbraw/zinc/27/72/04/628277204.db2.gz VJLAZZVHKWYOOK-UHFFFAOYSA-N 0 0 291.351 3.129 20 10 CGCDRN CCc1ccc([C@@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778919460 628378220 /nfs/dbraw/zinc/37/82/20/628378220.db2.gz DZIXWDVQDBGOBX-GFCCVEGCSA-N 0 0 299.370 3.080 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cc(F)ccc1O ZINC000778986149 628380945 /nfs/dbraw/zinc/38/09/45/628380945.db2.gz GZKATIHDEKHPHT-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN Oc1ccc(F)cc1CNCc1cc(-c2ccccc2)on1 ZINC000779067247 628386493 /nfs/dbraw/zinc/38/64/93/628386493.db2.gz YCWCLZKBAKSYMJ-UHFFFAOYSA-N 0 0 298.317 3.476 20 10 CGCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000779503707 628415981 /nfs/dbraw/zinc/41/59/81/628415981.db2.gz TXYOECRHUYXYOY-PKNBQFBNSA-N 0 0 297.354 3.163 20 10 CGCDRN CCC(CC)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000779509576 628416021 /nfs/dbraw/zinc/41/60/21/628416021.db2.gz GNOIIVUQYVUJSE-UXBLZVDNSA-N 0 0 289.375 3.291 20 10 CGCDRN COC1(C)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000779597771 628417483 /nfs/dbraw/zinc/41/74/83/628417483.db2.gz GHSANPDILWJHKI-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN CC1(C)CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC000779669014 628419895 /nfs/dbraw/zinc/41/98/95/628419895.db2.gz DHHIXQIWROKJQY-FPLPWBNLSA-N 0 0 294.354 3.125 20 10 CGCDRN COc1ccsc1CN(C)c1ccc2c(c1)OCO2 ZINC000780778682 628516248 /nfs/dbraw/zinc/51/62/48/628516248.db2.gz NVRNCAIFXUHLJL-UHFFFAOYSA-N 0 0 277.345 3.122 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000780889626 628522402 /nfs/dbraw/zinc/52/24/02/628522402.db2.gz RDLJQMRQIAIRSZ-AAEUAGOBSA-N 0 0 277.364 3.105 20 10 CGCDRN O=C(NC1CCCCCC1)N1Cc2cccc(O)c2C1 ZINC000874985637 634667914 /nfs/dbraw/zinc/66/79/14/634667914.db2.gz SFQYDGPXMHOVBD-UHFFFAOYSA-N 0 0 274.364 3.140 20 10 CGCDRN CN(CC1(c2ccccc2)CC1)C(=O)C1=CC(=O)CS1 ZINC000782016748 628610303 /nfs/dbraw/zinc/61/03/03/628610303.db2.gz UUQHFBMXVZCMGT-UHFFFAOYSA-N 0 0 287.384 3.258 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(F)cc(F)c1[O-] ZINC000783311586 628703181 /nfs/dbraw/zinc/70/31/81/628703181.db2.gz WBSYZUBDYSVSMQ-KOLCDFICSA-N 0 0 269.291 3.014 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cnccc1C)CC2 ZINC000783940914 628758493 /nfs/dbraw/zinc/75/84/93/628758493.db2.gz HMWIKAULPBRPBC-AATRIKPKSA-N 0 0 278.355 3.301 20 10 CGCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C\c1cnccc1C ZINC000784043592 628771420 /nfs/dbraw/zinc/77/14/20/628771420.db2.gz CLOPCCIETFIHQF-XQRVVYSFSA-N 0 0 294.354 3.137 20 10 CGCDRN COc1ccc(O)c(CNc2nc3c(cccc3F)o2)c1 ZINC000784200023 628793955 /nfs/dbraw/zinc/79/39/55/628793955.db2.gz FDRHUVREJUIFBB-UHFFFAOYSA-N 0 0 288.278 3.293 20 10 CGCDRN CC[C@H](NCc1cc(Cl)cc(OC)c1O)C(F)(F)F ZINC000787438601 629012102 /nfs/dbraw/zinc/01/21/02/629012102.db2.gz FMZNJTGPHDNUBC-JTQLQIEISA-N 0 0 297.704 3.485 20 10 CGCDRN Cn1ccc2cccc(NC(=O)C3=CC(=O)CS3)c21 ZINC000788591372 629066941 /nfs/dbraw/zinc/06/69/41/629066941.db2.gz IBQCVBZGHMGQQZ-UHFFFAOYSA-N 0 0 272.329 3.198 20 10 CGCDRN C[C@@H]([NH2+]CC1(C)COC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788603092 629068511 /nfs/dbraw/zinc/06/85/11/629068511.db2.gz DTCYNVZTXZUHOG-SECBINFHSA-N 0 0 289.297 3.098 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788787094 629082126 /nfs/dbraw/zinc/08/21/26/629082126.db2.gz YNEZERRXBRSTSP-UWVGGRQHSA-N 0 0 289.297 3.241 20 10 CGCDRN CCOc1cc(CN2CCc3cc(OC)ccc32)ccc1O ZINC000788844347 629086594 /nfs/dbraw/zinc/08/65/94/629086594.db2.gz WLIRNSWVYQMIAD-UHFFFAOYSA-N 0 0 299.370 3.362 20 10 CGCDRN CC[C@H](Nc1cn(C)nc1OC)c1ccc(N(C)C)cc1 ZINC000788986331 629094341 /nfs/dbraw/zinc/09/43/41/629094341.db2.gz XUPQHBJYEVFUEL-AWEZNQCLSA-N 0 0 288.395 3.058 20 10 CGCDRN CON(Cc1c(O)ccc2ccncc21)CC(C)(C)C ZINC000789514573 629141409 /nfs/dbraw/zinc/14/14/09/629141409.db2.gz FZJCDHLSYWDXOP-UHFFFAOYSA-N 0 0 274.364 3.350 20 10 CGCDRN C/C=C(/CC)C(=O)NCCCSc1nccs1 ZINC000789766656 629166604 /nfs/dbraw/zinc/16/66/04/629166604.db2.gz RIEHYVHAIJKRLL-KMKOMSMNSA-N 0 0 270.423 3.098 20 10 CGCDRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000789862664 629170631 /nfs/dbraw/zinc/17/06/31/629170631.db2.gz KXXNEFFQIOFTPC-CGRPGPNWSA-N 0 0 289.375 3.004 20 10 CGCDRN CCc1cc(NCc2c(O)ccc(Cl)c2F)no1 ZINC000790240319 629196672 /nfs/dbraw/zinc/19/66/72/629196672.db2.gz FGTGPZMLZODPTG-UHFFFAOYSA-N 0 0 270.691 3.347 20 10 CGCDRN CC(C)=CCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000790262318 629197721 /nfs/dbraw/zinc/19/77/21/629197721.db2.gz SDXPRFSLAGPLCL-UHFFFAOYSA-N 0 0 293.386 3.047 20 10 CGCDRN CN(Cc1ccccc1O)C(=S)Nc1ccsc1 ZINC000790306775 629202832 /nfs/dbraw/zinc/20/28/32/629202832.db2.gz RESRGIWFYRYKPR-UHFFFAOYSA-N 0 0 278.402 3.283 20 10 CGCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(C)cc1 ZINC000790465574 629212360 /nfs/dbraw/zinc/21/23/60/629212360.db2.gz YJZVRXOXHDSQBW-CQSZACIVSA-N 0 0 285.343 3.287 20 10 CGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000790988778 629247079 /nfs/dbraw/zinc/24/70/79/629247079.db2.gz AQPNSQCJKMTZCI-NXEZZACHSA-N 0 0 287.762 3.089 20 10 CGCDRN Cc1cc(C)cc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875735322 634726423 /nfs/dbraw/zinc/72/64/23/634726423.db2.gz DQTQHKSLUHNDCI-UHFFFAOYSA-N 0 0 296.370 3.234 20 10 CGCDRN CCOC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862222661 629325216 /nfs/dbraw/zinc/32/52/16/629325216.db2.gz ICSQDGJRXQODMF-UHFFFAOYSA-N 0 0 298.377 3.032 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCCC2(F)F)c1 ZINC000862754962 629429027 /nfs/dbraw/zinc/42/90/27/629429027.db2.gz MHKPYSPOCXUQJB-GFCCVEGCSA-N 0 0 283.318 3.142 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCC[Si](C)(C)C)c1 ZINC000862754534 629429268 /nfs/dbraw/zinc/42/92/68/629429268.db2.gz FNGHATUTCVIAFD-UHFFFAOYSA-N 0 0 279.456 3.435 20 10 CGCDRN CO[C@]1(C)CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000793216861 629429408 /nfs/dbraw/zinc/42/94/08/629429408.db2.gz JSNZXVGSOWMTTI-CQSZACIVSA-N 0 0 287.762 3.186 20 10 CGCDRN CCc1ccccc1CC(=O)NCc1cc(C)ccc1O ZINC000862757452 629429748 /nfs/dbraw/zinc/42/97/48/629429748.db2.gz UXKOVYQCICQJTL-UHFFFAOYSA-N 0 0 283.371 3.122 20 10 CGCDRN Cc1cccc(O[C@@H](C)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862761209 629431671 /nfs/dbraw/zinc/43/16/71/629431671.db2.gz JMNNQOKIDOCXPG-AWEZNQCLSA-N 0 0 299.370 3.093 20 10 CGCDRN Cc1cccc(OCCC(=O)NCc2cc(C)ccc2O)c1 ZINC000862761092 629431869 /nfs/dbraw/zinc/43/18/69/629431869.db2.gz DBAULMKTZAJSQZ-UHFFFAOYSA-N 0 0 299.370 3.094 20 10 CGCDRN CCC(C)(C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000119303824 629483025 /nfs/dbraw/zinc/48/30/25/629483025.db2.gz MOBNWWGSZVILLG-UHFFFAOYSA-N 0 0 289.423 3.057 20 10 CGCDRN CCOc1cccc(CNc2ccc(NC)cc2)c1O ZINC000863481823 629588423 /nfs/dbraw/zinc/58/84/23/629588423.db2.gz LRAMCMVMLOWGFF-UHFFFAOYSA-N 0 0 272.348 3.445 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)F ZINC000875943800 634757488 /nfs/dbraw/zinc/75/74/88/634757488.db2.gz PEQBIWLOSIEGPR-UHFFFAOYSA-N 0 0 296.386 3.452 20 10 CGCDRN CN(C)c1cc(F)cc(NCc2cc(F)ccc2O)c1 ZINC000864016598 629726988 /nfs/dbraw/zinc/72/69/88/629726988.db2.gz DKZTVKVZPOUKFB-UHFFFAOYSA-N 0 0 278.302 3.349 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CSC[C@@H]2C)c1[O-] ZINC000796403456 629776958 /nfs/dbraw/zinc/77/69/58/629776958.db2.gz RAHHJPMDTQWCNI-ISVAXAHUSA-N 0 0 299.823 3.089 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc[nH]c1C(C)C ZINC000796501065 629791000 /nfs/dbraw/zinc/79/10/00/629791000.db2.gz MMSILEXIFWFDMH-UHFFFAOYSA-N 0 0 299.418 3.443 20 10 CGCDRN C[C@H](NC(=O)NC1CCCCC1)c1ccccc1O ZINC000864424963 629828029 /nfs/dbraw/zinc/82/80/29/629828029.db2.gz RIIDUJNMRXKYOW-NSHDSACASA-N 0 0 262.353 3.085 20 10 CGCDRN CCCCN(C)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796761205 629828741 /nfs/dbraw/zinc/82/87/41/629828741.db2.gz ORBPUHDGLXHZME-HNNXBMFYSA-N 0 0 282.403 3.304 20 10 CGCDRN CC[C@@H]([NH2+]CCc1cscn1)c1ccc(F)cc1[O-] ZINC000796797704 629835933 /nfs/dbraw/zinc/83/59/33/629835933.db2.gz MYDPNHUBNCIZAK-CYBMUJFWSA-N 0 0 280.368 3.271 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000796931210 629860553 /nfs/dbraw/zinc/86/05/53/629860553.db2.gz ODDZVTGJFIAXLO-ZOWXZIJZSA-N 0 0 281.371 3.387 20 10 CGCDRN COc1cc([N+](=O)[O-])ccc1CSc1nccs1 ZINC000797407337 629942760 /nfs/dbraw/zinc/94/27/60/629942760.db2.gz NUWCAPDAVCABPB-UHFFFAOYSA-N 0 0 282.346 3.352 20 10 CGCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000120387450 630006418 /nfs/dbraw/zinc/00/64/18/630006418.db2.gz AMTXIWDBXHCTSU-RYUDHWBXSA-N 0 0 295.402 3.126 20 10 CGCDRN O=C1/C(=C/c2cn(C3CC3)cn2)c2cccc3c2N1CCC3 ZINC000865225336 630029139 /nfs/dbraw/zinc/02/91/39/630029139.db2.gz AWSGRWSPWNIHRF-CXUHLZMHSA-N 0 0 291.354 3.051 20 10 CGCDRN C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798181470 630030892 /nfs/dbraw/zinc/03/08/92/630030892.db2.gz KLXRXLIBVLVXOX-UWVGGRQHSA-N 0 0 291.313 3.223 20 10 CGCDRN Cc1cc(O)c(CNc2nnc([C@@H]3C[C@H]3C)o2)cc1C ZINC000865295129 630057681 /nfs/dbraw/zinc/05/76/81/630057681.db2.gz ZEMXXNYVZTXCTI-ZYHUDNBSSA-N 0 0 273.336 3.128 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CCC[C@@H](C)C1 ZINC000836665243 634789130 /nfs/dbraw/zinc/78/91/30/634789130.db2.gz CCXFQTFEOJHSKO-RDBSUJKOSA-N 0 0 290.407 3.406 20 10 CGCDRN C[C@@H](NC(=O)c1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000799370302 630175549 /nfs/dbraw/zinc/17/55/49/630175549.db2.gz HCONLWSTBSOSRL-LLVKDONJSA-N 0 0 299.374 3.109 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000799728568 630226357 /nfs/dbraw/zinc/22/63/57/630226357.db2.gz BECMDOMQBSQOSE-HERUPUMHSA-N 0 0 285.334 3.279 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)on1 ZINC000801549795 630343099 /nfs/dbraw/zinc/34/30/99/630343099.db2.gz ANLGOJSLMBKZIE-UHFFFAOYSA-N 0 0 288.347 3.131 20 10 CGCDRN CC1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000802651240 630402302 /nfs/dbraw/zinc/40/23/02/630402302.db2.gz KQQLUSSAGGDDQI-UHFFFAOYSA-N 0 0 289.379 3.037 20 10 CGCDRN CCC(CC)(CCO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000802656311 630403251 /nfs/dbraw/zinc/40/32/51/630403251.db2.gz NPHPMUFLMBKSAV-UHFFFAOYSA-N 0 0 289.778 3.216 20 10 CGCDRN Cc1cc(C(=O)OCCCCF)c(C)n1-c1ccccn1 ZINC000803274010 630459885 /nfs/dbraw/zinc/45/98/85/630459885.db2.gz AKFPEKJVDPKTAS-UHFFFAOYSA-N 0 0 290.338 3.396 20 10 CGCDRN Cc1cc2c(cc1C)N(C(=O)/C=C\c1cncc(O)c1)CC2 ZINC000804321577 630519900 /nfs/dbraw/zinc/51/99/00/630519900.db2.gz AEDYLMJLSNLRRR-ARJAWSKDSA-N 0 0 294.354 3.007 20 10 CGCDRN O=[N+]([O-])c1cc2c(ncnc2Sc2nccs2)s1 ZINC000804371597 630523673 /nfs/dbraw/zinc/52/36/73/630523673.db2.gz CUSLPARBGODSLL-UHFFFAOYSA-N 0 0 296.358 3.207 20 10 CGCDRN CN(Cc1ccccc1O)c1ncccc1Br ZINC000804577651 630538190 /nfs/dbraw/zinc/53/81/90/630538190.db2.gz GLAYDOHRYAHZOD-UHFFFAOYSA-N 0 0 293.164 3.186 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806133408 630545829 /nfs/dbraw/zinc/54/58/29/630545829.db2.gz MOZYOJUBWSNSCL-FZMZJTMJSA-N 0 0 282.815 3.181 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1cccc(Cl)c1[O-] ZINC000806140944 630547843 /nfs/dbraw/zinc/54/78/43/630547843.db2.gz ODZFSSMQJJXATG-CYBMUJFWSA-N 0 0 279.771 3.318 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c(O)c1O ZINC000836887463 634823478 /nfs/dbraw/zinc/82/34/78/634823478.db2.gz FRSSSFWNETVIKT-KGLIPLIRSA-N 0 0 291.391 3.159 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c(O)c1O ZINC000836887461 634823663 /nfs/dbraw/zinc/82/36/63/634823663.db2.gz FRSSSFWNETVIKT-KBPBESRZSA-N 0 0 291.391 3.159 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC=C(c2ccccc2)C1 ZINC000807554365 630592542 /nfs/dbraw/zinc/59/25/42/630592542.db2.gz GVUQWDPFPDZEFW-UHFFFAOYSA-N 0 0 285.368 3.383 20 10 CGCDRN CC(=O)C(=O)CS[C@H](C)c1ccc(Cl)cc1 ZINC000808021751 630618768 /nfs/dbraw/zinc/61/87/68/630618768.db2.gz CWZIVRADFUGXBK-SECBINFHSA-N 0 0 256.754 3.292 20 10 CGCDRN CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809723273 630791642 /nfs/dbraw/zinc/79/16/42/630791642.db2.gz FDYBPIFCTCMOPB-NSHDSACASA-N 0 0 257.736 3.463 20 10 CGCDRN COc1ccc(O)c(CNc2ccnc3cc(F)cnc32)c1 ZINC000811805837 631121170 /nfs/dbraw/zinc/12/11/70/631121170.db2.gz CHDUJCKWFRURKP-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(OC(C)C)nn2)cc1C ZINC000811839494 631125549 /nfs/dbraw/zinc/12/55/49/631125549.db2.gz HHEOKGXTZMWZEZ-UHFFFAOYSA-N 0 0 287.363 3.198 20 10 CGCDRN CO[C@@](C)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000812734702 631298920 /nfs/dbraw/zinc/29/89/20/631298920.db2.gz QZDMQFBZYXTOIK-VFZGTOFNSA-N 0 0 285.334 3.136 20 10 CGCDRN C=Cc1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC000812918580 631332581 /nfs/dbraw/zinc/33/25/81/631332581.db2.gz ALRTXUDBVCRWPK-UHFFFAOYSA-N 0 0 296.370 3.077 20 10 CGCDRN CC[C@H]1CCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000813719993 631456285 /nfs/dbraw/zinc/45/62/85/631456285.db2.gz QJOLOTYAIOFISS-OCCSQVGLSA-N 0 0 275.396 3.008 20 10 CGCDRN COCC(C)(C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000814178374 631538575 /nfs/dbraw/zinc/53/85/75/631538575.db2.gz NMGLEOJSOTURCG-UHFFFAOYSA-N 0 0 275.751 3.042 20 10 CGCDRN COc1ccc(N(C)CCC2(OC)CCC2)cc1F ZINC000815061524 631709458 /nfs/dbraw/zinc/70/94/58/631709458.db2.gz YEBXZMNPRNITNI-UHFFFAOYSA-N 0 0 267.344 3.230 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815565342 631796922 /nfs/dbraw/zinc/79/69/22/631796922.db2.gz LETMAGLCEUOOBQ-UWVGGRQHSA-N 0 0 289.297 3.098 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2conc2C)cc1 ZINC000816482503 631988853 /nfs/dbraw/zinc/98/88/53/631988853.db2.gz IFFWSSBMJNIAJL-UHFFFAOYSA-N 0 0 287.407 3.461 20 10 CGCDRN CC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816481486 631990314 /nfs/dbraw/zinc/99/03/14/631990314.db2.gz XWYXDBHIOBSHSD-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000816529023 632004181 /nfs/dbraw/zinc/00/41/81/632004181.db2.gz CXGBXZFAKFPEJC-UHFFFAOYSA-N 0 0 265.715 3.475 20 10 CGCDRN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816551312 632008761 /nfs/dbraw/zinc/00/87/61/632008761.db2.gz XEFCGDWFYNJNGU-SNVBAGLBSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCC1 ZINC000816559811 632013692 /nfs/dbraw/zinc/01/36/92/632013692.db2.gz WAZJTACWNAFIEO-QMMMGPOBSA-N 0 0 257.736 3.463 20 10 CGCDRN CCc1nocc1CN(C)c1ccc(OC)c(F)c1 ZINC000816566542 632014339 /nfs/dbraw/zinc/01/43/39/632014339.db2.gz YFDFUNJYOPNBIK-UHFFFAOYSA-N 0 0 264.300 3.021 20 10 CGCDRN C[N@H+](Cc1ccncc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816568812 632015094 /nfs/dbraw/zinc/01/50/94/632015094.db2.gz QWGOIOIQFVLTGR-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCOC1 ZINC000816566014 632015310 /nfs/dbraw/zinc/01/53/10/632015310.db2.gz IUURDUYQBJYOEL-ZJUUUORDSA-N 0 0 287.762 3.089 20 10 CGCDRN Cc1noc([C@H](C)NCc2ccc3ccccc3c2O)n1 ZINC000816590106 632019446 /nfs/dbraw/zinc/01/94/46/632019446.db2.gz RJLSHSORYQRLAE-JTQLQIEISA-N 0 0 283.331 3.088 20 10 CGCDRN C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609313 632022401 /nfs/dbraw/zinc/02/24/01/632022401.db2.gz XMBUIURXGDZJEI-WRWORJQWSA-N 0 0 275.776 3.026 20 10 CGCDRN CCOCC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816613342 632024145 /nfs/dbraw/zinc/02/41/45/632024145.db2.gz QPINPTLGOGMHOW-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN CCCc1[nH]ccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000817535380 632180567 /nfs/dbraw/zinc/18/05/67/632180567.db2.gz ACGLHBJMZAUBKG-UHFFFAOYSA-N 0 0 299.418 3.272 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000817550730 632182051 /nfs/dbraw/zinc/18/20/51/632182051.db2.gz YTYBKDVSBJDFLV-RVMXOQNASA-N 0 0 289.375 3.014 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)cc12 ZINC000817761941 632222985 /nfs/dbraw/zinc/22/29/85/632222985.db2.gz NCZAHZMOKHKYQQ-VMGRFDJRSA-N 0 0 299.370 3.268 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](C2CCCC2)C1 ZINC000817766305 632224049 /nfs/dbraw/zinc/22/40/49/632224049.db2.gz OTTLNNCTBFYKIW-LLVKDONJSA-N 0 0 265.378 3.106 20 10 CGCDRN C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817960744 632256658 /nfs/dbraw/zinc/25/66/58/632256658.db2.gz QYQCWMGZYZLLRM-JMCQJSRRSA-N 0 0 289.206 3.087 20 10 CGCDRN Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000817981353 632271639 /nfs/dbraw/zinc/27/16/39/632271639.db2.gz RISXVIBJDNGCEQ-NSHDSACASA-N 0 0 274.339 3.273 20 10 CGCDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2)nc1 ZINC000818556517 632334161 /nfs/dbraw/zinc/33/41/61/632334161.db2.gz YIPYLHUXXMSQHQ-UHFFFAOYSA-N 0 0 269.348 3.214 20 10 CGCDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556532 632334207 /nfs/dbraw/zinc/33/42/07/632334207.db2.gz YULNHROSWDTWGI-CHWSQXEVSA-N 0 0 272.373 3.381 20 10 CGCDRN CCCCOc1ccccc1NC[C@@H](O)CSC ZINC000819419859 632455626 /nfs/dbraw/zinc/45/56/26/632455626.db2.gz KEVKELWWPNTGET-GFCCVEGCSA-N 0 0 269.410 3.001 20 10 CGCDRN C[C@H](Nc1ccc(Cl)nn1)c1ccc(N(C)C)cc1 ZINC000819925229 632537021 /nfs/dbraw/zinc/53/70/21/632537021.db2.gz UPWITRXGMRLPGZ-JTQLQIEISA-N 0 0 276.771 3.369 20 10 CGCDRN Cc1cc(C)c(NC(=O)N(C)Cc2ccccc2O)c(C)n1 ZINC000821439476 632774059 /nfs/dbraw/zinc/77/40/59/632774059.db2.gz JNKNTPVCBBRMCG-UHFFFAOYSA-N 0 0 299.374 3.376 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822670955 633003090 /nfs/dbraw/zinc/00/30/90/633003090.db2.gz BRYMZLPQLDCDHW-ZYHUDNBSSA-N 0 0 288.351 3.015 20 10 CGCDRN CCc1nc2sccc2c(N2Cc3cccc(O)c3C2)n1 ZINC000866118102 633003732 /nfs/dbraw/zinc/00/37/32/633003732.db2.gz WMOBHPGZXSAEHJ-UHFFFAOYSA-N 0 0 297.383 3.480 20 10 CGCDRN CCCc1cc(N2Cc3cccc(O)c3C2)nc(Cl)n1 ZINC000866116850 633004353 /nfs/dbraw/zinc/00/43/53/633004353.db2.gz CLQDBDJTQWPOJV-UHFFFAOYSA-N 0 0 289.766 3.308 20 10 CGCDRN CC(C)n1nccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000866161874 633014872 /nfs/dbraw/zinc/01/48/72/633014872.db2.gz YQFOQJLEHUJWQR-NSHDSACASA-N 0 0 288.351 3.052 20 10 CGCDRN C[C@@H](Nc1ncnc2c1ncn2C1CC1)c1ccccc1O ZINC000866238905 633039212 /nfs/dbraw/zinc/03/92/12/633039212.db2.gz RERUKVMQJFQLCK-SNVBAGLBSA-N 0 0 295.346 3.040 20 10 CGCDRN CCOC(=O)c1cnc(N[C@@H](C)c2ccccc2O)s1 ZINC000866239578 633040055 /nfs/dbraw/zinc/04/00/55/633040055.db2.gz VOQPKVWEDDFRJG-VIFPVBQESA-N 0 0 292.360 3.199 20 10 CGCDRN C[C@H]1CCC(C)(C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823475825 633111742 /nfs/dbraw/zinc/11/17/42/633111742.db2.gz UYROVKPQYJUFKK-JTQLQIEISA-N 0 0 288.351 3.252 20 10 CGCDRN C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC=CCC1 ZINC000823545882 633119212 /nfs/dbraw/zinc/11/92/12/633119212.db2.gz GVMRZEXSXZTWDL-OAHLLOKOSA-N 0 0 286.335 3.078 20 10 CGCDRN CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000866414306 633127496 /nfs/dbraw/zinc/12/74/96/633127496.db2.gz CYDCDDVELIOHFS-CMPLNLGQSA-N 0 0 271.788 3.247 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866450561 633138792 /nfs/dbraw/zinc/13/87/92/633138792.db2.gz WWKBEUCCUJERDS-TVYUQYBPSA-N 0 0 282.315 3.232 20 10 CGCDRN C[C@]1(C(=O)NCc2cc(Cl)ccc2O)C=CCC1 ZINC000823987128 633179257 /nfs/dbraw/zinc/17/92/57/633179257.db2.gz QBBVCFIYSCJUNU-AWEZNQCLSA-N 0 0 265.740 3.018 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC23CCCC3)cc1 ZINC000824169255 633207610 /nfs/dbraw/zinc/20/76/10/633207610.db2.gz RPAFBLGVBYWKCA-UHFFFAOYSA-N 0 0 286.335 3.008 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)C1CCC=CCC1 ZINC000824213228 633212446 /nfs/dbraw/zinc/21/24/46/633212446.db2.gz LMDIKAVULQDNII-UHFFFAOYSA-N 0 0 279.767 3.408 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1c(C2CCC2)cnn1C ZINC000824474923 633249167 /nfs/dbraw/zinc/24/91/67/633249167.db2.gz WITUDUHJEPJTIA-UHFFFAOYSA-N 0 0 297.402 3.259 20 10 CGCDRN COc1ccc(N(C)Cc2cn3c(cccc3C)n2)cc1F ZINC000121755563 633258370 /nfs/dbraw/zinc/25/83/70/633258370.db2.gz BRMJWBSYSSDOOB-UHFFFAOYSA-N 0 0 299.349 3.427 20 10 CGCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868060998 633292828 /nfs/dbraw/zinc/29/28/28/633292828.db2.gz RMDREVLNLICDGK-LLVKDONJSA-N 0 0 290.388 3.323 20 10 CGCDRN C[C@@H](NC(=O)NCC1(C)CCCC1)c1ccccc1O ZINC000868229385 633307381 /nfs/dbraw/zinc/30/73/81/633307381.db2.gz OBPNKRXOOSXMEH-GFCCVEGCSA-N 0 0 276.380 3.333 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H](C)C1CCCC1)c1ccccc1O ZINC000868254362 633308233 /nfs/dbraw/zinc/30/82/33/633308233.db2.gz XCGYURHBSSVDDB-NWDGAFQWSA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])c2nccn21 ZINC000825017700 633318525 /nfs/dbraw/zinc/31/85/25/633318525.db2.gz XOQVEXOETHSHIR-PELKAZGASA-N 0 0 295.745 3.177 20 10 CGCDRN CO[C@H]([C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000825098252 633327748 /nfs/dbraw/zinc/32/77/48/633327748.db2.gz DZZLFQAWEFWHJK-XLKFXECMSA-N 0 0 287.762 3.088 20 10 CGCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000825104442 633329541 /nfs/dbraw/zinc/32/95/41/633329541.db2.gz XAGJZQOTXQWFGX-KGLIPLIRSA-N 0 0 295.810 3.435 20 10 CGCDRN C[C@H](NC(=O)NC[C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000868569080 633337256 /nfs/dbraw/zinc/33/72/56/633337256.db2.gz VSJQNMNBXKNPOP-QWRGUYRKSA-N 0 0 298.333 3.188 20 10 CGCDRN Cc1cc(O)c(CN[C@H](C)C(=O)OC(C)(C)C)cc1Cl ZINC000825436021 633354095 /nfs/dbraw/zinc/35/40/95/633354095.db2.gz NIEHXDWLIITVOV-SNVBAGLBSA-N 0 0 299.798 3.174 20 10 CGCDRN CN(Cc1c(C2CCC2)cnn1C)c1ccc2c(c1)OCO2 ZINC000825469343 633357051 /nfs/dbraw/zinc/35/70/51/633357051.db2.gz WTMWMRPPTICAEX-UHFFFAOYSA-N 0 0 299.374 3.053 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(CC)n1 ZINC000825678638 633373522 /nfs/dbraw/zinc/37/35/22/633373522.db2.gz HIDUFRILHDBGIA-UHFFFAOYSA-N 0 0 298.386 3.402 20 10 CGCDRN Cc1cc(O)c(CN2CCCc3n[nH]cc32)cc1Cl ZINC000825726041 633377468 /nfs/dbraw/zinc/37/74/68/633377468.db2.gz DHFMMPJGIYIBAE-UHFFFAOYSA-N 0 0 277.755 3.030 20 10 CGCDRN Cc1cc(O)c(CN[C@H](C)c2csnn2)cc1Cl ZINC000826123067 633407249 /nfs/dbraw/zinc/40/72/49/633407249.db2.gz FPSWQXJWUALCBR-MRVPVSSYSA-N 0 0 283.784 3.056 20 10 CGCDRN COC1CC(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826796056 633433723 /nfs/dbraw/zinc/43/37/23/633433723.db2.gz GQKLARAEJBRKLG-UHFFFAOYSA-N 0 0 287.762 3.089 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1C ZINC000827081331 633454858 /nfs/dbraw/zinc/45/48/58/633454858.db2.gz HVXHATYFGXFLLD-UHFFFAOYSA-N 0 0 298.386 3.456 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@]1(C)CC=CCC1 ZINC000827081669 633455214 /nfs/dbraw/zinc/45/52/14/633455214.db2.gz PGWHPLMCKSHFQJ-INIZCTEOSA-N 0 0 259.349 3.097 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000827177987 633468382 /nfs/dbraw/zinc/46/83/82/633468382.db2.gz FBRXYMQJZVRUHI-GJZGRUSLSA-N 0 0 289.762 3.314 20 10 CGCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC000844972698 635992611 /nfs/dbraw/zinc/99/26/11/635992611.db2.gz GFOINGGYTQRZGD-SNVBAGLBSA-N 0 0 296.798 3.424 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000827303324 633479676 /nfs/dbraw/zinc/47/96/76/633479676.db2.gz FHHPNMLKJAZFOB-SJCJKPOMSA-N 0 0 289.375 3.324 20 10 CGCDRN CCCCSCCC(=O)N[C@H](C)c1ccccc1O ZINC000827937100 633536515 /nfs/dbraw/zinc/53/65/15/633536515.db2.gz KIHBUSTVNSRORL-GFCCVEGCSA-N 0 0 281.421 3.493 20 10 CGCDRN C[C@@H](NC(=O)CO[C@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000827937548 633537709 /nfs/dbraw/zinc/53/77/09/633537709.db2.gz YUPQGWSBTRZRMS-MCIONIFRSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)[C@@]12C[C@@H]1CCCC2)c1ccccc1O ZINC000827957585 633540380 /nfs/dbraw/zinc/54/03/80/633540380.db2.gz WDJPBCPMHNXTJV-MKBNYLNASA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@@H](NC(=O)C1CC2(CC2(F)F)C1)c1ccccc1O ZINC000827956792 633540386 /nfs/dbraw/zinc/54/03/86/633540386.db2.gz PFPSQXOIMORSSZ-NAUIOFCNSA-N 0 0 281.302 3.005 20 10 CGCDRN C[C@H](NC(=O)CC(F)(F)C(F)(F)F)c1ccccc1O ZINC000827957372 633540707 /nfs/dbraw/zinc/54/07/07/633540707.db2.gz VTBHYMXQBVNWBU-ZETCQYMHSA-N 0 0 297.223 3.157 20 10 CGCDRN C[C@@H](NC(=O)[C@]12C[C@H]1CCCC2)c1ccccc1O ZINC000827957589 633540762 /nfs/dbraw/zinc/54/07/62/633540762.db2.gz WDJPBCPMHNXTJV-XHBSWPGZSA-N 0 0 259.349 3.150 20 10 CGCDRN CCC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827968858 633541902 /nfs/dbraw/zinc/54/19/02/633541902.db2.gz BACDWCPEMDXJKS-BFHYXJOUSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)COC1CCC(C)CC1)c1ccccc1O ZINC000827964203 633542190 /nfs/dbraw/zinc/54/21/90/633542190.db2.gz HJJABIGPNSSUBI-MOKVOYLWSA-N 0 0 291.391 3.165 20 10 CGCDRN CC(C)c1cccc(C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827973203 633542817 /nfs/dbraw/zinc/54/28/17/633542817.db2.gz KLSLOGPXPOXNSK-LBPRGKRZSA-N 0 0 284.359 3.402 20 10 CGCDRN CC[C@H]1C[C@@H](CC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827969159 633543075 /nfs/dbraw/zinc/54/30/75/633543075.db2.gz IUZUEJDHLSJGDL-IHRRRGAJSA-N 0 0 291.391 3.165 20 10 CGCDRN COc1cncc(/C=C\CC[N@H+](C)Cc2ccccc2O)c1 ZINC000828062575 633555287 /nfs/dbraw/zinc/55/52/87/633555287.db2.gz KSYIEWGPQNSIDD-ALCCZGGFSA-N 0 0 298.386 3.331 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1nnc(C(C)C)s1 ZINC000828205643 633583522 /nfs/dbraw/zinc/58/35/22/633583522.db2.gz GFKCTNFKZGTVSK-UHFFFAOYSA-N 0 0 289.404 3.233 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CC=CCC1)c1ccccc1O ZINC000828539355 633626027 /nfs/dbraw/zinc/62/60/27/633626027.db2.gz NEZRGAWRQFMYEH-QWHCGFSZSA-N 0 0 259.349 3.316 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000828885039 633664913 /nfs/dbraw/zinc/66/49/13/633664913.db2.gz RUJCUSWWWJPHEU-GXTWGEPZSA-N 0 0 293.407 3.217 20 10 CGCDRN C[C@H]1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203341 633723165 /nfs/dbraw/zinc/72/31/65/633723165.db2.gz XZIQNYCOTGGPAA-RYUDHWBXSA-N 0 0 259.349 3.061 20 10 CGCDRN CC(C)c1nc(C(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000871201434 633723222 /nfs/dbraw/zinc/72/32/22/633723222.db2.gz VUWZOZWJPBCITK-UHFFFAOYSA-N 0 0 288.372 3.128 20 10 CGCDRN COc1cccc([C@H](C)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871200999 633723457 /nfs/dbraw/zinc/72/34/57/633723457.db2.gz OSNAAADNWYBRIF-LBPRGKRZSA-N 0 0 297.354 3.047 20 10 CGCDRN CCCC1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000871203813 633724389 /nfs/dbraw/zinc/72/43/89/633724389.db2.gz RLOWFSCQURXVBU-UHFFFAOYSA-N 0 0 259.349 3.205 20 10 CGCDRN O=C(N1Cc2cccc(O)c2C1)C1(C(F)F)CCCC1 ZINC000871205442 633725441 /nfs/dbraw/zinc/72/54/41/633725441.db2.gz SRRSDUVLYPKTPI-UHFFFAOYSA-N 0 0 281.302 3.060 20 10 CGCDRN Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)c(C2CC2)n1 ZINC000871206210 633726141 /nfs/dbraw/zinc/72/61/41/633726141.db2.gz WDJHKOWXKSATLS-UHFFFAOYSA-N 0 0 294.354 3.129 20 10 CGCDRN CC/C(C)=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000829816561 633797016 /nfs/dbraw/zinc/79/70/16/633797016.db2.gz DDEFCBRWXZWYLV-YLGBQOPLSA-N 0 0 260.381 3.286 20 10 CGCDRN CC1=CC[C@@](C)(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000830140680 633831795 /nfs/dbraw/zinc/83/17/95/633831795.db2.gz GGYMHLAXEIUWFR-QGZVFWFLSA-N 0 0 273.376 3.487 20 10 CGCDRN O=C(NCCCSc1nccs1)OC1CCCC1 ZINC000830498815 633867749 /nfs/dbraw/zinc/86/77/49/633867749.db2.gz OETHFTRMMJZDMR-UHFFFAOYSA-N 0 0 286.422 3.294 20 10 CGCDRN COc1cccc(CNC(=O)[C@]2(C)CC=C(C)CC2)c1O ZINC000830537030 633869756 /nfs/dbraw/zinc/86/97/56/633869756.db2.gz ZPQMKPQSICTDKD-QGZVFWFLSA-N 0 0 289.375 3.154 20 10 CGCDRN CCn1cc(CCN(CC2CC2)c2ccc(OC)cc2)cn1 ZINC000831587549 633980209 /nfs/dbraw/zinc/98/02/09/633980209.db2.gz DWMJDNKLHWKFMI-UHFFFAOYSA-N 0 0 299.418 3.371 20 10 CGCDRN COc1ccc(N(Cc2ccon2)CC2CC2)cc1 ZINC000831587796 633980247 /nfs/dbraw/zinc/98/02/47/633980247.db2.gz MGVPCASKBKWNFX-UHFFFAOYSA-N 0 0 258.321 3.100 20 10 CGCDRN CCn1ncc(N[C@H](C)c2cc(OC)ccc2O)c1C ZINC000872137124 634059981 /nfs/dbraw/zinc/05/99/81/634059981.db2.gz JPJGEZASZGHCJF-SNVBAGLBSA-N 0 0 275.352 3.099 20 10 CGCDRN CCN1C(=O)/C(=C\c2csc(C)c2)SC1=S ZINC000834399075 634161466 /nfs/dbraw/zinc/16/14/66/634161466.db2.gz XPIKJDMEGDTMLJ-WEVVVXLNSA-N 0 0 269.416 3.278 20 10 CGCDRN CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834882970 634265568 /nfs/dbraw/zinc/26/55/68/634265568.db2.gz FKBCKCCQOOELBJ-BBBLOLIVSA-N 0 0 255.308 3.367 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894292 634271793 /nfs/dbraw/zinc/27/17/93/634271793.db2.gz KBQPACIWZVGDLZ-BPNCWPANSA-N 0 0 289.354 3.475 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000834909542 634284681 /nfs/dbraw/zinc/28/46/81/634284681.db2.gz LNPTVOMKRQVBSC-VXGBXAGGSA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1ccc(SCC(=O)Nc2ccc(N)cc2)cc1 ZINC000019846209 634291883 /nfs/dbraw/zinc/29/18/83/634291883.db2.gz FEASBJTUMBWAQO-UHFFFAOYSA-N 0 0 272.373 3.308 20 10 CGCDRN COc1cc(F)c(NCc2ccc(C)cc2O)cc1OC ZINC000876835023 634912133 /nfs/dbraw/zinc/91/21/33/634912133.db2.gz RFHZUCHRSXESAX-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN Cc1ccc(CNc2ccc3c(c2)CCO3)c(O)c1 ZINC000877047012 634962836 /nfs/dbraw/zinc/96/28/36/634962836.db2.gz SAMMHAVRJHMGPF-UHFFFAOYSA-N 0 0 255.317 3.248 20 10 CGCDRN CN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)c1ccc(N)cc1 ZINC000877074801 634972348 /nfs/dbraw/zinc/97/23/48/634972348.db2.gz SIUIWSXBZPKNBP-HUUCEWRRSA-N 0 0 258.365 3.058 20 10 CGCDRN COc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078564 634975462 /nfs/dbraw/zinc/97/54/62/634975462.db2.gz UYMJNFKHLVDTPX-CYBMUJFWSA-N 0 0 298.386 3.434 20 10 CGCDRN CN(C(=O)c1ccc2c(c1)CCCC2)c1ccc(N)cc1 ZINC000877078715 634975754 /nfs/dbraw/zinc/97/57/54/634975754.db2.gz BDQKIKASHRPNCU-UHFFFAOYSA-N 0 0 280.371 3.424 20 10 CGCDRN Cc1ccc(CNc2ccc(N3CCCC3)nc2)c(O)c1 ZINC000877116095 634988320 /nfs/dbraw/zinc/98/83/20/634988320.db2.gz QQSZTHQYXROBKW-UHFFFAOYSA-N 0 0 283.375 3.308 20 10 CGCDRN C/C=C\C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000877118678 634989315 /nfs/dbraw/zinc/98/93/15/634989315.db2.gz JPKMOVJXNIFVSM-GWQWAINWSA-N 0 0 272.392 3.016 20 10 CGCDRN C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877317283 635024656 /nfs/dbraw/zinc/02/46/56/635024656.db2.gz IBPVCPCXGCUOLJ-SNVBAGLBSA-N 0 0 278.302 3.258 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840816672 635057938 /nfs/dbraw/zinc/05/79/38/635057938.db2.gz XHPHARVPFZFABH-GXFFZTMASA-N 0 0 277.343 3.067 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000840860549 635067511 /nfs/dbraw/zinc/06/75/11/635067511.db2.gz UPNKUWCPHDGWIA-CDMKHQONSA-N 0 0 269.385 3.466 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])[C@@H](O)C(C)C ZINC000840881665 635072400 /nfs/dbraw/zinc/07/24/00/635072400.db2.gz IRNWRTOKDMTRIU-LZWOXQAQSA-N 0 0 283.387 3.368 20 10 CGCDRN COC1([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000840883952 635073483 /nfs/dbraw/zinc/07/34/83/635073483.db2.gz HTTUDTWHPBXOQC-ZJUUUORDSA-N 0 0 285.334 3.279 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(N)=O)c(C)c1 ZINC000840885392 635073904 /nfs/dbraw/zinc/07/39/04/635073904.db2.gz XTABXMSNYQULNA-UHFFFAOYSA-N 0 0 297.402 3.080 20 10 CGCDRN CC[C@H](N[C@@H](C)c1csnn1)c1ccc(C)cc1O ZINC000840885304 635074614 /nfs/dbraw/zinc/07/46/14/635074614.db2.gz BKAZZOSAZSICCL-JQWIXIFHSA-N 0 0 277.393 3.354 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2nccs2)c(Cl)c1 ZINC000840917778 635082834 /nfs/dbraw/zinc/08/28/34/635082834.db2.gz MOHUZJSCJIEJDG-UHFFFAOYSA-N 0 0 282.796 3.443 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccccc1CO ZINC000840923895 635082843 /nfs/dbraw/zinc/08/28/43/635082843.db2.gz UGHXMCJHLJITNP-UHFFFAOYSA-N 0 0 270.376 3.165 20 10 CGCDRN COC[C@H](NCc1ccc(N(C)C)cc1C)c1ccco1 ZINC000840935430 635085155 /nfs/dbraw/zinc/08/51/55/635085155.db2.gz PEIPXAPLDRMZCG-INIZCTEOSA-N 0 0 288.391 3.131 20 10 CGCDRN Cc1nnc([C@@H](C)NCc2ccc(N(C)C)cc2C)s1 ZINC000840940238 635087275 /nfs/dbraw/zinc/08/72/75/635087275.db2.gz XKRJQOIFLVKWAF-LLVKDONJSA-N 0 0 290.436 3.072 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@@H](C1CC1)C(F)(F)F ZINC000840945683 635089698 /nfs/dbraw/zinc/08/96/98/635089698.db2.gz UWLOOKUGBBVKPR-AWEZNQCLSA-N 0 0 286.341 3.492 20 10 CGCDRN CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H](O)C(C)C ZINC000840967568 635096086 /nfs/dbraw/zinc/09/60/86/635096086.db2.gz HRWZYCVZGYOPRK-RISCZKNCSA-N 0 0 289.778 3.070 20 10 CGCDRN Cc1ccc(O)c(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000840998383 635101959 /nfs/dbraw/zinc/10/19/59/635101959.db2.gz BCFLMEKIBZNFFM-ZDUSSCGKSA-N 0 0 279.380 3.070 20 10 CGCDRN C[C@H](C[N@H+](C)Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-] ZINC000840999171 635102144 /nfs/dbraw/zinc/10/21/44/635102144.db2.gz OYWWSLPLZNDEHR-CYBMUJFWSA-N 0 0 299.370 3.212 20 10 CGCDRN Oc1cc2c(cc1CNc1ccc3c(c1)CCCN3)OCO2 ZINC000841037887 635111061 /nfs/dbraw/zinc/11/10/61/635111061.db2.gz ZFHZUXUKSWBKFE-UHFFFAOYSA-N 0 0 298.342 3.091 20 10 CGCDRN COc1cccc2c1CC[C@@H](Nc1ccc(N)cc1)C2 ZINC000841040870 635112382 /nfs/dbraw/zinc/11/23/82/635112382.db2.gz VWYITYRHVWHZND-OAHLLOKOSA-N 0 0 268.360 3.247 20 10 CGCDRN CSCC1(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877625518 635119527 /nfs/dbraw/zinc/11/95/27/635119527.db2.gz ZRFHOCRZMDXGRO-UHFFFAOYSA-N 0 0 287.375 3.293 20 10 CGCDRN COCC1(C2CC2)C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877686326 635146391 /nfs/dbraw/zinc/14/63/91/635146391.db2.gz NSNBERUGWHWBTJ-UHFFFAOYSA-N 0 0 299.773 3.043 20 10 CGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1ccc(N)cc1 ZINC000841296520 635148116 /nfs/dbraw/zinc/14/81/16/635148116.db2.gz ULQYMGKSMVZETN-NSHDSACASA-N 0 0 289.301 3.367 20 10 CGCDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297280 635148155 /nfs/dbraw/zinc/14/81/55/635148155.db2.gz OBGBPMYCLFMHDN-KCJUWKMLSA-N 0 0 287.285 3.073 20 10 CGCDRN CC(C)(CC(F)(F)F)NC(=O)Nc1ccc(N)cc1 ZINC000841296836 635148566 /nfs/dbraw/zinc/14/85/66/635148566.db2.gz ZOXJGNLIFXLURG-UHFFFAOYSA-N 0 0 275.274 3.121 20 10 CGCDRN CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc(N)cc1 ZINC000841296604 635148726 /nfs/dbraw/zinc/14/87/26/635148726.db2.gz WEIALNOZSICDLW-UHFFFAOYSA-N 0 0 295.386 3.464 20 10 CGCDRN CCC(CC)[C@H](CCNC(=O)Nc1ccc(N)cc1)OC ZINC000841298570 635149556 /nfs/dbraw/zinc/14/95/56/635149556.db2.gz QVDBUTBMDDKJQE-HNNXBMFYSA-N 0 0 293.411 3.232 20 10 CGCDRN COCc1cc(NCc2c(C)cccc2O)ccc1OC ZINC000877701883 635152874 /nfs/dbraw/zinc/15/28/74/635152874.db2.gz CCUAZWWIJUOJOD-UHFFFAOYSA-N 0 0 287.359 3.468 20 10 CGCDRN C[C@@H](NCc1coc(C2CC2)n1)c1ccccc1O ZINC000877756500 635185612 /nfs/dbraw/zinc/18/56/12/635185612.db2.gz NDELGKYLTXNRIN-SNVBAGLBSA-N 0 0 258.321 3.108 20 10 CGCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743938 635222008 /nfs/dbraw/zinc/22/20/08/635222008.db2.gz DLWKSTNHGBJIAX-MNOVXSKESA-N 0 0 298.814 3.001 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841744774 635222481 /nfs/dbraw/zinc/22/24/81/635222481.db2.gz LAQDAKJSDGCKEU-MNOVXSKESA-N 0 0 269.772 3.123 20 10 CGCDRN CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744769 635222688 /nfs/dbraw/zinc/22/26/88/635222688.db2.gz SQXKTFJQSKXWBA-YPMHNXCESA-N 0 0 282.815 3.181 20 10 CGCDRN CSCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841764626 635234448 /nfs/dbraw/zinc/23/44/48/635234448.db2.gz QUQFXKRZDRHTBT-VIFPVBQESA-N 0 0 259.802 3.449 20 10 CGCDRN Cc1cc(O)c([C@H]2NC(=O)c3ccccc3N2)cc1Cl ZINC000877844793 635239381 /nfs/dbraw/zinc/23/93/81/635239381.db2.gz ZFFUVGPCZOHWHJ-CQSZACIVSA-N 0 0 288.734 3.208 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cc(C)c(C)cc1O)N2 ZINC000877862356 635243819 /nfs/dbraw/zinc/24/38/19/635243819.db2.gz WHBXRWJLPFOFQB-MRXNPFEDSA-N 0 0 282.343 3.172 20 10 CGCDRN CCC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCC1 ZINC000841956166 635252260 /nfs/dbraw/zinc/25/22/60/635252260.db2.gz XGTOELIUTYVWOR-INIZCTEOSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@@H]1c2ccccc2CN1C(=O)NCCc1ccc(N)cc1 ZINC000841960359 635253088 /nfs/dbraw/zinc/25/30/88/635253088.db2.gz NYWXLGXXFXNIRJ-CYBMUJFWSA-N 0 0 295.386 3.098 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)[C@H](C)[C@@H]2C)cc1OC ZINC000842048845 635265882 /nfs/dbraw/zinc/26/58/82/635265882.db2.gz LIVYMMDSFQJLDU-DCAQKATOSA-N 0 0 294.351 3.093 20 10 CGCDRN COCC1(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000842728046 635451340 /nfs/dbraw/zinc/45/13/40/635451340.db2.gz APEDMMZBUWOQRD-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN CC[C@H](NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000842771213 635466784 /nfs/dbraw/zinc/46/67/84/635466784.db2.gz ISCUSVPJCWEFTB-LBPRGKRZSA-N 0 0 299.798 3.256 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCC(=O)C3)cc12 ZINC000842820822 635482300 /nfs/dbraw/zinc/48/23/00/635482300.db2.gz DIKVUSUJSPYUOU-LBPRGKRZSA-N 0 0 285.343 3.070 20 10 CGCDRN CC[C@H](N[C@@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000842926415 635512842 /nfs/dbraw/zinc/51/28/42/635512842.db2.gz XWOGPTRXMAPOPW-JSGCOSHPSA-N 0 0 293.407 3.472 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054107 635551839 /nfs/dbraw/zinc/55/18/39/635551839.db2.gz 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285.391 3.235 20 10 CGCDRN C[C@@H](NC(=O)c1cnc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000879538966 635807042 /nfs/dbraw/zinc/80/70/42/635807042.db2.gz NRWHHDKUCMGDGU-LLVKDONJSA-N 0 0 299.374 3.109 20 10 CGCDRN CCc1ccc(CN(C)c2ccc(OC)cc2)nc1 ZINC000844356586 635878299 /nfs/dbraw/zinc/87/82/99/635878299.db2.gz VKYGDIMAMDHBKR-UHFFFAOYSA-N 0 0 256.349 3.289 20 10 CGCDRN CCc1ccncc1NCc1ccc(N(C)C)cc1 ZINC000844706540 635956145 /nfs/dbraw/zinc/95/61/45/635956145.db2.gz OUBXHMNLHITSIK-UHFFFAOYSA-N 0 0 255.365 3.322 20 10 CGCDRN COc1cccc(CNC(=O)/C=C(/C)c2ccccc2)c1O ZINC000105650517 635976482 /nfs/dbraw/zinc/97/64/82/635976482.db2.gz ZFNHFFWKKXUVAP-QBFSEMIESA-N 0 0 297.354 3.121 20 10 CGCDRN CCC1=C(C(=O)NCc2cc(Cl)ccc2O)CCCO1 ZINC000846472862 636187274 /nfs/dbraw/zinc/18/72/74/636187274.db2.gz GHDPAYLWSHZGKR-UHFFFAOYSA-N 0 0 295.766 3.136 20 10 CGCDRN CCC(C)(C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846475517 636187941 /nfs/dbraw/zinc/18/79/41/636187941.db2.gz HQHOZVJTLVPVKJ-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN 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CN1CCc2cc(/C=C/c3ccc([N+](=O)[O-])cn3)ccc21 ZINC000130976360 636539476 /nfs/dbraw/zinc/53/94/76/636539476.db2.gz GTCGRZFRBASUBU-DUXPYHPUSA-N 0 0 281.315 3.153 20 10 CGCDRN CC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC=CC1 ZINC000848560999 636606545 /nfs/dbraw/zinc/60/65/45/636606545.db2.gz NPNHQSXQHJBTLO-UHFFFAOYSA-N 0 0 282.727 3.152 20 10 CGCDRN CCc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000848911193 636686556 /nfs/dbraw/zinc/68/65/56/636686556.db2.gz RKEKVKBTMHOFKR-PBHICJAKSA-N 0 0 291.435 3.470 20 10 CGCDRN CCOc1ccc(CN2Cc3ccc(OC)cc3C2)c(O)c1 ZINC000848926497 636699173 /nfs/dbraw/zinc/69/91/73/636699173.db2.gz ZCDJPNXBPGGOQT-UHFFFAOYSA-N 0 0 299.370 3.315 20 10 CGCDRN CCN(C)c1ccc([C@H](C)N[C@H](C)C(F)F)cc1 ZINC000883399588 636739899 /nfs/dbraw/zinc/73/98/99/636739899.db2.gz RELCVOZYHCDFGC-WDEREUQCSA-N 0 0 256.340 3.447 20 10 CGCDRN CC(C)(CC(=O)NCc1ccc(N)cc1)CC(F)(F)F ZINC000883508730 636774961 /nfs/dbraw/zinc/77/49/61/636774961.db2.gz FMLXIMCHGCGIKB-UHFFFAOYSA-N 0 0 288.313 3.254 20 10 CGCDRN COCC[N@@H+](Cc1c(O)cccc1Cl)CC(C)C ZINC000132648014 636827855 /nfs/dbraw/zinc/82/78/55/636827855.db2.gz ALDDOYZISBZTEQ-UHFFFAOYSA-N 0 0 271.788 3.150 20 10 CGCDRN C[C@H]1C[NH+](Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000132756568 636835356 /nfs/dbraw/zinc/83/53/56/636835356.db2.gz LSLBPOAAYVYUQK-UWVGGRQHSA-N 0 0 284.197 3.243 20 10 CGCDRN CC(=O)O[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000849888160 636899584 /nfs/dbraw/zinc/89/95/84/636899584.db2.gz YZCWBKYTWAPCGO-QMMMGPOBSA-N 0 0 259.396 3.442 20 10 CGCDRN CC[C@H](C)NC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849998330 636924365 /nfs/dbraw/zinc/92/43/65/636924365.db2.gz DPGIQSBFCSCVNW-BQBZGAKWSA-N 0 0 278.830 3.192 20 10 CGCDRN COC(=O)CC1(CSc2ncc(Cl)s2)CC1 ZINC000850000236 636925256 /nfs/dbraw/zinc/92/52/56/636925256.db2.gz NNCBMASFJSJAME-UHFFFAOYSA-N 0 0 277.798 3.232 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000007243633 636952697 /nfs/dbraw/zinc/95/26/97/636952697.db2.gz KOOJOPGPKXSWIQ-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc2ccccc2o1 ZINC000133791678 636976977 /nfs/dbraw/zinc/97/69/77/636976977.db2.gz MRHZAGPUCQCFKQ-UHFFFAOYSA-N 0 0 267.284 3.068 20 10 CGCDRN C[C@@H]([NH2+]CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000134912275 637050204 /nfs/dbraw/zinc/05/02/04/637050204.db2.gz QOLLMTJJQVABJE-SSDOTTSWSA-N 0 0 288.160 3.354 20 10 CGCDRN CC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850528651 637106393 /nfs/dbraw/zinc/10/63/93/637106393.db2.gz JKRHUZUDONBZSI-HTQZYQBOSA-N 0 0 278.179 3.121 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000850556173 637120329 /nfs/dbraw/zinc/12/03/29/637120329.db2.gz QEQHAQOEVLXYQZ-MGPLVRAMSA-N 0 0 277.364 3.018 20 10 CGCDRN Nc1ccc(CC(=O)N2CCCC3(CCCC3)CC2)cc1 ZINC000851641397 637464273 /nfs/dbraw/zinc/46/42/73/637464273.db2.gz MCGHALBVINGAFM-UHFFFAOYSA-N 0 0 286.419 3.384 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000886316809 637497137 /nfs/dbraw/zinc/49/71/37/637497137.db2.gz NQPYTAQCCDNDCR-ZDUSSCGKSA-N 0 0 297.345 3.109 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1O ZINC000851901451 637537328 /nfs/dbraw/zinc/53/73/28/637537328.db2.gz FNJOSRPJWHZBLE-CQSZACIVSA-N 0 0 272.348 3.499 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1c([O-])cccc1F ZINC000886489145 637538784 /nfs/dbraw/zinc/53/87/84/637538784.db2.gz AWLRNROHOVEQJX-YPMHNXCESA-N 0 0 292.354 3.078 20 10 CGCDRN C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886501756 637543560 /nfs/dbraw/zinc/54/35/60/637543560.db2.gz XKOAZJGFFAHHKI-OLZOCXBDSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526259 637553212 /nfs/dbraw/zinc/55/32/12/637553212.db2.gz IFJDZEUSXNTFOY-WBMJQRKESA-N 0 0 289.350 3.224 20 10 CGCDRN CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886542560 637567821 /nfs/dbraw/zinc/56/78/21/637567821.db2.gz BQYPAMGVMPUGLC-YWPYICTPSA-N 0 0 281.371 3.386 20 10 CGCDRN C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886547283 637573345 /nfs/dbraw/zinc/57/33/45/637573345.db2.gz IMWMFDXNLYQMAU-YGRLFVJLSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886559754 637580993 /nfs/dbraw/zinc/58/09/93/637580993.db2.gz CTIVFFWIBBTTCZ-WRWGMCAJSA-N 0 0 267.344 3.138 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886611061 637604784 /nfs/dbraw/zinc/60/47/84/637604784.db2.gz RNAMKPCALJMXCW-LLVKDONJSA-N 0 0 269.360 3.245 20 10 CGCDRN COCC1(CC[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886616203 637609374 /nfs/dbraw/zinc/60/93/74/637609374.db2.gz WUPZFMYZGBYJQU-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN COC1CCC([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886623446 637614152 /nfs/dbraw/zinc/61/41/52/637614152.db2.gz DKGBFRQQNLTIJJ-UNXYVOJBSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000886623427 637614929 /nfs/dbraw/zinc/61/49/29/637614929.db2.gz DCMSTRBBRXRESH-RYUDHWBXSA-N 0 0 281.371 3.387 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C3CC3)no2)cc1 ZINC000852209987 637616999 /nfs/dbraw/zinc/61/69/99/637616999.db2.gz VRIOXHJNWLCOEV-UHFFFAOYSA-N 0 0 258.321 3.197 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1c([O-])cccc1F ZINC000886629655 637618326 /nfs/dbraw/zinc/61/83/26/637618326.db2.gz KSZUAROZKUJAMH-DTWKUNHWSA-N 0 0 261.287 3.473 20 10 CGCDRN CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886636114 637621210 /nfs/dbraw/zinc/62/12/10/637621210.db2.gz GKMPGFYQVGARAK-WCQYABFASA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccn1 ZINC000886634381 637621534 /nfs/dbraw/zinc/62/15/34/637621534.db2.gz CORVPURZGKRLCH-NEPJUHHUSA-N 0 0 274.339 3.381 20 10 CGCDRN CCC[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)OCC ZINC000886641819 637624990 /nfs/dbraw/zinc/62/49/90/637624990.db2.gz SNJMLLKFSYFEQH-NWDGAFQWSA-N 0 0 269.360 3.387 20 10 CGCDRN C[C@H]([NH2+]CCC1SCCS1)c1c([O-])cccc1F ZINC000886639590 637625161 /nfs/dbraw/zinc/62/51/61/637625161.db2.gz GTUDBYLOWRPNKW-VIFPVBQESA-N 0 0 287.425 3.378 20 10 CGCDRN Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886650638 637629682 /nfs/dbraw/zinc/62/96/82/637629682.db2.gz ZZFUVRDFGABYLE-MWLCHTKSSA-N 0 0 275.327 3.042 20 10 CGCDRN C[C@@H]([NH2+]CCOCCF)c1cccc(C(F)(F)F)c1[O-] ZINC000853238743 637790425 /nfs/dbraw/zinc/79/04/25/637790425.db2.gz PNQYBWVVIDXEGN-SECBINFHSA-N 0 0 295.276 3.048 20 10 CGCDRN Cc1nc(CN(C)Cc2ccccc2O)nc2ccccc12 ZINC000111235071 637804270 /nfs/dbraw/zinc/80/42/70/637804270.db2.gz VJPORRVEIYTWRY-UHFFFAOYSA-N 0 0 293.370 3.276 20 10 CGCDRN C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@H]1CC1(C)C ZINC000853626627 637875644 /nfs/dbraw/zinc/87/56/44/637875644.db2.gz BYHYXIQWRJVKDH-CYBMUJFWSA-N 0 0 270.376 3.418 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OCCOC(F)F)cc12 ZINC000853725216 637902494 /nfs/dbraw/zinc/90/24/94/637902494.db2.gz NILMVYACMROFFV-UHFFFAOYSA-N 0 0 269.291 3.413 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000854271880 638036129 /nfs/dbraw/zinc/03/61/29/638036129.db2.gz UASGFQJVTNEXMO-OAHLLOKOSA-N 0 0 286.419 3.339 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000855022937 638135200 /nfs/dbraw/zinc/13/52/00/638135200.db2.gz MYNUQQVUOMYRMO-ZWKOPEQDSA-N 0 0 279.767 3.098 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000114582137 638380793 /nfs/dbraw/zinc/38/07/93/638380793.db2.gz DDGPSKFDWHAHPI-GFCCVEGCSA-N 0 0 294.395 3.169 20 10 CGCDRN Cc1ccsc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280745 638515705 /nfs/dbraw/zinc/51/57/05/638515705.db2.gz YGGYMUJNFYTWBC-UHFFFAOYSA-N 0 0 288.416 3.361 20 10 CGCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1F ZINC000857547825 638516114 /nfs/dbraw/zinc/51/61/14/638516114.db2.gz VKVUCOJZKJXQGQ-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)OC(C)(C)C ZINC000115592756 638568708 /nfs/dbraw/zinc/56/87/08/638568708.db2.gz WEZDNVBPGSFCBK-UHFFFAOYSA-N 0 0 264.369 3.086 20 10 CGCDRN CCSCC[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858263124 638668477 /nfs/dbraw/zinc/66/84/77/638668477.db2.gz UMUSFQQJNDQILX-LBPRGKRZSA-N 0 0 296.436 3.032 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCC23CCC(CC2)C3)c1 ZINC000858324386 638682249 /nfs/dbraw/zinc/68/22/49/638682249.db2.gz XOIVKFCPLZRCEU-UHFFFAOYSA-N 0 0 288.391 3.080 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)C(C)C ZINC000858336916 638685368 /nfs/dbraw/zinc/68/53/68/638685368.db2.gz VDXMGXBDHMVSBI-UHFFFAOYSA-N 0 0 298.386 3.387 20 10 CGCDRN CCN(C)C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000858386086 638700411 /nfs/dbraw/zinc/70/04/11/638700411.db2.gz DUDQGXHGIQMPGX-UHFFFAOYSA-N 0 0 298.386 3.307 20 10 CGCDRN Nc1ccc(NC(=O)N2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000926141517 638721279 /nfs/dbraw/zinc/72/12/79/638721279.db2.gz FDMZNTNUWSPTIA-KDOFPFPSSA-N 0 0 293.370 3.074 20 10 CGCDRN COc1cc(N[C@H](C)c2cc(F)ccc2O)cnc1OC ZINC000858481804 638734927 /nfs/dbraw/zinc/73/49/27/638734927.db2.gz KQNUZERCVAIURS-SECBINFHSA-N 0 0 292.310 3.117 20 10 CGCDRN CC[C@H](Nc1cnn(CCF)c1)c1ccccc1O ZINC000858492314 638743059 /nfs/dbraw/zinc/74/30/59/638743059.db2.gz VWNZJGOJNOKBIF-ZDUSSCGKSA-N 0 0 263.316 3.121 20 10 CGCDRN C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1c([O-])cccc1F ZINC000926916966 638824893 /nfs/dbraw/zinc/82/48/93/638824893.db2.gz VQHPAVHOVMCBBN-DJSGYFEHSA-N 0 0 279.355 3.141 20 10 CGCDRN C[C@H](NCc1cc(C2CC2)n(C)n1)c1ccc(N(C)C)cc1 ZINC000927113942 638843677 /nfs/dbraw/zinc/84/36/77/638843677.db2.gz PVIWRPBNSZAQPH-ZDUSSCGKSA-N 0 0 298.434 3.214 20 10 CGCDRN CC(C)(C(=O)NCc1c(O)cccc1F)C1CCCC1 ZINC000928705251 638889185 /nfs/dbraw/zinc/88/91/85/638889185.db2.gz IJJWJEXIZNFLNL-UHFFFAOYSA-N 0 0 279.355 3.364 20 10 CGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCC=CCCC1 ZINC000928709927 638889746 /nfs/dbraw/zinc/88/97/46/638889746.db2.gz OAEKKWWYHXCTCQ-GFCCVEGCSA-N 0 0 277.339 3.284 20 10 CGCDRN Cc1ccccc1C[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC000859594368 639170632 /nfs/dbraw/zinc/17/06/32/639170632.db2.gz XUHUZLOYEPTVPJ-CQSZACIVSA-N 0 0 282.387 3.072 20 10 CGCDRN CC1(C)CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027060 639634628 /nfs/dbraw/zinc/63/46/28/639634628.db2.gz IEYXEEKSVBJHKH-CQSZACIVSA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@@H](NC(=O)[C@]1(C)C=CCC1)c1ccc(N(C)C)cc1 ZINC000935466494 639821019 /nfs/dbraw/zinc/82/10/19/639821019.db2.gz ZBORBMUHFKITNC-CXAGYDPISA-N 0 0 272.392 3.286 20 10 CGCDRN CCCC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000048995277 640078186 /nfs/dbraw/zinc/07/81/86/640078186.db2.gz OGVCNHZUESJQKX-UHFFFAOYSA-N 0 0 279.355 3.498 20 10 CGCDRN c1coc(-c2nnc(CSc3nccs3)o2)c1 ZINC000194355442 640528242 /nfs/dbraw/zinc/52/82/42/640528242.db2.gz PXVRTFOEARBQMS-UHFFFAOYSA-N 0 0 265.319 3.078 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2cccc3c2CCC3)cc1 ZINC000195646907 640592315 /nfs/dbraw/zinc/59/23/15/640592315.db2.gz XHPJRAAACYEFRH-UHFFFAOYSA-N 0 0 294.398 3.171 20 10 CGCDRN CC[C@@]1(C)CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093459020 640772000 /nfs/dbraw/zinc/77/20/00/640772000.db2.gz MWGVLJCJRXNSEN-INIZCTEOSA-N 0 0 263.381 3.413 20 10 CGCDRN Cc1ccc(O)c(CN(CC(=O)OC(C)(C)C)C(C)C)c1 ZINC000093692586 640779995 /nfs/dbraw/zinc/77/99/95/640779995.db2.gz HCGZPRKNEPNQAZ-UHFFFAOYSA-N 0 0 293.407 3.253 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000305775201 640904687 /nfs/dbraw/zinc/90/46/87/640904687.db2.gz JSLUCWZYFJAPTC-AWEZNQCLSA-N 0 0 295.741 3.008 20 10 CGCDRN Cc1cnc(N2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001155941718 805626587 /nfs/dbraw/zinc/62/65/87/805626587.db2.gz WRXPBHYSLSNXTL-UHFFFAOYSA-N 0 0 284.359 3.062 20 10 CGCDRN Oc1ccc(-c2nc3c([nH]2)c(F)cc(F)c3F)cc1O ZINC001250465053 805633983 /nfs/dbraw/zinc/63/39/83/805633983.db2.gz UYMRKRPJJIUKLF-UHFFFAOYSA-N 0 0 280.205 3.058 20 10 CGCDRN CCn1c2ccc(C)cc2nc1-c1cc(O)c(O)c(OC)c1 ZINC001250488494 805648929 /nfs/dbraw/zinc/64/89/29/805648929.db2.gz IXMQDWDWHRQJHT-UHFFFAOYSA-N 0 0 298.342 3.451 20 10 CGCDRN C/C(=C\C(=O)NCc1c(O)cccc1F)c1cccs1 ZINC001156170279 805661744 /nfs/dbraw/zinc/66/17/44/805661744.db2.gz JSIBLZDHOGLOEW-CSKARUKUSA-N 0 0 291.347 3.313 20 10 CGCDRN CC(C)=C[C@H]1[C@@H](C(=O)NCc2c(O)cccc2F)C1(C)C ZINC001156170730 805662109 /nfs/dbraw/zinc/66/21/09/805662109.db2.gz SWOQMYLZZPNXIJ-WFASDCNBSA-N 0 0 291.366 3.386 20 10 CGCDRN Cc1cc2[nH]c(-c3cc(O)c(O)c(O)c3)nc2cc1Cl ZINC001251248160 805870231 /nfs/dbraw/zinc/87/02/31/805870231.db2.gz BMKUNARBLDXKJC-UHFFFAOYSA-N 0 0 290.706 3.309 20 10 CGCDRN Oc1cc(-c2nc3c(cc(F)cc3Cl)[nH]2)cc(O)c1O ZINC001251248358 805871619 /nfs/dbraw/zinc/87/16/19/805871619.db2.gz NCGFHWVUXYFOSD-UHFFFAOYSA-N 0 0 294.669 3.139 20 10 CGCDRN Oc1ccc(CNc2ccc(-c3ccccc3)nn2)cc1O ZINC001158993962 806027432 /nfs/dbraw/zinc/02/74/32/806027432.db2.gz AHWZVDHCHZBRAZ-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN COC(=O)c1cc(C)ccc1Nc1ccc(N)cc1 ZINC001159636654 806136815 /nfs/dbraw/zinc/13/68/15/806136815.db2.gz PFKWWULGIXZEPM-UHFFFAOYSA-N 0 0 256.305 3.107 20 10 CGCDRN CNc1ccc(Nc2cc(F)ccc2C(=O)OC)cc1 ZINC001159828726 806181946 /nfs/dbraw/zinc/18/19/46/806181946.db2.gz JFTBWYORXMUZEO-UHFFFAOYSA-N 0 0 274.295 3.398 20 10 CGCDRN CCCCC[C@@H](O)CNc1ccccc1OCC ZINC001253543881 806245690 /nfs/dbraw/zinc/24/56/90/806245690.db2.gz HNOBSEDQRQRZQL-CYBMUJFWSA-N 0 0 251.370 3.438 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CCNC(=O)c1c(F)ccc(O)c1O ZINC001160796071 806305189 /nfs/dbraw/zinc/30/51/89/806305189.db2.gz WHVGTGGFHXTRCI-MNOVXSKESA-N 0 0 295.354 3.183 20 10 CGCDRN Cc1cc(C)c(CNc2nccc(C)c2F)c(O)c1 ZINC001160810156 806305457 /nfs/dbraw/zinc/30/54/57/806305457.db2.gz KTUKZUCOYZVYHB-UHFFFAOYSA-N 0 0 260.312 3.464 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(OC(F)F)cn2)c(O)c1 ZINC001160809954 806305547 /nfs/dbraw/zinc/30/55/47/806305547.db2.gz GGJGVHPXEZWSJO-UHFFFAOYSA-N 0 0 295.289 3.013 20 10 CGCDRN CC[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001257430045 807152477 /nfs/dbraw/zinc/15/24/77/807152477.db2.gz FFYJBKMAWTUYFT-SECBINFHSA-N 0 0 264.756 3.482 20 10 CGCDRN Nc1ccc(CNC(F)(F)Oc2ccc(Cl)nc2)cc1 ZINC001162784529 806665000 /nfs/dbraw/zinc/66/50/00/806665000.db2.gz QGQCZMMIJHJBCN-UHFFFAOYSA-N 0 0 299.708 3.036 20 10 CGCDRN Cc1cc(Cl)nc(C(F)(F)NCc2ccc(N)cc2)c1 ZINC001162785890 806665543 /nfs/dbraw/zinc/66/55/43/806665543.db2.gz NPPQJKBHRYZOQB-UHFFFAOYSA-N 0 0 297.736 3.465 20 10 CGCDRN Nc1ccc(CNc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC001162787972 806666227 /nfs/dbraw/zinc/66/62/27/806666227.db2.gz VPTXAVIQVLVKJF-UHFFFAOYSA-N 0 0 294.333 3.477 20 10 CGCDRN Nc1ccc(CNc2ccc3nccc(Cl)c3n2)cc1 ZINC001162787773 806666251 /nfs/dbraw/zinc/66/62/51/806666251.db2.gz PZEFMQQCTANXIJ-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN COC(=O)Nc1ccc(NCc2ccccc2O)cc1 ZINC000037092320 798859425 /nfs/dbraw/zinc/85/94/25/798859425.db2.gz NEOQNTQBVMSSFP-UHFFFAOYSA-N 0 0 272.304 3.183 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cccnc1 ZINC000037717818 798872653 /nfs/dbraw/zinc/87/26/53/798872653.db2.gz GLGNBTUNFAXPJV-UHFFFAOYSA-N 0 0 297.185 3.426 20 10 CGCDRN COCCN(c1ccc(OC)c(OC)c1)[C@@H]1C=CCCC1 ZINC000083212408 798938701 /nfs/dbraw/zinc/93/87/01/798938701.db2.gz PDFAJTXOUSCDHH-CQSZACIVSA-N 0 0 291.391 3.265 20 10 CGCDRN CSCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093509536 798965990 /nfs/dbraw/zinc/96/59/90/798965990.db2.gz DUQYIINLXLVYKO-UHFFFAOYSA-N 0 0 280.220 3.494 20 10 CGCDRN Oc1ccc(CNc2cnc(-c3ccccc3)nc2)cc1O ZINC000315902196 799239625 /nfs/dbraw/zinc/23/96/25/799239625.db2.gz QXIWXRDIWGTUQK-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN Nc1ccc(Cc2nc(CC3CCCCC3)no2)cc1 ZINC000379229959 799349205 /nfs/dbraw/zinc/34/92/05/799349205.db2.gz YWASBZMGHMPYKA-UHFFFAOYSA-N 0 0 271.364 3.365 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000381254597 799374507 /nfs/dbraw/zinc/37/45/07/799374507.db2.gz NLZYFHPPCHSVSK-LLVKDONJSA-N 0 0 290.190 3.310 20 10 CGCDRN O=c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c[nH]1 ZINC000392634894 799482517 /nfs/dbraw/zinc/48/25/17/799482517.db2.gz LUWWDRRTLDHHQP-UHFFFAOYSA-N 0 0 299.157 3.089 20 10 CGCDRN COc1cc(Cl)cc(CN2CCCC(F)(F)C2)c1O ZINC000404790443 799579292 /nfs/dbraw/zinc/57/92/92/799579292.db2.gz HCXRXCRKOVLXPK-UHFFFAOYSA-N 0 0 291.725 3.285 20 10 CGCDRN Cc1cccc(-c2noc(-c3cccc(O)c3O)n2)c1C ZINC000405095503 799581307 /nfs/dbraw/zinc/58/13/07/799581307.db2.gz XCVKDCSJKJPPMP-UHFFFAOYSA-N 0 0 282.299 3.432 20 10 CGCDRN CCOC(CCCNc1ccccc1NC)OCC ZINC001163490177 806769810 /nfs/dbraw/zinc/76/98/10/806769810.db2.gz VILUDWKCQZCHEO-UHFFFAOYSA-N 0 0 266.385 3.320 20 10 CGCDRN CC[C@]1(C)COCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000687973289 799742284 /nfs/dbraw/zinc/74/22/84/799742284.db2.gz KYRUXTAQTPSDTK-CQSZACIVSA-N 0 0 269.772 3.047 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000689747181 799767444 /nfs/dbraw/zinc/76/74/44/799767444.db2.gz IRNURQITURTWJM-UHFFFAOYSA-N 0 0 265.740 3.279 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCCCS2)ccc(F)c1F ZINC000703259303 799921344 /nfs/dbraw/zinc/92/13/44/799921344.db2.gz WBYLYVKBXYUKQL-JTQLQIEISA-N 0 0 273.348 3.046 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CCSC1 ZINC000704773635 799940251 /nfs/dbraw/zinc/94/02/51/799940251.db2.gz FFKCTUGQPJBAQN-JTQLQIEISA-N 0 0 271.813 3.278 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000704791469 799940893 /nfs/dbraw/zinc/94/08/93/799940893.db2.gz UVIIJNBVRCLKBX-QWRGUYRKSA-N 0 0 269.385 3.325 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000708383530 799987524 /nfs/dbraw/zinc/98/75/24/799987524.db2.gz MDBBHRYLRLAGIT-UHFFFAOYSA-N 0 0 295.251 3.445 20 10 CGCDRN CCOC1(C)CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708434800 799988026 /nfs/dbraw/zinc/98/80/26/799988026.db2.gz UNKSZUXSNSOAFP-UHFFFAOYSA-N 0 0 285.334 3.061 20 10 CGCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000710426339 800034725 /nfs/dbraw/zinc/03/47/25/800034725.db2.gz YYXNCWOZKZJOOR-GFCCVEGCSA-N 0 0 282.815 3.008 20 10 CGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1C=CCC1 ZINC000715817813 800147388 /nfs/dbraw/zinc/14/73/88/800147388.db2.gz JSVDQXROXOCKCN-JTQLQIEISA-N 0 0 286.144 3.102 20 10 CGCDRN CCC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716909163 800185003 /nfs/dbraw/zinc/18/50/03/800185003.db2.gz DCGIZEDKTDKOQV-LLVKDONJSA-N 0 0 292.206 3.340 20 10 CGCDRN CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716942553 800186929 /nfs/dbraw/zinc/18/69/29/800186929.db2.gz JOKREWMCRKNXCI-GZMMTYOYSA-N 0 0 292.206 3.338 20 10 CGCDRN Nc1ccc(NCc2nc3c(s2)CCCC3)cc1 ZINC000719558062 800241925 /nfs/dbraw/zinc/24/19/25/800241925.db2.gz XLYYAFXINYXXMI-UHFFFAOYSA-N 0 0 259.378 3.216 20 10 CGCDRN Cc1ccc(O)c(CNc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001163754172 806818808 /nfs/dbraw/zinc/81/88/08/806818808.db2.gz MRTCYCGPYDLYNY-UHFFFAOYSA-N 0 0 294.257 3.499 20 10 CGCDRN CNc1ccccc1NC[C@@H]1Cc2ccccc2O1 ZINC001163867377 806841308 /nfs/dbraw/zinc/84/13/08/806841308.db2.gz VKTYXUZVDUTGKE-ZDUSSCGKSA-N 0 0 254.333 3.144 20 10 CGCDRN CCN1CCN(Cc2c(O)cccc2OC)c2ccccc21 ZINC001116516706 802369457 /nfs/dbraw/zinc/36/94/57/802369457.db2.gz LMVNIOBBYOLMAE-UHFFFAOYSA-N 0 0 298.386 3.247 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC1CCC=CCC1 ZINC001119395133 802658832 /nfs/dbraw/zinc/65/88/32/802658832.db2.gz IQUXLCVSYHPYDE-UHFFFAOYSA-N 0 0 274.364 3.032 20 10 CGCDRN Nc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC001120268414 802737354 /nfs/dbraw/zinc/73/73/54/802737354.db2.gz DMEASZFZKZGPLN-LJQANCHMSA-N 0 0 296.414 3.102 20 10 CGCDRN C[C@@H](CN(C)C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001120591761 802750856 /nfs/dbraw/zinc/75/08/56/802750856.db2.gz IJLKRZWTOBMVIN-AWEZNQCLSA-N 0 0 297.402 3.214 20 10 CGCDRN Cc1ccc2c(c1)OCCN2C(=O)c1cccc2c1CCN2 ZINC001121960048 802853583 /nfs/dbraw/zinc/85/35/83/802853583.db2.gz PRLTYSPSHXJGHR-UHFFFAOYSA-N 0 0 294.354 3.002 20 10 CGCDRN Cc1ncc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC001122988217 802898763 /nfs/dbraw/zinc/89/87/63/802898763.db2.gz RHFAXXYKFUJKBH-UHFFFAOYSA-N 0 0 298.342 3.240 20 10 CGCDRN c1cc(N2CCSCC2)ccc1C1=CCCOC1 ZINC001245161056 803655787 /nfs/dbraw/zinc/65/57/87/803655787.db2.gz WXJPAHUGRQPKKV-UHFFFAOYSA-N 0 0 261.390 3.044 20 10 CGCDRN Cn1ccc2ncc(-c3cccc(Cl)c3N)cc21 ZINC001245183681 803659785 /nfs/dbraw/zinc/65/97/85/803659785.db2.gz GOANJSPNIVQPTG-UHFFFAOYSA-N 0 0 257.724 3.476 20 10 CGCDRN CCOC(=O)[C@@H](C)n1cc(-c2cccc3c2ccn3C)cn1 ZINC001245327010 803701308 /nfs/dbraw/zinc/70/13/08/803701308.db2.gz CFARQVLLIQDVAE-GFCCVEGCSA-N 0 0 297.358 3.166 20 10 CGCDRN CN(Cc1nc2ccccc2o1)Cc1c(O)cccc1F ZINC001137838633 803780254 /nfs/dbraw/zinc/78/02/54/803780254.db2.gz DNYPQKRZFXYLKJ-UHFFFAOYSA-N 0 0 286.306 3.305 20 10 CGCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001137837330 803780759 /nfs/dbraw/zinc/78/07/59/803780759.db2.gz BLINJMUMIKSZTN-CQSZACIVSA-N 0 0 286.350 3.133 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(O)c(F)c1F ZINC001212013984 814966975 /nfs/dbraw/zinc/96/69/75/814966975.db2.gz TUJZECATKGCQSV-UHFFFAOYSA-N 0 0 250.248 3.021 20 10 CGCDRN Cc1c(CN2CCC(F)(F)C2)c2ccccc2n1C ZINC001138252615 803880655 /nfs/dbraw/zinc/88/06/55/803880655.db2.gz NRIMJVYEOYHNTH-UHFFFAOYSA-N 0 0 264.319 3.328 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001139684533 804253241 /nfs/dbraw/zinc/25/32/41/804253241.db2.gz YFAYQJRZRSKAFL-LBPRGKRZSA-N 0 0 290.313 3.055 20 10 CGCDRN Cc1cc(O)cc(C)c1C[N@H+](C)Cc1ccccc1O ZINC001139716173 804264129 /nfs/dbraw/zinc/26/41/29/804264129.db2.gz RXGZQJILKLQCDD-UHFFFAOYSA-N 0 0 271.360 3.347 20 10 CGCDRN Oc1ccc(F)cc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001140056169 804363459 /nfs/dbraw/zinc/36/34/59/804363459.db2.gz KJFHDVYOIASOAH-UHFFFAOYSA-N 0 0 279.355 3.065 20 10 CGCDRN O=C1CCN(Cc2c(O)cccc2Cl)[C@@H]2CCCC[C@@H]12 ZINC001140337908 804417703 /nfs/dbraw/zinc/41/77/03/804417703.db2.gz MHVBGUDKYYMHPE-BXUZGUMPSA-N 0 0 293.794 3.379 20 10 CGCDRN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583248 804466259 /nfs/dbraw/zinc/46/62/59/804466259.db2.gz BCGHUSLTAZAFGK-AWEZNQCLSA-N 0 0 285.334 3.060 20 10 CGCDRN CC[C@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583788 804467963 /nfs/dbraw/zinc/46/79/63/804467963.db2.gz SMSAFJMJOXPDGA-JTQLQIEISA-N 0 0 255.308 3.292 20 10 CGCDRN CC[C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583789 804468383 /nfs/dbraw/zinc/46/83/83/804468383.db2.gz SMSAFJMJOXPDGA-SNVBAGLBSA-N 0 0 255.308 3.292 20 10 CGCDRN Cc1c(O)ccc(C[N@H+](C)Cc2ccsc2)c1O ZINC001140748476 804505063 /nfs/dbraw/zinc/50/50/63/804505063.db2.gz HLWMZRWEGLOJNH-UHFFFAOYSA-N 0 0 263.362 3.100 20 10 CGCDRN Oc1ccc(O)c(CN2CCCC[C@@H]2C(F)(F)F)c1 ZINC001141158728 804600254 /nfs/dbraw/zinc/60/02/54/804600254.db2.gz LFHLRARHXJWHDD-GFCCVEGCSA-N 0 0 275.270 3.015 20 10 CGCDRN CCc1cccc(N(C)C(=O)C2=CC(=O)CS2)c1 ZINC001141894182 804677866 /nfs/dbraw/zinc/67/78/66/804677866.db2.gz WWWFJMJEADFWKW-UHFFFAOYSA-N 0 0 261.346 3.293 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1CC1 ZINC001142682155 804756633 /nfs/dbraw/zinc/75/66/33/804756633.db2.gz XPQMAPUFDUJPRM-HNNXBMFYSA-N 0 0 273.376 3.159 20 10 CGCDRN COc1cc(F)cc(-c2noc(Cc3ccc(N)cc3)n2)c1 ZINC001248184469 804892569 /nfs/dbraw/zinc/89/25/69/804892569.db2.gz WFNAAEXHQFHGEM-UHFFFAOYSA-N 0 0 299.305 3.057 20 10 CGCDRN CC(=O)c1cccc(Nc2ccncc2C(F)(F)F)c1O ZINC001249594061 805185047 /nfs/dbraw/zinc/18/50/47/805185047.db2.gz VGHPDGIIIDDMIH-UHFFFAOYSA-N 0 0 296.248 3.174 20 10 CGCDRN COc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1F ZINC001151885674 805319319 /nfs/dbraw/zinc/31/93/19/805319319.db2.gz BPNFKEAYLSKLLG-SNVBAGLBSA-N 0 0 289.306 3.031 20 10 CGCDRN Cc1cccc(CC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001151891888 805321414 /nfs/dbraw/zinc/32/14/14/805321414.db2.gz DEIHJAPZYBUEIH-ZDUSSCGKSA-N 0 0 269.344 3.121 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(-c2ncc[nH]2)ccn1 ZINC001154888451 805504140 /nfs/dbraw/zinc/50/41/40/805504140.db2.gz CWERFQPNABJZOM-UHFFFAOYSA-N 0 0 294.358 3.204 20 10 CGCDRN C=C(OCC)c1ccc(N(CC)Cc2ccccc2O)nn1 ZINC001154889145 805504806 /nfs/dbraw/zinc/50/48/06/805504806.db2.gz QIGIFHHEJYIZGB-UHFFFAOYSA-N 0 0 299.374 3.216 20 10 CGCDRN CCCc1cncnc1N(CC)Cc1ccccc1O ZINC001154889706 805506008 /nfs/dbraw/zinc/50/60/08/805506008.db2.gz FPRZRLLXQQHWJA-UHFFFAOYSA-N 0 0 271.364 3.161 20 10 CGCDRN OCc1ccc(Nc2cccc(O)c2O)c(Cl)c1F ZINC001250298256 805550572 /nfs/dbraw/zinc/55/05/72/805550572.db2.gz MJJRJYDJPZSZPX-UHFFFAOYSA-N 0 0 283.686 3.126 20 10 CGCDRN CC(=O)Nc1ccc(Nc2ccc(N)cc2)cc1F ZINC001212706655 815109101 /nfs/dbraw/zinc/10/91/01/815109101.db2.gz UOFDYJMHFCYMSR-UHFFFAOYSA-N 0 0 259.284 3.110 20 10 CGCDRN COc1cccc(N)c1N[C@H]1CCCC(F)(F)C1 ZINC001169217745 807605648 /nfs/dbraw/zinc/60/56/48/807605648.db2.gz GYJVPLLVYJYWPI-VIFPVBQESA-N 0 0 256.296 3.267 20 10 CGCDRN CNc1ccccc1NCc1cccnc1N1CCCC1 ZINC001169859486 807716978 /nfs/dbraw/zinc/71/69/78/807716978.db2.gz IFGAFRFTTQEVQO-UHFFFAOYSA-N 0 0 282.391 3.336 20 10 CGCDRN O=C(CC(C1CC1)C1CC1)NCc1cccc(Cl)c1O ZINC001262350042 807851368 /nfs/dbraw/zinc/85/13/68/807851368.db2.gz HNGVIBXSTJMMQB-UHFFFAOYSA-N 0 0 293.794 3.488 20 10 CGCDRN Cc1cc(CNC(=O)CCF)c(C)n1-c1cccc(C)c1 ZINC001170859677 807923557 /nfs/dbraw/zinc/92/35/57/807923557.db2.gz XIMFHGPAJPQXHN-UHFFFAOYSA-N 0 0 288.366 3.378 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001264286986 808055426 /nfs/dbraw/zinc/05/54/26/808055426.db2.gz GAKZTJBCPRYXON-ZRDIBKRKSA-N 0 0 297.314 3.056 20 10 CGCDRN CCC[C@@H]1C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001271357605 808768680 /nfs/dbraw/zinc/76/86/80/808768680.db2.gz YBULFNRVRJYQHE-HTQZYQBOSA-N 0 0 279.727 3.251 20 10 CGCDRN Nc1ccc(N(CCO)c2ccc(F)c(Cl)c2F)cc1 ZINC001213203521 815254767 /nfs/dbraw/zinc/25/47/67/815254767.db2.gz SKTNKJMHXYOGGW-UHFFFAOYSA-N 0 0 298.720 3.331 20 10 CGCDRN Cc1cc(O)c(Nc2ccncc2F)cc1Br ZINC001175201382 809305793 /nfs/dbraw/zinc/30/57/93/809305793.db2.gz YWWFMQDYPCGORO-UHFFFAOYSA-N 0 0 297.127 3.163 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@]12C[C@@H]1CCCC2 ZINC001294868342 809477131 /nfs/dbraw/zinc/47/71/31/809477131.db2.gz DGZPNVLEWHQSLV-LIRRHRJNSA-N 0 0 299.414 3.468 20 10 CGCDRN COc1ccc(/C=C/C(=O)NCc2cc(C)ccc2O)cc1 ZINC001301046781 809577932 /nfs/dbraw/zinc/57/79/32/809577932.db2.gz KOMUBOYXLILNNR-UXBLZVDNSA-N 0 0 297.354 3.039 20 10 CGCDRN Nc1ccc(N(c2ncc[nH]2)c2ccc(N)cc2)cc1 ZINC001176085792 809620572 /nfs/dbraw/zinc/62/05/72/809620572.db2.gz ZMIIYDYZUGIQPG-UHFFFAOYSA-N 0 0 265.320 3.044 20 10 CGCDRN Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)n1C ZINC001179028837 809900799 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ZINC001233331976 818581914 /nfs/dbraw/zinc/58/19/14/818581914.db2.gz SEVRFJSPBONKAY-UHFFFAOYSA-N 0 0 255.308 3.435 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CC2)CC1 ZINC001233332554 818587013 /nfs/dbraw/zinc/58/70/13/818587013.db2.gz PCGPLIWMJJEDGV-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CC2CCC(CC2)C1 ZINC001233336007 818588263 /nfs/dbraw/zinc/58/82/63/818588263.db2.gz UZTFMKGLYUPLIY-UHFFFAOYSA-N 0 0 267.319 3.292 20 10 CGCDRN Oc1c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cccc1C(F)(F)F ZINC001233416450 818615385 /nfs/dbraw/zinc/61/53/85/818615385.db2.gz IKAWALSICTUHCO-NHCYSSNCSA-N 0 0 289.272 3.201 20 10 CGCDRN Oc1cc(C(F)(F)F)ccc1CN1CC(F)(C2CC2)C1 ZINC001233452121 818623825 /nfs/dbraw/zinc/62/38/25/818623825.db2.gz LKDPYQXAZPPSLO-UHFFFAOYSA-N 0 0 289.272 3.345 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCc2ccccc21 ZINC001234474124 818862442 /nfs/dbraw/zinc/86/24/42/818862442.db2.gz OCDWFQXMYIWAGA-MRXNPFEDSA-N 0 0 284.311 3.367 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)Cc1ccccc1 ZINC001234473850 818863209 /nfs/dbraw/zinc/86/32/09/818863209.db2.gz KQKZWFUCCSLICM-LLVKDONJSA-N 0 0 286.327 3.310 20 10 CGCDRN CCCC(=O)[C@H](CCC)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473052 818863342 /nfs/dbraw/zinc/86/33/42/818863342.db2.gz AOYKAOSGENWOAL-HNNXBMFYSA-N 0 0 294.347 3.217 20 10 CGCDRN Oc1c(CN2CCO[C@@H]3C[C@@H]32)cccc1-c1ccccc1 ZINC001234999281 818974227 /nfs/dbraw/zinc/97/42/27/818974227.db2.gz RKFCMMNGJXJFSJ-DLBZAZTESA-N 0 0 281.355 3.032 20 10 CGCDRN CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681157 819140389 /nfs/dbraw/zinc/14/03/89/819140389.db2.gz YVJQDLWZYDPULF-AWEZNQCLSA-N 0 0 289.419 3.491 20 10 CGCDRN CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC001235680631 819140471 /nfs/dbraw/zinc/14/04/71/819140471.db2.gz WGKULSRXOGIEKB-WMLDXEAASA-N 0 0 289.419 3.301 20 10 CGCDRN CCN(c1ccccc1)c1cc(-c2cncc(O)c2)ncn1 ZINC001236578823 819542326 /nfs/dbraw/zinc/54/23/26/819542326.db2.gz UJBIIFPMQPWMIK-UHFFFAOYSA-N 0 0 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ZINC001312300314 933352695 /nfs/dbraw/zinc/35/26/95/933352695.db2.gz WJNVXLSERSZSPP-GWCFXTLKSA-N 0 0 296.798 3.424 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1nccc2ccsc21 ZINC001465844960 937703772 /nfs/dbraw/zinc/70/37/72/937703772.db2.gz ZPTNERDMUBFPJC-UHFFFAOYSA-N 0 0 298.367 3.274 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC001467969297 937723412 /nfs/dbraw/zinc/72/34/12/937723412.db2.gz VYTURYFQZUXIIF-ZDUSSCGKSA-N 0 0 291.439 3.377 20 10 CGCDRN FC1=CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001320343006 934033254 /nfs/dbraw/zinc/03/32/54/934033254.db2.gz NUELFKOFNSVCJF-UHFFFAOYSA-N 0 0 260.356 3.346 20 10 CGCDRN Cc1cc(C)cc(CNC(=O)C2=CC(=O)CS2)c1 ZINC001470422961 937752738 /nfs/dbraw/zinc/75/27/38/937752738.db2.gz VPNFLTNPWKLQKT-UHFFFAOYSA-N 0 0 261.346 3.001 20 10 CGCDRN O=C(c1ccc2ccccc2n1)N1Cc2cccc(O)c2C1 ZINC001471355627 937764730 /nfs/dbraw/zinc/76/47/30/937764730.db2.gz OCXNEQGWBQJUJP-UHFFFAOYSA-N 0 0 290.322 3.096 20 10 CGCDRN O=C(c1cc(Cl)ccc1F)N1Cc2cccc(O)c2C1 ZINC001471355788 937764790 /nfs/dbraw/zinc/76/47/90/937764790.db2.gz VIMLIWHIZRNHJQ-UHFFFAOYSA-N 0 0 291.709 3.341 20 10 CGCDRN O=[N+]([O-])c1cnc(SC[C@H]2CC2(Cl)Cl)s1 ZINC001472663712 937779738 /nfs/dbraw/zinc/77/97/38/937779738.db2.gz KXUSJFPRPCTJSD-SCSAIBSYSA-N 0 0 285.177 3.337 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001326613455 934993920 /nfs/dbraw/zinc/99/39/20/934993920.db2.gz HTVDYTKNVKKSQH-GHMZBOCLSA-N 0 0 257.736 3.416 20 10 CGCDRN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC001328310695 935130131 /nfs/dbraw/zinc/13/01/31/935130131.db2.gz XQJWOVFAYQHCAM-JGVFFNPUSA-N 0 0 293.310 3.257 20 10 CGCDRN CCC[C@H](CC)NC(=O)NCc1cc(C)ccc1O ZINC001331060427 935346246 /nfs/dbraw/zinc/34/62/46/935346246.db2.gz XTZISVSDVVBTGL-ZDUSSCGKSA-N 0 0 264.369 3.079 20 10 CGCDRN C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1c([O-])cccc1F ZINC001333464788 935537877 /nfs/dbraw/zinc/53/78/77/935537877.db2.gz BJIUBSRUGAZJIN-BGQFSCJGSA-N 0 0 271.282 3.370 20 10 CGCDRN COc1ccc(C[N@H+](C)[C@H](C)c2ccco2)c(O)c1OC ZINC001336672893 936205281 /nfs/dbraw/zinc/20/52/81/936205281.db2.gz JTCJIOMFTMGOON-LLVKDONJSA-N 0 0 291.347 3.195 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001337014608 936231728 /nfs/dbraw/zinc/23/17/28/936231728.db2.gz BENVRHCEEBBXDQ-IJEWVQPXSA-N 0 0 287.407 3.037 20 10 CGCDRN CC(C)C1(C)CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337069990 936235528 /nfs/dbraw/zinc/23/55/28/936235528.db2.gz FPHWODBLUFYFTA-UHFFFAOYSA-N 0 0 289.423 3.237 20 10 CGCDRN COc1cc(C)cc(CN(C)c2ccccc2)c1O ZINC001474408455 937858052 /nfs/dbraw/zinc/85/80/52/937858052.db2.gz FMQVIJFLKQMRKI-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cnn(C)c1C1CC1 ZINC001474428706 937859203 /nfs/dbraw/zinc/85/92/03/937859203.db2.gz NZIFSUQBKVPFLW-UHFFFAOYSA-N 0 0 297.402 3.259 20 10 CGCDRN COc1cc(C)cc(CNc2cccc3nccnc32)c1O ZINC001474674925 937874350 /nfs/dbraw/zinc/87/43/50/937874350.db2.gz KXUWTJUXKWNEEM-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCOCC23CCCC3)ccc(F)c1F ZINC001474755248 937879368 /nfs/dbraw/zinc/87/93/68/937879368.db2.gz OTQMHAAWTIASGA-ZDUSSCGKSA-N 0 0 297.345 3.109 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC2(C)C)c1 ZINC001478695176 937909085 /nfs/dbraw/zinc/90/90/85/937909085.db2.gz FUHOXENYPIMBJQ-AWEZNQCLSA-N 0 0 290.407 3.326 20 10 CGCDRN Cc1ccc(C(C)(C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001521852661 938034814 /nfs/dbraw/zinc/03/48/14/938034814.db2.gz YOCLJMRNPZRIPG-UHFFFAOYSA-N 0 0 299.370 3.000 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cnn(C)c1)CC[C@H]2C ZINC001526673380 938057320 /nfs/dbraw/zinc/05/73/20/938057320.db2.gz TZISREKZHBYUMN-SBDDDAINSA-N 0 0 295.386 3.282 20 10 CGCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1cccc(F)c1 ZINC001534519293 938096602 /nfs/dbraw/zinc/09/66/02/938096602.db2.gz TWOARODNRCGAJT-FMIVXFBMSA-N 0 0 285.322 3.072 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCSc2ccncc21 ZINC001540067522 938127795 /nfs/dbraw/zinc/12/77/95/938127795.db2.gz JBABAJHIMSCZNS-FMIVXFBMSA-N 0 0 297.383 3.019 20 10 CGCDRN CC(C)(NC(=O)C1=CC(=O)CS1)c1ccccc1F ZINC001556798619 938205679 /nfs/dbraw/zinc/20/56/79/938205679.db2.gz FORXHJBELVOOJP-UHFFFAOYSA-N 0 0 279.336 3.258 20 10 CGCDRN CCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1CC ZINC001558175590 938214011 /nfs/dbraw/zinc/21/40/11/938214011.db2.gz WUPVGYLWTNVNHJ-UHFFFAOYSA-N 0 0 299.370 3.153 20 10 CGCDRN C/C(=C\C(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001558454221 938215510 /nfs/dbraw/zinc/21/55/10/938215510.db2.gz BVYMQLVGVHHUNX-ZRDIBKRKSA-N 0 0 285.318 3.251 20 10 CGCDRN Cc1ccc(O)c(CNc2sccc2[N+](=O)[O-])c1 ZINC001559240385 938223294 /nfs/dbraw/zinc/22/32/94/938223294.db2.gz NRETUMSXTNTHLZ-UHFFFAOYSA-N 0 0 264.306 3.282 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC001560413840 938257594 /nfs/dbraw/zinc/25/75/94/938257594.db2.gz XEYNTEYXDZSELF-LBPRGKRZSA-N 0 0 287.762 3.234 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1c(Cl)ccnc1F ZINC001560703078 938271265 /nfs/dbraw/zinc/27/12/65/938271265.db2.gz AOUDMRGDDXDZFA-UHFFFAOYSA-N 0 0 292.741 3.445 20 10 CGCDRN Cc1cc(O)c(CN2CCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC001560708042 938271464 /nfs/dbraw/zinc/27/14/64/938271464.db2.gz AILIAFISLNFZNY-OAHLLOKOSA-N 0 0 283.799 3.211 20 10 CGCDRN CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(F)c(F)cc1O ZINC001560919662 938284009 /nfs/dbraw/zinc/28/40/09/938284009.db2.gz KGLONKBCVYABGB-NEPJUHHUSA-N 0 0 285.334 3.060 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)c(F)cc1[O-])CC(F)F ZINC001560988514 938288238 /nfs/dbraw/zinc/28/82/38/938288238.db2.gz DVYYMUHEGGZYOX-UHFFFAOYSA-N 0 0 279.277 3.441 20 10 CGCDRN COCc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001562127554 938297867 /nfs/dbraw/zinc/29/78/67/938297867.db2.gz QNYCHYYDVRVDCO-UHFFFAOYSA-N 0 0 298.342 3.086 20 10 CGCDRN O=C([O-])CCC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001601977991 971103204 /nfs/dbraw/zinc/10/32/04/971103204.db2.gz BXKWUCDTKUNLIO-UHFFFAOYSA-N 0 0 297.782 3.122 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001603106678 972180217 /nfs/dbraw/zinc/18/02/17/972180217.db2.gz BRFJSVUYTQIWRW-WFASDCNBSA-N 0 0 291.391 3.058 20 10 CGCDRN Cc1ccc([C@@H](C)C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001144454611 957876066 /nfs/dbraw/zinc/87/60/66/957876066.db2.gz ZXRSRIJTHNRYPT-CQSZACIVSA-N 0 0 295.382 3.389 20 10 CGCDRN Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135046961 958881129 /nfs/dbraw/zinc/88/11/29/958881129.db2.gz KPMZJTNWKNPSCK-AWEZNQCLSA-N 0 0 291.391 3.023 20 10 CGCDRN CCCCCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595712051 960539329 /nfs/dbraw/zinc/53/93/29/960539329.db2.gz GLRKWDZRDWOYCU-NSHDSACASA-N 0 0 265.353 3.321 20 10 CGCDRN CCC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001565580527 960792025 /nfs/dbraw/zinc/79/20/25/960792025.db2.gz ZQVBFTSATCYBQG-UONOGXRCSA-N 0 0 291.391 3.115 20 10 CGCDRN COc1cc(C)c(C)cc1NC(=O)NCc1ccc(N)cc1 ZINC001579145382 962611469 /nfs/dbraw/zinc/61/14/69/962611469.db2.gz ZTVOQGNUILGBJY-UHFFFAOYSA-N 0 0 299.374 3.216 20 10 CGCDRN COc1cccc2c1CC[C@H]2OC(=O)Cc1ccc(N)cc1 ZINC001579290939 962621896 /nfs/dbraw/zinc/62/18/96/962621896.db2.gz OUDOAFDYVOUQOF-QGZVFWFLSA-N 0 0 297.354 3.051 20 10 CGCDRN Cc1cc(C(=O)Oc2ccc(N)cc2)c(F)cc1F ZINC001579567203 962640927 /nfs/dbraw/zinc/64/09/27/962640927.db2.gz CVCCBLRFUTZDLK-UHFFFAOYSA-N 0 0 263.243 3.075 20 10 CGCDRN Cc1ccccc1N(C)C(=O)c1cccc2c1CCN2 ZINC001579805602 962680774 /nfs/dbraw/zinc/68/07/74/962680774.db2.gz WZTZOYZOEXNMGK-UHFFFAOYSA-N 0 0 266.344 3.240 20 10 CGCDRN C/C(=C(/F)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC001583751862 962854765 /nfs/dbraw/zinc/85/47/65/962854765.db2.gz INTQDGQPLVJSNQ-GDNBJRDFSA-N 0 0 294.345 3.161 20 10 CGCDRN COc1ccccc1N(C)C(=O)/C=C/c1cccnc1C ZINC001585669642 963034706 /nfs/dbraw/zinc/03/47/06/963034706.db2.gz XLNIUFHBSKQUJE-ZHACJKMWSA-N 0 0 282.343 3.075 20 10 CGCDRN Cc1cnc(Cl)c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001587451276 963195440 /nfs/dbraw/zinc/19/54/40/963195440.db2.gz OJESVBCROUSFJH-JTQLQIEISA-N 0 0 290.750 3.240 20 10 CGCDRN CC1(C(=O)[O-])CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001603306741 972585999 /nfs/dbraw/zinc/58/59/99/972585999.db2.gz GYQHIQHIZSYIRE-UHFFFAOYSA-N 0 0 299.370 3.232 20 10 CGCDRN CC[C@@H]1CC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001595467926 981157031 /nfs/dbraw/zinc/15/70/31/981157031.db2.gz JJURJNQYECKESD-GFCCVEGCSA-N 0 0 285.343 3.228 20 10 CGCDRN CCCCC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC001595683142 982169637 /nfs/dbraw/zinc/16/96/37/982169637.db2.gz KCUJKADCTLGGJT-GFCCVEGCSA-N 0 0 285.771 3.169 20 10 CGCDRN CC(C)C[C@H](C[NH2+]Cc1cc(C(C)C)ccc1O)C(=O)[O-] ZINC001591159897 991904345 /nfs/dbraw/zinc/90/43/45/991904345.db2.gz DUWCNTYVBUXGDA-OAHLLOKOSA-N 0 0 293.407 3.352 20 10 CGCDRN CCc1ncnc(NCc2ccc(N(C)C)cc2C)c1F ZINC000302005870 529762206 /nfs/dbraw/zinc/76/22/06/529762206.db2.gz SZNXLCZYBPWZLM-UHFFFAOYSA-N 0 0 288.370 3.165 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC=CCC1 ZINC000028330793 344913789 /nfs/dbraw/zinc/91/37/89/344913789.db2.gz JTTUZBUVTLXDLY-MRXNPFEDSA-N 0 0 284.403 3.259 20 10 CGCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000043306454 344996811 /nfs/dbraw/zinc/99/68/11/344996811.db2.gz GEEOTQBORNCRAS-CQSZACIVSA-N 0 0 298.386 3.337 20 10 CGCDRN COC(=O)c1ccc(/C=C/c2ccc(N(C)C)cc2)nc1 ZINC000053107812 345115000 /nfs/dbraw/zinc/11/50/00/345115000.db2.gz ZWMAGZWEJAFYMU-XBXARRHUSA-N 0 0 282.343 3.105 20 10 CGCDRN FC(F)(F)c1ccnc(Sc2nccs2)n1 ZINC000064915992 345266428 /nfs/dbraw/zinc/26/64/28/345266428.db2.gz QNHDGNYHBMLZKF-UHFFFAOYSA-N 0 0 263.269 3.103 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273513172 299378785 /nfs/dbraw/zinc/37/87/85/299378785.db2.gz SEABKXICHDGVCR-OUJBWJOFSA-N 0 0 264.325 3.140 20 10 CGCDRN C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)c(F)c1[O-] ZINC000277158264 296113164 /nfs/dbraw/zinc/11/31/64/296113164.db2.gz QRNJUUANTSJRMD-ZCFIWIBFSA-N 0 0 263.234 3.119 20 10 CGCDRN Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)c1ccccc1 ZINC000014205964 368677837 /nfs/dbraw/zinc/67/78/37/368677837.db2.gz HCUPWZXMRUENTE-MDZDMXLPSA-N 0 0 289.766 3.058 20 10 CGCDRN CN(CC[NH2+]Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000124799501 370927766 /nfs/dbraw/zinc/92/77/66/370927766.db2.gz NVZOSWKPXXNJMY-UHFFFAOYSA-N 0 0 282.815 3.010 20 10 CGCDRN CCN(C(=O)/C=C\c1scnc1C)c1cccnc1C ZINC000493014752 244077025 /nfs/dbraw/zinc/07/70/25/244077025.db2.gz IORMHQDZGXGKGQ-FPLPWBNLSA-N 0 0 287.388 3.221 20 10 CGCDRN CCOC(C)(C)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000287311893 371637894 /nfs/dbraw/zinc/63/78/94/371637894.db2.gz FBONOTQDWPRNEQ-CYBMUJFWSA-N 0 0 269.360 3.387 20 10 CGCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000287313025 371639290 /nfs/dbraw/zinc/63/92/90/371639290.db2.gz LKDABDACJCJETJ-SFYZADRCSA-N 0 0 263.259 3.002 20 10 CGCDRN CC[C@H]([NH2+]CCc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287800948 371708560 /nfs/dbraw/zinc/70/85/60/371708560.db2.gz UCQPLJKIFMKRKE-AWEZNQCLSA-N 0 0 293.798 3.063 20 10 CGCDRN CC[C@](C)(NCc1ccc2c(c1)CCO2)c1nccs1 ZINC000152643412 371710997 /nfs/dbraw/zinc/71/09/97/371710997.db2.gz NZVABPKEEHPOOM-INIZCTEOSA-N 0 0 288.416 3.493 20 10 CGCDRN Cc1cc(Cn2cnc3c2CCCC3)ccc1N(C)C ZINC000296765562 373240055 /nfs/dbraw/zinc/24/00/55/373240055.db2.gz PLHKVBOLQXBCHL-UHFFFAOYSA-N 0 0 269.392 3.185 20 10 CGCDRN CC(C)(CCNC(=O)NCc1ccccc1O)C1CC1 ZINC000297062450 373256827 /nfs/dbraw/zinc/25/68/27/373256827.db2.gz YCWMVIJUFHGOBH-UHFFFAOYSA-N 0 0 276.380 3.018 20 10 CGCDRN CN(C)c1ccc(CNCC(F)F)c(C(F)(F)F)c1 ZINC000298187125 373291427 /nfs/dbraw/zinc/29/14/27/373291427.db2.gz WLSSZMMOPPNFNR-UHFFFAOYSA-N 0 0 282.256 3.126 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nc(C)nc(C)c1C ZINC000301671399 373797288 /nfs/dbraw/zinc/79/72/88/373797288.db2.gz FMFUZDNEOATKCC-UHFFFAOYSA-N 0 0 284.407 3.388 20 10 CGCDRN CN(Cc1ccccc1O)c1ccc(C(F)(F)F)cn1 ZINC000302675878 373924327 /nfs/dbraw/zinc/92/43/27/373924327.db2.gz UKOJLSNUGXLKEG-UHFFFAOYSA-N 0 0 282.265 3.442 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1=CCCCC1 ZINC000180600511 374025982 /nfs/dbraw/zinc/02/59/82/374025982.db2.gz QSGMUIOCXQINSW-VQHVLOKHSA-N 0 0 287.359 3.118 20 10 CGCDRN COc1ccc(N(C)Cc2c[nH]nc2C)cc1Cl ZINC000180770736 374044873 /nfs/dbraw/zinc/04/48/73/374044873.db2.gz OHJUBBRVQWMLGB-UHFFFAOYSA-N 0 0 265.744 3.017 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)c(F)c1[O-] ZINC000187786648 375095264 /nfs/dbraw/zinc/09/52/64/375095264.db2.gz ZGBGVZQZIHZFSB-NXEZZACHSA-N 0 0 253.292 3.430 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187805098 375097891 /nfs/dbraw/zinc/09/78/91/375097891.db2.gz NFLDOLYLMQJXOE-SNVBAGLBSA-N 0 0 287.350 3.120 20 10 CGCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ncccc1C ZINC000492612565 375447473 /nfs/dbraw/zinc/44/74/73/375447473.db2.gz BCVMRXXDVXAQCW-BQYQJAHWSA-N 0 0 287.388 3.221 20 10 CGCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccco1 ZINC000529511706 375927180 /nfs/dbraw/zinc/92/71/80/375927180.db2.gz KJGCMTSJXYLUTP-SNVBAGLBSA-N 0 0 293.750 3.449 20 10 CGCDRN CCN(Cc1nc(C)cs1)c1ccc(OC)c(OC)c1 ZINC000268619795 378081856 /nfs/dbraw/zinc/08/18/56/378081856.db2.gz BECFHCPJYVJYCY-UHFFFAOYSA-N 0 0 292.404 3.495 20 10 CGCDRN CC(C)(C(=O)NCc1ccccc1O)c1cccs1 ZINC000269134518 378190841 /nfs/dbraw/zinc/19/08/41/378190841.db2.gz JOFJEDJNUSWRCF-UHFFFAOYSA-N 0 0 275.373 3.048 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C3CC3)o2)c(OC)c1 ZINC000270564208 378369615 /nfs/dbraw/zinc/36/96/15/378369615.db2.gz YILAJYRLVXGZIO-UHFFFAOYSA-N 0 0 288.347 3.206 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ncc(C2CC2)o1 ZINC000271748997 378503182 /nfs/dbraw/zinc/50/31/82/378503182.db2.gz YDIMQBZPMXTJLK-UHFFFAOYSA-N 0 0 299.374 3.017 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c(O)c1C ZINC000273382745 378744321 /nfs/dbraw/zinc/74/43/21/378744321.db2.gz IPLWUSASIAAKMG-BBRMVZONSA-N 0 0 299.418 3.471 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccnc1 ZINC000348555904 378992571 /nfs/dbraw/zinc/99/25/71/378992571.db2.gz XHFYGSRGKQDRTQ-UHFFFAOYSA-N 0 0 294.358 3.203 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[C@H](C)C1 ZINC000349923292 379449510 /nfs/dbraw/zinc/44/95/10/379449510.db2.gz VZNMIZQJBUBALD-JSGCOSHPSA-N 0 0 299.418 3.475 20 10 CGCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281275350 379827974 /nfs/dbraw/zinc/82/79/74/379827974.db2.gz YUBOCWSLLVDZAS-SECBINFHSA-N 0 0 259.271 3.056 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cscn1 ZINC000282531336 379939956 /nfs/dbraw/zinc/93/99/56/379939956.db2.gz QKICNJOIMVMESZ-UHFFFAOYSA-N 0 0 290.388 3.291 20 10 CGCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284297282 380138227 /nfs/dbraw/zinc/13/82/27/380138227.db2.gz YLYLPNBUVKZWOK-CORIIIEPSA-N 0 0 265.397 3.067 20 10 CGCDRN CC[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(F)cc1[O-] ZINC000286181044 380170840 /nfs/dbraw/zinc/17/08/40/380170840.db2.gz QUTUHBWREMCJDI-AWEZNQCLSA-N 0 0 283.387 3.371 20 10 CGCDRN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccn(C)n1 ZINC000414150639 380193679 /nfs/dbraw/zinc/19/36/79/380193679.db2.gz PHNQWJNZTOYVRB-CYBMUJFWSA-N 0 0 282.391 3.071 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285537205 380150446 /nfs/dbraw/zinc/15/04/46/380150446.db2.gz BXTNBWAJRZNJMF-RBOXIYTFSA-N 0 0 292.398 3.197 20 10 CGCDRN CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285537199 380150769 /nfs/dbraw/zinc/15/07/69/380150769.db2.gz BXTNBWAJRZNJMF-FFSVYQOJSA-N 0 0 292.398 3.197 20 10 CGCDRN CN(CCC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000121499004 392413042 /nfs/dbraw/zinc/41/30/42/392413042.db2.gz LHQNPGGLGKJOFT-UHFFFAOYSA-N 0 0 299.418 3.004 20 10 CGCDRN C[N@H+](CCc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000120813735 392403313 /nfs/dbraw/zinc/40/33/13/392403313.db2.gz KGZQJZDUPLEDCO-UHFFFAOYSA-N 0 0 276.767 3.115 20 10 CGCDRN COc1cc(Sc2nccs2)c([N+](=O)[O-])cc1OC ZINC000301909117 392601918 /nfs/dbraw/zinc/60/19/18/392601918.db2.gz FJTIXCNZDNAHPY-UHFFFAOYSA-N 0 0 298.345 3.220 20 10 CGCDRN Cc1ccc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)c(O)c1O ZINC000179525197 392702338 /nfs/dbraw/zinc/70/23/38/392702338.db2.gz ULYPMOXAUXGEAU-WFASDCNBSA-N 0 0 297.354 3.239 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000293704964 292013939 /nfs/dbraw/zinc/01/39/39/292013939.db2.gz MKQKTFLPYOBFTA-NSHDSACASA-N 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ZINC000743224670 572642700 /nfs/dbraw/zinc/64/27/00/572642700.db2.gz LLXTYRUGGJKNSP-UHFFFAOYSA-N 0 0 291.376 3.075 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)n1cccc1 ZINC000734558852 572666129 /nfs/dbraw/zinc/66/61/29/572666129.db2.gz ZDJXJURKJRZPNW-OAHLLOKOSA-N 0 0 299.418 3.130 20 10 CGCDRN O=C(OCc1ccc2c(c1)CCC2)C1=CC(=O)CS1 ZINC000734587417 572668762 /nfs/dbraw/zinc/66/87/62/572668762.db2.gz RLYMRBISYYVTHK-UHFFFAOYSA-N 0 0 274.341 3.299 20 10 CGCDRN CC1(C)CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000743553422 572670809 /nfs/dbraw/zinc/67/08/09/572670809.db2.gz KWPSPRAEBIDYJV-UHFFFAOYSA-N 0 0 253.367 3.152 20 10 CGCDRN Cc1cccnc1[C@@H](NC(=O)C1=CC(=O)CS1)C(C)C ZINC000743588579 572672795 /nfs/dbraw/zinc/67/27/95/572672795.db2.gz DATFNFWNTMGPPV-ZDUSSCGKSA-N 0 0 290.388 3.284 20 10 CGCDRN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1=CC(=O)CS1 ZINC000743712525 572680144 /nfs/dbraw/zinc/68/01/44/572680144.db2.gz ROVKWOZMFIJRAQ-HBNTYKKESA-N 0 0 265.378 3.152 20 10 CGCDRN CCC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1O ZINC000737020164 572839988 /nfs/dbraw/zinc/83/99/88/572839988.db2.gz SDRBIFYWCXITID-UHFFFAOYSA-N 0 0 289.331 3.096 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1ccc(C)cn1 ZINC000746356418 572867570 /nfs/dbraw/zinc/86/75/70/572867570.db2.gz RIQIEHOMDNEXGX-UHFFFAOYSA-N 0 0 268.360 3.351 20 10 CGCDRN CC1=C(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000746768203 572895937 /nfs/dbraw/zinc/89/59/37/572895937.db2.gz JWTIVADESGQSHV-UHFFFAOYSA-N 0 0 272.392 3.211 20 10 CGCDRN Fc1cccc(CNC(=S)Nc2ccccc2Cl)n1 ZINC000747721070 572942689 /nfs/dbraw/zinc/94/26/89/572942689.db2.gz KVDKRKIOMJKGRU-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN Oc1ccccc1CNC(=S)Nc1ccc(F)cc1 ZINC000748157016 572964095 /nfs/dbraw/zinc/96/40/95/572964095.db2.gz IKMKRGSYVPWNOR-UHFFFAOYSA-N 0 0 276.336 3.018 20 10 CGCDRN CC(C)Cc1ccc(CC(=O)NCc2ccccc2O)cc1 ZINC000748349193 572974696 /nfs/dbraw/zinc/97/46/96/572974696.db2.gz BPBVANSBNZZGAI-UHFFFAOYSA-N 0 0 297.398 3.450 20 10 CGCDRN C[C@H]1CCC[C@H](C)C1NC(=O)C1=CC(=O)CS1 ZINC000748419864 572976418 /nfs/dbraw/zinc/97/64/18/572976418.db2.gz RPTAZWVUDJWEKD-IUCAKERBSA-N 0 0 253.367 3.008 20 10 CGCDRN CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000748460782 572978158 /nfs/dbraw/zinc/97/81/58/572978158.db2.gz QTKRGBWYGDUMQV-GXTWGEPZSA-N 0 0 276.380 3.160 20 10 CGCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)[C@H]2CCCC[C@@H]12 ZINC000749542453 573018884 /nfs/dbraw/zinc/01/88/84/573018884.db2.gz HIZAESPBPLGXRZ-WXHSDQCUSA-N 0 0 279.405 3.495 20 10 CGCDRN CC[C@H](C)NC(=S)NCc1ccc(N2CCCC2)cc1 ZINC000749760202 573032103 /nfs/dbraw/zinc/03/21/03/573032103.db2.gz KIMAVNWJHLEETP-ZDUSSCGKSA-N 0 0 291.464 3.049 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccn1 ZINC000019916782 634377510 /nfs/dbraw/zinc/37/75/10/634377510.db2.gz YJNUFDFJODLHDD-UHFFFAOYSA-N 0 0 297.185 3.426 20 10 CGCDRN C/C(=C\C[N@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000825729818 601166666 /nfs/dbraw/zinc/16/66/66/601166666.db2.gz NCGUUXGFJVYNOC-JLHYYAGUSA-N 0 0 289.375 3.168 20 10 CGCDRN Cc1cc(O)c(C[NH2+]C2(CC(=O)[O-])CCCCC2)cc1C ZINC000832899655 601561029 /nfs/dbraw/zinc/56/10/29/601561029.db2.gz PNGYDJDNZMKBMV-UHFFFAOYSA-N 0 0 291.391 3.276 20 10 CGCDRN Cc1ccc(/C=C2\SC(=S)N(C)C2=O)c(C)c1 ZINC000192839388 620699667 /nfs/dbraw/zinc/69/96/67/620699667.db2.gz XGLOSALJOCEICC-XFFZJAGNSA-N 0 0 263.387 3.134 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000806157014 617617239 /nfs/dbraw/zinc/61/72/39/617617239.db2.gz AEQKOLREZJBQPS-CWSCBRNRSA-N 0 0 271.788 3.246 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000806157016 617617715 /nfs/dbraw/zinc/61/77/15/617617715.db2.gz AEQKOLREZJBQPS-NRUUGDAUSA-N 0 0 271.788 3.246 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1cncc(C)c1 ZINC000255000005 617721840 /nfs/dbraw/zinc/72/18/40/617721840.db2.gz WGAMEXSJRBFVFG-KTKRTIGZSA-N 0 0 296.370 3.465 20 10 CGCDRN CC/C(C)=C(/C)C(=O)NCc1cccc(Cl)c1O ZINC000890759835 617816681 /nfs/dbraw/zinc/81/66/81/617816681.db2.gz RTICGDPMRUCRSZ-KTKRTIGZSA-N 0 0 267.756 3.408 20 10 CGCDRN CC[C@@H](Cc1nc(Cc2ccc(N)cc2)no1)C(C)C ZINC000843160040 617956013 /nfs/dbraw/zinc/95/60/13/617956013.db2.gz UTFMWQHCPQDCSO-ZDUSSCGKSA-N 0 0 273.380 3.467 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]CCC1CC1 ZINC000083893388 618014125 /nfs/dbraw/zinc/01/41/25/618014125.db2.gz DDDPJMXWVRRHRD-UHFFFAOYSA-N 0 0 270.170 3.044 20 10 CGCDRN Cc1cccc(C)c1NC(=O)CSc1nccs1 ZINC000047241517 618042137 /nfs/dbraw/zinc/04/21/37/618042137.db2.gz CGEOGRQTLPJVPX-UHFFFAOYSA-N 0 0 278.402 3.491 20 10 CGCDRN COC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000307790894 618079002 /nfs/dbraw/zinc/07/90/02/618079002.db2.gz VMUCQAOSWRVMGL-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@]12C[C@@H]1CCCC2)c1ccccc1O ZINC000924367878 618244214 /nfs/dbraw/zinc/24/42/14/618244214.db2.gz CHLMCMHPMTZZAS-IIYDPXPESA-N 0 0 288.391 3.333 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(C#N)s1 ZINC000184945068 625281942 /nfs/dbraw/zinc/28/19/42/625281942.db2.gz CHKPTBTZGKXRFO-UHFFFAOYSA-N 0 0 299.399 3.085 20 10 CGCDRN COc1ccc(N(C)Cc2cccnc2Cl)c(OC)c1 ZINC000179003807 618730645 /nfs/dbraw/zinc/73/06/45/618730645.db2.gz NAEYYANMENVEJK-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN C[C@H]1CCCCN1C(=O)CSc1ncc(Cl)s1 ZINC000849998131 618751750 /nfs/dbraw/zinc/75/17/50/618751750.db2.gz KMOZMUBEGVHVRI-QMMMGPOBSA-N 0 0 290.841 3.290 20 10 CGCDRN C[C@@H]1c2cccn2CCN1Cc1cc(Cl)ccc1O ZINC000179565959 618795894 /nfs/dbraw/zinc/79/58/94/618795894.db2.gz JNRGXCATVXUERW-LLVKDONJSA-N 0 0 276.767 3.424 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000310980201 618882959 /nfs/dbraw/zinc/88/29/59/618882959.db2.gz QVJZWFGRBCOCAH-WCBMZHEXSA-N 0 0 259.271 3.370 20 10 CGCDRN CC1(C)CCCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181187744 619022763 /nfs/dbraw/zinc/02/27/63/619022763.db2.gz OOACAQTWEQDMNG-LOWQCSRCSA-N 0 0 289.375 3.196 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)C=CCC1 ZINC000930905681 619089678 /nfs/dbraw/zinc/08/96/78/619089678.db2.gz KKYWGZKHJFXVRE-SFHVURJKSA-N 0 0 286.419 3.457 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(CCO)cc1 ZINC000840924136 619189819 /nfs/dbraw/zinc/18/98/19/619189819.db2.gz VLHBAYKXSDATOS-UHFFFAOYSA-N 0 0 284.403 3.208 20 10 CGCDRN CC[N@H+](Cc1ccoc1)Cc1cc(F)cc(F)c1[O-] ZINC000893993678 619345616 /nfs/dbraw/zinc/34/56/16/619345616.db2.gz SKQWWSFNOPVGMS-UHFFFAOYSA-N 0 0 267.275 3.286 20 10 CGCDRN COc1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000894103955 619375457 /nfs/dbraw/zinc/37/54/57/619375457.db2.gz TVNDHKZKPPMNSX-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)NOC1CCCCC1 ZINC000894312323 619485626 /nfs/dbraw/zinc/48/56/26/619485626.db2.gz ITXSBXFURUWKIU-UHFFFAOYSA-N 0 0 298.770 3.109 20 10 CGCDRN COc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000048402578 619490442 /nfs/dbraw/zinc/49/04/42/619490442.db2.gz PGXQXUXOUGFITQ-WQLSENKSSA-N 0 0 291.397 3.059 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000894329477 619494282 /nfs/dbraw/zinc/49/42/82/619494282.db2.gz TVGOFBFAMHFBMP-KOLCDFICSA-N 0 0 282.771 3.033 20 10 CGCDRN COc1ccc(F)cc1NCc1cc(C)cc(OC)c1O ZINC000894359429 619504104 /nfs/dbraw/zinc/50/41/04/619504104.db2.gz OMFZXFBCEIYJLQ-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN COc1cccc(NNC(=S)Nc2ccc(C)cc2)c1 ZINC000018167656 619520981 /nfs/dbraw/zinc/52/09/81/619520981.db2.gz OKLNYRWUQAKENZ-UHFFFAOYSA-N 0 0 287.388 3.317 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1 ZINC000018215091 619576194 /nfs/dbraw/zinc/57/61/94/619576194.db2.gz IFOILZZZHPRJFR-UHFFFAOYSA-N 0 0 288.778 3.336 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000894762315 619629084 /nfs/dbraw/zinc/62/90/84/619629084.db2.gz VRWXJUGAVGWRRL-HNNXBMFYSA-N 0 0 290.313 3.403 20 10 CGCDRN Oc1c(F)cc(F)cc1CN1CCOCc2ccccc21 ZINC000894790058 619632046 /nfs/dbraw/zinc/63/20/46/619632046.db2.gz NLJDMDVSORNHGV-UHFFFAOYSA-N 0 0 291.297 3.207 20 10 CGCDRN c1csc(Sc2ncnc3ccsc32)n1 ZINC000048894063 619650635 /nfs/dbraw/zinc/65/06/35/619650635.db2.gz GQZGIXGCKLNNPD-UHFFFAOYSA-N 0 0 251.361 3.299 20 10 CGCDRN CNC(=O)c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000020124678 619766913 /nfs/dbraw/zinc/76/69/13/619766913.db2.gz ZMPROMQDKURGOB-UHFFFAOYSA-N 0 0 290.750 3.017 20 10 CGCDRN Cc1cc(O)c(CN2CC[C@@H]2C(F)F)c(Cl)c1 ZINC000895431614 619825497 /nfs/dbraw/zinc/82/54/97/619825497.db2.gz NQMQYKBXRMOWAH-SNVBAGLBSA-N 0 0 261.699 3.193 20 10 CGCDRN O=C(NC1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895439545 619829394 /nfs/dbraw/zinc/82/93/94/619829394.db2.gz GSQPFURGFAWREN-UHFFFAOYSA-N 0 0 291.372 3.375 20 10 CGCDRN CC(C)N(Cc1ccco1)C(=O)Nc1ccc(N)cc1 ZINC000841300753 619853143 /nfs/dbraw/zinc/85/31/43/619853143.db2.gz TWBKFQKMGFNICM-UHFFFAOYSA-N 0 0 273.336 3.304 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(OC)c2OC)c1 ZINC000895773943 619882987 /nfs/dbraw/zinc/88/29/87/619882987.db2.gz HEPJIOPBOILBBP-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN Cc1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1N ZINC000314756335 620188527 /nfs/dbraw/zinc/18/85/27/620188527.db2.gz UVASSTABKFQCPC-UHFFFAOYSA-N 0 0 295.386 3.430 20 10 CGCDRN C[C@@]1(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1(F)F ZINC000864051391 620359844 /nfs/dbraw/zinc/35/98/44/620359844.db2.gz HTEFJEIZOKSVKV-GFCCVEGCSA-N 0 0 277.261 3.195 20 10 CGCDRN CC1=CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897641321 620416589 /nfs/dbraw/zinc/41/65/89/620416589.db2.gz YEWDFYWSWQFYSO-UHFFFAOYSA-N 0 0 289.356 3.105 20 10 CGCDRN CC1(C)CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])O1 ZINC000898046088 620463702 /nfs/dbraw/zinc/46/37/02/620463702.db2.gz BYRSFEIBOKWCAN-GFCCVEGCSA-N 0 0 285.334 3.108 20 10 CGCDRN C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000898215320 620488879 /nfs/dbraw/zinc/48/88/79/620488879.db2.gz LGJOTNPHWSCKAN-GFCCVEGCSA-N 0 0 282.815 3.008 20 10 CGCDRN CC(C)n1ccnc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898215981 620488941 /nfs/dbraw/zinc/48/89/41/620488941.db2.gz SLVHLHPTAHYJRZ-UHFFFAOYSA-N 0 0 279.771 3.113 20 10 CGCDRN COC(C)(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000866504409 620536363 /nfs/dbraw/zinc/53/63/63/620536363.db2.gz GJNLUKNPGTZLFF-VIFPVBQESA-N 0 0 273.323 3.136 20 10 CGCDRN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000898788345 620605035 /nfs/dbraw/zinc/60/50/35/620605035.db2.gz MVKVJJSKARTQON-JTQLQIEISA-N 0 0 291.372 3.231 20 10 CGCDRN COc1cncnc1NCc1ccc(N2CCCCC2)cc1 ZINC000902219373 621197390 /nfs/dbraw/zinc/19/73/90/621197390.db2.gz WGMUDFWPLSSNRR-UHFFFAOYSA-N 0 0 298.390 3.088 20 10 CGCDRN CCOc1ccc(CNc2cnc(CC3CC3)nc2)c(O)c1 ZINC000902261821 621214591 /nfs/dbraw/zinc/21/45/91/621214591.db2.gz UAZJBRBVFSVVGI-UHFFFAOYSA-N 0 0 299.374 3.146 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(F)F ZINC000073158599 625480737 /nfs/dbraw/zinc/48/07/37/625480737.db2.gz SMQQKMFKOOGTCL-UHFFFAOYSA-N 0 0 284.331 3.151 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000903265053 621649777 /nfs/dbraw/zinc/64/97/77/621649777.db2.gz OVDOLPAVCVYFBT-XUJVJEKNSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000903297559 621665128 /nfs/dbraw/zinc/66/51/28/621665128.db2.gz QGVHZQQRAVHARS-ZUZCIYMTSA-N 0 0 299.361 3.262 20 10 CGCDRN CC[C@H]([NH2+]C1CC(CCO)C1)c1cccc(Cl)c1[O-] ZINC000903333356 621689669 /nfs/dbraw/zinc/68/96/69/621689669.db2.gz PCEPTFANFCVPMV-MGULZYLOSA-N 0 0 283.799 3.247 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CCc2ccccc2CC1 ZINC000166378041 622332507 /nfs/dbraw/zinc/33/25/07/622332507.db2.gz BDROMDWWUAKCEE-UHFFFAOYSA-N 0 0 271.335 3.132 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(F)cc1[O-] ZINC000149591190 622345979 /nfs/dbraw/zinc/34/59/79/622345979.db2.gz DFBZKSNSPBGYHP-KOLCDFICSA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@H](CCC(C)(C)C)C(=O)NCc1ccc(O)cc1O ZINC000910949374 622509229 /nfs/dbraw/zinc/50/92/29/622509229.db2.gz KTNIKQFJRNIDFV-LLVKDONJSA-N 0 0 279.380 3.176 20 10 CGCDRN CC[C@@H](CC(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910956381 622510157 /nfs/dbraw/zinc/51/01/57/622510157.db2.gz VSRZPJHOFRRMME-ZDUSSCGKSA-N 0 0 299.370 3.298 20 10 CGCDRN CCCC[C@H](C(=O)NCc1ccc(O)cc1O)C(C)C ZINC000910943878 622511875 /nfs/dbraw/zinc/51/18/75/622511875.db2.gz PSTGNLSSPUXXLI-AWEZNQCLSA-N 0 0 279.380 3.176 20 10 CGCDRN CC1=C(C)C[C@@](C)(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000911782431 622550431 /nfs/dbraw/zinc/55/04/31/622550431.db2.gz JANZPHYPYSAYJQ-SFHVURJKSA-N 0 0 286.419 3.454 20 10 CGCDRN CCOc1ccc(N(C)Cc2noc(C(C)C)n2)cc1 ZINC000150729724 622656527 /nfs/dbraw/zinc/65/65/27/622656527.db2.gz RQZKNOYJJHLUHK-UHFFFAOYSA-N 0 0 275.352 3.228 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2=CCCCC2)c1 ZINC000188552747 622805329 /nfs/dbraw/zinc/80/53/29/622805329.db2.gz NNUICTCOBRNJDF-LLVKDONJSA-N 0 0 275.348 3.078 20 10 CGCDRN C[C@@H]1[C@H](C)OCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000164201950 622819256 /nfs/dbraw/zinc/81/92/56/622819256.db2.gz OPZQPTKVKAVYKD-NEPJUHHUSA-N 0 0 293.407 3.005 20 10 CGCDRN COC(=O)c1cccc(NCc2cccc(C)c2O)c1 ZINC000164943135 622851843 /nfs/dbraw/zinc/85/18/43/622851843.db2.gz ZWDUSRPYSZQBMF-UHFFFAOYSA-N 0 0 271.316 3.099 20 10 CGCDRN CCCCOCCC[NH2+][C@@H](C)c1ccccc1O ZINC000167431242 622935566 /nfs/dbraw/zinc/93/55/66/622935566.db2.gz NFTUARVIRHBNJX-ZDUSSCGKSA-N 0 0 251.370 3.250 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccccc2)c1 ZINC000157813738 622952334 /nfs/dbraw/zinc/95/23/34/622952334.db2.gz CHXSSDBMLZLUPH-YKWSONSWSA-N 0 0 297.354 3.291 20 10 CGCDRN CNC(=O)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000158055199 622994378 /nfs/dbraw/zinc/99/43/78/622994378.db2.gz QIQFWNODXIGEGY-UHFFFAOYSA-N 0 0 290.750 3.017 20 10 CGCDRN CSCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168789876 623014698 /nfs/dbraw/zinc/01/46/98/623014698.db2.gz BZBPSZCHMNBSFD-UWVGGRQHSA-N 0 0 257.374 3.324 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2C#N)cc1OC ZINC000063616808 623342078 /nfs/dbraw/zinc/34/20/78/623342078.db2.gz RYXJZBAXJBQICX-UHFFFAOYSA-N 0 0 282.343 3.212 20 10 CGCDRN C[C@H]([NH2+]CCOCC1CCCC1)c1ccc(F)cc1[O-] ZINC000313249267 623637874 /nfs/dbraw/zinc/63/78/74/623637874.db2.gz DVZQXGNTCCHBPK-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN O=C(/C=C/c1cccnc1)N1CCc2cccc(Cl)c21 ZINC000916419989 624158219 /nfs/dbraw/zinc/15/82/19/624158219.db2.gz PSWWSCQJHQTVTI-VOTSOKGWSA-N 0 0 284.746 3.338 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCF)cc1 ZINC000154453601 624294528 /nfs/dbraw/zinc/29/45/28/624294528.db2.gz HDHDFYKAVURHJP-UHFFFAOYSA-N 0 0 274.339 3.184 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(C)C)cc1 ZINC000918161077 624339305 /nfs/dbraw/zinc/33/93/05/624339305.db2.gz VVYDFHPDORJJMW-CQSZACIVSA-N 0 0 291.439 3.377 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C)s2)cc1OC ZINC000920418543 624492752 /nfs/dbraw/zinc/49/27/52/624492752.db2.gz FSQADDKWFABJLN-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN O=C(NCCCSc1nccs1)NC1CCCCC1 ZINC000175600398 624650788 /nfs/dbraw/zinc/65/07/88/624650788.db2.gz AYHDPFUUYPJJLD-UHFFFAOYSA-N 0 0 299.465 3.257 20 10 CGCDRN Nc1ccc(CC(=O)Nc2ccc(-c3cnco3)cc2)cc1 ZINC000237923990 624702689 /nfs/dbraw/zinc/70/26/89/624702689.db2.gz MPZUDCJIEFOKSD-UHFFFAOYSA-N 0 0 293.326 3.105 20 10 CGCDRN Cc1cc2cc(NC(=O)Cc3ccc(N)cc3)ccc2[nH]1 ZINC000237911330 624704043 /nfs/dbraw/zinc/70/40/43/624704043.db2.gz GCXJGRWYEFTHGB-UHFFFAOYSA-N 0 0 279.343 3.240 20 10 CGCDRN CCN(Cc1ccccc1C)C(=O)c1ccc(C)c(O)c1O ZINC000181877205 624906812 /nfs/dbraw/zinc/90/68/12/624906812.db2.gz BASLSAOJTMRMMW-UHFFFAOYSA-N 0 0 299.370 3.377 20 10 CGCDRN CCc1cccc(CC(=O)N(C)Cc2ccccc2O)c1 ZINC000124593845 634457438 /nfs/dbraw/zinc/45/74/38/634457438.db2.gz VGJVGNAMILETIH-UHFFFAOYSA-N 0 0 283.371 3.156 20 10 CGCDRN COC[C@H](NCc1ccc2c(c1)CCCO2)c1ccco1 ZINC000921809364 625885548 /nfs/dbraw/zinc/88/55/48/625885548.db2.gz LOGIMXVEVPXCNO-HNNXBMFYSA-N 0 0 287.359 3.082 20 10 CGCDRN Cc1ccc(O)c(CN[C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922519630 626010790 /nfs/dbraw/zinc/01/07/90/626010790.db2.gz FIKHWYCAVKDPTA-PBHICJAKSA-N 0 0 287.334 3.262 20 10 CGCDRN COC(C)(C)[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000922580844 626014225 /nfs/dbraw/zinc/01/42/25/626014225.db2.gz HZTDNEKTZCUMRN-QMMMGPOBSA-N 0 0 275.751 3.088 20 10 CGCDRN CC(C)CCOCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756504761 626096194 /nfs/dbraw/zinc/09/61/94/626096194.db2.gz SVMHPTATEJYOGX-NSHDSACASA-N 0 0 287.350 3.384 20 10 CGCDRN C[C@@H](NC(=O)N1CC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000838559999 626237075 /nfs/dbraw/zinc/23/70/75/626237075.db2.gz SAZVPCNZYLASMV-MLGOLLRUSA-N 0 0 287.407 3.008 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C12CCC2 ZINC000839182619 626326584 /nfs/dbraw/zinc/32/65/84/626326584.db2.gz ODXFHBBILPESPN-QWHCGFSZSA-N 0 0 299.773 3.232 20 10 CGCDRN C[C@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873968262 634499375 /nfs/dbraw/zinc/49/93/75/634499375.db2.gz HGCBMGFPMUHSOH-GXFFZTMASA-N 0 0 288.351 3.158 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)c(O)c1O ZINC000751532679 626395009 /nfs/dbraw/zinc/39/50/09/626395009.db2.gz DIGDIBTVJRSTID-OAHLLOKOSA-N 0 0 297.354 3.287 20 10 CGCDRN O=C(OCCCCC(F)(F)F)C1=CC(=O)CS1 ZINC000751716132 626401592 /nfs/dbraw/zinc/40/15/92/626401592.db2.gz SLKTXIPWVPKPPJ-UHFFFAOYSA-N 0 0 268.256 3.343 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)[C@H]1C ZINC000752973228 626442773 /nfs/dbraw/zinc/44/27/73/626442773.db2.gz GTDDDNFHMRNALG-GXTWGEPZSA-N 0 0 289.423 3.001 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756370446 626697582 /nfs/dbraw/zinc/69/75/82/626697582.db2.gz IRDKVMLSNBWWOJ-SECBINFHSA-N 0 0 267.275 3.157 20 10 CGCDRN Cc1csc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756383296 626699310 /nfs/dbraw/zinc/69/93/10/626699310.db2.gz XJPVVRCMTWXWGY-MRVPVSSYSA-N 0 0 284.331 3.286 20 10 CGCDRN C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756417069 626703906 /nfs/dbraw/zinc/70/39/06/626703906.db2.gz OSPGHRFRJXPZEF-NWDGAFQWSA-N 0 0 298.377 3.053 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(O)c1)c1cc(F)cc(F)c1[O-] ZINC000756516901 626711355 /nfs/dbraw/zinc/71/13/55/626711355.db2.gz UFFYTUCAMROJSC-VIFPVBQESA-N 0 0 279.286 3.227 20 10 CGCDRN Cc1ncsc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756549487 626713763 /nfs/dbraw/zinc/71/37/63/626713763.db2.gz OAVWJCMGLACCJW-ZETCQYMHSA-N 0 0 284.331 3.286 20 10 CGCDRN Cc1noc(C)c1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756551958 626714612 /nfs/dbraw/zinc/71/46/12/626714612.db2.gz LGZFKIARCFYNQV-QMMMGPOBSA-N 0 0 296.317 3.169 20 10 CGCDRN CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000756593453 626719337 /nfs/dbraw/zinc/71/93/37/626719337.db2.gz KCIOTFWGVPGWGL-LLVKDONJSA-N 0 0 277.343 3.160 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000756630378 626722221 /nfs/dbraw/zinc/72/22/21/626722221.db2.gz VHGDJQONBDOUJI-NHYWBVRUSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756651895 626724870 /nfs/dbraw/zinc/72/48/70/626724870.db2.gz YKVXOQJPSIHTDE-ZOWXZIJZSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@@H]([NH2+]C1CCSCC1)c1cc(F)cc(F)c1[O-] ZINC000756682370 626726622 /nfs/dbraw/zinc/72/66/22/626726622.db2.gz BMPOUTXEBJCQMT-MRVPVSSYSA-N 0 0 273.348 3.217 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756770992 626730526 /nfs/dbraw/zinc/73/05/26/626730526.db2.gz QFFYTBWFKGJGHL-KOLCDFICSA-N 0 0 285.334 3.279 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756816241 626734173 /nfs/dbraw/zinc/73/41/73/626734173.db2.gz BNUORIGQHKIGDD-NXEZZACHSA-N 0 0 264.325 3.140 20 10 CGCDRN COc1ccc(N[C@@H](C)c2cc(F)ccc2O)nc1 ZINC000756845135 626737262 /nfs/dbraw/zinc/73/72/62/626737262.db2.gz PDVSVRKVFLFFQK-VIFPVBQESA-N 0 0 262.284 3.108 20 10 CGCDRN Cc1cnc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000758141834 626830348 /nfs/dbraw/zinc/83/03/48/626830348.db2.gz DACWHNFRDGTBIY-UHFFFAOYSA-N 0 0 282.391 3.020 20 10 CGCDRN CC(C)C[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000758346603 626838168 /nfs/dbraw/zinc/83/81/68/626838168.db2.gz PMSGBKRSFHNXJV-LLVKDONJSA-N 0 0 267.394 3.495 20 10 CGCDRN C[C@H](OC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000758561863 626849363 /nfs/dbraw/zinc/84/93/63/626849363.db2.gz OPHRFYJSYZYDKO-VIFPVBQESA-N 0 0 276.263 3.155 20 10 CGCDRN CCc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000759589271 626908148 /nfs/dbraw/zinc/90/81/48/626908148.db2.gz QTWMVAJQZCYIFS-NTMALXAHSA-N 0 0 298.338 3.417 20 10 CGCDRN CC[C@@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000759589521 626908218 /nfs/dbraw/zinc/90/82/18/626908218.db2.gz AGMWFOOWVSDXME-LLVKDONJSA-N 0 0 299.465 3.209 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)c(Cl)cc1F ZINC000760123297 626940595 /nfs/dbraw/zinc/94/05/95/626940595.db2.gz VCIIOUBKUQPIGM-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(C)c2O)cc1OC ZINC000761221335 627025896 /nfs/dbraw/zinc/02/58/96/627025896.db2.gz IJQALABUSGNSJE-UHFFFAOYSA-N 0 0 287.359 3.354 20 10 CGCDRN CC[C@H]1C[C@@H](CN(C)c2ccc(OC)c(OC)c2)CCO1 ZINC000761222219 627026004 /nfs/dbraw/zinc/02/60/04/627026004.db2.gz RJJLWYLMAHEBQL-ZFWWWQNUSA-N 0 0 293.407 3.345 20 10 CGCDRN COc1ccsc1CN(C)c1ccc(OC)c(OC)c1 ZINC000761220424 627026014 /nfs/dbraw/zinc/02/60/14/627026014.db2.gz CKIAOENHCJBRIJ-UHFFFAOYSA-N 0 0 293.388 3.410 20 10 CGCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000761218254 627026436 /nfs/dbraw/zinc/02/64/36/627026436.db2.gz ASLYUSUJCBOTCP-CYBMUJFWSA-N 0 0 276.424 3.441 20 10 CGCDRN CCC1(CNC(=O)C2=CC(=O)CS2)CCCC1 ZINC000761591982 627052481 /nfs/dbraw/zinc/05/24/81/627052481.db2.gz ROTRPOWGFKSNDD-UHFFFAOYSA-N 0 0 253.367 3.154 20 10 CGCDRN CCN(CC)c1ccc(CNc2cncc(C)n2)cc1 ZINC000762788208 627123967 /nfs/dbraw/zinc/12/39/67/627123967.db2.gz WLZDAHCBNUZXLP-UHFFFAOYSA-N 0 0 270.380 3.243 20 10 CGCDRN CC[C@@H](NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000763501477 627161217 /nfs/dbraw/zinc/16/12/17/627161217.db2.gz ISCUSVPJCWEFTB-GFCCVEGCSA-N 0 0 299.798 3.256 20 10 CGCDRN CCOC(=O)[C@H](CC)Sc1ncc(Cl)s1 ZINC000765043087 627237705 /nfs/dbraw/zinc/23/77/05/627237705.db2.gz AWYBKSCCRHDWTK-LURJTMIESA-N 0 0 265.787 3.230 20 10 CGCDRN CCCCN(C)C(=O)CSc1ncc(Cl)s1 ZINC000765084198 627239355 /nfs/dbraw/zinc/23/93/55/627239355.db2.gz HWAQQVPLIPMEEO-UHFFFAOYSA-N 0 0 278.830 3.147 20 10 CGCDRN CC(C)N(Cc1ccco1)C(=O)C1=CC(=O)CS1 ZINC000765176189 627242283 /nfs/dbraw/zinc/24/22/83/627242283.db2.gz MFINYSOFONWKSI-UHFFFAOYSA-N 0 0 265.334 3.098 20 10 CGCDRN Cc1cccc(CN2C[C@H](C)Oc3ccccc32)c1O ZINC000765652682 627265008 /nfs/dbraw/zinc/26/50/08/627265008.db2.gz WNRUERCPWFFEGS-ZDUSSCGKSA-N 0 0 269.344 3.488 20 10 CGCDRN C[C@H](CN(C)C(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000874591206 634567689 /nfs/dbraw/zinc/56/76/89/634567689.db2.gz FULRYQOEIDLQNO-YPUOHESYSA-N 0 0 291.391 3.252 20 10 CGCDRN CCN(C/C=C\Cl)c1ccc(OC)c(OC)c1 ZINC000767888502 627441072 /nfs/dbraw/zinc/44/10/72/627441072.db2.gz HCJQWJVZZUPVKF-YVMONPNESA-N 0 0 255.745 3.283 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCC1(O)CCCC1 ZINC000768000791 627448865 /nfs/dbraw/zinc/44/88/65/627448865.db2.gz RZGUYIXEHXIXIE-UHFFFAOYSA-N 0 0 288.416 3.484 20 10 CGCDRN Cc1oc2ccccc2c1C(=O)NCc1ccccc1O ZINC000768287329 627472284 /nfs/dbraw/zinc/47/22/84/627472284.db2.gz RICDYHMLRJNJGQ-UHFFFAOYSA-N 0 0 281.311 3.377 20 10 CGCDRN c1csc(SCc2cccc3nsnc32)n1 ZINC000768330821 627473589 /nfs/dbraw/zinc/47/35/89/627473589.db2.gz TUESENGDESREII-UHFFFAOYSA-N 0 0 265.388 3.440 20 10 CGCDRN CCOc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)c(O)c1 ZINC000768869199 627504575 /nfs/dbraw/zinc/50/45/75/627504575.db2.gz QTTKXTCVHFFNKS-UHFFFAOYSA-N 0 0 299.370 3.055 20 10 CGCDRN C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000769418532 627550320 /nfs/dbraw/zinc/55/03/20/627550320.db2.gz RZWSWLZWTWWKQB-ZANVPECISA-N 0 0 297.301 3.038 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2C(C)C)cc1 ZINC000771931745 627746479 /nfs/dbraw/zinc/74/64/79/627746479.db2.gz TXWLNVOENYUPPD-IRXDYDNUSA-N 0 0 288.435 3.441 20 10 CGCDRN COc1cc(NCc2ccc(N3CCCCC3)cc2)ncn1 ZINC000772010730 627755003 /nfs/dbraw/zinc/75/50/03/627755003.db2.gz WPPQUAJXFXPMKO-UHFFFAOYSA-N 0 0 298.390 3.088 20 10 CGCDRN Cc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000772769702 627820429 /nfs/dbraw/zinc/82/04/29/627820429.db2.gz PRYUBXUIKJSODP-VQHVLOKHSA-N 0 0 284.311 3.163 20 10 CGCDRN Cc1ccoc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772998021 627839448 /nfs/dbraw/zinc/83/94/48/627839448.db2.gz IITLFCJLXMDHBW-LBPRGKRZSA-N 0 0 272.348 3.145 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773012055 627842036 /nfs/dbraw/zinc/84/20/36/627842036.db2.gz WJPVYWFDNFCUOU-UMVBOHGHSA-N 0 0 274.408 3.366 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773012051 627842237 /nfs/dbraw/zinc/84/22/37/627842237.db2.gz WJPVYWFDNFCUOU-NFAWXSAZSA-N 0 0 274.408 3.366 20 10 CGCDRN Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773013222 627842673 /nfs/dbraw/zinc/84/26/73/627842673.db2.gz JUEHMUMKUFJCHF-CYBMUJFWSA-N 0 0 286.375 3.453 20 10 CGCDRN CCc1ccnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773018644 627843088 /nfs/dbraw/zinc/84/30/88/627843088.db2.gz MQMKWGQUJIWPBU-CYBMUJFWSA-N 0 0 297.402 3.201 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC[C@H](C)SC)c1 ZINC000773477903 627889231 /nfs/dbraw/zinc/88/92/31/627889231.db2.gz WHTHOQZQEYRUIJ-WDEREUQCSA-N 0 0 297.420 3.110 20 10 CGCDRN C[C@@H](NC(=O)N1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773611694 627900009 /nfs/dbraw/zinc/90/00/09/627900009.db2.gz JCVAJJMZUKBHJY-UONOGXRCSA-N 0 0 289.423 3.255 20 10 CGCDRN COc1cc(CN(C)c2ccc3c(c2)OCO3)ccc1C ZINC000775058431 628058998 /nfs/dbraw/zinc/05/89/98/628058998.db2.gz YUXQMPDGDLTPPL-UHFFFAOYSA-N 0 0 285.343 3.369 20 10 CGCDRN CC[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)ccc1O ZINC000775491774 628100565 /nfs/dbraw/zinc/10/05/65/628100565.db2.gz JHCDDOXMIOSKRR-AWEZNQCLSA-N 0 0 293.798 3.063 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000775736031 628130944 /nfs/dbraw/zinc/13/09/44/628130944.db2.gz JLWVDBCWHHHCCS-OCCSQVGLSA-N 0 0 281.783 3.047 20 10 CGCDRN CC(C)n1ccnc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834690 628141203 /nfs/dbraw/zinc/14/12/03/628141203.db2.gz COKDBCITWDFHCK-AWEZNQCLSA-N 0 0 286.423 3.381 20 10 CGCDRN C[C@H]1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000776314398 628192716 /nfs/dbraw/zinc/19/27/16/628192716.db2.gz PXMUXRWAMBMGPV-XJKSGUPXSA-N 0 0 286.419 3.121 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000776339876 628195525 /nfs/dbraw/zinc/19/55/25/628195525.db2.gz CMENOIRHQFXTKV-ZBFHGGJFSA-N 0 0 286.419 3.339 20 10 CGCDRN C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000776446009 628212406 /nfs/dbraw/zinc/21/24/06/628212406.db2.gz CBBFLQQUULKVGP-DZGCQCFKSA-N 0 0 274.408 3.147 20 10 CGCDRN Oc1cccc(Cl)c1CNc1ccc(F)cn1 ZINC000777512976 628277338 /nfs/dbraw/zinc/27/73/38/628277338.db2.gz UJXDWEMBKVKBDD-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCCc3ccccc32)cn1 ZINC000777836684 628301503 /nfs/dbraw/zinc/30/15/03/628301503.db2.gz MOSIPNPRIUECAE-ZHACJKMWSA-N 0 0 278.355 3.383 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccccc1 ZINC000777847790 628303845 /nfs/dbraw/zinc/30/38/45/628303845.db2.gz YFPBBMOOBNEFKH-VAWYXSNFSA-N 0 0 266.344 3.456 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)cc1 ZINC000777854418 628304207 /nfs/dbraw/zinc/30/42/07/628304207.db2.gz MEXMNAMZOUGHQG-FLIBITNWSA-N 0 0 266.344 3.375 20 10 CGCDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCO1 ZINC000778513443 628353660 /nfs/dbraw/zinc/35/36/60/628353660.db2.gz BJWYMBCTCIRJNP-AAEUAGOBSA-N 0 0 297.420 3.167 20 10 CGCDRN CCN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1O ZINC000778520357 628354192 /nfs/dbraw/zinc/35/41/92/628354192.db2.gz UXWFZCFUTDGQDD-OAHLLOKOSA-N 0 0 286.306 3.118 20 10 CGCDRN CC(C)C[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779511309 628416061 /nfs/dbraw/zinc/41/60/61/628416061.db2.gz UJGDZJSJWFHIEW-IZPAUZPXSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1ccc(C(=O)OCc2c(F)cccc2F)c(O)c1O ZINC000780064602 628454115 /nfs/dbraw/zinc/45/41/15/628454115.db2.gz YMSCLWWOJZXDFY-UHFFFAOYSA-N 0 0 294.253 3.041 20 10 CGCDRN COc1cccc(O)c1CN1CCCc2ccccc21 ZINC000780754353 628514373 /nfs/dbraw/zinc/51/43/73/628514373.db2.gz NINFAEHYKKBXCA-UHFFFAOYSA-N 0 0 269.344 3.354 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCO[C@H](C)C1 ZINC000780767671 628515628 /nfs/dbraw/zinc/51/56/28/628515628.db2.gz UQRUSLVVLHOXSK-KGLIPLIRSA-N 0 0 275.392 3.263 20 10 CGCDRN COc1ccc(O)c(CN2CCc3cc(C)ccc32)c1 ZINC000780768941 628515884 /nfs/dbraw/zinc/51/58/84/628515884.db2.gz HUKOAKGCCIMNOK-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(N)s2)cc1Cl ZINC000780778302 628516190 /nfs/dbraw/zinc/51/61/90/628516190.db2.gz HBTNWIRPOZCDDB-UHFFFAOYSA-N 0 0 283.784 3.024 20 10 CGCDRN CCc1ccc(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000780778747 628516709 /nfs/dbraw/zinc/51/67/09/628516709.db2.gz RPTFKMGDXQNURW-UHFFFAOYSA-N 0 0 259.305 3.207 20 10 CGCDRN COc1ccc(N(C)Cc2nn(C)c3ccccc23)cc1F ZINC000780779604 628516977 /nfs/dbraw/zinc/51/69/77/628516977.db2.gz OUXWFHYUMDINKW-UHFFFAOYSA-N 0 0 299.349 3.357 20 10 CGCDRN Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(C)c(O)c1O ZINC000780931413 628525118 /nfs/dbraw/zinc/52/51/18/628525118.db2.gz JHKBHQCFDPMKJH-HNNXBMFYSA-N 0 0 297.354 3.132 20 10 CGCDRN CCC(CC)(CNC(=O)c1ccc(C)c(O)c1O)SC ZINC000780950605 628526052 /nfs/dbraw/zinc/52/60/52/628526052.db2.gz BJTIAKJPVNXFFM-UHFFFAOYSA-N 0 0 297.420 3.058 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CC[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000781616994 628579890 /nfs/dbraw/zinc/57/98/90/628579890.db2.gz QYHVNJDSFKLVAA-WFASDCNBSA-N 0 0 297.402 3.408 20 10 CGCDRN O=C(N[C@@H]1CCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000875031776 634672158 /nfs/dbraw/zinc/67/21/58/634672158.db2.gz UACFMFUQUZUCPG-MRXNPFEDSA-N 0 0 294.354 3.105 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1CCCOc2ccccc21 ZINC000784102735 628779547 /nfs/dbraw/zinc/77/95/47/628779547.db2.gz ADDAQNCPGQMIFJ-BQYQJAHWSA-N 0 0 294.354 3.219 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)C(C)C ZINC000784363954 628809649 /nfs/dbraw/zinc/80/96/49/628809649.db2.gz HPFZWUBXSDCXQO-HNNXBMFYSA-N 0 0 280.387 3.095 20 10 CGCDRN CC1(C)CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000785585293 628872095 /nfs/dbraw/zinc/87/20/95/628872095.db2.gz VFILZEWKFFROFJ-CYBMUJFWSA-N 0 0 276.380 3.160 20 10 CGCDRN CCc1cccc(Cl)c1C=C1SC(=S)NC1=O ZINC000788732303 629076954 /nfs/dbraw/zinc/07/69/54/629076954.db2.gz MLMCTBVSQDUYIJ-UXBLZVDNSA-N 0 0 283.805 3.391 20 10 CGCDRN CCc1cccc(Cl)c1C=C1SC(=S)NC1=O ZINC000788732286 629077138 /nfs/dbraw/zinc/07/71/38/629077138.db2.gz MLMCTBVSQDUYIJ-POHAHGRESA-N 0 0 283.805 3.391 20 10 CGCDRN COc1ccc(N(CCC[C@H](C)O)CC(C)C)cc1 ZINC000789346652 629126507 /nfs/dbraw/zinc/12/65/07/629126507.db2.gz ZYRGRYIQXNLETR-AWEZNQCLSA-N 0 0 265.397 3.319 20 10 CGCDRN Oc1ccc(Cl)c(F)c1CNc1nnc(C(F)F)o1 ZINC000790245570 629196873 /nfs/dbraw/zinc/19/68/73/629196873.db2.gz GBBGVSMINLLLGP-UHFFFAOYSA-N 0 0 293.632 3.117 20 10 CGCDRN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(O)c1O ZINC000790486689 629212882 /nfs/dbraw/zinc/21/28/82/629212882.db2.gz YVALBJFKUHZSPI-RWMBFGLXSA-N 0 0 289.375 3.187 20 10 CGCDRN Cc1ccc(O)c(CNc2cccc(N3CCC3=O)c2)c1 ZINC000790487333 629213007 /nfs/dbraw/zinc/21/30/07/629213007.db2.gz YNFWRKWZNVBHLG-UHFFFAOYSA-N 0 0 282.343 3.049 20 10 CGCDRN Cc1ccccc1CN(C(=O)c1cccc(O)c1O)C1CC1 ZINC000790528208 629216165 /nfs/dbraw/zinc/21/61/65/629216165.db2.gz NQBLIOLUFGVFSR-UHFFFAOYSA-N 0 0 297.354 3.211 20 10 CGCDRN CC[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000790648770 629222979 /nfs/dbraw/zinc/22/29/79/629222979.db2.gz QMJWGGGGLTZLPP-LBPRGKRZSA-N 0 0 262.397 3.113 20 10 CGCDRN CC(C)=CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790684343 629225262 /nfs/dbraw/zinc/22/52/62/629225262.db2.gz XKWBFJDWOJXNMD-NSHDSACASA-N 0 0 264.325 3.307 20 10 CGCDRN CC(C)[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)O ZINC000790701829 629225784 /nfs/dbraw/zinc/22/57/84/629225784.db2.gz OCIIXLKCTLRCQI-OTYXRUKQSA-N 0 0 287.350 3.117 20 10 CGCDRN O=C(N[C@H](CC1CC1)c1ccccc1)c1cccc(O)c1O ZINC000790796053 629231242 /nfs/dbraw/zinc/23/12/42/629231242.db2.gz PLFJPABESMDRDZ-OAHLLOKOSA-N 0 0 297.354 3.369 20 10 CGCDRN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790958653 629242770 /nfs/dbraw/zinc/24/27/70/629242770.db2.gz KAUHOWXVRNHNFA-LKFCYVNXSA-N 0 0 289.778 3.071 20 10 CGCDRN Cc1c[nH]c(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000862221600 629325606 /nfs/dbraw/zinc/32/56/06/629325606.db2.gz ADCGBKDPAPKZEH-UHFFFAOYSA-N 0 0 286.423 3.195 20 10 CGCDRN COc1ccc(N(C)CC2(OC)CCCC2)cc1OC ZINC000792174868 629344656 /nfs/dbraw/zinc/34/46/56/629344656.db2.gz IPURLFUOVLNDME-UHFFFAOYSA-N 0 0 279.380 3.099 20 10 CGCDRN CC[C@H]1CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862372837 629355672 /nfs/dbraw/zinc/35/56/72/629355672.db2.gz BOJVLSFNZFWQLY-NSHDSACASA-N 0 0 254.324 3.015 20 10 CGCDRN CN(C)c1cc(F)c(CN2CC(CC(F)F)C2)cc1F ZINC000862397364 629361687 /nfs/dbraw/zinc/36/16/87/629361687.db2.gz GABIZBMWBBRFMD-UHFFFAOYSA-N 0 0 290.304 3.118 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2CC(C(C)(C)C)C2)c1 ZINC000862755075 629429917 /nfs/dbraw/zinc/42/99/17/629429917.db2.gz OFNKEQOHTDQVBH-UHFFFAOYSA-N 0 0 275.392 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C2=CCCCCC2)c1 ZINC000862756997 629430014 /nfs/dbraw/zinc/43/00/14/629430014.db2.gz CQDFCIXRBQYGPN-UHFFFAOYSA-N 0 0 259.349 3.207 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C2/CC[C@H](C)C2)c1 ZINC000862758293 629430514 /nfs/dbraw/zinc/43/05/14/629430514.db2.gz VXUVJNXBCSEOPT-KWJWQAOWSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CNc2c(C)cccc2C)c1 ZINC000862759298 629430913 /nfs/dbraw/zinc/43/09/13/629430913.db2.gz BAAWDMPQSSMHBN-UHFFFAOYSA-N 0 0 298.386 3.046 20 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20 10 CGCDRN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000794829162 629583162 /nfs/dbraw/zinc/58/31/62/629583162.db2.gz FHQHYIHRIZGVPN-MNOVXSKESA-N 0 0 286.366 3.051 20 10 CGCDRN Cc1ccccc1OCCCN(C)c1ccc(N)cc1 ZINC000863557266 629604780 /nfs/dbraw/zinc/60/47/80/629604780.db2.gz KZRILTQRGODEEV-UHFFFAOYSA-N 0 0 270.376 3.483 20 10 CGCDRN C/C=C/C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000863816143 629677773 /nfs/dbraw/zinc/67/77/73/629677773.db2.gz AVDSDXAMANNXJU-KXMPLOMGSA-N 0 0 265.378 3.272 20 10 CGCDRN CC1CCC(C)(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000795577514 629696648 /nfs/dbraw/zinc/69/66/48/629696648.db2.gz LBMPWPUQHWBKBD-UHFFFAOYSA-N 0 0 267.394 3.400 20 10 CGCDRN CC/C=C\CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836405512 634757657 /nfs/dbraw/zinc/75/76/57/634757657.db2.gz HBCULEVJEPXGHW-FWWRYZNZSA-N 0 0 275.396 3.079 20 10 CGCDRN CCOc1ccc(N(CC)Cc2ccnc(C)n2)cc1 ZINC000796447369 629782289 /nfs/dbraw/zinc/78/22/89/629782289.db2.gz MNAQIQUGKLXJCU-UHFFFAOYSA-N 0 0 271.364 3.210 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccc(C)n1)c1ccc(F)cc1[O-] ZINC000796704003 629817426 /nfs/dbraw/zinc/81/74/26/629817426.db2.gz YUAXPSQEPVRNFF-OAHLLOKOSA-N 0 0 274.339 3.476 20 10 CGCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796782116 629832960 /nfs/dbraw/zinc/83/29/60/629832960.db2.gz OYHLNSAGEWTNMR-UXIGCNINSA-N 0 0 283.387 3.369 20 10 CGCDRN C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)cc1[O-] ZINC000797057301 629879084 /nfs/dbraw/zinc/87/90/84/629879084.db2.gz OQDLXNAQDKBBET-LLVKDONJSA-N 0 0 285.322 3.030 20 10 CGCDRN Cc1cc(C(=O)COC(=O)C(C)C)c(C)n1-c1ccccc1 ZINC000797585726 629963714 /nfs/dbraw/zinc/96/37/14/629963714.db2.gz MNCIRESJJRRZQK-UHFFFAOYSA-N 0 0 299.370 3.476 20 10 CGCDRN Cc1cc(CN2CC(OC(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000797821327 629987633 /nfs/dbraw/zinc/98/76/33/629987633.db2.gz NPZGVBGQSNWWOZ-UHFFFAOYSA-N 0 0 299.361 3.422 20 10 CGCDRN O=C1/C(=C\c2cn(C3CC3)cn2)c2cccc3c2N1CCC3 ZINC000865225337 630029475 /nfs/dbraw/zinc/02/94/75/630029475.db2.gz AWSGRWSPWNIHRF-SXGWCWSVSA-N 0 0 291.354 3.051 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc([C@H]2C[C@H]2C)o1 ZINC000865294214 630056817 /nfs/dbraw/zinc/05/68/17/630056817.db2.gz JEJDGFZQEXCTOX-RISCZKNCSA-N 0 0 286.379 3.180 20 10 CGCDRN COc1ccccc1CSc1ncc([N+](=O)[O-])s1 ZINC000799940394 630245726 /nfs/dbraw/zinc/24/57/26/630245726.db2.gz ZQHITGZVMDHQFO-UHFFFAOYSA-N 0 0 282.346 3.352 20 10 CGCDRN CCOc1ccc(O)c(CN2CCCC[C@@H]2C(F)F)c1 ZINC000800532933 630291940 /nfs/dbraw/zinc/29/19/40/630291940.db2.gz APMUHLBAOFCLLL-CYBMUJFWSA-N 0 0 285.334 3.411 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C ZINC000801545593 630342513 /nfs/dbraw/zinc/34/25/13/630342513.db2.gz CDCKMMQDQJLGCA-TZMCWYRMSA-N 0 0 261.365 3.177 20 10 CGCDRN C/C=C(/C)C(=O)N(CCCC)Cc1ccccc1O ZINC000801548432 630343017 /nfs/dbraw/zinc/34/30/17/630343017.db2.gz FWGBOMLOKDVKEW-ACAGNQJTSA-N 0 0 261.365 3.487 20 10 CGCDRN CCCCN(Cc1ccccc1O)Cc1nccc(C)n1 ZINC000801596478 630346982 /nfs/dbraw/zinc/34/69/82/630346982.db2.gz AUKZTRNBXHIOHN-UHFFFAOYSA-N 0 0 285.391 3.293 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1cccc(Cl)c1[O-] ZINC000806140945 630547679 /nfs/dbraw/zinc/54/76/79/630547679.db2.gz ODZFSSMQJJXATG-ZDUSSCGKSA-N 0 0 279.771 3.318 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cccc(Cl)c1[O-] ZINC000806152199 630550287 /nfs/dbraw/zinc/55/02/87/630550287.db2.gz VDMZJRRDZRWXCR-BXKDBHETSA-N 0 0 271.788 3.246 20 10 CGCDRN Cc1cnn(C)c1CN(C)c1ccc(OC(C)C)cc1 ZINC000809654294 630775757 /nfs/dbraw/zinc/77/57/57/630775757.db2.gz XILKYNSHUWVKKQ-UHFFFAOYSA-N 0 0 273.380 3.152 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000809787306 630808471 /nfs/dbraw/zinc/80/84/71/630808471.db2.gz YPHNTUXCZUGDBF-ABAIWWIYSA-N 0 0 291.778 3.257 20 10 CGCDRN COc1cc(C)nc(COc2ccc(N(C)C)cc2)c1 ZINC000810000824 630826615 /nfs/dbraw/zinc/82/66/15/630826615.db2.gz OMDUDGLDEVKCPS-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CCN(CC)c1ccc(CNc2nccnc2C)cc1F ZINC000811804704 631120971 /nfs/dbraw/zinc/12/09/71/631120971.db2.gz YDOUBOCBIRBXKN-UHFFFAOYSA-N 0 0 288.370 3.382 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](C)COC ZINC000812492861 631268419 /nfs/dbraw/zinc/26/84/19/631268419.db2.gz PIDDWCGQZDRKAW-UONOGXRCSA-N 0 0 293.407 3.049 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H](C)COC ZINC000812492860 631268683 /nfs/dbraw/zinc/26/86/83/631268683.db2.gz PIDDWCGQZDRKAW-KGLIPLIRSA-N 0 0 293.407 3.049 20 10 CGCDRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000812543815 631272500 /nfs/dbraw/zinc/27/25/00/631272500.db2.gz LFYNYVAGVPBJFE-JGGQBBKZSA-N 0 0 274.408 3.366 20 10 CGCDRN COc1cccc(O)c1CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000814171853 631537163 /nfs/dbraw/zinc/53/71/63/631537163.db2.gz WOYPUPHZIJNPFE-QGZVFWFLSA-N 0 0 298.386 3.379 20 10 CGCDRN CC[C@H]1CC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000814179016 631540013 /nfs/dbraw/zinc/54/00/13/631540013.db2.gz MYYIKNXJXONFEO-NSHDSACASA-N 0 0 284.197 3.447 20 10 CGCDRN CCCN(CCC)c1ccc(CNc2ncn(C)n2)cc1 ZINC000814255595 631564191 /nfs/dbraw/zinc/56/41/91/631564191.db2.gz WAAKZMWMZRNBPT-UHFFFAOYSA-N 0 0 287.411 3.054 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2CC(C(C)(C)C)C2)cc1OC ZINC000840323254 631588736 /nfs/dbraw/zinc/58/87/36/631588736.db2.gz JAWGLEJYRLBOAC-UHFFFAOYSA-N 0 0 294.351 3.094 20 10 CGCDRN Cc1cc(CN(CC(F)F)C2CC2)ccc1N(C)C ZINC000815043255 631706549 /nfs/dbraw/zinc/70/65/49/631706549.db2.gz PQPVDQFDEGHZEB-UHFFFAOYSA-N 0 0 268.351 3.291 20 10 CGCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cc[nH]c(=O)c1 ZINC000815147881 631730746 /nfs/dbraw/zinc/73/07/46/631730746.db2.gz HLEOGFHXHZESSJ-MRVPVSSYSA-N 0 0 296.729 3.136 20 10 CGCDRN CCc1nocc1CN(C)Cc1ccc(N(C)CC)cc1 ZINC000815171056 631735778 /nfs/dbraw/zinc/73/57/78/631735778.db2.gz JZXVKCMXBIUNMZ-UHFFFAOYSA-N 0 0 287.407 3.325 20 10 CGCDRN C[C@@H]([NH2+]CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557571 631795868 /nfs/dbraw/zinc/79/58/68/631795868.db2.gz XYMXGJCGLDHZHE-MRVPVSSYSA-N 0 0 259.271 3.472 20 10 CGCDRN CCOC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815618928 631807544 /nfs/dbraw/zinc/80/75/44/631807544.db2.gz YCEUFINGJDHCKE-VHSXEESVSA-N 0 0 291.313 3.487 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(F)cc1[O-] ZINC000815642377 631810575 /nfs/dbraw/zinc/81/05/75/631810575.db2.gz AEQLMFJWLJYBIM-YGRLFVJLSA-N 0 0 290.338 3.434 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccn1 ZINC000816528770 632003955 /nfs/dbraw/zinc/00/39/55/632003955.db2.gz QZISGWUCUBCMCY-SECBINFHSA-N 0 0 280.730 3.431 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC(F)(F)F ZINC000816554133 632010480 /nfs/dbraw/zinc/01/04/80/632010480.db2.gz PROQUPMXIGCBEE-UHFFFAOYSA-N 0 0 271.641 3.227 20 10 CGCDRN CCOC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816589841 632019392 /nfs/dbraw/zinc/01/93/92/632019392.db2.gz KNFDIYZJCYRTJM-CYBMUJFWSA-N 0 0 289.778 3.335 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OC ZINC000816617256 632024744 /nfs/dbraw/zinc/02/47/44/632024744.db2.gz SPDHSRLCMFWHKO-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000816667066 632041530 /nfs/dbraw/zinc/04/15/30/632041530.db2.gz BWFGBTXQQQPKCP-HNNXBMFYSA-N 0 0 295.810 3.437 20 10 CGCDRN CC(C)(C)C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000817220671 632097091 /nfs/dbraw/zinc/09/70/91/632097091.db2.gz MDVOXSDIOYKSTC-VQHVLOKHSA-N 0 0 277.364 3.052 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000817415661 632146270 /nfs/dbraw/zinc/14/62/70/632146270.db2.gz WIBITRNOMNFKPP-VHSXEESVSA-N 0 0 287.762 3.232 20 10 CGCDRN CCc1cc(NC/C=C\c2ccc(N(C)C)cc2)nn1C ZINC000817710897 632204471 /nfs/dbraw/zinc/20/44/71/632204471.db2.gz STRWAHIEMRPPLW-SREVYHEPSA-N 0 0 284.407 3.174 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3CCC(=O)CC3)cc12 ZINC000817760737 632223236 /nfs/dbraw/zinc/22/32/36/632223236.db2.gz GQDWKVJDVGCPCP-UHFFFAOYSA-N 0 0 299.370 3.460 20 10 CGCDRN CC[C@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944569 632242123 /nfs/dbraw/zinc/24/21/23/632242123.db2.gz HAXOFCJCKMEDGQ-SKDRFNHKSA-N 0 0 289.206 3.102 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000817954808 632250507 /nfs/dbraw/zinc/25/05/07/632250507.db2.gz KGWYGMYITXWCEQ-MEBBXXQBSA-N 0 0 292.329 3.021 20 10 CGCDRN C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc(F)cc(F)c1[O-] ZINC000817957117 632252098 /nfs/dbraw/zinc/25/20/98/632252098.db2.gz JDPLCXNEOYIUNB-SNVBAGLBSA-N 0 0 292.329 3.146 20 10 CGCDRN COCCOc1ccccc1NC[C@H](O)CC1CCCC1 ZINC000819425759 632457803 /nfs/dbraw/zinc/45/78/03/632457803.db2.gz HYWGDNPRUVOKFN-OAHLLOKOSA-N 0 0 293.407 3.065 20 10 CGCDRN Cc1cc(C(=O)N2CCCOC2)c(C)n1-c1cccc(C)c1 ZINC000819745132 632506460 /nfs/dbraw/zinc/50/64/60/632506460.db2.gz RHGUKONUANBOIM-UHFFFAOYSA-N 0 0 298.386 3.223 20 10 CGCDRN CCC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC000820701731 632667076 /nfs/dbraw/zinc/66/70/76/632667076.db2.gz ZRPHCHAZWQRLEC-UHFFFAOYSA-N 0 0 288.351 3.159 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)no1 ZINC000820878641 632691424 /nfs/dbraw/zinc/69/14/24/632691424.db2.gz LPGGXAQFCDXMSU-UHFFFAOYSA-N 0 0 294.738 3.086 20 10 CGCDRN Cc1cc(C(F)(F)F)nc(N2Cc3cccc(O)c3C2)n1 ZINC000866117269 633003520 /nfs/dbraw/zinc/00/35/20/633003520.db2.gz JPJCXDSMIDOWIG-UHFFFAOYSA-N 0 0 295.264 3.030 20 10 CGCDRN C[C@H](Nc1ccnc(C2CC2)n1)c1ccccc1O ZINC000866236401 633037966 /nfs/dbraw/zinc/03/79/66/633037966.db2.gz ANQGBKINQBFVKX-JTQLQIEISA-N 0 0 255.321 3.233 20 10 CGCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823526380 633117798 /nfs/dbraw/zinc/11/77/98/633117798.db2.gz QHHLGLSNYQEHHI-IUODEOHRSA-N 0 0 288.351 3.013 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000866403104 633124174 /nfs/dbraw/zinc/12/41/74/633124174.db2.gz QRXAXDMIIWJZSJ-UWVGGRQHSA-N 0 0 287.375 3.464 20 10 CGCDRN CC1(C(=O)NCc2cc(Cl)ccc2O)CC(F)(F)C1 ZINC000824213485 633212424 /nfs/dbraw/zinc/21/24/24/633212424.db2.gz PNVBLWBFPXPKSA-UHFFFAOYSA-N 0 0 289.709 3.097 20 10 CGCDRN CC[C@H](CC(=O)NCc1ccc(O)c(O)c1)C(C)(C)C ZINC000866768733 633240750 /nfs/dbraw/zinc/24/07/50/633240750.db2.gz DSCVUCZNTMSGJT-GFCCVEGCSA-N 0 0 279.380 3.176 20 10 CGCDRN CCOc1ncc(C)cc1NCc1ccccc1O ZINC000824521673 633252419 /nfs/dbraw/zinc/25/24/19/633252419.db2.gz MDKAIVSOMJKOHX-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000824820252 633296584 /nfs/dbraw/zinc/29/65/84/633296584.db2.gz BXDNWWGNODCJBE-YMTOWFKASA-N 0 0 287.762 3.042 20 10 CGCDRN CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000824845624 633300496 /nfs/dbraw/zinc/30/04/96/633300496.db2.gz MORRGNCGLVPEIQ-UKRRQHHQSA-N 0 0 299.842 3.424 20 10 CGCDRN Cc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2O)cc1C ZINC000837144524 634862318 /nfs/dbraw/zinc/86/23/18/634862318.db2.gz KPKWGLNYQYATSR-UHFFFAOYSA-N 0 0 299.370 3.295 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000825130160 633331821 /nfs/dbraw/zinc/33/18/21/633331821.db2.gz OHNZOOKALRHVEF-SECBINFHSA-N 0 0 297.761 3.252 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000825284521 633342534 /nfs/dbraw/zinc/34/25/34/633342534.db2.gz NKESDPXFIKEFDE-CHWSQXEVSA-N 0 0 269.772 3.093 20 10 CGCDRN CC1(C)C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]2COC[C@@H]21 ZINC000825332301 633347312 /nfs/dbraw/zinc/34/73/12/633347312.db2.gz VIPRSYNDQHKYLN-CMPLNLGQSA-N 0 0 299.773 3.042 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C)n2C)cc1Cl ZINC000825468172 633357003 /nfs/dbraw/zinc/35/70/03/633357003.db2.gz IHDSLILZVTWMLM-UHFFFAOYSA-N 0 0 279.771 3.027 20 10 CGCDRN C[C@@H](NC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1O ZINC000868798331 633364522 /nfs/dbraw/zinc/36/45/22/633364522.db2.gz JCHSKXRJYKLRDS-SYQHCUMBSA-N 0 0 288.391 3.189 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCCC12CC2)c1ccccc1O ZINC000868848605 633371567 /nfs/dbraw/zinc/37/15/67/633371567.db2.gz XWNIGHMBJZCXLE-RISCZKNCSA-N 0 0 274.364 3.085 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2CC(F)(F)C2)c1 ZINC000825736542 633378140 /nfs/dbraw/zinc/37/81/40/633378140.db2.gz BYZOBTPOHXBZRN-SECBINFHSA-N 0 0 299.317 3.013 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC000825737224 633378823 /nfs/dbraw/zinc/37/88/23/633378823.db2.gz WENFXGPUJZFXKC-LALPHHSUSA-N 0 0 291.391 3.260 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCC(C)C)c1 ZINC000825737197 633379585 /nfs/dbraw/zinc/37/95/85/633379585.db2.gz VGWBUDHQCXTUOA-GFCCVEGCSA-N 0 0 279.380 3.404 20 10 CGCDRN C/C(=C/C(=O)N(CC1CC1)c1ccccc1)c1cnccn1 ZINC000826947561 633445728 /nfs/dbraw/zinc/44/57/28/633445728.db2.gz VCTLQRFYTCIANX-KAMYIIQDSA-N 0 0 293.370 3.323 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000827177989 633468465 /nfs/dbraw/zinc/46/84/65/633468465.db2.gz FBRXYMQJZVRUHI-HUUCEWRRSA-N 0 0 289.762 3.314 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCC[C@@H]1CCOC1 ZINC000827732302 633513023 /nfs/dbraw/zinc/51/30/23/633513023.db2.gz BHCWUYNVDGZXNP-CQSZACIVSA-N 0 0 275.392 3.265 20 10 CGCDRN COc1cccc(CCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827923687 633534940 /nfs/dbraw/zinc/53/49/40/633534940.db2.gz XOBQJBLOFHLGJW-CYBMUJFWSA-N 0 0 299.370 3.211 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1ccccc1O ZINC000827931106 633535946 /nfs/dbraw/zinc/53/59/46/633535946.db2.gz YGAMFHIDSRBFSD-IUODEOHRSA-N 0 0 297.354 3.136 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccc1O ZINC000827937340 633536808 /nfs/dbraw/zinc/53/68/08/633536808.db2.gz SPSLGOXGFPJYKC-PBOSXPJTSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000827936741 633536907 /nfs/dbraw/zinc/53/69/07/633536907.db2.gz CAIBAFYORYQRLH-UPJWGTAASA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)c1ccccc1OC1CC1)c1ccccc1O ZINC000827946721 633538819 /nfs/dbraw/zinc/53/88/19/633538819.db2.gz QGEKCUQPRYWWIR-GFCCVEGCSA-N 0 0 297.354 3.424 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000827952529 633539906 /nfs/dbraw/zinc/53/99/06/633539906.db2.gz WPBKZEYSLGRUFT-HNJNHCNJSA-N 0 0 299.345 3.454 20 10 CGCDRN 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CGCDRN COc1ncc(CNc2ccccc2NC(C)C)c(C)n1 ZINC000871845674 633890422 /nfs/dbraw/zinc/89/04/22/633890422.db2.gz HBLOGHNESKYHHS-UHFFFAOYSA-N 0 0 286.379 3.226 20 10 CGCDRN CCc1nnc(CNc2ccccc2NC(C)C)o1 ZINC000871847184 633892328 /nfs/dbraw/zinc/89/23/28/633892328.db2.gz NRAHPWCROGXZKG-UHFFFAOYSA-N 0 0 260.341 3.064 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@@H](C)CCC(=O)[O-])cc1C ZINC000871877996 633907177 /nfs/dbraw/zinc/90/71/77/633907177.db2.gz ARCHZSIZJRXLRU-ZDUSSCGKSA-N 0 0 279.380 3.127 20 10 CGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)ccc1O ZINC000846119067 636147329 /nfs/dbraw/zinc/14/73/29/636147329.db2.gz WSAIIDGCDDUWIM-ZDUSSCGKSA-N 0 0 297.370 3.083 20 10 CGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cccc(C)c1O ZINC000846118541 636147704 /nfs/dbraw/zinc/14/77/04/636147704.db2.gz PCJVYNABOSCYHR-AWEZNQCLSA-N 0 0 293.407 3.253 20 10 CGCDRN CC(C)(C)c1nc(-c2nc(Cc3ccc(N)cc3)no2)co1 ZINC000872171894 634076707 /nfs/dbraw/zinc/07/67/07/634076707.db2.gz YEFLIQWPFIPMDR-UHFFFAOYSA-N 0 0 298.346 3.195 20 10 CGCDRN CC(C)(CCNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000832920210 634104431 /nfs/dbraw/zinc/10/44/31/634104431.db2.gz YMZJGHCQDVPRAJ-UHFFFAOYSA-N 0 0 253.367 3.010 20 10 CGCDRN Cc1cc(C(=O)N2CC[C@@H]2C2CC2)c(C)n1-c1ccccn1 ZINC000833690315 634125205 /nfs/dbraw/zinc/12/52/05/634125205.db2.gz OXOIUONTKJIFJW-MRXNPFEDSA-N 0 0 295.386 3.114 20 10 CGCDRN CC(C)n1cc(NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000124173205 634180847 /nfs/dbraw/zinc/18/08/47/634180847.db2.gz IIUMQHGZSJDOAA-UHFFFAOYSA-N 0 0 276.359 3.281 20 10 CGCDRN O=C(N[C@@H]1CCSC2(CCC2)C1)C1=CC(=O)CS1 ZINC000834725434 634230066 /nfs/dbraw/zinc/23/00/66/634230066.db2.gz KUICTMXEOVXNTP-SECBINFHSA-N 0 0 283.418 3.002 20 10 CGCDRN CN(C)c1ccc(/C=C\CNCC(F)(F)C(F)F)cc1 ZINC000835049501 634335486 /nfs/dbraw/zinc/33/54/86/634335486.db2.gz GPWRRIIYIXSDOB-ARJAWSKDSA-N 0 0 290.304 3.256 20 10 CGCDRN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(N)cc2)o1 ZINC000837303312 634882578 /nfs/dbraw/zinc/88/25/78/634882578.db2.gz GFPRMMFLVVVHBE-MLGOLLRUSA-N 0 0 298.386 3.234 20 10 CGCDRN Cc1nc(C(C)C)sc1C(=O)NCc1ccc(N)cc1 ZINC000837303488 634883092 /nfs/dbraw/zinc/88/30/92/634883092.db2.gz SDHFOEZLRIURDP-UHFFFAOYSA-N 0 0 289.404 3.087 20 10 CGCDRN CC[C@H](CC(F)F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000837321183 634885851 /nfs/dbraw/zinc/88/58/51/634885851.db2.gz QVMKCIAOGHXCKV-CYBMUJFWSA-N 0 0 298.377 3.392 20 10 CGCDRN Cc1ccc([C@@H]2COCCN2Cc2ccc(C)cc2O)o1 ZINC000876744888 634890946 /nfs/dbraw/zinc/89/09/46/634890946.db2.gz ZWNKSCAFOCHPTP-HNNXBMFYSA-N 0 0 287.359 3.176 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(O[C@@H]2CCOC2)cc1 ZINC000876827169 634910031 /nfs/dbraw/zinc/91/00/31/634910031.db2.gz LDXIMHNDGBSKMH-MRXNPFEDSA-N 0 0 299.370 3.480 20 10 CGCDRN COc1cc(OC)c(NCc2c(C)cccc2O)cc1F ZINC000876867639 634917007 /nfs/dbraw/zinc/91/70/07/634917007.db2.gz IDQYQFQMUAMRMQ-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN CC(C)C[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000837587999 634942568 /nfs/dbraw/zinc/94/25/68/634942568.db2.gz OCLSDNISQVICAC-OKPNEXGHSA-N 0 0 264.321 3.089 20 10 CGCDRN [O-]c1c(C[NH2+]C2(c3ccccc3)CC2)ccc(F)c1F ZINC000877010139 634948968 /nfs/dbraw/zinc/94/89/68/634948968.db2.gz MSQUUMSHUXJGKK-UHFFFAOYSA-N 0 0 275.298 3.449 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCc3c2cccc3O)ccc(F)c1F ZINC000877023907 634953826 /nfs/dbraw/zinc/95/38/26/634953826.db2.gz JRMFIJWSFDMGFU-ZDUSSCGKSA-N 0 0 291.297 3.153 20 10 CGCDRN Cc1nc(C)c(CC[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877027431 634954268 /nfs/dbraw/zinc/95/42/68/634954268.db2.gz NNAIGQZRARALPJ-UHFFFAOYSA-N 0 0 298.358 3.076 20 10 CGCDRN C[C@](CO)([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCCCC1 ZINC000877050616 634963262 /nfs/dbraw/zinc/96/32/62/634963262.db2.gz HZFBPMIVZQLUKV-MRXNPFEDSA-N 0 0 299.361 3.091 20 10 CGCDRN CCc1cnc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877071282 634971677 /nfs/dbraw/zinc/97/16/77/634971677.db2.gz IUYARRWCKMZBEA-UHFFFAOYSA-N 0 0 298.358 3.022 20 10 CGCDRN CN(C(=O)C1CCc2ccccc2CC1)c1ccc(N)cc1 ZINC000877074311 634972555 /nfs/dbraw/zinc/97/25/55/634972555.db2.gz GKWMNUONQAOOSA-UHFFFAOYSA-N 0 0 294.398 3.427 20 10 CGCDRN CCOc1cccc(CCC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877075041 634972767 /nfs/dbraw/zinc/97/27/67/634972767.db2.gz ZAACDGSPTHLXNB-UHFFFAOYSA-N 0 0 298.386 3.263 20 10 CGCDRN Cc1ccccc1CO[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074199 634972986 /nfs/dbraw/zinc/97/29/86/634972986.db2.gz BUGDGJBMBGTIDQ-AWEZNQCLSA-N 0 0 298.386 3.145 20 10 CGCDRN C[C@H](COCC(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877075268 634973777 /nfs/dbraw/zinc/97/37/77/634973777.db2.gz BQOHIISGHYXIAE-CQSZACIVSA-N 0 0 298.386 3.052 20 10 CGCDRN CN(C(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccc(N)cc1 ZINC000877076643 634974901 /nfs/dbraw/zinc/97/49/01/634974901.db2.gz SFYSESGUUJZQCE-HZPDHXFCSA-N 0 0 272.392 3.448 20 10 CGCDRN CCS[C@@H](C(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877078269 634975857 /nfs/dbraw/zinc/97/58/57/634975857.db2.gz KIWCAWQKXPFVCV-CYBMUJFWSA-N 0 0 266.410 3.009 20 10 CGCDRN CC(C)(C)CC(C)(C)NC(=O)c1cccc(O)c1O ZINC000126350260 634985599 /nfs/dbraw/zinc/98/55/99/634985599.db2.gz QSVLILSFCZVRCM-UHFFFAOYSA-N 0 0 265.353 3.042 20 10 CGCDRN Cc1ccsc1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877132686 634996892 /nfs/dbraw/zinc/99/68/92/634996892.db2.gz KLWKZZKTGNDLQF-UHFFFAOYSA-N 0 0 283.343 3.373 20 10 CGCDRN CN(Cc1ccc(C(F)F)nc1)c1ccc2c(c1)OCO2 ZINC000877180016 635007997 /nfs/dbraw/zinc/00/79/97/635007997.db2.gz MWMMXRCLQNMROZ-UHFFFAOYSA-N 0 0 292.285 3.384 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@H](C3CCC3)CC2)cc1 ZINC000877223326 635014023 /nfs/dbraw/zinc/01/40/23/635014023.db2.gz DWZOTNKLPDDQGD-INIZCTEOSA-N 0 0 286.419 3.240 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN(CCO)c1ccccc1 ZINC000840939654 635086789 /nfs/dbraw/zinc/08/67/89/635086789.db2.gz OITLJJKSNFTMTL-UHFFFAOYSA-N 0 0 284.403 3.060 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cn(C)nc1C1CC1 ZINC000840948377 635089764 /nfs/dbraw/zinc/08/97/64/635089764.db2.gz UEXTVFHRURVDLR-UHFFFAOYSA-N 0 0 284.407 3.284 20 10 CGCDRN Cc1cccc(O)c1CN1CC(C)(C)[C@H]1c1nccn1C ZINC000877559968 635090735 /nfs/dbraw/zinc/09/07/35/635090735.db2.gz BPNZIUHMQNFHBG-OAHLLOKOSA-N 0 0 285.391 3.017 20 10 CGCDRN CCCC[C@@H](CN)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841030290 635109189 /nfs/dbraw/zinc/10/91/89/635109189.db2.gz VYYBTYWSHJZJHE-NSHDSACASA-N 0 0 291.222 3.306 20 10 CGCDRN COc1ccc(CC[C@@H](C)Nc2ccc(N)cc2)cc1O ZINC000841040365 635112099 /nfs/dbraw/zinc/11/20/99/635112099.db2.gz KYVNOTIDMWPIGR-GFCCVEGCSA-N 0 0 286.375 3.416 20 10 CGCDRN Cc1ccc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c(O)c1 ZINC000877651152 635132520 /nfs/dbraw/zinc/13/25/20/635132520.db2.gz WFJDYXOTVMRTOJ-VXGBXAGGSA-N 0 0 269.335 3.424 20 10 CGCDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841296476 635148265 /nfs/dbraw/zinc/14/82/65/635148265.db2.gz SZKCEWKXGJTLFL-WBMJQRKESA-N 0 0 296.374 3.279 20 10 CGCDRN Nc1ccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000841300904 635149375 /nfs/dbraw/zinc/14/93/75/635149375.db2.gz WILNSLJBPQCWPC-HUUCEWRRSA-N 0 0 273.380 3.359 20 10 CGCDRN CO[C@H](C[N@@H+]1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000877702618 635153888 /nfs/dbraw/zinc/15/38/88/635153888.db2.gz DYKZDUIRHYMGJK-QGZVFWFLSA-N 0 0 275.392 3.303 20 10 CGCDRN Cc1ccc(CN2Cc3ccccc3NC(=O)[C@@H]2C)c(O)c1 ZINC000877706636 635156951 /nfs/dbraw/zinc/15/69/51/635156951.db2.gz PFNQRWIEKQZDPW-ZDUSSCGKSA-N 0 0 296.370 3.043 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000877727597 635165030 /nfs/dbraw/zinc/16/50/30/635165030.db2.gz CMVSVLQFQGRYCD-ZDUSSCGKSA-N 0 0 295.810 3.342 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877739385 635174036 /nfs/dbraw/zinc/17/40/36/635174036.db2.gz SBEOAAUJJGPGMU-NWDGAFQWSA-N 0 0 283.824 3.231 20 10 CGCDRN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CC1(C)C ZINC000841452154 635177596 /nfs/dbraw/zinc/17/75/96/635177596.db2.gz ZCMFYFIFLJZGFH-BZGOVLQXSA-N 0 0 289.375 3.052 20 10 CGCDRN CCCC[C@@H](CC)CNC(=O)NCCc1ccc(N)cc1 ZINC000841610999 635196458 /nfs/dbraw/zinc/19/64/58/635196458.db2.gz WTMUBYJQMZYLSP-CQSZACIVSA-N 0 0 291.439 3.327 20 10 CGCDRN CS[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841751147 635225059 /nfs/dbraw/zinc/22/50/59/635225059.db2.gz LNVLEGMTOYEBMS-DTWKUNHWSA-N 0 0 259.802 3.448 20 10 CGCDRN CCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])COC1 ZINC000841753319 635227583 /nfs/dbraw/zinc/22/75/83/635227583.db2.gz GQFHEUHJESFNQE-SNVBAGLBSA-N 0 0 269.772 3.123 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(Cl)cc1[O-] ZINC000841757693 635231535 /nfs/dbraw/zinc/23/15/35/635231535.db2.gz PFJRBQNMMFANCW-VHSXEESVSA-N 0 0 271.788 3.246 20 10 CGCDRN CC1(C)CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841954563 635251703 /nfs/dbraw/zinc/25/17/03/635251703.db2.gz OAVKKJOIWBLKGU-UHFFFAOYSA-N 0 0 289.423 3.033 20 10 CGCDRN CCC(CC)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841958202 635253160 /nfs/dbraw/zinc/25/31/60/635253160.db2.gz ORTALTZLMVJHFU-UHFFFAOYSA-N 0 0 289.423 3.174 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2cc(C3CC3)n(C)n2)cc1 ZINC000842211298 635311174 /nfs/dbraw/zinc/31/11/74/635311174.db2.gz PGABMHNYTRETLZ-PLNGDYQASA-N 0 0 296.418 3.489 20 10 CGCDRN COC(=O)c1cnc(SCC2=CCCC2)s1 ZINC000842579804 635408482 /nfs/dbraw/zinc/40/84/82/635408482.db2.gz BSUNPNPFYIHCQI-UHFFFAOYSA-N 0 0 255.364 3.132 20 10 CGCDRN CC[C@H](N[C@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000842926006 635513674 /nfs/dbraw/zinc/51/36/74/635513674.db2.gz OKRACEJQWNDRAI-OCCSQVGLSA-N 0 0 293.407 3.472 20 10 CGCDRN Cc1conc1CN(C)c1ccc(OC(C)C)cc1 ZINC000878512848 635538400 /nfs/dbraw/zinc/53/84/00/635538400.db2.gz SCHZAGGPXXITMM-UHFFFAOYSA-N 0 0 260.337 3.407 20 10 CGCDRN CC[C@@H](SC)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158365 635587664 /nfs/dbraw/zinc/58/76/64/635587664.db2.gz CBJPKJBUOUOCOV-LLVKDONJSA-N 0 0 263.366 3.057 20 10 CGCDRN CCC1(c2nc(Cc3ccc(N)cc3)no2)CCCC1 ZINC000843159252 635588938 /nfs/dbraw/zinc/58/89/38/635588938.db2.gz NSRINBJHAGTFIR-UHFFFAOYSA-N 0 0 271.364 3.464 20 10 CGCDRN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843426770 635671409 /nfs/dbraw/zinc/67/14/09/635671409.db2.gz ACOMLLAQKJLLNQ-CABZTGNLSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@H](NC(=O)c1cnc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000879538967 635806447 /nfs/dbraw/zinc/80/64/47/635806447.db2.gz NRWHHDKUCMGDGU-NSHDSACASA-N 0 0 299.374 3.109 20 10 CGCDRN CCc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648233 635825459 /nfs/dbraw/zinc/82/54/59/635825459.db2.gz FWOSRWJDKKACIH-CYBMUJFWSA-N 0 0 298.386 3.244 20 10 CGCDRN COC(=O)[C@H](N[C@H](C)c1ccccc1O)c1ccsc1 ZINC000879649486 635826418 /nfs/dbraw/zinc/82/64/18/635826418.db2.gz UPQNTYPLMTYZHY-QMTHXVAHSA-N 0 0 291.372 3.019 20 10 CGCDRN CCOC(=O)[C@H](CC(C)C)N[C@H](C)c1ccccc1O ZINC000879649310 635826639 /nfs/dbraw/zinc/82/66/39/635826639.db2.gz NADQIAVDTXZCBW-OCCSQVGLSA-N 0 0 279.380 3.021 20 10 CGCDRN O=C(NC[C@@H]1CC2CCC1CC2)C1=CC(=O)CS1 ZINC000844147455 635827607 /nfs/dbraw/zinc/82/76/07/635827607.db2.gz QHHXUSBICICXBB-ILDUYXDCSA-N 0 0 265.378 3.010 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cc3n(n2)CCC3)cc1 ZINC000844319782 635868903 /nfs/dbraw/zinc/86/89/03/635868903.db2.gz FJNUZEUTEJYODF-UHFFFAOYSA-N 0 0 285.391 3.253 20 10 CGCDRN COc1ccc(N(C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1 ZINC000844352649 635877454 /nfs/dbraw/zinc/87/74/54/635877454.db2.gz AMGSASXBQMJBEL-AWEZNQCLSA-N 0 0 292.423 3.024 20 10 CGCDRN COc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)cc1 ZINC000844352650 635877527 /nfs/dbraw/zinc/87/75/27/635877527.db2.gz AMGSASXBQMJBEL-CQSZACIVSA-N 0 0 292.423 3.024 20 10 CGCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)cc2)s1 ZINC000844352829 635877744 /nfs/dbraw/zinc/87/77/44/635877744.db2.gz JWIJWTUZFUQMBB-UHFFFAOYSA-N 0 0 291.372 3.180 20 10 CGCDRN COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2F)cc1 ZINC000844353545 635878979 /nfs/dbraw/zinc/87/89/79/635878979.db2.gz RFWUYZXRKUWOGD-INIZCTEOSA-N 0 0 293.313 3.143 20 10 CGCDRN COc1cccc(CNC(=O)c2ccc(Cl)s2)c1O ZINC000105652821 635976772 /nfs/dbraw/zinc/97/67/72/635976772.db2.gz SMFFQTODMXKXBK-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845133432 636009521 /nfs/dbraw/zinc/00/95/21/636009521.db2.gz OAJMSPDDFXWCBE-BXKDBHETSA-N 0 0 282.771 3.033 20 10 CGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000128476690 636013608 /nfs/dbraw/zinc/01/36/08/636013608.db2.gz VIXOWMMVFQVJPC-KOLCDFICSA-N 0 0 284.197 3.433 20 10 CGCDRN CO[C@@H](C)c1nsc(NCc2cc(Cl)ccc2O)n1 ZINC000845708553 636083776 /nfs/dbraw/zinc/08/37/76/636083776.db2.gz GRYJJGDKKVMSGC-ZETCQYMHSA-N 0 0 299.783 3.217 20 10 CGCDRN Cc1nc(C)c(C)c(NCc2cc(Cl)ccc2O)n1 ZINC000845709585 636084489 /nfs/dbraw/zinc/08/44/89/636084489.db2.gz VPZQBIDVPVQVSA-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN C[C@H]1CCC[C@@]1(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475315 636187844 /nfs/dbraw/zinc/18/78/44/636187844.db2.gz BYWGYGYJYWLJQZ-ZUZCIYMTSA-N 0 0 281.783 3.488 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1ccoc1C1CC1 ZINC000846474664 636187900 /nfs/dbraw/zinc/18/79/00/636187900.db2.gz YVRYDWMMMYAEOP-UHFFFAOYSA-N 0 0 291.734 3.446 20 10 CGCDRN COc1ccc(O)c(CNC(=O)c2cccc(C3CC3)c2)c1 ZINC000847591058 636401047 /nfs/dbraw/zinc/40/10/47/636401047.db2.gz OJRJFKKGUJONNL-UHFFFAOYSA-N 0 0 297.354 3.208 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883078718 636531318 /nfs/dbraw/zinc/53/13/18/636531318.db2.gz AVFFDNUOOWGJAL-JSGCOSHPSA-N 0 0 299.361 3.354 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883084461 636535580 /nfs/dbraw/zinc/53/55/80/636535580.db2.gz RWTMAQZDVYOBRW-ZIAGYGMSSA-N 0 0 299.361 3.354 20 10 CGCDRN CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883134802 636552239 /nfs/dbraw/zinc/55/22/39/636552239.db2.gz JRERWDQHJLVYDZ-NHYWBVRUSA-N 0 0 299.361 3.211 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2CC2CCCC2)cc1 ZINC000848443721 636578265 /nfs/dbraw/zinc/57/82/65/636578265.db2.gz ZJMBUPPWOMMBIE-KRWDZBQOSA-N 0 0 286.419 3.383 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1[O-] ZINC000848569244 636611305 /nfs/dbraw/zinc/61/13/05/636611305.db2.gz YBFKZICRLXPMPG-RCBQFDQVSA-N 0 0 292.398 3.199 20 10 CGCDRN COc1c(C)nc(C2CC2)nc1N(C)Cc1ccccc1O ZINC000848674337 636633006 /nfs/dbraw/zinc/63/30/06/636633006.db2.gz BPMXGCKDGONXLF-UHFFFAOYSA-N 0 0 299.374 3.013 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883370468 636712762 /nfs/dbraw/zinc/71/27/62/636712762.db2.gz LZIXMIWADQSONG-HIFRSBDPSA-N 0 0 299.773 3.376 20 10 CGCDRN COc1ccc(N(C)Cc2ccncc2Cl)c(OC)c1 ZINC000131739543 636744194 /nfs/dbraw/zinc/74/41/94/636744194.db2.gz QZYLOHYOTAPNKW-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294785 636750165 /nfs/dbraw/zinc/75/01/65/636750165.db2.gz PDXIAWPUPWFEMS-YOEHRIQHSA-N 0 0 286.419 3.195 20 10 CGCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)NC1CCCC1 ZINC000849999037 636924245 /nfs/dbraw/zinc/92/42/45/636924245.db2.gz VRLRISVQYVEERC-ZETCQYMHSA-N 0 0 290.841 3.336 20 10 CGCDRN CC(C)(C)CCNC(=O)CSc1ncc(Cl)s1 ZINC000849998250 636924283 /nfs/dbraw/zinc/92/42/83/636924283.db2.gz CMGXVRQPDJHENL-UHFFFAOYSA-N 0 0 292.857 3.441 20 10 CGCDRN CCCCNC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999762 636924800 /nfs/dbraw/zinc/92/48/00/636924800.db2.gz XLQULEHHMBDWFB-SSDOTTSWSA-N 0 0 278.830 3.193 20 10 CGCDRN Oc1ccccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000134289472 637013053 /nfs/dbraw/zinc/01/30/53/637013053.db2.gz YXCYSAIXXCFLTR-UHFFFAOYSA-N 0 0 252.317 3.163 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(Cl)c1[O-] ZINC000850490226 637088544 /nfs/dbraw/zinc/08/85/44/637088544.db2.gz XROPMBBXCDHDMU-KBPBESRZSA-N 0 0 283.799 3.247 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCCF)cc12 ZINC000851092075 637253187 /nfs/dbraw/zinc/25/31/87/637253187.db2.gz HMRZCFHSDXOLLF-UHFFFAOYSA-N 0 0 263.312 3.450 20 10 CGCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000136488317 637385551 /nfs/dbraw/zinc/38/55/51/637385551.db2.gz AFJYGJNUABSAQS-UHFFFAOYSA-N 0 0 291.372 3.064 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1cccc(F)c1 ZINC000136942191 637411246 /nfs/dbraw/zinc/41/12/46/637411246.db2.gz JOXFXIDVUPYKRF-MDZDMXLPSA-N 0 0 285.318 3.203 20 10 CGCDRN COc1ccc(N(C)C[C@H](OC)C2CCCC2)cc1OC ZINC000851734593 637484009 /nfs/dbraw/zinc/48/40/09/637484009.db2.gz INXDPQXSJYTEHE-KRWDZBQOSA-N 0 0 293.407 3.345 20 10 CGCDRN C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1c([O-])cccc1F ZINC000886489144 637539477 /nfs/dbraw/zinc/53/94/77/637539477.db2.gz AWLRNROHOVEQJX-WCQYABFASA-N 0 0 292.354 3.078 20 10 CGCDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886509074 637545453 /nfs/dbraw/zinc/54/54/53/637545453.db2.gz ZPSBTPSXJDVTLO-MLGOLLRUSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1nc(CC[NH2+][C@H](C)c2c([O-])cccc2F)sc1C ZINC000886540418 637566093 /nfs/dbraw/zinc/56/60/93/637566093.db2.gz DUUMDZCYOIKRSI-SNVBAGLBSA-N 0 0 294.395 3.498 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886550240 637575742 /nfs/dbraw/zinc/57/57/42/637575742.db2.gz VNQMIECCQIWKAA-LLVKDONJSA-N 0 0 299.411 3.094 20 10 CGCDRN Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886549115 637576268 /nfs/dbraw/zinc/57/62/68/637576268.db2.gz BTCMDXCWQWMSMN-JQWIXIFHSA-N 0 0 295.379 3.285 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@H]1CCCO1 ZINC000886557135 637579851 /nfs/dbraw/zinc/57/98/51/637579851.db2.gz ULCXINIKFASXGZ-SCDSUCTJSA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886561917 637582870 /nfs/dbraw/zinc/58/28/70/637582870.db2.gz MLVSNRKTZPFLPQ-ZJUUUORDSA-N 0 0 257.374 3.324 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000886576997 637588186 /nfs/dbraw/zinc/58/81/86/637588186.db2.gz UZYVHVVAJIIXEM-BDAKNGLRSA-N 0 0 259.271 3.370 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](C)c1c(O)cccc1F ZINC000886579192 637590552 /nfs/dbraw/zinc/59/05/52/637590552.db2.gz CGOYQBYSGWNWLB-VIFPVBQESA-N 0 0 263.316 3.000 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886603316 637599861 /nfs/dbraw/zinc/59/98/61/637599861.db2.gz LHIAPVRVBLJXKK-SNVBAGLBSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1c([O-])cccc1F ZINC000886614523 637606839 /nfs/dbraw/zinc/60/68/39/637606839.db2.gz ZTGAGVNURRZEOF-MRVPVSSYSA-N 0 0 259.271 3.227 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000886623426 637614626 /nfs/dbraw/zinc/61/46/26/637614626.db2.gz DCMSTRBBRXRESH-NWDGAFQWSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1c([O-])cccc1F ZINC000886626706 637616596 /nfs/dbraw/zinc/61/65/96/637616596.db2.gz JCTRYJMQKYYCEG-ABAIWWIYSA-N 0 0 287.334 3.453 20 10 CGCDRN CCC[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)OCC ZINC000886641820 637624561 /nfs/dbraw/zinc/62/45/61/637624561.db2.gz SNJMLLKFSYFEQH-RYUDHWBXSA-N 0 0 269.360 3.387 20 10 CGCDRN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886650639 637630274 /nfs/dbraw/zinc/63/02/74/637630274.db2.gz ZZFUVRDFGABYLE-ONGXEEELSA-N 0 0 275.327 3.042 20 10 CGCDRN COCC(C)(C)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886649770 637630353 /nfs/dbraw/zinc/63/03/53/637630353.db2.gz IILDDTNEKCOSNW-LLVKDONJSA-N 0 0 269.360 3.245 20 10 CGCDRN CC1(C)CC(NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000852697494 637696861 /nfs/dbraw/zinc/69/68/61/637696861.db2.gz DOUCBOTVLVMREQ-UHFFFAOYSA-N 0 0 282.771 3.033 20 10 CGCDRN Nc1ccc(CCNC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 ZINC000852796603 637715044 /nfs/dbraw/zinc/71/50/44/637715044.db2.gz GPBAKPAEWZELOX-HZPDHXFCSA-N 0 0 286.419 3.144 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCCOC(F)F ZINC000853014750 637732840 /nfs/dbraw/zinc/73/28/40/637732840.db2.gz CPCZSMBRKMBDLM-UHFFFAOYSA-N 0 0 284.331 3.418 20 10 CGCDRN CCNc1nccnc1NCc1ccc(N2CCCC2)cc1 ZINC000853159159 637773112 /nfs/dbraw/zinc/77/31/12/637773112.db2.gz CNOCESQEGOQGQS-UHFFFAOYSA-N 0 0 297.406 3.121 20 10 CGCDRN Cc1cc(CO)cc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000853160791 637775050 /nfs/dbraw/zinc/77/50/50/637775050.db2.gz ZTFNPNRIWHEYQQ-UHFFFAOYSA-N 0 0 297.402 3.095 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000853736419 637905305 /nfs/dbraw/zinc/90/53/05/637905305.db2.gz ALWZLDYUVGFLSC-NSHDSACASA-N 0 0 294.395 3.025 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2nccs2)c1 ZINC000112733866 638113581 /nfs/dbraw/zinc/11/35/81/638113581.db2.gz DWOWXEVIHDCGHC-QMMMGPOBSA-N 0 0 250.323 3.030 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2nccs2)c1 ZINC000112733869 638114332 /nfs/dbraw/zinc/11/43/32/638114332.db2.gz DWOWXEVIHDCGHC-MRVPVSSYSA-N 0 0 250.323 3.030 20 10 CGCDRN Cc1cc(F)ccc1C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000855277646 638163216 /nfs/dbraw/zinc/16/32/16/638163216.db2.gz HDJJCRHHESGSFA-SNVBAGLBSA-N 0 0 293.363 3.262 20 10 CGCDRN CC1(C)CCN(C(=O)c2cccc(O)c2O)CC(C)(C)C1 ZINC000855690986 638234627 /nfs/dbraw/zinc/23/46/27/638234627.db2.gz WNWDYTSVTOVYTI-UHFFFAOYSA-N 0 0 291.391 3.386 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)C2CCC(F)CC2)c(O)c1O ZINC000856080823 638296816 /nfs/dbraw/zinc/29/68/16/638296816.db2.gz PNFDLGLYRKWGIT-UNXYVOJBSA-N 0 0 295.354 3.053 20 10 CGCDRN Cc1ccc(F)c(CC(=O)N(C)Cc2ccccc2O)c1 ZINC000857466662 638508827 /nfs/dbraw/zinc/50/88/27/638508827.db2.gz CCBKWKPQPLIIFF-UHFFFAOYSA-N 0 0 287.334 3.041 20 10 CGCDRN Cc1cccc(CC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115280150 638513137 /nfs/dbraw/zinc/51/31/37/638513137.db2.gz KMHSWIJNYGIPQM-UHFFFAOYSA-N 0 0 296.414 3.228 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCCCC1 ZINC000115855496 638626938 /nfs/dbraw/zinc/62/69/38/638626938.db2.gz HYWSCJGALMXBNV-UHFFFAOYSA-N 0 0 289.423 3.147 20 10 CGCDRN Cc1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858101664 638628323 /nfs/dbraw/zinc/62/83/23/638628323.db2.gz WBZUDXYHDVCRAD-UHFFFAOYSA-N 0 0 277.318 3.346 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC2)ccc1C ZINC000858173501 638649424 /nfs/dbraw/zinc/64/94/24/638649424.db2.gz CWCKMEJGWSLEOV-UHFFFAOYSA-N 0 0 296.370 3.061 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCCCC2)c1 ZINC000858245647 638662823 /nfs/dbraw/zinc/66/28/23/638662823.db2.gz LAOCCXAWZSNOSA-ZDUSSCGKSA-N 0 0 290.407 3.469 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000858271961 638669874 /nfs/dbraw/zinc/66/98/74/638669874.db2.gz QDGYTDSVFNNJRF-GFCCVEGCSA-N 0 0 276.336 3.136 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Cl)cc1[O-] ZINC000926935965 638827394 /nfs/dbraw/zinc/82/73/94/638827394.db2.gz LJKIMWRMVBZHIZ-FMSGJZPZSA-N 0 0 293.794 3.287 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000927070793 638837856 /nfs/dbraw/zinc/83/78/56/638837856.db2.gz VEAQKVSKODNADF-PPHDSNJXSA-N 0 0 293.382 3.387 20 10 CGCDRN O=C(CCC1CCCC1)NCc1c(O)cccc1F ZINC000928710461 638889824 /nfs/dbraw/zinc/88/98/24/638889824.db2.gz SOTWAJONMJQLRS-UHFFFAOYSA-N 0 0 265.328 3.118 20 10 CGCDRN Cc1cn(C)nc1CN(C)c1ccc(-c2nccs2)cc1 ZINC000930710294 639057796 /nfs/dbraw/zinc/05/77/96/639057796.db2.gz QOTTULVYHFYMRI-UHFFFAOYSA-N 0 0 298.415 3.488 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC/C=C\c1ccccc1 ZINC000116794180 639151487 /nfs/dbraw/zinc/15/14/87/639151487.db2.gz GRZQNEYQRVPNRY-RGSRAZRCSA-N 0 0 296.322 3.368 20 10 CGCDRN O=C(C[C@H]1CC=CCC1)NCCCSc1nccs1 ZINC000932686117 639373781 /nfs/dbraw/zinc/37/37/81/639373781.db2.gz DODQSGCEGOHFFX-LBPRGKRZSA-N 0 0 296.461 3.488 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)C=CCC1 ZINC000932944651 639403679 /nfs/dbraw/zinc/40/36/79/639403679.db2.gz ZNNZEGKJHROJDM-QGZVFWFLSA-N 0 0 272.392 3.034 20 10 CGCDRN CCCC[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862026358 639634858 /nfs/dbraw/zinc/63/48/58/639634858.db2.gz LTTVUQQQIRXRAD-GFCCVEGCSA-N 0 0 286.375 3.383 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@]12C[C@H]1CCC2 ZINC000934945776 639721862 /nfs/dbraw/zinc/72/18/62/639721862.db2.gz TXCAWSPNHPVAQG-FZKQIMNGSA-N 0 0 285.387 3.077 20 10 CGCDRN Cc1cc(C)c(OCC(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000040677932 639895893 /nfs/dbraw/zinc/89/58/93/639895893.db2.gz MOHYTRYWWQUJRH-UHFFFAOYSA-N 0 0 284.359 3.212 20 10 CGCDRN CC[C@H](Sc1nccs1)C(=O)NCc1ccccc1 ZINC000048875358 640075574 /nfs/dbraw/zinc/07/55/74/640075574.db2.gz JMKLGUXLEJGXJM-LBPRGKRZSA-N 0 0 292.429 3.330 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CC(=O)N(C)Cc1ccccc1O ZINC000187681742 640093074 /nfs/dbraw/zinc/09/30/74/640093074.db2.gz ROIJSVOHRNREDG-CHWSQXEVSA-N 0 0 261.365 3.177 20 10 CGCDRN CC(C)Oc1ccccc1NC(=O)c1cccc(O)c1O ZINC000188189455 640124995 /nfs/dbraw/zinc/12/49/95/640124995.db2.gz ODUJQDBUJSXRJL-UHFFFAOYSA-N 0 0 287.315 3.137 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccc[nH]1 ZINC000188404399 640135139 /nfs/dbraw/zinc/13/51/39/640135139.db2.gz XIMPWIBLLKWVJF-MDZDMXLPSA-N 0 0 284.359 3.172 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCOCC(F)(F)F)cc1 ZINC000191600206 640321502 /nfs/dbraw/zinc/32/15/02/640321502.db2.gz DPEWEOVMTAJPHW-UHFFFAOYSA-N 0 0 291.313 3.489 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C(C2CC2)C2CC2)c1[O-] ZINC000079406483 640399887 /nfs/dbraw/zinc/39/98/87/640399887.db2.gz GIJZLIBKWVERAJ-UHFFFAOYSA-N 0 0 291.366 3.354 20 10 CGCDRN CC(C)Oc1ccc(N(C)CCO[C@@H]2CCCCO2)cc1 ZINC000193131797 640433875 /nfs/dbraw/zinc/43/38/75/640433875.db2.gz JXPDCEDJCVNWIR-QGZVFWFLSA-N 0 0 293.407 3.453 20 10 CGCDRN Cc1cc(O)c(CN2CCO[C@@H](C(F)F)C2)cc1C(C)C ZINC000193437563 640458350 /nfs/dbraw/zinc/45/83/50/640458350.db2.gz ODWYFOJEJRWJAE-OAHLLOKOSA-N 0 0 299.361 3.290 20 10 CGCDRN CCOc1ccc(N(C)Cc2nc(C)cs2)cc1 ZINC000088601301 640620515 /nfs/dbraw/zinc/62/05/15/640620515.db2.gz GHYWVYKXJDCYNZ-UHFFFAOYSA-N 0 0 262.378 3.487 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)COC2 ZINC000092165610 640731677 /nfs/dbraw/zinc/73/16/77/640731677.db2.gz NXZDZTISOSKWMM-UHFFFAOYSA-N 0 0 298.342 3.086 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000092487145 640737166 /nfs/dbraw/zinc/73/71/66/640737166.db2.gz UPPGBMOENXYHHQ-GWCFXTLKSA-N 0 0 269.772 3.045 20 10 CGCDRN Nc1ccc(NC(=O)/C=C/c2ccccc2F)cc1 ZINC000253456459 640886347 /nfs/dbraw/zinc/88/63/47/640886347.db2.gz BQFMFVBNLSWYQD-BJMVGYQFSA-N 0 0 256.280 3.060 20 10 CGCDRN CN(C)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC001250468940 805636024 /nfs/dbraw/zinc/63/60/24/805636024.db2.gz UMAPKRRLGJEYAJ-UHFFFAOYSA-N 0 0 281.315 3.025 20 10 CGCDRN C[C@@H](CC1CCCCC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001156742914 805729346 /nfs/dbraw/zinc/72/93/46/805729346.db2.gz UFNIVZTYZROVTA-LBPRGKRZSA-N 0 0 291.391 3.115 20 10 CGCDRN Cc1cc(F)cnc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156924040 805753046 /nfs/dbraw/zinc/75/30/46/805753046.db2.gz MFTWDNYTZVZJLQ-UHFFFAOYSA-N 0 0 273.355 3.232 20 10 CGCDRN C=Cc1ccc(N(C)Cc2ccc(N(C)C)cc2)nc1 ZINC001156920729 805753219 /nfs/dbraw/zinc/75/32/19/805753219.db2.gz JXRTYLTVBHBULX-UHFFFAOYSA-N 0 0 267.376 3.427 20 10 CGCDRN Cc1ccnc(NCc2ccc(O)c(O)c2)c1Cl ZINC001158995324 806028416 /nfs/dbraw/zinc/02/84/16/806028416.db2.gz CJFKKWLWXUUDAD-UHFFFAOYSA-N 0 0 264.712 3.067 20 10 CGCDRN Oc1ccc(CNc2nccc3c(F)cccc32)cc1O ZINC001158995334 806028894 /nfs/dbraw/zinc/02/88/94/806028894.db2.gz CYYLJLMEQPHEDH-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN CSc1cc(Cl)ncc1NCc1ccc(O)c(O)c1 ZINC001158995512 806029426 /nfs/dbraw/zinc/02/94/26/806029426.db2.gz HZOODEUAMCWZDF-UHFFFAOYSA-N 0 0 296.779 3.480 20 10 CGCDRN Cc1coc(C(=O)NCc2cccc(Cl)c2O)c1C ZINC001159041718 806035839 /nfs/dbraw/zinc/03/58/39/806035839.db2.gz ZJMFKJFSKVKHFA-UHFFFAOYSA-N 0 0 279.723 3.185 20 10 CGCDRN O=C(c1ccccc1)c1ccccc1Nc1cc[nH]n1 ZINC001159478072 806109948 /nfs/dbraw/zinc/10/99/48/806109948.db2.gz WBBQXRBVBFMPAA-UHFFFAOYSA-N 0 0 263.300 3.384 20 10 CGCDRN CCOc1cc(Nc2ccc3c(c2)CCN3)c(F)cn1 ZINC001159522974 806117008 /nfs/dbraw/zinc/11/70/08/806117008.db2.gz RTFSGKMFIDHDCI-UHFFFAOYSA-N 0 0 273.311 3.331 20 10 CGCDRN Cc1cc(C)c(CNc2nccnc2OC2CCC2)c(O)c1 ZINC001160810958 806305678 /nfs/dbraw/zinc/30/56/78/806305678.db2.gz AMGDZRQCKOSXCU-UHFFFAOYSA-N 0 0 299.374 3.342 20 10 CGCDRN CSc1cncc(NCc2c(C)cc(C)cc2O)n1 ZINC001160811227 806306535 /nfs/dbraw/zinc/30/65/35/806306535.db2.gz HOMGZUVTSTVMMH-UHFFFAOYSA-N 0 0 275.377 3.133 20 10 CGCDRN Oc1ccc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)cc1O ZINC001254511654 806430319 /nfs/dbraw/zinc/43/03/19/806430319.db2.gz DISCMQKYOYFTHN-QWHCGFSZSA-N 0 0 294.310 3.419 20 10 CGCDRN Oc1cccc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)c1O ZINC001254512920 806432714 /nfs/dbraw/zinc/43/27/14/806432714.db2.gz LXWJKVXDZSIPAD-CHWSQXEVSA-N 0 0 294.310 3.419 20 10 CGCDRN Nc1ccc(CNC(F)(F)c2cccnc2Cl)cc1 ZINC001162784044 806664663 /nfs/dbraw/zinc/66/46/63/806664663.db2.gz FDHCEBFDGYQJMG-UHFFFAOYSA-N 0 0 283.709 3.156 20 10 CGCDRN COc1ccc2nc(NCc3ccc(N)cc3)nc(C)c2c1 ZINC001162785897 806665553 /nfs/dbraw/zinc/66/55/53/806665553.db2.gz NYOHMKWKQFTVMY-UHFFFAOYSA-N 0 0 294.358 3.141 20 10 CGCDRN Nc1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC001162785582 806666022 /nfs/dbraw/zinc/66/60/22/806666022.db2.gz IKQMVBORYFFNGF-UHFFFAOYSA-N 0 0 294.314 3.337 20 10 CGCDRN Nc1ccc(CNc2cncc(-c3ccc(F)cc3)n2)cc1 ZINC001162789955 806667269 /nfs/dbraw/zinc/66/72/69/806667269.db2.gz OUILDISCMUSFBK-UHFFFAOYSA-N 0 0 294.333 3.477 20 10 CGCDRN Oc1ccccc1CNc1cc2c(cc1Cl)OCO2 ZINC000036969870 798854035 /nfs/dbraw/zinc/85/40/35/798854035.db2.gz QWQSNMKJRPHKMU-UHFFFAOYSA-N 0 0 277.707 3.386 20 10 CGCDRN C[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1ccccc1O ZINC000037084530 798857774 /nfs/dbraw/zinc/85/77/74/798857774.db2.gz GCCWMAYEIVXBOT-GFCCVEGCSA-N 0 0 284.359 3.267 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cccc2[nH]ccc21 ZINC000037842150 798876137 /nfs/dbraw/zinc/87/61/37/798876137.db2.gz MPICVHPXXGDTAX-UHFFFAOYSA-N 0 0 280.327 3.146 20 10 CGCDRN COc1ccc(N(C)CCOc2ccccc2)cc1OC ZINC000140276163 799043707 /nfs/dbraw/zinc/04/37/07/799043707.db2.gz GESGHZITUSZVLW-UHFFFAOYSA-N 0 0 287.359 3.219 20 10 CGCDRN CS[C@@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309888919 799220327 /nfs/dbraw/zinc/22/03/27/799220327.db2.gz ZLLAIPOPMLOZBG-ZETCQYMHSA-N 0 0 263.765 3.026 20 10 CGCDRN C[C@H](O)CNc1ccccc1OCc1ccccc1 ZINC000381058597 799371161 /nfs/dbraw/zinc/37/11/61/799371161.db2.gz JTJBQYOCSMDGGK-ZDUSSCGKSA-N 0 0 257.333 3.058 20 10 CGCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@@H]2CCC[C@@H]21 ZINC000382126438 799392902 /nfs/dbraw/zinc/39/29/02/799392902.db2.gz COHOJAXDGJHPFN-UONOGXRCSA-N 0 0 273.380 3.311 20 10 CGCDRN Cc1ncc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000384139843 799411682 /nfs/dbraw/zinc/41/16/82/799411682.db2.gz FNITYSVDQKSACX-UHFFFAOYSA-N 0 0 282.391 3.387 20 10 CGCDRN CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000390782139 799474772 /nfs/dbraw/zinc/47/47/72/799474772.db2.gz KXIKILLZZCOSBT-SKDRFNHKSA-N 0 0 284.197 3.433 20 10 CGCDRN C[C@@H]([NH2+]C1CCC1)c1cc(Br)c(F)cc1[O-] ZINC000393777028 799491330 /nfs/dbraw/zinc/49/13/30/799491330.db2.gz GNVMCRHCQFEELQ-SSDOTTSWSA-N 0 0 288.160 3.497 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1O ZINC000397886612 799523433 /nfs/dbraw/zinc/52/34/33/799523433.db2.gz MYCJEHGQMYIJQD-KGYLQXTDSA-N 0 0 251.395 3.184 20 10 CGCDRN CN(C)c1ccc(CN[C@@H]2CCCC2(F)F)cc1 ZINC000397997983 799523944 /nfs/dbraw/zinc/52/39/44/799523944.db2.gz CTDYIHWOFHSBQF-CYBMUJFWSA-N 0 0 254.324 3.030 20 10 CGCDRN CN(C(=O)c1csc2c1CCCC2)c1ccc(N)cc1 ZINC000399895167 799543114 /nfs/dbraw/zinc/54/31/14/799543114.db2.gz QAYQMDPRAOYHNX-UHFFFAOYSA-N 0 0 286.400 3.486 20 10 CGCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC000588403652 799689188 /nfs/dbraw/zinc/68/91/88/799689188.db2.gz SWEGWVFCNNBPBC-YVMONPNESA-N 0 0 283.327 3.367 20 10 CGCDRN C[C@@H](c1ccccc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403375 799689307 /nfs/dbraw/zinc/68/93/07/799689307.db2.gz FTVQRKPZXAXIHL-FUWURINLSA-N 0 0 297.354 3.331 20 10 CGCDRN Cc1cnc(CC[NH2+]Cc2cccc(Cl)c2[O-])c(C)c1 ZINC000689401805 799763499 /nfs/dbraw/zinc/76/34/99/799763499.db2.gz MHTJYDYEYZIQRI-UHFFFAOYSA-N 0 0 290.794 3.390 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000690398779 799775445 /nfs/dbraw/zinc/77/54/45/799775445.db2.gz VGUZIZRGLKKZMW-WCQYABFASA-N 0 0 280.387 3.055 20 10 CGCDRN CCN(Cc1ccc(Br)cc1O)CC(F)F ZINC000691672823 799786640 /nfs/dbraw/zinc/78/66/40/799786640.db2.gz BEUVNIFKFRCUNV-UHFFFAOYSA-N 0 0 294.139 3.242 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000697912730 799851634 /nfs/dbraw/zinc/85/16/34/799851634.db2.gz WWLBAUUNCIDXBS-YHPBZONMSA-N 0 0 251.757 3.181 20 10 CGCDRN Nc1ccc(NC(=O)/C=C\c2ccccc2F)cc1 ZINC000700751190 799878201 /nfs/dbraw/zinc/87/82/01/799878201.db2.gz BQFMFVBNLSWYQD-YHYXMXQVSA-N 0 0 256.280 3.060 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCCC2(F)F)ccc(F)c1F ZINC000703261323 799921757 /nfs/dbraw/zinc/92/17/57/799921757.db2.gz UXECRLXNMPNDEE-VIFPVBQESA-N 0 0 277.261 3.195 20 10 CGCDRN C[C@H]1N(Cc2cc(Cl)ccc2O)CCOC1(C)C ZINC000707700844 799978627 /nfs/dbraw/zinc/97/86/27/799978627.db2.gz PNENETKDIKJLHJ-SNVBAGLBSA-N 0 0 269.772 3.045 20 10 CGCDRN CCC[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])OCC ZINC000707839628 799979762 /nfs/dbraw/zinc/97/97/62/799979762.db2.gz WZVKMRLASGNESI-LBPRGKRZSA-N 0 0 271.788 3.340 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000708465513 799987936 /nfs/dbraw/zinc/98/79/36/799987936.db2.gz JEXTWIINTUTUIV-ZDUSSCGKSA-N 0 0 279.286 3.431 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000708388689 799988563 /nfs/dbraw/zinc/98/85/63/799988563.db2.gz IBUAOULHMFCUBW-LBPRGKRZSA-N 0 0 253.292 3.093 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCS1 ZINC000708466160 799988699 /nfs/dbraw/zinc/98/86/99/799988699.db2.gz NZTTVJDTHKAACS-CYBMUJFWSA-N 0 0 273.348 3.046 20 10 CGCDRN CS[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708466986 799989023 /nfs/dbraw/zinc/98/90/23/799989023.db2.gz WWFDGIXHPUWXRI-WDEREUQCSA-N 0 0 273.348 3.044 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC1=CCCC1 ZINC000708535704 799990592 /nfs/dbraw/zinc/99/05/92/799990592.db2.gz POKUMTVYKWJOLT-UHFFFAOYSA-N 0 0 253.292 3.260 20 10 CGCDRN CC(C)(C)SCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708481685 799991009 /nfs/dbraw/zinc/99/10/09/799991009.db2.gz SYFSHQYMPABKIE-UHFFFAOYSA-N 0 0 275.364 3.292 20 10 CGCDRN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC(C)(C)C1 ZINC000709391721 800008087 /nfs/dbraw/zinc/00/80/87/800008087.db2.gz IHRNXBHSTNNPGD-GHMZBOCLSA-N 0 0 277.364 3.042 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C12CCC2 ZINC000713482994 800110913 /nfs/dbraw/zinc/11/09/13/800110913.db2.gz XCZSZNSUOGLTCC-COLVAYQJSA-N 0 0 279.355 3.140 20 10 CGCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000716477455 800172828 /nfs/dbraw/zinc/17/28/28/800172828.db2.gz HODHPGJCNPLQAV-UHFFFAOYSA-N 0 0 269.772 3.047 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCF)c1[O-] ZINC000716661205 800179433 /nfs/dbraw/zinc/17/94/33/800179433.db2.gz SHNXDESXWWUSSF-UHFFFAOYSA-N 0 0 273.735 3.040 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@@H]2CCC=CCCC2)cc1 ZINC000719012176 800229202 /nfs/dbraw/zinc/22/92/02/800229202.db2.gz IFTZORJIRLAEJL-OAHLLOKOSA-N 0 0 272.392 3.064 20 10 CGCDRN Oc1ccc(F)cc1CNc1cnn(C2CCCC2)c1 ZINC000722376859 800319327 /nfs/dbraw/zinc/31/93/27/800319327.db2.gz SVTCCJVQAUCJDG-UHFFFAOYSA-N 0 0 275.327 3.455 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723997149 800350177 /nfs/dbraw/zinc/35/01/77/800350177.db2.gz SKWQLQAZRYRQES-HIFRSBDPSA-N 0 0 295.810 3.340 20 10 CGCDRN C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000725086476 800372403 /nfs/dbraw/zinc/37/24/03/800372403.db2.gz SEPYGQQOYMBZLE-XHDPSFHLSA-N 0 0 281.371 3.123 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725127110 800375547 /nfs/dbraw/zinc/37/55/47/800375547.db2.gz XADFWWVBTUXSAZ-AWEZNQCLSA-N 0 0 283.799 3.076 20 10 CGCDRN Cn1cc(/C=C\C(=O)N2CCC(C)(C)c3ccccc32)cn1 ZINC000809359456 800431419 /nfs/dbraw/zinc/43/14/19/800431419.db2.gz SGRZJHAULJTRFF-HJWRWDBZSA-N 0 0 295.386 3.148 20 10 CGCDRN CCn1cc(CCOc2ccc(N3CCCC3)cc2)cn1 ZINC000809377558 800432862 /nfs/dbraw/zinc/43/28/62/800432862.db2.gz JQOOODKLWSXDTJ-UHFFFAOYSA-N 0 0 285.391 3.125 20 10 CGCDRN O=c1cc(-c2cccnc2)ccn1Cc1ccccc1F ZINC000821185579 800456102 /nfs/dbraw/zinc/45/61/02/800456102.db2.gz PKGDVIJBBVXPIX-UHFFFAOYSA-N 0 0 280.302 3.098 20 10 CGCDRN CC(C)=C(C)C(=O)Nc1c2nonc2ccc1Cl ZINC001117507266 802468953 /nfs/dbraw/zinc/46/89/53/802468953.db2.gz FRCJMBSHEFFPEK-UHFFFAOYSA-N 0 0 265.700 3.171 20 10 CGCDRN C[C@H](NC(=O)NC/C=C\C1CC1)c1ccc(N(C)C)cc1 ZINC001117855902 802507682 /nfs/dbraw/zinc/50/76/82/802507682.db2.gz NDQACARWWKTGAC-ZFDPJTLLSA-N 0 0 287.407 3.079 20 10 CGCDRN Cc1ccccc1OCCC(=O)N[C@H](C)c1ccccc1O ZINC001119049088 802629232 /nfs/dbraw/zinc/62/92/32/802629232.db2.gz HCFSQAUGDFQRLK-CQSZACIVSA-N 0 0 299.370 3.347 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001119452263 802667256 /nfs/dbraw/zinc/66/72/56/802667256.db2.gz QQJYXVPSDGHUAE-AEGPPILISA-N 0 0 288.391 3.112 20 10 CGCDRN O=C(N[C@@H]1C=CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001119593876 802681620 /nfs/dbraw/zinc/68/16/20/802681620.db2.gz YEKBAWNIOBFWPB-SNVBAGLBSA-N 0 0 289.356 3.151 20 10 CGCDRN C[C@@H](Nc1cccc([C@H](C)O)n1)c1ccc(N(C)C)cc1 ZINC001119952848 802713099 /nfs/dbraw/zinc/71/30/99/802713099.db2.gz FCOUVNKBEBCKGD-OLZOCXBDSA-N 0 0 285.391 3.374 20 10 CGCDRN CCN(Cc1cccs1)C(=O)NCc1ccc(N)cc1 ZINC001120681761 802761159 /nfs/dbraw/zinc/76/11/59/802761159.db2.gz OKECHTLJKPWYLP-UHFFFAOYSA-N 0 0 289.404 3.062 20 10 CGCDRN CCC[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001120795610 802779436 /nfs/dbraw/zinc/77/94/36/802779436.db2.gz YHHRMQHTQWOKEJ-ZDUSSCGKSA-N 0 0 288.351 3.254 20 10 CGCDRN Cc1cc(F)ncc1-c1ccn(CC(C)C)c(=O)c1 ZINC001243759044 802985280 /nfs/dbraw/zinc/98/52/80/802985280.db2.gz DAOGDELYAUXWRT-UHFFFAOYSA-N 0 0 260.312 3.014 20 10 CGCDRN Cc1cc2c(cccc2-c2cnn(C(C)(C)CO)c2)n1C ZINC001244103682 803187432 /nfs/dbraw/zinc/18/74/32/803187432.db2.gz AJOWLQAENVWSFM-UHFFFAOYSA-N 0 0 283.375 3.078 20 10 CGCDRN CSc1ncc(-c2ncnc3c2ccn3C)cc1Cl ZINC001244239771 803258817 /nfs/dbraw/zinc/25/88/17/803258817.db2.gz WXRSYNQDKPZITH-UHFFFAOYSA-N 0 0 290.779 3.406 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C[C@@H]1C ZINC001137831757 803777033 /nfs/dbraw/zinc/77/70/33/803777033.db2.gz MKJSONBQXXXGDH-NEPJUHHUSA-N 0 0 251.345 3.399 20 10 CGCDRN C[C@]1(F)CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC001138122673 803864338 /nfs/dbraw/zinc/86/43/38/803864338.db2.gz UEUHDMYQVVBLGW-AWEZNQCLSA-N 0 0 255.308 3.245 20 10 CGCDRN CN1CCCc2cc(CN3CCCC(F)(F)C3)ccc21 ZINC001138355048 803900212 /nfs/dbraw/zinc/90/02/12/803900212.db2.gz ZXIVUEDYHHKMGW-UHFFFAOYSA-N 0 0 280.362 3.300 20 10 CGCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H]2C)c(OC)c1 ZINC001138386826 803913149 /nfs/dbraw/zinc/91/31/49/803913149.db2.gz XOHKXDGHCUHAAC-CYBMUJFWSA-N 0 0 262.397 3.136 20 10 CGCDRN Cc1cc(CN2CC(Oc3ccccc3)C2)ccc1N(C)C ZINC001139670510 804248341 /nfs/dbraw/zinc/24/83/41/804248341.db2.gz AAWJEYODKQJTDY-UHFFFAOYSA-N 0 0 296.414 3.324 20 10 CGCDRN [O-]c1c(F)ccc(F)c1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001139685777 804251507 /nfs/dbraw/zinc/25/15/07/804251507.db2.gz WYWGMAGGHRHMDJ-LLVKDONJSA-N 0 0 295.251 3.240 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001139684097 804252746 /nfs/dbraw/zinc/25/27/46/804252746.db2.gz QNZLIRJRFVLECY-YGRLFVJLSA-N 0 0 267.319 3.435 20 10 CGCDRN Fc1ccc(Cl)cc1-c1noc(-c2csnn2)n1 ZINC001212362078 815010886 /nfs/dbraw/zinc/01/08/86/815010886.db2.gz LNFFQZRXLNAACZ-UHFFFAOYSA-N 0 0 282.687 3.048 20 10 CGCDRN Cc1ccc(-c2noc(-c3csnn3)n2)c(Cl)c1 ZINC001212362128 815010967 /nfs/dbraw/zinc/01/09/67/815010967.db2.gz NYVRDFPENWZZAE-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN C[C@@H]1C[C@@H](F)CN1Cc1c(O)cccc1Br ZINC001140098747 804378080 /nfs/dbraw/zinc/37/80/80/804378080.db2.gz LCJCDWNUINJMTK-RKDXNWHRSA-N 0 0 288.160 3.087 20 10 CGCDRN Cc1ccc(C)c(CN(C)CC(=O)c2ccccc2)c1O ZINC001140183682 804397357 /nfs/dbraw/zinc/39/73/57/804397357.db2.gz GFBGFSALQZBCBQ-UHFFFAOYSA-N 0 0 283.371 3.324 20 10 CGCDRN Oc1cccc(Cl)c1CN1CC(F)(F)C[C@H]1CF ZINC001140337997 804418604 /nfs/dbraw/zinc/41/86/04/804418604.db2.gz QEYLAMHGSCGWSR-QMMMGPOBSA-N 0 0 279.689 3.225 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001140461225 804441240 /nfs/dbraw/zinc/44/12/40/804441240.db2.gz HMLLQDRFCPATJY-GFCCVEGCSA-N 0 0 257.736 3.370 20 10 CGCDRN C[N@@H+](Cc1c([O-])cc(F)cc1F)CC1CCCC1 ZINC001140584064 804468442 /nfs/dbraw/zinc/46/84/42/804468442.db2.gz FIVDUDNHPDJEIG-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN Cc1ccc(O)c(CN2CC(F)(F)C[C@@]2(C)CF)c1 ZINC001140619879 804476920 /nfs/dbraw/zinc/47/69/20/804476920.db2.gz SVBDLSGUORVWHU-ZDUSSCGKSA-N 0 0 273.298 3.270 20 10 CGCDRN CCN(CC)c1ccc(CN(C)CC(F)(F)F)c(O)c1 ZINC001140851290 804533993 /nfs/dbraw/zinc/53/39/93/804533993.db2.gz GIZQJSDEUDWMOO-UHFFFAOYSA-N 0 0 290.329 3.233 20 10 CGCDRN Cc1ccc(CN2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001140950259 804557646 /nfs/dbraw/zinc/55/76/46/804557646.db2.gz XUAHEBGQCFUDTP-UHFFFAOYSA-N 0 0 288.778 3.307 20 10 CGCDRN Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001141526096 804651194 /nfs/dbraw/zinc/65/11/94/804651194.db2.gz VEJZLJJTKTWEMI-ZDUSSCGKSA-N 0 0 299.370 3.168 20 10 CGCDRN C[C@H]1c2cccn2CCN1Cc1cc(F)c(F)cc1O ZINC001142527533 804733037 /nfs/dbraw/zinc/73/30/37/804733037.db2.gz YFCRCELQDOIAQZ-JTQLQIEISA-N 0 0 278.302 3.049 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@H](C)N)n2)cc1 ZINC001247595183 804778885 /nfs/dbraw/zinc/77/88/85/804778885.db2.gz WZDMASFWZLGKGC-LBPRGKRZSA-N 0 0 282.347 3.164 20 10 CGCDRN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001142925905 804785151 /nfs/dbraw/zinc/78/51/51/804785151.db2.gz RPEASFYQEIVXIB-CQSZACIVSA-N 0 0 291.391 3.115 20 10 CGCDRN CC(C)(C)c1cccc(CN2C[C@@H](F)[C@@H](F)C2)c1O ZINC001143104680 804801601 /nfs/dbraw/zinc/80/16/01/804801601.db2.gz XFKFFBOKLMKKNU-BETUJISGSA-N 0 0 269.335 3.182 20 10 CGCDRN CCN(Cc1ccccc1O)Cc1c(F)cc(O)cc1F ZINC001144559955 805006109 /nfs/dbraw/zinc/00/61/09/805006109.db2.gz SPIMHOZEHJTXJQ-UHFFFAOYSA-N 0 0 293.313 3.398 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2C[C@@H]3C[C@H]2CO3)cc1Cl ZINC001248883623 805032706 /nfs/dbraw/zinc/03/27/06/805032706.db2.gz MITPWGXPIXXJMY-RYUDHWBXSA-N 0 0 295.810 3.316 20 10 CGCDRN CC(C)(C)c1cc(O)c(CN2CCO[C@H]3C[C@H]32)cc1Cl ZINC001248885302 805034318 /nfs/dbraw/zinc/03/43/18/805034318.db2.gz RCCFZGKJDWNUEA-HIFRSBDPSA-N 0 0 295.810 3.316 20 10 CGCDRN CCC[C@@H](CC)C(=O)NCc1cc(Cl)ccc1O ZINC001146233020 805063727 /nfs/dbraw/zinc/06/37/27/805063727.db2.gz PAXKTGMPCRTSOM-SNVBAGLBSA-N 0 0 269.772 3.488 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)C1C[C@@H](C)O[C@H](C)C1 ZINC001257099134 807051713 /nfs/dbraw/zinc/05/17/13/807051713.db2.gz MOIXSDKIPDDIPI-CHWSQXEVSA-N 0 0 263.381 3.170 20 10 CGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)c2ccc(F)cc2O1 ZINC001148205846 805168266 /nfs/dbraw/zinc/16/82/66/805168266.db2.gz NCFLHZHDOVZPKB-QMMMGPOBSA-N 0 0 293.319 3.021 20 10 CGCDRN CC1(CNC(=O)c2cccc(O)c2O)CCC(F)(F)CC1 ZINC001148224575 805169005 /nfs/dbraw/zinc/16/90/05/805169005.db2.gz PTJSPXQJWSQEMJ-UHFFFAOYSA-N 0 0 299.317 3.043 20 10 CGCDRN Cc1cc(C)c(CNC(=O)c2ccc3ocnc3c2)c(O)c1 ZINC001149392343 805232181 /nfs/dbraw/zinc/23/21/81/805232181.db2.gz IARVBVWLLINFFC-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN CCN(Cc1ccccc1O)c1cc(C)cc(OC)n1 ZINC001154889346 805505054 /nfs/dbraw/zinc/50/50/54/805505054.db2.gz WWCMLXRSVOBSLW-UHFFFAOYSA-N 0 0 272.348 3.131 20 10 CGCDRN CCc1c(Cl)ncnc1N(CC)Cc1ccccc1O ZINC001154890573 805506377 /nfs/dbraw/zinc/50/63/77/805506377.db2.gz CFVWVXCHRQVAOU-UHFFFAOYSA-N 0 0 291.782 3.425 20 10 CGCDRN COC1CC(c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256930868 807012971 /nfs/dbraw/zinc/01/29/71/807012971.db2.gz MPJVZRYIDSXERN-UHFFFAOYSA-N 0 0 295.342 3.420 20 10 CGCDRN CC(C)CCc1nnc(-c2cc3cc(O)c(O)cc3[nH]2)o1 ZINC001258277776 807390458 /nfs/dbraw/zinc/39/04/58/807390458.db2.gz QNOGTYPGOYUDHY-UHFFFAOYSA-N 0 0 287.319 3.218 20 10 CGCDRN CN(c1ccc(N)cc1)c1cccc(CO)c1Cl ZINC001212766519 815132440 /nfs/dbraw/zinc/13/24/40/815132440.db2.gz KVAPFFGGECDSTJ-UHFFFAOYSA-N 0 0 262.740 3.182 20 10 CGCDRN Cc1ccc(N(C)C)c(NCc2ccc(O)c(O)c2)c1 ZINC001169996964 807736414 /nfs/dbraw/zinc/73/64/14/807736414.db2.gz OLYMZJJJEDNCFZ-UHFFFAOYSA-N 0 0 272.348 3.084 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCC(F)F ZINC001262374597 807862016 /nfs/dbraw/zinc/86/20/16/807862016.db2.gz JYPKPQGQYPCMRA-UHFFFAOYSA-N 0 0 267.678 3.320 20 10 CGCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC001262583349 807872110 /nfs/dbraw/zinc/87/21/10/807872110.db2.gz VIKKNOCSIQVPDD-VNHYZAJKSA-N 0 0 289.423 3.283 20 10 CGCDRN CNc1ccccc1NC1CCN(c2cccnc2)CC1 ZINC001171472680 808067959 /nfs/dbraw/zinc/06/79/59/808067959.db2.gz JNLSCHUWJZCBHJ-UHFFFAOYSA-N 0 0 282.391 3.204 20 10 CGCDRN CCN(CC)C(=O)c1ccc(Nc2ccc(N)cc2)cc1 ZINC001174064874 808851825 /nfs/dbraw/zinc/85/18/25/808851825.db2.gz QHULPAMKRIRSJY-UHFFFAOYSA-N 0 0 283.375 3.494 20 10 CGCDRN CN(c1ccc(N)cc1)c1cccc(C(=O)N2CCCC2)c1 ZINC001174172114 808895550 /nfs/dbraw/zinc/89/55/50/808895550.db2.gz OJTHOGCRVZINFW-UHFFFAOYSA-N 0 0 295.386 3.273 20 10 CGCDRN COc1ccc(N(c2cn[nH]c2)c2ccc(N)cc2)cc1 ZINC001174296234 808938485 /nfs/dbraw/zinc/93/84/85/808938485.db2.gz AMVMARGBGGDNQD-UHFFFAOYSA-N 0 0 280.331 3.470 20 10 CGCDRN Cc1cc(N(c2ccc(N)cc2)S(C)(=O)=O)c(C)s1 ZINC001174420641 809011931 /nfs/dbraw/zinc/01/19/31/809011931.db2.gz VQRPODNTPZGPQI-UHFFFAOYSA-N 0 0 296.417 3.045 20 10 CGCDRN COc1ccc(F)c(F)c1Nc1cccc(O)c1O ZINC001174423819 809014306 /nfs/dbraw/zinc/01/43/06/809014306.db2.gz HNBABPWFUNKGDL-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN CCNC(=O)Nc1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001174522130 809060411 /nfs/dbraw/zinc/06/04/11/809060411.db2.gz XYEBHBNINNQWOK-UHFFFAOYSA-N 0 0 284.363 3.178 20 10 CGCDRN Oc1cccc(Nc2cncc(C(F)(F)F)c2)c1O ZINC001174743678 809150088 /nfs/dbraw/zinc/15/00/88/809150088.db2.gz PQSVAYPCHRQEPP-UHFFFAOYSA-N 0 0 270.210 3.255 20 10 CGCDRN Cc1cccn2cc(C(=O)N(C)Cc3ccccc3O)cc12 ZINC001294677324 809473766 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818567941 /nfs/dbraw/zinc/56/79/41/818567941.db2.gz WUUAMFCJBDXBNI-UHFFFAOYSA-N 0 0 297.402 3.038 20 10 CGCDRN Cc1cc([C@@H]2CCCN2Cc2c(O)ccc(F)c2F)no1 ZINC001233331782 818583154 /nfs/dbraw/zinc/58/31/54/818583154.db2.gz KMFGVDSXTJWGPO-ZDUSSCGKSA-N 0 0 294.301 3.304 20 10 CGCDRN CC(C)[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233335600 818588643 /nfs/dbraw/zinc/58/86/43/818588643.db2.gz CRLZFCBPGBSJCE-GFCCVEGCSA-N 0 0 255.308 3.291 20 10 CGCDRN [O-]c1c(C[NH+]2CCC(F)CC2)cccc1C(F)(F)F ZINC001233415622 818614034 /nfs/dbraw/zinc/61/40/34/818614034.db2.gz CQUFVURWQZDSAN-UHFFFAOYSA-N 0 0 277.261 3.345 20 10 CGCDRN CO[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415920 818614768 /nfs/dbraw/zinc/61/47/68/818614768.db2.gz OFJXADVZHZOHJS-NSHDSACASA-N 0 0 289.297 3.022 20 10 CGCDRN Oc1cc(C(F)(F)F)ccc1CN1CCC(F)(F)C1 ZINC001233451786 818623404 /nfs/dbraw/zinc/62/34/04/818623404.db2.gz ZGIMBTYLDVOKSM-UHFFFAOYSA-N 0 0 281.224 3.252 20 10 CGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001236670044 819568142 /nfs/dbraw/zinc/56/81/42/819568142.db2.gz SKZAHHROBGPFBT-CMPLNLGQSA-N 0 0 296.208 3.447 20 10 CGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001236792078 819594469 /nfs/dbraw/zinc/59/44/69/819594469.db2.gz BFSOBANPFGNHKE-SNVBAGLBSA-N 0 0 290.190 3.046 20 10 CGCDRN CCC[N@H+](CC)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236805410 819602907 /nfs/dbraw/zinc/60/29/07/819602907.db2.gz FTICFTJSVFZDDS-UHFFFAOYSA-N 0 0 257.761 3.286 20 10 CGCDRN CCCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236813137 819604899 /nfs/dbraw/zinc/60/48/99/819604899.db2.gz KAKQOSBWUUEDGR-GFCCVEGCSA-N 0 0 299.798 3.055 20 10 CGCDRN COc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c([O-])c1Cl ZINC001236817773 819605724 /nfs/dbraw/zinc/60/57/24/819605724.db2.gz HISWFECBALBHDA-PWSUYJOCSA-N 0 0 299.798 3.054 20 10 CGCDRN CCOC(=O)CN(Cc1ccc(C(C)C)cc1O)C1CC1 ZINC001237054733 819654909 /nfs/dbraw/zinc/65/49/09/819654909.db2.gz FVOPCGMKRAANKT-UHFFFAOYSA-N 0 0 291.391 3.043 20 10 CGCDRN Oc1ccc(Cl)c(Cl)c1CN1CC[C@@H](F)C1 ZINC001237078568 819661802 /nfs/dbraw/zinc/66/18/02/819661802.db2.gz UTTXBZGZRMNFJQ-SSDOTTSWSA-N 0 0 264.127 3.243 20 10 CGCDRN COC1CC[NH+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078615 819662107 /nfs/dbraw/zinc/66/21/07/819662107.db2.gz VJMLWNHTDHBZSV-UHFFFAOYSA-N 0 0 290.190 3.310 20 10 CGCDRN C[C@@]1(F)CCN(Cc2c(O)ccc(F)c2Cl)C[C@@H]1F ZINC001237119174 819671572 /nfs/dbraw/zinc/67/15/72/819671572.db2.gz BPKWCXOEKPSSSH-WCQYABFASA-N 0 0 293.716 3.457 20 10 CGCDRN CN(Cc1nccs1)Cc1c(O)ccc(F)c1Cl ZINC001237129469 819674577 /nfs/dbraw/zinc/67/45/77/819674577.db2.gz HECVUUMIBBVGCR-UHFFFAOYSA-N 0 0 286.759 3.273 20 10 CGCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001237487722 819761878 /nfs/dbraw/zinc/76/18/78/819761878.db2.gz MFWKBZSETGEJGC-LLVKDONJSA-N 0 0 255.308 3.178 20 10 CGCDRN Cc1cc(Cl)cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001237680881 819807345 /nfs/dbraw/zinc/80/73/45/819807345.db2.gz VNUGGBAMBVUMHW-TVYUQYBPSA-N 0 0 269.747 3.144 20 10 CGCDRN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001237804973 819847598 /nfs/dbraw/zinc/84/75/98/819847598.db2.gz IUWZHRRIOXJDSW-FUNVUKJBSA-N 0 0 299.773 3.327 20 10 CGCDRN CCCO[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237814534 819851036 /nfs/dbraw/zinc/85/10/36/819851036.db2.gz SLTIKTWAVCUUEO-LBPRGKRZSA-N 0 0 287.762 3.186 20 10 CGCDRN C[C@]1(F)CCN(Cc2cc(F)c(Cl)cc2O)C[C@@H]1F ZINC001237934959 819886942 /nfs/dbraw/zinc/88/69/42/819886942.db2.gz NTXUXCFOLFEMLN-STQMWFEESA-N 0 0 293.716 3.457 20 10 CGCDRN Oc1cc(Cl)c(F)cc1CN1CC(F)(C2CC2)C1 ZINC001237935147 819887401 /nfs/dbraw/zinc/88/74/01/819887401.db2.gz QPTIPWUOLBRJIL-UHFFFAOYSA-N 0 0 273.710 3.119 20 10 CGCDRN Oc1cc(Cl)c(F)cc1CN1CCCC(F)(F)C1 ZINC001237945576 819891518 /nfs/dbraw/zinc/89/15/18/819891518.db2.gz HDGLSZFDSCGKCR-UHFFFAOYSA-N 0 0 279.689 3.416 20 10 CGCDRN Oc1cc(Cl)c(F)cc1CN1Cc2cccnc2C1 ZINC001237947617 819892465 /nfs/dbraw/zinc/89/24/65/819892465.db2.gz RQOAMJLZSKEQCQ-UHFFFAOYSA-N 0 0 278.714 3.096 20 10 CGCDRN 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/nfs/dbraw/zinc/82/14/80/937821480.db2.gz XXCQJRNYSMWTML-INIZCTEOSA-N 0 0 263.381 3.337 20 10 CGCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CCC[C@H](F)C1 ZINC001349003852 936941606 /nfs/dbraw/zinc/94/16/06/936941606.db2.gz HIQGJFNTKGKKIF-YUMQZZPRSA-N 0 0 297.717 3.343 20 10 CGCDRN CCc1ccc([C@H](C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001349080062 936942765 /nfs/dbraw/zinc/94/27/65/936942765.db2.gz YGIUKMGMKOXFSE-LBPRGKRZSA-N 0 0 299.370 3.080 20 10 CGCDRN CCc1ccc([C@@H](C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001349080061 936942794 /nfs/dbraw/zinc/94/27/94/936942794.db2.gz YGIUKMGMKOXFSE-GFCCVEGCSA-N 0 0 299.370 3.080 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC001349359013 936947109 /nfs/dbraw/zinc/94/71/09/936947109.db2.gz HOJZOPWUIPYZTM-NWDGAFQWSA-N 0 0 276.380 3.242 20 10 CGCDRN Cc1oc(C(C)C)cc1C(=O)NCc1cccc(O)c1O ZINC001350300907 936985706 /nfs/dbraw/zinc/98/57/06/936985706.db2.gz ZTWMJYSJRWAMDY-UHFFFAOYSA-N 0 0 289.331 3.053 20 10 CGCDRN C/C(=C/c1ccco1)C(=O)NCc1ccc(N(C)C)cc1 ZINC001352216514 937038747 /nfs/dbraw/zinc/03/87/47/937038747.db2.gz XADDVNJNWVGVIN-QBFSEMIESA-N 0 0 284.359 3.065 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001360075625 937216390 /nfs/dbraw/zinc/21/63/90/937216390.db2.gz LUPGVCDIJSQHSJ-HZPDHXFCSA-N 0 0 288.435 3.359 20 10 CGCDRN Cc1cccc(CNc2cc(CC(C)C)ncn2)c1O ZINC001160770423 928203714 /nfs/dbraw/zinc/20/37/14/928203714.db2.gz WCAHORCCPPWPGG-UHFFFAOYSA-N 0 0 271.364 3.301 20 10 CGCDRN Nc1ccc(-n2cc(-c3cccc(Cl)c3)nn2)cc1 ZINC001254080305 928778458 /nfs/dbraw/zinc/77/84/58/928778458.db2.gz AEQLUVFUMLKRKM-UHFFFAOYSA-N 0 0 270.723 3.170 20 10 CGCDRN O=C(Nc1ccc(Cl)cc1F)C1=CC(=O)CS1 ZINC001440469833 937330386 /nfs/dbraw/zinc/33/03/86/937330386.db2.gz IICHQRTYGHLPLG-UHFFFAOYSA-N 0 0 271.700 3.499 20 10 CGCDRN O=C(/C=C/c1cccs1)NCc1cc(Cl)ccc1O ZINC001452938317 937399210 /nfs/dbraw/zinc/39/92/10/937399210.db2.gz WSJYRWMPMKSPKU-GQCTYLIASA-N 0 0 293.775 3.437 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cc3ccccc3o2)c1 ZINC001453649734 937404103 /nfs/dbraw/zinc/40/41/03/937404103.db2.gz KQOLEFTZRMZLJN-UHFFFAOYSA-N 0 0 281.311 3.377 20 10 CGCDRN C[C@H]1C[C@H](CNC(=O)C2=CC(=O)CS2)C[C@@H](C)C1 ZINC001453065047 937400525 /nfs/dbraw/zinc/40/05/25/937400525.db2.gz AXOZIIKSHWKTMN-URLYPYJESA-N 0 0 267.394 3.256 20 10 CGCDRN C[C@H](NC(=O)c1ccnc2ccccc21)c1ccccc1O ZINC001454822195 937412587 /nfs/dbraw/zinc/41/25/87/937412587.db2.gz YCZBKXRYQFEPBB-LBPRGKRZSA-N 0 0 292.338 3.431 20 10 CGCDRN O=C(c1cscc1Cl)N1Cc2cccc(O)c2C1 ZINC001455036589 937414678 /nfs/dbraw/zinc/41/46/78/937414678.db2.gz HRTLFWWJDASMNR-UHFFFAOYSA-N 0 0 279.748 3.263 20 10 CGCDRN CSc1ccc(C(=O)N[C@@H](C)c2ccccc2O)o1 ZINC001454819466 937412843 /nfs/dbraw/zinc/41/28/43/937412843.db2.gz RMVAJWQNSUBBHT-VIFPVBQESA-N 0 0 277.345 3.198 20 10 CGCDRN Cc1cccc(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001456308859 937428834 /nfs/dbraw/zinc/42/88/34/937428834.db2.gz GNGZVPHNXGWZEN-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCC[C@H](C)C1 ZINC001457868744 937447001 /nfs/dbraw/zinc/44/70/01/937447001.db2.gz UWQMEBOZWMPESF-GARJFASQSA-N 0 0 295.354 3.182 20 10 CGCDRN Cc1cnc(N[C@@H](C)c2ccccc2O)c([N+](=O)[O-])c1 ZINC001458547251 937468218 /nfs/dbraw/zinc/46/82/18/937468218.db2.gz OLEYJXGOQCIGSZ-JTQLQIEISA-N 0 0 273.292 3.177 20 10 CGCDRN CCc1[nH]nc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000134025478 931974570 /nfs/dbraw/zinc/97/45/70/931974570.db2.gz NNUGZHWMJROHDM-UHFFFAOYSA-N 0 0 276.359 3.098 20 10 CGCDRN Cc1cccc(CNc2cncc(OCC(C)C)n2)c1O ZINC001160769970 931984560 /nfs/dbraw/zinc/98/45/60/931984560.db2.gz OGVPZLUDLCHIRY-UHFFFAOYSA-N 0 0 287.363 3.138 20 10 CGCDRN CC1(C)CCC[C@H]1CNC(=O)NCc1c(O)cccc1F ZINC001228895871 932046641 /nfs/dbraw/zinc/04/66/41/932046641.db2.gz MZKFTPBZXMKPCU-NSHDSACASA-N 0 0 294.370 3.157 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001462362356 937635810 /nfs/dbraw/zinc/63/58/10/937635810.db2.gz BSRPUCJSLPRNMW-NXEZZACHSA-N 0 0 259.271 3.041 20 10 CGCDRN Cc1nc(C)c(C(=O)NCc2cccc(Cl)c2O)s1 ZINC001305069827 932861129 /nfs/dbraw/zinc/86/11/29/932861129.db2.gz QTEKWDQUHRONIB-UHFFFAOYSA-N 0 0 296.779 3.049 20 10 CGCDRN Cc1cccc(F)c1C(=O)NCc1cccc(Cl)c1O ZINC001305085443 932862766 /nfs/dbraw/zinc/86/27/66/932862766.db2.gz ZFVVAIDZSQFKAE-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Clc1cnn(CSc2ncc(Cl)s2)c1 ZINC001307376882 932945040 /nfs/dbraw/zinc/94/50/40/932945040.db2.gz KEHOIZXFDPXRGA-UHFFFAOYSA-N 0 0 266.178 3.396 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2CCCC1CC1 ZINC001307649423 932980688 /nfs/dbraw/zinc/98/06/88/932980688.db2.gz XAUPGYQUIGOJOS-UHFFFAOYSA-N 0 0 260.381 3.142 20 10 CGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C/C=C/Cl ZINC001308544219 933128399 /nfs/dbraw/zinc/12/83/99/933128399.db2.gz QFSKMJCKFNLOJH-OWOJBTEDSA-N 0 0 294.551 3.136 20 10 CGCDRN CC[C@@H](C)[C@@H](CN1CCOc2cc(N(C)C)ccc21)OC ZINC001308669868 933153778 /nfs/dbraw/zinc/15/37/78/933153778.db2.gz WUAPZQITBGYXCQ-CXAGYDPISA-N 0 0 292.423 3.013 20 10 CGCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001308763945 933172251 /nfs/dbraw/zinc/17/22/51/933172251.db2.gz CIPFROYXBWVTJN-CABCVRRESA-N 0 0 297.345 3.060 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cnccn1 ZINC001308802117 933178743 /nfs/dbraw/zinc/17/87/43/933178743.db2.gz MVVNUFIEWWUOSV-MRVPVSSYSA-N 0 0 298.173 3.340 20 10 CGCDRN COc1cc(C)c(CNc2n[nH]c(C(C)C)c2C)c(O)c1 ZINC001308835127 933186541 /nfs/dbraw/zinc/18/65/41/933186541.db2.gz IYFWLMFOFXHQON-UHFFFAOYSA-N 0 0 289.379 3.476 20 10 CGCDRN Oc1c(F)cccc1CNc1cccc2nccnc21 ZINC001308912433 933201911 /nfs/dbraw/zinc/20/19/11/933201911.db2.gz PEANGLXRUUNVNF-UHFFFAOYSA-N 0 0 269.279 3.087 20 10 CGCDRN CC[C@@H](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001311745258 933313506 /nfs/dbraw/zinc/31/35/06/933313506.db2.gz USRJLIQKSNXBPK-GFCCVEGCSA-N 0 0 295.402 3.127 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC001467713654 937721261 /nfs/dbraw/zinc/72/12/61/937721261.db2.gz KVIVGECUOBDIJF-UMVBOHGHSA-N 0 0 290.407 3.325 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)n2cccc2)cc1 ZINC001319602022 933898582 /nfs/dbraw/zinc/89/85/82/933898582.db2.gz ZAHULUQCVCYWMZ-HNNXBMFYSA-N 0 0 299.418 3.212 20 10 CGCDRN C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474744981 933976503 /nfs/dbraw/zinc/97/65/03/933976503.db2.gz NKLKXNGIEJVNKG-NSHDSACASA-N 0 0 276.767 3.161 20 10 CGCDRN C[C@@H](Nc1cnn(Cc2cccnc2)c1)c1ccccc1O ZINC001320292521 934024635 /nfs/dbraw/zinc/02/46/35/934024635.db2.gz QFYTVCNNUJHBSI-CYBMUJFWSA-N 0 0 294.358 3.205 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1cc(F)cc(F)c1[O-] ZINC001320410971 934044555 /nfs/dbraw/zinc/04/45/55/934044555.db2.gz JBAQPSLYBIEDRM-VQISRLSMSA-N 0 0 298.377 3.194 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccc(F)c(OC)c1 ZINC001323269769 934379827 /nfs/dbraw/zinc/37/98/27/934379827.db2.gz NXVOGPVCEXJMQJ-UHFFFAOYSA-N 0 0 287.334 3.406 20 10 CGCDRN C[C@H](CC(=O)Nc1c2nonc2ccc1Cl)C1CC1 ZINC001323705732 934420783 /nfs/dbraw/zinc/42/07/83/934420783.db2.gz AZLZSZNHVZHMKY-SSDOTTSWSA-N 0 0 279.727 3.251 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2C=CCCC2)c(C)n1-c1ccccn1 ZINC001323798454 934426938 /nfs/dbraw/zinc/42/69/38/934426938.db2.gz RMUJSAQKPPLMLW-OAHLLOKOSA-N 0 0 295.386 3.328 20 10 CGCDRN CCc1ccc(C(=O)NCc2c(O)cccc2F)s1 ZINC001471974789 937771188 /nfs/dbraw/zinc/77/11/88/937771188.db2.gz KDUBNIYMYUIJJV-UHFFFAOYSA-N 0 0 279.336 3.085 20 10 CGCDRN Cc1scc(C(=O)NCc2c(O)cccc2F)c1C ZINC001471975662 937771276 /nfs/dbraw/zinc/77/12/76/937771276.db2.gz CAPCVXGKLLFXNZ-UHFFFAOYSA-N 0 0 279.336 3.140 20 10 CGCDRN COc1ccc(N(CC[C@H]2CCOC2)C(C)C)cc1F ZINC001325191870 934893418 /nfs/dbraw/zinc/89/34/18/934893418.db2.gz UPRPDINIBWXJBV-ZDUSSCGKSA-N 0 0 281.371 3.476 20 10 CGCDRN C[C@@H]([NH2+]CCC1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC001325340878 934905411 /nfs/dbraw/zinc/90/54/11/934905411.db2.gz SXPHOODJYOMIED-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCC[C@H](F)C1)c1ccccc1O ZINC001329961380 935257362 /nfs/dbraw/zinc/25/73/62/935257362.db2.gz ZJVKYRCXTRSGGK-SDDRHHMPSA-N 0 0 280.343 3.033 20 10 CGCDRN CCc1nccc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC001331602266 935397937 /nfs/dbraw/zinc/39/79/37/935397937.db2.gz UZFLJCGZPXNWEY-GFCCVEGCSA-N 0 0 270.380 3.278 20 10 CGCDRN CCC[C@@H](OCC)C(=O)N(CCC)Cc1ccccc1O ZINC001331671879 935402117 /nfs/dbraw/zinc/40/21/17/935402117.db2.gz AMGXNWMXTDPDML-MRXNPFEDSA-N 0 0 293.407 3.336 20 10 CGCDRN COc1ccc(C[N@@H+]2CC(C)(C)C2(C)C)c(O)c1OC ZINC001333646684 935556065 /nfs/dbraw/zinc/55/60/65/935556065.db2.gz SHQGEMCKMXAYDE-UHFFFAOYSA-N 0 0 279.380 3.030 20 10 CGCDRN C=CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001335323245 936139047 /nfs/dbraw/zinc/13/90/47/936139047.db2.gz DTZGIWLTUXXPOH-LBPRGKRZSA-N 0 0 292.810 3.379 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCCC[C@@H]2C2CCC2)cc1 ZINC001336290896 936186879 /nfs/dbraw/zinc/18/68/79/936186879.db2.gz WGDIQAMPZDJVEV-MRXNPFEDSA-N 0 0 287.407 3.133 20 10 CGCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001336799097 936218474 /nfs/dbraw/zinc/21/84/74/936218474.db2.gz KCSXBQCPXLIWEM-GDBMZVCRSA-N 0 0 289.423 3.283 20 10 CGCDRN CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)O1 ZINC001474382459 937856296 /nfs/dbraw/zinc/85/62/96/937856296.db2.gz KFLHATMBQKDNJN-NWDGAFQWSA-N 0 0 283.799 3.353 20 10 CGCDRN CCN1CCN(Cc2cccc(F)c2O)c2ccccc21 ZINC001474430338 937859632 /nfs/dbraw/zinc/85/96/32/937859632.db2.gz ZREJKOABRBKPMP-UHFFFAOYSA-N 0 0 286.350 3.378 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001474684206 937874339 /nfs/dbraw/zinc/87/43/39/937874339.db2.gz HPDUQWVDGRRCPR-SECBINFHSA-N 0 0 275.726 3.366 20 10 CGCDRN C[C@H]1CCC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001477610287 937896698 /nfs/dbraw/zinc/89/66/98/937896698.db2.gz MRODQICGUZNLJN-STQMWFEESA-N 0 0 288.391 3.244 20 10 CGCDRN CCCC[C@](C)(F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001527013413 938059740 /nfs/dbraw/zinc/05/97/40/938059740.db2.gz CQIGEZOQXCCENA-INIZCTEOSA-N 0 0 298.377 3.426 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCOc2ccccc21 ZINC001527778407 938063696 /nfs/dbraw/zinc/06/36/96/938063696.db2.gz WXXWQKOOTZQNEL-OWBHPGMISA-N 0 0 294.354 3.301 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)co2)cc1 ZINC001534245895 938095214 /nfs/dbraw/zinc/09/52/14/938095214.db2.gz LYSAXSKOPYJHSC-UHFFFAOYSA-N 0 0 286.375 3.364 20 10 CGCDRN CC(C)c1ccccc1N(C)C(=O)/C=C/c1cn(C)cn1 ZINC001534941853 938098102 /nfs/dbraw/zinc/09/81/02/938098102.db2.gz CUDXFKSGCHHHCH-MDZDMXLPSA-N 0 0 283.375 3.220 20 10 CGCDRN CC[C@H](F)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001543146305 938137947 /nfs/dbraw/zinc/13/79/47/938137947.db2.gz RFMFRGOFUUDRQH-INIZCTEOSA-N 0 0 292.398 3.287 20 10 CGCDRN COCCN(C(=O)/C=C\c1ccc(C)nc1)c1ccccc1 ZINC001543327204 938138789 /nfs/dbraw/zinc/13/87/89/938138789.db2.gz YHWIILQWNBKYTJ-KHPPLWFESA-N 0 0 296.370 3.083 20 10 CGCDRN Cc1cc(CNC(=O)c2ccon2)c(C)n1-c1ccccc1 ZINC001557889669 938212324 /nfs/dbraw/zinc/21/23/24/938212324.db2.gz ZYSBCXWIHDOYKH-UHFFFAOYSA-N 0 0 295.342 3.012 20 10 CGCDRN Cc1nc2cc(C(=O)N[C@H](C)c3ccccc3O)ccc2o1 ZINC001557967007 938212827 /nfs/dbraw/zinc/21/28/27/938212827.db2.gz TZKGBBTXAMXVME-SNVBAGLBSA-N 0 0 296.326 3.333 20 10 CGCDRN C[C@H](CC1CCCC1)C(=O)NCc1c(O)cccc1F ZINC001558454214 938215492 /nfs/dbraw/zinc/21/54/92/938215492.db2.gz BSNDQFBMAQBEKY-LLVKDONJSA-N 0 0 279.355 3.364 20 10 CGCDRN COc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cn1 ZINC001560392621 938256328 /nfs/dbraw/zinc/25/63/28/938256328.db2.gz SSEBQHPTKJDHIU-PLNGDYQASA-N 0 0 283.375 3.282 20 10 CGCDRN CCN(CC)c1ccc(CNc2cccc3n[nH]nc32)cc1 ZINC001560477390 938259596 /nfs/dbraw/zinc/25/95/96/938259596.db2.gz KYUHAKURDJBEHU-UHFFFAOYSA-N 0 0 295.390 3.416 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001560886070 938282096 /nfs/dbraw/zinc/28/20/96/938282096.db2.gz UAFLDOMLWHRFCF-NSHDSACASA-N 0 0 267.319 3.292 20 10 CGCDRN Cn1ncc(NCc2ccc(Cl)cc2O)c1C1CC1 ZINC001560958158 938286328 /nfs/dbraw/zinc/28/63/28/938286328.db2.gz OAUWITLILCRUNW-UHFFFAOYSA-N 0 0 277.755 3.269 20 10 CGCDRN CC1(CNC(=O)NCc2cccc(Cl)c2O)CCCC1 ZINC001563996222 938306662 /nfs/dbraw/zinc/30/66/62/938306662.db2.gz RHSUICKWMZYQCW-UHFFFAOYSA-N 0 0 296.798 3.425 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001603107172 972183764 /nfs/dbraw/zinc/18/37/64/972183764.db2.gz WIVJLKGJCRPMAU-SWLSCSKDSA-N 0 0 291.391 3.058 20 10 CGCDRN Cc1coc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC001570533731 961990863 /nfs/dbraw/zinc/99/08/63/961990863.db2.gz ONTOHXWYHVFJCM-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN Cc1ccc(F)c(NC(=O)NCc2ccc(N)cc2)c1 ZINC001579706931 962658656 /nfs/dbraw/zinc/65/86/56/962658656.db2.gz YJPARTCUPGMRGF-UHFFFAOYSA-N 0 0 273.311 3.038 20 10 CGCDRN COc1c(Cl)cccc1NC(=O)c1cccc(O)c1O ZINC001583349124 962794303 /nfs/dbraw/zinc/79/43/03/962794303.db2.gz CMZNJMGWXMRBDG-UHFFFAOYSA-N 0 0 293.706 3.012 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N(C)c1cccc(Cl)n1 ZINC001584506685 962930087 /nfs/dbraw/zinc/93/00/87/962930087.db2.gz LONKZJOIJRBMNY-SREVYHEPSA-N 0 0 293.779 3.176 20 10 CGCDRN Cc1nc2cc(C(=O)NCc3cc(C)ccc3O)ccc2o1 ZINC001584983892 962974099 /nfs/dbraw/zinc/97/40/99/962974099.db2.gz UYVCOKJAHHYGQP-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN C/C(=C\c1ccco1)C(=O)N(C)Cc1ccccc1O ZINC001588156171 963248460 /nfs/dbraw/zinc/24/84/60/963248460.db2.gz NQPFDTYQZJMJPV-ZRDIBKRKSA-N 0 0 271.316 3.047 20 10 CGCDRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(O)c1O ZINC001588269675 963263465 /nfs/dbraw/zinc/26/34/65/963263465.db2.gz VXZFSGZHFHPUND-LBPRGKRZSA-N 0 0 279.380 3.352 20 10 CGCDRN C[C@H]([NH2+][C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1O ZINC001589123181 963345201 /nfs/dbraw/zinc/34/52/01/963345201.db2.gz JRPABNKOEKHIPO-XZJROXQQSA-N 0 0 297.354 3.356 20 10 CGCDRN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1O ZINC001589128430 963347590 /nfs/dbraw/zinc/34/75/90/963347590.db2.gz JLQFKDAZGNWDSA-JTQLQIEISA-N 0 0 289.306 3.080 20 10 CGCDRN C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1O ZINC001592444775 978105065 /nfs/dbraw/zinc/10/50/65/978105065.db2.gz DTMAFTORJUYSNN-JTQLQIEISA-N 0 0 299.798 3.415 20 10 CGCDRN CCCC[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595747636 982415042 /nfs/dbraw/zinc/41/50/42/982415042.db2.gz HFYTYTUTBDKQAR-BBRMVZONSA-N 0 0 293.407 3.494 20 10 CGCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])[C@H](C)CC ZINC001595891612 982927704 /nfs/dbraw/zinc/92/77/04/982927704.db2.gz WJUQXVCCMIGEER-DOMZBBRYSA-N 0 0 279.380 3.104 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC=C(C(=O)[O-])C1)c1ccc2ccccc2c1O ZINC001593220192 994308648 /nfs/dbraw/zinc/30/86/48/994308648.db2.gz RBWSKBSOJDRUFS-SMDDNHRTSA-N 0 0 297.354 3.369 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC=C(C(=O)[O-])C1)c1ccc2ccccc2c1O ZINC001593220191 994308962 /nfs/dbraw/zinc/30/89/62/994308962.db2.gz RBWSKBSOJDRUFS-RISCZKNCSA-N 0 0 297.354 3.369 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593251869 994500106 /nfs/dbraw/zinc/50/01/06/994500106.db2.gz LJLJAZMIIMUXSK-RYUDHWBXSA-N 0 0 275.348 3.097 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593251867 994500499 /nfs/dbraw/zinc/50/04/99/994500499.db2.gz LJLJAZMIIMUXSK-NEPJUHHUSA-N 0 0 275.348 3.097 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001593258304 994541662 /nfs/dbraw/zinc/54/16/62/994541662.db2.gz ZRZXSISVKJWRTD-SMDDNHRTSA-N 0 0 297.354 3.081 20 10 CGCDRN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001593776941 996481109 /nfs/dbraw/zinc/48/11/09/996481109.db2.gz VHUMUMIOPOVEMF-SFHVURJKSA-N 0 0 299.370 3.232 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)CCCCO)c1ccc(F)cc1[O-] ZINC000296272394 529664444 /nfs/dbraw/zinc/66/44/44/529664444.db2.gz DRPNKGHXGSZCIV-RISCZKNCSA-N 0 0 269.360 3.123 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC1CCCCCC1 ZINC000042996171 344993333 /nfs/dbraw/zinc/99/33/33/344993333.db2.gz PHTBBFWRSFMXCF-UHFFFAOYSA-N 0 0 276.380 3.256 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)n1C ZINC000053662050 345124402 /nfs/dbraw/zinc/12/44/02/345124402.db2.gz LTHKALVFYHCVKE-UHFFFAOYSA-N 0 0 299.418 3.062 20 10 CGCDRN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 ZINC000172631845 346228197 /nfs/dbraw/zinc/22/81/97/346228197.db2.gz OLFWPRFGQBSAKK-UHFFFAOYSA-N 0 0 299.418 3.147 20 10 CGCDRN C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000191204513 299296919 /nfs/dbraw/zinc/29/69/19/299296919.db2.gz XFSFEMVVSIZXGH-RYUDHWBXSA-N 0 0 298.377 3.195 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000125315661 370934180 /nfs/dbraw/zinc/93/41/80/370934180.db2.gz OZBYODWTCSTCEK-ZDUSSCGKSA-N 0 0 291.782 3.496 20 10 CGCDRN O=C(/C=C/c1cncs1)N(CC(F)F)c1ccccc1 ZINC000493336514 244144374 /nfs/dbraw/zinc/14/43/74/244144374.db2.gz OYXNFXUJUNZWPJ-VOTSOKGWSA-N 0 0 294.326 3.455 20 10 CGCDRN Cc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678566 369590899 /nfs/dbraw/zinc/59/08/99/369590899.db2.gz MIBGSVSFKVJCQE-UHFFFAOYSA-N 0 0 282.387 3.333 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](c2ccco2)C1 ZINC000093841456 370164774 /nfs/dbraw/zinc/16/47/74/370164774.db2.gz SZHFLTSGUIGKLV-OAHLLOKOSA-N 0 0 293.750 3.212 20 10 CGCDRN CCc1nc(CN(c2ccc(OC)c(F)c2)C(C)C)no1 ZINC000111215269 370393625 /nfs/dbraw/zinc/39/36/25/370393625.db2.gz FQIZZMGKZSYMBS-UHFFFAOYSA-N 0 0 293.342 3.195 20 10 CGCDRN CN(Cc1csc(C2CC2)n1)c1ccc2c(c1)OCO2 ZINC000137177453 371494406 /nfs/dbraw/zinc/49/44/06/371494406.db2.gz NVKKHFYRNLFYJC-UHFFFAOYSA-N 0 0 288.372 3.386 20 10 CGCDRN COCCc1ccnc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000287646753 371688959 /nfs/dbraw/zinc/68/89/59/371688959.db2.gz UUAINWGPEDHXTQ-ZDUSSCGKSA-N 0 0 286.375 3.458 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCCOC1CCC1 ZINC000288672848 371743553 /nfs/dbraw/zinc/74/35/53/371743553.db2.gz SELKVRBTWVWLCB-UHFFFAOYSA-N 0 0 261.365 3.235 20 10 CGCDRN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000293582126 372417601 /nfs/dbraw/zinc/41/76/01/372417601.db2.gz HVTUSQNSRLJSPH-OAHLLOKOSA-N 0 0 283.799 3.076 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000293781181 372478638 /nfs/dbraw/zinc/47/86/38/372478638.db2.gz BAZGDYKQOLOCPS-UHFFFAOYSA-N 0 0 299.773 3.187 20 10 CGCDRN CO[C@@](C)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000293950560 372534900 /nfs/dbraw/zinc/53/49/00/372534900.db2.gz PBKPDCKWCCVOBL-AWEZNQCLSA-N 0 0 287.762 3.089 20 10 CGCDRN CC(C)(C)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295118204 372694061 /nfs/dbraw/zinc/69/40/61/372694061.db2.gz ILIDGDKGXNRGAT-SNVBAGLBSA-N 0 0 295.354 3.135 20 10 CGCDRN CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000295930956 372961535 /nfs/dbraw/zinc/96/15/35/372961535.db2.gz KFXOSTQETLDUBT-SJORKVTESA-N 0 0 296.414 3.272 20 10 CGCDRN CCOc1cccc(C[NH2+]CCCC(C)(F)F)c1O ZINC000295973725 372978731 /nfs/dbraw/zinc/97/87/31/372978731.db2.gz IUJFLXVJVYMMMP-UHFFFAOYSA-N 0 0 273.323 3.316 20 10 CGCDRN CC(C)c1ccc(C(=O)N(C)Cc2ccccc2O)c(O)c1 ZINC000298777597 373407154 /nfs/dbraw/zinc/40/71/54/373407154.db2.gz GUWSKIURRZKZMX-UHFFFAOYSA-N 0 0 299.370 3.493 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1nnc(C2CC2)s1 ZINC000301723201 373801426 /nfs/dbraw/zinc/80/14/26/373801426.db2.gz KSNFYBPGNYGTGG-UHFFFAOYSA-N 0 0 288.420 3.402 20 10 CGCDRN Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000302466585 373873249 /nfs/dbraw/zinc/87/32/49/373873249.db2.gz VXOVQFIPOKZGRE-GFCCVEGCSA-N 0 0 256.353 3.024 20 10 CGCDRN CCCC(O)(CCC)C[NH2+][C@H](C)c1ccccc1O ZINC000183521912 374422002 /nfs/dbraw/zinc/42/20/02/374422002.db2.gz BOEHEKCNDFEUTI-CYBMUJFWSA-N 0 0 265.397 3.374 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc(F)cc1[O-] ZINC000185119689 374592387 /nfs/dbraw/zinc/59/23/87/374592387.db2.gz KPLOXPUZYWHABV-NEPJUHHUSA-N 0 0 289.350 3.435 20 10 CGCDRN COCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000185752667 374730065 /nfs/dbraw/zinc/73/00/65/374730065.db2.gz NHZGLERAXMKBEW-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN COC(CSc1ncc(C(C)(C)C)s1)OC ZINC000188325278 375197059 /nfs/dbraw/zinc/19/70/59/375197059.db2.gz OBPHFXRXNKQOPL-UHFFFAOYSA-N 0 0 261.412 3.152 20 10 CGCDRN C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000191204497 375595213 /nfs/dbraw/zinc/59/52/13/375595213.db2.gz XFSFEMVVSIZXGH-NEPJUHHUSA-N 0 0 298.377 3.195 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCSCC[C@H]2C)c1O ZINC000191819377 375666638 /nfs/dbraw/zinc/66/66/38/375666638.db2.gz XEUAGCXZMUABDC-GFCCVEGCSA-N 0 0 281.421 3.118 20 10 CGCDRN CCCC[C@H](CCC)NC(=O)Cc1ccc(N)cc1 ZINC000226376988 376355082 /nfs/dbraw/zinc/35/50/82/376355082.db2.gz YCVKZTCYDDMRQK-HNNXBMFYSA-N 0 0 262.397 3.286 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(N3CCCC3)nc2)c1 ZINC000237363457 376740998 /nfs/dbraw/zinc/74/09/98/376740998.db2.gz CYTXWHHFBBZHLA-UHFFFAOYSA-N 0 0 299.374 3.008 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC000261856271 377860729 /nfs/dbraw/zinc/86/07/29/377860729.db2.gz FEKUAFXUXSXAFD-SFHVURJKSA-N 0 0 294.398 3.048 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C1CC1 ZINC000266315581 378018099 /nfs/dbraw/zinc/01/80/99/378018099.db2.gz XWRBHKUTWOBRRR-FMIVXFBMSA-N 0 0 286.419 3.456 20 10 CGCDRN C[C@@H]1CC/C(=C\C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000267822926 378044542 /nfs/dbraw/zinc/04/45/42/378044542.db2.gz AECBZHMHMAJYNV-WDGDVPDHSA-N 0 0 272.392 3.115 20 10 CGCDRN O=C(CCCC1CCCC1)NCc1ccccc1O ZINC000266469482 378022002 /nfs/dbraw/zinc/02/20/02/378022002.db2.gz ARQIDYRNMKDLIJ-UHFFFAOYSA-N 0 0 261.365 3.369 20 10 CGCDRN CCN(Cc1cccnc1)c1ccc(OC)c(OC)c1 ZINC000269593749 378241663 /nfs/dbraw/zinc/24/16/63/378241663.db2.gz JAGKRRIUMZIDTQ-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000271775382 378504369 /nfs/dbraw/zinc/50/43/69/378504369.db2.gz CNMJQTIEELYFED-CYBMUJFWSA-N 0 0 291.782 3.244 20 10 CGCDRN CSCC[C@H](C)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000272212809 378586364 /nfs/dbraw/zinc/58/63/64/378586364.db2.gz AQIHBWTYXXKZSF-JTQLQIEISA-N 0 0 257.374 3.105 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(C)c2)c1 ZINC000273441302 378746102 /nfs/dbraw/zinc/74/61/02/378746102.db2.gz YMWNUYHTIRWPEH-ZDUSSCGKSA-N 0 0 299.370 3.338 20 10 CGCDRN CCn1cc(N[C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000273501061 378750467 /nfs/dbraw/zinc/75/04/67/378750467.db2.gz QEPKZTUTHREJIE-GFCCVEGCSA-N 0 0 259.353 3.399 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273586045 378754550 /nfs/dbraw/zinc/75/45/50/378754550.db2.gz NTSWKAOGNMAGCR-YGRLFVJLSA-N 0 0 296.392 3.237 20 10 CGCDRN CCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000273607885 378756422 /nfs/dbraw/zinc/75/64/22/378756422.db2.gz URRRIBGOBCLOKJ-GFCCVEGCSA-N 0 0 281.371 3.389 20 10 CGCDRN Cc1nc([C@H]2CCCCN2Cc2cc(C)ccc2O)no1 ZINC000371410905 379159306 /nfs/dbraw/zinc/15/93/06/379159306.db2.gz INKLSZJONLSHRS-CQSZACIVSA-N 0 0 287.363 3.119 20 10 CGCDRN CCc1nn(C)cc1N[C@H](CC)c1ccc(F)cc1O ZINC000286318532 380194397 /nfs/dbraw/zinc/19/43/97/380194397.db2.gz XVLLRSHEFYTHOI-GFCCVEGCSA-N 0 0 277.343 3.390 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000285518115 380150616 /nfs/dbraw/zinc/15/06/16/380150616.db2.gz BAYBGSMUGNCNBI-GXTWGEPZSA-N 0 0 267.344 3.141 20 10 CGCDRN CC[C@H]([NH2+]CCCOCC1CC1)c1ccc(F)cc1[O-] ZINC000285694453 380153568 /nfs/dbraw/zinc/15/35/68/380153568.db2.gz OPLSVAVVYQOHMF-HNNXBMFYSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(F)cc1[O-] ZINC000285978886 380155551 /nfs/dbraw/zinc/15/55/51/380155551.db2.gz HOLSUIYPBRFZAS-XHDPSFHLSA-N 0 0 280.387 3.055 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(F)cc1[O-] ZINC000285978881 380155585 /nfs/dbraw/zinc/15/55/85/380155585.db2.gz HOLSUIYPBRFZAS-ABAIWWIYSA-N 0 0 280.387 3.055 20 10 CGCDRN CN(C)c1ccc(CNc2ccc3c(n2)CCCC3=O)cc1 ZINC000296592685 542408901 /nfs/dbraw/zinc/40/89/01/542408901.db2.gz SFLLBOORCNWOJF-UHFFFAOYSA-N 0 0 295.386 3.279 20 10 CGCDRN COc1ccc(N(C)Cc2ncccc2C)cc1F ZINC000093189332 392236094 /nfs/dbraw/zinc/23/60/94/392236094.db2.gz GHRYWXPGIYYFSI-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN CC[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc(Cl)c1[O-] ZINC000287729919 392402927 /nfs/dbraw/zinc/40/29/27/392402927.db2.gz PCLGLFXCLPYRHE-CYBMUJFWSA-N 0 0 299.798 3.239 20 10 CGCDRN COc1ccc(O)c(CNc2nc3ccccc3o2)c1 ZINC000301290655 392587091 /nfs/dbraw/zinc/58/70/91/392587091.db2.gz QEHNBZKKCOMKFZ-UHFFFAOYSA-N 0 0 270.288 3.154 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ncc(Cl)cn2)c1 ZINC000301491047 392592484 /nfs/dbraw/zinc/59/24/84/392592484.db2.gz MXWPVLCNCLJZTO-MRVPVSSYSA-N 0 0 279.727 3.017 20 10 CGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C ZINC000174918861 392647024 /nfs/dbraw/zinc/64/70/24/392647024.db2.gz FQZWWPAMYCUPDW-HUUCEWRRSA-N 0 0 299.418 3.003 20 10 CGCDRN CCOc1cccc(CN2CCn3cccc3[C@@H]2C)c1O ZINC000179565871 392702492 /nfs/dbraw/zinc/70/24/92/392702492.db2.gz VIDBPKQWCYVPMB-ZDUSSCGKSA-N 0 0 286.375 3.169 20 10 CGCDRN Oc1ccccc1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179568724 392704061 /nfs/dbraw/zinc/70/40/61/392704061.db2.gz LCRQRRHJVKZULJ-QGZVFWFLSA-N 0 0 287.334 3.105 20 10 CGCDRN CCc1cnc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000224888608 393011212 /nfs/dbraw/zinc/01/12/12/393011212.db2.gz OQVPSJLKMVHSCX-UHFFFAOYSA-N 0 0 282.796 3.354 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000237884007 393035808 /nfs/dbraw/zinc/03/58/08/393035808.db2.gz APVRESMWPNVVIN-SFHVURJKSA-N 0 0 294.398 3.045 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1ccc(C)cc1O ZINC000280067624 393338818 /nfs/dbraw/zinc/33/88/18/393338818.db2.gz KTMYCRUWSSZBOB-HUUCEWRRSA-N 0 0 265.397 3.148 20 10 CGCDRN COC1(CC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000293816529 292108528 /nfs/dbraw/zinc/10/85/28/292108528.db2.gz WBWXJXPEEGUNOT-SNVBAGLBSA-N 0 0 285.334 3.280 20 10 CGCDRN Nc1ccc(CC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000169819320 397660196 /nfs/dbraw/zinc/66/01/96/397660196.db2.gz KEJMYTGVTFRMTD-UHFFFAOYSA-N 0 0 280.371 3.007 20 10 CGCDRN COc1cccc(SCC(=O)Nc2ccc(N)cc2)c1 ZINC000019846256 170894646 /nfs/dbraw/zinc/89/46/46/170894646.db2.gz BQPWVHZMHGPEPM-UHFFFAOYSA-N 0 0 288.372 3.008 20 10 CGCDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1O ZINC000037061729 172925701 /nfs/dbraw/zinc/92/57/01/172925701.db2.gz URTGLJIHDVTYDF-UHFFFAOYSA-N 0 0 258.277 3.221 20 10 CGCDRN CCOc1ccc(N[C@@H](C)c2ccccc2O)cc1CO ZINC000037901495 260120224 /nfs/dbraw/zinc/12/02/24/260120224.db2.gz ORCRHCINFUFUQL-LBPRGKRZSA-N 0 0 287.359 3.456 20 10 CGCDRN CCCCSCCC(=O)N(C)Cc1ccccc1O ZINC000155013557 261097046 /nfs/dbraw/zinc/09/70/46/261097046.db2.gz XEWGQGAOVWUBQX-UHFFFAOYSA-N 0 0 281.421 3.274 20 10 CGCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000156240591 261117672 /nfs/dbraw/zinc/11/76/72/261117672.db2.gz GTHDMVHGEQUUPG-GOEBONIOSA-N 0 0 274.408 3.142 20 10 CGCDRN Cn1nccc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000156781001 261132312 /nfs/dbraw/zinc/13/23/12/261132312.db2.gz STFMHXBNMGMVSF-UHFFFAOYSA-N 0 0 299.418 3.461 20 10 CGCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1cscn1 ZINC000162326754 261277864 /nfs/dbraw/zinc/27/78/64/261277864.db2.gz FKQOVXCTKZYNDT-LLVKDONJSA-N 0 0 261.394 3.060 20 10 CGCDRN CC[C@H](CSC)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162734722 261293174 /nfs/dbraw/zinc/29/31/74/261293174.db2.gz YKYRKSUVMXNBBO-SNVBAGLBSA-N 0 0 259.802 3.277 20 10 CGCDRN C[C@H]1CC(NC(=O)N(C)Cc2ccccc2O)C[C@H](C)C1 ZINC000172512154 261502588 /nfs/dbraw/zinc/50/25/88/261502588.db2.gz NKXVOHCOMVZCTJ-CHWSQXEVSA-N 0 0 290.407 3.358 20 10 CGCDRN CCCCC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180630179 261868383 /nfs/dbraw/zinc/86/83/83/261868383.db2.gz BABTWMIXUTXOAW-OANVXVOSSA-N 0 0 277.364 3.196 20 10 CGCDRN COc1cc(N(C)Cc2cccs2)cc(OC)c1OC ZINC000180758013 261873266 /nfs/dbraw/zinc/87/32/66/261873266.db2.gz SUFHALMRGPCRNQ-UHFFFAOYSA-N 0 0 293.388 3.410 20 10 CGCDRN CCCCC[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000182547877 261942759 /nfs/dbraw/zinc/94/27/59/261942759.db2.gz NYWWQFXODKEHII-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184841757 262030438 /nfs/dbraw/zinc/03/04/38/262030438.db2.gz VRNDWBDBBTZNNL-YUMQZZPRSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185456573 262054872 /nfs/dbraw/zinc/05/48/72/262054872.db2.gz ARZXPPQIMNHZRM-SFYZADRCSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185456590 262055509 /nfs/dbraw/zinc/05/55/09/262055509.db2.gz ARZXPPQIMNHZRM-JGVFFNPUSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1cc2c(cc1O)CCCC2 ZINC000185609109 262061779 /nfs/dbraw/zinc/06/17/79/262061779.db2.gz MATCHYGVMYFUCI-ZDUSSCGKSA-N 0 0 291.435 3.330 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1C1CCCCC1 ZINC000186975026 262119307 /nfs/dbraw/zinc/11/93/07/262119307.db2.gz WQNFFIRLBZQBGI-CQSZACIVSA-N 0 0 289.375 3.283 20 10 CGCDRN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000186982093 262119827 /nfs/dbraw/zinc/11/98/27/262119827.db2.gz SFCYUKRGCYJZDB-HNNXBMFYSA-N 0 0 297.354 3.384 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)c1 ZINC000186143369 262312340 /nfs/dbraw/zinc/31/23/40/262312340.db2.gz NALXOFGKXLBRBX-QWHCGFSZSA-N 0 0 265.397 3.148 20 10 CGCDRN Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000277004652 263039209 /nfs/dbraw/zinc/03/92/09/263039209.db2.gz ZYVCCCGNLNHUSZ-NKWVEPMBSA-N 0 0 299.346 3.242 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000296249101 287714143 /nfs/dbraw/zinc/71/41/43/287714143.db2.gz CUPQYFCMWLYQSC-PGUXBMHVSA-N 0 0 296.367 3.012 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287136905 288043666 /nfs/dbraw/zinc/04/36/66/288043666.db2.gz YZZQVPKNEZKZRV-HQJQHLMTSA-N 0 0 278.179 3.121 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287587640 288049415 /nfs/dbraw/zinc/04/94/15/288049415.db2.gz HTIFYUZCYDODEN-MFKMUULPSA-N 0 0 269.772 3.123 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cnccn1)CC[C@@H]2C ZINC000297873168 281278591 /nfs/dbraw/zinc/27/85/91/281278591.db2.gz PBKOCKKBHGHRKI-YBJDMEARSA-N 0 0 293.370 3.339 20 10 CGCDRN C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000276881406 328219822 /nfs/dbraw/zinc/21/98/22/328219822.db2.gz GEKNIKPIYVOSDP-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN O=C(NCc1ccccc1O)NC(C1CCC1)C1CCC1 ZINC000287506235 328251722 /nfs/dbraw/zinc/25/17/22/328251722.db2.gz WFJXLLIQDMXCBQ-UHFFFAOYSA-N 0 0 288.391 3.160 20 10 CGCDRN CSc1cccc(N(C)C(=O)/C=C\c2cccnc2)c1 ZINC000255476207 326981228 /nfs/dbraw/zinc/98/12/28/326981228.db2.gz ALPNIXCDMMUWMA-HJWRWDBZSA-N 0 0 284.384 3.480 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1 ZINC000255840000 327020310 /nfs/dbraw/zinc/02/03/10/327020310.db2.gz ALKCTXICXRWUOA-HJWRWDBZSA-N 0 0 270.307 3.287 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000168815246 329059546 /nfs/dbraw/zinc/05/95/46/329059546.db2.gz VMELXQSZPSXNJP-KOLCDFICSA-N 0 0 255.358 3.078 20 10 CGCDRN O=C1Nc2ccccc2CC[C@H]1Sc1nccs1 ZINC000187911392 329361223 /nfs/dbraw/zinc/36/12/23/329361223.db2.gz XKYMZVSCTLEBRP-LLVKDONJSA-N 0 0 276.386 3.189 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@]1(C)CC1(F)F ZINC000421540337 329838454 /nfs/dbraw/zinc/83/84/54/329838454.db2.gz SOKWZZIXNCZNES-OAHLLOKOSA-N 0 0 292.329 3.148 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1[C@@H](C)C[C@@H]1C ZINC000527457495 330245654 /nfs/dbraw/zinc/24/56/54/330245654.db2.gz QCOYASDURYURKM-RYUDHWBXSA-N 0 0 285.391 3.179 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)[C@@H]1C ZINC000458730479 331258220 /nfs/dbraw/zinc/25/82/20/331258220.db2.gz GADMLTNCXRJIDN-AAEUAGOBSA-N 0 0 285.391 3.037 20 10 CGCDRN O=C(/C=C/c1cccnc1)N(CC(F)F)c1ccccc1 ZINC000492051118 332380600 /nfs/dbraw/zinc/38/06/00/332380600.db2.gz RALAKZJXHYCJSJ-CMDGGOBGSA-N 0 0 288.297 3.393 20 10 CGCDRN CCc1nn(C)cc1N[C@@H](C)c1cc(F)ccc1O ZINC000230671489 333320636 /nfs/dbraw/zinc/32/06/36/333320636.db2.gz NELFVQBAAICRND-VIFPVBQESA-N 0 0 263.316 3.000 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccccc2F)c1 ZINC000124556669 333559812 /nfs/dbraw/zinc/55/98/12/333559812.db2.gz QILHDGGCPCLKES-BQYQJAHWSA-N 0 0 270.307 3.205 20 10 CGCDRN CCOc1ccc(N(CC)C[C@H](O)CC(F)(F)F)cc1 ZINC000276231330 521027210 /nfs/dbraw/zinc/02/72/10/521027210.db2.gz NCYWYNBJZQWWSX-GFCCVEGCSA-N 0 0 291.313 3.225 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2CC2)c1[O-] ZINC000079398786 518280636 /nfs/dbraw/zinc/28/06/36/518280636.db2.gz OWAFZADNNVUSFD-UHFFFAOYSA-N 0 0 265.328 3.107 20 10 CGCDRN CC(C)CCC[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000040314275 519647021 /nfs/dbraw/zinc/64/70/21/519647021.db2.gz JHLVBPKZRJIFRS-ZDUSSCGKSA-N 0 0 262.397 3.142 20 10 CGCDRN CC(C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000053505802 519710006 /nfs/dbraw/zinc/71/00/06/519710006.db2.gz KRMJAPATAPTUOJ-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN CC(C)c1occc1C(=O)NCc1ccccc1O ZINC000280065156 519914555 /nfs/dbraw/zinc/91/45/55/519914555.db2.gz PDDVZWQMKRTZOW-UHFFFAOYSA-N 0 0 259.305 3.039 20 10 CGCDRN CCOC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000276547918 520089028 /nfs/dbraw/zinc/08/90/28/520089028.db2.gz FAEAYETYWRIHBL-BXUZGUMPSA-N 0 0 296.367 3.012 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CCCOCC ZINC000282471908 520547388 /nfs/dbraw/zinc/54/73/88/520547388.db2.gz KSUBWXWQLFHHHU-UHFFFAOYSA-N 0 0 293.407 3.338 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]CC(C)(C)CC(=O)[O-])cc1 ZINC000277475699 520906644 /nfs/dbraw/zinc/90/66/44/520906644.db2.gz WHLJJJAUSUYGMZ-UHFFFAOYSA-N 0 0 292.423 3.123 20 10 CGCDRN CCOc1ccc(N(CC)Cc2noc(C3CC3)n2)cc1 ZINC000299409057 521029134 /nfs/dbraw/zinc/02/91/34/521029134.db2.gz OEFFQGGFVBVTBR-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C(C)(F)F ZINC000293270400 521318330 /nfs/dbraw/zinc/31/83/30/521318330.db2.gz NJHNNOJOYXLOCU-GFCCVEGCSA-N 0 0 298.377 3.392 20 10 CGCDRN CCCc1nnc(NCc2c(C)c3ccccc3n2C)o1 ZINC000279914757 521566335 /nfs/dbraw/zinc/56/63/35/521566335.db2.gz VOZRIYJULTYRNI-UHFFFAOYSA-N 0 0 284.363 3.434 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1scnc1C ZINC000264104338 521690130 /nfs/dbraw/zinc/69/01/30/521690130.db2.gz PSWPJXRVKUJKJI-UHFFFAOYSA-N 0 0 290.388 3.210 20 10 CGCDRN CCC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000078357411 521704448 /nfs/dbraw/zinc/70/44/48/521704448.db2.gz DRNFGNGEQRYSOI-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000273428395 522137332 /nfs/dbraw/zinc/13/73/32/522137332.db2.gz UZIZTIJNINLZRD-CYBMUJFWSA-N 0 0 299.370 3.338 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2C=CCC2)cc1 ZINC000078963405 522167514 /nfs/dbraw/zinc/16/75/14/522167514.db2.gz ZYVLIOPAUSKZRL-CQSZACIVSA-N 0 0 272.392 3.067 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000291857812 522208051 /nfs/dbraw/zinc/20/80/51/522208051.db2.gz HIDBWVXGOGUZIU-MRVPVSSYSA-N 0 0 296.317 3.380 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000282434210 523383554 /nfs/dbraw/zinc/38/35/54/523383554.db2.gz JDYFXLJNVXDOSJ-NSHDSACASA-N 0 0 283.318 3.176 20 10 CGCDRN C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126752958 524165412 /nfs/dbraw/zinc/16/54/12/524165412.db2.gz PSIIVRUCCPCIMX-YOEHRIQHSA-N 0 0 299.418 3.051 20 10 CGCDRN COc1ccc(N(Cc2ccon2)C(C)C)cc1F ZINC000077276343 524368994 /nfs/dbraw/zinc/36/89/94/524368994.db2.gz XTIXTTQMQUYICY-UHFFFAOYSA-N 0 0 264.300 3.237 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C=C1CCCCC1 ZINC000274905788 524698151 /nfs/dbraw/zinc/69/81/51/524698151.db2.gz HMDAZYGVLCLHSF-GFCCVEGCSA-N 0 0 289.375 3.036 20 10 CGCDRN C[C@H](NC(=O)COc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277764318 524970821 /nfs/dbraw/zinc/97/08/21/524970821.db2.gz KSCAMLILQORMAH-AWEZNQCLSA-N 0 0 298.386 3.009 20 10 CGCDRN Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1C ZINC000042879221 525282576 /nfs/dbraw/zinc/28/25/76/525282576.db2.gz WSKCZEMKTZBPCB-UHFFFAOYSA-N 0 0 271.316 3.350 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(F)cc1[O-] ZINC000290179189 525424349 /nfs/dbraw/zinc/42/43/49/525424349.db2.gz FEOWQZZNYKIHCW-RYUDHWBXSA-N 0 0 287.334 3.358 20 10 CGCDRN CSCCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274793899 525426887 /nfs/dbraw/zinc/42/68/87/525426887.db2.gz OZJSCGJDCVMFBC-NSHDSACASA-N 0 0 298.408 3.484 20 10 CGCDRN CSCCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274793898 525428902 /nfs/dbraw/zinc/42/89/02/525428902.db2.gz OZJSCGJDCVMFBC-LLVKDONJSA-N 0 0 298.408 3.484 20 10 CGCDRN CCN(CCc1cccs1)C(=O)C1=CC(=O)CS1 ZINC000746682888 572891690 /nfs/dbraw/zinc/89/16/90/572891690.db2.gz WBEOHHNMEWFJBB-UHFFFAOYSA-N 0 0 281.402 3.220 20 10 CGCDRN COc1cccc(CNc2noc(-c3ccccc3)n2)c1O ZINC000157377154 526045640 /nfs/dbraw/zinc/04/56/40/526045640.db2.gz DAVPOKXFOFRNCJ-UHFFFAOYSA-N 0 0 297.314 3.063 20 10 CGCDRN Clc1cncc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000048893277 526999603 /nfs/dbraw/zinc/99/96/03/526999603.db2.gz LBHFFYPSGGCFOJ-UHFFFAOYSA-N 0 0 288.782 3.342 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCCCCCO ZINC000299521361 527017954 /nfs/dbraw/zinc/01/79/54/527017954.db2.gz LJFDVKROPACECX-UHFFFAOYSA-N 0 0 276.405 3.342 20 10 CGCDRN Nc1ccc(CC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000036796698 527474431 /nfs/dbraw/zinc/47/44/31/527474431.db2.gz NDGIALUEIONWIC-UHFFFAOYSA-N 0 0 280.371 3.003 20 10 CGCDRN Nc1ccc(CC(=O)N(Cc2ccccc2F)C2CC2)cc1 ZINC000237881635 527474585 /nfs/dbraw/zinc/47/45/85/527474585.db2.gz FLGOTBJBQWXJTF-UHFFFAOYSA-N 0 0 298.361 3.142 20 10 CGCDRN O=C(NCCC1=CCCCC1)NCc1ccccc1O ZINC000299536805 527624391 /nfs/dbraw/zinc/62/43/91/527624391.db2.gz UIYNGPBQZYCGNO-UHFFFAOYSA-N 0 0 274.364 3.082 20 10 CGCDRN 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C[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000729425354 571918226 /nfs/dbraw/zinc/91/82/26/571918226.db2.gz XLYJSCGVKYZQMQ-FMFIFOJESA-N 0 0 296.345 3.459 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1nccn1C(C)C ZINC000730566866 572363355 /nfs/dbraw/zinc/36/33/55/572363355.db2.gz MIXVNPONQDUZLQ-UHFFFAOYSA-N 0 0 285.391 3.425 20 10 CGCDRN COc1ccc(N(C[C@@H]2CCOC2)C(C)C)cc1F ZINC000725816119 572416418 /nfs/dbraw/zinc/41/64/18/572416418.db2.gz IOUXWRFOXOLAFJ-LBPRGKRZSA-N 0 0 267.344 3.086 20 10 CGCDRN CCCN(CCC)C(=O)CN(C)c1ccc(OCC)cc1 ZINC000739923840 572426819 /nfs/dbraw/zinc/42/68/19/572426819.db2.gz MNLRNCUELMLSNQ-UHFFFAOYSA-N 0 0 292.423 3.170 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(Cc1ccccc1F)C1CC1 ZINC000731864367 572430185 /nfs/dbraw/zinc/43/01/85/572430185.db2.gz RYAFWTHITJRCFT-UHFFFAOYSA-N 0 0 291.347 3.398 20 10 CGCDRN O=C(NCC1(c2ccccc2)CCC1)C1=CC(=O)CS1 ZINC000731867229 572433542 /nfs/dbraw/zinc/43/35/42/572433542.db2.gz OGYZIFRQMKGJRB-UHFFFAOYSA-N 0 0 287.384 3.305 20 10 CGCDRN Cc1cccc(C)c1OCCOC(=O)C1=CC(=O)CS1 ZINC000731912592 572436298 /nfs/dbraw/zinc/43/62/98/572436298.db2.gz UJHOMRXUPACDQE-UHFFFAOYSA-N 0 0 292.356 3.306 20 10 CGCDRN O=C(Nc1cccc(Br)c1)C1=CC(=O)CS1 ZINC000732263174 572455267 /nfs/dbraw/zinc/45/52/67/572455267.db2.gz KUGTWKKWZZRLGK-UHFFFAOYSA-N 0 0 298.161 3.469 20 10 CGCDRN CN(CCC1CCCCC1)C(=O)C1=CC(=O)CS1 ZINC000732281916 572458335 /nfs/dbraw/zinc/45/83/35/572458335.db2.gz GAHAKEXMKCUDIO-UHFFFAOYSA-N 0 0 267.394 3.496 20 10 CGCDRN O=C(N[C@@H]1CCCOc2ccccc21)C1=CC(=O)CS1 ZINC000732281168 572458452 /nfs/dbraw/zinc/45/84/52/572458452.db2.gz QYQOTXTXADKEGC-GFCCVEGCSA-N 0 0 289.356 3.097 20 10 CGCDRN CCc1cc(NCc2ccc(N3CC=CC3)cc2)ncn1 ZINC000740870223 572463086 /nfs/dbraw/zinc/46/30/86/572463086.db2.gz BQBRLDGHOQGTFE-UHFFFAOYSA-N 0 0 280.375 3.027 20 10 CGCDRN C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000740918472 572468738 /nfs/dbraw/zinc/46/87/38/572468738.db2.gz FTHYEVPBFOMINH-HUUCEWRRSA-N 0 0 299.418 3.003 20 10 CGCDRN Cc1cc(C)cc(CCNC(=O)C2=CC(=O)CS2)c1 ZINC000740936080 572469593 /nfs/dbraw/zinc/46/95/93/572469593.db2.gz FPWGQDXOVLKGJG-UHFFFAOYSA-N 0 0 275.373 3.043 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC1(C)C ZINC000732894345 572489608 /nfs/dbraw/zinc/48/96/08/572489608.db2.gz WGVLNKMXCPOOBW-CQSZACIVSA-N 0 0 290.407 3.360 20 10 CGCDRN C[C@@H](C(=O)NCCCSc1nccs1)c1ccco1 ZINC000741693428 572519378 /nfs/dbraw/zinc/51/93/78/572519378.db2.gz QQDDDDINKVMOMQ-SNVBAGLBSA-N 0 0 296.417 3.138 20 10 CGCDRN CCC[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000733362700 572559330 /nfs/dbraw/zinc/55/93/30/572559330.db2.gz WRFIQXJDWUDNHU-GHMZBOCLSA-N 0 0 265.353 3.014 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2O)s1 ZINC000726237337 572568602 /nfs/dbraw/zinc/56/86/02/572568602.db2.gz KUJOPCNIQSQTSM-LLVKDONJSA-N 0 0 290.388 3.323 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C\C2CC2)cc1 ZINC000742498868 572589981 /nfs/dbraw/zinc/58/99/81/572589981.db2.gz SSDKPOIVOKOYOF-RAXLEYEMSA-N 0 0 286.419 3.457 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000734016850 572624428 /nfs/dbraw/zinc/62/44/28/572624428.db2.gz JIUZCGXCXCSHRR-GFCCVEGCSA-N 0 0 293.407 3.479 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)C(C)C ZINC000734948476 572694795 /nfs/dbraw/zinc/69/47/95/572694795.db2.gz VYIAKMZMBCCCMA-UHFFFAOYSA-N 0 0 291.439 3.295 20 10 CGCDRN Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000736286328 572778913 /nfs/dbraw/zinc/77/89/13/572778913.db2.gz PGJHSPJFBHJJMH-UHFFFAOYSA-N 0 0 282.391 3.020 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(C)n2)cc1OC ZINC000736946806 572827588 /nfs/dbraw/zinc/82/75/88/572827588.db2.gz USQFWBILQHGODX-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CCN(Cc1cccc(C)n1)c1ccc(OC)c(OC)c1 ZINC000745984364 572847059 /nfs/dbraw/zinc/84/70/59/572847059.db2.gz PTBXJPQHZACVEW-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN CC[N@H+](CCC(=O)[O-])Cc1cc(C)cc(C(C)(C)C)c1O ZINC000737096637 572860417 /nfs/dbraw/zinc/86/04/17/572860417.db2.gz PMPPLEZBILKBPL-UHFFFAOYSA-N 0 0 293.407 3.295 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ccncc1Cl ZINC000746662534 572889597 /nfs/dbraw/zinc/88/95/97/572889597.db2.gz CZGYDVCEYUZOFL-UHFFFAOYSA-N 0 0 274.751 3.306 20 10 CGCDRN Cc1[nH]c2c(cccc2C(=O)NCc2ccccc2O)c1C ZINC000748345629 572974525 /nfs/dbraw/zinc/97/45/25/572974525.db2.gz FVLJNRMBVSWWNP-UHFFFAOYSA-N 0 0 294.354 3.420 20 10 CGCDRN Cc1ccc(CCCC(=O)NCc2ccccc2O)cc1 ZINC000748344730 572974635 /nfs/dbraw/zinc/97/46/35/572974635.db2.gz AGEKWYUJQVQKJS-UHFFFAOYSA-N 0 0 283.371 3.340 20 10 CGCDRN CC(C)Oc1cccc(CC(=O)NCc2ccccc2O)c1 ZINC000748346604 572974639 /nfs/dbraw/zinc/97/46/39/572974639.db2.gz PCLBBYLOTMCGIW-UHFFFAOYSA-N 0 0 299.370 3.038 20 10 CGCDRN CCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000749342289 572992323 /nfs/dbraw/zinc/99/23/23/572992323.db2.gz OJCRRSMBMMIIQC-UHFFFAOYSA-N 0 0 270.376 3.461 20 10 CGCDRN O=C(NCc1ccccc1O)C1(c2ccccc2)CCC1 ZINC000749531910 573016940 /nfs/dbraw/zinc/01/69/40/573016940.db2.gz WZSLERQWMSKBIF-UHFFFAOYSA-N 0 0 281.355 3.130 20 10 CGCDRN CCn1cc(/C=C2\c3cc(C)ccc3N(C)C2=O)c(C)n1 ZINC000899377666 620674268 /nfs/dbraw/zinc/67/42/68/620674268.db2.gz CSRLQWBXKYOLCD-OQLLNIDSSA-N 0 0 281.359 3.037 20 10 CGCDRN CC[C@H]([NH2+]CCC1(C)OCCO1)c1cccc(Cl)c1[O-] ZINC000806160739 617681295 /nfs/dbraw/zinc/68/12/95/617681295.db2.gz UDMJYCKDVFPZQG-ZDUSSCGKSA-N 0 0 299.798 3.239 20 10 CGCDRN Cc1ccc([C@H](C)C(=O)NCc2cccc(Cl)c2O)o1 ZINC000890759664 617815703 /nfs/dbraw/zinc/81/57/03/617815703.db2.gz GQTJZHVEOLHTBN-JTQLQIEISA-N 0 0 293.750 3.367 20 10 CGCDRN CC(C)C(C)(C)C(=O)NCc1cccc(Cl)c1O ZINC000890759780 617816716 /nfs/dbraw/zinc/81/67/16/617816716.db2.gz RJCKVSGKTDRTBV-UHFFFAOYSA-N 0 0 269.772 3.344 20 10 CGCDRN C[C@H](Cc1ccco1)C(=O)NCc1cccc(Cl)c1O ZINC000890761377 617817580 /nfs/dbraw/zinc/81/75/80/617817580.db2.gz PWHWBTQMUFHQDC-SNVBAGLBSA-N 0 0 293.750 3.134 20 10 CGCDRN C[C@@H](CC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC000890763453 617819662 /nfs/dbraw/zinc/81/96/62/617819662.db2.gz WNZXIQQDEMCSMW-ZETCQYMHSA-N 0 0 295.688 3.250 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806129232 617829435 /nfs/dbraw/zinc/82/94/35/617829435.db2.gz CUKGJRXHBYCJOV-STQMWFEESA-N 0 0 295.766 3.413 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1 ZINC000049807872 617944062 /nfs/dbraw/zinc/94/40/62/617944062.db2.gz QLFZPAXTWPSTQC-KRXBUXKQSA-N 0 0 289.718 3.403 20 10 CGCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C/c1cccnc1 ZINC000178234667 618244711 /nfs/dbraw/zinc/24/47/11/618244711.db2.gz JDATXESZJMYIDW-IZPAUZPXSA-N 0 0 294.354 3.217 20 10 CGCDRN c1nc2ccnc(NCc3ccc(N4CCCC4)cc3)c2[nH]1 ZINC000891796156 618301784 /nfs/dbraw/zinc/30/17/84/618301784.db2.gz JAEUTHAFPQAHSN-UHFFFAOYSA-N 0 0 293.374 3.170 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1cncc(C)c1 ZINC000121279201 618478748 /nfs/dbraw/zinc/47/87/48/618478748.db2.gz WGAMEXSJRBFVFG-MDZDMXLPSA-N 0 0 296.370 3.465 20 10 CGCDRN CCc1cccc(CN2CCC=C(Br)C2)c1O ZINC000848908658 618619289 /nfs/dbraw/zinc/61/92/89/618619289.db2.gz AAOWEGCLQSEPJI-UHFFFAOYSA-N 0 0 296.208 3.439 20 10 CGCDRN COC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176673432 618706204 /nfs/dbraw/zinc/70/62/04/618706204.db2.gz HAZUPNIDJHJSGG-CQSZACIVSA-N 0 0 299.370 3.128 20 10 CGCDRN COc1ccc(N(C)Cc2c(C)nc3ccccn32)cc1F ZINC000162022956 618736099 /nfs/dbraw/zinc/73/60/99/618736099.db2.gz HYDIIAVTIFMUSV-UHFFFAOYSA-N 0 0 299.349 3.427 20 10 CGCDRN COc1ccc(N(C)Cc2nc3ccccc3n2C)cc1F ZINC000177068442 618785456 /nfs/dbraw/zinc/78/54/56/618785456.db2.gz MXBWRCTUMKRYHH-UHFFFAOYSA-N 0 0 299.349 3.357 20 10 CGCDRN CCc1nnc(NCc2ccc(N(C)C)cc2C)s1 ZINC000840878722 618796832 /nfs/dbraw/zinc/79/68/32/618796832.db2.gz KEJWCHSYPUIACY-UHFFFAOYSA-N 0 0 276.409 3.087 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H](O)c2ccccc2)cc1 ZINC000150731223 618801606 /nfs/dbraw/zinc/80/16/06/618801606.db2.gz DYBSKKJTMPHTPC-QGZVFWFLSA-N 0 0 271.360 3.255 20 10 CGCDRN C[C@H](NCc1cc[nH]n1)c1ccc(N2CCCCC2)cc1 ZINC000177954020 618851957 /nfs/dbraw/zinc/85/19/57/618851957.db2.gz WBCGESCLDLGHRM-AWEZNQCLSA-N 0 0 284.407 3.251 20 10 CGCDRN Cc1nc(NC(=O)[C@H](C)Sc2nccs2)sc1C ZINC000048875787 618872412 /nfs/dbraw/zinc/87/24/12/618872412.db2.gz GDCACLFQYALBSN-QMMMGPOBSA-N 0 0 299.446 3.336 20 10 CGCDRN CC[C@H](N[C@@H](C)c1csnn1)c1ccc(F)cc1O ZINC000840886430 618888037 /nfs/dbraw/zinc/88/80/37/618888037.db2.gz VYHXABKGDKFLNH-KWQFWETISA-N 0 0 281.356 3.185 20 10 CGCDRN COc1ccc(N(CCC(OC)OC)CC(C)C)cc1 ZINC000851828514 618924619 /nfs/dbraw/zinc/92/46/19/618924619.db2.gz ABYVEENNELEHPV-UHFFFAOYSA-N 0 0 281.396 3.167 20 10 CGCDRN CC1(C)SC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000309831444 618972855 /nfs/dbraw/zinc/97/28/55/618972855.db2.gz YPXCLCWEHBSUHP-NSHDSACASA-N 0 0 257.786 3.029 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+]C1(C2CC2)CC1 ZINC000309497569 619031026 /nfs/dbraw/zinc/03/10/26/619031026.db2.gz KQQCVBWHWBAPFW-UHFFFAOYSA-N 0 0 282.181 3.187 20 10 CGCDRN CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185527845 619061993 /nfs/dbraw/zinc/06/19/93/619061993.db2.gz OPUXDWUKNPKDCE-LRDDRELGSA-N 0 0 283.387 3.369 20 10 CGCDRN Cc1occc1-c1nnc(NCc2cc(C)ccc2O)o1 ZINC000185864050 619065952 /nfs/dbraw/zinc/06/59/52/619065952.db2.gz JODZMRDVEPVDIO-UHFFFAOYSA-N 0 0 285.303 3.264 20 10 CGCDRN CCc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186433392 619070522 /nfs/dbraw/zinc/07/05/22/619070522.db2.gz PJKKFXTVIZXPJZ-LBPRGKRZSA-N 0 0 299.370 3.021 20 10 CGCDRN CCC(C)(C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000190682107 619102233 /nfs/dbraw/zinc/10/22/33/619102233.db2.gz FKFXXSBPVBUJMU-UHFFFAOYSA-N 0 0 291.439 3.330 20 10 CGCDRN COC[C@](C)(NCc1ccc(OC)c(C)c1)C(F)(F)F ZINC000931068748 619108863 /nfs/dbraw/zinc/10/88/63/619108863.db2.gz MWCPVEPLZKCDJW-ZDUSSCGKSA-N 0 0 291.313 3.061 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)C ZINC000053511918 619113776 /nfs/dbraw/zinc/11/37/76/619113776.db2.gz OZXRMLZPLQJTGZ-UHFFFAOYSA-N 0 0 291.439 3.330 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccsc1 ZINC000162821355 619218056 /nfs/dbraw/zinc/21/80/56/619218056.db2.gz UFEYLPGJVRBWLA-UHFFFAOYSA-N 0 0 253.754 3.397 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000185224282 619222624 /nfs/dbraw/zinc/22/26/24/619222624.db2.gz PNGDCULDDRWKPI-FZMZJTMJSA-N 0 0 287.334 3.186 20 10 CGCDRN CC(C)CN(C(=O)c1cccc(O)c1O)c1ccccc1 ZINC000314926249 619239256 /nfs/dbraw/zinc/23/92/56/619239256.db2.gz LDCMMDOZGZNHSO-UHFFFAOYSA-N 0 0 285.343 3.401 20 10 CGCDRN CC(C)(C)CCS(=O)(=O)Nc1ccc(O)cc1Cl ZINC000232511763 619292704 /nfs/dbraw/zinc/29/27/04/619292704.db2.gz BFIRZXLROGDQAQ-UHFFFAOYSA-N 0 0 291.800 3.224 20 10 CGCDRN COc1ccc(Cl)cc1CC(=O)Nc1ccc(N)cc1 ZINC000237084559 619403081 /nfs/dbraw/zinc/40/30/81/619403081.db2.gz FLGRXGCGPCGWFR-UHFFFAOYSA-N 0 0 290.750 3.112 20 10 CGCDRN Cc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])nc1 ZINC000894540706 619568702 /nfs/dbraw/zinc/56/87/02/619568702.db2.gz LTYRGYRHROUADP-UHFFFAOYSA-N 0 0 278.302 3.006 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C3CCC3)c2)cc1 ZINC000895136638 619749168 /nfs/dbraw/zinc/74/91/68/619749168.db2.gz DCUGFHGWYFURNP-UHFFFAOYSA-N 0 0 271.364 3.253 20 10 CGCDRN Nc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000314666690 619776285 /nfs/dbraw/zinc/77/62/85/619776285.db2.gz OYHACHVMYPAODW-UHFFFAOYSA-N 0 0 296.370 3.165 20 10 CGCDRN CC(C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895469904 619835118 /nfs/dbraw/zinc/83/51/18/619835118.db2.gz NYMGBRHYSCVFEK-UHFFFAOYSA-N 0 0 279.361 3.088 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@H](c3nccs3)C2)ccc(F)c1F ZINC000895582754 619856457 /nfs/dbraw/zinc/85/64/57/619856457.db2.gz LTSFWPWUSRARNU-JTQLQIEISA-N 0 0 296.342 3.116 20 10 CGCDRN CCc1csc(NCc2c(O)cccc2F)n1 ZINC000895833138 619894268 /nfs/dbraw/zinc/89/42/68/619894268.db2.gz UPOVQEKOSNOBDL-UHFFFAOYSA-N 0 0 252.314 3.162 20 10 CGCDRN CC[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896134069 619955702 /nfs/dbraw/zinc/95/57/02/619955702.db2.gz XGYWYZHWKZMOGO-JTQLQIEISA-N 0 0 291.372 3.327 20 10 CGCDRN Oc1ccc(F)cc1CN1CCS[C@H](C(F)(F)F)C1 ZINC000896455886 620011664 /nfs/dbraw/zinc/01/16/64/620011664.db2.gz JTKPOUIWEAEVSJ-NSHDSACASA-N 0 0 295.301 3.011 20 10 CGCDRN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896644036 620040133 /nfs/dbraw/zinc/04/01/33/620040133.db2.gz VYXWKINQSSTYKN-XHDPSFHLSA-N 0 0 281.371 3.215 20 10 CGCDRN COc1cc(C)ccc1C[NH2+]Cc1c([O-])cccc1F ZINC000896639812 620041817 /nfs/dbraw/zinc/04/18/17/620041817.db2.gz XXJSUZPQBFZHQB-UHFFFAOYSA-N 0 0 275.323 3.138 20 10 CGCDRN Cc1cc(O)c(C[NH2+]Cc2c([O-])cccc2F)cc1C ZINC000896641840 620042245 /nfs/dbraw/zinc/04/22/45/620042245.db2.gz TWLGKLCKUGAZBE-UHFFFAOYSA-N 0 0 275.323 3.144 20 10 CGCDRN COc1ccc2c(CC(=O)Nc3ccc(N)cc3)coc2c1 ZINC000237271551 620077240 /nfs/dbraw/zinc/07/72/40/620077240.db2.gz SXEMCKFZHAECEX-UHFFFAOYSA-N 0 0 296.326 3.205 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1ccc(F)cc1[O-] ZINC000796750468 620142919 /nfs/dbraw/zinc/14/29/19/620142919.db2.gz ZEEVZYAOMSSVBG-DOMZBBRYSA-N 0 0 282.403 3.302 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H]2CCCC(C)(C)C2)c1O ZINC000179063493 620185851 /nfs/dbraw/zinc/18/58/51/620185851.db2.gz QHQGAGWUYMEYFF-GFCCVEGCSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cc(F)ccc1O ZINC000185644428 625405306 /nfs/dbraw/zinc/40/53/06/625405306.db2.gz QUDLXQFQUALZIL-UVBJJODRSA-N 0 0 281.371 3.123 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC1(C)C ZINC000751750481 620222770 /nfs/dbraw/zinc/22/27/70/620222770.db2.gz SOHFPKJEDKRVQT-HNNXBMFYSA-N 0 0 274.408 3.147 20 10 CGCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000185679346 625412499 /nfs/dbraw/zinc/41/24/99/625412499.db2.gz KUIYJUWLYJFAGH-XJKSGUPXSA-N 0 0 289.423 3.083 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CCOCC1 ZINC000897442568 620337286 /nfs/dbraw/zinc/33/72/86/620337286.db2.gz YCQFFBFMNWPUSH-UHFFFAOYSA-N 0 0 299.361 3.213 20 10 CGCDRN CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841747474 620352920 /nfs/dbraw/zinc/35/29/20/620352920.db2.gz BMEXPNLQSDGFMK-ABAIWWIYSA-N 0 0 297.826 3.493 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897510176 620359573 /nfs/dbraw/zinc/35/95/73/620359573.db2.gz MMLZTDHFYPQUNV-TZMCWYRMSA-N 0 0 299.773 3.232 20 10 CGCDRN CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c(O)c1 ZINC000897952693 620454020 /nfs/dbraw/zinc/45/40/20/620454020.db2.gz IWCLGMBJCBXYHJ-BYCMXARLSA-N 0 0 261.365 3.069 20 10 CGCDRN COC[C@@H](CC(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219589 620489439 /nfs/dbraw/zinc/48/94/39/620489439.db2.gz ZZMYQDKRXWCCOJ-GFCCVEGCSA-N 0 0 271.788 3.196 20 10 CGCDRN FCCn1cc(CSc2ncc(Cl)s2)cn1 ZINC000901584256 620948603 /nfs/dbraw/zinc/94/86/03/620948603.db2.gz ZURHVEWXGGLZLB-UHFFFAOYSA-N 0 0 277.777 3.255 20 10 CGCDRN CC(C)Nc1ccccc1NC[C@H]1C[C@@]12CCOC2 ZINC000902104288 621137324 /nfs/dbraw/zinc/13/73/24/621137324.db2.gz AJSJCGXNECKLDM-CZUORRHYSA-N 0 0 260.381 3.345 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)c1ccc(F)cc1[O-] ZINC000903332976 621707574 /nfs/dbraw/zinc/70/75/74/621707574.db2.gz WRHGBNWULQXQSG-ZWNOBZJWSA-N 0 0 269.360 3.386 20 10 CGCDRN CC(C)Cc1ccccc1C(=O)NCc1ccc(O)cc1O ZINC000910947913 622511544 /nfs/dbraw/zinc/51/15/44/622511544.db2.gz RMYPCBXEWAHAHI-UHFFFAOYSA-N 0 0 299.370 3.226 20 10 CGCDRN COc1ccc(C)nc1NCc1ccc(N(C)C)c(F)c1 ZINC000150989369 622712332 /nfs/dbraw/zinc/71/23/32/622712332.db2.gz IOZVHCUNZQYBSB-UHFFFAOYSA-N 0 0 289.354 3.216 20 10 CGCDRN Cc1cc(C)c(CC(=O)NCc2cc(C)ccc2O)s1 ZINC000913000870 622721763 /nfs/dbraw/zinc/72/17/63/622721763.db2.gz YHWCPTLSJBQRCZ-UHFFFAOYSA-N 0 0 289.400 3.238 20 10 CGCDRN C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1F ZINC000816564988 625595529 /nfs/dbraw/zinc/59/55/29/625595529.db2.gz XMLQHTKSZGEGQT-QPUJVOFHSA-N 0 0 275.726 3.365 20 10 CGCDRN C[C@H]1COCCN1c1ccc(NCc2ccccc2O)cc1 ZINC000151279258 622758710 /nfs/dbraw/zinc/75/87/10/622758710.db2.gz BNOCGUSCTJAYRY-AWEZNQCLSA-N 0 0 298.386 3.229 20 10 CGCDRN COc1ccc(NCc2cc(F)ccc2O)c(C)c1 ZINC000226581241 622983484 /nfs/dbraw/zinc/98/34/84/622983484.db2.gz MCGLTSJJZUABEF-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CC(=O)Nc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000226580968 622983754 /nfs/dbraw/zinc/98/37/54/622983754.db2.gz WRRNQLSRMDYXCS-UHFFFAOYSA-N 0 0 274.295 3.102 20 10 CGCDRN CC(=O)Nc1cccc(NCc2cccc(C)c2O)c1 ZINC000158039983 622995946 /nfs/dbraw/zinc/99/59/46/622995946.db2.gz SFSFRFHYXAKIRO-UHFFFAOYSA-N 0 0 270.332 3.271 20 10 CGCDRN CN(C[C@@H]1CCC2(CCCC2)O1)c1ccc(N)cc1 ZINC000229334473 623124973 /nfs/dbraw/zinc/12/49/73/623124973.db2.gz WBFBSEIEMJYYNZ-HNNXBMFYSA-N 0 0 260.381 3.197 20 10 CGCDRN Cc1nc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cs1 ZINC000062748077 623268126 /nfs/dbraw/zinc/26/81/26/623268126.db2.gz KNEWUXVBVBRILJ-MRVPVSSYSA-N 0 0 266.341 3.147 20 10 CGCDRN CCC(CC)(CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000174511324 623399323 /nfs/dbraw/zinc/39/93/23/623399323.db2.gz YRWGULQAFJTKIP-UHFFFAOYSA-N 0 0 266.341 3.359 20 10 CGCDRN CC1(CC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000760455365 623630549 /nfs/dbraw/zinc/63/05/49/623630549.db2.gz PVSODVVTSXQHJU-UHFFFAOYSA-N 0 0 273.376 3.077 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921548149 625668641 /nfs/dbraw/zinc/66/86/41/625668641.db2.gz XMZITJJWYUWMIF-UHFFFAOYSA-N 0 0 268.360 3.005 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CC1 ZINC000914725372 623852074 /nfs/dbraw/zinc/85/20/74/623852074.db2.gz LNAMXEWWMRXLCR-UHFFFAOYSA-N 0 0 274.408 3.290 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)SC)cc1 ZINC000915279850 623939234 /nfs/dbraw/zinc/93/92/34/623939234.db2.gz OBIPPVLVFUPBFM-ZDUSSCGKSA-N 0 0 294.464 3.243 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(N(C)C)cc1)N2 ZINC000153730808 624030176 /nfs/dbraw/zinc/03/01/76/624030176.db2.gz VJKZQQXIOXFGGP-QGZVFWFLSA-N 0 0 295.386 3.257 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C2(C3CC3)CC2)cc1 ZINC000888283699 624042954 /nfs/dbraw/zinc/04/29/54/624042954.db2.gz XZHCUQPPWFCHDO-UHFFFAOYSA-N 0 0 286.419 3.339 20 10 CGCDRN CSCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000917932720 624319525 /nfs/dbraw/zinc/31/95/25/624319525.db2.gz XDKBXUFFOKJTIY-UHFFFAOYSA-N 0 0 294.445 3.248 20 10 CGCDRN O=[N+]([O-])c1ccccc1CSc1nccs1 ZINC000064660152 624639755 /nfs/dbraw/zinc/63/97/55/624639755.db2.gz DUMPOHBFCYWCRA-UHFFFAOYSA-N 0 0 252.320 3.344 20 10 CGCDRN Cc1cccc(C(C)(C)CNC(=O)Cc2ccc(N)cc2)c1 ZINC000237613730 624662553 /nfs/dbraw/zinc/66/25/53/624662553.db2.gz HHYCZLKUGNCGFX-UHFFFAOYSA-N 0 0 296.414 3.214 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C#N)cs2)cc1F ZINC000180773756 624771528 /nfs/dbraw/zinc/77/15/28/624771528.db2.gz QTVDQKWCKLMTOE-UHFFFAOYSA-N 0 0 276.336 3.404 20 10 CGCDRN CCC[C@@H](NC(=O)Nc1ccc(N)cc1)C1CCC1 ZINC000324902066 624938620 /nfs/dbraw/zinc/93/86/20/624938620.db2.gz OFIBBZRYMFUNHJ-CQSZACIVSA-N 0 0 261.369 3.359 20 10 CGCDRN CC[C@H]1CCCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000182488514 625006507 /nfs/dbraw/zinc/00/65/07/625006507.db2.gz NTRVDFALVTWHIW-LBPRGKRZSA-N 0 0 277.364 3.201 20 10 CGCDRN C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1ccccc1O ZINC000183672842 625103912 /nfs/dbraw/zinc/10/39/12/625103912.db2.gz AJMFWPXIJXSYSJ-CYBMUJFWSA-N 0 0 294.358 3.205 20 10 CGCDRN Cc1n[nH]cc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000184748569 625268960 /nfs/dbraw/zinc/26/89/60/625268960.db2.gz YJCVMYDLXMBGFL-UHFFFAOYSA-N 0 0 293.317 3.272 20 10 CGCDRN OCCc1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000124628022 634471067 /nfs/dbraw/zinc/47/10/67/634471067.db2.gz SKHJOKQSCZGQEA-UHFFFAOYSA-N 0 0 277.751 3.193 20 10 CGCDRN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873751519 634476619 /nfs/dbraw/zinc/47/66/19/634476619.db2.gz KZTKSKZUYHURDJ-GWCFXTLKSA-N 0 0 288.351 3.158 20 10 CGCDRN COc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124664480 634477917 /nfs/dbraw/zinc/47/79/17/634477917.db2.gz NRRYZYATKIZUQM-UHFFFAOYSA-N 0 0 277.751 3.344 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccccc1F ZINC000124660268 634478071 /nfs/dbraw/zinc/47/80/71/634478071.db2.gz QUSKHNCQNJFRDB-UHFFFAOYSA-N 0 0 265.715 3.475 20 10 CGCDRN COc1ccc(N(C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1OC ZINC000929346936 626117881 /nfs/dbraw/zinc/11/78/81/626117881.db2.gz DWVBXENGSAFIIN-LMKPVCQUSA-N 0 0 297.345 3.431 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)nc2C)cc1F ZINC000187157766 626150538 /nfs/dbraw/zinc/15/05/38/626150538.db2.gz BGDYCKBIAZKZSL-UHFFFAOYSA-N 0 0 274.339 3.483 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C12CCC2 ZINC000840807629 626179070 /nfs/dbraw/zinc/17/90/70/626179070.db2.gz WUDKQEDKXZHLDP-QCZZGDTMSA-N 0 0 297.345 3.279 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000838560630 626237126 /nfs/dbraw/zinc/23/71/26/626237126.db2.gz YNHLKMUXHQAKOC-VBNZEHGJSA-N 0 0 289.423 3.157 20 10 CGCDRN Cc1ccc(CN(C)Cc2ccccc2O)c(Cl)n1 ZINC000838896477 626281452 /nfs/dbraw/zinc/28/14/52/626281452.db2.gz VSDYGFNXNXOCMC-UHFFFAOYSA-N 0 0 276.767 3.381 20 10 CGCDRN Cc1[nH]nc(NCc2c(O)cccc2Br)c1C ZINC000886197835 626357837 /nfs/dbraw/zinc/35/78/37/626357837.db2.gz NQPVWTMWLIWPJB-UHFFFAOYSA-N 0 0 296.168 3.107 20 10 CGCDRN CC[C@@H]([NH2+]CC1(O)CCCC1)c1cccc(Cl)c1[O-] ZINC000806139793 626367764 /nfs/dbraw/zinc/36/77/64/626367764.db2.gz SBUGHZKPKUBUOM-CYBMUJFWSA-N 0 0 283.799 3.391 20 10 CGCDRN Cc1cc(C(=O)NCC(F)F)c(C)n1-c1ccccc1C ZINC000752427911 626428019 /nfs/dbraw/zinc/42/80/19/626428019.db2.gz PGYINDVIFGDNBY-UHFFFAOYSA-N 0 0 292.329 3.397 20 10 CGCDRN COC(=O)COc1ccc(N(C)C[C@H]2CC=CCC2)cc1 ZINC000753590973 626457301 /nfs/dbraw/zinc/45/73/01/626457301.db2.gz IEVBRDZXDTWNKU-AWEZNQCLSA-N 0 0 289.375 3.031 20 10 CGCDRN CC(C)(C)OC1CC([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000753595653 626457697 /nfs/dbraw/zinc/45/76/97/626457697.db2.gz PCKYCCYDJODTCA-UHFFFAOYSA-N 0 0 283.799 3.481 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N2CCc3cccc(C)c32)cn1 ZINC000754136132 626560012 /nfs/dbraw/zinc/56/00/12/626560012.db2.gz JEBUJOIOULQEBR-CMDGGOBGSA-N 0 0 278.355 3.301 20 10 CGCDRN C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756417084 626704012 /nfs/dbraw/zinc/70/40/12/626704012.db2.gz OUYDEUSTARBRPM-GFCCVEGCSA-N 0 0 298.377 3.053 20 10 CGCDRN C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(F)cc1[O-] ZINC000756483875 626708967 /nfs/dbraw/zinc/70/89/67/626708967.db2.gz YKRDLGTVVJHQEM-LBPRGKRZSA-N 0 0 299.349 3.232 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(F)cc(F)c1[O-] ZINC000756516900 626711118 /nfs/dbraw/zinc/71/11/18/626711118.db2.gz UFFYTUCAMROJSC-SECBINFHSA-N 0 0 279.286 3.227 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756531839 626712712 /nfs/dbraw/zinc/71/27/12/626712712.db2.gz BFKXBFPGBMVJJM-BMIGLBTASA-N 0 0 299.361 3.262 20 10 CGCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756628922 626722100 /nfs/dbraw/zinc/72/21/00/626722100.db2.gz YTOAZRHMQTZTES-JBLDHEPKSA-N 0 0 287.350 3.118 20 10 CGCDRN CN(CCc1ccc2c(c1)CCO2)c1ccc2c(c1)OCO2 ZINC000756654665 626724595 /nfs/dbraw/zinc/72/45/95/626724595.db2.gz XAWFMIURDOWQAV-UHFFFAOYSA-N 0 0 297.354 3.029 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756651811 626724657 /nfs/dbraw/zinc/72/46/57/626724657.db2.gz YKVXOQJPSIHTDE-JMSVASOKSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(F)cc(F)c1[O-] ZINC000756656455 626725194 /nfs/dbraw/zinc/72/51/94/626725194.db2.gz XXVRAJPVSRLFHJ-NDMCHQMPSA-N 0 0 297.345 3.279 20 10 CGCDRN Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756735766 626728764 /nfs/dbraw/zinc/72/87/64/626728764.db2.gz HUVRGAXQRAWJNT-GXFFZTMASA-N 0 0 295.379 3.285 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000756769802 626730887 /nfs/dbraw/zinc/73/08/87/626730887.db2.gz NRUZVUWJIBRUNM-GHMZBOCLSA-N 0 0 277.364 3.018 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000756817538 626734439 /nfs/dbraw/zinc/73/44/39/626734439.db2.gz KNIDTAQTPZVZOP-GHMZBOCLSA-N 0 0 277.364 3.018 20 10 CGCDRN COc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)nc1 ZINC000756845891 626737459 /nfs/dbraw/zinc/73/74/59/626737459.db2.gz UVILLZGFDJUQGZ-MRVPVSSYSA-N 0 0 280.274 3.247 20 10 CGCDRN CCn1cc(N[C@@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756855043 626737818 /nfs/dbraw/zinc/73/78/18/626737818.db2.gz KNZJOQVZFIMRPH-QMMMGPOBSA-N 0 0 267.279 3.060 20 10 CGCDRN C/C(=C\c1ccccc1)CN(C)C(=O)c1cccc(O)c1O ZINC000757642293 626797037 /nfs/dbraw/zinc/79/70/37/626797037.db2.gz AQSVLMRCCJABCX-ACCUITESSA-N 0 0 297.354 3.273 20 10 CGCDRN COc1ccc(N(C)CCOc2ccccc2)cc1F ZINC000757851203 626810272 /nfs/dbraw/zinc/81/02/72/626810272.db2.gz DYPZOPAVFUZCCC-UHFFFAOYSA-N 0 0 275.323 3.350 20 10 CGCDRN COc1ccc(N(C)CCc2scnc2C)cc1F ZINC000757851770 626810416 /nfs/dbraw/zinc/81/04/16/626810416.db2.gz QPQCPTRXUIWDOQ-UHFFFAOYSA-N 0 0 280.368 3.278 20 10 CGCDRN CC1(C)CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000758315335 626837299 /nfs/dbraw/zinc/83/72/99/626837299.db2.gz VKESSORLLLMWTA-NSHDSACASA-N 0 0 253.367 3.152 20 10 CGCDRN CC(C)[C@H]1N(C(=O)C2=CC(=O)CS2)CC12CCCC2 ZINC000839790963 626856327 /nfs/dbraw/zinc/85/63/27/626856327.db2.gz DEMNQFPOTQBMSZ-CYBMUJFWSA-N 0 0 279.405 3.495 20 10 CGCDRN C[C@H]1CC[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000759170361 626877583 /nfs/dbraw/zinc/87/75/83/626877583.db2.gz IEAHNMATWLUSCA-STQMWFEESA-N 0 0 292.398 3.334 20 10 CGCDRN CCC(C)(C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000760016203 626936336 /nfs/dbraw/zinc/93/63/36/626936336.db2.gz IPTNQCYBELAMJK-LLVKDONJSA-N 0 0 279.380 3.266 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(C)CC2)cc1 ZINC000760318373 626958611 /nfs/dbraw/zinc/95/86/11/626958611.db2.gz DKCFJLFVXHHCSN-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccco1 ZINC000761750786 627059276 /nfs/dbraw/zinc/05/92/76/627059276.db2.gz UJGLOXSJFDXTBA-MDZDMXLPSA-N 0 0 285.343 3.437 20 10 CGCDRN Cc1cncc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000762791709 627124192 /nfs/dbraw/zinc/12/41/92/627124192.db2.gz VIZQFUUOXNNGLA-UHFFFAOYSA-N 0 0 282.391 3.020 20 10 CGCDRN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)C1=CC(=O)CS1 ZINC000839797096 627202836 /nfs/dbraw/zinc/20/28/36/627202836.db2.gz KHCFOABVQKSXQZ-JTQLQIEISA-N 0 0 293.363 3.296 20 10 CGCDRN Cc1cccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000765618816 627263289 /nfs/dbraw/zinc/26/32/89/627263289.db2.gz HCTXNEROVZQMFY-LBPRGKRZSA-N 0 0 286.331 3.460 20 10 CGCDRN Cc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1O ZINC000765657065 627265895 /nfs/dbraw/zinc/26/58/95/627265895.db2.gz UOYAXIKCHTUNLG-UHFFFAOYSA-N 0 0 298.386 3.166 20 10 CGCDRN C[C@@H]([NH2+]CCOCC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000765808311 627272198 /nfs/dbraw/zinc/27/21/98/627272198.db2.gz JDBPGDRRHWKHBM-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cn1ncc(Cl)c1C ZINC000766341795 627322461 /nfs/dbraw/zinc/32/24/61/627322461.db2.gz QZMMNWQJVJXJLZ-UHFFFAOYSA-N 0 0 291.782 3.264 20 10 CGCDRN C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC000125081223 634570029 /nfs/dbraw/zinc/57/00/29/634570029.db2.gz PRUNWSXGBKTPAV-TXEJJXNPSA-N 0 0 293.407 3.005 20 10 CGCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1CCCOC1 ZINC000768542275 627485221 /nfs/dbraw/zinc/48/52/21/627485221.db2.gz ROILJHIYZTVPBN-GFCCVEGCSA-N 0 0 297.345 3.467 20 10 CGCDRN CN(Cc1occc1Br)Cc1ccccc1O ZINC000768873706 627505382 /nfs/dbraw/zinc/50/53/82/627505382.db2.gz UVWMCXOCRIJULW-UHFFFAOYSA-N 0 0 296.164 3.380 20 10 CGCDRN CCCN(Cc1ccc(N(C)C)c(F)c1)CC(F)F ZINC000769221836 627531832 /nfs/dbraw/zinc/53/18/32/627531832.db2.gz DXXXTVUBPMMYLX-UHFFFAOYSA-N 0 0 274.330 3.369 20 10 CGCDRN C[C@H]1C[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769448373 627553815 /nfs/dbraw/zinc/55/38/15/627553815.db2.gz MMYOPCRWBAZXKW-IUCAKERBSA-N 0 0 284.743 3.042 20 10 CGCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2ccccc2)cc1 ZINC000769502847 627560439 /nfs/dbraw/zinc/56/04/39/627560439.db2.gz BOEDARRCSRVDST-IBGZPJMESA-N 0 0 296.414 3.326 20 10 CGCDRN COc1cccc(O)c1CN(CC(F)F)CC1CCC1 ZINC000770293584 627612092 /nfs/dbraw/zinc/61/20/92/627612092.db2.gz MENDMRGOAWTSCR-UHFFFAOYSA-N 0 0 285.334 3.268 20 10 CGCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C\c1cncc(O)c1 ZINC000770470754 627620533 /nfs/dbraw/zinc/62/05/33/627620533.db2.gz ZOQRPFRWTGDISP-ALCCZGGFSA-N 0 0 294.354 3.088 20 10 CGCDRN C[C@H]1c2c(F)cccc2CCN1C(=O)C1=CC(=O)CS1 ZINC000771067095 627680779 /nfs/dbraw/zinc/68/07/79/627680779.db2.gz QZBWKCGAQJUPLA-VIFPVBQESA-N 0 0 291.347 3.352 20 10 CGCDRN CCCN(C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000772367781 627787391 /nfs/dbraw/zinc/78/73/91/627787391.db2.gz MANCHTBBNKHVQQ-UHFFFAOYSA-N 0 0 277.412 3.036 20 10 CGCDRN COc1ccc(NCc2c(O)cccc2Cl)c(C)n1 ZINC000772946538 627833763 /nfs/dbraw/zinc/83/37/63/627833763.db2.gz PCTZYYHIDBLDPQ-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN C[C@H](NC(=O)Cc1ccsc1)c1ccc(N(C)C)cc1 ZINC000773009660 627841431 /nfs/dbraw/zinc/84/14/31/627841431.db2.gz PSORFJSBNGIOHE-LBPRGKRZSA-N 0 0 288.416 3.234 20 10 CGCDRN C[C@@H](NC(=O)C[C@H](C)n1cccc1)c1ccc(N(C)C)cc1 ZINC000773015419 627842474 /nfs/dbraw/zinc/84/24/74/627842474.db2.gz OFHFELTVFRKDRT-LSDHHAIUSA-N 0 0 299.418 3.383 20 10 CGCDRN CS[C@@H](C)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018457 627843202 /nfs/dbraw/zinc/84/32/02/627843202.db2.gz LWYDFYVTWCQMPZ-STQMWFEESA-N 0 0 294.464 3.462 20 10 CGCDRN C[C@H](NC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773110403 627857704 /nfs/dbraw/zinc/85/77/04/627857704.db2.gz CUDOOQKXWKNQIN-AWEZNQCLSA-N 0 0 297.402 3.313 20 10 CGCDRN Cc1cc(C(=O)NN2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000773407429 627881208 /nfs/dbraw/zinc/88/12/08/627881208.db2.gz GRXWHENWQRFQFJ-UHFFFAOYSA-N 0 0 297.402 3.143 20 10 CGCDRN CCN(C)c1ccc(C[NH2+][C@H](C)c2cccnc2)cc1 ZINC000773816837 627917193 /nfs/dbraw/zinc/91/71/93/627917193.db2.gz GMWZTUJCUQVXSE-CQSZACIVSA-N 0 0 269.392 3.389 20 10 CGCDRN Cc1ccc(F)c(CN(C)C(=O)C2=CC(=O)CS2)c1 ZINC000774232935 627966474 /nfs/dbraw/zinc/96/64/74/627966474.db2.gz LSEUAESSZVQANG-UHFFFAOYSA-N 0 0 279.336 3.173 20 10 CGCDRN CC[C@H](C)NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774258116 627969774 /nfs/dbraw/zinc/96/97/74/627969774.db2.gz SLZCFURPQSJFFK-RYUDHWBXSA-N 0 0 279.453 3.076 20 10 CGCDRN COc1ccc(O)c([C@H](C)NCc2ncc(C(C)C)o2)c1 ZINC000775375667 628086747 /nfs/dbraw/zinc/08/67/47/628086747.db2.gz OQOBPOSYCGKWRW-NSHDSACASA-N 0 0 290.363 3.363 20 10 CGCDRN CC[C@@H](NCc1nnc(C)s1)c1cc(Cl)ccc1O ZINC000775546626 628105941 /nfs/dbraw/zinc/10/59/41/628105941.db2.gz KJZYFFKWXKYYPA-LLVKDONJSA-N 0 0 297.811 3.446 20 10 CGCDRN C[C@@H](NCc1noc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000775835054 628141113 /nfs/dbraw/zinc/14/11/13/628141113.db2.gz DOIUPJUPIFJDKC-CYBMUJFWSA-N 0 0 299.418 3.470 20 10 CGCDRN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776175046 628175909 /nfs/dbraw/zinc/17/59/09/628175909.db2.gz TXNIRSHEEHCNRJ-OTYXRUKQSA-N 0 0 289.778 3.071 20 10 CGCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccncc1 ZINC000776222038 628182262 /nfs/dbraw/zinc/18/22/62/628182262.db2.gz CWMYFUKIAPEWAC-NSHDSACASA-N 0 0 276.767 3.334 20 10 CGCDRN C[C@@H](NC(=O)N(C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000776237681 628183842 /nfs/dbraw/zinc/18/38/42/628183842.db2.gz HXEHVGZTJHRWBN-CYBMUJFWSA-N 0 0 289.423 3.398 20 10 CGCDRN C[C@@H](NC(=O)N(C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000776238224 628183897 /nfs/dbraw/zinc/18/38/97/628183897.db2.gz MEGVTTBLRBMQCM-GFCCVEGCSA-N 0 0 275.396 3.008 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCC2CCC2)c1[O-] ZINC000776251595 628184347 /nfs/dbraw/zinc/18/43/47/628184347.db2.gz NHXCDIQQKCKEHJ-UHFFFAOYSA-N 0 0 284.743 3.234 20 10 CGCDRN CC(C)[C@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000776332402 628194831 /nfs/dbraw/zinc/19/48/31/628194831.db2.gz DKCVIBFDZUIYQS-HNNXBMFYSA-N 0 0 299.370 3.267 20 10 CGCDRN COc1cccc(CN2C[C@@H](C)Oc3cc(C)ccc32)c1O ZINC000776525074 628217067 /nfs/dbraw/zinc/21/70/67/628217067.db2.gz UTTCIFRWSVQVOF-CYBMUJFWSA-N 0 0 299.370 3.497 20 10 CGCDRN COc1cccc(CN2C[C@H](C)Oc3cc(C)ccc32)c1O ZINC000776525078 628217240 /nfs/dbraw/zinc/21/72/40/628217240.db2.gz UTTCIFRWSVQVOF-ZDUSSCGKSA-N 0 0 299.370 3.497 20 10 CGCDRN CSc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])ccn1 ZINC000777505356 628276853 /nfs/dbraw/zinc/27/68/53/628276853.db2.gz BAEXWGXLGMIAEW-UHFFFAOYSA-N 0 0 294.807 3.452 20 10 CGCDRN CCN(CC(=O)c1cc(C)[nH]c1C)c1ccc(OC)cc1 ZINC000777606498 628288574 /nfs/dbraw/zinc/28/85/74/628288574.db2.gz CZHBPYDJCOVLDM-UHFFFAOYSA-N 0 0 286.375 3.349 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c(c2)COC3)cc1OC ZINC000778211010 628334016 /nfs/dbraw/zinc/33/40/16/628334016.db2.gz FGBMEDZEACXPCM-UHFFFAOYSA-N 0 0 299.370 3.370 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cncc(F)c1 ZINC000779165238 628392335 /nfs/dbraw/zinc/39/23/35/628392335.db2.gz FDWWYFBTBRNUHH-UHFFFAOYSA-N 0 0 272.323 3.182 20 10 CGCDRN CC(C)C1(C)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000779449697 628413803 /nfs/dbraw/zinc/41/38/03/628413803.db2.gz BNRJJOIZCGJKFO-UHFFFAOYSA-N 0 0 267.394 3.352 20 10 CGCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000780482753 628492415 /nfs/dbraw/zinc/49/24/15/628492415.db2.gz KGZGYMFUQRDPBV-HOCLYGCPSA-N 0 0 299.418 3.051 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCO[C@H](C)C1 ZINC000780767674 628515793 /nfs/dbraw/zinc/51/57/93/628515793.db2.gz UQRUSLVVLHOXSK-ZIAGYGMSSA-N 0 0 275.392 3.263 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cncs1 ZINC000780766859 628515916 /nfs/dbraw/zinc/51/59/16/628515916.db2.gz NSPZKURRMQRXSQ-UHFFFAOYSA-N 0 0 260.362 3.105 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc3c2ccn3C)c(O)c1O ZINC000780923540 628524719 /nfs/dbraw/zinc/52/47/19/628524719.db2.gz UDLCHRXGBPKNKZ-UHFFFAOYSA-N 0 0 296.326 3.150 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CC[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000781616809 628579786 /nfs/dbraw/zinc/57/97/86/628579786.db2.gz QYHVNJDSFKLVAA-DOMZBBRYSA-N 0 0 297.402 3.408 20 10 CGCDRN CCCCC[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874985338 634667894 /nfs/dbraw/zinc/66/78/94/634667894.db2.gz QGHWIJYYXWXDMF-GFCCVEGCSA-N 0 0 276.380 3.386 20 10 CGCDRN COC(=O)[C@H](CC(C)(C)C)NCc1ccc(OC)c(C)c1 ZINC000782227924 628627691 /nfs/dbraw/zinc/62/76/91/628627691.db2.gz BUJICFFLCYENSQ-AWEZNQCLSA-N 0 0 293.407 3.071 20 10 CGCDRN COC(=O)[C@H](Cc1ccc(F)cc1)Sc1nccs1 ZINC000783895902 628756009 /nfs/dbraw/zinc/75/60/09/628756009.db2.gz UTDBKTLBNWRILH-NSHDSACASA-N 0 0 297.376 3.159 20 10 CGCDRN Cc1cccc2c1CCN2C(=O)/C=C\c1cnccc1C ZINC000783940987 628758488 /nfs/dbraw/zinc/75/84/88/628758488.db2.gz ILTACQLQRBJPOE-SREVYHEPSA-N 0 0 278.355 3.301 20 10 CGCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000783963382 628760934 /nfs/dbraw/zinc/76/09/34/628760934.db2.gz GCUHRBIJJOZUPR-QMMMGPOBSA-N 0 0 281.299 3.161 20 10 CGCDRN COc1cccc(CNc2nc3c(cccc3F)o2)c1O ZINC000784153645 628788099 /nfs/dbraw/zinc/78/80/99/628788099.db2.gz WDIDXFSYWSILQM-UHFFFAOYSA-N 0 0 288.278 3.293 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C23CCC(CC2)C3)c1[O-] ZINC000784643989 628827345 /nfs/dbraw/zinc/82/73/45/628827345.db2.gz QNOSOJAOYVIPBP-UHFFFAOYSA-N 0 0 296.754 3.376 20 10 CGCDRN COc1ccc(N(C)Cc2cccnc2OC)cc1Cl ZINC000785713262 628881893 /nfs/dbraw/zinc/88/18/93/628881893.db2.gz YPENQWAWCBEPIE-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCCO2)cc1 ZINC000785857565 628891865 /nfs/dbraw/zinc/89/18/65/628891865.db2.gz KVQFRFIOXMCKMM-UHFFFAOYSA-N 0 0 284.359 3.262 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC(F)(F)C1 ZINC000787726675 629025450 /nfs/dbraw/zinc/02/54/50/629025450.db2.gz BIIRKWRITFGGNY-LBPRGKRZSA-N 0 0 296.361 3.387 20 10 CGCDRN CC(C)[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788662897 629070926 /nfs/dbraw/zinc/07/09/26/629070926.db2.gz DZWGOENGLBYNND-BXKDBHETSA-N 0 0 291.313 3.079 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cc(C)ns1 ZINC000788843816 629085690 /nfs/dbraw/zinc/08/56/90/629085690.db2.gz QZIJLUFETOYMFP-UHFFFAOYSA-N 0 0 260.362 3.023 20 10 CGCDRN CC(C)C(CNC(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000875522944 634706626 /nfs/dbraw/zinc/70/66/26/634706626.db2.gz GWSRGGQVWQCMCS-UHFFFAOYSA-N 0 0 290.407 3.346 20 10 CGCDRN CCOC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000788984321 629093772 /nfs/dbraw/zinc/09/37/72/629093772.db2.gz KOVWYBYLBPXLCK-HZMBPMFUSA-N 0 0 287.350 3.382 20 10 CGCDRN Cc1ccc(-n2cccn2)cc1NC(=O)C1=CC(=O)CS1 ZINC000789918820 629174117 /nfs/dbraw/zinc/17/41/17/629174117.db2.gz HGRYUFMDENCYFW-UHFFFAOYSA-N 0 0 299.355 3.200 20 10 CGCDRN CCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000790642977 629222434 /nfs/dbraw/zinc/22/24/34/629222434.db2.gz KKHPVAJRJLPNTQ-AWEZNQCLSA-N 0 0 299.370 3.239 20 10 CGCDRN CC(C)C1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000790895828 629240285 /nfs/dbraw/zinc/24/02/85/629240285.db2.gz MSPIDWUZGMZCTP-UHFFFAOYSA-N 0 0 277.364 3.042 20 10 CGCDRN CC(C)CCOCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790963001 629243368 /nfs/dbraw/zinc/24/33/68/629243368.db2.gz WMCVPNDAMMIYRI-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN C[C@H]1CCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790960543 629243790 /nfs/dbraw/zinc/24/37/90/629243790.db2.gz VTCGYQBQFROASU-GZMMTYOYSA-N 0 0 257.736 3.463 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC000790972027 629244775 /nfs/dbraw/zinc/24/47/75/629244775.db2.gz BQIKKOJADRSJRZ-VXGBXAGGSA-N 0 0 287.762 3.088 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(F)n1 ZINC000790983159 629246534 /nfs/dbraw/zinc/24/65/34/629246534.db2.gz NQVXESDJGQNLCQ-UHFFFAOYSA-N 0 0 284.693 3.009 20 10 CGCDRN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790988878 629246748 /nfs/dbraw/zinc/24/67/48/629246748.db2.gz FQRRWMPBVTVIRT-NOZJJQNGSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792156424 629341504 /nfs/dbraw/zinc/34/15/04/629341504.db2.gz DPKNQGNCANXXOP-VIFPVBQESA-N 0 0 257.736 3.417 20 10 CGCDRN COc1ccc(N(C)C[C@@]2(C)CCCS2)cc1OC ZINC000862324335 629344246 /nfs/dbraw/zinc/34/42/46/629344246.db2.gz JUPYNPMKDWTVMN-OAHLLOKOSA-N 0 0 281.421 3.426 20 10 CGCDRN Cc1cc(CC(=O)N(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000792546540 629364964 /nfs/dbraw/zinc/36/49/64/629364964.db2.gz AWLMCQFUTQZTHD-UHFFFAOYSA-N 0 0 290.794 3.378 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN1Cc2ccc(O)cc2C1 ZINC000862451200 629380773 /nfs/dbraw/zinc/38/07/73/629380773.db2.gz KAHJZTGLGLUKFG-UHFFFAOYSA-N 0 0 282.387 3.282 20 10 CGCDRN Cc1cc(Cl)cc(CNc2cnn(CCF)c2)c1O ZINC000862483341 629385980 /nfs/dbraw/zinc/38/59/80/629385980.db2.gz KORNDBANTAOCBK-UHFFFAOYSA-N 0 0 283.734 3.132 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)CCC(F)F)cc1 ZINC000793107552 629411509 /nfs/dbraw/zinc/41/15/09/629411509.db2.gz JADKXRAFVPCFST-UHFFFAOYSA-N 0 0 284.350 3.194 20 10 CGCDRN Cc1cc(C(F)F)oc1C(=O)NCc1cc(C)ccc1O ZINC000862753153 629428641 /nfs/dbraw/zinc/42/86/41/629428641.db2.gz CAUJKJAJFZTVSV-UHFFFAOYSA-N 0 0 295.285 3.470 20 10 CGCDRN CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793217684 629429604 /nfs/dbraw/zinc/42/96/04/629429604.db2.gz MZWKJFNEECAOEG-AWEZNQCLSA-N 0 0 287.762 3.186 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@@H]2C)c1 ZINC000862755479 629429850 /nfs/dbraw/zinc/42/98/50/629429850.db2.gz TTYFXRWJJSYPSK-JSGCOSHPSA-N 0 0 261.365 3.143 20 10 CGCDRN CCc1cccc(CC(=O)NCc2cc(C)ccc2O)c1 ZINC000862758058 629430581 /nfs/dbraw/zinc/43/05/81/629430581.db2.gz NHTPJTZARLQCLM-UHFFFAOYSA-N 0 0 283.371 3.122 20 10 CGCDRN CCC(CC)[C@@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862757856 629430956 /nfs/dbraw/zinc/43/09/56/629430956.db2.gz GSQKHCJIFWGOOP-GFCCVEGCSA-N 0 0 263.381 3.389 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCc2cccs2)c1 ZINC000862761048 629431603 /nfs/dbraw/zinc/43/16/03/629431603.db2.gz BNBCSDWPXCBPSC-UHFFFAOYSA-N 0 0 275.373 3.011 20 10 CGCDRN Cc1ccc(OCC(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC000862761164 629431711 /nfs/dbraw/zinc/43/17/11/629431711.db2.gz HFUOADOGOJOTOZ-UHFFFAOYSA-N 0 0 299.370 3.013 20 10 CGCDRN Cc1cccc([C@H](C)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862760308 629431893 /nfs/dbraw/zinc/43/18/93/629431893.db2.gz PSJBCPTUMDPSCX-AWEZNQCLSA-N 0 0 283.371 3.429 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCc2ccsc2)c1 ZINC000862761112 629431912 /nfs/dbraw/zinc/43/19/12/629431912.db2.gz DTIREWSUZIRNDX-UHFFFAOYSA-N 0 0 275.373 3.011 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)F)cc1 ZINC000836242427 634738154 /nfs/dbraw/zinc/73/81/54/634738154.db2.gz NDBOFMYYJOJDIV-ZDUSSCGKSA-N 0 0 295.402 3.080 20 10 CGCDRN Cc1cccc(CNc2ccc3ccn(C)c(=O)c3c2)c1O ZINC000793619530 629491064 /nfs/dbraw/zinc/49/10/64/629491064.db2.gz GRYQUCXWTARMFE-UHFFFAOYSA-N 0 0 294.354 3.165 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863240049 629505834 /nfs/dbraw/zinc/50/58/34/629505834.db2.gz RAHKGHDESUCCOS-AEGPPILISA-N 0 0 299.395 3.329 20 10 CGCDRN COc1ccc(CNC(=O)[C@H](C)CC2CCCC2)c(O)c1 ZINC000794377464 629537704 /nfs/dbraw/zinc/53/77/04/629537704.db2.gz OHIQYVTWSYGQJL-GFCCVEGCSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(CNC(=O)[C@H]2CCCC(C)(C)C2)c(O)c1 ZINC000794387015 629538370 /nfs/dbraw/zinc/53/83/70/629538370.db2.gz CFQKRYUQJYKYHM-LBPRGKRZSA-N 0 0 291.391 3.233 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc3occc3c2)SC1=S ZINC000794682507 629565872 /nfs/dbraw/zinc/56/58/72/629565872.db2.gz WSHWVIAXEBPGDD-YRNVUSSQSA-N 0 0 275.354 3.264 20 10 CGCDRN CNc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000863482362 629587481 /nfs/dbraw/zinc/58/74/81/629587481.db2.gz ZJHWJCBLOXNZGY-UHFFFAOYSA-N 0 0 297.402 3.177 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CCCC34CC4)n2)cc1 ZINC000863656692 629635830 /nfs/dbraw/zinc/63/58/30/629635830.db2.gz USWITECCUMFREW-ZDUSSCGKSA-N 0 0 269.348 3.290 20 10 CGCDRN C[C@@H](Nc1cccc(-n2nccn2)c1)c1ccc(F)cc1O ZINC000864024122 629730564 /nfs/dbraw/zinc/73/05/64/629730564.db2.gz VIJWXDNXPQXWFU-LLVKDONJSA-N 0 0 298.321 3.285 20 10 CGCDRN CC1(C)[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1(F)F ZINC000864052223 629746446 /nfs/dbraw/zinc/74/64/46/629746446.db2.gz FCDGHUDCFBVWTE-VIFPVBQESA-N 0 0 277.261 3.051 20 10 CGCDRN COc1ccc(N(CCC(C)C)Cc2nc(C)no2)cc1 ZINC000796506199 629791296 /nfs/dbraw/zinc/79/12/96/629791296.db2.gz VHCMSQGOYYWCJM-UHFFFAOYSA-N 0 0 289.379 3.439 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)c1ccc(F)cc1[O-] ZINC000796794887 629836266 /nfs/dbraw/zinc/83/62/66/629836266.db2.gz XVZGMDNNPACNQH-NWANDNLSSA-N 0 0 281.371 3.386 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000796871210 629852214 /nfs/dbraw/zinc/85/22/14/629852214.db2.gz DUXYVCPNYFTQSR-ZYHUDNBSSA-N 0 0 295.276 3.149 20 10 CGCDRN CC(C)(C)C1CC(NC(=O)NCc2ccccc2O)C1 ZINC000836480173 634768543 /nfs/dbraw/zinc/76/85/43/634768543.db2.gz RIRCUNXCUJKMSA-UHFFFAOYSA-N 0 0 276.380 3.016 20 10 CGCDRN COCCc1ccnc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000797043794 629876477 /nfs/dbraw/zinc/87/64/77/629876477.db2.gz OIQBJLXBIRRPER-NSHDSACASA-N 0 0 290.338 3.288 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCCCO1 ZINC000797720507 629978669 /nfs/dbraw/zinc/97/86/69/629978669.db2.gz JFTIELQCLPRTBN-OAHLLOKOSA-N 0 0 261.365 3.017 20 10 CGCDRN CCc1ccnc(CNC(=S)Nc2ccc(F)cc2)c1 ZINC000797792479 629983529 /nfs/dbraw/zinc/98/35/29/629983529.db2.gz DCYKWNBLSKEYDB-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN Cc1cc(O)c(CNc2nnc([C@H]3C[C@H]3C)o2)cc1C ZINC000865295128 630057857 /nfs/dbraw/zinc/05/78/57/630057857.db2.gz ZEMXXNYVZTXCTI-PWSUYJOCSA-N 0 0 273.336 3.128 20 10 CGCDRN COc1ccc(O)c(CNc2cc(CC(C)C)ncn2)c1 ZINC000865539607 630176730 /nfs/dbraw/zinc/17/67/30/630176730.db2.gz SXDFJJUSOCQGDF-UHFFFAOYSA-N 0 0 287.363 3.001 20 10 CGCDRN COCc1ccc(Sc2ncc([N+](=O)[O-])s2)cc1 ZINC000799939786 630245453 /nfs/dbraw/zinc/24/54/53/630245453.db2.gz ONTMYAOHTNBZCR-UHFFFAOYSA-N 0 0 282.346 3.349 20 10 CGCDRN CC1(C)CC=C(C(=O)NCc2ccccc2O)CC1 ZINC000836778441 634800929 /nfs/dbraw/zinc/80/09/29/634800929.db2.gz XMHCYYGHBUCTLG-UHFFFAOYSA-N 0 0 259.349 3.145 20 10 CGCDRN COc1ccc(N(C)CCSC(C)C)cc1OC ZINC000801511779 630339779 /nfs/dbraw/zinc/33/97/79/630339779.db2.gz JCUUVVGAKXFDTR-UHFFFAOYSA-N 0 0 269.410 3.282 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2(F)CCC2)c1 ZINC000806174513 630553126 /nfs/dbraw/zinc/55/31/26/630553126.db2.gz XWYNUXZKNQWKNI-LLVKDONJSA-N 0 0 295.354 3.112 20 10 CGCDRN CSc1cccc(F)c1CNC(=O)C1=CC(=O)CS1 ZINC000807666705 630596850 /nfs/dbraw/zinc/59/68/50/630596850.db2.gz NBGDXQKTADVNKC-UHFFFAOYSA-N 0 0 297.376 3.245 20 10 CGCDRN CC(=O)C(=O)CS[C@@H](C)c1ccc(Cl)cc1 ZINC000808021752 630618695 /nfs/dbraw/zinc/61/86/95/630618695.db2.gz CWZIVRADFUGXBK-VIFPVBQESA-N 0 0 256.754 3.292 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1CCCC1 ZINC000808094977 630622138 /nfs/dbraw/zinc/62/21/38/630622138.db2.gz MMVQIKSFGJNELI-UHFFFAOYSA-N 0 0 282.380 3.074 20 10 CGCDRN CN(C)c1ccc(OCCCOC(C)(C)C)cc1 ZINC000810000948 630826055 /nfs/dbraw/zinc/82/60/55/630826055.db2.gz RYXNNCLGRMZHCO-UHFFFAOYSA-N 0 0 251.370 3.337 20 10 CGCDRN COCc1cccc(COc2ccc(N(C)C)cc2)c1 ZINC000810001160 630826208 /nfs/dbraw/zinc/82/62/08/630826208.db2.gz YWUALDTYVSDZCV-UHFFFAOYSA-N 0 0 271.360 3.478 20 10 CGCDRN CCCCC[C@H](C)NC(=O)COc1ccc(N(C)C)cc1 ZINC000810002030 630826452 /nfs/dbraw/zinc/82/64/52/630826452.db2.gz QSJYNGVJZNLARQ-AWEZNQCLSA-N 0 0 292.423 3.216 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)c1ccc(F)cc1[O-] ZINC000810244262 630858064 /nfs/dbraw/zinc/85/80/64/630858064.db2.gz BNCOQLRDHZMPNN-SWLSCSKDSA-N 0 0 282.403 3.301 20 10 CGCDRN COc1ccc(N(C)CC2(SC)CCC2)cc1OC ZINC000811490735 631074382 /nfs/dbraw/zinc/07/43/82/631074382.db2.gz WKCANMRPJIPGPD-UHFFFAOYSA-N 0 0 281.421 3.426 20 10 CGCDRN Oc1ccc(CCNc2ncc(Cl)cc2Cl)cc1O ZINC000811811343 631121601 /nfs/dbraw/zinc/12/16/01/631121601.db2.gz SDVZFDBFGDXVLW-UHFFFAOYSA-N 0 0 299.157 3.454 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCC2CC2)c1 ZINC000812498901 631269790 /nfs/dbraw/zinc/26/97/90/631269790.db2.gz YLBNTFFLEABFHH-LLVKDONJSA-N 0 0 277.364 3.158 20 10 CGCDRN C=Cc1ccc(CCNC(=O)C2=CC(=O)CS2)cc1 ZINC000812594822 631277504 /nfs/dbraw/zinc/27/75/04/631277504.db2.gz SKLHRNOITIXUMY-UHFFFAOYSA-N 0 0 273.357 3.069 20 10 CGCDRN COc1cccc(O)c1CNc1ncc(Cl)cc1C ZINC000812784689 631308494 /nfs/dbraw/zinc/30/84/94/631308494.db2.gz CUOZMCHFHKZGTB-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN Nc1ccc(NC(=O)c2ccc(C3CCOCC3)cc2)cc1 ZINC000876503868 634848386 /nfs/dbraw/zinc/84/83/86/634848386.db2.gz FYRGYGWVSCDUGS-UHFFFAOYSA-N 0 0 296.370 3.415 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NOC[C@@H](C)CC ZINC000813824595 631465163 /nfs/dbraw/zinc/46/51/63/631465163.db2.gz PIOYRUHZGUVOOR-ZDUSSCGKSA-N 0 0 294.395 3.292 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(C)(F)F ZINC000815071487 631711593 /nfs/dbraw/zinc/71/15/93/631711593.db2.gz WPOGNNOVKYVPKH-UHFFFAOYSA-N 0 0 284.350 3.145 20 10 CGCDRN Cc1cc(CN2CCC[C@H]2c2ncc[nH]2)ccc1N(C)C ZINC000815079642 631712518 /nfs/dbraw/zinc/71/25/18/631712518.db2.gz YEINUFFEFGGCGO-INIZCTEOSA-N 0 0 284.407 3.121 20 10 CGCDRN O=C(NCc1ccccc1O)C1CC(c2ccc(F)cc2)C1 ZINC000815833229 631827244 /nfs/dbraw/zinc/82/72/44/631827244.db2.gz CXYYSSZZQVEPPV-UHFFFAOYSA-N 0 0 299.345 3.341 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CCCC1 ZINC000816532756 632006455 /nfs/dbraw/zinc/00/64/55/632006455.db2.gz UISKEAWBVWSGLB-UHFFFAOYSA-N 0 0 257.736 3.465 20 10 CGCDRN CSCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816552238 632009182 /nfs/dbraw/zinc/00/91/82/632009182.db2.gz FVVHZJQEUTZZIE-UHFFFAOYSA-N 0 0 261.390 3.388 20 10 CGCDRN COc1ccc(NCc2cc(Cl)c(F)cc2O)nc1 ZINC000816557254 632011355 /nfs/dbraw/zinc/01/13/55/632011355.db2.gz JJTPHSQHVYQAIR-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN Cn1cnc2cc(NCc3c(F)ccc(O)c3F)ccc21 ZINC000816563778 632012495 /nfs/dbraw/zinc/01/24/95/632012495.db2.gz JUSMCIWCADAFFW-UHFFFAOYSA-N 0 0 289.285 3.169 20 10 CGCDRN CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000816574472 632016124 /nfs/dbraw/zinc/01/61/24/632016124.db2.gz IYHUFQPJDDEGIV-SNVBAGLBSA-N 0 0 287.762 3.232 20 10 CGCDRN CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816610109 632022021 /nfs/dbraw/zinc/02/20/21/632022021.db2.gz YEXGUEHNRZNIJX-GFCCVEGCSA-N 0 0 257.736 3.463 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667779 632041636 /nfs/dbraw/zinc/04/16/36/632041636.db2.gz WKFVDTFILQIWLD-CQSZACIVSA-N 0 0 295.810 3.437 20 10 CGCDRN CC(C)(C)C(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000817220670 632097528 /nfs/dbraw/zinc/09/75/28/632097528.db2.gz MDVOXSDIOYKSTC-CLFYSBASSA-N 0 0 277.364 3.052 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC[C@H]3CC4(CC4)C(=O)O3)cc12 ZINC000817379812 632134860 /nfs/dbraw/zinc/13/48/60/632134860.db2.gz CAPLXIKEVRGMRK-CQSZACIVSA-N 0 0 299.370 3.270 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC[C@@H]3CC4(CC4)C(=O)O3)cc12 ZINC000817379811 632135199 /nfs/dbraw/zinc/13/51/99/632135199.db2.gz CAPLXIKEVRGMRK-AWEZNQCLSA-N 0 0 299.370 3.270 20 10 CGCDRN CC[C@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817944567 632242521 /nfs/dbraw/zinc/24/25/21/632242521.db2.gz HAXOFCJCKMEDGQ-CABZTGNLSA-N 0 0 289.206 3.102 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCCCN1)c1cccc(Cl)c1[O-] ZINC000817950751 632247124 /nfs/dbraw/zinc/24/71/24/632247124.db2.gz YOHOHSJNAUWSER-RISCZKNCSA-N 0 0 282.815 3.228 20 10 CGCDRN CCC[NH2+]CCN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817962021 632257761 /nfs/dbraw/zinc/25/77/61/632257761.db2.gz GOMSFJBMGLBAIR-SECBINFHSA-N 0 0 291.222 3.349 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000818237815 632301112 /nfs/dbraw/zinc/30/11/12/632301112.db2.gz BFWITHBAFDOSCS-AYMMMOKOSA-N 0 0 255.720 3.073 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556535 632334347 /nfs/dbraw/zinc/33/43/47/632334347.db2.gz YULNHROSWDTWGI-STQMWFEESA-N 0 0 272.373 3.381 20 10 CGCDRN CCC(CC)(C[NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000818631746 632343959 /nfs/dbraw/zinc/34/39/59/632343959.db2.gz OYUCIXWNZUCNPZ-UHFFFAOYSA-N 0 0 285.771 3.026 20 10 CGCDRN COc1cc2c(cc1NC[C@H](C)O)oc1ccccc12 ZINC000819400018 632450436 /nfs/dbraw/zinc/45/04/36/632450436.db2.gz ZZCPQUAXSMGPFI-JTQLQIEISA-N 0 0 271.316 3.387 20 10 CGCDRN CCC(F)(F)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000821032643 632715033 /nfs/dbraw/zinc/71/50/33/632715033.db2.gz DUAQAKUZKWEPFR-UHFFFAOYSA-N 0 0 296.361 3.289 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000822227130 632887766 /nfs/dbraw/zinc/88/77/66/632887766.db2.gz WGXXEDXGCKVCOF-HOCLYGCPSA-N 0 0 274.408 3.195 20 10 CGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(CO)cc1 ZINC000822666613 633002813 /nfs/dbraw/zinc/00/28/13/633002813.db2.gz KKKFMEJCLJJHIU-UHFFFAOYSA-N 0 0 296.370 3.031 20 10 CGCDRN CC(C)CCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822863987 633032486 /nfs/dbraw/zinc/03/24/86/633032486.db2.gz VNCGSGPCHNICOZ-UHFFFAOYSA-N 0 0 280.387 3.334 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@]3(C)CC=CCC3)ccc21 ZINC000822867843 633032560 /nfs/dbraw/zinc/03/25/60/633032560.db2.gz NGZQDZAYTLFBMW-LJQANCHMSA-N 0 0 298.430 3.432 20 10 CGCDRN CC1(CCC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000823181770 633070817 /nfs/dbraw/zinc/07/08/17/633070817.db2.gz OYUGMHKUYFMJRN-UHFFFAOYSA-N 0 0 284.359 3.137 20 10 CGCDRN Cc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000866478968 633151712 /nfs/dbraw/zinc/15/17/12/633151712.db2.gz OKBBZJCGUQHDKS-SECBINFHSA-N 0 0 267.275 3.423 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000866512653 633168675 /nfs/dbraw/zinc/16/86/75/633168675.db2.gz NNARIOKURKFHSW-PLQHRBFRSA-N 0 0 293.382 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1ccc(F)cc1[O-] ZINC000866615968 633215814 /nfs/dbraw/zinc/21/58/14/633215814.db2.gz YAHFZOMRMNWTSS-MFKMUULPSA-N 0 0 277.343 3.067 20 10 CGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000824261975 633220001 /nfs/dbraw/zinc/22/00/01/633220001.db2.gz NYTGVFKWEDOKCZ-FVQHAEBGSA-N 0 0 298.430 3.339 20 10 CGCDRN C[C@@]1(F)CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000824472127 633248761 /nfs/dbraw/zinc/24/87/61/633248761.db2.gz MDBIGVLUCYNDLN-CYBMUJFWSA-N 0 0 257.736 3.370 20 10 CGCDRN C[C@H](NC(=O)[C@@H](C)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000867503237 633248785 /nfs/dbraw/zinc/24/87/85/633248785.db2.gz IMDRAHWOIWXZHV-KBPBESRZSA-N 0 0 297.402 3.129 20 10 CGCDRN COc1ccc(CNC(=O)c2sc(C)cc2C)c(O)c1 ZINC000867956651 633281556 /nfs/dbraw/zinc/28/15/56/633281556.db2.gz VTCXGKDDMQKBAM-UHFFFAOYSA-N 0 0 291.372 3.009 20 10 CGCDRN CC[C@](C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000824744094 633282508 /nfs/dbraw/zinc/28/25/08/633282508.db2.gz ZNCCCMKXFZKGSR-CYBMUJFWSA-N 0 0 275.751 3.089 20 10 CGCDRN C[C@H](NC(=O)NCCC1CCCC1)c1ccccc1O ZINC000868031676 633290381 /nfs/dbraw/zinc/29/03/81/633290381.db2.gz HNRSCIVDERIDDO-LBPRGKRZSA-N 0 0 276.380 3.333 20 10 CGCDRN CCc1ccc(N(CC)C(=O)/C=C(\C)c2cnccn2)cc1 ZINC000824820823 633295909 /nfs/dbraw/zinc/29/59/09/633295909.db2.gz OCOLQEABFACXTF-WYMLVPIESA-N 0 0 295.386 3.495 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000868117785 633297207 /nfs/dbraw/zinc/29/72/07/633297207.db2.gz YSCZOVGIWJFEGK-UPJWGTAASA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccccc1O ZINC000868345982 633316529 /nfs/dbraw/zinc/31/65/29/633316529.db2.gz VOOIPKDOMJOIOP-SMDDNHRTSA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@H](NC(=O)NC[C@]1(C)CCCS1)c1ccccc1O ZINC000868396802 633320562 /nfs/dbraw/zinc/32/05/62/633320562.db2.gz OCEKHAABUIIFTG-NHYWBVRUSA-N 0 0 294.420 3.038 20 10 CGCDRN Cc1cc(C)c(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000825221318 633336542 /nfs/dbraw/zinc/33/65/42/633336542.db2.gz IIIOAUWZNGJIDI-UHFFFAOYSA-N 0 0 294.757 3.486 20 10 CGCDRN COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000825294633 633342183 /nfs/dbraw/zinc/34/21/83/633342183.db2.gz URSASZMJLCEXKX-LBPRGKRZSA-N 0 0 287.762 3.186 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868676295 633351072 /nfs/dbraw/zinc/35/10/72/633351072.db2.gz XAFCTGYMESVLLS-DYEKYZERSA-N 0 0 276.380 3.045 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccsc2C)c1 ZINC000825736579 633378354 /nfs/dbraw/zinc/37/83/54/633378354.db2.gz CRILETDPRMVOEU-VIFPVBQESA-N 0 0 291.372 3.262 20 10 CGCDRN CC[C@H](C)[C@@H](C)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000826566071 633414864 /nfs/dbraw/zinc/41/48/64/633414864.db2.gz XVRKEIKTKRSBIM-VHSXEESVSA-N 0 0 267.394 3.493 20 10 CGCDRN CCCCN(C(=O)C1=CC(=O)CS1)[C@H](C)CC ZINC000826882029 633437337 /nfs/dbraw/zinc/43/73/37/633437337.db2.gz HAELZFIHYLEENV-SNVBAGLBSA-N 0 0 255.383 3.495 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000827488447 633494413 /nfs/dbraw/zinc/49/44/13/633494413.db2.gz HHIWTIATDMXIPE-PEGIJTEDSA-N 0 0 255.720 3.073 20 10 CGCDRN Cc1cc(Cl)cc(C[N@H+](C)CC2=CCSC2)c1O ZINC000827805039 633519017 /nfs/dbraw/zinc/51/90/17/633519017.db2.gz FFKCVJLIKAVDMP-UHFFFAOYSA-N 0 0 283.824 3.459 20 10 CGCDRN CN(C)c1ccc(/C=C/C[N@H+](C)CC2=CCSC2)cc1 ZINC000827812341 633520810 /nfs/dbraw/zinc/52/08/10/633520810.db2.gz JUNCBXQESZXDJO-SNAWJCMRSA-N 0 0 288.460 3.371 20 10 CGCDRN CCCCS[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827930463 633535954 /nfs/dbraw/zinc/53/59/54/633535954.db2.gz 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/nfs/dbraw/zinc/53/89/87/633538987.db2.gz HQGDCAZKWDCNQM-JHJVBQTASA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1O ZINC000827959857 633540236 /nfs/dbraw/zinc/54/02/36/633540236.db2.gz GNWVQAOHKHSLDU-CDGCEXEKSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000827960750 633541386 /nfs/dbraw/zinc/54/13/86/633541386.db2.gz WPBKZEYSLGRUFT-XLWVJDPXSA-N 0 0 299.345 3.454 20 10 CGCDRN Cc1ccccc1COCC(=O)N[C@@H](C)c1ccccc1O ZINC000827960754 633541500 /nfs/dbraw/zinc/54/15/00/633541500.db2.gz WSJNRQJQQPNCLO-AWEZNQCLSA-N 0 0 299.370 3.095 20 10 CGCDRN C[C@H](NC(=O)C12CCC(CC1)C2)c1ccccc1O ZINC000827969380 633542637 /nfs/dbraw/zinc/54/26/37/633542637.db2.gz KVKRRVOUDIYVNC-FZWSLVFFSA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@H](NC(=O)C(C1CC1)C1CC1)c1ccccc1O ZINC000827973082 633542777 /nfs/dbraw/zinc/54/27/77/633542777.db2.gz IDHZGYKNZHMYPV-JTQLQIEISA-N 0 0 259.349 3.006 20 10 CGCDRN CCc1ccccc1CC(=O)N[C@@H](C)c1ccccc1O ZINC000827969930 633542850 /nfs/dbraw/zinc/54/28/50/633542850.db2.gz VGQVZYLDUNYFSH-ZDUSSCGKSA-N 0 0 283.371 3.375 20 10 CGCDRN C[C@H](NC(=O)c1ccn(C2CCCC2)n1)c1ccccc1O ZINC000827973787 633543398 /nfs/dbraw/zinc/54/33/98/633543398.db2.gz YEKSJZIUQFXJDC-LBPRGKRZSA-N 0 0 299.374 3.195 20 10 CGCDRN CC(C)CCO[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978648 633544121 /nfs/dbraw/zinc/54/41/21/633544121.db2.gz ZBHNVOSFKJHVDZ-QWHCGFSZSA-N 0 0 279.380 3.021 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)c(C)o1 ZINC000827982021 633544155 /nfs/dbraw/zinc/54/41/55/633544155.db2.gz LABJKKCMBWQOJM-JTQLQIEISA-N 0 0 259.305 3.093 20 10 CGCDRN C[C@H](NC(=O)CCC(C)(F)F)c1ccccc1O ZINC000827981953 633544482 /nfs/dbraw/zinc/54/44/82/633544482.db2.gz IWQWAAVHUJBBEJ-VIFPVBQESA-N 0 0 257.280 3.005 20 10 CGCDRN COc1ccc(C)cc1CC(=O)N[C@@H](C)c1ccccc1O ZINC000827986351 633545154 /nfs/dbraw/zinc/54/51/54/633545154.db2.gz PQOASMLMJNYXHV-ZDUSSCGKSA-N 0 0 299.370 3.129 20 10 CGCDRN C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccsc1 ZINC000871202236 633723117 /nfs/dbraw/zinc/72/31/17/633723117.db2.gz AZFAORUKYAXDBS-JTQLQIEISA-N 0 0 273.357 3.100 20 10 CGCDRN CC1(C)CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871203036 633723466 /nfs/dbraw/zinc/72/34/66/633723466.db2.gz KYZAGDVHGOWMNQ-UHFFFAOYSA-N 0 0 273.376 3.451 20 10 CGCDRN Cc1cc(C)cc(CCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871204358 633724423 /nfs/dbraw/zinc/72/44/23/633724423.db2.gz YTILQPIKASHVBF-UHFFFAOYSA-N 0 0 295.382 3.484 20 10 CGCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccco1 ZINC000871208168 633726060 /nfs/dbraw/zinc/72/60/60/633726060.db2.gz ZPYJBPKJLKFLGF-LLVKDONJSA-N 0 0 271.316 3.021 20 10 CGCDRN O=C(c1cccc(C2CC2)c1)N1Cc2cccc(O)c2C1 ZINC000871206113 633726111 /nfs/dbraw/zinc/72/61/11/633726111.db2.gz RTNAHVSPTJIVGT-UHFFFAOYSA-N 0 0 279.339 3.426 20 10 CGCDRN O=C(NCc1ccccc1O)C1CC2(C1)CCCCC2 ZINC000830526042 633869105 /nfs/dbraw/zinc/86/91/05/633869105.db2.gz BMQNBRIJUFSWOW-UHFFFAOYSA-N 0 0 273.376 3.369 20 10 CGCDRN CCCOc1ccc(C[NH2+]C2([C@H](C)C(=O)[O-])CC2)cc1C ZINC000871874858 633906267 /nfs/dbraw/zinc/90/62/67/633906267.db2.gz YDCORMUHRKDZKG-CYBMUJFWSA-N 0 0 291.391 3.127 20 10 CGCDRN CC(C)(C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000019279487 633920382 /nfs/dbraw/zinc/92/03/82/633920382.db2.gz AMNCYDYANMGCIU-UHFFFAOYSA-N 0 0 254.333 3.185 20 10 CGCDRN C[C@H]1c2c(F)cccc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000831412058 633955342 /nfs/dbraw/zinc/95/53/42/633955342.db2.gz NLIOIKOUKNFJGT-LBPRGKRZSA-N 0 0 298.361 3.096 20 10 CGCDRN CCc1nnc(CN(CC2CC2)c2ccc(OC)cc2)o1 ZINC000831582655 633978590 /nfs/dbraw/zinc/97/85/90/633978590.db2.gz BFWQOLQORPDONF-UHFFFAOYSA-N 0 0 287.363 3.057 20 10 CGCDRN COc1ccc(N(CC(=O)c2cccn2C)CC2CC2)cc1 ZINC000831588043 633979954 /nfs/dbraw/zinc/97/99/54/633979954.db2.gz SCACCPSOHODFIT-UHFFFAOYSA-N 0 0 298.386 3.133 20 10 CGCDRN COc1ccc(N(CCCn2ccnc2)CC2CC2)cc1 ZINC000831587453 633980040 /nfs/dbraw/zinc/98/00/40/633980040.db2.gz ABSOGJVYANHUHY-UHFFFAOYSA-N 0 0 285.391 3.198 20 10 CGCDRN Cc1c(NC(=O)Cc2ccc(N)cc2)cnn1C1CCCC1 ZINC000832008675 634021698 /nfs/dbraw/zinc/02/16/98/634021698.db2.gz MUZQHXLANONAFS-UHFFFAOYSA-N 0 0 298.390 3.070 20 10 CGCDRN CC/C(C)=C\C(=O)NCc1cc(Br)ccc1O ZINC000832446097 634060669 /nfs/dbraw/zinc/06/06/69/634060669.db2.gz NVRZULFKVPDNTG-TWGQIWQCSA-N 0 0 298.180 3.127 20 10 CGCDRN CCn1ncc(N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000872138707 634061323 /nfs/dbraw/zinc/06/13/23/634061323.db2.gz ZTHFMEMNQHJPDY-GFCCVEGCSA-N 0 0 272.396 3.451 20 10 CGCDRN Nc1ccc(Cc2noc([C@]34C[C@H]3CCCC4)n2)cc1 ZINC000872171124 634075908 /nfs/dbraw/zinc/07/59/08/634075908.db2.gz PLJYGEWYMAHBBZ-MLGOLLRUSA-N 0 0 269.348 3.074 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](c2ccccc2)C1 ZINC000832826139 634101245 /nfs/dbraw/zinc/10/12/45/634101245.db2.gz CDAMMOLTWOUDGN-CYBMUJFWSA-N 0 0 287.384 3.474 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCCCc3cccnc32)cn1 ZINC000872291669 634104062 /nfs/dbraw/zinc/10/40/62/634104062.db2.gz ZGCLGYMMGWCSKK-KTKRTIGZSA-N 0 0 293.370 3.168 20 10 CGCDRN O=C(NCC[C@H]1CCc2ccccc21)C1=CC(=O)CS1 ZINC000833398359 634119674 /nfs/dbraw/zinc/11/96/74/634119674.db2.gz FTJUXYODCANGAH-GFCCVEGCSA-N 0 0 287.384 3.304 20 10 CGCDRN Cc1cc(N[C@H]2CCc3cccc(O)c32)cc(OCCO)c1 ZINC000834786993 634242403 /nfs/dbraw/zinc/24/24/03/634242403.db2.gz FUUXDFQOFKKGNS-INIZCTEOSA-N 0 0 299.370 3.171 20 10 CGCDRN CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000834897282 634273949 /nfs/dbraw/zinc/27/39/49/634273949.db2.gz ZNRCHWZKFYQEQG-MNOVXSKESA-N 0 0 277.343 3.160 20 10 CGCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000834911783 634285009 /nfs/dbraw/zinc/28/50/09/634285009.db2.gz KDKQUEFVGXJNHK-PSOPSSQASA-N 0 0 267.344 3.140 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccnc(Cl)c1 ZINC000124476621 634320181 /nfs/dbraw/zinc/32/01/81/634320181.db2.gz QMMVCFPWWIQIAS-UHFFFAOYSA-N 0 0 291.738 3.105 20 10 CGCDRN CCN(C/C=C/c1ccc(N(C)C)cc1)CC(F)F ZINC000835048261 634334662 /nfs/dbraw/zinc/33/46/62/634334662.db2.gz OYHLWLPZFWXUBL-AATRIKPKSA-N 0 0 268.351 3.353 20 10 CGCDRN CC(C)Cc1ccc(C(=O)NCc2ccc(N)cc2)cc1 ZINC000837303476 634883023 /nfs/dbraw/zinc/88/30/23/634883023.db2.gz ROPXUWXNJHOIOA-UHFFFAOYSA-N 0 0 282.387 3.397 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N[C@]2(C)CC=CCC2)cc1 ZINC000837380052 634899386 /nfs/dbraw/zinc/89/93/86/634899386.db2.gz MNMITYSXUUBZJH-QGZVFWFLSA-N 0 0 287.407 3.051 20 10 CGCDRN C[C@]1(COC(=O)C2=CC(=O)CS2)CC1(Cl)Cl ZINC000837516113 634923484 /nfs/dbraw/zinc/92/34/84/634923484.db2.gz XKDPXHMTGYPGDD-SECBINFHSA-N 0 0 281.160 3.194 20 10 CGCDRN C[C@H](O)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876967713 634940312 /nfs/dbraw/zinc/94/03/12/634940312.db2.gz LRFSDCYIBPGVGE-JTQLQIEISA-N 0 0 293.313 3.014 20 10 CGCDRN CN(C(=O)c1sccc1C1CC1)c1ccc(N)cc1 ZINC000877078987 634975949 /nfs/dbraw/zinc/97/59/49/634975949.db2.gz MPVCBEFRGGVFHY-UHFFFAOYSA-N 0 0 272.373 3.484 20 10 CGCDRN Cc1cccc(OCCC(=O)N(C)c2ccc(N)cc2)c1C ZINC000877081196 634976456 /nfs/dbraw/zinc/97/64/56/634976456.db2.gz WYFBJESUXMYLOX-UHFFFAOYSA-N 0 0 298.386 3.318 20 10 CGCDRN COc1cc(C)cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877113474 634987033 /nfs/dbraw/zinc/98/70/33/634987033.db2.gz LVMHRHCKXROTSL-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877141983 634999820 /nfs/dbraw/zinc/99/98/20/634999820.db2.gz OBGBCIYUMMUEIR-OLZOCXBDSA-N 0 0 299.361 3.354 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877141982 635000161 /nfs/dbraw/zinc/00/01/61/635000161.db2.gz OBGBCIYUMMUEIR-CHWSQXEVSA-N 0 0 299.361 3.354 20 10 CGCDRN Cc1csc([C@@H](C)C[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000877332459 635027372 /nfs/dbraw/zinc/02/73/72/635027372.db2.gz BECUBILKRHLMNL-QMMMGPOBSA-N 0 0 298.358 3.329 20 10 CGCDRN [O-]c1c(C[NH2+]CCC[C@H]2CCCCO2)ccc(F)c1F ZINC000877352876 635029936 /nfs/dbraw/zinc/02/99/36/635029936.db2.gz LHWLHDLJHNFHKG-GFCCVEGCSA-N 0 0 285.334 3.109 20 10 CGCDRN Cc1ccncc1NCc1ccc(N(C)C)cc1C ZINC000840880545 635071948 /nfs/dbraw/zinc/07/19/48/635071948.db2.gz CNRXHEKOVYODMK-UHFFFAOYSA-N 0 0 255.365 3.377 20 10 CGCDRN Cc1ccc([C@H](C)N[C@H](C)c2csnn2)c(O)c1C ZINC000840886545 635075428 /nfs/dbraw/zinc/07/54/28/635075428.db2.gz ZBSXCTWSDPEKSS-WDEREUQCSA-N 0 0 277.393 3.272 20 10 CGCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OC(C)(C)C)c(Cl)c1 ZINC000840927806 635083854 /nfs/dbraw/zinc/08/38/54/635083854.db2.gz DKIHQKPYBULGTB-JTQLQIEISA-N 0 0 299.798 3.174 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)C(C)C ZINC000840968276 635095940 /nfs/dbraw/zinc/09/59/40/635095940.db2.gz PYTUAFRSHICSHB-OCCSQVGLSA-N 0 0 289.778 3.070 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)C(C)C ZINC000840968933 635096055 /nfs/dbraw/zinc/09/60/55/635096055.db2.gz WNWQQBXQFUGQGO-OLZOCXBDSA-N 0 0 289.778 3.070 20 10 CGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1O ZINC000840997010 635100615 /nfs/dbraw/zinc/10/06/15/635100615.db2.gz GUXYAVLNNNZNIA-LLVKDONJSA-N 0 0 297.782 3.041 20 10 CGCDRN [O-]c1c(Cl)cccc1CNCC[NH2+]C1CCCCCC1 ZINC000841027612 635108107 /nfs/dbraw/zinc/10/81/07/635108107.db2.gz CYBLGHPNKFTUDO-UHFFFAOYSA-N 0 0 296.842 3.448 20 10 CGCDRN CCCC[C@H](CN)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841030289 635109202 /nfs/dbraw/zinc/10/92/02/635109202.db2.gz VYYBTYWSHJZJHE-LLVKDONJSA-N 0 0 291.222 3.306 20 10 CGCDRN CC(C)N(C)c1ccc(CNc2ccc(N)cc2)cn1 ZINC000841039804 635112075 /nfs/dbraw/zinc/11/20/75/635112075.db2.gz BWXXLSYCMNFEOK-UHFFFAOYSA-N 0 0 270.380 3.121 20 10 CGCDRN C[C@@H]1CC2(CCC2)CN1C(=O)Nc1ccc(N)cc1 ZINC000841297342 635148126 /nfs/dbraw/zinc/14/81/26/635148126.db2.gz OWIUHARSRIMIDW-LLVKDONJSA-N 0 0 259.353 3.065 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC000104262356 635148709 /nfs/dbraw/zinc/14/87/09/635148709.db2.gz PCGSXVBNEMUDHB-SYTKJHMZSA-N 0 0 282.318 3.384 20 10 CGCDRN CCS[C@@H]1CCCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300488 635149453 /nfs/dbraw/zinc/14/94/53/635149453.db2.gz QCPHZNGNYSMAIY-CQSZACIVSA-N 0 0 293.436 3.408 20 10 CGCDRN Cc1cccc(CN2Cc3ccccc3NC(=O)[C@@H]2C)c1O ZINC000877706010 635157349 /nfs/dbraw/zinc/15/73/49/635157349.db2.gz DFUNDBCBZUQJPM-ZDUSSCGKSA-N 0 0 296.370 3.043 20 10 CGCDRN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)c1csnn1 ZINC000841754758 635228852 /nfs/dbraw/zinc/22/88/52/635228852.db2.gz DCRHEDIWQYSQDF-JGVFFNPUSA-N 0 0 283.784 3.309 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](C)CCCCC(=O)[O-])cc1C ZINC000841795755 635237132 /nfs/dbraw/zinc/23/71/32/635237132.db2.gz WZJRVIYLFNEVMD-ZDUSSCGKSA-N 0 0 279.380 3.127 20 10 CGCDRN C[C@H](CCC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841809509 635237895 /nfs/dbraw/zinc/23/78/95/635237895.db2.gz ZSRRUCZQWHEIFU-CQSZACIVSA-N 0 0 290.407 3.020 20 10 CGCDRN COCCCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000841893896 635248598 /nfs/dbraw/zinc/24/85/98/635248598.db2.gz LCVUFTVEQAQXGT-UHFFFAOYSA-N 0 0 275.751 3.043 20 10 CGCDRN Nc1ccc(CCNC(=O)N2CCCCCCCC2)cc1 ZINC000841956178 635252446 /nfs/dbraw/zinc/25/24/46/635252446.db2.gz XPFIJSADIPBOIS-UHFFFAOYSA-N 0 0 289.423 3.177 20 10 CGCDRN CCC1(CC)CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841959563 635252773 /nfs/dbraw/zinc/25/27/73/635252773.db2.gz YLMBXRZJJQETHJ-UHFFFAOYSA-N 0 0 289.423 3.033 20 10 CGCDRN COC1(COc2ccc(N3CCCC3)cc2)CCC1 ZINC000842033766 635261170 /nfs/dbraw/zinc/26/11/70/635261170.db2.gz DJPRVHMPBRLYTG-UHFFFAOYSA-N 0 0 261.365 3.235 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)[C@H]2C)cc1OC ZINC000842048847 635265121 /nfs/dbraw/zinc/26/51/21/635265121.db2.gz LIVYMMDSFQJLDU-HBNTYKKESA-N 0 0 294.351 3.093 20 10 CGCDRN COc1ccc(N(C)Cc2nc3c(o2)CCCC3)cc1F ZINC000878186914 635401910 /nfs/dbraw/zinc/40/19/10/635401910.db2.gz PJRXUOMDDHXACV-UHFFFAOYSA-N 0 0 290.338 3.338 20 10 CGCDRN COc1ccc(N(Cc2nccnc2C)C(C)C)cc1F ZINC000878231477 635424638 /nfs/dbraw/zinc/42/46/38/635424638.db2.gz CABZNCOPPVWQJD-UHFFFAOYSA-N 0 0 289.354 3.348 20 10 CGCDRN CC[C@H](NCc1cc(C)c(C)cc1O)C(=O)OC(C)(C)C ZINC000842770968 635466188 /nfs/dbraw/zinc/46/61/88/635466188.db2.gz GCNHFZYEISYHBG-AWEZNQCLSA-N 0 0 293.407 3.219 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)C[C@@H](C)CC)c1ccc(F)cc1[O-] ZINC000842919850 635512444 /nfs/dbraw/zinc/51/24/44/635512444.db2.gz ZEQQAUOKDZQRAY-CORIIIEPSA-N 0 0 283.387 3.369 20 10 CGCDRN C[C@@H]([NH2+]CC1CCC(F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842927771 635514294 /nfs/dbraw/zinc/51/42/94/635514294.db2.gz GIEWNIHAPHHTBQ-VOMCLLRMSA-N 0 0 296.342 3.479 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)nc1 ZINC000843281206 635633592 /nfs/dbraw/zinc/63/35/92/635633592.db2.gz OCYIJRPBTHWZIF-UHFFFAOYSA-N 0 0 297.427 3.365 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843417186 635663375 /nfs/dbraw/zinc/66/33/75/635663375.db2.gz QRNMWEGXXIVPBD-DZGCQCFKSA-N 0 0 295.810 3.437 20 10 CGCDRN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843427337 635671493 /nfs/dbraw/zinc/67/14/93/635671493.db2.gz LQNUNVDOIGNTKY-KOLCDFICSA-N 0 0 289.778 3.071 20 10 CGCDRN CN1CCCc2cc(CNC(=O)C3CC4(CCC4)C3)ccc21 ZINC000843538686 635695483 /nfs/dbraw/zinc/69/54/83/635695483.db2.gz IXQDYWGFQNIGCW-UHFFFAOYSA-N 0 0 298.430 3.266 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CC2(CCC2)C1 ZINC000843765049 635778054 /nfs/dbraw/zinc/77/80/54/635778054.db2.gz CVGFJNWBGAJCIK-UHFFFAOYSA-N 0 0 298.430 3.483 20 10 CGCDRN C[C@H](N[C@H](C(=O)OC(C)(C)C)C1CC1)c1ccccc1O ZINC000879649641 635826865 /nfs/dbraw/zinc/82/68/65/635826865.db2.gz AHWGMXOJZVEVCB-NHYWBVRUSA-N 0 0 291.391 3.163 20 10 CGCDRN COc1ccc(N(C)Cc2ccnn2C(C)C)cc1 ZINC000844354646 635878719 /nfs/dbraw/zinc/87/87/19/635878719.db2.gz FLCJEJCCEQOAMO-UHFFFAOYSA-N 0 0 259.353 3.109 20 10 CGCDRN CCC(CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844851873 635975496 /nfs/dbraw/zinc/97/54/96/635975496.db2.gz JQCXFHCXLXYTLZ-UHFFFAOYSA-N 0 0 292.423 3.026 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000845284567 636020117 /nfs/dbraw/zinc/02/01/17/636020117.db2.gz NLMIRAWVJGIJFQ-OUJBWJOFSA-N 0 0 294.782 3.033 20 10 CGCDRN CCc1nsc(NCc2cc(Cl)ccc2O)n1 ZINC000845709225 636084507 /nfs/dbraw/zinc/08/45/07/636084507.db2.gz ONZIPURQAWHCOP-UHFFFAOYSA-N 0 0 269.757 3.072 20 10 CGCDRN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000846019082 636130502 /nfs/dbraw/zinc/13/05/02/636130502.db2.gz XKXLQPZGMBDVAY-YGRLFVJLSA-N 0 0 285.815 3.241 20 10 CGCDRN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000846055106 636139593 /nfs/dbraw/zinc/13/95/93/636139593.db2.gz CYNVRUNFMKWAIP-DGCLKSJQSA-N 0 0 287.762 3.232 20 10 CGCDRN CCOc1cccc(CNc2cnccc2CC)c1O ZINC000846071787 636141665 /nfs/dbraw/zinc/14/16/65/636141665.db2.gz RDGYHKXCHGKBPR-UHFFFAOYSA-N 0 0 272.348 3.360 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1cccc(OC)c1O)C(F)F ZINC000846170462 636152776 /nfs/dbraw/zinc/15/27/76/636152776.db2.gz OCEUAIMTUZJYAV-WCBMZHEXSA-N 0 0 259.296 3.095 20 10 CGCDRN C[C@H](CC(F)(F)F)C(=O)NCc1cc(Cl)ccc1O ZINC000846475704 636187803 /nfs/dbraw/zinc/18/78/03/636187803.db2.gz GIXBCXUVMNOWJX-SSDOTTSWSA-N 0 0 295.688 3.250 20 10 CGCDRN C[C@H]1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC000846474030 636187855 /nfs/dbraw/zinc/18/78/55/636187855.db2.gz QOMHWGKNCGYYSM-QWRGUYRKSA-N 0 0 281.783 3.488 20 10 CGCDRN 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Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCOC1 ZINC000107008596 636409208 /nfs/dbraw/zinc/40/92/08/636409208.db2.gz XQPSMSIYVORGGV-GFCCVEGCSA-N 0 0 291.372 3.101 20 10 CGCDRN COc1ccccc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882879809 636445250 /nfs/dbraw/zinc/44/52/50/636445250.db2.gz NVHTUGCORHEHPT-UHFFFAOYSA-N 0 0 293.313 3.011 20 10 CGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC000883017833 636508306 /nfs/dbraw/zinc/50/83/06/636508306.db2.gz COBMCSYVMWACTG-UONOGXRCSA-N 0 0 297.345 3.108 20 10 CGCDRN C[C@@H](CCc1cccn1C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883019333 636509402 /nfs/dbraw/zinc/50/94/02/636509402.db2.gz JQDGOOAWOWQNFI-NSHDSACASA-N 0 0 294.345 3.120 20 10 CGCDRN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883029166 636513477 /nfs/dbraw/zinc/51/34/77/636513477.db2.gz IMNPYGIYIHCZOB-BZNIZROVSA-N 0 0 299.361 3.211 20 10 CGCDRN Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CO2 ZINC000883046964 636520115 /nfs/dbraw/zinc/52/01/15/636520115.db2.gz DOJJHVDZCDJROO-CQSZACIVSA-N 0 0 291.297 3.202 20 10 CGCDRN Cc1cccnc1CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883134657 636550974 /nfs/dbraw/zinc/55/09/74/636550974.db2.gz FUVDLOSCNCFFQU-UHFFFAOYSA-N 0 0 292.329 3.096 20 10 CGCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCCO1 ZINC000883162106 636561456 /nfs/dbraw/zinc/56/14/56/636561456.db2.gz JSTHIQCWUSDEPW-KBPBESRZSA-N 0 0 285.334 3.108 20 10 CGCDRN C[C@@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)F ZINC000883399263 636739254 /nfs/dbraw/zinc/73/92/54/636739254.db2.gz IKLKEUOCSKTYHZ-ZXFLCMHBSA-N 0 0 259.271 3.323 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000085060903 636769970 /nfs/dbraw/zinc/76/99/70/636769970.db2.gz IBSBOPGQXXNBGL-SUNKGSAMSA-N 0 0 261.369 3.215 20 10 CGCDRN Nc1ccc(CNC(=O)CC[C@H]2CCc3ccccc32)cc1 ZINC000883508930 636775654 /nfs/dbraw/zinc/77/56/54/636775654.db2.gz KHTATSWPGFHKAP-MRXNPFEDSA-N 0 0 294.398 3.395 20 10 CGCDRN CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)cc1Cl ZINC000849308325 636803332 /nfs/dbraw/zinc/80/33/32/636803332.db2.gz KJMOTZJBCJFPAH-SNVBAGLBSA-N 0 0 291.800 3.366 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CC[C@H](C)C2)c1 ZINC000133082878 636873097 /nfs/dbraw/zinc/87/30/97/636873097.db2.gz GUWOCCLHBZHKJU-RWMBFGLXSA-N 0 0 291.391 3.404 20 10 CGCDRN O[C@H]1CCC[C@@H](CSc2ncc(Cl)s2)C1 ZINC000850000176 636925034 /nfs/dbraw/zinc/92/50/34/636925034.db2.gz LQKCUBGLVQJSKF-SFYZADRCSA-N 0 0 263.815 3.440 20 10 CGCDRN FC1(F)C[C@H]1OCCSc1ncc(Cl)s1 ZINC000850002120 636926252 /nfs/dbraw/zinc/92/62/52/636926252.db2.gz TXOKFZZJZHJWGY-RXMQYKEDSA-N 0 0 271.741 3.313 20 10 CGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)N(C)c1ccc(N)cc1 ZINC000884441871 637027761 /nfs/dbraw/zinc/02/77/61/637027761.db2.gz RIRBMUPZVVBUGE-MLGOLLRUSA-N 0 0 260.381 3.448 20 10 CGCDRN Oc1ccccc1CNc1ccc2c(c1)CCOC2 ZINC000850382562 637040297 /nfs/dbraw/zinc/04/02/97/637040297.db2.gz XJNUVRIRBGJYSD-UHFFFAOYSA-N 0 0 255.317 3.077 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850541311 637114734 /nfs/dbraw/zinc/11/47/34/637114734.db2.gz YFNYGTJLKUBITB-ZANVPECISA-N 0 0 264.325 3.140 20 10 CGCDRN CC[C@@H]([NH2+]CC1SCCS1)c1ccc(F)cc1[O-] ZINC000850559581 637123468 /nfs/dbraw/zinc/12/34/68/637123468.db2.gz DZUIAQCFYBALDQ-LLVKDONJSA-N 0 0 287.425 3.378 20 10 CGCDRN C[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000136402126 637335545 /nfs/dbraw/zinc/33/55/45/637335545.db2.gz OTXWCNJULPMWEW-SFYZADRCSA-N 0 0 260.164 3.445 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000007910102 637421581 /nfs/dbraw/zinc/42/15/81/637421581.db2.gz CBQLQHMAHKLWEZ-DHZHZOJOSA-N 0 0 298.361 3.221 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000886172209 637447500 /nfs/dbraw/zinc/44/75/00/637447500.db2.gz YIIWKZOBDCMARZ-WMLDXEAASA-N 0 0 275.392 3.337 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000886172208 637447933 /nfs/dbraw/zinc/44/79/33/637447933.db2.gz YIIWKZOBDCMARZ-RHSMWYFYSA-N 0 0 275.392 3.337 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000886316808 637496336 /nfs/dbraw/zinc/49/63/36/637496336.db2.gz NQPYTAQCCDNDCR-CYBMUJFWSA-N 0 0 297.345 3.109 20 10 CGCDRN C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1c([O-])cccc1F ZINC000886531172 637557190 /nfs/dbraw/zinc/55/71/90/637557190.db2.gz XLLPNBOKPVRJIB-ZUZCIYMTSA-N 0 0 295.379 3.151 20 10 CGCDRN CO[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(C)(C)C ZINC000886534276 637560293 /nfs/dbraw/zinc/56/02/93/637560293.db2.gz FELACUKDKPMBGJ-MFKMUULPSA-N 0 0 269.360 3.243 20 10 CGCDRN COC1CCC(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886536136 637561748 /nfs/dbraw/zinc/56/17/48/637561748.db2.gz BHHDCCCDYHISTJ-HIFPTAJRSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000886552362 637577121 /nfs/dbraw/zinc/57/71/21/637577121.db2.gz ZWTLWKNRYJQPPH-RYUDHWBXSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cncc(F)c1 ZINC000886588101 637595269 /nfs/dbraw/zinc/59/52/69/637595269.db2.gz LGGYRFRFDXZILN-UWVGGRQHSA-N 0 0 278.302 3.477 20 10 CGCDRN CCCc1ncc(CN[C@@H](C)c2c(O)cccc2F)o1 ZINC000886620510 637612239 /nfs/dbraw/zinc/61/22/39/637612239.db2.gz LMOXQZNOFDFAQL-JTQLQIEISA-N 0 0 278.327 3.323 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1c([O-])cccc1F ZINC000886624813 637614672 /nfs/dbraw/zinc/61/46/72/637614672.db2.gz AONPFYBEEKJCPP-BBBLOLIVSA-N 0 0 255.358 3.076 20 10 CGCDRN COCC1CCC([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886627014 637616620 /nfs/dbraw/zinc/61/66/20/637616620.db2.gz QVPXKMXUVZZGGL-HIFPTAJRSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886628298 637618299 /nfs/dbraw/zinc/61/82/99/637618299.db2.gz MAVQIRJSRKVSJV-QJPTWQEYSA-N 0 0 267.344 3.140 20 10 CGCDRN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)CCO1 ZINC000886628296 637618566 /nfs/dbraw/zinc/61/85/66/637618566.db2.gz MAVQIRJSRKVSJV-GRYCIOLGSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886646328 637626774 /nfs/dbraw/zinc/62/67/74/637626774.db2.gz FVXAEIDRMBERFY-PLQHRBFRSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1c([O-])cccc1F ZINC000886649591 637629576 /nfs/dbraw/zinc/62/95/76/637629576.db2.gz DRNMDCNONDBXLL-OZTPJHRESA-N 0 0 279.355 3.140 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@H]1CCCOC1 ZINC000886651971 637630837 /nfs/dbraw/zinc/63/08/37/637630837.db2.gz WEVLTKGXRCZGHF-DYEKYZERSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1c([O-])cccc1F ZINC000886703210 637666613 /nfs/dbraw/zinc/66/66/13/637666613.db2.gz PEGFKOYUGCZNBL-NWDGAFQWSA-N 0 0 279.355 3.141 20 10 CGCDRN Cc1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nn1 ZINC000853467441 637849842 /nfs/dbraw/zinc/84/98/42/637849842.db2.gz DDNUOHPGQLCLEK-UHFFFAOYSA-N 0 0 286.766 3.127 20 10 CGCDRN C[C@H](NC(=O)N1CC2CC1(C)C2)c1ccc(N(C)C)cc1 ZINC000854005405 637970196 /nfs/dbraw/zinc/97/01/96/637970196.db2.gz WZZDVDAVMPDNPA-POZPTJLLSA-N 0 0 287.407 3.008 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCSC12CCCCC2 ZINC000854386886 638047650 /nfs/dbraw/zinc/04/76/50/638047650.db2.gz SACIKCRJZMRIQS-UHFFFAOYSA-N 0 0 283.418 3.303 20 10 CGCDRN CCC(F)(F)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000854948007 638126504 /nfs/dbraw/zinc/12/65/04/638126504.db2.gz JGNMRXJSNFQFHB-LBPRGKRZSA-N 0 0 298.377 3.154 20 10 CGCDRN c1ccn(-c2ccc(-c3nc(C4CCOCC4)no3)cc2)c1 ZINC000113755320 638273881 /nfs/dbraw/zinc/27/38/81/638273881.db2.gz MWNWEAVYVTYUBS-UHFFFAOYSA-N 0 0 295.342 3.421 20 10 CGCDRN CCCC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000857159324 638464101 /nfs/dbraw/zinc/46/41/01/638464101.db2.gz NFQMHXQKNGUOHB-CQSZACIVSA-N 0 0 293.407 3.219 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)nc2C)c(OC)c1 ZINC000187320835 638534143 /nfs/dbraw/zinc/53/41/43/638534143.db2.gz BRVORWXRZMJACX-UHFFFAOYSA-N 0 0 286.375 3.352 20 10 CGCDRN C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cc(F)cc(F)c1[O-] ZINC000926914847 638824735 /nfs/dbraw/zinc/82/47/35/638824735.db2.gz DAFZOWBVRWPJIR-QSGSBWRWSA-N 0 0 297.345 3.280 20 10 CGCDRN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cc(F)cc(F)c1[O-] ZINC000927160043 638848734 /nfs/dbraw/zinc/84/87/34/638848734.db2.gz KOURAWFRMZMAJF-HZMBPMFUSA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1c([O-])cccc1F ZINC000927159359 638848738 /nfs/dbraw/zinc/84/87/38/638848738.db2.gz NNIDWWAARIFQBL-BXUZGUMPSA-N 0 0 279.355 3.284 20 10 CGCDRN O=C(C[C@H]1CCc2ccccc21)NCc1c(O)cccc1F ZINC000928704499 638889037 /nfs/dbraw/zinc/88/90/37/638889037.db2.gz ADOKZZOZQWHYDV-CYBMUJFWSA-N 0 0 299.345 3.268 20 10 CGCDRN CC(C)c1scnc1C(=O)NCc1c(O)cccc1F ZINC000928705947 638889495 /nfs/dbraw/zinc/88/94/95/638889495.db2.gz MUFWVJGQRWHKBG-UHFFFAOYSA-N 0 0 294.351 3.041 20 10 CGCDRN COc1ccc(N(Cc2nn(C)cc2C)C(C)C)cc1F ZINC000929950929 638963912 /nfs/dbraw/zinc/96/39/12/638963912.db2.gz OHAPZXVVPJICJS-UHFFFAOYSA-N 0 0 291.370 3.291 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000859594325 639170854 /nfs/dbraw/zinc/17/08/54/639170854.db2.gz WOGQWZAIEINWDN-SJORKVTESA-N 0 0 298.361 3.218 20 10 CGCDRN Oc1ccccc1CNc1cccc(C(F)(F)F)n1 ZINC000117871661 639473230 /nfs/dbraw/zinc/47/32/30/639473230.db2.gz PTFABCACIJYXKE-UHFFFAOYSA-N 0 0 268.238 3.418 20 10 CGCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862026645 639635174 /nfs/dbraw/zinc/63/51/74/639635174.db2.gz VYRFEAXVLHEQHH-WFASDCNBSA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862025829 639635288 /nfs/dbraw/zinc/63/52/88/639635288.db2.gz BGLUCABXXROHEH-KPZWWZAWSA-N 0 0 298.386 3.383 20 10 CGCDRN C[C@@H](NC(=O)C1(C)CC=CC1)c1ccc(N(C)C)cc1 ZINC000935464995 639821074 /nfs/dbraw/zinc/82/10/74/639821074.db2.gz PBGKJYPWTIYOPE-CYBMUJFWSA-N 0 0 272.392 3.286 20 10 CGCDRN COc1ccc(CNc2ccc(C)cc2[N+](=O)[O-])c(O)c1 ZINC000040906407 639898246 /nfs/dbraw/zinc/89/82/46/639898246.db2.gz JHBRDTHAKGEGED-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN Cc1oc(C)c(C(=O)N(C)Cc2ccccc2O)c1C ZINC000042117057 639910488 /nfs/dbraw/zinc/91/04/88/639910488.db2.gz AAFQRQJCSIWLMJ-UHFFFAOYSA-N 0 0 273.332 3.183 20 10 CGCDRN Cc1cccc(CNc2ccc(-n3cccn3)cc2)c1O ZINC000158042495 639996165 /nfs/dbraw/zinc/99/61/65/639996165.db2.gz JEZTYFOCVXRCFF-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN Cc1cccc(CN2CCCOc3ccccc32)c1O ZINC000158874336 640022874 /nfs/dbraw/zinc/02/28/74/640022874.db2.gz SJUKDVHMEDSLGW-UHFFFAOYSA-N 0 0 269.344 3.490 20 10 CGCDRN CC(C)Oc1ncccc1NCc1ccccc1O ZINC000048761168 640069611 /nfs/dbraw/zinc/06/96/11/640069611.db2.gz CZNCKTVAYMNBKX-UHFFFAOYSA-N 0 0 258.321 3.187 20 10 CGCDRN O=C1N[C@@H](c2cc(F)ccc2O)Nc2cc(Cl)ccc21 ZINC000077472263 640241568 /nfs/dbraw/zinc/24/15/68/640241568.db2.gz OXLVHOQLFAAYBZ-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN Cc1ccc(O)c(CNc2cnc3ccccc3n2)c1 ZINC000192152841 640354030 /nfs/dbraw/zinc/35/40/30/640354030.db2.gz HSVZPHAFNYIICN-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2ccoc2C)cc1 ZINC000079390988 640399812 /nfs/dbraw/zinc/39/98/12/640399812.db2.gz WYFWBMWDRHCSKX-UHFFFAOYSA-N 0 0 286.375 3.364 20 10 CGCDRN CC(C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000304062290 640855076 /nfs/dbraw/zinc/85/50/76/640855076.db2.gz QKLACTLPDCTIOS-ZDUSSCGKSA-N 0 0 292.206 3.196 20 10 CGCDRN CC[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000119962650 641045239 /nfs/dbraw/zinc/04/52/39/641045239.db2.gz BCRLDALSWDJFCI-WDEREUQCSA-N 0 0 269.772 3.045 20 10 CGCDRN Oc1ccc(-c2nc3c(ccc4ncccc34)[nH]2)cc1O ZINC001250465185 805633589 /nfs/dbraw/zinc/63/35/89/805633589.db2.gz ZSIDWDMNWAHVPP-UHFFFAOYSA-N 0 0 277.283 3.189 20 10 CGCDRN COc1cc(-c2nc3cc(F)cc(C)c3[nH]2)cc(O)c1O ZINC001250490164 805649682 /nfs/dbraw/zinc/64/96/82/805649682.db2.gz VHYNNLCDGZPZSK-UHFFFAOYSA-N 0 0 288.278 3.097 20 10 CGCDRN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2c(O)cccc2F)C1(C)C ZINC001156170727 805661779 /nfs/dbraw/zinc/66/17/79/805661779.db2.gz SWOQMYLZZPNXIJ-DOMZBBRYSA-N 0 0 291.366 3.386 20 10 CGCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)c1ccccc1F ZINC001156170038 805662142 /nfs/dbraw/zinc/66/21/42/805662142.db2.gz CYOVRWXBEWZPAA-SNVBAGLBSA-N 0 0 291.297 3.090 20 10 CGCDRN Cc1cc(Cl)nc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156920540 805752899 /nfs/dbraw/zinc/75/28/99/805752899.db2.gz BFTKQHBRWJDKEF-UHFFFAOYSA-N 0 0 290.798 3.141 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cccc(Cl)n2)cc1 ZINC001156921537 805753201 /nfs/dbraw/zinc/75/32/01/805753201.db2.gz ZVPDBBNZXLNWKV-UHFFFAOYSA-N 0 0 275.783 3.437 20 10 CGCDRN CS/C=C/C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041953 805768401 /nfs/dbraw/zinc/76/84/01/805768401.db2.gz QYNDNKKUJVOSLG-CMDGGOBGSA-N 0 0 273.357 3.038 20 10 CGCDRN Cc1c2nc(-c3cc(O)c(O)c(O)c3)[nH]c2ccc1Cl ZINC001251248460 805873035 /nfs/dbraw/zinc/87/30/35/805873035.db2.gz SHHGKJKAVRNEDI-UHFFFAOYSA-N 0 0 290.706 3.309 20 10 CGCDRN Cc1cc2[nH]c(-c3cc(O)c(O)cc3O)nc2cc1Cl ZINC001251355578 805885825 /nfs/dbraw/zinc/88/58/25/805885825.db2.gz UXXRJKBJLAZMNZ-UHFFFAOYSA-N 0 0 290.706 3.309 20 10 CGCDRN Oc1cc(O)c(-c2nc3c(cccc3Cl)[nH]2)cc1O ZINC001251355347 805886023 /nfs/dbraw/zinc/88/60/23/805886023.db2.gz HCXBAQQBLUVHDW-UHFFFAOYSA-N 0 0 276.679 3.000 20 10 CGCDRN Cc1cc2c(ccnc2NCc2ccc(O)c(O)c2)o1 ZINC001158997679 806029666 /nfs/dbraw/zinc/02/96/66/806029666.db2.gz NMOYKRSQRXPNTD-UHFFFAOYSA-N 0 0 270.288 3.160 20 10 CGCDRN Nc1ccc(Nc2nccnc2OCc2ccccc2)cc1 ZINC001159170984 806055477 /nfs/dbraw/zinc/05/54/77/806055477.db2.gz TVFOCSLCLGUSHS-UHFFFAOYSA-N 0 0 292.342 3.381 20 10 CGCDRN CCOc1nccc(NCc2cc3ccccc3cc2O)n1 ZINC001160207893 806235348 /nfs/dbraw/zinc/23/53/48/806235348.db2.gz VFBQGWQCECRRFA-UHFFFAOYSA-N 0 0 295.342 3.346 20 10 CGCDRN Oc1ccc(-c2nnc(-c3cccc(Cl)c3)o2)cc1O ZINC001253735498 806290585 /nfs/dbraw/zinc/29/05/85/806290585.db2.gz NYAPZFCDHXKGGF-UHFFFAOYSA-N 0 0 288.690 3.468 20 10 CGCDRN Cc1cccc(CNc2cc(Cl)ncc2[N+](=O)[O-])c1O ZINC001160765177 806300343 /nfs/dbraw/zinc/30/03/43/806300343.db2.gz VSVVJZHENSLSNO-UHFFFAOYSA-N 0 0 293.710 3.269 20 10 CGCDRN CCc1cc(CC)nc(NCc2cccc(C)c2O)n1 ZINC001160771512 806302090 /nfs/dbraw/zinc/30/20/90/806302090.db2.gz XWWOCPRDOPUZHC-UHFFFAOYSA-N 0 0 271.364 3.228 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(N)cc2Cl)c(O)c1 ZINC001160810265 806305674 /nfs/dbraw/zinc/30/56/74/806305674.db2.gz OGXWMYUHTCVSDN-UHFFFAOYSA-N 0 0 277.755 3.252 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)[C@@H]1C ZINC001161251445 806360558 /nfs/dbraw/zinc/36/05/58/806360558.db2.gz XPWPFANFGCPQHL-MXWKQRLJSA-N 0 0 295.354 3.039 20 10 CGCDRN Nc1ccc(CNc2nccc3c(Cl)ccnc32)cc1 ZINC001162784203 806665012 /nfs/dbraw/zinc/66/50/12/806665012.db2.gz GZOFIEJYGYHPNL-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000037805313 798874368 /nfs/dbraw/zinc/87/43/68/798874368.db2.gz USHRMUUYGJNFJJ-ZDUSSCGKSA-N 0 0 268.360 3.031 20 10 CGCDRN Cc1ccc(F)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000053008836 798897071 /nfs/dbraw/zinc/89/70/71/798897071.db2.gz GINAWADONNYHOW-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN C[N@H+](CCc1ccccc1)Cc1cccc(F)c1[O-] ZINC000160241327 799075445 /nfs/dbraw/zinc/07/54/45/799075445.db2.gz OESJWPKAVXNXKD-UHFFFAOYSA-N 0 0 259.324 3.206 20 10 CGCDRN C[C@@H]([NH2+]C1CCC1)c1cc(Br)cc(F)c1[O-] ZINC000390497133 799471944 /nfs/dbraw/zinc/47/19/44/799471944.db2.gz SLIHZFILODMWKB-SSDOTTSWSA-N 0 0 288.160 3.497 20 10 CGCDRN Cc1nnc([C@@H](C)N[C@@H](C)c2cc(F)ccc2O)s1 ZINC000391804708 799477874 /nfs/dbraw/zinc/47/78/74/799477874.db2.gz ISEUBGURORXXKM-JGVFFNPUSA-N 0 0 281.356 3.103 20 10 CGCDRN C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc2ccccc2c1O ZINC000395851732 799507431 /nfs/dbraw/zinc/50/74/31/799507431.db2.gz MCRYPAQXNMCGAN-CYBMUJFWSA-N 0 0 285.387 3.359 20 10 CGCDRN Cc1cc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000397508659 799516917 /nfs/dbraw/zinc/51/69/17/799516917.db2.gz WESLPMQXPCVLPD-UHFFFAOYSA-N 0 0 276.767 3.347 20 10 CGCDRN CCN(CC)c1ccc(CN[C@@H](C)c2csnn2)cc1 ZINC000398411882 799530525 /nfs/dbraw/zinc/53/05/25/799530525.db2.gz MGHQCWZGWAUAML-LBPRGKRZSA-N 0 0 290.436 3.235 20 10 CGCDRN C[C@@H](CN(C)C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000399383084 799538302 /nfs/dbraw/zinc/53/83/02/799538302.db2.gz OSVJJJAQTVMOLC-NSHDSACASA-N 0 0 263.385 3.415 20 10 CGCDRN Cc1cc(Cl)cc(C)c1C=C1SC(=S)NC1=O ZINC000588386692 799685386 /nfs/dbraw/zinc/68/53/86/799685386.db2.gz XJEBTOSIRMYAJS-BJMVGYQFSA-N 0 0 283.805 3.446 20 10 CGCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])O1 ZINC000688900852 799757628 /nfs/dbraw/zinc/75/76/28/799757628.db2.gz PRTSAIXMPNJZGZ-PWSUYJOCSA-N 0 0 269.772 3.093 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(F)cc1[O-] ZINC000688885149 799757846 /nfs/dbraw/zinc/75/78/46/799757846.db2.gz SLIVOWDEKXAJLQ-MDZLAQPJSA-N 0 0 267.344 3.140 20 10 CGCDRN CC(C)(C)OCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000695277768 799827965 /nfs/dbraw/zinc/82/79/65/799827965.db2.gz AWFFOJQJFSFAHN-UHFFFAOYSA-N 0 0 271.788 3.340 20 10 CGCDRN CCC(F)(F)CNCc1cc(Cl)cc(OC)c1O ZINC000697605746 799847708 /nfs/dbraw/zinc/84/77/08/799847708.db2.gz KLEMJTIKUPKFIS-UHFFFAOYSA-N 0 0 279.714 3.189 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CC=CCC2)ccc(F)c1F ZINC000700766089 799878953 /nfs/dbraw/zinc/87/89/53/799878953.db2.gz VQHMSVKAWQCWNJ-JTQLQIEISA-N 0 0 253.292 3.116 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000701933964 799899091 /nfs/dbraw/zinc/89/90/91/799899091.db2.gz CMHRSZNKZWHOQA-RKDXNWHRSA-N 0 0 259.271 3.227 20 10 CGCDRN Cc1ccc(SCC(=O)NCc2ccccc2O)cc1 ZINC000706226510 799959392 /nfs/dbraw/zinc/95/93/92/799959392.db2.gz DGLZJAPLFSJSAB-UHFFFAOYSA-N 0 0 287.384 3.109 20 10 CGCDRN CS[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708466985 799988861 /nfs/dbraw/zinc/98/88/61/799988861.db2.gz WWFDGIXHPUWXRI-QWRGUYRKSA-N 0 0 273.348 3.044 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000710608832 800036886 /nfs/dbraw/zinc/03/68/86/800036886.db2.gz RXXNEZBVDVUYDG-SUZMYJTESA-N 0 0 251.757 3.324 20 10 CGCDRN Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711479456 800062356 /nfs/dbraw/zinc/06/23/56/800062356.db2.gz XYYGYTXBCMARBY-JTQLQIEISA-N 0 0 257.736 3.227 20 10 CGCDRN C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715716210 800145182 /nfs/dbraw/zinc/14/51/82/800145182.db2.gz DIKXWKCRCPMMGK-HTQZYQBOSA-N 0 0 288.160 3.039 20 10 CGCDRN Cc1cc(C(=O)Nc2conc2C)c(C)n1-c1ccccn1 ZINC001164198137 806913548 /nfs/dbraw/zinc/91/35/48/806913548.db2.gz KJRLDGCHVQEVCY-UHFFFAOYSA-N 0 0 296.330 3.038 20 10 CGCDRN O=C(NCc1ccccc1O)Nc1ccc2cc[nH]c2c1 ZINC001116853462 802419581 /nfs/dbraw/zinc/41/95/81/802419581.db2.gz HICYWTXBWOAXOG-UHFFFAOYSA-N 0 0 281.315 3.195 20 10 CGCDRN CC(C)(NCc1ccc(N2CCCC2)cc1)C(F)F ZINC001116866240 802421266 /nfs/dbraw/zinc/42/12/66/802421266.db2.gz WKZSDOUZBVBYGL-UHFFFAOYSA-N 0 0 268.351 3.420 20 10 CGCDRN COc1cc(NCc2ccc(N3CCCC3)cc2)ccc1N ZINC001117953428 802513468 /nfs/dbraw/zinc/51/34/68/802513468.db2.gz GSHWKMGTLUACLN-UHFFFAOYSA-N 0 0 297.402 3.490 20 10 CGCDRN Nc1ccc(Cc2noc([C@H]3CCC[C@@H](F)C3)n2)cc1 ZINC001118243696 802540725 /nfs/dbraw/zinc/54/07/25/802540725.db2.gz YRHRJJKJYMDZFP-NWDGAFQWSA-N 0 0 275.327 3.238 20 10 CGCDRN Nc1ccc(CNC(=O)/C(F)=C/C2CCCCC2)cc1 ZINC001122445441 802870492 /nfs/dbraw/zinc/87/04/92/802870492.db2.gz SBHFDCPSYWZFNJ-GDNBJRDFSA-N 0 0 276.355 3.319 20 10 CGCDRN O=C(NCc1cccc(O)c1O)/C(F)=C\C1CCCCC1 ZINC001123889242 802979251 /nfs/dbraw/zinc/97/92/51/802979251.db2.gz NWXMZJHDCIYTIP-UKTHLTGXSA-N 0 0 293.338 3.148 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cn(C)cn2)cc1Cl ZINC001125975505 803080442 /nfs/dbraw/zinc/08/04/42/803080442.db2.gz MMNOODRNTYAMOW-ALCCZGGFSA-N 0 0 289.766 3.058 20 10 CGCDRN Cn1c(=O)ccc2ccc(-c3cccc4[nH]cnc43)cc21 ZINC001243935206 803086729 /nfs/dbraw/zinc/08/67/29/803086729.db2.gz UXVTZBHQFVPADL-UHFFFAOYSA-N 0 0 275.311 3.082 20 10 CGCDRN CCn1ccc(-c2cc(C(C)C)ccc2N)cc1=O ZINC001244230725 803251552 /nfs/dbraw/zinc/25/15/52/803251552.db2.gz XXVKRQUAJGHEAV-UHFFFAOYSA-N 0 0 256.349 3.241 20 10 CGCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1cccc(C)c1F ZINC001132802691 803436686 /nfs/dbraw/zinc/43/66/86/803436686.db2.gz REANWTPTCXRQHB-RAXLEYEMSA-N 0 0 299.349 3.381 20 10 CGCDRN CCOc1ncc(-c2ccn(CC(C)C)c(=O)c2)cc1C ZINC001244681956 803491828 /nfs/dbraw/zinc/49/18/28/803491828.db2.gz CQSSRKNQSYPISX-UHFFFAOYSA-N 0 0 286.375 3.273 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC(C)(F)F ZINC001135800384 803612922 /nfs/dbraw/zinc/61/29/22/803612922.db2.gz DVSKLYHSZXDAEF-UHFFFAOYSA-N 0 0 296.361 3.291 20 10 CGCDRN CN1CCCc2cc(CNC(=O)/C=C/C3CCCC3)ccc21 ZINC001136436993 803643528 /nfs/dbraw/zinc/64/35/28/803643528.db2.gz SCIZPDISTYZKKY-PKNBQFBNSA-N 0 0 298.430 3.432 20 10 CGCDRN CN(C)c1ccc(CN(C)Cc2scnc2Cl)cc1 ZINC001137824732 803778440 /nfs/dbraw/zinc/77/84/40/803778440.db2.gz DYDBUJVOIAEESG-UHFFFAOYSA-N 0 0 295.839 3.495 20 10 CGCDRN Oc1cccc(F)c1CN1CCc2ccc(F)cc2C1 ZINC001137839073 803779756 /nfs/dbraw/zinc/77/97/56/803779756.db2.gz QDZRQNXLTSCZNO-UHFFFAOYSA-N 0 0 275.298 3.229 20 10 CGCDRN CN(Cc1ccc(Cl)nc1)Cc1c(O)cccc1F ZINC001137839035 803780414 /nfs/dbraw/zinc/78/04/14/803780414.db2.gz OUGKKSHMKDZSEV-UHFFFAOYSA-N 0 0 280.730 3.212 20 10 CGCDRN [O-]c1cccc(F)c1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001137833179 803781313 /nfs/dbraw/zinc/78/13/13/803781313.db2.gz WFSDGRRXUGIYCT-KOLCDFICSA-N 0 0 271.282 3.008 20 10 CGCDRN Oc1cccc(F)c1CN1CCc2cc(F)c(F)cc2C1 ZINC001137841882 803783054 /nfs/dbraw/zinc/78/30/54/803783054.db2.gz YRDKZTKNECLMSX-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCC[C@@H]1C ZINC001138122584 803861972 /nfs/dbraw/zinc/86/19/72/803861972.db2.gz ONJWDXDVPDNHMH-RYUDHWBXSA-N 0 0 251.345 3.399 20 10 CGCDRN Oc1c(F)cccc1CN1Cc2ccc(F)cc2C1 ZINC001138128344 803862804 /nfs/dbraw/zinc/86/28/04/803862804.db2.gz DQFNXKOCEMILSZ-UHFFFAOYSA-N 0 0 261.271 3.186 20 10 CGCDRN Cc1c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c2ccccc2n1C ZINC001138259111 803885938 /nfs/dbraw/zinc/88/59/38/803885938.db2.gz BNGMOBRTKWUHQG-QWHCGFSZSA-N 0 0 272.392 3.096 20 10 CGCDRN Oc1cccc(Cl)c1Nc1ccncc1Cl ZINC001212157496 814986039 /nfs/dbraw/zinc/98/60/39/814986039.db2.gz NZOHQJXTTNPIOM-UHFFFAOYSA-N 0 0 255.104 3.260 20 10 CGCDRN Cc1cc(CN(C)CC(=O)c2ccccc2)ccc1N(C)C ZINC001139673870 804247262 /nfs/dbraw/zinc/24/72/62/804247262.db2.gz LVSXGZAWWHEDGR-UHFFFAOYSA-N 0 0 296.414 3.376 20 10 CGCDRN Cc1cc2c(cn1)CN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139673742 804247557 /nfs/dbraw/zinc/24/75/57/804247557.db2.gz XJCPUHIRKOGKRQ-UHFFFAOYSA-N 0 0 281.403 3.280 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001139683357 804251854 /nfs/dbraw/zinc/25/18/54/804251854.db2.gz HOINJJZLZIVKDV-LBPRGKRZSA-N 0 0 290.313 3.055 20 10 CGCDRN CCCCC1(C(=O)C(=O)CC(C)(C)CC(=O)OCC)CC1 ZINC001140203452 804401995 /nfs/dbraw/zinc/40/19/95/804401995.db2.gz JLRKAOTWMLJXHR-UHFFFAOYSA-N 0 0 296.407 3.465 20 10 CGCDRN CC[N@H+](Cc1ccccn1)Cc1c([O-])cc(F)cc1F ZINC001140583240 804465877 /nfs/dbraw/zinc/46/58/77/804465877.db2.gz ASNVKSZGYAHTNF-UHFFFAOYSA-N 0 0 278.302 3.088 20 10 CGCDRN Cc1ccc(F)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140595006 804471265 /nfs/dbraw/zinc/47/12/65/804471265.db2.gz WUXHKQXWBBIOKT-UHFFFAOYSA-N 0 0 271.335 3.398 20 10 CGCDRN Cc1snnc1-c1nc(-c2cc(C)cc(F)c2F)no1 ZINC001212405386 815020227 /nfs/dbraw/zinc/02/02/27/815020227.db2.gz RBPWMZXEPPMQKZ-UHFFFAOYSA-N 0 0 294.286 3.150 20 10 CGCDRN CCc1ccc(-c2noc(-c3nnsc3C)n2)cc1 ZINC001212405136 815020389 /nfs/dbraw/zinc/02/03/89/815020389.db2.gz IVJDWHNGVDWOMX-UHFFFAOYSA-N 0 0 272.333 3.126 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(C)c(F)c2F)no1 ZINC001212405050 815021237 /nfs/dbraw/zinc/02/12/37/815021237.db2.gz FMOZWPGNTYGKEC-UHFFFAOYSA-N 0 0 294.286 3.150 20 10 CGCDRN Cc1nocc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256941365 807013202 /nfs/dbraw/zinc/01/32/02/807013202.db2.gz XEXUQRDMRVUOOQ-UHFFFAOYSA-N 0 0 292.298 3.491 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)[C@H]2CCCOC2)c(Cl)c1 ZINC001140925550 804551075 /nfs/dbraw/zinc/55/10/75/804551075.db2.gz CWWYVEZTMRHWDE-AWEZNQCLSA-N 0 0 282.815 3.017 20 10 CGCDRN Cc1ccc(CN2CC[C@H](CF)C(F)(F)C2)c(O)c1 ZINC001140947894 804556416 /nfs/dbraw/zinc/55/64/16/804556416.db2.gz KCBUPGZYMOTSPU-GFCCVEGCSA-N 0 0 273.298 3.127 20 10 CGCDRN Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001140951052 804557894 /nfs/dbraw/zinc/55/78/94/804557894.db2.gz WHPOJMDCVRRYIM-CYBMUJFWSA-N 0 0 274.389 3.494 20 10 CGCDRN CCC/C=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001142418854 804721907 /nfs/dbraw/zinc/72/19/07/804721907.db2.gz MBTUZDCXPFIIEP-CDNLZTBQSA-N 0 0 288.435 3.465 20 10 CGCDRN C[C@]1(F)CCCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508681 804727762 /nfs/dbraw/zinc/72/77/62/804727762.db2.gz HWAHQMNFVVOQSN-AWEZNQCLSA-N 0 0 273.298 3.385 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CCC[C@@H]1c1nccs1 ZINC001142527548 804733576 /nfs/dbraw/zinc/73/35/76/804733576.db2.gz YRWAJXUYAIKHMJ-GFCCVEGCSA-N 0 0 296.342 3.464 20 10 CGCDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC001143703011 804886161 /nfs/dbraw/zinc/88/61/61/804886161.db2.gz ITJVVWNRSXQHJF-OCCSQVGLSA-N 0 0 291.391 3.495 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299309 804970583 /nfs/dbraw/zinc/97/05/83/804970583.db2.gz VXQPETPZMSZANP-MRVPVSSYSA-N 0 0 288.160 3.136 20 10 CGCDRN CCc1ccccc1C(=O)N1CCc2cccc(O)c2C1 ZINC001148409756 805179964 /nfs/dbraw/zinc/17/99/64/805179964.db2.gz JSVBJVCAGGSJDJ-UHFFFAOYSA-N 0 0 281.355 3.153 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cc(F)cc(Cl)c1 ZINC001150727365 805265657 /nfs/dbraw/zinc/26/56/57/805265657.db2.gz KSUZNKQAEUTDDW-UHFFFAOYSA-N 0 0 295.697 3.072 20 10 CGCDRN C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccccc1O ZINC001151885660 805319357 /nfs/dbraw/zinc/31/93/57/805319357.db2.gz AWVWIOFXXWRZQF-SECBINFHSA-N 0 0 277.270 3.161 20 10 CGCDRN Cc1cc(F)ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001151892106 805320438 /nfs/dbraw/zinc/32/04/38/805320438.db2.gz JKKZTEZHMZKIRC-NSHDSACASA-N 0 0 273.307 3.331 20 10 CGCDRN Cc1cc(N2CCOCC2)ccc1CCC(F)(F)F ZINC001250152714 805447128 /nfs/dbraw/zinc/44/71/28/805447128.db2.gz NFSWVKYRULLTBN-UHFFFAOYSA-N 0 0 273.298 3.327 20 10 CGCDRN Cc1nc(Cl)ccc1Nc1cccc(O)c1O ZINC001250155917 805449152 /nfs/dbraw/zinc/44/91/52/805449152.db2.gz GPQQCWCARCUELT-UHFFFAOYSA-N 0 0 250.685 3.198 20 10 CGCDRN CCN(Cc1ccccc1O)c1c(C)nc(C)nc1Cl ZINC001154889820 805506175 /nfs/dbraw/zinc/50/61/75/805506175.db2.gz IGKDUWDFARMICT-UHFFFAOYSA-N 0 0 291.782 3.479 20 10 CGCDRN CCSc1cncc(N(CC)Cc2ccccc2O)n1 ZINC001154890886 805506190 /nfs/dbraw/zinc/50/61/90/805506190.db2.gz UIKLJBNIXGVIML-UHFFFAOYSA-N 0 0 289.404 3.321 20 10 CGCDRN Fc1cccc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679558 815101532 /nfs/dbraw/zinc/10/15/32/815101532.db2.gz JOQOZNCFPBHAGE-UHFFFAOYSA-N 0 0 288.307 3.272 20 10 CGCDRN Cc1ccccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679644 815101673 /nfs/dbraw/zinc/10/16/73/815101673.db2.gz MWIOUPVWKIWXHB-UHFFFAOYSA-N 0 0 284.344 3.441 20 10 CGCDRN COc1cccc2nc(NCc3ccc(O)c(O)c3)ccc21 ZINC001169990670 807733853 /nfs/dbraw/zinc/73/38/53/807733853.db2.gz LLBGTTNLRRFYNE-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN Oc1ccc(CNc2ccc(F)c(-n3ccnc3)c2)cc1O ZINC001169997331 807736231 /nfs/dbraw/zinc/73/62/31/807736231.db2.gz ZKUHYZBTOQLSKJ-UHFFFAOYSA-N 0 0 299.305 3.035 20 10 CGCDRN CC[C@H](COC(=O)c1ccc(C)c(O)c1O)CC(F)F ZINC001261584099 807763568 /nfs/dbraw/zinc/76/35/68/807763568.db2.gz PEOUYXZNHZZAJO-VIFPVBQESA-N 0 0 288.290 3.244 20 10 CGCDRN CCc1nccc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC001262060909 807817043 /nfs/dbraw/zinc/81/70/43/807817043.db2.gz MMSXOWMQVTVYFZ-UHFFFAOYSA-N 0 0 280.375 3.027 20 10 CGCDRN CCOC(=O)CN(CCCC(C)C)Cc1ccccc1O ZINC001171390469 808042099 /nfs/dbraw/zinc/04/20/99/808042099.db2.gz NICCTORKTSQJTO-UHFFFAOYSA-N 0 0 293.407 3.194 20 10 CGCDRN COCc1cnc(NCc2cc3ccccc3cc2O)nc1 ZINC001171399463 808045703 /nfs/dbraw/zinc/04/57/03/808045703.db2.gz GVGMBJLEPRAPRK-UHFFFAOYSA-N 0 0 295.342 3.094 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(C)n1 ZINC001269589079 808690110 /nfs/dbraw/zinc/69/01/10/808690110.db2.gz YKPXHVJYEUCEAQ-CQSZACIVSA-N 0 0 297.402 3.255 20 10 CGCDRN Cn1cc(Nc2cccc3c2C(=O)c2ccccc2-3)cn1 ZINC001174331205 808955349 /nfs/dbraw/zinc/95/53/49/808955349.db2.gz FBXSOZYODGXVNS-UHFFFAOYSA-N 0 0 275.311 3.375 20 10 CGCDRN O=C1c2ccccc2-c2cccc(Nc3cncnc3)c21 ZINC001174387098 808987513 /nfs/dbraw/zinc/98/75/13/808987513.db2.gz IPBNMAWKSJCHPY-UHFFFAOYSA-N 0 0 273.295 3.432 20 10 CGCDRN Nc1ccc(N(CCO)c2cccc(C(F)F)c2)cc1 ZINC001174618771 809106157 /nfs/dbraw/zinc/10/61/57/809106157.db2.gz BOWPVMYEHMIWQW-UHFFFAOYSA-N 0 0 278.302 3.337 20 10 CGCDRN O=C(c1cccc2[nH]ccc21)N1Cc2cccc(O)c2C1 ZINC001175029560 809246311 /nfs/dbraw/zinc/24/63/11/809246311.db2.gz HUQFCOTXXJKUKJ-UHFFFAOYSA-N 0 0 278.311 3.030 20 10 CGCDRN CN(c1ccc(N)cc1)c1c(F)ccc(F)c1F ZINC001175032244 809247307 /nfs/dbraw/zinc/24/73/07/809247307.db2.gz XWZBFHYYPZVXKP-UHFFFAOYSA-N 0 0 252.239 3.454 20 10 CGCDRN COc1ccc(F)c(Nc2ccc(N)cc2)c1F ZINC001175119089 809279266 /nfs/dbraw/zinc/27/92/66/809279266.db2.gz GWDQMUSXEREVKE-UHFFFAOYSA-N 0 0 250.248 3.299 20 10 CGCDRN CCOc1ccc(N(CCO)c2ccc(N)cc2)c(C)c1 ZINC001175243815 809322268 /nfs/dbraw/zinc/32/22/68/809322268.db2.gz IFINXYDXIATVRV-UHFFFAOYSA-N 0 0 286.375 3.106 20 10 CGCDRN CCCCN(C(=O)/C=C\c1cncc(F)c1)c1ccccn1 ZINC001287446992 809340683 /nfs/dbraw/zinc/34/06/83/809340683.db2.gz KPGMRVJWKKIFLI-FPLPWBNLSA-N 0 0 299.349 3.462 20 10 CGCDRN O=C(N[C@H](c1cccs1)C1CC1)c1cccc(O)c1O ZINC001290534662 809408985 /nfs/dbraw/zinc/40/89/85/809408985.db2.gz YRHSXFDCEYEGFX-ZDUSSCGKSA-N 0 0 289.356 3.040 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)/C=C\c2ccccc2)c1 ZINC001301046476 809578233 /nfs/dbraw/zinc/57/82/33/809578233.db2.gz BPHQEEKKJUMVBB-NTMALXAHSA-N 0 0 267.328 3.030 20 10 CGCDRN C[C@H](NC(=O)c1nccc(Cl)c1F)c1ccccc1O ZINC001302538125 809596478 /nfs/dbraw/zinc/59/64/78/809596478.db2.gz HVZXLEVEMVWDBS-QMMMGPOBSA-N 0 0 294.713 3.071 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccccc1O ZINC001302530317 809596532 /nfs/dbraw/zinc/59/65/32/809596532.db2.gz KYHBYLGCPWSVRM-SECBINFHSA-N 0 0 277.270 3.161 20 10 CGCDRN O=C(c1nccc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001302788633 809601481 /nfs/dbraw/zinc/60/14/81/809601481.db2.gz ZHOPANXIJJGNEX-UHFFFAOYSA-N 0 0 290.322 3.096 20 10 CGCDRN Cc1ccc(/C=C\CC(=O)NCc2cc(O)ccc2O)cc1 ZINC001176748313 809756256 /nfs/dbraw/zinc/75/62/56/809756256.db2.gz OKYKNSFCWQVEAF-IHWYPQMZSA-N 0 0 297.354 3.126 20 10 CGCDRN CC(C)CCOCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177537845 809807047 /nfs/dbraw/zinc/80/70/47/809807047.db2.gz ZNOFKMZIQHGXDX-UHFFFAOYSA-N 0 0 289.778 3.337 20 10 CGCDRN CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177855345 809826588 /nfs/dbraw/zinc/82/65/88/809826588.db2.gz SGFQQSCFOOYABT-NSHDSACASA-N 0 0 289.778 3.071 20 10 CGCDRN COc1cccc(C2CC2)c1N(CCO)c1ccc(N)cc1 ZINC001213816198 815335790 /nfs/dbraw/zinc/33/57/90/815335790.db2.gz GZMAKSOWNFFBBS-UHFFFAOYSA-N 0 0 298.386 3.285 20 10 CGCDRN CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001181808869 810073799 /nfs/dbraw/zinc/07/37/99/810073799.db2.gz RBOLZOOWJKWWLF-AAEUAGOBSA-N 0 0 253.773 3.427 20 10 CGCDRN Cc1c2cc[nH]c2ncc1NCc1cc(F)ccc1O ZINC001184410580 810198454 /nfs/dbraw/zinc/19/84/54/810198454.db2.gz JLYGGLOESYVZMR-UHFFFAOYSA-N 0 0 271.295 3.280 20 10 CGCDRN CC[C@H](C)CCC(=O)NCc1c(C)cc(C)cc1O ZINC001185582912 810278573 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/nfs/dbraw/zinc/05/98/62/938059862.db2.gz CQIGEZOQXCCENA-MRXNPFEDSA-N 0 0 298.377 3.426 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1 ZINC001531321084 938081302 /nfs/dbraw/zinc/08/13/02/938081302.db2.gz MHDKZKRQRLMHKA-GOEBONIOSA-N 0 0 288.435 3.441 20 10 CGCDRN CCCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(CC)cc1 ZINC001533456446 938090621 /nfs/dbraw/zinc/09/06/21/938090621.db2.gz RCIMYKMWCLGULJ-FLIBITNWSA-N 0 0 297.402 3.439 20 10 CGCDRN Cc1cccc2c1CCN2C(=O)/C=C/c1cccnc1C ZINC001536280578 938104357 /nfs/dbraw/zinc/10/43/57/938104357.db2.gz PWLYQZSAVJJRAR-CMDGGOBGSA-N 0 0 278.355 3.301 20 10 CGCDRN COc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)cc1 ZINC001538203221 938116133 /nfs/dbraw/zinc/11/61/33/938116133.db2.gz XKVQILVGEHVFRW-WTKPLQERSA-N 0 0 282.343 3.075 20 10 CGCDRN CSc1cccc(N(C)C(=O)c2cccc(O)c2O)c1 ZINC001545011852 938148175 /nfs/dbraw/zinc/14/81/75/938148175.db2.gz GZVIMPZUAHCAIK-UHFFFAOYSA-N 0 0 289.356 3.096 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCCc2cccc(O)c21 ZINC001547473097 938151199 /nfs/dbraw/zinc/15/11/99/938151199.db2.gz DQQOKQSRXKAELA-ACCUITESSA-N 0 0 294.354 3.170 20 10 CGCDRN Cc1ccc(C2CC2)c(C(=O)NCc2cccc(O)c2O)c1 ZINC001548791556 938152174 /nfs/dbraw/zinc/15/21/74/938152174.db2.gz QUSKUYJMABSHBP-UHFFFAOYSA-N 0 0 297.354 3.214 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc(O)c(C)c1 ZINC001557897602 938212363 /nfs/dbraw/zinc/21/23/63/938212363.db2.gz GOSKISOOCYXSFC-UKTHLTGXSA-N 0 0 282.343 3.162 20 10 CGCDRN CC[C@H](CN(CC1CC1)c1ccc(OC)cc1)OC ZINC001559847924 938237238 /nfs/dbraw/zinc/23/72/38/938237238.db2.gz FDEKBOCIGWYOSL-OAHLLOKOSA-N 0 0 263.381 3.337 20 10 CGCDRN Cc1ccc(OCC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001560255983 938249419 /nfs/dbraw/zinc/24/94/19/938249419.db2.gz TXTWGELIQQMKDV-UHFFFAOYSA-N 0 0 293.313 3.147 20 10 CGCDRN CC1(C)C[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C1CC1 ZINC001560868661 938280628 /nfs/dbraw/zinc/28/06/28/938280628.db2.gz LJPDLTDGMNHTAB-AWEZNQCLSA-N 0 0 267.319 3.291 20 10 CGCDRN C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC001561015814 938289669 /nfs/dbraw/zinc/28/96/69/938289669.db2.gz HZAFWWVUSRQLCL-JTNHKYCSSA-N 0 0 251.345 3.446 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1OCc2ccccc21 ZINC001561048729 938291462 /nfs/dbraw/zinc/29/14/62/938291462.db2.gz COLLNDAENUZFSH-INIZCTEOSA-N 0 0 291.297 3.032 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2F)c1 ZINC001562053781 938297721 /nfs/dbraw/zinc/29/77/21/938297721.db2.gz UOYIHKCDCZLCMR-UHFFFAOYSA-N 0 0 292.285 3.301 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)ccc1O ZINC001563543103 938303962 /nfs/dbraw/zinc/30/39/62/938303962.db2.gz PHZLXPNWGFGWHL-HIFRSBDPSA-N 0 0 290.407 3.469 20 10 CGCDRN C=C/C=C/CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC001563792266 938305071 /nfs/dbraw/zinc/30/50/71/938305071.db2.gz OGNFXOYCJOJQTQ-SNAWJCMRSA-N 0 0 299.418 3.001 20 10 CGCDRN Cc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001594361337 958452219 /nfs/dbraw/zinc/45/22/19/958452219.db2.gz PUOIXXOUYDKNQG-CVEARBPZSA-N 0 0 297.354 3.103 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCCCc2ccccc21 ZINC001565891634 960852462 /nfs/dbraw/zinc/85/24/62/960852462.db2.gz HUVXDYHCPUOREA-UHFFFAOYSA-N 0 0 297.354 3.471 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001566359924 960930188 /nfs/dbraw/zinc/93/01/88/960930188.db2.gz RVWSCRFXSFGEOP-MEYUZBJRSA-N 0 0 299.414 3.179 20 10 CGCDRN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c(O)c1O ZINC001570269912 961945355 /nfs/dbraw/zinc/94/53/55/961945355.db2.gz DYJQSQWREAGZOT-OLZOCXBDSA-N 0 0 291.391 3.351 20 10 CGCDRN Cc1cc(O)c(C[NH2+]Cc2cccc(N)c2)c(Cl)c1 ZINC001579637749 962646451 /nfs/dbraw/zinc/64/64/51/962646451.db2.gz APOAIXGHKFVPMV-UHFFFAOYSA-N 0 0 276.767 3.226 20 10 CGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)C(C)(C)C ZINC001593240703 994430946 /nfs/dbraw/zinc/43/09/46/994430946.db2.gz RNXUWHTVKRBSDK-QWRGUYRKSA-N 0 0 279.380 3.423 20 10 CGCDRN C[C@H]([NH2+]CC(C1CC1)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593246438 994451641 /nfs/dbraw/zinc/45/16/41/994451641.db2.gz LJJYCZFGBFMVOU-JTQLQIEISA-N 0 0 289.375 3.177 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593251870 994500664 /nfs/dbraw/zinc/50/06/64/994500664.db2.gz LJLJAZMIIMUXSK-VXGBXAGGSA-N 0 0 275.348 3.097 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccsc1)c1cc(C(=O)[O-])ccc1O ZINC001593310347 994772118 /nfs/dbraw/zinc/77/21/18/994772118.db2.gz HQGHURLDKZWRFX-SECBINFHSA-N 0 0 277.345 3.003 20 10 CGCDRN CN(C)c1ccc(CN(C)c2cccc(F)c2C#N)cc1 ZINC000007903659 344870535 /nfs/dbraw/zinc/87/05/35/344870535.db2.gz CUFOVYDCSJKDGI-UHFFFAOYSA-N 0 0 283.350 3.400 20 10 CGCDRN COc1cccc(CNc2cccc(F)c2C(C)=O)c1O ZINC000091479296 345815923 /nfs/dbraw/zinc/81/59/23/345815923.db2.gz AAAWLFQDMMZPFB-UHFFFAOYSA-N 0 0 289.306 3.355 20 10 CGCDRN Cc1ccc2ncnc(NCCc3ccc(O)c(O)c3)c2c1 ZINC000092665966 345851006 /nfs/dbraw/zinc/85/10/06/345851006.db2.gz DKDVUBPXOJXRHK-UHFFFAOYSA-N 0 0 295.342 3.004 20 10 CGCDRN COc1cccc(CNc2ccnc(Cl)c2)c1O ZINC000149124544 346130394 /nfs/dbraw/zinc/13/03/94/346130394.db2.gz JTKXNVWLKTUREA-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000287557649 371672990 /nfs/dbraw/zinc/67/29/90/371672990.db2.gz PZRSJQJZPDOXDM-ZOWXZIJZSA-N 0 0 281.371 3.245 20 10 CGCDRN Cc1conc1NCc1c(C)c2ccccc2n1C ZINC000287633735 371687276 /nfs/dbraw/zinc/68/72/76/371687276.db2.gz IVIPEASXXDIQGE-UHFFFAOYSA-N 0 0 255.321 3.395 20 10 CGCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287660896 371690869 /nfs/dbraw/zinc/69/08/69/371690869.db2.gz LSVGFRCSUMLVAS-BPNCWPANSA-N 0 0 285.815 3.493 20 10 CGCDRN Cc1ccoc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293893126 372514431 /nfs/dbraw/zinc/51/44/31/372514431.db2.gz ZFFCMORVNSGPOC-JTQLQIEISA-N 0 0 276.292 3.053 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(C1CCC1)C1CCC1 ZINC000293953706 372533747 /nfs/dbraw/zinc/53/37/47/372533747.db2.gz SKJKJFPIAJREHO-CSKARUKUSA-N 0 0 287.359 3.045 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000293989749 372547639 /nfs/dbraw/zinc/54/76/39/372547639.db2.gz RZMAORXWAKNIKK-UHFFFAOYSA-N 0 0 279.689 3.320 20 10 CGCDRN CC[C@@H](C)[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000294183902 372605578 /nfs/dbraw/zinc/60/55/78/372605578.db2.gz KIJXDSJHXZIWFO-MFKMUULPSA-N 0 0 271.788 3.196 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C(C)(F)F ZINC000294579799 372660591 /nfs/dbraw/zinc/66/05/91/372660591.db2.gz GVZRMLXNANGVFQ-UHFFFAOYSA-N 0 0 271.307 3.176 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)c1O ZINC000295243271 372716540 /nfs/dbraw/zinc/71/65/40/372716540.db2.gz LVMHIEOKOOUMAY-YNEHKIRRSA-N 0 0 291.391 3.089 20 10 CGCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCSC1 ZINC000295424483 372776795 /nfs/dbraw/zinc/77/67/95/372776795.db2.gz SMWNLTYLXZGYEX-VIFPVBQESA-N 0 0 275.776 3.122 20 10 CGCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000437869385 372859228 /nfs/dbraw/zinc/85/92/28/372859228.db2.gz RUTIQTXYSQSNFF-TZMCWYRMSA-N 0 0 285.391 3.084 20 10 CGCDRN C[C@@]1(F)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295998484 372988772 /nfs/dbraw/zinc/98/87/72/372988772.db2.gz KUMCWZKKNVNRKE-CYBMUJFWSA-N 0 0 257.736 3.370 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000296604021 373192679 /nfs/dbraw/zinc/19/26/79/373192679.db2.gz VVPPYQFRCZZLQB-OUJBWJOFSA-N 0 0 287.350 3.382 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC1(C)C ZINC000297598675 373276193 /nfs/dbraw/zinc/27/61/93/373276193.db2.gz VQDFGTRKLKEQDF-AWEZNQCLSA-N 0 0 290.407 3.360 20 10 CGCDRN COC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCCC1 ZINC000297159646 373259319 /nfs/dbraw/zinc/25/93/19/373259319.db2.gz CUERCUYEPANHPM-LLVKDONJSA-N 0 0 267.344 3.141 20 10 CGCDRN Cc1cnc(CC[N@@H+](C)Cc2cccc(C)c2O)s1 ZINC000180558089 374023238 /nfs/dbraw/zinc/02/32/38/374023238.db2.gz WZWWVJOJKMLTBC-UHFFFAOYSA-N 0 0 276.405 3.140 20 10 CGCDRN COc1cc(N(C)Cc2ccsc2)cc(OC)c1OC ZINC000180756411 374043141 /nfs/dbraw/zinc/04/31/41/374043141.db2.gz YOTYORNJXDLLMW-UHFFFAOYSA-N 0 0 293.388 3.410 20 10 CGCDRN CCN(CC)c1ccc(CNc2nnc(C3CC3)o2)cc1 ZINC000181516798 374134989 /nfs/dbraw/zinc/13/49/89/374134989.db2.gz ZNBZSMIHEALLRG-UHFFFAOYSA-N 0 0 286.379 3.405 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000182636859 374301984 /nfs/dbraw/zinc/30/19/84/374301984.db2.gz CGTKHRGULLDPQD-STQMWFEESA-N 0 0 262.397 3.051 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1=CCCCC1 ZINC000183468802 374418505 /nfs/dbraw/zinc/41/85/05/374418505.db2.gz PQJWAUISBUOMAA-GFCCVEGCSA-N 0 0 289.375 3.036 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185564419 374688573 /nfs/dbraw/zinc/68/85/73/374688573.db2.gz ZFHWHNUWTKVDRT-GHMZBOCLSA-N 0 0 269.360 3.386 20 10 CGCDRN COCCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187680550 375071302 /nfs/dbraw/zinc/07/13/02/375071302.db2.gz JGJSADQNPHSZNE-JTQLQIEISA-N 0 0 273.323 3.138 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187725192 375081136 /nfs/dbraw/zinc/08/11/36/375081136.db2.gz AXNRYBSWRURRMX-ZJUUUORDSA-N 0 0 287.350 3.118 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188264465 375186849 /nfs/dbraw/zinc/18/68/49/375186849.db2.gz ZUAGNBXNFFUHCP-OAHLLOKOSA-N 0 0 295.810 3.437 20 10 CGCDRN CC(C)OCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191184105 375592586 /nfs/dbraw/zinc/59/25/86/375592586.db2.gz KECZDZWVSYRYMR-SNVBAGLBSA-N 0 0 273.323 3.136 20 10 CGCDRN CC(C)(C)c1ncc2c(n1)CCN(Cc1ccccc1O)C2 ZINC000529642960 375931651 /nfs/dbraw/zinc/93/16/51/375931651.db2.gz PDFBFUGFYBXZHK-UHFFFAOYSA-N 0 0 297.402 3.038 20 10 CGCDRN CO[C@@H](C)c1nc(CNCc2cc(C)ccc2O)cs1 ZINC000267620011 378043119 /nfs/dbraw/zinc/04/31/19/378043119.db2.gz KQLITZYNGSNHEM-NSHDSACASA-N 0 0 292.404 3.154 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](CC)O1 ZINC000268311908 378052728 /nfs/dbraw/zinc/05/27/28/378052728.db2.gz ZMBOBAPOOBXQTA-HOCLYGCPSA-N 0 0 291.391 3.088 20 10 CGCDRN CCOc1ccccc1[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000269225536 378199114 /nfs/dbraw/zinc/19/91/14/378199114.db2.gz MGETWWXBLTWXIB-CYBMUJFWSA-N 0 0 298.386 3.087 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1ccncc1F ZINC000344168453 378162094 /nfs/dbraw/zinc/16/20/94/378162094.db2.gz FKIGCXGUFFXTKL-UHFFFAOYSA-N 0 0 269.323 3.055 20 10 CGCDRN Cc1ncsc1CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271146229 378463746 /nfs/dbraw/zinc/46/37/46/378463746.db2.gz HWGWZMITTKXDGZ-UHFFFAOYSA-N 0 0 293.411 3.289 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nnc(C)s2)cc1 ZINC000271487298 378495880 /nfs/dbraw/zinc/49/58/80/378495880.db2.gz YYJMEMMODCAMNY-UHFFFAOYSA-N 0 0 277.393 3.272 20 10 CGCDRN Cc1nc(C)c(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000271608796 378498809 /nfs/dbraw/zinc/49/88/09/378498809.db2.gz AQRWSNYHJBLECT-SECBINFHSA-N 0 0 262.378 3.316 20 10 CGCDRN CO[C@H](C)c1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000271724919 378502281 /nfs/dbraw/zinc/50/22/81/378502281.db2.gz YPTFSSRWHGDZIK-WDEREUQCSA-N 0 0 292.404 3.407 20 10 CGCDRN C[C@H](CCC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000273361148 378742501 /nfs/dbraw/zinc/74/25/01/378742501.db2.gz VXHFLQDTPNLLKQ-LLVKDONJSA-N 0 0 279.380 3.176 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)c(O)c1C ZINC000273390269 378743935 /nfs/dbraw/zinc/74/39/35/378743935.db2.gz KKTOMMKUAFIGRY-UONOGXRCSA-N 0 0 263.381 3.229 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c(O)c1C ZINC000273382752 378744026 /nfs/dbraw/zinc/74/40/26/378744026.db2.gz IPLWUSASIAAKMG-XJKSGUPXSA-N 0 0 299.418 3.471 20 10 CGCDRN CCC(CC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273405836 378746670 /nfs/dbraw/zinc/74/66/70/378746670.db2.gz OILMNZIEJDLFGY-VIFPVBQESA-N 0 0 252.314 3.140 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000371528748 379168272 /nfs/dbraw/zinc/16/82/72/379168272.db2.gz NVHOSFFFEAOFMR-UHFFFAOYSA-N 0 0 286.350 3.306 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000279173385 379413310 /nfs/dbraw/zinc/41/33/10/379413310.db2.gz UXBDQJLKBWNWPT-SNVBAGLBSA-N 0 0 296.392 3.237 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000375351099 379494284 /nfs/dbraw/zinc/49/42/84/379494284.db2.gz AGRZLGXDGWSWDW-LBPRGKRZSA-N 0 0 277.755 3.106 20 10 CGCDRN CC1(C)SC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000282949697 380015471 /nfs/dbraw/zinc/01/54/71/380015471.db2.gz HBSNKOLGVGBFBT-JTQLQIEISA-N 0 0 257.786 3.029 20 10 CGCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000285571675 380149719 /nfs/dbraw/zinc/14/97/19/380149719.db2.gz UGYABCYOMDSFTP-NSHDSACASA-N 0 0 291.345 3.277 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000286141262 380164976 /nfs/dbraw/zinc/16/49/76/380164976.db2.gz OYSCGIQKCIGEQP-DGCLKSJQSA-N 0 0 269.385 3.468 20 10 CGCDRN CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccc(F)cc1[O-] ZINC000285862988 380152969 /nfs/dbraw/zinc/15/29/69/380152969.db2.gz YLQJKSYFYPZNSS-OAHLLOKOSA-N 0 0 274.339 3.476 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000286022145 380158793 /nfs/dbraw/zinc/15/87/93/380158793.db2.gz IRWOXDAHJROAGO-ZFWWWQNUSA-N 0 0 283.387 3.369 20 10 CGCDRN CCc1nc(COc2ccc3c(c2)c(C)c(C)n3C)no1 ZINC000421198265 380869943 /nfs/dbraw/zinc/86/99/43/380869943.db2.gz LDHMVRXXIVRTQZ-UHFFFAOYSA-N 0 0 285.347 3.320 20 10 CGCDRN Oc1ccc2ccccc2c1CN1CCC[C@H]1c1ncon1 ZINC000360156032 381461400 /nfs/dbraw/zinc/46/14/00/381461400.db2.gz BKMMDAVEPVJAOW-HNNXBMFYSA-N 0 0 295.342 3.266 20 10 CGCDRN C[C@H](c1cccs1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732273148 572456912 /nfs/dbraw/zinc/45/69/12/572456912.db2.gz YQOHQWVBWWECSV-MRVPVSSYSA-N 0 0 267.375 3.348 20 10 CGCDRN Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)cc1 ZINC000365553876 382288828 /nfs/dbraw/zinc/28/88/28/382288828.db2.gz CFVWLTUFTQOQQS-HNNXBMFYSA-N 0 0 297.354 3.384 20 10 CGCDRN C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000108584866 392344221 /nfs/dbraw/zinc/34/42/21/392344221.db2.gz ZXXYCCYEXVDEQW-XBXGTLAGSA-N 0 0 276.380 3.112 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C)s2)cc1F ZINC000121772752 392416193 /nfs/dbraw/zinc/41/61/93/392416193.db2.gz SOQNSKSORJTATO-UHFFFAOYSA-N 0 0 266.341 3.236 20 10 CGCDRN Cc1cc(C(=O)N2CCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000173118596 392624720 /nfs/dbraw/zinc/62/47/20/392624720.db2.gz QWCOZIKTARSICH-GFCCVEGCSA-N 0 0 283.375 3.114 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncc(C)c1 ZINC000348664392 393127725 /nfs/dbraw/zinc/12/77/25/393127725.db2.gz WDZOVVQCMJKLKC-UHFFFAOYSA-N 0 0 293.370 3.120 20 10 CGCDRN CC(C)(C)Cc1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000743635194 572675691 /nfs/dbraw/zinc/67/56/91/572675691.db2.gz PLWSQWBGYNQNLR-UHFFFAOYSA-N 0 0 279.365 3.018 20 10 CGCDRN CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278257826 286846693 /nfs/dbraw/zinc/84/66/93/286846693.db2.gz NHLAVZUUWLJWSY-SFYZADRCSA-N 0 0 278.179 3.121 20 10 CGCDRN Oc1ccccc1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000084847093 260001576 /nfs/dbraw/zinc/00/15/76/260001576.db2.gz GCILCXMGLORUGW-SFHVURJKSA-N 0 0 296.414 3.319 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000180828853 260136915 /nfs/dbraw/zinc/13/69/15/260136915.db2.gz QSBAAQWLDFNLCS-STQMWFEESA-N 0 0 290.407 3.160 20 10 CGCDRN Cc1ccc(C(C)(C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000158920562 261174078 /nfs/dbraw/zinc/17/40/78/261174078.db2.gz POLOAOMFRJFFFU-UHFFFAOYSA-N 0 0 299.370 3.000 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2cc[nH]c2C)cc1 ZINC000175648825 261616820 /nfs/dbraw/zinc/61/68/20/261616820.db2.gz ANXONVFTKCAFDL-UHFFFAOYSA-N 0 0 285.391 3.099 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000184944370 262034899 /nfs/dbraw/zinc/03/48/99/262034899.db2.gz ZCTOPGDMRIIFDZ-SJCJKPOMSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185098874 262041283 /nfs/dbraw/zinc/04/12/83/262041283.db2.gz NMGPCTIGCZBYHU-YVEFUNNKSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000186124478 262080950 /nfs/dbraw/zinc/08/09/50/262080950.db2.gz RYZIBIODJNVHAE-YVEFUNNKSA-N 0 0 289.350 3.224 20 10 CGCDRN C[C@H](Nc1cnn(CC(F)F)c1)c1cc(F)ccc1O ZINC000186341919 262089263 /nfs/dbraw/zinc/08/92/63/262089263.db2.gz MSESOESOFRQVLZ-QMMMGPOBSA-N 0 0 285.269 3.166 20 10 CGCDRN COCCC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000183928768 262251921 /nfs/dbraw/zinc/25/19/21/262251921.db2.gz KTBBWYNTFTYVGO-LLVKDONJSA-N 0 0 269.360 3.245 20 10 CGCDRN C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000289756038 263111927 /nfs/dbraw/zinc/11/19/27/263111927.db2.gz QWBQZHVEABDHLM-JSGCOSHPSA-N 0 0 281.371 3.047 20 10 CGCDRN CC[C@H]([NH2+]CC1(C)COC1)c1cccc(Cl)c1[O-] ZINC000287797469 288037015 /nfs/dbraw/zinc/03/70/15/288037015.db2.gz TWQHHSIYSDLLFW-LBPRGKRZSA-N 0 0 269.772 3.123 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)CCCO)c1cccc(Cl)c1[O-] ZINC000287702052 288076933 /nfs/dbraw/zinc/07/69/33/288076933.db2.gz NRBDLXDJUAMVPN-MFKMUULPSA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cnccn1)CC[C@H]2C ZINC000297873164 281278466 /nfs/dbraw/zinc/27/84/66/281278466.db2.gz PBKOCKKBHGHRKI-KTRBRXNASA-N 0 0 293.370 3.339 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C\c1cnccn1)CC[C@H]2C ZINC000493590837 281278532 /nfs/dbraw/zinc/27/85/32/281278532.db2.gz PBKOCKKBHGHRKI-FMFIFOJESA-N 0 0 293.370 3.339 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccncc1 ZINC000255678476 327003831 /nfs/dbraw/zinc/00/38/31/327003831.db2.gz JDKVIKZSNVIBTA-XQRVVYSFSA-N 0 0 287.750 3.196 20 10 CGCDRN Nc1ccc(CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000261914035 327536009 /nfs/dbraw/zinc/53/60/09/327536009.db2.gz GPFXNTFKJDKHKX-UHFFFAOYSA-N 0 0 295.386 3.050 20 10 CGCDRN CCOc1cccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000152733012 327564592 /nfs/dbraw/zinc/56/45/92/327564592.db2.gz FXTJKBBMVDHCAT-CYBMUJFWSA-N 0 0 298.386 3.087 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]1C1CC1 ZINC000458724625 331257900 /nfs/dbraw/zinc/25/79/00/331257900.db2.gz BEIRHLGXIXVTIC-OAHLLOKOSA-N 0 0 297.402 3.181 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1 ZINC000491732047 332313576 /nfs/dbraw/zinc/31/35/76/332313576.db2.gz GOQKIXRARNQAOB-DGMVEKRQSA-N 0 0 298.317 3.048 20 10 CGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(C)nc1 ZINC000492476013 332399300 /nfs/dbraw/zinc/39/93/00/332399300.db2.gz ROTMEGHJZHOQML-VMPITWQZSA-N 0 0 294.354 3.001 20 10 CGCDRN CC(C)C[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000185424497 333140388 /nfs/dbraw/zinc/14/03/88/333140388.db2.gz XRAVIHJTSXMJAJ-ZDUSSCGKSA-N 0 0 290.407 3.160 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529650307 333503809 /nfs/dbraw/zinc/50/38/09/333503809.db2.gz YNEWDSQHKUXLQE-UHFFFAOYSA-N 0 0 277.751 3.313 20 10 CGCDRN CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1cccnc1 ZINC000080238012 334167977 /nfs/dbraw/zinc/16/79/77/334167977.db2.gz USSYXUOWFDXHBN-MDZDMXLPSA-N 0 0 291.354 3.250 20 10 CGCDRN CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000128687725 519436177 /nfs/dbraw/zinc/43/61/77/519436177.db2.gz MYXAZWAZXXBART-LBPRGKRZSA-N 0 0 298.386 3.192 20 10 CGCDRN CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236660682 519815403 /nfs/dbraw/zinc/81/54/03/519815403.db2.gz UFCRJQVPOYZJLU-SFHVURJKSA-N 0 0 296.414 3.367 20 10 CGCDRN CC(C)c1occc1C(=O)N(C)Cc1ccccc1O ZINC000280061520 519913370 /nfs/dbraw/zinc/91/33/70/519913370.db2.gz ORIPKNCGAKMYQP-UHFFFAOYSA-N 0 0 273.332 3.381 20 10 CGCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000291700912 520483017 /nfs/dbraw/zinc/48/30/17/520483017.db2.gz ZBEQVPBDGSRXIB-UKRRQHHQSA-N 0 0 295.810 3.435 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)SC ZINC000282594560 520546533 /nfs/dbraw/zinc/54/65/33/520546533.db2.gz XIHQGBBTKAYPSX-GFCCVEGCSA-N 0 0 281.421 3.272 20 10 CGCDRN CCCCN(Cc1ccccc1O)[C@@H](C)c1noc(C)n1 ZINC000289457453 520551011 /nfs/dbraw/zinc/55/10/11/520551011.db2.gz VKPFDHLJOALGNZ-LBPRGKRZSA-N 0 0 289.379 3.447 20 10 CGCDRN CCOc1ccc(O)c(CN2CCOCc3ccccc32)c1 ZINC000291694223 521147418 /nfs/dbraw/zinc/14/74/18/521147418.db2.gz YKGXGFMNGQFKBV-UHFFFAOYSA-N 0 0 299.370 3.328 20 10 CGCDRN CCCC[C@H](CC)CC(=O)NCc1ccc(N)cc1 ZINC000297239734 521166253 /nfs/dbraw/zinc/16/62/53/521166253.db2.gz PQTOHVLYJXXSPS-ZDUSSCGKSA-N 0 0 262.397 3.492 20 10 CGCDRN CCN(Cc1ccc(F)cn1)c1ccc(OC)c(OC)c1 ZINC000276226744 521314997 /nfs/dbraw/zinc/31/49/97/521314997.db2.gz MQJPKWODCYVTEL-UHFFFAOYSA-N 0 0 290.338 3.264 20 10 CGCDRN CCCc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000236913622 521391712 /nfs/dbraw/zinc/39/17/12/521391712.db2.gz UKLPQHBPPSEGGI-UHFFFAOYSA-N 0 0 282.387 3.194 20 10 CGCDRN CCS[C@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000263886755 521728170 /nfs/dbraw/zinc/72/81/70/521728170.db2.gz LLBBCEMTVNOQLK-HNNXBMFYSA-N 0 0 294.464 3.147 20 10 CGCDRN CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1O ZINC000267411806 523058052 /nfs/dbraw/zinc/05/80/52/523058052.db2.gz VBFLJAVYXMQQSS-MRXNPFEDSA-N 0 0 299.370 3.174 20 10 CGCDRN COC(=O)[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC000265423528 523928805 /nfs/dbraw/zinc/92/88/05/523928805.db2.gz QCOGLVKIGOVLLC-QGZVFWFLSA-N 0 0 299.370 3.008 20 10 CGCDRN CCc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000037016504 524043673 /nfs/dbraw/zinc/04/36/73/524043673.db2.gz ALBFBWGYDAWCRN-ZDUSSCGKSA-N 0 0 282.387 3.251 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ncn2)cc1Cl ZINC000292357260 524352598 /nfs/dbraw/zinc/35/25/98/524352598.db2.gz FHTDKPYDPHTOBU-UHFFFAOYSA-N 0 0 277.755 3.083 20 10 CGCDRN Cc1ccc([C@H](C)Nc2ccc(CCO)cc2)c(O)c1 ZINC000040738437 525948235 /nfs/dbraw/zinc/94/82/35/525948235.db2.gz JKELCPUNUDPAKU-ZDUSSCGKSA-N 0 0 271.360 3.409 20 10 CGCDRN Cc1cc(C(=O)NC2(C)CCC2)c(C)n1-c1ccccn1 ZINC000125973013 526263888 /nfs/dbraw/zinc/26/38/88/526263888.db2.gz AGNPIIPVCAWHCJ-UHFFFAOYSA-N 0 0 283.375 3.162 20 10 CGCDRN Oc1ccccc1CNCc1ncc(C(F)(F)F)s1 ZINC000278542527 526374794 /nfs/dbraw/zinc/37/47/94/526374794.db2.gz AGBJQNPGSNZSDV-UHFFFAOYSA-N 0 0 288.294 3.157 20 10 CGCDRN Cc1nc(CCOc2ccc(N(C)C)cc2)cs1 ZINC000289481018 526830379 /nfs/dbraw/zinc/83/03/79/526830379.db2.gz XYJBMTXDWIETIZ-UHFFFAOYSA-N 0 0 262.378 3.139 20 10 CGCDRN CCCc1nnc(NCc2ccc(N(C)C)cc2C)s1 ZINC000301664538 528776138 /nfs/dbraw/zinc/77/61/38/528776138.db2.gz LMGNTROSMQDCHV-UHFFFAOYSA-N 0 0 290.436 3.477 20 10 CGCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1cccnc1C ZINC000493091734 535657454 /nfs/dbraw/zinc/65/74/54/535657454.db2.gz WUPPBJMCKLWKRY-FPLPWBNLSA-N 0 0 281.359 3.160 20 10 CGCDRN Cc1ccc(C(=O)O[C@H](C)c2ccccc2F)c(O)c1O ZINC000727004778 571700449 /nfs/dbraw/zinc/70/04/49/571700449.db2.gz TVNCMJISHLQNAR-SNVBAGLBSA-N 0 0 290.290 3.463 20 10 CGCDRN C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C[C@@H](C)C1 ZINC000740074069 571684171 /nfs/dbraw/zinc/68/41/71/571684171.db2.gz WGPFOJLWTZQVPQ-IMRBUKKESA-N 0 0 276.380 3.016 20 10 CGCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000728748160 571816693 /nfs/dbraw/zinc/81/66/93/571816693.db2.gz QPRXKGYNPAOLHL-HUUCEWRRSA-N 0 0 290.407 3.406 20 10 CGCDRN Cc1cc(C(=O)OCC2CC2)c(C)n1-c1ccccn1 ZINC000728764059 571817914 /nfs/dbraw/zinc/81/79/14/571817914.db2.gz APZGUFXUOACDQY-UHFFFAOYSA-N 0 0 270.332 3.056 20 10 CGCDRN CCOc1ccc(N(CC)CC(=O)c2cccn2C)cc1 ZINC000728918276 571847906 /nfs/dbraw/zinc/84/79/06/571847906.db2.gz ULBQDNVBOIWAHL-UHFFFAOYSA-N 0 0 286.375 3.133 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(C)c2)c1 ZINC000728978434 571851950 /nfs/dbraw/zinc/85/19/50/571851950.db2.gz HKSCXDIMJGPFHT-ZDUSSCGKSA-N 0 0 299.370 3.129 20 10 CGCDRN C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)n1cccc1 ZINC000729258949 571892359 /nfs/dbraw/zinc/89/23/59/571892359.db2.gz CMQLUQMGHNIPAB-OAHLLOKOSA-N 0 0 299.418 3.164 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncccc2C)cc1F ZINC000729646234 571927124 /nfs/dbraw/zinc/92/71/24/571927124.db2.gz WPFACYDXIDXCRH-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN COc1cccc(CNC(=O)C[C@@H]2CCCC[C@H]2C)c1O ZINC000729860031 571934323 /nfs/dbraw/zinc/93/43/23/571934323.db2.gz PZMASDJLPKBNSR-OLZOCXBDSA-N 0 0 291.391 3.233 20 10 CGCDRN CN1C(=O)/C(=C/c2ccccc2C2CC2)SC1=S ZINC000750817253 572328718 /nfs/dbraw/zinc/32/87/18/572328718.db2.gz LNHLRDVSZHNKLN-WQLSENKSSA-N 0 0 275.398 3.395 20 10 CGCDRN CC[C@@H](c1ccncc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000738545371 572378199 /nfs/dbraw/zinc/37/81/99/572378199.db2.gz FVZBSPKIYYQVHR-LBPRGKRZSA-N 0 0 276.361 3.072 20 10 CGCDRN CCCCCCNC(=O)CN(C)c1ccc(OCC)cc1 ZINC000739924758 572426972 /nfs/dbraw/zinc/42/69/72/572426972.db2.gz XKMWPTIXTMCVLS-UHFFFAOYSA-N 0 0 292.423 3.218 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CGCDRN O=C(NCC1(c2ccc(F)cc2)CC1)C1=CC(=O)CS1 ZINC000732273100 572456812 /nfs/dbraw/zinc/45/68/12/572456812.db2.gz WPFQZQOLFMRWMK-UHFFFAOYSA-N 0 0 291.347 3.054 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](c2ccccc2)C1 ZINC000732279519 572458399 /nfs/dbraw/zinc/45/83/99/572458399.db2.gz SNNVDUJMSHEEDN-LBPRGKRZSA-N 0 0 273.357 3.083 20 10 CGCDRN CN1C(=O)/C(=C/c2nccc3ccccc23)SC1=S ZINC000740942411 572469447 /nfs/dbraw/zinc/46/94/47/572469447.db2.gz DYGHUYWWWZLYHM-WQLSENKSSA-N 0 0 286.381 3.066 20 10 CGCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000741664187 572517645 /nfs/dbraw/zinc/51/76/45/572517645.db2.gz AGYHGMRFJYTPEY-ZDUSSCGKSA-N 0 0 286.375 3.108 20 10 CGCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000726236599 572567631 /nfs/dbraw/zinc/56/76/31/572567631.db2.gz GBCYZFQWLQPELT-CHWSQXEVSA-N 0 0 276.380 3.018 20 10 CGCDRN c1csc(SCc2cn(-c3ccccc3)nn2)n1 ZINC000726743062 572594770 /nfs/dbraw/zinc/59/47/70/572594770.db2.gz ZGJDVGIMRKDJJD-UHFFFAOYSA-N 0 0 274.374 3.016 20 10 CGCDRN 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O=C(/C=C\c1cncc(F)c1)N1CC2(CC2)c2ccccc21 ZINC000255092764 617920781 /nfs/dbraw/zinc/92/07/81/617920781.db2.gz AOMLIDHQKSTNHD-WAYWQWQTSA-N 0 0 294.329 3.312 20 10 CGCDRN COc1ccc(N(CC#N)Cc2ccccc2)cc1 ZINC000035823115 617946768 /nfs/dbraw/zinc/94/67/68/617946768.db2.gz VSMNAKJJBHBYBL-UHFFFAOYSA-N 0 0 252.317 3.225 20 10 CGCDRN Oc1ccccc1CNc1ccc(C(F)(F)F)cn1 ZINC000083496695 618009746 /nfs/dbraw/zinc/00/97/46/618009746.db2.gz VPQZHVZCBJWDEK-UHFFFAOYSA-N 0 0 268.238 3.418 20 10 CGCDRN CN1C(=O)/C(=C\c2cccc(Cl)c2F)SC1=S ZINC000255190915 618050173 /nfs/dbraw/zinc/05/01/73/618050173.db2.gz GLOPUGBNYMYPRB-VMPITWQZSA-N 0 0 287.768 3.310 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000245689730 618166326 /nfs/dbraw/zinc/16/63/26/618166326.db2.gz AQBPSBYJGNQYFP-UWVGGRQHSA-N 0 0 284.197 3.385 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCCc1cccs1 ZINC000077258264 618222560 /nfs/dbraw/zinc/22/25/60/618222560.db2.gz BOZBEVPCHBMGSO-UHFFFAOYSA-N 0 0 289.400 3.435 20 10 CGCDRN CN1Cc2c(cccc2N[C@@H]2CCc3cccc(O)c32)C1=O ZINC000840853223 618678494 /nfs/dbraw/zinc/67/84/94/618678494.db2.gz OOPFWWXSKCQONA-OAHLLOKOSA-N 0 0 294.354 3.077 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000176774670 618705560 /nfs/dbraw/zinc/70/55/60/618705560.db2.gz MLGRIEVEVWAIBJ-DLBZAZTESA-N 0 0 286.419 3.195 20 10 CGCDRN C[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396816 618714428 /nfs/dbraw/zinc/71/44/28/618714428.db2.gz HAAVTEAWNTZQER-WMLDXEAASA-N 0 0 286.419 3.291 20 10 CGCDRN CN1CCc2cc(/C=C3\N=C(C(C)(C)C)OC3=O)ccc21 ZINC000255840249 618798060 /nfs/dbraw/zinc/79/80/60/618798060.db2.gz FIKWDVXKPSDZHX-RAXLEYEMSA-N 0 0 284.359 3.021 20 10 CGCDRN Cc1cccnc1NCc1ccc(N(C)C)cc1C ZINC000840879964 618811482 /nfs/dbraw/zinc/81/14/82/618811482.db2.gz RTVARSIQVPSVHJ-UHFFFAOYSA-N 0 0 255.365 3.377 20 10 CGCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C\c1cccnc1 ZINC000255892486 618865184 /nfs/dbraw/zinc/86/51/84/618865184.db2.gz JDATXESZJMYIDW-QPBFKRLHSA-N 0 0 294.354 3.217 20 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Cc1ccc2cccc(NC(=O)c3cccc(O)c3O)c2n1 ZINC000184772933 619222065 /nfs/dbraw/zinc/22/20/65/619222065.db2.gz JVRWVBVCWNWBTF-UHFFFAOYSA-N 0 0 294.310 3.207 20 10 CGCDRN CC(C)C[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893802885 619319843 /nfs/dbraw/zinc/31/98/43/619319843.db2.gz LRYCPBDXFXVWIJ-JTQLQIEISA-N 0 0 284.787 3.279 20 10 CGCDRN C[C@H](c1ccco1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893932214 619335577 /nfs/dbraw/zinc/33/55/77/619335577.db2.gz ZGCNLFJQQKOFOB-SECBINFHSA-N 0 0 267.275 3.456 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000894375668 619509482 /nfs/dbraw/zinc/50/94/82/619509482.db2.gz UGTCOBULFCDTSZ-OAHLLOKOSA-N 0 0 297.345 3.061 20 10 CGCDRN COc1cccc(NNC(=S)Nc2ccccc2F)c1 ZINC000018167668 619521275 /nfs/dbraw/zinc/52/12/75/619521275.db2.gz XFNXRQDYQUWJHD-UHFFFAOYSA-N 0 0 291.351 3.148 20 10 CGCDRN Cc1cccc2nc(C[NH2+][C@@H](C)c3cc(F)ccc3O)cn21 ZINC000185412855 625356647 /nfs/dbraw/zinc/35/66/47/625356647.db2.gz GHQSMGIAGYIRMK-LBPRGKRZSA-N 0 0 299.349 3.338 20 10 CGCDRN CCN(CC(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895664862 619867090 /nfs/dbraw/zinc/86/70/90/619867090.db2.gz BMQVYPGRMIOQNU-UHFFFAOYSA-N 0 0 293.388 3.431 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000895764719 619882054 /nfs/dbraw/zinc/88/20/54/619882054.db2.gz HVJKCZCQZGYOHL-UHFFFAOYSA-N 0 0 296.729 3.340 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845684 619893800 /nfs/dbraw/zinc/89/38/00/619893800.db2.gz HWNISKVQDZUGFF-BXUZGUMPSA-N 0 0 281.783 3.047 20 10 CGCDRN CC1(C)C[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896328725 619995162 /nfs/dbraw/zinc/99/51/62/619995162.db2.gz SGXUGSNQIHGCSG-VIFPVBQESA-N 0 0 291.372 3.088 20 10 CGCDRN COCC(C)(C)c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000896576686 620029182 /nfs/dbraw/zinc/02/91/82/620029182.db2.gz YQZYDFHUKHCMQW-UHFFFAOYSA-N 0 0 297.358 3.451 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN[C@H](c1ncccn1)C1CC1 ZINC000896598207 620034840 /nfs/dbraw/zinc/03/48/40/620034840.db2.gz FKWPJMDUERBQIY-KRWDZBQOSA-N 0 0 296.418 3.092 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CCn3cccc3C2)cc1 ZINC000896761448 620057663 /nfs/dbraw/zinc/05/76/63/620057663.db2.gz ORBRWISAWLDNHL-HYXAFXHYSA-N 0 0 281.403 3.083 20 10 CGCDRN COc1ccc(O)c(CNc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000897114083 620148097 /nfs/dbraw/zinc/14/80/97/620148097.db2.gz JIZJERMWZPBLSJ-NSHDSACASA-N 0 0 285.343 3.336 20 10 CGCDRN O=C(CSc1ccccc1)c1ccc(O)c(O)c1 ZINC000034980045 620210481 /nfs/dbraw/zinc/21/04/81/620210481.db2.gz DGKAVBVRUVUCED-UHFFFAOYSA-N 0 0 260.314 3.073 20 10 CGCDRN O=C1[C@H](Sc2ncc(Cl)s2)CCN1C1CCC1 ZINC000865372291 620395639 /nfs/dbraw/zinc/39/56/39/620395639.db2.gz OSXXXGTVHQOFMS-MRVPVSSYSA-N 0 0 288.825 3.042 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCCOCC1CCC1 ZINC000842034209 620400641 /nfs/dbraw/zinc/40/06/41/620400641.db2.gz RCHOMLYCJCERCL-UHFFFAOYSA-N 0 0 275.392 3.482 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCOC23CCCCC3)ccc(F)c1F ZINC000897727060 620421048 /nfs/dbraw/zinc/42/10/48/620421048.db2.gz GOWNEYNKEIHHIE-ZDUSSCGKSA-N 0 0 297.345 3.252 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897952885 620453943 /nfs/dbraw/zinc/45/39/43/620453943.db2.gz KTSCJMULTUGNLD-UFGOTCBOSA-N 0 0 296.208 3.433 20 10 CGCDRN CC[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000898218359 620488827 /nfs/dbraw/zinc/48/88/27/620488827.db2.gz FRCLUPJRMOKOGE-YPMHNXCESA-N 0 0 283.799 3.340 20 10 CGCDRN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000898223539 620498711 /nfs/dbraw/zinc/49/87/11/620498711.db2.gz YCSKPRPEBFZPCC-BXKDBHETSA-N 0 0 253.292 3.115 20 10 CGCDRN C[C@@H](NC(=O)C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1O ZINC000899181906 620623851 /nfs/dbraw/zinc/62/38/51/620623851.db2.gz OFULFBCZCYTWKI-ODWCKFRGSA-N 0 0 291.416 3.244 20 10 CGCDRN C[C@@H](NCc1nc2c(s1)CCC2)c1c(O)cccc1F ZINC000903191365 621628928 /nfs/dbraw/zinc/62/89/28/621628928.db2.gz VADJMIZTMRKVMP-SECBINFHSA-N 0 0 292.379 3.327 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1c([O-])cccc1F ZINC000903255303 621643501 /nfs/dbraw/zinc/64/35/01/621643501.db2.gz 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/nfs/dbraw/zinc/20/75/28/627207528.db2.gz KBRNGANBGNMGET-YFHOEESVSA-N 0 0 269.348 3.199 20 10 CGCDRN COc1cccc(O)c1CN1CCc2c1cccc2F ZINC000764678997 627218251 /nfs/dbraw/zinc/21/82/51/627218251.db2.gz XGYVCJPXBGYWLZ-UHFFFAOYSA-N 0 0 273.307 3.103 20 10 CGCDRN COc1ccc(N(C)CCCc2ccncc2)cc1F ZINC000764974959 627234907 /nfs/dbraw/zinc/23/49/07/627234907.db2.gz KWFZOKOMMNKVMD-UHFFFAOYSA-N 0 0 274.339 3.298 20 10 CGCDRN COc1cccc(CNc2nc(C)ccc2Cl)c1O ZINC000765030794 627237107 /nfs/dbraw/zinc/23/71/07/627237107.db2.gz ISCBYFKMNJLGFV-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN C[C@H]([NH2+]CCOCC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000765808310 627272427 /nfs/dbraw/zinc/27/24/27/627272427.db2.gz JDBPGDRRHWKHBM-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CCn1nc(C)cc1C ZINC000766267290 627307686 /nfs/dbraw/zinc/30/76/86/627307686.db2.gz AXTDPBOJPWFALL-UHFFFAOYSA-N 0 0 299.418 3.351 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)no1 ZINC000766268926 627308550 /nfs/dbraw/zinc/30/85/50/627308550.db2.gz HOWFEXZFJVJNQP-UHFFFAOYSA-N 0 0 272.348 3.335 20 10 CGCDRN COCCCCN1CCCCc2cc(OC)ccc21 ZINC000766269999 627308737 /nfs/dbraw/zinc/30/87/37/627308737.db2.gz NMSCHVMHDCKWJD-UHFFFAOYSA-N 0 0 263.381 3.265 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(F)c1F ZINC000767157652 627386531 /nfs/dbraw/zinc/38/65/31/627386531.db2.gz VBGPORCEGSOEKY-ZETCQYMHSA-N 0 0 283.299 3.223 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cc(C)oc1C ZINC000768130714 627461854 /nfs/dbraw/zinc/46/18/54/627461854.db2.gz UOUYGGHOHVJRDE-UHFFFAOYSA-N 0 0 257.333 3.468 20 10 CGCDRN CCOc1cccc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000769404527 627549404 /nfs/dbraw/zinc/54/94/04/627549404.db2.gz BTPLOEXBVQNVQT-UHFFFAOYSA-N 0 0 289.354 3.298 20 10 CGCDRN COc1cccc(O)c1C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000769451193 627554442 /nfs/dbraw/zinc/55/44/42/627554442.db2.gz JDIZWOLCRYQCHR-OLZOCXBDSA-N 0 0 263.381 3.411 20 10 CGCDRN O=C(C1=CC(=O)CS1)N(CCc1ccccc1)C1CC1 ZINC000771051208 627679022 /nfs/dbraw/zinc/67/90/22/627679022.db2.gz VKYAQUPOFBFOFO-UHFFFAOYSA-N 0 0 287.384 3.301 20 10 CGCDRN CCC(CC)n1ccc(COC(=O)C2=CC(=O)CS2)n1 ZINC000771360879 627703351 /nfs/dbraw/zinc/70/33/51/627703351.db2.gz KETKYKHYUJEPEL-UHFFFAOYSA-N 0 0 294.376 3.368 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cccc(OC)c1OC ZINC000772598255 627805623 /nfs/dbraw/zinc/80/56/23/627805623.db2.gz JZKOCIONPOYRKC-UHFFFAOYSA-N 0 0 299.370 3.275 20 10 CGCDRN C[C@H](NC(=O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000772995341 627839027 /nfs/dbraw/zinc/83/90/27/627839027.db2.gz AKNKJHXAYHZLQD-NSHDSACASA-N 0 0 274.389 3.305 20 10 CGCDRN C[C@H](NC(=O)C1(C)CCC1)c1ccc(N(C)C)cc1 ZINC000773016715 627843294 /nfs/dbraw/zinc/84/32/94/627843294.db2.gz ARYCGCYMBSLGNA-LBPRGKRZSA-N 0 0 260.381 3.120 20 10 CGCDRN COc1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018731 627843397 /nfs/dbraw/zinc/84/33/97/627843397.db2.gz XCPFBCSCDFXOID-ZDUSSCGKSA-N 0 0 298.386 3.252 20 10 CGCDRN C/C(=C/c1ccc(N(C)C)c(F)c1)c1cnccn1 ZINC000774133845 627949021 /nfs/dbraw/zinc/94/90/21/627949021.db2.gz HRWXJEVTEFDRIX-FLIBITNWSA-N 0 0 257.312 3.242 20 10 CGCDRN CCc1nnc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000774481868 627997170 /nfs/dbraw/zinc/99/71/70/627997170.db2.gz ILJNCDATHSAWDF-VXGBXAGGSA-N 0 0 288.395 3.110 20 10 CGCDRN COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1O ZINC000774524432 628001444 /nfs/dbraw/zinc/00/14/44/628001444.db2.gz SVRXRSMEBBBLII-UHFFFAOYSA-N 0 0 288.303 3.059 20 10 CGCDRN COc1c([O-])c(C[N@H+](C(C)C)C2CCC2)ccc1[N+](=O)[O-] ZINC000774904199 628048451 /nfs/dbraw/zinc/04/84/51/628048451.db2.gz QDVZMUVIXLIWQE-UHFFFAOYSA-N 0 0 294.351 3.072 20 10 CGCDRN Cc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1O ZINC000775407316 628091484 /nfs/dbraw/zinc/09/14/84/628091484.db2.gz SBSFBSVKLRHTOX-CYBMUJFWSA-N 0 0 298.386 3.258 20 10 CGCDRN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775736724 628130829 /nfs/dbraw/zinc/13/08/29/628130829.db2.gz IVOHHIQOTBEROK-DTWKUNHWSA-N 0 0 257.736 3.415 20 10 CGCDRN Cc1cc(C(=O)N2CC[C@@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000775900592 628147622 /nfs/dbraw/zinc/14/76/22/628147622.db2.gz QNVKPAOBCPRAIM-MRXNPFEDSA-N 0 0 297.402 3.360 20 10 CGCDRN COc1cccc(O)c1CNc1cc(F)c(OC)cc1C ZINC000775990619 628155976 /nfs/dbraw/zinc/15/59/76/628155976.db2.gz WOMPFHLZRZISQO-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN C[C@@H](NC(=O)NC1(C)CCCC1)c1ccc(N(C)C)cc1 ZINC000776133354 628171000 /nfs/dbraw/zinc/17/10/00/628171000.db2.gz YKYBXZFMFUUWCO-CYBMUJFWSA-N 0 0 289.423 3.446 20 10 CGCDRN C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776222733 628182249 /nfs/dbraw/zinc/18/22/49/628182249.db2.gz SFDXWEGFYLHAJD-JTQLQIEISA-N 0 0 294.757 3.301 20 10 CGCDRN Cc1ccc([C@H](NC(=O)c2cccc(O)c2O)C2CC2)cc1 ZINC000776328225 628194054 /nfs/dbraw/zinc/19/40/54/628194054.db2.gz ZYEKYJAYBNUUSW-INIZCTEOSA-N 0 0 297.354 3.287 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000776478061 628213836 /nfs/dbraw/zinc/21/38/36/628213836.db2.gz AVESWLNHYKHFLL-TZMCWYRMSA-N 0 0 287.403 3.323 20 10 CGCDRN COc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000777200858 628255682 /nfs/dbraw/zinc/25/56/82/628255682.db2.gz RARAPBAYHUNPEL-GFCCVEGCSA-N 0 0 271.364 3.329 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCCOc3ccccc32)c1 ZINC000779450859 628413649 /nfs/dbraw/zinc/41/36/49/628413649.db2.gz FKXMYRFARYSZAZ-BQYQJAHWSA-N 0 0 294.354 3.219 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC1CCCCC1 ZINC000779500606 628415587 /nfs/dbraw/zinc/41/55/87/628415587.db2.gz RMCHUAZJPKJDMU-CLFYSBASSA-N 0 0 289.375 3.198 20 10 CGCDRN CC/C(C)=C(\C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000779951761 628445214 /nfs/dbraw/zinc/44/52/14/628445214.db2.gz STNFVZINDKKTCA-WYMLVPIESA-N 0 0 274.408 3.424 20 10 CGCDRN COc1ccc(N(C)Cc2ccc3c(c2)ncn3C)cc1F ZINC000780779422 628516893 /nfs/dbraw/zinc/51/68/93/628516893.db2.gz CUDIHRZZWRLCGQ-UHFFFAOYSA-N 0 0 299.349 3.357 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)c1cccc(C)c1 ZINC000780884404 628522087 /nfs/dbraw/zinc/52/20/87/628522087.db2.gz APUZYAAZFLHOQF-UHFFFAOYSA-N 0 0 285.343 3.381 20 10 CGCDRN CCOc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)c(O)c1 ZINC000781641965 628581748 /nfs/dbraw/zinc/58/17/48/628581748.db2.gz MUDQEWJZFKERET-NSHDSACASA-N 0 0 290.338 3.176 20 10 CGCDRN CC(C)CC[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874985152 634667948 /nfs/dbraw/zinc/66/79/48/634667948.db2.gz CFWGOPKCHLARKM-GFCCVEGCSA-N 0 0 276.380 3.242 20 10 CGCDRN O=C(NCCCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000874987041 634669382 /nfs/dbraw/zinc/66/93/82/634669382.db2.gz ZYSXZOLOHYHICE-UHFFFAOYSA-N 0 0 296.370 3.050 20 10 CGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H]2CCCC[C@@H]21 ZINC000782877807 628665177 /nfs/dbraw/zinc/66/51/77/628665177.db2.gz HELUKANCWKWVQV-YUSALJHKSA-N 0 0 265.378 3.104 20 10 CGCDRN CCOC(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000783720210 628743515 /nfs/dbraw/zinc/74/35/15/628743515.db2.gz CTGRGBWFOQMDBE-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C(C)C ZINC000784109761 628780458 /nfs/dbraw/zinc/78/04/58/628780458.db2.gz ZVRAGUZMZKMING-UHFFFAOYSA-N 0 0 276.424 3.359 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)C(C)C ZINC000784364716 628809808 /nfs/dbraw/zinc/80/98/08/628809808.db2.gz HPFZWUBXSDCXQO-OAHLLOKOSA-N 0 0 280.387 3.095 20 10 CGCDRN CC[C@H]([NH2+]CCC[C@H](C)CO)c1cccc(Cl)c1[O-] ZINC000806149615 628855559 /nfs/dbraw/zinc/85/55/59/628855559.db2.gz GMJGLADRFPWLCT-FZMZJTMJSA-N 0 0 285.815 3.495 20 10 CGCDRN CC[C@H](NCc1cc(C)c(C)cc1O)C(F)(F)F ZINC000786838040 628966928 /nfs/dbraw/zinc/96/69/28/628966928.db2.gz YFWJJDAKPQMPPE-LBPRGKRZSA-N 0 0 261.287 3.440 20 10 CGCDRN Oc1ccccc1CN(Cc1cocn1)Cc1ccco1 ZINC000788443604 629053124 /nfs/dbraw/zinc/05/31/24/629053124.db2.gz PWHNIZLPBQTWJS-UHFFFAOYSA-N 0 0 284.315 3.176 20 10 CGCDRN Cc1cc(C(=O)N2CCCCCO2)c(C)n1-c1ccccn1 ZINC000788569174 629065670 /nfs/dbraw/zinc/06/56/70/629065670.db2.gz BRSLWSBCYHROJD-UHFFFAOYSA-N 0 0 299.374 3.047 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C)N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788590339 629066755 /nfs/dbraw/zinc/06/67/55/629066755.db2.gz VMCRROFKBQMWOQ-UWVGGRQHSA-N 0 0 290.329 3.012 20 10 CGCDRN Oc1ccc(F)cc1CNCC(F)(F)c1ccccc1 ZINC000789581731 629146814 /nfs/dbraw/zinc/14/68/14/629146814.db2.gz SZYWVLVPSWNGFP-UHFFFAOYSA-N 0 0 281.277 3.413 20 10 CGCDRN O=C1/C(=C/c2cocn2)SC(=S)N1c1ccccc1 ZINC000790208289 629194438 /nfs/dbraw/zinc/19/44/38/629194438.db2.gz GKSNKMKIDSMUJF-WDZFZDKYSA-N 0 0 288.353 3.080 20 10 CGCDRN CO[C@H]1CCOc2c(NCc3ccccc3O)cccc21 ZINC000790486441 629212690 /nfs/dbraw/zinc/21/26/90/629212690.db2.gz OMKJEKVMFVVJSI-INIZCTEOSA-N 0 0 285.343 3.474 20 10 CGCDRN CC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000790912875 629240659 /nfs/dbraw/zinc/24/06/59/629240659.db2.gz IWBOUBFMVZYZMD-OLZOCXBDSA-N 0 0 262.397 3.366 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1O ZINC000790955254 629242554 /nfs/dbraw/zinc/24/25/54/629242554.db2.gz PGHXFZYHNINFNP-UHFFFAOYSA-N 0 0 281.714 3.180 20 10 CGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC(C)C3)c2C)cc1 ZINC000791245352 629262547 /nfs/dbraw/zinc/26/25/47/629262547.db2.gz LUMGMTFHUPRITI-UHFFFAOYSA-N 0 0 298.386 3.195 20 10 CGCDRN CCN(C)C(=O)c1cccc(NCc2ccccc2O)c1 ZINC000808424053 629269283 /nfs/dbraw/zinc/26/92/83/629269283.db2.gz OPMDDNWJLSVPLW-UHFFFAOYSA-N 0 0 284.359 3.096 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2[C@@H](C)C[C@@H]2C)cc1 ZINC000792038665 629332228 /nfs/dbraw/zinc/33/22/28/629332228.db2.gz DLXMVGVTVBEWSH-KBPBESRZSA-N 0 0 289.423 3.225 20 10 CGCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792166872 629342733 /nfs/dbraw/zinc/34/27/33/629342733.db2.gz UVEWYSSFBCZNIK-RKDXNWHRSA-N 0 0 257.736 3.415 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C)c(C)[nH]1 ZINC000862370016 629355267 /nfs/dbraw/zinc/35/52/67/629355267.db2.gz ATKMAQZJRPLWGU-UHFFFAOYSA-N 0 0 285.391 3.378 20 10 CGCDRN C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000862415459 629368045 /nfs/dbraw/zinc/36/80/45/629368045.db2.gz DAJSKEFDNCTYEW-NEPJUHHUSA-N 0 0 298.377 3.030 20 10 CGCDRN Cc1cc(N(C)C)ccc1Cn1cnc2c1CCCC2 ZINC000862431578 629371169 /nfs/dbraw/zinc/37/11/69/629371169.db2.gz KVNOYJIDBQSIJR-UHFFFAOYSA-N 0 0 269.392 3.185 20 10 CGCDRN COc1cccc2c1CN(Cc1cccc(F)c1O)C2 ZINC000862529479 629391686 /nfs/dbraw/zinc/39/16/86/629391686.db2.gz LQOQPHFAJWGSLU-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN CCN(CC)c1ccc(CN2CCO[C@@H](CCF)C2)cc1 ZINC000862530954 629392061 /nfs/dbraw/zinc/39/20/61/629392061.db2.gz VZGFXLMVLPPACU-KRWDZBQOSA-N 0 0 294.414 3.093 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000862754400 629428952 /nfs/dbraw/zinc/42/89/52/629428952.db2.gz DHVPUGAVFFTRFK-MAUKXSAKSA-N 0 0 299.345 3.202 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CC(C)(C)C2CC2)c1 ZINC000862755325 629429948 /nfs/dbraw/zinc/42/99/48/629429948.db2.gz QRXGIYHUSWRWSS-UHFFFAOYSA-N 0 0 261.365 3.143 20 10 CGCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC(C)(C)C1 ZINC000794275097 629528509 /nfs/dbraw/zinc/52/85/09/629528509.db2.gz MJMDQKIJGVQXCZ-VUDGCMKMSA-N 0 0 289.375 3.148 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)c(O)c1O ZINC000794344727 629534933 /nfs/dbraw/zinc/53/49/33/629534933.db2.gz DTNIIGCFGSZOOK-GFCCVEGCSA-N 0 0 291.391 3.305 20 10 CGCDRN COC(=O)c1cnc(SCSC(C)C)s1 ZINC000863341063 629538270 /nfs/dbraw/zinc/53/82/70/629538270.db2.gz PHISNXVDSNBJQQ-UHFFFAOYSA-N 0 0 263.409 3.121 20 10 CGCDRN C=Cc1ccc(CCNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000794381439 629538603 /nfs/dbraw/zinc/53/86/03/629538603.db2.gz AENKNBSZCZCFEP-UHFFFAOYSA-N 0 0 297.354 3.022 20 10 CGCDRN CCc1nc(C)c(CN(C)c2ccc(OC)c(F)c2)o1 ZINC000794398026 629540414 /nfs/dbraw/zinc/54/04/14/629540414.db2.gz IOBFWMSRJDAMMD-UHFFFAOYSA-N 0 0 278.327 3.330 20 10 CGCDRN CCN(Cc1cc(C)cc(OC)c1O)[C@H](C)C(F)(F)F ZINC000794678140 629565642 /nfs/dbraw/zinc/56/56/42/629565642.db2.gz MEUHDCSFEDXHJU-SNVBAGLBSA-N 0 0 291.313 3.482 20 10 CGCDRN COc1ccc(CNc2ccnc(C(C)(C)C)n2)c(O)c1 ZINC000795283650 629655857 /nfs/dbraw/zinc/65/58/57/629655857.db2.gz FPZPDMUNTDPIHE-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN COc1ccc(CNc2ncnc3ccsc32)c(O)c1 ZINC000795284143 629656520 /nfs/dbraw/zinc/65/65/20/629656520.db2.gz IPXXQRLOJXCVHN-UHFFFAOYSA-N 0 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OCCc1ccc(NCc2ccc3ccccc3c2O)cn1 ZINC000816612105 632022792 /nfs/dbraw/zinc/02/27/92/632022792.db2.gz GLTHEYHTDGWTTH-UHFFFAOYSA-N 0 0 294.354 3.087 20 10 CGCDRN CC(C)N(C)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816615525 632024906 /nfs/dbraw/zinc/02/49/06/632024906.db2.gz YLCIFXIIXZLLNJ-JTQLQIEISA-N 0 0 288.794 3.003 20 10 CGCDRN CCc1nocc1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000816652784 632039075 /nfs/dbraw/zinc/03/90/75/632039075.db2.gz UHTRFFAWARHTDA-UHFFFAOYSA-N 0 0 298.745 3.367 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CC23CC3)C2CC2)cc1 ZINC000817427081 632151750 /nfs/dbraw/zinc/15/17/50/632151750.db2.gz HTXARKPAJGVTKI-MRXNPFEDSA-N 0 0 284.403 3.044 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000817954809 632250280 /nfs/dbraw/zinc/25/02/80/632250280.db2.gz KGWYGMYITXWCEQ-ZUZCIYMTSA-N 0 0 292.329 3.021 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CN)CC(C)C)c1cccc(Cl)c1[O-] ZINC000817959143 632255337 /nfs/dbraw/zinc/25/53/37/632255337.db2.gz PTGIKGJOUMINGN-SMDDNHRTSA-N 0 0 284.831 3.460 20 10 CGCDRN CO[C@H](COc1ccc(N2CCCC2)cc1)C1CC1 ZINC000818079057 632284857 /nfs/dbraw/zinc/28/48/57/632284857.db2.gz DJEVSFAFKFDASK-MRXNPFEDSA-N 0 0 261.365 3.091 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cc1[O-] ZINC000818358748 632314582 /nfs/dbraw/zinc/31/45/82/632314582.db2.gz FZKGNZFQLBUZBL-MWGHHZFTSA-N 0 0 251.757 3.495 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818358321 632314758 /nfs/dbraw/zinc/31/47/58/632314758.db2.gz UQGBBDYUBVVOCC-GMTAPVOTSA-N 0 0 290.190 3.263 20 10 CGCDRN Cc1nnc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840384727 632460966 /nfs/dbraw/zinc/46/09/66/632460966.db2.gz OKOOTNAGSIWHIR-NSHDSACASA-N 0 0 290.436 3.264 20 10 CGCDRN Cc1nsc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840384728 632461078 /nfs/dbraw/zinc/46/10/78/632461078.db2.gz OLJUEAJSJIISAP-LLVKDONJSA-N 0 0 290.436 3.264 20 10 CGCDRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(N)cc1 ZINC000819928518 632538112 /nfs/dbraw/zinc/53/81/12/632538112.db2.gz LCSXBBYEBQNDLU-INIZCTEOSA-N 0 0 296.414 3.462 20 10 CGCDRN CCCCc1cc(NCc2ccc(OC)cc2O)ncn1 ZINC000865750180 632877588 /nfs/dbraw/zinc/87/75/88/632877588.db2.gz MMQHKYKFVATTMR-UHFFFAOYSA-N 0 0 287.363 3.146 20 10 CGCDRN C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000822226646 632887025 /nfs/dbraw/zinc/88/70/25/632887025.db2.gz BLAUMBZSCOGMSL-DYVFJYSZSA-N 0 0 274.408 3.195 20 10 CGCDRN CC[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000822416417 632921193 /nfs/dbraw/zinc/92/11/93/632921193.db2.gz OKGGTRSQZAOXGD-RHSMWYFYSA-N 0 0 286.419 3.290 20 10 CGCDRN CCN(CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822603249 632984948 /nfs/dbraw/zinc/98/49/48/632984948.db2.gz REOMYPOVKSPWQH-UHFFFAOYSA-N 0 0 288.351 3.111 20 10 CGCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000866097001 632999891 /nfs/dbraw/zinc/99/98/91/632999891.db2.gz HUHJEGMFYXBYFZ-UHFFFAOYSA-N 0 0 289.404 3.444 20 10 CGCDRN COc1ccc(N(Cc2snnc2C)CC2CC2)cc1 ZINC000844339450 635873669 /nfs/dbraw/zinc/87/36/69/635873669.db2.gz ZMJLGHLULWOWML-UHFFFAOYSA-N 0 0 289.404 3.272 20 10 CGCDRN CC/C(C)=C\C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000822809559 633024899 /nfs/dbraw/zinc/02/48/99/633024899.db2.gz XRYQLKCJIOIBAN-OWBHPGMISA-N 0 0 274.408 3.457 20 10 CGCDRN COC(C)(C)c1nsc(N[C@@H](C)c2ccccc2O)n1 ZINC000866236379 633037713 /nfs/dbraw/zinc/03/77/13/633037713.db2.gz AFWJQVSHLSIESD-VIFPVBQESA-N 0 0 293.392 3.298 20 10 CGCDRN C[C@H](Nc1ncnc2c1ncn2C1CC1)c1ccccc1O ZINC000866238904 633039858 /nfs/dbraw/zinc/03/98/58/633039858.db2.gz RERUKVMQJFQLCK-JTQLQIEISA-N 0 0 295.346 3.040 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cnn3c2CCCC3)c(O)c1 ZINC000866460079 633145103 /nfs/dbraw/zinc/14/51/03/633145103.db2.gz DOBQFUVTSWHBFY-GFCCVEGCSA-N 0 0 271.364 3.407 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000866501184 633161871 /nfs/dbraw/zinc/16/18/71/633161871.db2.gz YTVNNMRPCIIVKO-VCPWFBHLSA-N 0 0 281.224 3.272 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(F)cc1[O-] ZINC000866615964 633215411 /nfs/dbraw/zinc/21/54/11/633215411.db2.gz YAHFZOMRMNWTSS-GWCFXTLKSA-N 0 0 277.343 3.067 20 10 CGCDRN COC[C@@]1(C)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824583819 633262368 /nfs/dbraw/zinc/26/23/68/633262368.db2.gz RKKCDTCFCKOKFA-AWEZNQCLSA-N 0 0 287.762 3.043 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000824820247 633295861 /nfs/dbraw/zinc/29/58/61/633295861.db2.gz BXDNWWGNODCJBE-LKFCYVNXSA-N 0 0 287.762 3.042 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCCC1(C)C)c1ccccc1O ZINC000868345981 633316391 /nfs/dbraw/zinc/31/63/91/633316391.db2.gz VOOIPKDOMJOIOP-RISCZKNCSA-N 0 0 276.380 3.331 20 10 CGCDRN COCCN(Cc1ccccc1O)c1ccccc1 ZINC000825036035 633320132 /nfs/dbraw/zinc/32/01/32/633320132.db2.gz YVWFUODCGAMATN-UHFFFAOYSA-N 0 0 257.333 3.045 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CC12CCCCC2)c1ccccc1O ZINC000868471275 633327297 /nfs/dbraw/zinc/32/72/97/633327297.db2.gz NBGJEXAHTXBFBZ-IUODEOHRSA-N 0 0 288.391 3.475 20 10 CGCDRN CO[C@@H]([C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000825098251 633327523 /nfs/dbraw/zinc/32/75/23/633327523.db2.gz DZZLFQAWEFWHJK-RTHLEPHNSA-N 0 0 287.762 3.088 20 10 CGCDRN C[C@]1(NC(=O)C2=CC(=O)CS2)CCCc2ccccc21 ZINC000825288587 633342250 /nfs/dbraw/zinc/34/22/50/633342250.db2.gz SGHAGZVJUFWKRV-INIZCTEOSA-N 0 0 287.384 3.435 20 10 CGCDRN CCSC1(CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868783159 633362837 /nfs/dbraw/zinc/36/28/37/633362837.db2.gz FEDIFWFJHURWOR-NSHDSACASA-N 0 0 294.420 3.038 20 10 CGCDRN C[C@H](NC(=O)NC[C@H]1CCCC12CC2)c1ccccc1O ZINC000868819763 633367024 /nfs/dbraw/zinc/36/70/24/633367024.db2.gz ZSNLYSSCGYZMIC-QWHCGFSZSA-N 0 0 288.391 3.333 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCC(C)C)c1 ZINC000825737198 633378979 /nfs/dbraw/zinc/37/89/79/633378979.db2.gz VGWBUDHQCXTUOA-LBPRGKRZSA-N 0 0 279.380 3.404 20 10 CGCDRN CCC[C@H]1CCC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000825838680 633383030 /nfs/dbraw/zinc/38/30/30/633383030.db2.gz FFCDERONHFMQHA-SWLSCSKDSA-N 0 0 291.391 3.233 20 10 CGCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)NCc2ccccc2O)cc1 ZINC000826036160 633399291 /nfs/dbraw/zinc/39/92/91/633399291.db2.gz ZUBJWQTZCRXQNB-JKSUJKDBSA-N 0 0 296.370 3.056 20 10 CGCDRN Cc1cc(O)c(CN2CCC[C@H](F)C2)cc1Cl ZINC000826142371 633407982 /nfs/dbraw/zinc/40/79/82/633407982.db2.gz AJBBGXVJGYUFRT-NSHDSACASA-N 0 0 257.736 3.288 20 10 CGCDRN CC(C)(F)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827189635 633469108 /nfs/dbraw/zinc/46/91/08/633469108.db2.gz LILGEUJJJBGJRM-UHFFFAOYSA-N 0 0 263.715 3.413 20 10 CGCDRN C[C@H](O)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000827856227 633525754 /nfs/dbraw/zinc/52/57/54/633525754.db2.gz MZVZHYOVTGDUDY-XHDPSFHLSA-N 0 0 291.778 3.257 20 10 CGCDRN Cc1cccc(OCCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827916821 633535047 /nfs/dbraw/zinc/53/50/47/633535047.db2.gz KHUXMAJATREIAG-CQSZACIVSA-N 0 0 299.370 3.347 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000827936743 633536475 /nfs/dbraw/zinc/53/64/75/633536475.db2.gz CAIBAFYORYQRLH-YNEHKIRRSA-N 0 0 261.365 3.396 20 10 CGCDRN CC[C@H](OC1CCCC1)C(=O)N[C@H](C)c1ccccc1O ZINC000827937257 633536910 /nfs/dbraw/zinc/53/69/10/633536910.db2.gz PYBRGIQKRSJZLT-WBMJQRKESA-N 0 0 291.391 3.307 20 10 CGCDRN CC(C)Nc1ncccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827937365 633537699 /nfs/dbraw/zinc/53/76/99/633537699.db2.gz UBMKVICPHLYEDS-GFCCVEGCSA-N 0 0 299.374 3.099 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@@H]1C1CCCC1)c1ccccc1O ZINC000827952577 633539462 /nfs/dbraw/zinc/53/94/62/633539462.db2.gz XUDKFWWOQRAWDS-KCPJHIHWSA-N 0 0 273.376 3.396 20 10 CGCDRN C[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)c1ccccc1O ZINC000827955565 633539994 /nfs/dbraw/zinc/53/99/94/633539994.db2.gz AZZMRCDWXJSDKJ-RKDXNWHRSA-N 0 0 275.270 3.158 20 10 CGCDRN Cc1cc(C)cc(CC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827960112 633541037 /nfs/dbraw/zinc/54/10/37/633541037.db2.gz JHVLWWBIFKCRFA-AWEZNQCLSA-N 0 0 283.371 3.429 20 10 CGCDRN C[C@H](NC(=O)CC(C)(C)C1CC1)c1ccccc1O ZINC000827964704 633541759 /nfs/dbraw/zinc/54/17/59/633541759.db2.gz RUVIQJYSDJQPQW-NSHDSACASA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000827964738 633542062 /nfs/dbraw/zinc/54/20/62/633542062.db2.gz SVUYXPSYCFIEOI-OVZMXSCWSA-N 0 0 259.349 3.006 20 10 CGCDRN C[C@H](NC(=O)C[C@H]1CC[C@H](C)C1)c1ccccc1O ZINC000827973139 633542567 /nfs/dbraw/zinc/54/25/67/633542567.db2.gz INHGXKPETOKAGL-AVGNSLFASA-N 0 0 261.365 3.396 20 10 CGCDRN Cc1nc(C2CC2)oc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969892 633542926 /nfs/dbraw/zinc/54/29/26/633542926.db2.gz UPZHYTQRIKZGEC-VIFPVBQESA-N 0 0 286.331 3.057 20 10 CGCDRN CCO[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000827973572 633543687 /nfs/dbraw/zinc/54/36/87/633543687.db2.gz SZXIPKSWZMHTTC-WFASDCNBSA-N 0 0 279.380 3.021 20 10 CGCDRN CC[C@@](C)(NC(=O)C1=CC(=O)CS1)c1nc(C)cs1 ZINC000828654238 633640352 /nfs/dbraw/zinc/64/03/52/633640352.db2.gz PIJMPBGKVVBXMO-CYBMUJFWSA-N 0 0 296.417 3.274 20 10 CGCDRN O=C([C@H]1CCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871197994 633722233 /nfs/dbraw/zinc/72/22/33/633722233.db2.gz CPOGMXJSMRAXER-INIZCTEOSA-N 0 0 293.366 3.355 20 10 CGCDRN O=C(N1Cc2cccc(O)c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000871198313 633722832 /nfs/dbraw/zinc/72/28/32/633722832.db2.gz GZHMEIWYQAKJKS-UHFFFAOYSA-N 0 0 297.398 3.451 20 10 CGCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccccc1F ZINC000871201515 633723391 /nfs/dbraw/zinc/72/33/91/633723391.db2.gz WFDFENAHKSOMCE-UHFFFAOYSA-N 0 0 299.345 3.351 20 10 CGCDRN CCO[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871200481 633723410 /nfs/dbraw/zinc/72/34/10/633723410.db2.gz COFVZAFLOUYWLR-KRWDZBQOSA-N 0 0 297.354 3.012 20 10 CGCDRN C[C@@H]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C ZINC000871205141 633725061 /nfs/dbraw/zinc/72/50/61/633725061.db2.gz OWHPZAKTNHJVLA-UPJWGTAASA-N 0 0 273.376 3.307 20 10 CGCDRN CC1(C)CC=C(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205880 633725227 /nfs/dbraw/zinc/72/52/27/633725227.db2.gz MSZZLXCQYJBYSY-UHFFFAOYSA-N 0 0 271.360 3.371 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](C2CCC2)CC1 ZINC000871223384 633733005 /nfs/dbraw/zinc/73/30/05/633733005.db2.gz UVXPASZRDUHHEA-ZDUSSCGKSA-N 0 0 289.375 3.140 20 10 CGCDRN COC(=O)c1cnc(SC[C@H]2CCC(F)(F)C2)s1 ZINC000829678091 633764718 /nfs/dbraw/zinc/76/47/18/633764718.db2.gz YMGISOWERYLYHG-ZETCQYMHSA-N 0 0 293.360 3.457 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC2(C)C)c1 ZINC000830541138 633869591 /nfs/dbraw/zinc/86/95/91/633869591.db2.gz SYJRVVNPCAUZSZ-GWCFXTLKSA-N 0 0 277.364 3.014 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H](C)CCC(=O)[O-])cc1C ZINC000871877995 633906905 /nfs/dbraw/zinc/90/69/05/633906905.db2.gz ARCHZSIZJRXLRU-CYBMUJFWSA-N 0 0 279.380 3.127 20 10 CGCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(O)c1F ZINC000872030655 633949092 /nfs/dbraw/zinc/94/90/92/633949092.db2.gz IWASMZPXPHXVCV-LLVKDONJSA-N 0 0 287.334 3.317 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@H]2CCCOC2)cc1 ZINC000831588375 633979861 /nfs/dbraw/zinc/97/98/61/633979861.db2.gz YOKJIHRXCXMCKH-OAHLLOKOSA-N 0 0 275.392 3.338 20 10 CGCDRN COc1ccc(N(Cc2cnc(C)nc2)CC2CC2)cc1 ZINC000831587729 633980174 /nfs/dbraw/zinc/98/01/74/633980174.db2.gz ISOYUTVLGBYNKH-UHFFFAOYSA-N 0 0 283.375 3.210 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CCC[C@@H](F)C2)cc1 ZINC000846120518 636147233 /nfs/dbraw/zinc/14/72/33/636147233.db2.gz RCKGUYKEJCGPQQ-UYWPIULCSA-N 0 0 262.372 3.200 20 10 CGCDRN O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)C1=CC(=O)CS1 ZINC000832835449 634102353 /nfs/dbraw/zinc/10/23/53/634102353.db2.gz VQKVWMBXHHFQPF-UMSPYCQHSA-N 0 0 291.347 3.269 20 10 CGCDRN Oc1ccccc1CN(Cc1csnn1)C1CCCC1 ZINC000124087540 634146090 /nfs/dbraw/zinc/14/60/90/634146090.db2.gz KLVOTXHIOPCUNG-UHFFFAOYSA-N 0 0 289.404 3.189 20 10 CGCDRN CC[C@@H](N[C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834624033 634201321 /nfs/dbraw/zinc/20/13/21/634201321.db2.gz DZTYMEHVZRMNMG-CHWSQXEVSA-N 0 0 291.391 3.089 20 10 CGCDRN Cc1cccc(OCCN(C)c2ccc(N)cc2)c1 ZINC000019727596 634218824 /nfs/dbraw/zinc/21/88/24/634218824.db2.gz NGYANNSQWJLPLI-UHFFFAOYSA-N 0 0 256.349 3.092 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834855801 634257741 /nfs/dbraw/zinc/25/77/41/634257741.db2.gz GSBZSCZPNRIPLN-IMSIIYSGSA-N 0 0 287.350 3.382 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])[C@@H](C)O ZINC000834889019 634268705 /nfs/dbraw/zinc/26/87/05/634268705.db2.gz TXYDDCICLFQABZ-LNLATYFQSA-N 0 0 291.313 3.221 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@@H](C)O ZINC000834889023 634269030 /nfs/dbraw/zinc/26/90/30/634269030.db2.gz TXYDDCICLFQABZ-SBMIAAHKSA-N 0 0 291.313 3.221 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000834909538 634284579 /nfs/dbraw/zinc/28/45/79/634284579.db2.gz LNPTVOMKRQVBSC-NWDGAFQWSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@@H]([NH2+]CCN1CCCC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000834912101 634285372 /nfs/dbraw/zinc/28/53/72/634285372.db2.gz VYWSQISLRAFPCI-LLVKDONJSA-N 0 0 298.377 3.195 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000834916070 634287179 /nfs/dbraw/zinc/28/71/79/634287179.db2.gz ULOQOAOSXIEKEJ-AVPPRXQKSA-N 0 0 290.190 3.263 20 10 CGCDRN Cc1ccc(C(=O)N2CCCCCCCC2)c(O)c1O ZINC000836925297 634830960 /nfs/dbraw/zinc/83/09/60/634830960.db2.gz YEXVCBBKVFLCEL-UHFFFAOYSA-N 0 0 277.364 3.203 20 10 CGCDRN CN(C)c1ccc(/C=C/CNC2(C(F)F)CC2)cc1 ZINC000835049117 634335376 /nfs/dbraw/zinc/33/53/76/634335376.db2.gz FRMDTQQCCHRQCB-ONEGZZNKSA-N 0 0 266.335 3.153 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2cccc(CCO)c2)cc1 ZINC000835054337 634338319 /nfs/dbraw/zinc/33/83/19/634338319.db2.gz KGWRVYSRFLGZCH-GQCTYLIASA-N 0 0 296.414 3.413 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000837015850 634842799 /nfs/dbraw/zinc/84/27/99/634842799.db2.gz OULJZPXTKMCKRU-OAHLLOKOSA-N 0 0 299.326 3.058 20 10 CGCDRN C[C@H](CC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000837228705 634874681 /nfs/dbraw/zinc/87/46/81/634874681.db2.gz OOCIXNTXFWGIPX-LXSSAFMLSA-N 0 0 277.364 3.052 20 10 CGCDRN CC(C)[C@@H](C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000837302851 634881922 /nfs/dbraw/zinc/88/19/22/634881922.db2.gz JSAKLLKDIZKNJK-QGZVFWFLSA-N 0 0 282.387 3.325 20 10 CGCDRN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCC1 ZINC000837480807 634917688 /nfs/dbraw/zinc/91/76/88/634917688.db2.gz LLDHCYIXUPCDCF-GFCCVEGCSA-N 0 0 287.403 3.323 20 10 CGCDRN CC(C)Cc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000876987856 634944635 /nfs/dbraw/zinc/94/46/35/634944635.db2.gz LJLVMECLCQHGIR-UHFFFAOYSA-N 0 0 296.414 3.326 20 10 CGCDRN CN(C)c1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877016511 634951738 /nfs/dbraw/zinc/95/17/38/634951738.db2.gz GZNOPFXATMOIMI-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC000877043811 634961927 /nfs/dbraw/zinc/96/19/27/634961927.db2.gz OLWJUPAUAYSCAG-QWHCGFSZSA-N 0 0 297.345 3.108 20 10 CGCDRN CC[C@@H](C(=O)N(C)c1ccc(N)cc1)c1ccc(OC)cc1 ZINC000877076759 634974596 /nfs/dbraw/zinc/97/45/96/634974596.db2.gz VCDSOIQNNYJEHF-QGZVFWFLSA-N 0 0 298.386 3.434 20 10 CGCDRN Cc1ccc(OCCCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877079404 634975134 /nfs/dbraw/zinc/97/51/34/634975134.db2.gz XQMBWUCAXORILO-UHFFFAOYSA-N 0 0 298.386 3.399 20 10 CGCDRN CC(C)Oc1ccccc1CC(=O)N(C)c1ccc(N)cc1 ZINC000877078532 634975383 /nfs/dbraw/zinc/97/53/83/634975383.db2.gz SZFPWTQOLMDTDG-UHFFFAOYSA-N 0 0 298.386 3.262 20 10 CGCDRN CN(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(N)cc1 ZINC000877078652 634975526 /nfs/dbraw/zinc/97/55/26/634975526.db2.gz YCJLGODPBWPSHG-CQSZACIVSA-N 0 0 294.398 3.427 20 10 CGCDRN COc1ccc([C@@H](C)CC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877077636 634975823 /nfs/dbraw/zinc/97/58/23/634975823.db2.gz POLBWORITXIVTR-ZDUSSCGKSA-N 0 0 298.386 3.434 20 10 CGCDRN Cc1ccc(CNCc2nnc(C(C)(C)C)s2)c(O)c1 ZINC000877087719 634980420 /nfs/dbraw/zinc/98/04/20/634980420.db2.gz QFSFDLOINHMLJC-UHFFFAOYSA-N 0 0 291.420 3.139 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc2c(c1)N(C)CCO2 ZINC000877159671 635003447 /nfs/dbraw/zinc/00/34/47/635003447.db2.gz IUIFOXUKODRMMF-UHFFFAOYSA-N 0 0 284.359 3.141 20 10 CGCDRN Cc1cnc([C@H](C)C[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877339742 635028417 /nfs/dbraw/zinc/02/84/17/635028417.db2.gz ACWJOUCOZGSQKQ-MRVPVSSYSA-N 0 0 298.358 3.329 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=S)NC2(C)CCC2)cc1 ZINC000840702580 635037123 /nfs/dbraw/zinc/03/71/23/635037123.db2.gz BKSBGJFBKZHMEA-UHFFFAOYSA-N 0 0 291.464 3.002 20 10 CGCDRN COC(=O)CCc1cccc(NCc2c(C)cccc2O)c1 ZINC000877464705 635047029 /nfs/dbraw/zinc/04/70/29/635047029.db2.gz LKTAQQJJJCTSNH-UHFFFAOYSA-N 0 0 299.370 3.418 20 10 CGCDRN Cc1ccc(N2CC[C@@H](Sc3nccs3)C2=O)cc1 ZINC000126550471 635053809 /nfs/dbraw/zinc/05/38/09/635053809.db2.gz KKUGVIQOTHQKGQ-GFCCVEGCSA-N 0 0 290.413 3.349 20 10 CGCDRN Cc1cc(O)c(CNc2cc3n(n2)CCCC3)c(Cl)c1 ZINC000840946562 635089143 /nfs/dbraw/zinc/08/91/43/635089143.db2.gz RMARJENNVJLGAH-UHFFFAOYSA-N 0 0 291.782 3.499 20 10 CGCDRN COc1ccc(CNCc2nnc(C3CC3)s2)cc1C ZINC000840973050 635097718 /nfs/dbraw/zinc/09/77/18/635097718.db2.gz CVALQIFIIWGSKU-UHFFFAOYSA-N 0 0 289.404 3.022 20 10 CGCDRN CC(C)OCC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000840974176 635097988 /nfs/dbraw/zinc/09/79/88/635097988.db2.gz YZLGVGSVLVHKTD-UHFFFAOYSA-N 0 0 289.778 3.478 20 10 CGCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@H]2CCCC[C@H]12 ZINC000841295907 635148259 /nfs/dbraw/zinc/14/82/59/635148259.db2.gz JEBJLFPYMLHWHW-DFBGVHRSSA-N 0 0 273.380 3.311 20 10 CGCDRN Nc1ccc(NC(=O)N2CC3(C2)CCCCC3)cc1 ZINC000841295952 635148528 /nfs/dbraw/zinc/14/85/28/635148528.db2.gz KNZYNCPUJFYZOH-UHFFFAOYSA-N 0 0 259.353 3.067 20 10 CGCDRN CC(C)[C@H](CNC(=O)Nc1ccc(N)cc1)c1cccnc1 ZINC000841300511 635149434 /nfs/dbraw/zinc/14/94/34/635149434.db2.gz SGVYNXNPAXTNIW-INIZCTEOSA-N 0 0 298.390 3.225 20 10 CGCDRN Cc1ccc2c(c1)N[C@H](c1cc(C)c(C)cc1O)NC2=O ZINC000877865092 635246449 /nfs/dbraw/zinc/24/64/49/635246449.db2.gz UWRBXVKDGNMPBY-INIZCTEOSA-N 0 0 282.343 3.172 20 10 CGCDRN CC(C)(C)C(C)(C)CNC(=O)NCCc1ccc(N)cc1 ZINC000841906037 635251169 /nfs/dbraw/zinc/25/11/69/635251169.db2.gz BWWDSUQQKGLTHO-UHFFFAOYSA-N 0 0 291.439 3.183 20 10 CGCDRN C[C@H]1c2ccccc2CN1C(=O)NCCc1ccc(N)cc1 ZINC000841960360 635252613 /nfs/dbraw/zinc/25/26/13/635252613.db2.gz NYWXLGXXFXNIRJ-ZDUSSCGKSA-N 0 0 295.386 3.098 20 10 CGCDRN C[C@@H]1CCC[C@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841955121 635253043 /nfs/dbraw/zinc/25/30/43/635253043.db2.gz VBFGQEIDBLJKTR-UONOGXRCSA-N 0 0 289.423 3.031 20 10 CGCDRN COc1ccc(N(C)C[C@H]2CCO[C@@H]2C)cc1Cl ZINC000878187396 635400216 /nfs/dbraw/zinc/40/02/16/635400216.db2.gz YMPPDOKMBORHJC-GHMZBOCLSA-N 0 0 269.772 3.210 20 10 CGCDRN CO[C@H]1C[C@@H](CN(C)c2ccc(OC(C)C)cc2)C1 ZINC000878511911 635538669 /nfs/dbraw/zinc/53/86/69/635538669.db2.gz IXWIKHLAPCUUJD-AKAXFMLLSA-N 0 0 263.381 3.335 20 10 CGCDRN CC1(c2nc(Cc3ccc(N)cc3)no2)CCCC1 ZINC000843159235 635588739 /nfs/dbraw/zinc/58/87/39/635588739.db2.gz NKUHSTPXVGHYAS-UHFFFAOYSA-N 0 0 257.337 3.074 20 10 CGCDRN CCCCCCOCc1nc(Cc2ccc(N)cc2)no1 ZINC000843159471 635588805 /nfs/dbraw/zinc/58/88/05/635588805.db2.gz QFCOSMIUJCIMMY-UHFFFAOYSA-N 0 0 289.379 3.340 20 10 CGCDRN Cc1cc(CN2CCC[C@H]2c2ncccn2)ccc1N(C)C ZINC000878977367 635670260 /nfs/dbraw/zinc/67/02/60/635670260.db2.gz LAOVSLFILQLVLF-KRWDZBQOSA-N 0 0 296.418 3.188 20 10 CGCDRN Cc1coc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000878987888 635672807 /nfs/dbraw/zinc/67/28/07/635672807.db2.gz ROZKBGPMXCRLCJ-UHFFFAOYSA-N 0 0 285.343 3.102 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC2(CCC2)O1 ZINC000843435130 635675777 /nfs/dbraw/zinc/67/57/77/635675777.db2.gz IGCSEKIWBXSQLN-NSHDSACASA-N 0 0 281.783 3.189 20 10 CGCDRN CC(C)c1noc([C@@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879649685 635826374 /nfs/dbraw/zinc/82/63/74/635826374.db2.gz SLGBQFWZPLLJMY-GHMZBOCLSA-N 0 0 275.352 3.310 20 10 CGCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)oc1C ZINC000128036775 635868976 /nfs/dbraw/zinc/86/89/76/635868976.db2.gz HXCOFVDZOYSXIT-UHFFFAOYSA-N 0 0 299.370 3.411 20 10 CGCDRN COc1ccc(N(C)Cc2nnc(C(C)C)s2)cc1 ZINC000844355154 635878726 /nfs/dbraw/zinc/87/87/26/635878726.db2.gz LQBLZHNOLSVGFN-UHFFFAOYSA-N 0 0 277.393 3.307 20 10 CGCDRN COCc1cccc(CN(C)c2ccc(OC)cc2)c1 ZINC000844353556 635879017 /nfs/dbraw/zinc/87/90/17/635879017.db2.gz YCIOGMLUCOGMAX-UHFFFAOYSA-N 0 0 271.360 3.478 20 10 CGCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000024180313 636050370 /nfs/dbraw/zinc/05/03/70/636050370.db2.gz NCBRXHFEVNISQY-UHFFFAOYSA-N 0 0 296.414 3.228 20 10 CGCDRN COCc1ccnc(NC/C=C/c2ccc(N(C)C)cc2)c1 ZINC000846116397 636146633 /nfs/dbraw/zinc/14/66/33/636146633.db2.gz AEJDCRNJWHCJNH-SNAWJCMRSA-N 0 0 297.402 3.419 20 10 CGCDRN COc1cccc([C@@H](C)N[C@@H](C)C(F)(F)F)c1O ZINC000846173791 636153491 /nfs/dbraw/zinc/15/34/91/636153491.db2.gz USZFRVUCRBYOFB-SFYZADRCSA-N 0 0 263.259 3.002 20 10 CGCDRN C[C@H]1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474672 636188059 /nfs/dbraw/zinc/18/80/59/636188059.db2.gz ZBAAODPTEPYGIS-VHSXEESVSA-N 0 0 267.756 3.098 20 10 CGCDRN C[C@]1(C(=O)NCc2cc(Cl)ccc2O)CC=CCC1 ZINC000846476063 636188731 /nfs/dbraw/zinc/18/87/31/636188731.db2.gz IMKWRFISKWJZIQ-HNNXBMFYSA-N 0 0 279.767 3.408 20 10 CGCDRN CC(C)(C)OCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846477178 636189166 /nfs/dbraw/zinc/18/91/66/636189166.db2.gz QODKMSGPSDJAPQ-UHFFFAOYSA-N 0 0 299.798 3.257 20 10 CGCDRN CN1CC[C@@H](CSc2ncc(C(C)(C)C)s2)C1=O ZINC000882139314 636268918 /nfs/dbraw/zinc/26/89/18/636268918.db2.gz VAYDULRJZDQPRN-VIFPVBQESA-N 0 0 284.450 3.011 20 10 CGCDRN C[C@H](O)CCN(C)c1ccc(-c2nccs2)cc1 ZINC000846995780 636303735 /nfs/dbraw/zinc/30/37/35/636303735.db2.gz PBQVHEVIPCWCMW-NSHDSACASA-N 0 0 262.378 3.017 20 10 CGCDRN O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)C1=CC(=O)CS1 ZINC000882696187 636385453 /nfs/dbraw/zinc/38/54/53/636385453.db2.gz RVLZDDOLHFFUTK-GXTWGEPZSA-N 0 0 291.347 3.209 20 10 CGCDRN O=C(N[C@@H]1c2ccccc2CC[C@H]1F)C1=CC(=O)CS1 ZINC000882696190 636385501 /nfs/dbraw/zinc/38/55/01/636385501.db2.gz RVLZDDOLHFFUTK-TZMCWYRMSA-N 0 0 291.347 3.209 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccsc1 ZINC000130523090 636470688 /nfs/dbraw/zinc/47/06/88/636470688.db2.gz NVEWBDSINTXTDR-LLVKDONJSA-N 0 0 275.373 3.216 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883078719 636531754 /nfs/dbraw/zinc/53/17/54/636531754.db2.gz AVFFDNUOOWGJAL-OCCSQVGLSA-N 0 0 299.361 3.354 20 10 CGCDRN Cc1cc(NCc2cc(F)cc(F)c2O)nn1C(C)C ZINC000883148165 636556397 /nfs/dbraw/zinc/55/63/97/636556397.db2.gz XAJTZSSETJJQOU-UHFFFAOYSA-N 0 0 281.306 3.368 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1CCC(F)CC1 ZINC000883154475 636558766 /nfs/dbraw/zinc/55/87/66/636558766.db2.gz KBAITEOUYGQGNR-UHFFFAOYSA-N 0 0 273.298 3.288 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1C=CCC1)c1cc(F)cc(F)c1[O-] ZINC000883247060 636615758 /nfs/dbraw/zinc/61/57/58/636615758.db2.gz YIVUCCHLFOEOCQ-UWVGGRQHSA-N 0 0 253.292 3.287 20 10 CGCDRN CC(C)Oc1nc(Sc2nccs2)ccc1[N+](=O)[O-] ZINC000848657353 636631054 /nfs/dbraw/zinc/63/10/54/636631054.db2.gz XTFIJGBJCVRMFU-UHFFFAOYSA-N 0 0 297.361 3.385 20 10 CGCDRN Cc1ccc(O)c([C@H](C)NC2(c3ncccn3)CCC2)c1 ZINC000883312304 636662076 /nfs/dbraw/zinc/66/20/76/636662076.db2.gz ZKYDYPOUYQZQQN-ZDUSSCGKSA-N 0 0 283.375 3.221 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000848922413 636693066 /nfs/dbraw/zinc/69/30/66/636693066.db2.gz QWXAAWKLKJGWTG-CABCVRRESA-N 0 0 295.810 3.483 20 10 CGCDRN CCN1C(=O)/C(=C/c2cc(COC)cs2)SC1=S ZINC000849175701 636766607 /nfs/dbraw/zinc/76/66/07/636766607.db2.gz PUHAVWMZKHNWNE-YHYXMXQVSA-N 0 0 299.442 3.116 20 10 CGCDRN CC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000132001923 636774065 /nfs/dbraw/zinc/77/40/65/636774065.db2.gz JUJZHULQOGFCSZ-NSHDSACASA-N 0 0 290.190 3.310 20 10 CGCDRN COC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC000086683269 636783905 /nfs/dbraw/zinc/78/39/05/636783905.db2.gz WVKQUFHKKOCUAT-LBPRGKRZSA-N 0 0 292.206 3.460 20 10 CGCDRN C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000087044097 636788924 /nfs/dbraw/zinc/78/89/24/636788924.db2.gz FFEWNQNGIRVKGW-BGMSHATGSA-N 0 0 281.371 3.123 20 10 CGCDRN COc1cccc(NCc2cc(C)c(C)cc2O)n1 ZINC000849347073 636816554 /nfs/dbraw/zinc/81/65/54/636816554.db2.gz PSGVXPZTWSCRFO-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN C[C@H]1C[NH+](Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000132754743 636835291 /nfs/dbraw/zinc/83/52/91/636835291.db2.gz FGHPRFFTCNSTON-UWVGGRQHSA-N 0 0 284.197 3.243 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(OC)c2O)cc1 ZINC000133066732 636869617 /nfs/dbraw/zinc/86/96/17/636869617.db2.gz RZGZPYWIVSHLMI-UHFFFAOYSA-N 0 0 273.332 3.046 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CC[C@H](C)C2)c1 ZINC000133082460 636873073 /nfs/dbraw/zinc/87/30/73/636873073.db2.gz GUWOCCLHBZHKJU-AVGNSLFASA-N 0 0 291.391 3.404 20 10 CGCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)CC(C)(C)O1 ZINC000133112245 636874364 /nfs/dbraw/zinc/87/43/64/636874364.db2.gz SIJGVYLRUFIASH-JTQLQIEISA-N 0 0 269.772 3.045 20 10 CGCDRN CCCCCNC(=O)CSc1ncc(Cl)s1 ZINC000849998232 636923963 /nfs/dbraw/zinc/92/39/63/636923963.db2.gz LRQMCRZMNRCYLH-UHFFFAOYSA-N 0 0 278.830 3.195 20 10 CGCDRN CO[C@H](C)c1noc(CSc2ncc(Cl)s2)n1 ZINC000850000115 636924957 /nfs/dbraw/zinc/92/49/57/636924957.db2.gz JRHCPGPWBWWHIL-RXMQYKEDSA-N 0 0 291.785 3.179 20 10 CGCDRN Cc1cc(C(=O)NCc2ccccc2O)sc1C ZINC000133794023 636978191 /nfs/dbraw/zinc/97/81/91/636978191.db2.gz CBUDKOLVVRDAOP-UHFFFAOYSA-N 0 0 261.346 3.001 20 10 CGCDRN C[C@H]([NH2+]CC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000134912205 637050241 /nfs/dbraw/zinc/05/02/41/637050241.db2.gz CWKABGUECNTYOA-ZETCQYMHSA-N 0 0 288.160 3.354 20 10 CGCDRN CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000850494578 637090302 /nfs/dbraw/zinc/09/03/02/637090302.db2.gz QMDGWOUYWQXGLL-BXUZGUMPSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(F)cc1[O-] ZINC000850552556 637119057 /nfs/dbraw/zinc/11/90/57/637119057.db2.gz NVRLWXRICPDCKO-UFBFGSQYSA-N 0 0 273.298 3.473 20 10 CGCDRN CCC1(C(=O)NCc2ccc(N)cc2)CCC(F)(F)CC1 ZINC000850711691 637135144 /nfs/dbraw/zinc/13/51/44/637135144.db2.gz QQCLJEXTZKQTSQ-UHFFFAOYSA-N 0 0 296.361 3.491 20 10 CGCDRN CCOc1ccc(N(C)Cc2cccc(F)n2)cc1 ZINC000851780329 637500980 /nfs/dbraw/zinc/50/09/80/637500980.db2.gz GWUASEVFPJRAHO-UHFFFAOYSA-N 0 0 260.312 3.256 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1c([O-])cccc1F ZINC000886523249 637550387 /nfs/dbraw/zinc/55/03/87/637550387.db2.gz ZHDJQDVZMFCELJ-LBPRGKRZSA-N 0 0 288.366 3.448 20 10 CGCDRN Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526257 637553808 /nfs/dbraw/zinc/55/38/08/637553808.db2.gz IFJDZEUSXNTFOY-LRDDRELGSA-N 0 0 289.350 3.224 20 10 CGCDRN Cc1nc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)sc1C ZINC000886540417 637564795 /nfs/dbraw/zinc/56/47/95/637564795.db2.gz DUUMDZCYOIKRSI-JTQLQIEISA-N 0 0 294.395 3.498 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000886552363 637578137 /nfs/dbraw/zinc/57/81/37/637578137.db2.gz ZWTLWKNRYJQPPH-VXGBXAGGSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000886555687 637579038 /nfs/dbraw/zinc/57/90/38/637579038.db2.gz YVPXSDFSZGAXDD-WDEREUQCSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886587746 637593108 /nfs/dbraw/zinc/59/31/08/637593108.db2.gz DYSFFVSWAZUJDC-FRRDWIJNSA-N 0 0 281.371 3.387 20 10 CGCDRN COC1CCC([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886623447 637614772 /nfs/dbraw/zinc/61/47/72/637614772.db2.gz DKGBFRQQNLTIJJ-VOMCLLRMSA-N 0 0 267.344 3.140 20 10 CGCDRN CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886625621 637615947 /nfs/dbraw/zinc/61/59/47/637615947.db2.gz WAUAGUGRDJCGSQ-USBNGQNGSA-N 0 0 281.371 3.386 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1c([O-])cccc1F ZINC000886649589 637630316 /nfs/dbraw/zinc/63/03/16/637630316.db2.gz DRNMDCNONDBXLL-JUFZMCDQSA-N 0 0 279.355 3.140 20 10 CGCDRN CCN(C)c1ccc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)cc1 ZINC000852444057 637652848 /nfs/dbraw/zinc/65/28/48/637652848.db2.gz NONSSGMHBDODKH-OAHLLOKOSA-N 0 0 288.435 3.286 20 10 CGCDRN CC[C@@H](C)CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000111845290 637975618 /nfs/dbraw/zinc/97/56/18/637975618.db2.gz OULPKGHIJTVHRJ-GFCCVEGCSA-N 0 0 295.402 3.079 20 10 CGCDRN CC1(C)CC[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000854134021 637991990 /nfs/dbraw/zinc/99/19/90/637991990.db2.gz LJANODLKHOBTKN-LBPRGKRZSA-N 0 0 257.337 3.146 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](C2CCCCC2)C1 ZINC000855637314 638227303 /nfs/dbraw/zinc/22/73/03/638227303.db2.gz XZOIGNIUJXLCLH-CYBMUJFWSA-N 0 0 289.375 3.140 20 10 CGCDRN O=C(Cc1cccc(F)c1)NCc1cc(Cl)ccc1O ZINC000857547364 638516454 /nfs/dbraw/zinc/51/64/54/638516454.db2.gz AJSBAEQAIAFPFJ-UHFFFAOYSA-N 0 0 293.725 3.044 20 10 CGCDRN Cc1cccnc1NCc1cc(F)c(N(C)C)cc1F ZINC000858102140 638628223 /nfs/dbraw/zinc/62/82/23/638628223.db2.gz SLGGHJAWIWKFCT-UHFFFAOYSA-N 0 0 277.318 3.346 20 10 CGCDRN CCC[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)OCC ZINC000858210457 638658089 /nfs/dbraw/zinc/65/80/89/638658089.db2.gz QYHIXABYCFUOQN-JTQLQIEISA-N 0 0 289.778 3.480 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000858445369 638722082 /nfs/dbraw/zinc/72/20/82/638722082.db2.gz HKNCMJXBGHOZHZ-QWRGUYRKSA-N 0 0 285.334 3.138 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(Cl)c1[O-] ZINC000858563105 638762625 /nfs/dbraw/zinc/76/26/25/638762625.db2.gz NACLUYTXQTYTLG-ZDUSSCGKSA-N 0 0 292.766 3.387 20 10 CGCDRN CCC(CC)(CC)C(=O)NCc1c(O)cccc1F ZINC000928705668 638889261 /nfs/dbraw/zinc/88/92/61/638889261.db2.gz MQWYDRJTDOYKCB-UHFFFAOYSA-N 0 0 267.344 3.364 20 10 CGCDRN C[C@@H]1[C@@H](C(=O)NCc2c(O)cccc2F)[C@H]1c1ccccc1 ZINC000928708391 638889314 /nfs/dbraw/zinc/88/93/14/638889314.db2.gz KLMHSFAQLQGLTG-YMRXKLBXSA-N 0 0 299.345 3.197 20 10 CGCDRN Cc1noc(C(C)C)c1NC(=O)c1ccc(C)c(O)c1O ZINC000928785793 638891947 /nfs/dbraw/zinc/89/19/47/638891947.db2.gz HVTBVTZVLLTFRV-UHFFFAOYSA-N 0 0 290.319 3.078 20 10 CGCDRN CCc1ncc(CN(CC)c2ccc(OC)c(OC)c2)o1 ZINC000929896202 638959919 /nfs/dbraw/zinc/95/99/19/638959919.db2.gz BQOLYCXKKFTMOE-UHFFFAOYSA-N 0 0 290.363 3.281 20 10 CGCDRN C[C@H]1CC/C(=C/C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026863 639634461 /nfs/dbraw/zinc/63/44/61/639634461.db2.gz AZWZJOKBGDGXAV-IXJPEXDMSA-N 0 0 296.370 3.303 20 10 CGCDRN CC(C)(C)CC(C)(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000934938588 639721040 /nfs/dbraw/zinc/72/10/40/639721040.db2.gz GEPQLEPBVXWHRE-UHFFFAOYSA-N 0 0 293.407 3.219 20 10 CGCDRN CCCCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000935311982 639786198 /nfs/dbraw/zinc/78/61/98/639786198.db2.gz UFFZBAPENXSJHE-GFCCVEGCSA-N 0 0 291.391 3.115 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(N)cc1 ZINC000042611251 639919600 /nfs/dbraw/zinc/91/96/00/639919600.db2.gz IPYGBUNLJDEGEQ-RISCZKNCSA-N 0 0 261.369 3.311 20 10 CGCDRN CC[C@@H](Sc1nccs1)C(=O)NCc1ccccc1 ZINC000048875362 640074388 /nfs/dbraw/zinc/07/43/88/640074388.db2.gz JMKLGUXLEJGXJM-GFCCVEGCSA-N 0 0 292.429 3.330 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)Nc1cccc(F)c1 ZINC000048875044 640074944 /nfs/dbraw/zinc/07/49/44/640074944.db2.gz BBCIPUBBAQHCJY-QMMMGPOBSA-N 0 0 282.365 3.402 20 10 CGCDRN CCC(C)(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159953 640122188 /nfs/dbraw/zinc/12/21/88/640122188.db2.gz QRAHVXNBHASCCK-UHFFFAOYSA-N 0 0 275.392 3.323 20 10 CGCDRN CCC[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159807 640123100 /nfs/dbraw/zinc/12/31/00/640123100.db2.gz MTEOWXDDYKCWTO-GFCCVEGCSA-N 0 0 275.392 3.323 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCc1ncccn1 ZINC000190982831 640282248 /nfs/dbraw/zinc/28/22/48/640282248.db2.gz FTHFQCMFKPSPGN-UHFFFAOYSA-N 0 0 282.372 3.169 20 10 CGCDRN CSC[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000191127446 640291456 /nfs/dbraw/zinc/29/14/56/640291456.db2.gz OCCAFLBAKSCPEA-ZETCQYMHSA-N 0 0 263.765 3.026 20 10 CGCDRN CCn1nccc1CN(C)c1ccc(OC(C)C)cc1 ZINC000192036899 640347043 /nfs/dbraw/zinc/34/70/43/640347043.db2.gz PWUJSTOYVVQNIA-UHFFFAOYSA-N 0 0 273.380 3.327 20 10 CGCDRN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccccc1O ZINC000192743506 640401113 /nfs/dbraw/zinc/40/11/13/640401113.db2.gz QIPZIRGZJNMVGM-GHMZBOCLSA-N 0 0 298.342 3.285 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)OCC2CC2)cc1 ZINC000192861332 640411583 /nfs/dbraw/zinc/41/15/83/640411583.db2.gz VBCIQTLGFGWPIW-UHFFFAOYSA-N 0 0 276.380 3.169 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(-c3ccccn3)s2)c1 ZINC000193329159 640449393 /nfs/dbraw/zinc/44/93/93/640449393.db2.gz GGMZHYALYBIDBN-UHFFFAOYSA-N 0 0 298.371 3.226 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CC=CCC1 ZINC000080122479 640450017 /nfs/dbraw/zinc/45/00/17/640450017.db2.gz SFOAPAZSZZMERF-NSHDSACASA-N 0 0 282.181 3.353 20 10 CGCDRN CC(=O)c1cc(C(=O)N(C)Cc2ccccc2O)ccc1C ZINC000194323821 640526284 /nfs/dbraw/zinc/52/62/84/640526284.db2.gz LDPQJLCXQILZOH-UHFFFAOYSA-N 0 0 297.354 3.175 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246609905 640684673 /nfs/dbraw/zinc/68/46/73/640684673.db2.gz WSHSFOFZYUCIKP-HWWDLCQESA-N 0 0 299.414 3.323 20 10 CGCDRN CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000248528115 640766518 /nfs/dbraw/zinc/76/65/18/640766518.db2.gz VYULYWOTYBZQCU-OCCSQVGLSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1c2nc(-c3ccc(O)c(O)c3)[nH]c2ccc1F ZINC001250464992 805632397 /nfs/dbraw/zinc/63/23/97/805632397.db2.gz RXBWXLAKHKVEOP-UHFFFAOYSA-N 0 0 258.252 3.089 20 10 CGCDRN CC1(C)CCC(C(=O)NCc2c(O)cccc2F)CC1 ZINC001156170276 805662067 /nfs/dbraw/zinc/66/20/67/805662067.db2.gz JQNWKUFKWANWRL-UHFFFAOYSA-N 0 0 279.355 3.364 20 10 CGCDRN C[C@H](C(=O)NCc1c(O)cccc1F)c1ccccc1F ZINC001156170037 805662132 /nfs/dbraw/zinc/66/21/32/805662132.db2.gz CYOVRWXBEWZPAA-JTQLQIEISA-N 0 0 291.297 3.090 20 10 CGCDRN CCCc1ccnc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156921175 805753358 /nfs/dbraw/zinc/75/33/58/805753358.db2.gz UQUGRONJCXRZKX-UHFFFAOYSA-N 0 0 284.407 3.132 20 10 CGCDRN COC(=O)c1sc(C)cc1Nc1ccc(N)cc1 ZINC001159152676 806052462 /nfs/dbraw/zinc/05/24/62/806052462.db2.gz BEKQGCRMQAZTSP-UHFFFAOYSA-N 0 0 262.334 3.169 20 10 CGCDRN COc1cc(Nc2ccc(N)cc2)ncc1C(F)(F)F ZINC001159416136 806097314 /nfs/dbraw/zinc/09/73/14/806097314.db2.gz KDTODLIAZRSCSB-UHFFFAOYSA-N 0 0 283.253 3.435 20 10 CGCDRN COC(=O)c1cc(F)c(F)cc1Nc1ccc(N)cc1 ZINC001159484610 806110746 /nfs/dbraw/zinc/11/07/46/806110746.db2.gz NEEGQACVZJHKBM-UHFFFAOYSA-N 0 0 278.258 3.077 20 10 CGCDRN CCOc1ncc(Cl)cc1Nc1ccc(N)cc1 ZINC001159485288 806112235 /nfs/dbraw/zinc/11/22/35/806112235.db2.gz KIXDVCGVNUVKME-UHFFFAOYSA-N 0 0 263.728 3.460 20 10 CGCDRN CCC[C@H](O)CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001252793237 806118019 /nfs/dbraw/zinc/11/80/19/806118019.db2.gz IQCGCDNAZBNKLC-LBPRGKRZSA-N 0 0 281.355 3.471 20 10 CGCDRN COC(=O)c1cc(C)c(Nc2ccc(N)cc2)c(C)c1 ZINC001159694018 806154079 /nfs/dbraw/zinc/15/40/79/806154079.db2.gz BRRTYSFHDJNOOU-UHFFFAOYSA-N 0 0 270.332 3.416 20 10 CGCDRN Cc1cncc(NCc2cc3ccccc3cc2O)n1 ZINC001160207920 806235400 /nfs/dbraw/zinc/23/54/00/806235400.db2.gz WPHJOFIWOFPYBG-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN CCc1ncnc(Cl)c1NCc1cccc(C)c1O ZINC001160765246 806300114 /nfs/dbraw/zinc/30/01/14/806300114.db2.gz XUUGIBKQVXHKFC-UHFFFAOYSA-N 0 0 277.755 3.319 20 10 CGCDRN Cc1cc(C)c(CNc2ncnc(C)c2C)c(O)c1 ZINC001160810556 806306308 /nfs/dbraw/zinc/30/63/08/806306308.db2.gz SGKCUUOWMKWAFV-UHFFFAOYSA-N 0 0 257.337 3.028 20 10 CGCDRN CSc1cnc(Cl)nc1NCc1ccc(N)cc1 ZINC001162785352 806664394 /nfs/dbraw/zinc/66/43/94/806664394.db2.gz ASILHDYDMPNZBG-UHFFFAOYSA-N 0 0 280.784 3.046 20 10 CGCDRN CCOc1cc(Cl)nc(NCc2ccc(N)cc2)c1 ZINC001162785841 806665521 /nfs/dbraw/zinc/66/55/21/806665521.db2.gz LNVISZQFKULXRK-UHFFFAOYSA-N 0 0 277.755 3.328 20 10 CGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H]2CCCC[C@H]12 ZINC000037811192 798876128 /nfs/dbraw/zinc/87/61/28/798876128.db2.gz UCSVOPQBAWTDKG-KBRIMQKVSA-N 0 0 286.419 3.239 20 10 CGCDRN CC[C@H](CSC)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000091097053 798953162 /nfs/dbraw/zinc/95/31/62/798953162.db2.gz PZJVVUCVOSHBIZ-CYBMUJFWSA-N 0 0 299.411 3.307 20 10 CGCDRN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000166987030 799086160 /nfs/dbraw/zinc/08/61/60/799086160.db2.gz IBYFRGZFHFUFOC-UTUOFQBUSA-N 0 0 261.369 3.167 20 10 CGCDRN C[C@H](Nc1cccc(CCO)c1)c1ccccc1O ZINC000313195922 799231088 /nfs/dbraw/zinc/23/10/88/799231088.db2.gz LWMMHDBHXSNYPR-LBPRGKRZSA-N 0 0 257.333 3.100 20 10 CGCDRN COc1cc(C)ccc1-c1noc(-c2ccc(O)c(O)c2)n1 ZINC000318463686 799245491 /nfs/dbraw/zinc/24/54/91/799245491.db2.gz WWMOHCUTBCMORZ-UHFFFAOYSA-N 0 0 298.298 3.132 20 10 CGCDRN Nc1ccc(Cc2nc([C@H]3CCC(F)(F)C3)no2)cc1 ZINC000379598375 799350863 /nfs/dbraw/zinc/35/08/63/799350863.db2.gz YCRQACIRGGDSHK-JTQLQIEISA-N 0 0 279.290 3.145 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])[C@H]1C ZINC000390501793 799471608 /nfs/dbraw/zinc/47/16/08/799471608.db2.gz UZXLZFCKHJXKBS-VDDIYKPWSA-N 0 0 284.197 3.289 20 10 CGCDRN C[C@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC000398094401 799525476 /nfs/dbraw/zinc/52/54/76/799525476.db2.gz ZVZVIVXFZWEYFD-KWQFWETISA-N 0 0 290.190 3.356 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403483653 799566536 /nfs/dbraw/zinc/56/65/36/799566536.db2.gz SVINARBBTVNLQM-YUSALJHKSA-N 0 0 251.757 3.324 20 10 CGCDRN CC[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000403842043 799571863 /nfs/dbraw/zinc/57/18/63/799571863.db2.gz SXYUNYLITCSPSW-JQWIXIFHSA-N 0 0 269.772 3.045 20 10 CGCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC000588403631 799688716 /nfs/dbraw/zinc/68/87/16/799688716.db2.gz SNRGATYODPVNJG-DAXSKMNVSA-N 0 0 287.290 3.197 20 10 CGCDRN Cc1cc(F)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407397 799689793 /nfs/dbraw/zinc/68/97/93/799689793.db2.gz ZBXXCIDSRZSLDU-HYXAFXHYSA-N 0 0 287.290 3.197 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(F)cc1[O-] ZINC000688885160 799758463 /nfs/dbraw/zinc/75/84/63/799758463.db2.gz SLIVOWDEKXAJLQ-WZRBSPASSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1(F)F ZINC000689202757 799762138 /nfs/dbraw/zinc/76/21/38/799762138.db2.gz LGZRJHNYUZEZPB-LLVKDONJSA-N 0 0 261.699 3.181 20 10 CGCDRN CCOc1cccc(CN[C@H](C)c2cscn2)c1O ZINC000697855584 799849345 /nfs/dbraw/zinc/84/93/45/799849345.db2.gz XHSKPQWYYQUNRW-SNVBAGLBSA-N 0 0 278.377 3.098 20 10 CGCDRN COc1cc(Cl)cc(CN[C@@H](C)c2cscn2)c1O ZINC000697874286 799849362 /nfs/dbraw/zinc/84/93/62/799849362.db2.gz ZFVPHXXFLLAYQC-QMMMGPOBSA-N 0 0 298.795 3.362 20 10 CGCDRN [O-]c1c(CNc2ccccc2F)ccc(F)c1F ZINC000700720779 799877649 /nfs/dbraw/zinc/87/76/49/799877649.db2.gz IMKNLZAGUBWVJI-UHFFFAOYSA-N 0 0 253.223 3.422 20 10 CGCDRN C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000700726188 799878082 /nfs/dbraw/zinc/87/80/82/799878082.db2.gz VSRAGWKALQWCPG-ZJUUUORDSA-N 0 0 255.308 3.196 20 10 CGCDRN Cc1ccccc1SCC(=O)NCc1ccccc1O ZINC000701134778 799884003 /nfs/dbraw/zinc/88/40/03/799884003.db2.gz XLFIYROETCGRHZ-UHFFFAOYSA-N 0 0 287.384 3.109 20 10 CGCDRN [O-]c1c(C[NH2+][C@]23C[C@H]2CCCC3)ccc(F)c1F ZINC000703296572 799921374 /nfs/dbraw/zinc/92/13/74/799921374.db2.gz UMBQYAJPZSOXFS-QMTHXVAHSA-N 0 0 253.292 3.093 20 10 CGCDRN CS[C@@H]1CCCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000707266508 799976975 /nfs/dbraw/zinc/97/69/75/799976975.db2.gz UURGNEXKMBXOMM-CYBMUJFWSA-N 0 0 279.409 3.018 20 10 CGCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000708550087 799991655 /nfs/dbraw/zinc/99/16/55/799991655.db2.gz WCWRKNDWBQHORI-MRVPVSSYSA-N 0 0 284.331 3.020 20 10 CGCDRN CC(C)(C)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000710426342 800034805 /nfs/dbraw/zinc/03/48/05/800034805.db2.gz YYXNCWOZKZJOOR-LBPRGKRZSA-N 0 0 282.815 3.008 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cscc1Cl ZINC000711511684 800064692 /nfs/dbraw/zinc/06/46/92/800064692.db2.gz MRLGDVYJSBWUGU-UHFFFAOYSA-N 0 0 281.764 3.379 20 10 CGCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000713471310 800109652 /nfs/dbraw/zinc/10/96/52/800109652.db2.gz RABLTXQELILJLT-CHWSQXEVSA-N 0 0 281.783 3.093 20 10 CGCDRN Cc1nc(CNCc2c(O)cccc2Cl)sc1C ZINC000719527460 800241378 /nfs/dbraw/zinc/24/13/78/800241378.db2.gz IQGGRZRZDMACDE-UHFFFAOYSA-N 0 0 282.796 3.409 20 10 CGCDRN Cc1ccc(O)c(CNc2ncnc(-c3ccccc3)n2)c1 ZINC001163753878 806817953 /nfs/dbraw/zinc/81/79/53/806817953.db2.gz HEZOPQIRSSCXBJ-UHFFFAOYSA-N 0 0 292.342 3.165 20 10 CGCDRN CCCN(CCC)c1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])cc1 ZINC000840995769 800501447 /nfs/dbraw/zinc/50/14/47/800501447.db2.gz UESDXHYDJYKRPM-CQSZACIVSA-N 0 0 292.423 3.218 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(CCC(N)=O)cc2)c1 ZINC001116568722 802379264 /nfs/dbraw/zinc/37/92/64/802379264.db2.gz SUVJPSAGOBLTQV-ZDUSSCGKSA-N 0 0 298.386 3.292 20 10 CGCDRN O=C(NCCCCOc1ccccc1)C1=CC(=O)CS1 ZINC001118517372 802579260 /nfs/dbraw/zinc/57/92/60/802579260.db2.gz VQFJXDDNBMGOLW-UHFFFAOYSA-N 0 0 291.372 3.043 20 10 CGCDRN COc1ccc(N(C)Cc2c(C3CCC3)cnn2C)cc1 ZINC001118640593 802591954 /nfs/dbraw/zinc/59/19/54/802591954.db2.gz KZLJUXDDJXXOSF-UHFFFAOYSA-N 0 0 285.391 3.333 20 10 CGCDRN C[C@H](NC(=O)C(C)(C)Oc1ccccc1)c1ccccc1O ZINC001119049407 802629056 /nfs/dbraw/zinc/62/90/56/802629056.db2.gz KUQNPLIJQNYJNT-ZDUSSCGKSA-N 0 0 299.370 3.427 20 10 CGCDRN CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1 ZINC001120591160 802751320 /nfs/dbraw/zinc/75/13/20/802751320.db2.gz UHZUSLNHHKWKAR-QGZVFWFLSA-N 0 0 297.402 3.089 20 10 CGCDRN CO[C@H]1CC=C(c2ccc(N3CCOCC3)c(C)c2)CC1 ZINC001243804747 803020636 /nfs/dbraw/zinc/02/06/36/803020636.db2.gz DIIUDOJGPUGLLY-KRWDZBQOSA-N 0 0 287.403 3.414 20 10 CGCDRN Cc1ccccc1[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001124480701 803026277 /nfs/dbraw/zinc/02/62/77/803026277.db2.gz UOQNUKZDFMHSKH-OAHLLOKOSA-N 0 0 296.414 3.481 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N1CCc2cccc(F)c21 ZINC001126987647 803123137 /nfs/dbraw/zinc/12/31/37/803123137.db2.gz WNLLZBSISBBEPL-BQYQJAHWSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1cncc(-c2ccc3ccc(=O)n(C)c3c2)c1C ZINC001244153671 803213742 /nfs/dbraw/zinc/21/37/42/803213742.db2.gz XQMRFIWYGROAQL-UHFFFAOYSA-N 0 0 264.328 3.217 20 10 CGCDRN CC(C)Cn1ccc(-c2cc(F)c(F)c(F)c2N)cc1=O ZINC001244178841 803227603 /nfs/dbraw/zinc/22/76/03/803227603.db2.gz JNLVAKLWBIWJOC-UHFFFAOYSA-N 0 0 296.292 3.171 20 10 CGCDRN CCOc1ncc(-c2nc(C)nc3c2ccn3C)cc1C ZINC001244681140 803491365 /nfs/dbraw/zinc/49/13/65/803491365.db2.gz FISFNPASGPMTHY-UHFFFAOYSA-N 0 0 282.347 3.046 20 10 CGCDRN Cc1cc2ccccc2nc1C(=O)NCc1ccccc1O ZINC001137471767 803736114 /nfs/dbraw/zinc/73/61/14/803736114.db2.gz ZTNQCFJOUUAKRT-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN C[C@@H]1CCN(Cc2c(O)cccc2F)CC1(F)F ZINC001137832938 803776752 /nfs/dbraw/zinc/77/67/52/803776752.db2.gz MUSNZQJXPDWWOL-SECBINFHSA-N 0 0 259.271 3.008 20 10 CGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(C(F)F)CC1 ZINC001137838728 803780489 /nfs/dbraw/zinc/78/04/89/803780489.db2.gz JEBALJWAUZUJOX-UHFFFAOYSA-N 0 0 259.271 3.008 20 10 CGCDRN [O-]c1cccc(F)c1C[NH+]1CC(c2ccccc2)C1 ZINC001137838636 803781132 /nfs/dbraw/zinc/78/11/32/803781132.db2.gz DVRKWTLMUDVROE-UHFFFAOYSA-N 0 0 257.308 3.131 20 10 CGCDRN [O-]c1cccc(F)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC001137837299 803781184 /nfs/dbraw/zinc/78/11/84/803781184.db2.gz AHZABCMWMWKULB-UHFFFAOYSA-N 0 0 286.350 3.306 20 10 CGCDRN CN1CCCc2cc(CN3CCc4ncsc4C3)ccc21 ZINC001138355759 803901215 /nfs/dbraw/zinc/90/12/15/803901215.db2.gz CAWJPDSPODUMQI-UHFFFAOYSA-N 0 0 299.443 3.084 20 10 CGCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccn1 ZINC001138363584 803905497 /nfs/dbraw/zinc/90/54/97/803905497.db2.gz OQXQNANJUFDZHM-KGLIPLIRSA-N 0 0 297.402 3.129 20 10 CGCDRN COc1cccc(F)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001138386665 803913898 /nfs/dbraw/zinc/91/38/98/803913898.db2.gz PGIFPFAEQJCSAC-UHFFFAOYSA-N 0 0 287.334 3.098 20 10 CGCDRN Oc1ccc(Br)cc1Nc1ccncc1Cl ZINC001212153447 814984714 /nfs/dbraw/zinc/98/47/14/814984714.db2.gz PSGBRLXOBBCHLC-UHFFFAOYSA-N 0 0 299.555 3.369 20 10 CGCDRN Nc1ccc(N(c2ccc(N)cc2)c2cc[nH]c(=O)c2)cc1 ZINC001212279950 815001270 /nfs/dbraw/zinc/00/12/70/815001270.db2.gz CLVPNSWWYYGVOJ-UHFFFAOYSA-N 0 0 292.342 3.421 20 10 CGCDRN [O-]c1c(F)ccc(F)c1CN1CCC[C@@H]1c1nccs1 ZINC001139685276 804251922 /nfs/dbraw/zinc/25/19/22/804251922.db2.gz DEDDIXJZTHZNPU-GFCCVEGCSA-N 0 0 296.342 3.464 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CCCC(F)(F)C1 ZINC001140461621 804441599 /nfs/dbraw/zinc/44/15/99/804441599.db2.gz NTXZCPMDWGNGEX-UHFFFAOYSA-N 0 0 261.699 3.277 20 10 CGCDRN Cc1cc2c(cn1)CN(Cc1ccc(Cl)cc1O)C2 ZINC001140465349 804443862 /nfs/dbraw/zinc/44/38/62/804443862.db2.gz KCDYLTCQNDWQPC-UHFFFAOYSA-N 0 0 274.751 3.265 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001140582796 804467021 /nfs/dbraw/zinc/46/70/21/804467021.db2.gz NARKLNXIRQLFCH-LBPRGKRZSA-N 0 0 295.251 3.240 20 10 CGCDRN Cc1ccc(O)c(CN(C)CC(=O)c2ccccc2)c1 ZINC001140623929 804478535 /nfs/dbraw/zinc/47/85/35/804478535.db2.gz XNCDGQCDEKHPGN-UHFFFAOYSA-N 0 0 269.344 3.015 20 10 CGCDRN Oc1cccc2c1C[N@H+](Cc1cccc3ccncc31)CC2 ZINC001140644154 804483308 /nfs/dbraw/zinc/48/33/08/804483308.db2.gz BEJQOQKMHPEHPL-UHFFFAOYSA-N 0 0 290.366 3.499 20 10 CGCDRN CN(C)c1ccc(C[N@H+](C)C2CCOCC2)c(Cl)c1 ZINC001140921270 804549061 /nfs/dbraw/zinc/54/90/61/804549061.db2.gz ALSLMHHWFZYLEQ-UHFFFAOYSA-N 0 0 282.815 3.017 20 10 CGCDRN CN(C)c1ccc(CN2CCOC[C@@H]2C2CC2)c(Cl)c1 ZINC001140926196 804550297 /nfs/dbraw/zinc/55/02/97/804550297.db2.gz HZTDEQDPNXITKU-MRXNPFEDSA-N 0 0 294.826 3.017 20 10 CGCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001140924689 804550912 /nfs/dbraw/zinc/55/09/12/804550912.db2.gz MMAHYAGAZNAMOT-BBRMVZONSA-N 0 0 294.826 3.017 20 10 CGCDRN CCCCC[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141032250 804575171 /nfs/dbraw/zinc/57/51/71/804575171.db2.gz XHOBLKSLFJGDGG-UHFFFAOYSA-N 0 0 267.369 3.031 20 10 CGCDRN CC(C)N(CCc1ccccc1)C(=O)c1cccc(O)c1O ZINC001142469922 804725271 /nfs/dbraw/zinc/72/52/71/804725271.db2.gz OTYHSSQODKUKMJ-UHFFFAOYSA-N 0 0 299.370 3.191 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CC[C@H](CF)C(F)(F)C1 ZINC001142508525 804727565 /nfs/dbraw/zinc/72/75/65/804727565.db2.gz BXGXNMQCFPYBJI-SECBINFHSA-N 0 0 295.251 3.097 20 10 CGCDRN Oc1cc(F)c(F)cc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001142508815 804727873 /nfs/dbraw/zinc/72/78/73/804727873.db2.gz MJVGBXLHVMANAI-GFCCVEGCSA-N 0 0 295.251 3.240 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001142520122 804729902 /nfs/dbraw/zinc/72/99/02/804729902.db2.gz BPRPWTAPKZSSBP-GFCCVEGCSA-N 0 0 290.313 3.055 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001142520752 804730716 /nfs/dbraw/zinc/73/07/16/804730716.db2.gz PCVOCBAABRRYJT-NSHDSACASA-N 0 0 290.313 3.055 20 10 CGCDRN O=C(CCCc1ccccc1)N1CCc2cccc(O)c2C1 ZINC001142887405 804780310 /nfs/dbraw/zinc/78/03/10/804780310.db2.gz UVPNWRAFEYFLMZ-UHFFFAOYSA-N 0 0 295.382 3.300 20 10 CGCDRN CN(Cc1nc(C2CC2)cs1)Cc1ccccc1O ZINC001249530144 805169175 /nfs/dbraw/zinc/16/91/75/805169175.db2.gz ZNUFCECIXNVYPE-UHFFFAOYSA-N 0 0 274.389 3.358 20 10 CGCDRN Cc1cc(N2CCOCC2)ccc1CCOc1ccccc1 ZINC001249936091 805314825 /nfs/dbraw/zinc/31/48/25/805314825.db2.gz XXDNBUNQYGPNIA-UHFFFAOYSA-N 0 0 297.398 3.453 20 10 CGCDRN C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1O ZINC001151885936 805318661 /nfs/dbraw/zinc/31/86/61/805318661.db2.gz OBFFKRXFEFQECF-MRVPVSSYSA-N 0 0 265.696 3.130 20 10 CGCDRN O=C(NCc1ccccc1O)c1scc2c1CCCC2 ZINC001153628618 805408655 /nfs/dbraw/zinc/40/86/55/805408655.db2.gz VTHHCWYZOWUUTO-UHFFFAOYSA-N 0 0 287.384 3.263 20 10 CGCDRN CCc1cc(Nc2cccc(O)c2O)ccc1OC ZINC001250175850 805463188 /nfs/dbraw/zinc/46/31/88/805463188.db2.gz JSYBQNBKJXZOPR-UHFFFAOYSA-N 0 0 259.305 3.412 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(N[C@](C)(C(N)=O)C(C)C)cc1 ZINC001167415391 807191797 /nfs/dbraw/zinc/19/17/97/807191797.db2.gz OTMQFQGMXMWPDB-SFHVURJKSA-N 0 0 299.418 3.406 20 10 CGCDRN CC1=Cc2cccc(NCCc3cc(O)c(O)cc3O)c2C1 ZINC001168005224 807298633 /nfs/dbraw/zinc/29/86/33/807298633.db2.gz AWWFXESLAUGRIM-UHFFFAOYSA-N 0 0 297.354 3.417 20 10 CGCDRN Oc1cc(O)c(CCNc2cnc3ccccc3c2)cc1O ZINC001168009615 807301271 /nfs/dbraw/zinc/30/12/71/807301271.db2.gz LTOWVLGRQIGFOS-UHFFFAOYSA-N 0 0 296.326 3.006 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC3(CCC3)CO2)c(OC)c1 ZINC001168317123 807381857 /nfs/dbraw/zinc/38/18/57/807381857.db2.gz IORYTJIQYVHRRL-AWEZNQCLSA-N 0 0 291.391 3.099 20 10 CGCDRN COc1ncc(Nc2ccc(N)cc2)cc1C(F)(F)F ZINC001212801775 815142611 /nfs/dbraw/zinc/14/26/11/815142611.db2.gz LCMVZGZJMAEJHC-UHFFFAOYSA-N 0 0 283.253 3.435 20 10 CGCDRN Oc1ccc(CNc2ccc(-c3cccnc3)nc2)cc1O ZINC001169994843 807735118 /nfs/dbraw/zinc/73/51/18/807735118.db2.gz KFWHMVPYVKLLIL-UHFFFAOYSA-N 0 0 293.326 3.167 20 10 CGCDRN Oc1ccc(CNc2nccc3sccc32)cc1O ZINC001169992778 807735500 /nfs/dbraw/zinc/73/55/00/807735500.db2.gz FJTKCKZTGSDLHG-UHFFFAOYSA-N 0 0 272.329 3.320 20 10 CGCDRN O=[N+]([O-])c1cc(NCc2ccc(O)c(O)c2)cc2cc[nH]c21 ZINC001169995220 807736419 /nfs/dbraw/zinc/73/64/19/807736419.db2.gz URPCEXVHWLHRKD-UHFFFAOYSA-N 0 0 299.286 3.099 20 10 CGCDRN Cc1cc(NCc2ccc(O)c(O)c2)cc(OC(F)F)n1 ZINC001169997145 807736612 /nfs/dbraw/zinc/73/66/12/807736612.db2.gz SMONPDPTKNLKBS-UHFFFAOYSA-N 0 0 296.273 3.015 20 10 CGCDRN Cc1cc(NCc2ccc(O)c(O)c2)cnc1OC(C)C ZINC001169996709 807736742 /nfs/dbraw/zinc/73/67/42/807736742.db2.gz HNBWIPYFRNSUBH-UHFFFAOYSA-N 0 0 288.347 3.201 20 10 CGCDRN CC(=O)N[C@H]1C[C@H](Nc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001170584875 807860263 /nfs/dbraw/zinc/86/02/63/807860263.db2.gz GPUSLGPPUQFRHX-QAQDUYKDSA-N 0 0 297.402 3.173 20 10 CGCDRN Cc1cc(NCc2cc3ccccc3cc2O)ncn1 ZINC001171405213 808048173 /nfs/dbraw/zinc/04/81/73/808048173.db2.gz RTWGEVIUCGFOBM-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC001265241095 808124532 /nfs/dbraw/zinc/12/45/32/808124532.db2.gz LJBWLWZDIQTYQJ-JWAFFJSPSA-N 0 0 294.354 3.299 20 10 CGCDRN C[C@H](NC(=O)c1cn(C)c2ccccc12)c1ccccc1O ZINC001171730934 808127122 /nfs/dbraw/zinc/12/71/22/808127122.db2.gz SJGWRZTXVKLJHE-LBPRGKRZSA-N 0 0 294.354 3.375 20 10 CGCDRN Cc1cc(C)c2c(c1)CCCN2C(=O)/C=C/c1cn(C)cn1 ZINC001265674781 808168588 /nfs/dbraw/zinc/16/85/88/808168588.db2.gz NYNZFIGSPAWLSG-VOTSOKGWSA-N 0 0 295.386 3.030 20 10 CGCDRN Nc1ccc(N(c2ccccc2)c2cnc(N)nc2)cc1 ZINC001212965208 815190473 /nfs/dbraw/zinc/19/04/73/815190473.db2.gz LGLKFHDCWYSKTH-UHFFFAOYSA-N 0 0 277.331 3.111 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)c(F)c1 ZINC001275972493 808980361 /nfs/dbraw/zinc/98/03/61/808980361.db2.gz OXOWUJWPLKDBJO-XQRVVYSFSA-N 0 0 288.297 3.344 20 10 CGCDRN CN(c1ccc(N)cc1)c1cncc(C(F)(F)F)c1 ZINC001174745955 809150641 /nfs/dbraw/zinc/15/06/41/809150641.db2.gz ZVIQDZSMMRAISE-UHFFFAOYSA-N 0 0 267.254 3.451 20 10 CGCDRN C[C@H]1C[C@H]1n1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001291040547 809420367 /nfs/dbraw/zinc/42/03/67/809420367.db2.gz QVCMGUALEZWQKH-SMDDNHRTSA-N 0 0 298.390 3.078 20 10 CGCDRN CCCc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001175718446 809518531 /nfs/dbraw/zinc/51/85/31/809518531.db2.gz OENNKPDNDBJRGY-UHFFFAOYSA-N 0 0 270.376 3.352 20 10 CGCDRN O=C(c1ccc(CF)cc1)N1Cc2cccc(O)c2C1 ZINC001302787625 809601231 /nfs/dbraw/zinc/60/12/31/809601231.db2.gz PVNDDCNYXDRRAS-UHFFFAOYSA-N 0 0 271.291 3.018 20 10 CGCDRN O=C(NCc1c(O)cccc1F)c1cccc2cnccc21 ZINC001178412561 809864740 /nfs/dbraw/zinc/86/47/40/809864740.db2.gz AEIDYRYTRBAXRE-UHFFFAOYSA-N 0 0 296.301 3.010 20 10 CGCDRN C=C(F)C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001180122460 809976387 /nfs/dbraw/zinc/97/63/87/809976387.db2.gz YNBIYHVLRKTICA-AWEZNQCLSA-N 0 0 277.339 3.232 20 10 CGCDRN Cc1cc(C)c(CNC(=O)[C@@H](F)c2ccccc2)c(O)c1 ZINC001180153737 809980106 /nfs/dbraw/zinc/98/01/06/809980106.db2.gz RGYHLYCPAGXXGZ-INIZCTEOSA-N 0 0 287.334 3.336 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1cccc(Cl)c1O ZINC001180410521 809999048 /nfs/dbraw/zinc/99/90/48/809999048.db2.gz RCMNOYNYHXOJSZ-GHMZBOCLSA-N 0 0 281.783 3.488 20 10 CGCDRN Oc1c(F)cc(F)cc1CN1CCc2c1cccc2F ZINC001180613187 810014387 /nfs/dbraw/zinc/01/43/87/810014387.db2.gz PCWRPAOQHDKBMZ-UHFFFAOYSA-N 0 0 279.261 3.372 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001183920165 810169755 /nfs/dbraw/zinc/16/97/55/810169755.db2.gz VWYYETJJLHRDCR-KBPBESRZSA-N 0 0 271.335 3.425 20 10 CGCDRN CCc1ncnc(Sc2ncc(Cl)s2)c1F ZINC001187168381 810388293 /nfs/dbraw/zinc/38/82/93/810388293.db2.gz OSVHJPYATNBCBM-UHFFFAOYSA-N 0 0 275.761 3.439 20 10 CGCDRN COc1ccc(N(C)Cc2ccnc(F)c2)cc1F ZINC001191892110 810754412 /nfs/dbraw/zinc/75/44/12/810754412.db2.gz TZINBUDOGFOLBI-UHFFFAOYSA-N 0 0 264.275 3.005 20 10 CGCDRN CCCCCNC(=O)N(CC)Cc1ccccc1O ZINC001193316679 810871072 /nfs/dbraw/zinc/87/10/72/810871072.db2.gz KVAZNJAXIPMYRV-UHFFFAOYSA-N 0 0 264.369 3.114 20 10 CGCDRN 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20 10 CGCDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)C(C)(C)C ZINC001347776011 936895401 /nfs/dbraw/zinc/89/54/01/936895401.db2.gz OYAMYWJJAMFXPT-NSHDSACASA-N 0 0 255.383 3.398 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC1CC1 ZINC001349106410 936943092 /nfs/dbraw/zinc/94/30/92/936943092.db2.gz IMIHTVZXZAFVCV-UHFFFAOYSA-N 0 0 272.392 3.045 20 10 CGCDRN C/C(=C\c1ccco1)C(=O)NCc1ccc(N(C)C)cc1 ZINC001352216513 937039065 /nfs/dbraw/zinc/03/90/65/937039065.db2.gz XADDVNJNWVGVIN-ACCUITESSA-N 0 0 284.359 3.065 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)OC1CCCCC1)c1ccccc1O ZINC001352252368 937040048 /nfs/dbraw/zinc/04/00/48/937040048.db2.gz KCCCCOOUAGCNHQ-CHWSQXEVSA-N 0 0 291.391 3.307 20 10 CGCDRN CC[N@H+](CCc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC001353581158 937070502 /nfs/dbraw/zinc/07/05/02/937070502.db2.gz JMJBADRNOAJUFS-UHFFFAOYSA-N 0 0 292.329 3.130 20 10 CGCDRN C/C=C/C=C\C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353909813 937081701 /nfs/dbraw/zinc/08/17/01/937081701.db2.gz CCVSMQRYVMDSMO-LHOHZTISSA-N 0 0 284.403 3.378 20 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CGCDRN Cc1cnc(Cl)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001454808125 937412776 /nfs/dbraw/zinc/41/27/76/937412776.db2.gz TWJJHPMZSZDISR-SNVBAGLBSA-N 0 0 290.750 3.240 20 10 CGCDRN C[C@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001456029387 937424702 /nfs/dbraw/zinc/42/47/02/937424702.db2.gz NAEJSWIJBMJZIC-GFCCVEGCSA-N 0 0 287.334 3.026 20 10 CGCDRN Cc1ccc(O)c(CNc2nc3ccccc3nc2F)c1 ZINC001458495808 937465625 /nfs/dbraw/zinc/46/56/25/937465625.db2.gz HVXPPIYDWNSEBC-UHFFFAOYSA-N 0 0 283.306 3.395 20 10 CGCDRN Cc1cccc(CNc2ccc(-c3ccccn3)nn2)c1O ZINC001160770404 931984471 /nfs/dbraw/zinc/98/44/71/931984471.db2.gz VAVMBQUONWGEIN-UHFFFAOYSA-N 0 0 292.342 3.165 20 10 CGCDRN Cc1cc(Cl)ccc1C(=O)NCc1c(O)cccc1F ZINC001303878628 932835610 /nfs/dbraw/zinc/83/56/10/932835610.db2.gz QCYFZZXJINZYJP-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001462338822 937633749 /nfs/dbraw/zinc/63/37/49/937633749.db2.gz YBBNKEIFKSPSFF-BDAKNGLRSA-N 0 0 291.700 3.272 20 10 CGCDRN Cc1cc(O)c(C[NH2+][C@]23C[C@H]2CCC3)cc1Cl ZINC001462601410 937653139 /nfs/dbraw/zinc/65/31/39/937653139.db2.gz AXVRJNWWDXVTCU-BXUZGUMPSA-N 0 0 251.757 3.386 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cnn2ccccc12 ZINC001308480033 933117384 /nfs/dbraw/zinc/11/73/84/933117384.db2.gz YUTKEUXCRQEWNV-UHFFFAOYSA-N 0 0 273.723 3.305 20 10 CGCDRN Cc1ccc(CNc2cccc(N3CCOC3=O)c2)c(O)c1 ZINC001308632833 933146901 /nfs/dbraw/zinc/14/69/01/933146901.db2.gz MJSXEJKPDYMRBW-UHFFFAOYSA-N 0 0 298.342 3.269 20 10 CGCDRN COc1ccc(N(C)C[C@@](C)(OC)C2CC2)cc1F ZINC001308676749 933156098 /nfs/dbraw/zinc/15/60/98/933156098.db2.gz JPLXEALARWNDGU-OAHLLOKOSA-N 0 0 267.344 3.086 20 10 CGCDRN COc1ccc(N(C)Cc2cccc3c2OCC3)cc1F ZINC001308678527 933156515 /nfs/dbraw/zinc/15/65/15/933156515.db2.gz XAEZTXGWPQNLMW-UHFFFAOYSA-N 0 0 287.334 3.406 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001308975559 933219210 /nfs/dbraw/zinc/21/92/10/933219210.db2.gz DUEQGIWLDDXPRA-GAFUQQFSSA-N 0 0 251.757 3.324 20 10 CGCDRN O=C(Nc1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC001465184241 937698689 /nfs/dbraw/zinc/69/86/89/937698689.db2.gz SSWZCSBNFBVGMY-UHFFFAOYSA-N 0 0 272.279 3.079 20 10 CGCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C2CC2)cc1 ZINC001466498506 937709849 /nfs/dbraw/zinc/70/98/49/937709849.db2.gz DZKQOVSVGXZJPV-UHFFFAOYSA-N 0 0 283.327 3.156 20 10 CGCDRN CCn1cccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001467259654 937716609 /nfs/dbraw/zinc/71/66/09/937716609.db2.gz MBVOTYZMLFVCRC-CYBMUJFWSA-N 0 0 285.391 3.065 20 10 CGCDRN Cc1ccc(C(=O)NCC2(C)CCCCC2)c(O)c1O ZINC001468639396 937730284 /nfs/dbraw/zinc/73/02/84/937730284.db2.gz JKRHDXZWCBSJGI-UHFFFAOYSA-N 0 0 277.364 3.106 20 10 CGCDRN C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1ccccc1O ZINC001320017708 933978412 /nfs/dbraw/zinc/97/84/12/933978412.db2.gz YJEXQKBSQQFYKM-OAHLLOKOSA-N 0 0 296.414 3.323 20 10 CGCDRN CC(C)CCCCNC(=O)NCc1c(O)cccc1F ZINC001468958258 937733730 /nfs/dbraw/zinc/73/37/30/937733730.db2.gz BWUGCDBJVXMVIH-UHFFFAOYSA-N 0 0 282.359 3.157 20 10 CGCDRN Cc1coc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC001321873050 934220556 /nfs/dbraw/zinc/22/05/56/934220556.db2.gz QZXSTFJWYXYNJM-UHFFFAOYSA-N 0 0 298.386 3.427 20 10 CGCDRN C[C@@H](C(=O)NCc1ccccc1O)c1ccc(F)cc1F ZINC001322707884 934331486 /nfs/dbraw/zinc/33/14/86/934331486.db2.gz WFMBWJXYRVSRLE-SNVBAGLBSA-N 0 0 291.297 3.090 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2C=CCCC2)c(C)n1-c1ccccn1 ZINC001323798451 934427510 /nfs/dbraw/zinc/42/75/10/934427510.db2.gz RMUJSAQKPPLMLW-HNNXBMFYSA-N 0 0 295.386 3.328 20 10 CGCDRN COc1ccc(N(C)CCOCc2ccccc2)cc1F ZINC001473250335 937798948 /nfs/dbraw/zinc/79/89/48/937798948.db2.gz HZJHVMUCMCSRQH-UHFFFAOYSA-N 0 0 289.350 3.487 20 10 CGCDRN CCN(C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(OC)cc1 ZINC001473247123 937798972 /nfs/dbraw/zinc/79/89/72/937798972.db2.gz PMJZCLMKQYZRRH-COXVUDFISA-N 0 0 275.392 3.479 20 10 CGCDRN CS[C@@H](C)CCC(=O)Nc1c2nonc2ccc1Cl ZINC001325344226 934905948 /nfs/dbraw/zinc/90/59/48/934905948.db2.gz ASPFWXIOJXYKIZ-ZETCQYMHSA-N 0 0 299.783 3.346 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001326613459 934993834 /nfs/dbraw/zinc/99/38/34/934993834.db2.gz HTVDYTKNVKKSQH-QWRGUYRKSA-N 0 0 257.736 3.416 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001328025233 935111064 /nfs/dbraw/zinc/11/10/64/935111064.db2.gz LEAZCYQJEHHFQK-HIFRSBDPSA-N 0 0 292.398 3.206 20 10 CGCDRN C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)c1ccccc1O ZINC001329881496 935251911 /nfs/dbraw/zinc/25/19/11/935251911.db2.gz LHWIAMXTDVKWRX-SECBINFHSA-N 0 0 287.281 3.302 20 10 CGCDRN CN(C)c1ccc(CNC(=O)c2coc(C(F)F)c2)cc1 ZINC001330212553 935276498 /nfs/dbraw/zinc/27/64/98/935276498.db2.gz CZMHXKZWYYKVSF-UHFFFAOYSA-N 0 0 294.301 3.213 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccco1 ZINC001331789888 935409781 /nfs/dbraw/zinc/40/97/81/935409781.db2.gz NVVACZVSLIDFGF-ZDUSSCGKSA-N 0 0 286.375 3.156 20 10 CGCDRN Cc1csc(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC001331924376 935422114 /nfs/dbraw/zinc/42/21/14/935422114.db2.gz GIRHMYDVXXTMTJ-UHFFFAOYSA-N 0 0 298.358 3.158 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@@H](F)C2)ccc(F)c1F ZINC001333368788 935530141 /nfs/dbraw/zinc/53/01/41/935530141.db2.gz LZYXYLZSIWWVIT-NXEZZACHSA-N 0 0 259.271 3.041 20 10 CGCDRN C[C@H]1CC[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333750030 936063019 /nfs/dbraw/zinc/06/30/19/936063019.db2.gz VKTILCJCKQAACA-IUCAKERBSA-N 0 0 291.372 3.326 20 10 CGCDRN CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001333840846 936070486 /nfs/dbraw/zinc/07/04/86/936070486.db2.gz JKAYBSWLWVAVDU-UHFFFAOYSA-N 0 0 293.798 3.356 20 10 CGCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1ccc(N)cc1 ZINC001336290386 936187147 /nfs/dbraw/zinc/18/71/47/936187147.db2.gz MNSWDZGBNMTBDB-IVMMDQJWSA-N 0 0 287.407 3.131 20 10 CGCDRN Cc1cc(C(=O)N[C@H](C)C2(C)CC2)c(C)n1-c1ccccn1 ZINC001336731904 936211196 /nfs/dbraw/zinc/21/11/96/936211196.db2.gz NXMVVWVXJLUOST-CQSZACIVSA-N 0 0 297.402 3.408 20 10 CGCDRN CCC1(CC)CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337018982 936233002 /nfs/dbraw/zinc/23/30/02/936233002.db2.gz 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/nfs/dbraw/zinc/03/47/52/938034752.db2.gz VRAMQGRTKSURLV-HBWSCVEGSA-N 0 0 295.386 3.364 20 10 CGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001523554653 938040280 /nfs/dbraw/zinc/04/02/80/938040280.db2.gz XGRJYVRDKCXADN-CQSZACIVSA-N 0 0 286.419 3.291 20 10 CGCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(Cl)nc2)s1 ZINC001524726748 938045037 /nfs/dbraw/zinc/04/50/37/938045037.db2.gz DOTTYGXLSTVWPS-GQCTYLIASA-N 0 0 293.779 3.176 20 10 CGCDRN COCCN(C(=O)/C=C/c1cnccc1C)c1ccccc1 ZINC001525787343 938051484 /nfs/dbraw/zinc/05/14/84/938051484.db2.gz LDIAWIAZEMSCOS-CMDGGOBGSA-N 0 0 296.370 3.083 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccccc1F ZINC001527370981 938061226 /nfs/dbraw/zinc/06/12/26/938061226.db2.gz YIVRHOKQYCXGHH-ZRDIBKRKSA-N 0 0 270.307 3.287 20 10 CGCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2cc(F)ccc21 ZINC001538411909 938117700 /nfs/dbraw/zinc/11/77/00/938117700.db2.gz KSTYPTWNNBLVIP-FMIVXFBMSA-N 0 0 282.318 3.213 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 ZINC001540440370 938131360 /nfs/dbraw/zinc/13/13/60/938131360.db2.gz FPSKFBKDUXCKJJ-HZPDHXFCSA-N 0 0 288.435 3.393 20 10 CGCDRN CSc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001540538003 938131770 /nfs/dbraw/zinc/13/17/70/938131770.db2.gz UKZFELHDURNXGH-UHFFFAOYSA-N 0 0 289.356 3.001 20 10 CGCDRN Cc1cc2ccc(C(=O)N[C@H](C)c3ccccc3O)cn2c1 ZINC001557966554 938212956 /nfs/dbraw/zinc/21/29/56/938212956.db2.gz HNHHIYWKWFUMRB-CYBMUJFWSA-N 0 0 294.354 3.444 20 10 CGCDRN CO[C@@H](CN(C)c1ccc2c(c1)OCO2)C1CCCCC1 ZINC001559656386 938232235 /nfs/dbraw/zinc/23/22/35/938232235.db2.gz ILUXKJZBGDLAFZ-KRWDZBQOSA-N 0 0 291.391 3.447 20 10 CGCDRN Cc1cnc(CN(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001560815734 938277751 /nfs/dbraw/zinc/27/77/51/938277751.db2.gz MYNGBCQIDVGXTN-UHFFFAOYSA-N 0 0 285.391 3.215 20 10 CGCDRN Cc1cc(NC(=O)NCc2ccccc2O)cc(Cl)n1 ZINC001563308072 938301769 /nfs/dbraw/zinc/30/17/69/938301769.db2.gz QPNXUQZVBNDJQN-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN CC/C=C/CCN(C)c1ccc(OCC(=O)OC)cc1 ZINC000767841549 957857256 /nfs/dbraw/zinc/85/72/56/957857256.db2.gz AOTOVKAEZGFREF-AATRIKPKSA-N 0 0 277.364 3.031 20 10 CGCDRN CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001567113965 961115937 /nfs/dbraw/zinc/11/59/37/961115937.db2.gz QBMRVDYFNLARBZ-LBPRGKRZSA-N 0 0 299.370 3.460 20 10 CGCDRN C[C@H]([NH2+]CCC1(C(=O)[O-])CCC1)c1ccc(N(C)C)cc1 ZINC001573630881 962270629 /nfs/dbraw/zinc/27/06/29/962270629.db2.gz MTEVMCNSVRYMKS-ZDUSSCGKSA-N 0 0 290.407 3.048 20 10 CGCDRN Cc1ccc2oc(C(=O)N[C@H](C)c3ccccc3O)cc2n1 ZINC001587445275 963195784 /nfs/dbraw/zinc/19/57/84/963195784.db2.gz YQOPQAXMMDETBL-LLVKDONJSA-N 0 0 296.326 3.333 20 10 CGCDRN C[C@H]1Cc2ccccc2N1C(=O)C1=CC(=O)CS1 ZINC001587843786 963226322 /nfs/dbraw/zinc/22/63/22/963226322.db2.gz SMOBRQHZYITSJN-VIFPVBQESA-N 0 0 259.330 3.045 20 10 CGCDRN O=C(c1ccc2scnc2c1)N1Cc2cccc(O)c2C1 ZINC001587933103 963233664 /nfs/dbraw/zinc/23/36/64/963233664.db2.gz JWOCQDSWLPQFBP-UHFFFAOYSA-N 0 0 296.351 3.158 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cc(C(=O)[O-])ccc1O ZINC001593224837 994342872 /nfs/dbraw/zinc/34/28/72/994342872.db2.gz RLZTZGMNKUVDJJ-ZMLRMANQSA-N 0 0 281.327 3.022 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cc(C(=O)[O-])ccc1O ZINC001593353625 994984204 /nfs/dbraw/zinc/98/42/04/994984204.db2.gz CBDVETORZBVKHW-ZWKOPEQDSA-N 0 0 281.327 3.022 20 10 CGCDRN CN(C)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000049980479 345076310 /nfs/dbraw/zinc/07/63/10/345076310.db2.gz LJHGEBMMTXALBI-UHFFFAOYSA-N 0 0 289.310 3.412 20 10 CGCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)sc1C ZINC000048606729 345068131 /nfs/dbraw/zinc/06/81/31/345068131.db2.gz SREPQKYHVJONSI-UHFFFAOYSA-N 0 0 275.373 3.343 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)C ZINC000060335532 345213219 /nfs/dbraw/zinc/21/32/19/345213219.db2.gz RJUXWNSKOPVSON-UHFFFAOYSA-N 0 0 256.349 3.104 20 10 CGCDRN COc1cccc([C@@H](C)CC(=O)NCc2ccccc2O)c1 ZINC000084631513 345738904 /nfs/dbraw/zinc/73/89/04/345738904.db2.gz JSRQRFYHZFYXMN-ZDUSSCGKSA-N 0 0 299.370 3.211 20 10 CGCDRN COc1ccc(O)c(CNc2ncnc3ccc(C)cc32)c1 ZINC000092654510 345850012 /nfs/dbraw/zinc/85/00/12/345850012.db2.gz RYXLJZFYXCLSRS-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN CC1(C)C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000124863820 370929154 /nfs/dbraw/zinc/92/91/54/370929154.db2.gz KMTFBCSSVFDAPZ-NSHDSACASA-N 0 0 269.772 3.093 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187920651 299393243 /nfs/dbraw/zinc/39/32/43/299393243.db2.gz ITIFEAZBRSTGBX-PXWWUCIGSA-N 0 0 297.345 3.279 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCCc2ccccc21 ZINC000493514432 244177039 /nfs/dbraw/zinc/17/70/39/244177039.db2.gz KQHKPYVCWQQURB-FPLPWBNLSA-N 0 0 270.357 3.136 20 10 CGCDRN COc1cccc(CNc2ncccc2Cl)c1O ZINC000083480156 370006415 /nfs/dbraw/zinc/00/64/15/370006415.db2.gz AKAALMWJCOEBQA-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(F)cc1[O-] ZINC000133980065 371293846 /nfs/dbraw/zinc/29/38/46/371293846.db2.gz LTNQGNJOVJRGDS-IINYFYTJSA-N 0 0 269.385 3.468 20 10 CGCDRN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000290651671 372034371 /nfs/dbraw/zinc/03/43/71/372034371.db2.gz ZBZFAPSHOUTCIQ-HNNXBMFYSA-N 0 0 285.391 3.378 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000291974955 372178788 /nfs/dbraw/zinc/17/87/88/372178788.db2.gz UOCXTPZTHHOVIH-VIFPVBQESA-N 0 0 278.327 3.241 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCSCC1 ZINC000293681635 372447652 /nfs/dbraw/zinc/44/76/52/372447652.db2.gz RLGQRUKCCHIZMY-UHFFFAOYSA-N 0 0 275.776 3.124 20 10 CGCDRN CCOC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000293755598 372472138 /nfs/dbraw/zinc/47/21/38/372472138.db2.gz XGIZTSXAVQFDKJ-UHFFFAOYSA-N 0 0 283.799 3.485 20 10 CGCDRN Fc1cnc(Cl)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000295119763 372694955 /nfs/dbraw/zinc/69/49/55/372694955.db2.gz MYNWIHQFKCOMJC-UHFFFAOYSA-N 0 0 292.741 3.099 20 10 CGCDRN C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCN3C)c2nccn21 ZINC000297634819 373276661 /nfs/dbraw/zinc/27/66/61/373276661.db2.gz JMYPWZYLUMLKJK-CZUORRHYSA-N 0 0 296.418 3.061 20 10 CGCDRN CCc1oc(C(=O)OC)cc1CSc1nccs1 ZINC000176631856 373618534 /nfs/dbraw/zinc/61/85/34/373618534.db2.gz NDKYZTYIRIYNRU-UHFFFAOYSA-N 0 0 283.374 3.377 20 10 CGCDRN CC(C)(C)n1ncc2c1ncnc2Sc1nccs1 ZINC000301826549 373807091 /nfs/dbraw/zinc/80/70/91/373807091.db2.gz FEQQIEJQCAGKDT-UHFFFAOYSA-N 0 0 291.405 3.189 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCSC(F)(F)F ZINC000179787833 373917430 /nfs/dbraw/zinc/91/74/30/373917430.db2.gz AESLTKFLHHPXIB-UHFFFAOYSA-N 0 0 285.718 3.388 20 10 CGCDRN CCCCc1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000181659307 374152649 /nfs/dbraw/zinc/15/26/49/374152649.db2.gz VWMKCRMVEIHABL-UHFFFAOYSA-N 0 0 274.368 3.090 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c(O)c1O ZINC000181897643 374187964 /nfs/dbraw/zinc/18/79/64/374187964.db2.gz PBJBMEDDIVIEFJ-PWSUYJOCSA-N 0 0 277.364 3.057 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000187695115 375075215 /nfs/dbraw/zinc/07/52/15/375075215.db2.gz GVINZQNZUVNTOJ-IINYFYTJSA-N 0 0 299.361 3.262 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1coc(C)c1 ZINC000188504443 375223995 /nfs/dbraw/zinc/22/39/95/375223995.db2.gz HKPJGUSYPIHIJB-UHFFFAOYSA-N 0 0 273.332 3.346 20 10 CGCDRN Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000191201121 375594195 /nfs/dbraw/zinc/59/41/95/375594195.db2.gz HFDMQROSBACTPX-RKDXNWHRSA-N 0 0 295.333 3.124 20 10 CGCDRN CC(C)CC[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000193138467 375832305 /nfs/dbraw/zinc/83/23/05/375832305.db2.gz BFSRESPRSQTTDG-GFCCVEGCSA-N 0 0 277.364 3.139 20 10 CGCDRN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000193138551 375832706 /nfs/dbraw/zinc/83/27/06/375832706.db2.gz KHCBZTPEMAEGAQ-DGCLKSJQSA-N 0 0 277.364 3.139 20 10 CGCDRN CO[C@H](C)c1nc(CNCc2cc(C)ccc2O)cs1 ZINC000267620008 378043576 /nfs/dbraw/zinc/04/35/76/378043576.db2.gz KQLITZYNGSNHEM-LLVKDONJSA-N 0 0 292.404 3.154 20 10 CGCDRN O=C(NCc1ccccc1O)C1(Cc2ccccc2)CC1 ZINC000267895391 378046541 /nfs/dbraw/zinc/04/65/41/378046541.db2.gz ZSIJKBIHCDRLKW-UHFFFAOYSA-N 0 0 281.355 3.031 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NC1CC(C)C1 ZINC000267994666 378047589 /nfs/dbraw/zinc/04/75/89/378047589.db2.gz HVYCGVJUNOMCPR-UHFFFAOYSA-N 0 0 276.380 3.112 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](CC)O1 ZINC000268311906 378052555 /nfs/dbraw/zinc/05/25/55/378052555.db2.gz ZMBOBAPOOBXQTA-GDBMZVCRSA-N 0 0 291.391 3.088 20 10 CGCDRN CC[C@H](OC1CCCCC1)C(=O)NCc1ccccc1O ZINC000268557854 378073484 /nfs/dbraw/zinc/07/34/84/378073484.db2.gz JJJDBEMPVBBVCL-INIZCTEOSA-N 0 0 291.391 3.136 20 10 CGCDRN CC(C)(O)COc1ccc(NCc2ccccc2O)cc1 ZINC000269430813 378220979 /nfs/dbraw/zinc/22/09/79/378220979.db2.gz GYHWMXZJOVOOGV-UHFFFAOYSA-N 0 0 287.359 3.154 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271727466 378503351 /nfs/dbraw/zinc/50/33/51/378503351.db2.gz LZXWNKNWHNSYQR-LBPRGKRZSA-N 0 0 291.782 3.148 20 10 CGCDRN CC(C)c1nnc(NCc2c(O)cccc2Cl)o1 ZINC000272004833 378544233 /nfs/dbraw/zinc/54/42/33/378544233.db2.gz XJUHNPXNOYTAAL-UHFFFAOYSA-N 0 0 267.716 3.164 20 10 CGCDRN CN(C)c1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000271980536 378535722 /nfs/dbraw/zinc/53/57/22/378535722.db2.gz MRAYSRRCMNTXNP-UHFFFAOYSA-N 0 0 290.794 3.401 20 10 CGCDRN CCCN(CC(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272395138 378627151 /nfs/dbraw/zinc/62/71/51/378627151.db2.gz HHPSFDDHDUQQKQ-SOFGYWHQSA-N 0 0 277.364 3.006 20 10 CGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000272390150 378627272 /nfs/dbraw/zinc/62/72/72/378627272.db2.gz GRNBVDDLKCKGLP-UHFFFAOYSA-N 0 0 298.386 3.039 20 10 CGCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@@H](CCO)c1ccccc1 ZINC000272260733 378598669 /nfs/dbraw/zinc/59/86/69/378598669.db2.gz JXPOQPXGUHTSMR-INIZCTEOSA-N 0 0 289.350 3.087 20 10 CGCDRN C[C@H](CCC(C)(C)C)C(=O)NCc1ccccc1O ZINC000273286894 378740812 /nfs/dbraw/zinc/74/08/12/378740812.db2.gz BLSBAHWMSSZFAQ-GFCCVEGCSA-N 0 0 263.381 3.471 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(F)cc1[O-] ZINC000273361010 378742682 /nfs/dbraw/zinc/74/26/82/378742682.db2.gz AGYPKMVOQHXNNR-LBPRGKRZSA-N 0 0 288.366 3.448 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375215527 379487987 /nfs/dbraw/zinc/48/79/87/379487987.db2.gz XVAVVRBOUYWFFW-GOSISDBHSA-N 0 0 299.345 3.163 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000376388409 379545813 /nfs/dbraw/zinc/54/58/13/379545813.db2.gz RXIOZEJPOHOWPK-UHFFFAOYSA-N 0 0 281.783 3.094 20 10 CGCDRN Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC000731864347 572430460 /nfs/dbraw/zinc/43/04/60/572430460.db2.gz QZDYWSRTILPHPK-UHFFFAOYSA-N 0 0 251.282 3.154 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(F)cc1[O-] ZINC000286331892 380196148 /nfs/dbraw/zinc/19/61/48/380196148.db2.gz XYTZIYXLXFKASC-HNNXBMFYSA-N 0 0 275.323 3.478 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(F)cc1[O-] ZINC000285728369 380152155 /nfs/dbraw/zinc/15/21/55/380152155.db2.gz QMHVYRFIWXNUPQ-HRCADAONSA-N 0 0 292.398 3.199 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1ccnc(C(C)C)n1 ZINC000359840752 381373712 /nfs/dbraw/zinc/37/37/12/381373712.db2.gz SXXCRJYJNABOOD-UHFFFAOYSA-N 0 0 294.402 3.434 20 10 CGCDRN COc1cc(Cl)cc(CN(C)Cc2cscn2)c1O ZINC000184684016 262025942 /nfs/dbraw/zinc/02/59/42/262025942.db2.gz TUDXGUNLKZONEB-UHFFFAOYSA-N 0 0 298.795 3.143 20 10 CGCDRN C[C@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299118 804970562 /nfs/dbraw/zinc/97/05/62/804970562.db2.gz PPGWPFHOVKQLAK-QMMMGPOBSA-N 0 0 288.160 3.278 20 10 CGCDRN CC(C)(C)CC(C)(C)NC(=O)Cc1ccc(N)cc1 ZINC000037044450 184539407 /nfs/dbraw/zinc/53/94/07/184539407.db2.gz ZYSSFLUBSZFMMT-UHFFFAOYSA-N 0 0 262.397 3.142 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000037059628 391980565 /nfs/dbraw/zinc/98/05/65/391980565.db2.gz IROAVLQAKOHSAU-UHFFFAOYSA-N 0 0 288.303 3.230 20 10 CGCDRN COc1ccc(N(C)Cc2noc(C(C)C)n2)cc1Cl ZINC000121865142 392416281 /nfs/dbraw/zinc/41/62/81/392416281.db2.gz IQMOHFVAJZSBLI-UHFFFAOYSA-N 0 0 295.770 3.491 20 10 CGCDRN COCCN(Cc1c(O)cccc1Cl)CC(F)(F)F ZINC000122411395 392420944 /nfs/dbraw/zinc/42/09/44/392420944.db2.gz IDPKCSCEELGBKR-UHFFFAOYSA-N 0 0 297.704 3.056 20 10 CGCDRN CCC[C@@H](C(=O)NCc1cccc(OC)c1O)C(C)C ZINC000131478497 392456860 /nfs/dbraw/zinc/45/68/60/392456860.db2.gz FEDIFASYBGVYMI-CYBMUJFWSA-N 0 0 279.380 3.089 20 10 CGCDRN CC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000131996831 392459310 /nfs/dbraw/zinc/45/93/10/392459310.db2.gz DFNUADIOLBISBH-JSGCOSHPSA-N 0 0 276.380 3.112 20 10 CGCDRN C[C@@H]1CC(NC(=O)N(C)Cc2ccccc2O)C[C@@H](C)C1 ZINC000172512149 392620100 /nfs/dbraw/zinc/62/01/00/392620100.db2.gz NKXVOHCOMVZCTJ-STQMWFEESA-N 0 0 290.407 3.358 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccccc2O)s1 ZINC000743806628 572685124 /nfs/dbraw/zinc/68/51/24/572685124.db2.gz ZKXUVAFVMAXXBF-UHFFFAOYSA-N 0 0 262.334 3.084 20 10 CGCDRN O=C(C[C@@H]1C=CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000298370453 260152545 /nfs/dbraw/zinc/15/25/45/260152545.db2.gz DFYYFDFJDYFEKV-OAHLLOKOSA-N 0 0 284.403 3.259 20 10 CGCDRN C[C@@H]1CCC[C@@H](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000070545837 260157820 /nfs/dbraw/zinc/15/78/20/260157820.db2.gz LDYZYDUKRPOWCB-KGLIPLIRSA-N 0 0 274.408 3.144 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000158551380 261167212 /nfs/dbraw/zinc/16/72/12/261167212.db2.gz NUZZIVYVMZKWSH-PBHICJAKSA-N 0 0 298.386 3.001 20 10 CGCDRN C[C@H](CC(=O)NCc1ccc(O)c(O)c1)C1CCCCC1 ZINC000159137140 261179187 /nfs/dbraw/zinc/17/91/87/261179187.db2.gz KFZIJUYGWMWDRX-GFCCVEGCSA-N 0 0 291.391 3.321 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC1(C)C ZINC000174977305 261590910 /nfs/dbraw/zinc/59/09/10/261590910.db2.gz OAPOPOQBZGPUKG-AWEZNQCLSA-N 0 0 276.380 3.112 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(O)c1O ZINC000181816517 261912157 /nfs/dbraw/zinc/91/21/57/261912157.db2.gz BXAHIIFMJUZYQQ-JSGCOSHPSA-N 0 0 289.375 3.201 20 10 CGCDRN Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185346423 262051755 /nfs/dbraw/zinc/05/17/55/262051755.db2.gz LDTOEPFYCKRJQF-NEPJUHHUSA-N 0 0 291.370 3.023 20 10 CGCDRN CCC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C ZINC000186407430 262091789 /nfs/dbraw/zinc/09/17/89/262091789.db2.gz VRKIANNVWIAHLL-JSGCOSHPSA-N 0 0 293.407 3.217 20 10 CGCDRN CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185605414 262306340 /nfs/dbraw/zinc/30/63/40/262306340.db2.gz CJHAREHUYJLXDX-UONOGXRCSA-N 0 0 265.397 3.150 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000061330254 262394306 /nfs/dbraw/zinc/39/43/06/262394306.db2.gz ZTQBUWRBDPAJIW-CQSZACIVSA-N 0 0 286.400 3.067 20 10 CGCDRN Cc1ccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c(O)c1O ZINC000272905335 263009834 /nfs/dbraw/zinc/00/98/34/263009834.db2.gz CKBUNXSMGMAQKF-LBPRGKRZSA-N 0 0 289.375 3.059 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)NC(C)C ZINC000282483832 263077015 /nfs/dbraw/zinc/07/70/15/263077015.db2.gz CNZKEGHDXYOJKQ-UHFFFAOYSA-N 0 0 264.369 3.112 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000296604019 287650035 /nfs/dbraw/zinc/65/00/35/287650035.db2.gz VVPPYQFRCZZLQB-OPQQBVKSSA-N 0 0 287.350 3.382 20 10 CGCDRN CCOc1cccc(CN[C@@H](C2CC2)C(F)(F)F)c1O ZINC000288543894 276498310 /nfs/dbraw/zinc/49/83/10/276498310.db2.gz WXRBAOFZMRPIID-ZDUSSCGKSA-N 0 0 289.297 3.221 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287136900 288047635 /nfs/dbraw/zinc/04/76/35/288047635.db2.gz YZZQVPKNEZKZRV-CPCISQLKSA-N 0 0 278.179 3.121 20 10 CGCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H](C2CC2)O1 ZINC000280472198 300270807 /nfs/dbraw/zinc/27/08/07/300270807.db2.gz CSZNIAHLOVGQJQ-HZMBPMFUSA-N 0 0 281.783 3.045 20 10 CGCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)C1CCCC1 ZINC000172230806 327763985 /nfs/dbraw/zinc/76/39/85/327763985.db2.gz YPHINAUNDGMBCG-LBPRGKRZSA-N 0 0 276.380 3.112 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187829413 327860591 /nfs/dbraw/zinc/86/05/91/327860591.db2.gz UIAPUCWYNBJJJL-BDAKNGLRSA-N 0 0 275.364 3.463 20 10 CGCDRN COc1cccc2c1N(C(=O)/C=C\c1cccnc1)CCC2 ZINC000255290376 326961845 /nfs/dbraw/zinc/96/18/45/326961845.db2.gz CTPXGGJWRIRZKC-KTKRTIGZSA-N 0 0 294.354 3.083 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1nc(C)cs1 ZINC000125188031 327390681 /nfs/dbraw/zinc/39/06/81/327390681.db2.gz NLTIPRQWYDWOBX-UHFFFAOYSA-N 0 0 260.362 3.023 20 10 CGCDRN O=C1[C@H](Sc2nccs2)CCN1c1ccccc1 ZINC000068051308 329851797 /nfs/dbraw/zinc/85/17/97/329851797.db2.gz VUCNQOILEMLYFW-LLVKDONJSA-N 0 0 276.386 3.041 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCO2)c1ncccc1F ZINC000527826920 330286710 /nfs/dbraw/zinc/28/67/10/330286710.db2.gz XDLQFZNGLHLXEZ-NSHDSACASA-N 0 0 272.323 3.006 20 10 CGCDRN CC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000079751332 330336427 /nfs/dbraw/zinc/33/64/27/330336427.db2.gz CWVSVDPOQWQBCX-JTQLQIEISA-N 0 0 278.179 3.214 20 10 CGCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cnccn1)CCC2 ZINC000491447680 332212967 /nfs/dbraw/zinc/21/29/67/332212967.db2.gz DMPGLXPXCGBCIF-WAYWQWQTSA-N 0 0 293.370 3.086 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1c(F)cccc1F ZINC000492412747 332396346 /nfs/dbraw/zinc/39/63/46/332396346.db2.gz GDYAOHXPTYBGBB-SREVYHEPSA-N 0 0 288.297 3.344 20 10 CGCDRN CC(C)C[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000185424479 333140425 /nfs/dbraw/zinc/14/04/25/333140425.db2.gz XRAVIHJTSXMJAJ-CYBMUJFWSA-N 0 0 290.407 3.160 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccncc1 ZINC000135112310 334115890 /nfs/dbraw/zinc/11/58/90/334115890.db2.gz JDKVIKZSNVIBTA-GQCTYLIASA-N 0 0 287.750 3.196 20 10 CGCDRN C/C(=C\c1ccc2c(c1)CCN2C)c1cnccn1 ZINC000187649208 518441530 /nfs/dbraw/zinc/44/15/30/518441530.db2.gz ZGYMSKIZCUNQRG-FMIVXFBMSA-N 0 0 251.333 3.029 20 10 CGCDRN CC(C)(C)n1nc(C(=O)Nc2ccc(N)cc2)cc1C1CC1 ZINC000236773674 519170480 /nfs/dbraw/zinc/17/04/80/519170480.db2.gz FTXAUTZEGAXJPX-UHFFFAOYSA-N 0 0 298.390 3.350 20 10 CGCDRN CCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248253851 519906345 /nfs/dbraw/zinc/90/63/45/519906345.db2.gz TXYSBGFAVDPKHI-OAHLLOKOSA-N 0 0 291.391 3.090 20 10 CGCDRN CCCC[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCC1 ZINC000236848703 521078856 /nfs/dbraw/zinc/07/88/56/521078856.db2.gz BKLGSOMBDLCUJY-MRXNPFEDSA-N 0 0 274.408 3.286 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC=C(C)C ZINC000190605964 521317919 /nfs/dbraw/zinc/31/79/19/521317919.db2.gz WDSZXSSPBPTKQL-UHFFFAOYSA-N 0 0 289.423 3.250 20 10 CGCDRN CCN(Cc1nnc(C(C)C)o1)c1ccc(OC)cc1 ZINC000263953610 521464005 /nfs/dbraw/zinc/46/40/05/521464005.db2.gz KFPGDZFVSFXDFU-UHFFFAOYSA-N 0 0 275.352 3.228 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(OC)cc1 ZINC000299600627 521690217 /nfs/dbraw/zinc/69/02/17/521690217.db2.gz GFUHVBOPQSCSGF-UHFFFAOYSA-N 0 0 299.370 3.453 20 10 CGCDRN CCCN(Cc1noc(C2CC2)n1)Cc1ccccc1O ZINC000068973541 521696544 /nfs/dbraw/zinc/69/65/44/521696544.db2.gz QPQUJXHCUGWOEZ-UHFFFAOYSA-N 0 0 287.363 3.065 20 10 CGCDRN Cc1cnc(N[C@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000302442630 534592165 /nfs/dbraw/zinc/59/21/65/534592165.db2.gz ROUKPMTVSAXJHW-CYBMUJFWSA-N 0 0 270.380 3.333 20 10 CGCDRN CC[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000094949736 522143989 /nfs/dbraw/zinc/14/39/89/522143989.db2.gz TUNYFEUDWYHPEW-SECBINFHSA-N 0 0 292.206 3.197 20 10 CGCDRN CN(C)c1ccc(CNc2ncccn2)c(C(F)(F)F)c1 ZINC000280131616 522215605 /nfs/dbraw/zinc/21/56/05/522215605.db2.gz YBCYBHYAPVYGON-UHFFFAOYSA-N 0 0 296.296 3.174 20 10 CGCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000262611916 522306341 /nfs/dbraw/zinc/30/63/41/522306341.db2.gz DKCCGMBXZAPVKX-GOSISDBHSA-N 0 0 296.414 3.291 20 10 CGCDRN CCc1nnc(CN(c2ccc(OC)c(F)c2)C(C)C)o1 ZINC000104682749 522728448 /nfs/dbraw/zinc/72/84/48/522728448.db2.gz JXOHFMWGXKMJMN-UHFFFAOYSA-N 0 0 293.342 3.195 20 10 CGCDRN CCc1noc(C)c1CSc1ncc(C(=O)OC)s1 ZINC000295412237 522854859 /nfs/dbraw/zinc/85/48/59/522854859.db2.gz XKYICXQIQDAPIO-UHFFFAOYSA-N 0 0 298.389 3.081 20 10 CGCDRN COCc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071407154 523077031 /nfs/dbraw/zinc/07/70/31/523077031.db2.gz KHWBHKDIDXLAKD-UHFFFAOYSA-N 0 0 257.333 3.459 20 10 CGCDRN C[C@H](CC1CCCCC1)C(=O)NCc1ccc(N)cc1 ZINC000297186569 524109574 /nfs/dbraw/zinc/10/95/74/524109574.db2.gz LOCHNWDKXBOZGY-CYBMUJFWSA-N 0 0 274.408 3.492 20 10 CGCDRN Cc1cccc(CCC[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000289532723 524354116 /nfs/dbraw/zinc/35/41/16/524354116.db2.gz PZLJZCFJQLBAPS-UHFFFAOYSA-N 0 0 290.794 3.471 20 10 CGCDRN COc1ccc(N(C)Cc2ncnn2C(C)C)cc1Cl ZINC000280098928 524356269 /nfs/dbraw/zinc/35/62/69/524356269.db2.gz SUDHGHFKVZVZHU-UHFFFAOYSA-N 0 0 294.786 3.157 20 10 CGCDRN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cccc(Cl)c1[O-] ZINC000289905110 525701172 /nfs/dbraw/zinc/70/11/72/525701172.db2.gz URCGLLJVKQUDQB-IUODEOHRSA-N 0 0 294.826 3.104 20 10 CGCDRN COc1cccc(CNC(=O)N[C@H](C)CCC(C)C)c1O ZINC000073435675 525991494 /nfs/dbraw/zinc/99/14/94/525991494.db2.gz WCVLPMDEKIZJPN-GFCCVEGCSA-N 0 0 294.395 3.025 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000158032615 526325945 /nfs/dbraw/zinc/32/59/45/526325945.db2.gz HQNOPLOOZLVALI-AWEZNQCLSA-N 0 0 294.826 3.106 20 10 CGCDRN CCN(CC)c1ccc(CNc2ncnc3[nH]ccc32)cc1 ZINC000726967165 571692353 /nfs/dbraw/zinc/69/23/53/571692353.db2.gz CIYZDJBEPQINDN-UHFFFAOYSA-N 0 0 295.390 3.416 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1nnc(C(C)C)o1 ZINC000728052771 571786310 /nfs/dbraw/zinc/78/63/10/571786310.db2.gz LSDUGINHXXSVIR-UHFFFAOYSA-N 0 0 287.363 3.154 20 10 CGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccccn2)cc1 ZINC000728218867 571795650 /nfs/dbraw/zinc/79/56/50/571795650.db2.gz CTJUAPGJXSHAGK-UHFFFAOYSA-N 0 0 297.402 3.200 20 10 CGCDRN CCSc1ccccc1C(=O)N1CCSC[C@@H]1C ZINC000737709761 571820726 /nfs/dbraw/zinc/82/07/26/571820726.db2.gz OAGVCCJZCLDIGC-NSHDSACASA-N 0 0 281.446 3.376 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(F)c2)c1 ZINC000728984137 571852259 /nfs/dbraw/zinc/85/22/59/571852259.db2.gz LZKJYSCUQXIEOT-JTQLQIEISA-N 0 0 289.306 3.031 20 10 CGCDRN Cc1ccc(F)c(NC(=S)NCc2ncccc2C)c1 ZINC000729644870 571927171 /nfs/dbraw/zinc/92/71/71/571927171.db2.gz DYYDFMBXUKGJCO-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CCN(Cc1cccc(OC)n1)c1ccc(OC)cc1 ZINC000738308397 572371048 /nfs/dbraw/zinc/37/10/48/572371048.db2.gz GXTUCJIVUWBDNJ-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN O=C1/C(=C\c2cccc(F)c2F)SC(=S)N1C1CC1 ZINC000730843287 572379245 /nfs/dbraw/zinc/37/92/45/572379245.db2.gz SVNKOOXTBVMJHO-UXBLZVDNSA-N 0 0 297.351 3.328 20 10 CGCDRN CCN(CC)c1ccc(CNCc2cc(C)on2)cc1F ZINC000740004737 572427985 /nfs/dbraw/zinc/42/79/85/572427985.db2.gz UROGOEUXSNGRGK-UHFFFAOYSA-N 0 0 291.370 3.258 20 10 CGCDRN C[Si](C)(C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731845333 572429386 /nfs/dbraw/zinc/42/93/86/572429386.db2.gz XPKRGFFNHHJBEN-HNNXBMFYSA-N 0 0 293.483 3.251 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC2(CC2)c2ccccc21 ZINC000740128875 572433166 /nfs/dbraw/zinc/43/31/66/572433166.db2.gz XKSFKLLBOSIBFZ-UHFFFAOYSA-N 0 0 271.341 3.146 20 10 CGCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000732269915 572455711 /nfs/dbraw/zinc/45/57/11/572455711.db2.gz MDPOGCJXTABTMG-KOLCDFICSA-N 0 0 253.367 3.152 20 10 CGCDRN C[C@H](Cc1ccccc1Cl)NC(=O)C1=CC(=O)CS1 ZINC000732270147 572455792 /nfs/dbraw/zinc/45/57/92/572455792.db2.gz KMDXCCJJTVIXMV-SECBINFHSA-N 0 0 295.791 3.468 20 10 CGCDRN CCCCN(CCCC)C(=O)C1=CC(=O)CS1 ZINC000732270401 572456058 /nfs/dbraw/zinc/45/60/58/572456058.db2.gz ASZXFGIJRUINOJ-UHFFFAOYSA-N 0 0 255.383 3.496 20 10 CGCDRN O=C(Nc1cc(-c2ccccc2)[nH]n1)C1=CC(=O)CS1 ZINC000732272581 572456731 /nfs/dbraw/zinc/45/67/31/572456731.db2.gz WVHGNYYSTKSYOT-UHFFFAOYSA-N 0 0 285.328 3.096 20 10 CGCDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)c1ccccn1 ZINC000732286616 572459144 /nfs/dbraw/zinc/45/91/44/572459144.db2.gz FXLLLRSAUXCMBK-LBPRGKRZSA-N 0 0 276.361 3.120 20 10 CGCDRN C[C@@]1(C(=O)NCc2ccccc2O)CCCc2ccccc21 ZINC000725895350 572486306 /nfs/dbraw/zinc/48/63/06/572486306.db2.gz FMUBYWJEVSZINY-LJQANCHMSA-N 0 0 295.382 3.303 20 10 CGCDRN Cc1cccc(F)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000742380598 572571088 /nfs/dbraw/zinc/57/10/88/572571088.db2.gz OUBWMKKGHNZKEX-UHFFFAOYSA-N 0 0 290.294 3.038 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/C(C)(C)C ZINC000742953230 572627274 /nfs/dbraw/zinc/62/72/74/572627274.db2.gz ZVDMYZMBQICDNY-CMDGGOBGSA-N 0 0 288.391 3.080 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCc1cccnc1 ZINC000734146945 572631818 /nfs/dbraw/zinc/63/18/18/572631818.db2.gz IDVAZSVLRZEVBF-UHFFFAOYSA-N 0 0 268.360 3.086 20 10 CGCDRN OCCCN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734487379 572659087 /nfs/dbraw/zinc/65/90/87/572659087.db2.gz UICHRBNCNVLSSZ-UHFFFAOYSA-N 0 0 297.398 3.401 20 10 CGCDRN CC[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000734687617 572675216 /nfs/dbraw/zinc/67/52/16/572675216.db2.gz MKRGFMHXRKGWJP-OAHLLOKOSA-N 0 0 289.423 3.145 20 10 CGCDRN CCCC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000734946741 572692313 /nfs/dbraw/zinc/69/23/13/572692313.db2.gz LWSINDQOOUFLAD-UHFFFAOYSA-N 0 0 291.439 3.439 20 10 CGCDRN COCCCCCN1CCCc2cc(OC)ccc21 ZINC000735077502 572699233 /nfs/dbraw/zinc/69/92/33/572699233.db2.gz RGJJSYZPQASLRT-UHFFFAOYSA-N 0 0 263.381 3.265 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000746403910 572870142 /nfs/dbraw/zinc/87/01/42/572870142.db2.gz SWFIHMQHNGAJJW-YQQAZPJKSA-N 0 0 286.419 3.286 20 10 CGCDRN CCN(CC)c1ccc(CNc2cc3c(nn2)CCC3)cc1 ZINC000746661373 572889191 /nfs/dbraw/zinc/88/91/91/572889191.db2.gz OPWKBWUANUUWQI-UHFFFAOYSA-N 0 0 296.418 3.424 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1F ZINC000746797826 572896341 /nfs/dbraw/zinc/89/63/41/572896341.db2.gz DXEZMJBQAJMAEH-PKNBQFBNSA-N 0 0 298.361 3.221 20 10 CGCDRN COc1ccc2c(c1)CCN2C[C@H]1CC1(Cl)Cl ZINC000747683059 572941121 /nfs/dbraw/zinc/94/11/21/572941121.db2.gz PZMRUFDKFXPHEN-SNVBAGLBSA-N 0 0 272.175 3.252 20 10 CGCDRN Cc1ccc(NC(=S)NCc2cccc(F)n2)c(C)c1 ZINC000747720379 572942780 /nfs/dbraw/zinc/94/27/80/572942780.db2.gz HLJXMYLAPSLAGW-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN CC(C)c1ccccc1OCC(=O)NCc1ccccc1O ZINC000748353793 572974464 /nfs/dbraw/zinc/97/44/64/572974464.db2.gz DOEBDBVHDNMDMY-UHFFFAOYSA-N 0 0 299.370 3.211 20 10 CGCDRN C[C@@H](CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748354947 572974947 /nfs/dbraw/zinc/97/49/47/572974947.db2.gz QHUCWUHLBNSLAG-ZDUSSCGKSA-N 0 0 269.344 3.202 20 10 CGCDRN COc1ccc(N(CCC(C)(C)O)CC(C)C)cc1 ZINC000749841828 573045814 /nfs/dbraw/zinc/04/58/14/573045814.db2.gz CNWPNVXDJKWORI-UHFFFAOYSA-N 0 0 265.397 3.319 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+]C(C)(C)CC(=O)[O-])cc1F ZINC000737095149 600800381 /nfs/dbraw/zinc/80/03/81/600800381.db2.gz YDTFGZIYEUJUNC-UHFFFAOYSA-N 0 0 296.386 3.015 20 10 CGCDRN CC(C)(C)SCC(=O)NCc1cccc(Cl)c1O ZINC000890757546 617814533 /nfs/dbraw/zinc/81/45/33/617814533.db2.gz HMPSHBBCADKUKI-UHFFFAOYSA-N 0 0 287.812 3.194 20 10 CGCDRN O=C(C=C(C1CC1)C1CC1)NCc1cccc(Cl)c1O ZINC000890758079 617814742 /nfs/dbraw/zinc/81/47/42/617814742.db2.gz QUMPFPXAMKTPBW-UHFFFAOYSA-N 0 0 291.778 3.408 20 10 CGCDRN Cc1cccc(CCC(=O)Nc2ccc(N)cc2)c1 ZINC000050226135 618080412 /nfs/dbraw/zinc/08/04/12/618080412.db2.gz YUUKZDQVNHIZGS-UHFFFAOYSA-N 0 0 254.333 3.149 20 10 CGCDRN C/C(=C(/F)C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000899984270 620741170 /nfs/dbraw/zinc/74/11/70/620741170.db2.gz ZMZVBEPKYYNUPS-PTNGSMBKSA-N 0 0 276.355 3.022 20 10 CGCDRN CC1(C)CC(C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759257 617815828 /nfs/dbraw/zinc/81/58/28/617815828.db2.gz IQRXZTLUSMUSEX-UHFFFAOYSA-N 0 0 267.756 3.098 20 10 CGCDRN c1coc(-c2noc(CSc3nccs3)n2)c1 ZINC000048876217 618055096 /nfs/dbraw/zinc/05/50/96/618055096.db2.gz VUIPADRHIQDTLT-UHFFFAOYSA-N 0 0 265.319 3.078 20 10 CGCDRN CC(C)(C)/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000255289516 618162395 /nfs/dbraw/zinc/16/23/95/618162395.db2.gz ZBVWZHXUIGPDEZ-KHPPLWFESA-N 0 0 287.403 3.490 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000245567653 618166291 /nfs/dbraw/zinc/16/62/91/618166291.db2.gz UPPGBMOENXYHHQ-ZWNOBZJWSA-N 0 0 269.772 3.045 20 10 CGCDRN CN(C)c1ccc(CNc2cc(C(F)F)ncn2)cc1 ZINC000891577313 618239748 /nfs/dbraw/zinc/23/97/48/618239748.db2.gz BMHPPKAJYSPRED-UHFFFAOYSA-N 0 0 278.306 3.092 20 10 CGCDRN CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000091929872 618369023 /nfs/dbraw/zinc/36/90/23/618369023.db2.gz SQYKBBIKXFCRLH-SNVBAGLBSA-N 0 0 284.197 3.387 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc(F)cc2C)c(O)c1O ZINC000177667857 618834892 /nfs/dbraw/zinc/83/48/92/618834892.db2.gz GLBGOPKBPWQRPN-UHFFFAOYSA-N 0 0 275.279 3.106 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccc([C@@H](C)O)n1 ZINC000892564320 618863843 /nfs/dbraw/zinc/86/38/43/618863843.db2.gz QYTVOMJUFGJSHJ-CYBMUJFWSA-N 0 0 285.391 3.121 20 10 CGCDRN CC(C)Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000072554160 625300044 /nfs/dbraw/zinc/30/00/44/625300044.db2.gz YKRLZOSHKHSXAY-UHFFFAOYSA-N 0 0 250.323 3.042 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000310980200 618882717 /nfs/dbraw/zinc/88/27/17/618882717.db2.gz QVJZWFGRBCOCAH-SCZZXKLOSA-N 0 0 259.271 3.370 20 10 CGCDRN Cc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000020085222 618975504 /nfs/dbraw/zinc/97/55/04/618975504.db2.gz AVFBFDLSNXVVPA-UHFFFAOYSA-N 0 0 282.387 3.444 20 10 CGCDRN FC(F)(F)COCCOc1ccc(N2CCCC2)cc1 ZINC000181682297 619027814 /nfs/dbraw/zinc/02/78/14/619027814.db2.gz MQIMLDVVNFXNTH-UHFFFAOYSA-N 0 0 289.297 3.245 20 10 CGCDRN COc1ccc(O)c(CNc2ccc3c(c2)COC3)c1 ZINC000312234189 619047496 /nfs/dbraw/zinc/04/74/96/619047496.db2.gz GIRUMXCFZRJLMI-UHFFFAOYSA-N 0 0 271.316 3.043 20 10 CGCDRN C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000185227329 625324645 /nfs/dbraw/zinc/32/46/45/625324645.db2.gz WTJHTBXBNBEZOR-KBPBESRZSA-N 0 0 294.414 3.302 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC000931553707 619209141 /nfs/dbraw/zinc/20/91/41/619209141.db2.gz GUTHFGUCVSOHFX-NRUUGDAUSA-N 0 0 289.297 3.153 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1COC2=O ZINC000840947217 619248784 /nfs/dbraw/zinc/24/87/84/619248784.db2.gz RGSPSPMJOPICDQ-UHFFFAOYSA-N 0 0 296.370 3.344 20 10 CGCDRN C[N@H+](Cc1cc(Br)cc(F)c1[O-])C1CCC1 ZINC000894032554 619352813 /nfs/dbraw/zinc/35/28/13/619352813.db2.gz MDYWDQIIOFWCKO-UHFFFAOYSA-N 0 0 288.160 3.278 20 10 CGCDRN CCOc1ccccc1CCC(=O)Nc1ccc(N)cc1 ZINC000236911612 619371367 /nfs/dbraw/zinc/37/13/67/619371367.db2.gz MNWYDARGFFDDPN-UHFFFAOYSA-N 0 0 284.359 3.239 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000895316911 619804484 /nfs/dbraw/zinc/80/44/84/619804484.db2.gz FWGHKAHBRPPPPV-CDMKHQONSA-N 0 0 294.782 3.033 20 10 CGCDRN Nc1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000841299418 619837093 /nfs/dbraw/zinc/83/70/93/619837093.db2.gz CPFPFIQYUXCFET-OAHLLOKOSA-N 0 0 295.386 3.365 20 10 CGCDRN CC(C)(C)c1ccnc(NCc2c(O)cccc2F)n1 ZINC000895832606 619894291 /nfs/dbraw/zinc/89/42/91/619894291.db2.gz INWARPAGSCKZBC-UHFFFAOYSA-N 0 0 275.327 3.231 20 10 CGCDRN CCN(CC1CC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896311817 619991608 /nfs/dbraw/zinc/99/16/08/619991608.db2.gz IVJDUFPSMWSBLZ-UHFFFAOYSA-N 0 0 291.372 3.185 20 10 CGCDRN CCN(CC)c1ccc(CNc2ncc(F)cn2)cc1 ZINC000179052087 620014230 /nfs/dbraw/zinc/01/42/30/620014230.db2.gz DLPDOYHUNNHNIJ-UHFFFAOYSA-N 0 0 274.343 3.074 20 10 CGCDRN CCOc1ccc(C[NH+]2CCC(CSC)CC2)c(O)c1 ZINC000896937677 620106552 /nfs/dbraw/zinc/10/65/52/620106552.db2.gz ZLVTVJBHUPEMMX-UHFFFAOYSA-N 0 0 295.448 3.366 20 10 CGCDRN CSCC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000896941695 620108763 /nfs/dbraw/zinc/10/87/63/620108763.db2.gz WXDHDSJPBLBXFW-UHFFFAOYSA-N 0 0 265.422 3.276 20 10 CGCDRN CC[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896945425 620110026 /nfs/dbraw/zinc/11/00/26/620110026.db2.gz XAXHYHSPMODEJB-SECBINFHSA-N 0 0 291.372 3.185 20 10 CGCDRN CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cnn(C)c1 ZINC000897082025 620135436 /nfs/dbraw/zinc/13/54/36/620135436.db2.gz QKYMWBUMJNIQFX-AWEZNQCLSA-N 0 0 293.798 3.266 20 10 CGCDRN CC(C)OC[C@H](O)CSc1ncc(C(C)(C)C)s1 ZINC000305430328 620203485 /nfs/dbraw/zinc/20/34/85/620203485.db2.gz DRHMFUQDAWTGRN-JTQLQIEISA-N 0 0 289.466 3.319 20 10 CGCDRN CN(Cc1cc(C(C)(C)C)on1)c1ccc2c(c1)OCO2 ZINC000788021528 620237102 /nfs/dbraw/zinc/23/71/02/620237102.db2.gz PRNHHHXWLHFBJV-UHFFFAOYSA-N 0 0 288.347 3.337 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000841754083 620392044 /nfs/dbraw/zinc/39/20/44/620392044.db2.gz YTUHLTYCCUWBEA-NXEZZACHSA-N 0 0 271.813 3.449 20 10 CGCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000897788055 620431329 /nfs/dbraw/zinc/43/13/29/620431329.db2.gz AHHUIALALLEAMO-NSHDSACASA-N 0 0 287.375 3.434 20 10 CGCDRN Cc1ccc(CNc2cnn(C3CCC3)c2)c(O)c1 ZINC000897878536 620442515 /nfs/dbraw/zinc/44/25/15/620442515.db2.gz HYCVSQVRPDFCBI-UHFFFAOYSA-N 0 0 257.337 3.234 20 10 CGCDRN CC(C)n1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000898219923 620489356 /nfs/dbraw/zinc/48/93/56/620489356.db2.gz PNJTUEKANVNXIF-UHFFFAOYSA-N 0 0 279.771 3.113 20 10 CGCDRN COCC(COC)Sc1ncc(C(C)(C)C)s1 ZINC000901509676 620907921 /nfs/dbraw/zinc/90/79/21/620907921.db2.gz PJKAYHFQMOZHTO-UHFFFAOYSA-N 0 0 275.439 3.194 20 10 CGCDRN Cc1cc(O)c(CNc2nccnc2C2CC2)cc1C ZINC000902165742 621180379 /nfs/dbraw/zinc/18/03/79/621180379.db2.gz DMBCXNHQXCZLMJ-UHFFFAOYSA-N 0 0 269.348 3.289 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1cnc(C)cn1 ZINC000902209594 621196054 /nfs/dbraw/zinc/19/60/54/621196054.db2.gz CWMNCDJKDKARFJ-UHFFFAOYSA-N 0 0 266.348 3.197 20 10 CGCDRN C[N@H+](Cc1cccc(=O)[nH]1)Cc1cc2c(cc1O)CCCC2 ZINC000902570626 621375744 /nfs/dbraw/zinc/37/57/44/621375744.db2.gz WFQICTYMBSMRID-UHFFFAOYSA-N 0 0 298.386 3.004 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1cc(F)cc(F)c1[O-] ZINC000903251276 621640921 /nfs/dbraw/zinc/64/09/21/621640921.db2.gz HIBCGWICBHLNTA-FMSQNYNMSA-N 0 0 297.345 3.279 20 10 CGCDRN CC[C@H]([NH2+]Cc1cn(C)cn1)c1cccc(Cl)c1[O-] ZINC000903351998 621709691 /nfs/dbraw/zinc/70/96/91/621709691.db2.gz PUUWDYYDLCCWRJ-ZDUSSCGKSA-N 0 0 279.771 3.020 20 10 CGCDRN Cc1ncccc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000903415936 621735502 /nfs/dbraw/zinc/73/55/02/621735502.db2.gz NUPKSTIIZTUGSQ-NSHDSACASA-N 0 0 292.329 3.267 20 10 CGCDRN C[C@]12CN(C(=O)Nc3ccc(N)cc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000904498999 621929083 /nfs/dbraw/zinc/92/90/83/621929083.db2.gz AAPYQHHUPPFPPQ-IUPKNAOTSA-N 0 0 285.391 3.169 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@H](O)c1ccccc1 ZINC000027959859 622439291 /nfs/dbraw/zinc/43/92/91/622439291.db2.gz YMBAWCOYYLZOKB-GOSISDBHSA-N 0 0 283.371 3.181 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@H](O)Cc1ccccc1 ZINC000027960428 622439305 /nfs/dbraw/zinc/43/93/05/622439305.db2.gz ZKCLYXFUDHPZIJ-QGZVFWFLSA-N 0 0 297.398 3.051 20 10 CGCDRN C[C@H](CCC(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910950652 622510329 /nfs/dbraw/zinc/51/03/29/622510329.db2.gz ZJELHOJPWQPRHW-CYBMUJFWSA-N 0 0 299.370 3.298 20 10 CGCDRN Cc1cc(C(=O)NCCC2CCC2)c(C)n1-c1ccccn1 ZINC000150839038 622686547 /nfs/dbraw/zinc/68/65/47/622686547.db2.gz WUDZLGFJBFDPMR-UHFFFAOYSA-N 0 0 297.402 3.409 20 10 CGCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000150877950 622690719 /nfs/dbraw/zinc/69/07/19/622690719.db2.gz VWDHRXBMHBGOEL-GOEBONIOSA-N 0 0 289.423 3.131 20 10 CGCDRN COc1cc(NCc2cc(F)ccc2O)ccc1F ZINC000083480732 625591612 /nfs/dbraw/zinc/59/16/12/625591612.db2.gz XESHOAGVSIWXIV-UHFFFAOYSA-N 0 0 265.259 3.291 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)c2cc3occc3[nH]2)cc1 ZINC000151263075 622756587 /nfs/dbraw/zinc/75/65/87/622756587.db2.gz HKIUGQJNLQRALP-UHFFFAOYSA-N 0 0 297.358 3.099 20 10 CGCDRN CCCCNC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164011506 622810706 /nfs/dbraw/zinc/81/07/06/622810706.db2.gz GTGPWNFJLRHKHK-UHFFFAOYSA-N 0 0 286.466 3.449 20 10 CGCDRN CCN(CC)c1ccc(CNCc2cc(C)on2)cc1 ZINC000044692505 622817901 /nfs/dbraw/zinc/81/79/01/622817901.db2.gz HKWKBNSNUVYAEB-UHFFFAOYSA-N 0 0 273.380 3.119 20 10 CGCDRN CN(Cc1cc2c(cc1O)OCO2)c1cc(F)ccc1F ZINC000164640673 622840629 /nfs/dbraw/zinc/84/06/29/622840629.db2.gz BWBXTNMOWOXUNI-UHFFFAOYSA-N 0 0 293.269 3.036 20 10 CGCDRN CC1CCC(CNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000056819102 622863178 /nfs/dbraw/zinc/86/31/78/622863178.db2.gz FMLLKDSCZABSRT-UHFFFAOYSA-N 0 0 290.407 3.360 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Nc1ccsc1 ZINC000157246957 622892889 /nfs/dbraw/zinc/89/28/89/622892889.db2.gz ZUBZRELPAGNMIF-UHFFFAOYSA-N 0 0 262.334 3.118 20 10 CGCDRN CCc1cc(CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000058584293 622935928 /nfs/dbraw/zinc/93/59/28/622935928.db2.gz JINJEYMFZGHEKE-UHFFFAOYSA-N 0 0 277.408 3.084 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H](C)C1 ZINC000226205925 622953878 /nfs/dbraw/zinc/95/38/78/622953878.db2.gz GBJFZADWKANKPJ-SUNKGSAMSA-N 0 0 261.369 3.215 20 10 CGCDRN COc1cc(NCc2cc(F)ccc2O)cc(OC)c1 ZINC000226580977 622983131 /nfs/dbraw/zinc/98/31/31/622983131.db2.gz RRSWAMQPMDJHHN-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN O=C1CCc2cc(NCc3cc(F)ccc3O)ccc2N1 ZINC000226581832 622983342 /nfs/dbraw/zinc/98/33/42/622983342.db2.gz UFNJLFZQNLQTNK-UHFFFAOYSA-N 0 0 286.306 3.028 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(F)cc1[O-] ZINC000157987136 622989693 /nfs/dbraw/zinc/98/96/93/622989693.db2.gz QUMPBTJRGPITEU-PWSUYJOCSA-N 0 0 269.385 3.468 20 10 CGCDRN CCCCOCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168732337 623013458 /nfs/dbraw/zinc/01/34/58/623013458.db2.gz AEQLUMDCTUVNTP-GFCCVEGCSA-N 0 0 269.360 3.389 20 10 CGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000172176579 623230917 /nfs/dbraw/zinc/23/09/17/623230917.db2.gz MHTVTSOWUACYOU-CYBMUJFWSA-N 0 0 289.423 3.131 20 10 CGCDRN CCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000062577222 623248070 /nfs/dbraw/zinc/24/80/70/623248070.db2.gz VTOJCKYRPZFFMW-UHFFFAOYSA-N 0 0 256.349 3.120 20 10 CGCDRN Cc1cc(CCNC(=O)C2CC2)c(C)n1-c1ccccc1 ZINC000062576711 623248434 /nfs/dbraw/zinc/24/84/34/623248434.db2.gz MHFLXDVCGBXJRM-UHFFFAOYSA-N 0 0 282.387 3.163 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)C(C)C)c1 ZINC000172505635 623252860 /nfs/dbraw/zinc/25/28/60/623252860.db2.gz OAICAIANUNRLDM-NEPJUHHUSA-N 0 0 294.395 3.053 20 10 CGCDRN CC(C)N(CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000062744730 623265183 /nfs/dbraw/zinc/26/51/83/623265183.db2.gz RHYBYCRZDAVYEB-ZDUSSCGKSA-N 0 0 282.403 3.301 20 10 CGCDRN COC(=O)[C@@H](Sc1nccs1)c1ccccc1F ZINC000172919667 623291778 /nfs/dbraw/zinc/29/17/78/623291778.db2.gz OKRXEBGWYPYIGQ-JTQLQIEISA-N 0 0 283.349 3.289 20 10 CGCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000914476840 623809545 /nfs/dbraw/zinc/80/95/45/623809545.db2.gz PZZRZQYMTSYROS-WTKPLQERSA-N 0 0 289.766 3.140 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2ccccc2O)cc1 ZINC000916502840 624167740 /nfs/dbraw/zinc/16/77/40/624167740.db2.gz NPGLGAKXDYYQDT-UHFFFAOYSA-N 0 0 298.386 3.168 20 10 CGCDRN CCc1cc(CN(C)OC)c(O)c(C(C)(C)C)c1 ZINC000917064920 624232470 /nfs/dbraw/zinc/23/24/70/624232470.db2.gz VINNAVDAOSMCPD-UHFFFAOYSA-N 0 0 251.370 3.245 20 10 CGCDRN COc1cc(-c2nc3c(cccc3Cl)[nH]2)cc(O)c1O ZINC000154772055 624364818 /nfs/dbraw/zinc/36/48/18/624364818.db2.gz XBAHTJWWQVVSTQ-UHFFFAOYSA-N 0 0 290.706 3.303 20 10 CGCDRN CC(=O)Nc1ccc(Sc2nccs2)cc1 ZINC000920960304 624556856 /nfs/dbraw/zinc/55/68/56/624556856.db2.gz KXHACVGKTCXIEN-UHFFFAOYSA-N 0 0 250.348 3.253 20 10 CGCDRN C[C@@H]1CCC[C@@H](CC(=O)NCCc2ccc(N)cc2)C1 ZINC000237578675 624659765 /nfs/dbraw/zinc/65/97/65/624659765.db2.gz JAYONBZPENMNTB-UKRRQHHQSA-N 0 0 274.408 3.144 20 10 CGCDRN c1csc(SCc2noc(Cc3ccccc3)n2)n1 ZINC000068051293 624675219 /nfs/dbraw/zinc/67/52/19/624675219.db2.gz URDAZMNIIFJEBT-UHFFFAOYSA-N 0 0 289.385 3.409 20 10 CGCDRN Cc1cccc2nc(C[NH2+][C@H](C)c3ccccc3O)cn21 ZINC000179890815 624693616 /nfs/dbraw/zinc/69/36/16/624693616.db2.gz FFGGDFPPZWHQMU-CYBMUJFWSA-N 0 0 281.359 3.199 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180743345 624769754 /nfs/dbraw/zinc/76/97/54/624769754.db2.gz JRZIXRPVSOHWGW-VQHVLOKHSA-N 0 0 283.327 3.082 20 10 CGCDRN CC(=O)Nc1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC000180759304 624770056 /nfs/dbraw/zinc/77/00/56/624770056.db2.gz UWYQDODECCQTBA-UHFFFAOYSA-N 0 0 298.342 3.010 20 10 CGCDRN Cc1ccc(NC(=S)NCc2ncc(C)cc2C)cc1 ZINC000242975174 624973563 /nfs/dbraw/zinc/97/35/63/624973563.db2.gz HPHWZLDGRSYEDX-UHFFFAOYSA-N 0 0 285.416 3.493 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H](C(C)C)CC2)c(O)c1O ZINC000182450692 625002637 /nfs/dbraw/zinc/00/26/37/625002637.db2.gz AYIUYFSCQVNXKO-ZDUSSCGKSA-N 0 0 291.391 3.305 20 10 CGCDRN Cc1ncsc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000071213056 625065687 /nfs/dbraw/zinc/06/56/87/625065687.db2.gz KSSQDQFEQUTOIB-QMMMGPOBSA-N 0 0 266.341 3.147 20 10 CGCDRN Cc1ccc(O)c(CNc2ccccc2-n2cccn2)c1 ZINC000071407601 625090891 /nfs/dbraw/zinc/09/08/91/625090891.db2.gz SVGTWZQPPIADFO-UHFFFAOYSA-N 0 0 279.343 3.498 20 10 CGCDRN Cc1c(N[C@@H](C)c2cc3c(cc2O)CCCC3)cnn1C ZINC000186369151 625797023 /nfs/dbraw/zinc/79/70/23/625797023.db2.gz KPDOWHFWTNJBPO-NSHDSACASA-N 0 0 285.391 3.486 20 10 CGCDRN C[C@H]1C[C@H](NCc2ccc3c(c2)CCCO3)c2nccn21 ZINC000922163426 625977317 /nfs/dbraw/zinc/97/73/17/625977317.db2.gz ACBQIOIYBXIBDS-WFASDCNBSA-N 0 0 283.375 3.004 20 10 CGCDRN COc1cccc(O)c1CNc1cnn(C2CCCC2)c1 ZINC000922625168 626022489 /nfs/dbraw/zinc/02/24/89/626022489.db2.gz JCIVDXXMRIYGLI-UHFFFAOYSA-N 0 0 287.363 3.325 20 10 CGCDRN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873751521 634476665 /nfs/dbraw/zinc/47/66/65/634476665.db2.gz KZTKSKZUYHURDJ-GXFFZTMASA-N 0 0 288.351 3.158 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccccc1 ZINC000124656273 634477647 /nfs/dbraw/zinc/47/76/47/634477647.db2.gz JNALYSPZFAGCRW-UHFFFAOYSA-N 0 0 261.752 3.378 20 10 CGCDRN CC[C@@H](C)C[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000074788782 626126821 /nfs/dbraw/zinc/12/68/21/626126821.db2.gz VXCUDGMQIBTEFW-VXGBXAGGSA-N 0 0 294.395 3.025 20 10 CGCDRN COC1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000839168055 626324700 /nfs/dbraw/zinc/32/47/00/626324700.db2.gz JIEHGELLYPNMNR-UHFFFAOYSA-N 0 0 287.762 3.232 20 10 CGCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])N1CCCCC1 ZINC000124723471 634494843 /nfs/dbraw/zinc/49/48/43/634494843.db2.gz CTWHMSJXEFQEMB-GFCCVEGCSA-N 0 0 282.815 3.010 20 10 CGCDRN CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(Cl)c1[O-] ZINC000806139746 626367790 /nfs/dbraw/zinc/36/77/90/626367790.db2.gz RGAYFZKXHFXBBN-HIFRSBDPSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873968263 634499873 /nfs/dbraw/zinc/49/98/73/634499873.db2.gz HGCBMGFPMUHSOH-MFKMUULPSA-N 0 0 288.351 3.158 20 10 CGCDRN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC(C)(C)C1 ZINC000753024309 626443988 /nfs/dbraw/zinc/44/39/88/626443988.db2.gz BQJJMNDWBNSWRU-HWPRWLFBSA-N 0 0 289.375 3.006 20 10 CGCDRN Cc1ccc([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)cc1 ZINC000753515488 626453744 /nfs/dbraw/zinc/45/37/44/626453744.db2.gz YCZUNSGNMOHQEQ-ZDUSSCGKSA-N 0 0 287.384 3.392 20 10 CGCDRN Oc1ccc(-c2ccccc2)cc1CN1CC(F)C1 ZINC000753577348 626456474 /nfs/dbraw/zinc/45/64/74/626456474.db2.gz SPMORQUXOALJQO-UHFFFAOYSA-N 0 0 257.308 3.213 20 10 CGCDRN C[C@H]([NH2+]Cc1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756343603 626693717 /nfs/dbraw/zinc/69/37/17/626693717.db2.gz PRTZNVLHKHSJLN-QMMMGPOBSA-N 0 0 253.248 3.114 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756531994 626712564 /nfs/dbraw/zinc/71/25/64/626712564.db2.gz CKWOUDDDXOJDNE-DGCLKSJQSA-N 0 0 298.342 3.291 20 10 CGCDRN COc1ccc(N(C)Cc2nccc(C)n2)cc1Cl ZINC000756546742 626714131 /nfs/dbraw/zinc/71/41/31/626714131.db2.gz HAYCBHPFBMDDTJ-UHFFFAOYSA-N 0 0 277.755 3.083 20 10 CGCDRN COc1ccc(N(Cc2nccc(C)n2)C(C)C)cc1F ZINC000756592543 626718412 /nfs/dbraw/zinc/71/84/12/626718412.db2.gz ZIDXYROTUXFTSB-UHFFFAOYSA-N 0 0 289.354 3.348 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756588113 626718819 /nfs/dbraw/zinc/71/88/19/626718819.db2.gz FGRZQTHERZMPJR-MWLCHTKSSA-N 0 0 287.350 3.118 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C(C)C)c1 ZINC000756595085 626718994 /nfs/dbraw/zinc/71/89/94/626718994.db2.gz TUSYQDKQIRKBKU-NEPJUHHUSA-N 0 0 279.380 3.122 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000756595911 626719176 /nfs/dbraw/zinc/71/91/76/626719176.db2.gz ZYFDTRIAPSBGAB-AMIZOPFISA-N 0 0 299.342 3.116 20 10 CGCDRN C[C@@H]([NH2+]CCNc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756641940 626723483 /nfs/dbraw/zinc/72/34/83/626723483.db2.gz JNLNWBYGGBQNKH-LLVKDONJSA-N 0 0 292.329 3.433 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000756642653 626723939 /nfs/dbraw/zinc/72/39/39/626723939.db2.gz PNZJVNKMVHTAQP-IAQYHMDHSA-N 0 0 291.391 3.408 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCCS1)c1cc(F)cc(F)c1[O-] ZINC000756651187 626724580 /nfs/dbraw/zinc/72/45/80/626724580.db2.gz VHXVOKNJCQQEGL-PSASIEDQSA-N 0 0 273.348 3.217 20 10 CGCDRN C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000756710158 626727238 /nfs/dbraw/zinc/72/72/38/626727238.db2.gz BKGVQSFKRBRBFJ-MEBBXXQBSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1 ZINC000756782356 626732140 /nfs/dbraw/zinc/73/21/40/626732140.db2.gz AUDSXVPGHJNPAZ-VHSXEESVSA-N 0 0 275.308 3.040 20 10 CGCDRN CCCCCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000103507521 626763880 /nfs/dbraw/zinc/76/38/80/626763880.db2.gz JBEKBNNMLDDAGH-GFCCVEGCSA-N 0 0 294.395 3.341 20 10 CGCDRN C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000757637558 626796278 /nfs/dbraw/zinc/79/62/78/626796278.db2.gz JPLXTIUAFNPWGX-JQWIXIFHSA-N 0 0 285.334 3.280 20 10 CGCDRN CCc1noc(C)c1CN(C)c1ccc(OC)c(OC)c1 ZINC000757825509 626809368 /nfs/dbraw/zinc/80/93/68/626809368.db2.gz XVUGMFIFUQRDKF-UHFFFAOYSA-N 0 0 290.363 3.199 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(C)n2)cc1F ZINC000757851286 626810319 /nfs/dbraw/zinc/81/03/19/626810319.db2.gz HZKODOJAWONYHW-UHFFFAOYSA-N 0 0 260.312 3.174 20 10 CGCDRN CCC[C@H](CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874246384 634527119 /nfs/dbraw/zinc/52/71/19/634527119.db2.gz IJWACWLVCVUGEX-NSHDSACASA-N 0 0 276.340 3.158 20 10 CGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000758561861 626849389 /nfs/dbraw/zinc/84/93/89/626849389.db2.gz OPHRFYJSYZYDKO-SECBINFHSA-N 0 0 276.263 3.155 20 10 CGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1 ZINC000758562577 626849499 /nfs/dbraw/zinc/84/94/99/626849499.db2.gz UYXCROAKXZEBNG-MRVPVSSYSA-N 0 0 294.253 3.294 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760042166 626938041 /nfs/dbraw/zinc/93/80/41/626938041.db2.gz TYZARXRSEOHBIC-QMTHXVAHSA-N 0 0 276.336 3.284 20 10 CGCDRN CCCC1(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000760473501 626972990 /nfs/dbraw/zinc/97/29/90/626972990.db2.gz CELFQNMIFZHAQB-UHFFFAOYSA-N 0 0 286.419 3.266 20 10 CGCDRN CCc1ncc(CN(C)c2ccc(OC)c(OC)c2)s1 ZINC000761222169 627026019 /nfs/dbraw/zinc/02/60/19/627026019.db2.gz NJQOLVDEDXEWDE-UHFFFAOYSA-N 0 0 292.404 3.359 20 10 CGCDRN CCC(CC)(CC)C(=O)NCc1cccc(OC)c1O ZINC000761552303 627049618 /nfs/dbraw/zinc/04/96/18/627049618.db2.gz PQEHZVKLDCDIOQ-UHFFFAOYSA-N 0 0 279.380 3.233 20 10 CGCDRN C[S@](=O)Cc1ccccc1NCc1cc(F)ccc1O ZINC000762790283 627124478 /nfs/dbraw/zinc/12/44/78/627124478.db2.gz DITIZHWNOZCHKT-FQEVSTJZSA-N 0 0 293.363 3.022 20 10 CGCDRN Cc1cc(C)cc(NC(=S)NCc2ccc(F)cn2)c1 ZINC000763167198 627142920 /nfs/dbraw/zinc/14/29/20/627142920.db2.gz QYHDVZABOYHUQY-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN Cc1cccc(NC(=S)NCc2ccc(F)cn2)c1C ZINC000763167710 627143088 /nfs/dbraw/zinc/14/30/88/627143088.db2.gz UITRZGITEPRBEO-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCCc1ccncc1 ZINC000764956170 627233929 /nfs/dbraw/zinc/23/39/29/627233929.db2.gz RWFHDCOXPYZQFN-UHFFFAOYSA-N 0 0 282.387 3.476 20 10 CGCDRN CN(Cc1ccccc1O)c1ncc(Cl)s1 ZINC000765054715 627238551 /nfs/dbraw/zinc/23/85/51/627238551.db2.gz KGTBGLQAZRYNKR-UHFFFAOYSA-N 0 0 254.742 3.139 20 10 CGCDRN Oc1cc2c(cc1C[N@@H+]1CCOC3(CCCC3)C1)CCC2 ZINC000765102368 627240392 /nfs/dbraw/zinc/24/03/92/627240392.db2.gz LMLILEJASWHUKC-UHFFFAOYSA-N 0 0 287.403 3.026 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)n(C)n2)cc1Cl ZINC000767903040 627442779 /nfs/dbraw/zinc/44/27/79/627442779.db2.gz WPOSSDTUSVMINK-UHFFFAOYSA-N 0 0 279.771 3.027 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCc3ccc(O)cc3C2)cc1C ZINC000768867145 627504794 /nfs/dbraw/zinc/50/47/94/627504794.db2.gz DGCDKUDYFIDLRT-UHFFFAOYSA-N 0 0 283.371 3.273 20 10 CGCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769470021 627557124 /nfs/dbraw/zinc/55/71/24/627557124.db2.gz JEESKHLFGZHVEB-RKDXNWHRSA-N 0 0 284.743 3.184 20 10 CGCDRN CN(C)c1ccc(CN2CCOCC23CCCC3)cc1F ZINC000769532343 627563059 /nfs/dbraw/zinc/56/30/59/627563059.db2.gz JEHSNTIQMKXBFP-UHFFFAOYSA-N 0 0 292.398 3.037 20 10 CGCDRN COC(=O)c1cc(COc2ccc(N(C)C)cc2)c(C)o1 ZINC000810001504 627575578 /nfs/dbraw/zinc/57/55/78/627575578.db2.gz FGXQNNPLCLMVOD-UHFFFAOYSA-N 0 0 289.331 3.020 20 10 CGCDRN CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccccc1O ZINC000770505351 627623214 /nfs/dbraw/zinc/62/32/14/627623214.db2.gz QTZSTSHYFGQHHR-HZPDHXFCSA-N 0 0 277.408 3.418 20 10 CGCDRN C[C@@H]1c2c(F)cccc2CCN1C(=O)C1=CC(=O)CS1 ZINC000771066314 627680933 /nfs/dbraw/zinc/68/09/33/627680933.db2.gz QZBWKCGAQJUPLA-SECBINFHSA-N 0 0 291.347 3.352 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2C[C@H](C)Oc3ccccc32)c1 ZINC000772117595 627764077 /nfs/dbraw/zinc/76/40/77/627764077.db2.gz BQGQILQPQPBAAG-NPQIQWPPSA-N 0 0 294.354 3.217 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000773013453 627842655 /nfs/dbraw/zinc/84/26/55/627842655.db2.gz FXHPBTGKWVDCEY-LBPRGKRZSA-N 0 0 286.375 3.453 20 10 CGCDRN C[C@H](NC(=O)c1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000773018510 627843316 /nfs/dbraw/zinc/84/33/16/627843316.db2.gz MFYRMOFXMYINAU-LBPRGKRZSA-N 0 0 286.350 3.383 20 10 CGCDRN CCC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773129698 627860655 /nfs/dbraw/zinc/86/06/55/627860655.db2.gz NWULYOJTQONSDW-QWHCGFSZSA-N 0 0 277.412 3.301 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773273715 627870733 /nfs/dbraw/zinc/87/07/33/627870733.db2.gz PCWHWSCGSWEPCS-WWGRRREGSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@H](NC(=O)N[C@@H](C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000773412511 627881201 /nfs/dbraw/zinc/88/12/01/627881201.db2.gz CNROIAXCYXACTM-STQMWFEESA-N 0 0 289.423 3.301 20 10 CGCDRN CC(C)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773621319 627900414 /nfs/dbraw/zinc/90/04/14/627900414.db2.gz XJIZYADZBZGNPK-CYBMUJFWSA-N 0 0 277.412 3.159 20 10 CGCDRN CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775030160 628054761 /nfs/dbraw/zinc/05/47/61/628054761.db2.gz QYYXYYNYCWEVQI-QWRGUYRKSA-N 0 0 296.367 3.223 20 10 CGCDRN 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3.164 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc(N3CCC3=O)cc2)c1 ZINC000798502596 630060671 /nfs/dbraw/zinc/06/06/71/630060671.db2.gz RZZZPKDXAINPPQ-UHFFFAOYSA-N 0 0 282.343 3.049 20 10 CGCDRN CC[C@@H](NC(=O)NCc1ccccc1O)C1CCCC1 ZINC000836639798 634787835 /nfs/dbraw/zinc/78/78/35/634787835.db2.gz CQGKLUCIIPFOHN-CQSZACIVSA-N 0 0 276.380 3.160 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000800530675 630291468 /nfs/dbraw/zinc/29/14/68/630291468.db2.gz TYSWWJPJWXEUBR-UHFFFAOYSA-N 0 0 299.773 3.043 20 10 CGCDRN CC1(C)SC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000801735547 630353935 /nfs/dbraw/zinc/35/39/35/630353935.db2.gz KNMZCKOQRGXHDZ-SNVBAGLBSA-N 0 0 275.776 3.168 20 10 CGCDRN O=C(NCC1CC(c2ccccc2)C1)c1cccc(O)c1O ZINC000802189183 630382698 /nfs/dbraw/zinc/38/26/98/630382698.db2.gz SZBOGQZTRGVTOG-UHFFFAOYSA-N 0 0 297.354 3.021 20 10 CGCDRN O=C(NCC1CC(c2ccccc2)C1)C1=CC(=O)CS1 ZINC000802672383 630404403 /nfs/dbraw/zinc/40/44/03/630404403.db2.gz VWSMGZIYEUIQAL-UHFFFAOYSA-N 0 0 287.384 3.377 20 10 CGCDRN CC[C@H]([NH2+][C@H](CCO)C1CC1)c1cccc(Cl)c1[O-] ZINC000806147418 630548992 /nfs/dbraw/zinc/54/89/92/630548992.db2.gz XCCOTCHJINDHJO-UONOGXRCSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@H]([NH2+]CCN1CC=CCC1)c1cccc(Cl)c1[O-] ZINC000806162835 630551937 /nfs/dbraw/zinc/55/19/37/630551937.db2.gz HGCKKDHOCSTPMG-HNNXBMFYSA-N 0 0 294.826 3.348 20 10 CGCDRN CC(C)SCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000806167606 630552540 /nfs/dbraw/zinc/55/25/40/630552540.db2.gz BPHJUICGZIXKJF-VIFPVBQESA-N 0 0 275.364 3.463 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1sccc1C ZINC000808095391 630621785 /nfs/dbraw/zinc/62/17/85/630621785.db2.gz DMLPAONLSBERPC-UHFFFAOYSA-N 0 0 296.388 3.178 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCCCN1 ZINC000808096081 630621820 /nfs/dbraw/zinc/62/18/20/630621820.db2.gz FDQDINSPLMOVLV-UHFFFAOYSA-N 0 0 297.402 3.143 20 10 CGCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809692940 630784575 /nfs/dbraw/zinc/78/45/75/630784575.db2.gz KFVGWQFDQKOWEC-PHIMTYICSA-N 0 0 290.190 3.308 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2(F)CCCCC2)cc1 ZINC000809968866 630823247 /nfs/dbraw/zinc/82/32/47/630823247.db2.gz JBAFWDWNWWZHDO-UHFFFAOYSA-N 0 0 278.371 3.041 20 10 CGCDRN Oc1ccc(CCNc2ccc3ccc(F)cc3n2)cc1O ZINC000811810786 631121947 /nfs/dbraw/zinc/12/19/47/631121947.db2.gz CCYUCDOFPPXDRN-UHFFFAOYSA-N 0 0 298.317 3.440 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1ccns1)CCC2 ZINC000878711827 635613949 /nfs/dbraw/zinc/61/39/49/635613949.db2.gz SGYTUBJCZSRRDO-UHFFFAOYSA-N 0 0 290.388 3.113 20 10 CGCDRN CCN1C(=O)/C(=C/c2cc(F)ccc2OC)SC1=S ZINC000812240848 631231154 /nfs/dbraw/zinc/23/11/54/631231154.db2.gz URYPXQPEWSRAPF-XFFZJAGNSA-N 0 0 297.376 3.055 20 10 CGCDRN C=Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000812773563 631305474 /nfs/dbraw/zinc/30/54/74/631305474.db2.gz ZWXRMXZLXRCOFE-UHFFFAOYSA-N 0 0 298.342 3.276 20 10 CGCDRN CCCN(CCC)c1ccc(C[NH2+][C@@H](C)CC(=O)[O-])cc1 ZINC000813354807 631414941 /nfs/dbraw/zinc/41/49/41/631414941.db2.gz GGSSFCYFDKZZHU-AWEZNQCLSA-N 0 0 292.423 3.266 20 10 CGCDRN Cc1noc(C)c1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000814186005 631541049 /nfs/dbraw/zinc/54/10/49/631541049.db2.gz UHMNRIJGQKRUPY-IZZDOVSWSA-N 0 0 294.401 3.045 20 10 CGCDRN Oc1ccc2c(c1CNc1nnc(C(F)F)o1)CCCC2 ZINC000814362755 631574100 /nfs/dbraw/zinc/57/41/00/631574100.db2.gz BQLUTZGIUKNIAV-UHFFFAOYSA-N 0 0 295.289 3.204 20 10 CGCDRN CCN(Cc1nnc(C(C)(C)C)[nH]1)c1ccc(OC)cc1 ZINC000814626654 631613490 /nfs/dbraw/zinc/61/34/90/631613490.db2.gz WOZLCHCXKPXOJB-UHFFFAOYSA-N 0 0 288.395 3.137 20 10 CGCDRN CCc1onc(C)c1NC(=O)N[C@H](C)c1ccccc1O ZINC000879046551 635689523 /nfs/dbraw/zinc/68/95/23/635689523.db2.gz CXXGBDPBVGLQQY-SECBINFHSA-N 0 0 289.335 3.134 20 10 CGCDRN C[C@@H]([NH2+]CCCCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000815622457 631807633 /nfs/dbraw/zinc/80/76/33/631807633.db2.gz VWUCBLIGVSGYHZ-SNVBAGLBSA-N 0 0 291.313 3.224 20 10 CGCDRN C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccccc1O ZINC000815632265 631809406 /nfs/dbraw/zinc/80/94/06/631809406.db2.gz IONPAHKMTIIDJK-SECBINFHSA-N 0 0 289.310 3.195 20 10 CGCDRN C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000815648012 631813021 /nfs/dbraw/zinc/81/30/21/631813021.db2.gz BROZZJWETGHGJR-GXTWGEPZSA-N 0 0 295.398 3.371 20 10 CGCDRN Oc1c(CN2CCCc3n[nH]cc32)ccc2ccccc21 ZINC000816594326 632020088 /nfs/dbraw/zinc/02/00/88/632020088.db2.gz ZHLXNTQRUUXWLW-UHFFFAOYSA-N 0 0 279.343 3.221 20 10 CGCDRN CCOC1CC([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816612386 632022506 /nfs/dbraw/zinc/02/25/06/632022506.db2.gz NLYMDESAOLRTRA-UHFFFAOYSA-N 0 0 287.762 3.184 20 10 CGCDRN Cc1cc(C(=O)N[C@@H](C)CF)c(C)n1-c1ccc(F)cc1 ZINC000817126994 632087024 /nfs/dbraw/zinc/08/70/24/632087024.db2.gz URWXIAZSBLASJF-JTQLQIEISA-N 0 0 292.329 3.321 20 10 CGCDRN CCN(Cc1nn(C)cc1Cl)c1ccc(OC)cc1 ZINC000817274754 632112192 /nfs/dbraw/zinc/11/21/92/632112192.db2.gz QIAGYDXKEGWEJJ-UHFFFAOYSA-N 0 0 279.771 3.109 20 10 CGCDRN Cc1cc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)nn1C ZINC000817762517 632223291 /nfs/dbraw/zinc/22/32/91/632223291.db2.gz VRLIZKWUZJIGJU-UHFFFAOYSA-N 0 0 297.358 3.056 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942154 632240896 /nfs/dbraw/zinc/24/08/96/632240896.db2.gz XMEFISKATSTVIL-DTWKUNHWSA-N 0 0 289.206 3.102 20 10 CGCDRN Cc1ccc(C(=O)NC(C)(C)c2ccccc2C)c(O)c1O ZINC000818337788 632310055 /nfs/dbraw/zinc/31/00/55/632310055.db2.gz RSJAQTHLZMTALU-UHFFFAOYSA-N 0 0 299.370 3.380 20 10 CGCDRN CC(C)[C@H]1CC[C@H](C(=O)NCCc2ccc(N)cc2)CC1 ZINC000818544574 632332216 /nfs/dbraw/zinc/33/22/16/632332216.db2.gz CKTBMUUSEXPRQJ-WKILWMFISA-N 0 0 288.435 3.390 20 10 CGCDRN Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(N)cc1 ZINC000818556339 632334324 /nfs/dbraw/zinc/33/43/24/632334324.db2.gz NAKZJOWBUMZYBH-SECBINFHSA-N 0 0 273.336 3.006 20 10 CGCDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cnn(C)c1 ZINC000818809468 632351478 /nfs/dbraw/zinc/35/14/78/632351478.db2.gz PYNCLEDYQFROLM-ALCCZGGFSA-N 0 0 289.766 3.058 20 10 CGCDRN CCOC[C@@H](O)CNc1ccc(Nc2ccccc2)cc1 ZINC000819395484 632449740 /nfs/dbraw/zinc/44/97/40/632449740.db2.gz MSVHYKUJYOBZTL-KRWDZBQOSA-N 0 0 286.375 3.240 20 10 CGCDRN O[C@@H](CNc1ccccc1OCC(F)F)CC(F)(F)F ZINC000819460282 632462695 /nfs/dbraw/zinc/46/26/95/632462695.db2.gz JMUGWCIWIVVJNY-MRVPVSSYSA-N 0 0 299.239 3.056 20 10 CGCDRN Clc1ccc(NCCCSc2nccs2)nn1 ZINC000819918408 632534513 /nfs/dbraw/zinc/53/45/13/632534513.db2.gz PHNDXBBBHZUQQM-UHFFFAOYSA-N 0 0 286.813 3.181 20 10 CGCDRN O=C(OCC[C@@H]1CC1(Cl)Cl)C1=CC(=O)CS1 ZINC000820363253 632606483 /nfs/dbraw/zinc/60/64/83/632606483.db2.gz OFEKMCKXMDDQSQ-ZCFIWIBFSA-N 0 0 281.160 3.194 20 10 CGCDRN CC1(C)CC[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000820451137 632630583 /nfs/dbraw/zinc/63/05/83/632630583.db2.gz RQZORDUCSRZSGP-FVOPLDGLSA-N 0 0 276.332 3.233 20 10 CGCDRN COc1ccc2c(c1)CCCN2C(=O)C1=CC(=O)CS1 ZINC000820500608 632639271 /nfs/dbraw/zinc/63/92/71/632639271.db2.gz NSYUYEMNDVWINV-UHFFFAOYSA-N 0 0 289.356 3.055 20 10 CGCDRN CC1(C)CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820656119 632661384 /nfs/dbraw/zinc/66/13/84/632661384.db2.gz QPNCZCPGRFRBHQ-GFCCVEGCSA-N 0 0 288.351 3.158 20 10 CGCDRN Cc1cc(C)cc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000821748375 632815187 /nfs/dbraw/zinc/81/51/87/632815187.db2.gz YCBYFXWEAAZHKD-UHFFFAOYSA-N 0 0 298.386 3.351 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000822265095 632892173 /nfs/dbraw/zinc/89/21/73/632892173.db2.gz IYRIYKVVYWFCOC-VYDXJSESSA-N 0 0 286.419 3.147 20 10 CGCDRN C[C@@H](NCc1cc2n(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000844322454 635869783 /nfs/dbraw/zinc/86/97/83/635869783.db2.gz NCBYBMAMXVLMBE-CQSZACIVSA-N 0 0 298.434 3.136 20 10 CGCDRN CCc1ncnc(N[C@@H](C)c2ccccc2O)c1F ZINC000866239345 633040297 /nfs/dbraw/zinc/04/02/97/633040297.db2.gz UYHZEFBUBIMJKT-VIFPVBQESA-N 0 0 261.300 3.057 20 10 CGCDRN CC[C@H]1CCN(c2nc(-c3ccc(O)c(O)c3)cs2)C1 ZINC000823326830 633090465 /nfs/dbraw/zinc/09/04/65/633090465.db2.gz OOSGYBOTDSYWFY-JTQLQIEISA-N 0 0 290.388 3.458 20 10 CGCDRN CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(Cl)c1[O-] ZINC000866442805 633134075 /nfs/dbraw/zinc/13/40/75/633134075.db2.gz TVRMPQHUVLAMQL-WDEREUQCSA-N 0 0 293.741 3.102 20 10 CGCDRN C[C@@H](Nc1cnn2c1CCCC2)c1cc(F)cc(F)c1O ZINC000866462032 633144844 /nfs/dbraw/zinc/14/48/44/633144844.db2.gz YHESQSWCSGLWSW-SECBINFHSA-N 0 0 293.317 3.376 20 10 CGCDRN CC/C=C(\F)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000867503587 633249013 /nfs/dbraw/zinc/24/90/13/633249013.db2.gz MRZWBOJQLFQCHH-RZBIUYHXSA-N 0 0 264.344 3.193 20 10 CGCDRN C[C@H](NC(=O)C1(C(F)F)CCC1)c1ccc(N(C)C)cc1 ZINC000867504173 633249175 /nfs/dbraw/zinc/24/91/75/633249175.db2.gz SKXOAOMJKIYVHN-NSHDSACASA-N 0 0 296.361 3.365 20 10 CGCDRN CCN(CC)c1ccc(CN2CC3(CC3)C2)cc1F ZINC000824533789 633254896 /nfs/dbraw/zinc/25/48/96/633254896.db2.gz OCXPKMHWEAXSEA-UHFFFAOYSA-N 0 0 262.372 3.268 20 10 CGCDRN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000824636970 633266552 /nfs/dbraw/zinc/26/65/52/633266552.db2.gz VUTIRVJUMARUGD-NVXWUHKLSA-N 0 0 285.387 3.138 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1O ZINC000867968465 633282531 /nfs/dbraw/zinc/28/25/31/633282531.db2.gz DNMFVURYYLJMTH-OBJOEFQTSA-N 0 0 276.380 3.331 20 10 CGCDRN C[C@@H](NC(=O)NCCc1ccsc1)c1ccccc1O ZINC000868039168 633290946 /nfs/dbraw/zinc/29/09/46/633290946.db2.gz OCWHIDSBCCCNOF-LLVKDONJSA-N 0 0 290.388 3.057 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000824914641 633305331 /nfs/dbraw/zinc/30/53/31/633305331.db2.gz WOYMZXJLMHNQER-ZDUSSCGKSA-N 0 0 283.824 3.373 20 10 CGCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])c2nccn21 ZINC000825017355 633317845 /nfs/dbraw/zinc/31/78/45/633317845.db2.gz PNYKVFGJHLDYIA-QPUJVOFHSA-N 0 0 295.745 3.177 20 10 CGCDRN CC[C@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868394320 633319840 /nfs/dbraw/zinc/31/98/40/633319840.db2.gz QYJVLANTKFCIEN-SGMGOOAPSA-N 0 0 276.380 3.331 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134070 633331740 /nfs/dbraw/zinc/33/17/40/633331740.db2.gz ULJQRQYMEWSZSU-OAHLLOKOSA-N 0 0 299.773 3.187 20 10 CGCDRN C[C@H](NC(=O)NOC1CCCCC1)c1ccccc1O ZINC000868520017 633332030 /nfs/dbraw/zinc/33/20/30/633332030.db2.gz JEAYWYHAYDEJGU-NSHDSACASA-N 0 0 278.352 3.017 20 10 CGCDRN C[C@H](NC(=O)NC[C@@H]1CCC[C@H]1C)c1ccccc1O ZINC000868578291 633338911 /nfs/dbraw/zinc/33/89/11/633338911.db2.gz ZQKLJGQUIFYTCH-AGIUHOORSA-N 0 0 276.380 3.189 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CCC[C@H](COC)CC2)c1O ZINC000825321596 633344411 /nfs/dbraw/zinc/34/44/11/633344411.db2.gz IHPWXZLOPFNMEM-AWEZNQCLSA-N 0 0 293.407 3.039 20 10 CGCDRN CCC(CC)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000825326104 633345898 /nfs/dbraw/zinc/34/58/98/633345898.db2.gz OLRVDTHGRKNDBB-UHFFFAOYSA-N 0 0 253.367 3.247 20 10 CGCDRN C[C@@H](NC(=O)NCC1=CCCCC1)c1ccccc1O ZINC000868658011 633348758 /nfs/dbraw/zinc/34/87/58/633348758.db2.gz LVVBFOAJEKCPNF-GFCCVEGCSA-N 0 0 274.364 3.253 20 10 CGCDRN C[C@@H](CC1CCC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868983746 633387873 /nfs/dbraw/zinc/38/78/73/633387873.db2.gz INHITQAIYBCWDV-RYUDHWBXSA-N 0 0 276.380 3.331 20 10 CGCDRN CCOc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000826539654 633412180 /nfs/dbraw/zinc/41/21/80/633412180.db2.gz XOWWUQUMJNIUKY-WFASDCNBSA-N 0 0 261.365 3.165 20 10 CGCDRN CC(C)(C)OCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827169483 633466483 /nfs/dbraw/zinc/46/64/83/633466483.db2.gz DKBQBQJSCAAXFT-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CC=CCC2)c1 ZINC000827165791 633466587 /nfs/dbraw/zinc/46/65/87/633466587.db2.gz AZYHQLFHFZCWBK-ZDUSSCGKSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1cc(O)c(C[NH2+]CCc2ccoc2)cc1Cl ZINC000827230639 633473578 /nfs/dbraw/zinc/47/35/78/633473578.db2.gz VJMPWLWOHHBKRG-UHFFFAOYSA-N 0 0 265.740 3.279 20 10 CGCDRN C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1O ZINC000827922936 633534346 /nfs/dbraw/zinc/53/43/46/633534346.db2.gz DWXDBNBLYDRSPV-SNVBAGLBSA-N 0 0 287.384 3.433 20 10 CGCDRN CS[C@@H](C)CCC(=O)N[C@H](C)c1ccccc1O ZINC000827940393 633537111 /nfs/dbraw/zinc/53/71/11/633537111.db2.gz CWKGAYREWZPAJU-WDEREUQCSA-N 0 0 267.394 3.101 20 10 CGCDRN C[C@@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1ccccc1O ZINC000827941858 633538052 /nfs/dbraw/zinc/53/80/52/633538052.db2.gz YZNWTDXPHFNMCM-YNEHKIRRSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccccc1O ZINC000827952147 633538907 /nfs/dbraw/zinc/53/89/07/633538907.db2.gz HSRFCGJYDXDOIQ-LPXQKFACSA-N 0 0 273.376 3.396 20 10 CGCDRN C[C@@H](NC(=O)/C=C\C1CCCC1)c1ccccc1O ZINC000827952592 633539767 /nfs/dbraw/zinc/53/97/67/633539767.db2.gz YFBAEQGPPZJJBA-NLYDNYMLSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCCC12CC2)c1ccccc1O ZINC000827956847 633540714 /nfs/dbraw/zinc/54/07/14/633540714.db2.gz PICNTNKRAOWKNH-DGCLKSJQSA-N 0 0 259.349 3.150 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1O ZINC000827960448 633541180 /nfs/dbraw/zinc/54/11/80/633541180.db2.gz PGGLCUDIBMYRCU-UMSGYPCISA-N 0 0 259.349 3.006 20 10 CGCDRN CC[C@@H](C)CC[C@H](O)CC(=O)N[C@@H](C)c1ccccc1O ZINC000827964860 633542166 /nfs/dbraw/zinc/54/21/66/633542166.db2.gz XZJWDHDFHLZRLT-RDBSUJKOSA-N 0 0 293.407 3.147 20 10 CGCDRN C[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1ccccc1O ZINC000827973217 633542807 /nfs/dbraw/zinc/54/28/07/633542807.db2.gz LEZJVIOVMKVUBK-RSVDQLGHSA-N 0 0 259.349 3.316 20 10 CGCDRN C/C=C(/C=C/C(=O)N[C@@H](C)c1ccccc1O)CC ZINC000827973582 633543733 /nfs/dbraw/zinc/54/37/33/633543733.db2.gz UBFSWXBEGMQHGW-MMGZVELVSA-N 0 0 259.349 3.482 20 10 CGCDRN C[C@H](NC(=O)CO[C@H]1CCC[C@H](C)C1)c1ccccc1O ZINC000827978635 633544119 /nfs/dbraw/zinc/54/41/19/633544119.db2.gz YUPQGWSBTRZRMS-IHRRRGAJSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000828861131 633662856 /nfs/dbraw/zinc/66/28/56/633662856.db2.gz LWWBCXFOUSMISK-GUSZCTEKSA-N 0 0 286.419 3.366 20 10 CGCDRN C[C@H]1CCC[C@@H](C2CN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000829108796 633695979 /nfs/dbraw/zinc/69/59/79/633695979.db2.gz VBKUYSIBULWWDQ-WDEREUQCSA-N 0 0 279.405 3.352 20 10 CGCDRN COc1ccc(O)c([C@H](C)NCc2coc(C3CC3)n2)c1 ZINC000845973295 636126193 /nfs/dbraw/zinc/12/61/93/636126193.db2.gz XKXLOMUGZIEAOD-JTQLQIEISA-N 0 0 288.347 3.117 20 10 CGCDRN O=C(CCCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871200462 633723234 /nfs/dbraw/zinc/72/32/34/633723234.db2.gz CHUFMFSBCOTIFB-UHFFFAOYSA-N 0 0 281.355 3.257 20 10 CGCDRN CC(C)C[C@@H](C)OCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871204371 633724463 /nfs/dbraw/zinc/72/44/63/633724463.db2.gz ZMPJLQALUDRCMV-CYBMUJFWSA-N 0 0 291.391 3.076 20 10 CGCDRN CC[C@H]1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205723 633725091 /nfs/dbraw/zinc/72/50/91/633725091.db2.gz XLCUGRJUQSRUEO-GXTWGEPZSA-N 0 0 273.376 3.451 20 10 CGCDRN CCCCCCO[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206092 633726602 /nfs/dbraw/zinc/72/66/02/633726602.db2.gz RDUKPMRHIXDCCX-ZDUSSCGKSA-N 0 0 291.391 3.220 20 10 CGCDRN COC(=O)c1cnc(SCC(=O)CC(C)(C)C)s1 ZINC000829677821 633764405 /nfs/dbraw/zinc/76/44/05/633764405.db2.gz NBIONMFPSYVKCQ-UHFFFAOYSA-N 0 0 287.406 3.027 20 10 CGCDRN C[C@@H]1Cc2ncn(Cc3ccc(N(C)C)cc3)c2C[C@@H]1C ZINC000830918590 633898050 /nfs/dbraw/zinc/89/80/50/633898050.db2.gz GCMLVKDJKUHDHM-KGLIPLIRSA-N 0 0 283.419 3.368 20 10 CGCDRN CC[C@@H](CC(C)C)C(=O)NCc1ccc(OC)cc1O ZINC000831032868 633911759 /nfs/dbraw/zinc/91/17/59/633911759.db2.gz LCOKLYYHGXQBFL-LBPRGKRZSA-N 0 0 279.380 3.089 20 10 CGCDRN CSc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000019281553 633928951 /nfs/dbraw/zinc/92/89/51/633928951.db2.gz CJTCIYNKCKYVIB-UHFFFAOYSA-N 0 0 272.373 3.172 20 10 CGCDRN COc1ccc(N(Cc2nc(C3CC3)no2)CC2CC2)cc1 ZINC000831583293 633979367 /nfs/dbraw/zinc/97/93/67/633979367.db2.gz UZSWYDKHCHILNZ-UHFFFAOYSA-N 0 0 299.374 3.372 20 10 CGCDRN CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000831953206 634016770 /nfs/dbraw/zinc/01/67/70/634016770.db2.gz WITSKEQSOCRKEP-XJKSGUPXSA-N 0 0 274.408 3.239 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cc(F)cc(F)c1[O-] ZINC000872105435 634025821 /nfs/dbraw/zinc/02/58/21/634025821.db2.gz IWKSXPRIAFBFJI-ONGXEEELSA-N 0 0 285.334 3.136 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(CC3)C2)cc1 ZINC000833326491 634115903 /nfs/dbraw/zinc/11/59/03/634115903.db2.gz BFMDBAPXLCAAGC-UHFFFAOYSA-N 0 0 280.371 3.330 20 10 CGCDRN C/C=C(/C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124174715 634181619 /nfs/dbraw/zinc/18/16/19/634181619.db2.gz LMRRXQNGSOZFBR-DXNYSGJVSA-N 0 0 285.343 3.480 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1cnn(CC3CC3)c1)CC2 ZINC000834733293 634231158 /nfs/dbraw/zinc/23/11/58/634231158.db2.gz CRSZHVQVTDLSOV-CQSZACIVSA-N 0 0 269.348 3.098 20 10 CGCDRN CCC[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834841639 634254693 /nfs/dbraw/zinc/25/46/93/634254693.db2.gz XUUAZWNMDUSCKQ-MWLCHTKSSA-N 0 0 273.323 3.136 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2ccnn2CC2CC2)cc1 ZINC000835043539 634331295 /nfs/dbraw/zinc/33/12/95/634331295.db2.gz RMYZQZNVXZQLFW-ARJAWSKDSA-N 0 0 296.418 3.484 20 10 CGCDRN CSCC[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876755607 634892690 /nfs/dbraw/zinc/89/26/90/634892690.db2.gz VLPAZQOUCFSHLD-VIFPVBQESA-N 0 0 275.364 3.244 20 10 CGCDRN CC(C)Oc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000126240522 634926129 /nfs/dbraw/zinc/92/61/29/634926129.db2.gz ADCBSJXVSUQIAL-UHFFFAOYSA-N 0 0 287.315 3.137 20 10 CGCDRN C[C@H](NC(=O)c1[nH]ccc1C1CC1)c1ccc(N(C)C)cc1 ZINC000837542719 634929761 /nfs/dbraw/zinc/92/97/61/634929761.db2.gz RDXJECOICAPXQJ-LBPRGKRZSA-N 0 0 297.402 3.449 20 10 CGCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000126312803 634958994 /nfs/dbraw/zinc/95/89/94/634958994.db2.gz QSWLYOWOSKVGMC-VIFPVBQESA-N 0 0 291.734 3.242 20 10 CGCDRN Cc1ccc(C(=O)N(C)c2ccc(N)cc2)c(C2CC2)n1 ZINC000877074231 634973010 /nfs/dbraw/zinc/97/30/10/634973010.db2.gz DBTSNOXVXORETH-UHFFFAOYSA-N 0 0 281.359 3.126 20 10 CGCDRN CN(C(=O)C1(Cc2ccccc2F)CC1)c1ccc(N)cc1 ZINC000877076754 634974800 /nfs/dbraw/zinc/97/48/00/634974800.db2.gz UYFCRZWJCBSAFS-UHFFFAOYSA-N 0 0 298.361 3.394 20 10 CGCDRN COc1ccc(CCCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080090 634977123 /nfs/dbraw/zinc/97/71/23/634977123.db2.gz GLHBBWGVOOZCBN-UHFFFAOYSA-N 0 0 298.386 3.263 20 10 CGCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC(C)(C)C1 ZINC000840538973 635021018 /nfs/dbraw/zinc/02/10/18/635021018.db2.gz UILGNBWQWVHBPJ-VURMDHGXSA-N 0 0 289.375 3.148 20 10 CGCDRN CCCOc1ccc(CN[C@H](C)c2nc(C)no2)cc1C ZINC000877469838 635048812 /nfs/dbraw/zinc/04/88/12/635048812.db2.gz ADHOHRPOJMSWAM-GFCCVEGCSA-N 0 0 289.379 3.326 20 10 CGCDRN Cc1cccc2c1C(=O)N[C@H](c1ccc(N(C)C)cc1C)N2 ZINC000840788085 635053063 /nfs/dbraw/zinc/05/30/63/635053063.db2.gz LXTJZFXFLHDBBC-QGZVFWFLSA-N 0 0 295.386 3.224 20 10 CGCDRN CCN(C)c1ccc([C@@H](C)NCc2ccn(CC)n2)cc1 ZINC000840839835 635062513 /nfs/dbraw/zinc/06/25/13/635062513.db2.gz UYEVVOIFJOONLW-CQSZACIVSA-N 0 0 286.423 3.210 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2c2ccncc2)ccc(F)c1F ZINC000877524396 635071800 /nfs/dbraw/zinc/07/18/00/635071800.db2.gz WTNLSXKKZUQAOR-AWEZNQCLSA-N 0 0 290.313 3.403 20 10 CGCDRN COCCc1ccnc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840884944 635073921 /nfs/dbraw/zinc/07/39/21/635073921.db2.gz RUDCNULIYPPLEP-UHFFFAOYSA-N 0 0 299.418 3.257 20 10 CGCDRN Cc1cnc(CNCc2c(O)cc(C)cc2Cl)s1 ZINC000840906987 635079331 /nfs/dbraw/zinc/07/93/31/635079331.db2.gz YZGKKBACUYURJV-UHFFFAOYSA-N 0 0 282.796 3.409 20 10 CGCDRN Cc1cc(N(C)C)ccc1CN(CC(F)F)C1CC1 ZINC000840917529 635082527 /nfs/dbraw/zinc/08/25/27/635082527.db2.gz JWWQYFMOOIDPEK-UHFFFAOYSA-N 0 0 268.351 3.291 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)nn2)cc1Cl ZINC000840936810 635085717 /nfs/dbraw/zinc/08/57/17/635085717.db2.gz MODUYWPIVFTLOO-UHFFFAOYSA-N 0 0 277.755 3.083 20 10 CGCDRN [O-]c1c(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)ccc(F)c1F ZINC000877568595 635095039 /nfs/dbraw/zinc/09/50/39/635095039.db2.gz SALMFLDTXIUQSK-SWLSCSKDSA-N 0 0 279.330 3.291 20 10 CGCDRN COC1([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000840969818 635096825 /nfs/dbraw/zinc/09/68/25/635096825.db2.gz LHJRRRCGDBGCLS-VIFPVBQESA-N 0 0 287.762 3.232 20 10 CGCDRN Oc1ccccc1CN1CCCNc2ccccc21 ZINC000841088839 635119753 /nfs/dbraw/zinc/11/97/53/635119753.db2.gz CUHFXKMCESBLDP-UHFFFAOYSA-N 0 0 254.333 3.214 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc2c(c1)CCOC2 ZINC000877630615 635121539 /nfs/dbraw/zinc/12/15/39/635121539.db2.gz HHYXDADMJPBNCV-UHFFFAOYSA-N 0 0 269.344 3.385 20 10 CGCDRN COCc1csc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877631841 635122799 /nfs/dbraw/zinc/12/27/99/635122799.db2.gz WUCPCVSGAHBZED-UHFFFAOYSA-N 0 0 299.342 3.168 20 10 CGCDRN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccc(N)cc1 ZINC000841297873 635148493 /nfs/dbraw/zinc/14/84/93/635148493.db2.gz JLIOPNBMRHPLSK-HUUCEWRRSA-N 0 0 275.396 3.413 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300118 635149921 /nfs/dbraw/zinc/14/99/21/635149921.db2.gz NYRXVKYAEBCXOP-VXGBXAGGSA-N 0 0 261.369 3.311 20 10 CGCDRN CC1CCC(C)(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841300234 635150015 /nfs/dbraw/zinc/15/00/15/635150015.db2.gz NKUGRHLJVWHBOL-UHFFFAOYSA-N 0 0 261.369 3.359 20 10 CGCDRN Cc1csc(C(C)(C)NC(=O)Nc2ccc(N)cc2)n1 ZINC000841301024 635151154 /nfs/dbraw/zinc/15/11/54/635151154.db2.gz ZTDOBWDHZUZGFY-UHFFFAOYSA-N 0 0 290.392 3.091 20 10 CGCDRN CCOc1ccc(CN2Cc3cccc(O)c3C2)cc1OC ZINC000877703505 635155352 /nfs/dbraw/zinc/15/53/52/635155352.db2.gz MNBPGHNRRHDPAB-UHFFFAOYSA-N 0 0 299.370 3.315 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(Cl)cc1[O-] ZINC000841749028 635225150 /nfs/dbraw/zinc/22/51/50/635225150.db2.gz BFIDZRJNSALYPO-GMXVVIOVSA-N 0 0 283.799 3.247 20 10 CGCDRN CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755410 635229201 /nfs/dbraw/zinc/22/92/01/635229201.db2.gz PENOAKFDSMLSCQ-MFKMUULPSA-N 0 0 271.788 3.103 20 10 CGCDRN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Cl)cc1[O-] ZINC000841758259 635232107 /nfs/dbraw/zinc/23/21/07/635232107.db2.gz KVZMYYAQBSCWJO-VLRKGOCCSA-N 0 0 283.799 3.390 20 10 CGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC000841795160 635236686 /nfs/dbraw/zinc/23/66/86/635236686.db2.gz MVKKDCRTASUVOI-KRWDZBQOSA-N 0 0 299.370 3.228 20 10 CGCDRN O=C1N[C@@H](c2cc(Cl)c(F)cc2O)Nc2ccccc21 ZINC000877841180 635237964 /nfs/dbraw/zinc/23/79/64/635237964.db2.gz DPJKEPPHLGBLKX-ZDUSSCGKSA-N 0 0 292.697 3.039 20 10 CGCDRN Cc1cc(O)c([C@@H]2NC(=O)c3ccccc3N2)cc1Cl ZINC000877844792 635239937 /nfs/dbraw/zinc/23/99/37/635239937.db2.gz ZFFUVGPCZOHWHJ-AWEZNQCLSA-N 0 0 288.734 3.208 20 10 CGCDRN C[C@@H]1CCC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958280 635252292 /nfs/dbraw/zinc/25/22/92/635252292.db2.gz XUFQPPVDPJCXPJ-CZUORRHYSA-N 0 0 289.423 3.031 20 10 CGCDRN CN(C(=O)NCCc1ccc(N)cc1)C1CCCCCC1 ZINC000841962428 635253117 /nfs/dbraw/zinc/25/31/17/635253117.db2.gz PEKAQMZMURFIOG-UHFFFAOYSA-N 0 0 289.423 3.176 20 10 CGCDRN CCC(CC)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104803335 635396803 /nfs/dbraw/zinc/39/68/03/635396803.db2.gz NBRTUTCGZRKUGN-UHFFFAOYSA-N 0 0 291.439 3.330 20 10 CGCDRN COc1ccc(N(C)Cc2coc(C3CC3)n2)c(OC)c1 ZINC000878294560 635448813 /nfs/dbraw/zinc/44/88/13/635448813.db2.gz LOHDUBMOPHVLLG-UHFFFAOYSA-N 0 0 288.347 3.206 20 10 CGCDRN CC[C@H](N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000842926147 635513463 /nfs/dbraw/zinc/51/34/63/635513463.db2.gz SXEFIEDOGYEYTM-YPMHNXCESA-N 0 0 279.380 3.163 20 10 CGCDRN CC(C)(CC(=O)NCc1ccccc1O)CC(F)(F)F ZINC000878559361 635556430 /nfs/dbraw/zinc/55/64/30/635556430.db2.gz DHLHJJARFGWMAG-UHFFFAOYSA-N 0 0 289.297 3.377 20 10 CGCDRN COc1ccc(N(C)Cc2cc3n(n2)CCCC3)cc1F ZINC000844301997 635864102 /nfs/dbraw/zinc/86/41/02/635864102.db2.gz CCKMOXVOEZHQTI-UHFFFAOYSA-N 0 0 289.354 3.004 20 10 CGCDRN COc1ccc(N(C)Cc2csc([C@H](C)OC)n2)cc1 ZINC000844353205 635877686 /nfs/dbraw/zinc/87/76/86/635877686.db2.gz QWKILBSDWIOKFA-NSHDSACASA-N 0 0 292.404 3.496 20 10 CGCDRN Oc1cc2c(cc1CN1CCCC(F)(F)C1)CCC2 ZINC000844715996 635956846 /nfs/dbraw/zinc/95/68/46/635956846.db2.gz PKFSYZKHCBBZRG-UHFFFAOYSA-N 0 0 267.319 3.112 20 10 CGCDRN CCC(C)(C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844852971 635975108 /nfs/dbraw/zinc/97/51/08/635975108.db2.gz BJPIVCRAGMRPBC-UHFFFAOYSA-N 0 0 292.423 3.026 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845133535 636009525 /nfs/dbraw/zinc/00/95/25/636009525.db2.gz OAJMSPDDFXWCBE-SKDRFNHKSA-N 0 0 282.771 3.033 20 10 CGCDRN CC(C)=CCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845146664 636010041 /nfs/dbraw/zinc/01/00/41/636010041.db2.gz LFYRIKKMQJLELH-UHFFFAOYSA-N 0 0 282.771 3.201 20 10 CGCDRN Oc1ccc(Cl)cc1CNc1ncc2c(n1)CCCC2 ZINC000845709576 636084733 /nfs/dbraw/zinc/08/47/33/636084733.db2.gz VHQBZXVRADOLHA-UHFFFAOYSA-N 0 0 289.766 3.327 20 10 CGCDRN CC(C)C[C@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881317398 636097386 /nfs/dbraw/zinc/09/73/86/636097386.db2.gz RKJWHNCDKCFDGZ-LBPRGKRZSA-N 0 0 274.368 3.046 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCOC1 ZINC000846051068 636138367 /nfs/dbraw/zinc/13/83/67/636138367.db2.gz ARJDKSPUCQNYMT-LLVKDONJSA-N 0 0 287.762 3.186 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000846311512 636174893 /nfs/dbraw/zinc/17/48/93/636174893.db2.gz WSUCGCMAZUWXTI-GXFFZTMASA-N 0 0 261.369 3.215 20 10 CGCDRN CC[C@H](C)[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473262 636187297 /nfs/dbraw/zinc/18/72/97/636187297.db2.gz KZSKREHNQITRIE-UWVGGRQHSA-N 0 0 269.772 3.344 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@@H]1C1CCCC1 ZINC000846477502 636188748 /nfs/dbraw/zinc/18/87/48/636188748.db2.gz RLFPEIVKGZBGHE-KGLIPLIRSA-N 0 0 293.794 3.488 20 10 CGCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC000846476280 636188899 /nfs/dbraw/zinc/18/88/99/636188899.db2.gz MSOGZMSJDGIDGX-SNVBAGLBSA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CCC1 ZINC000846476604 636189136 /nfs/dbraw/zinc/18/91/36/636189136.db2.gz NPBZVBIDZUKCHI-VIFPVBQESA-N 0 0 267.756 3.098 20 10 CGCDRN O=C1CCCc2cc(NCc3ccccc3O)ccc2N1 ZINC000130463688 636457649 /nfs/dbraw/zinc/45/76/49/636457649.db2.gz NBXLSNGBMVAICR-UHFFFAOYSA-N 0 0 282.343 3.279 20 10 CGCDRN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883161906 636559611 /nfs/dbraw/zinc/55/96/11/636559611.db2.gz DXANSUFMSXRVLJ-HAQNSBGRSA-N 0 0 285.334 3.106 20 10 CGCDRN COCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000848561018 636606478 /nfs/dbraw/zinc/60/64/78/636606478.db2.gz NVHOLISUAXNFFI-SNVBAGLBSA-N 0 0 269.772 3.123 20 10 CGCDRN COc1ccc2c(c1)N(Cc1ccccc1O)C[C@H](C)O2 ZINC000131290155 636612850 /nfs/dbraw/zinc/61/28/50/636612850.db2.gz CTAMPMDCNZYWCM-LBPRGKRZSA-N 0 0 285.343 3.188 20 10 CGCDRN CCc1cccc(CNc2cccc([S@](C)=O)c2)c1O ZINC000848891949 636678627 /nfs/dbraw/zinc/67/86/27/636678627.db2.gz GIAIALYPAOCTFE-FQEVSTJZSA-N 0 0 289.400 3.304 20 10 CGCDRN CCc1cccc(CNc2cccc([S@@](C)=O)c2)c1O ZINC000848891950 636678716 /nfs/dbraw/zinc/67/87/16/636678716.db2.gz GIAIALYPAOCTFE-HXUWFJFHSA-N 0 0 289.400 3.304 20 10 CGCDRN CCc1cccc(CN[C@@H](CC)C(F)(F)F)c1O ZINC000848905962 636684254 /nfs/dbraw/zinc/68/42/54/636684254.db2.gz OBWRPIKQUBVYSK-NSHDSACASA-N 0 0 261.287 3.385 20 10 CGCDRN CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC=CC1 ZINC000848921643 636692499 /nfs/dbraw/zinc/69/24/99/636692499.db2.gz DIARELBCHZPLFF-UHFFFAOYSA-N 0 0 255.720 3.383 20 10 CGCDRN CC(C)(C)OC(=O)CN(Cc1ccccc1O)C1CCC1 ZINC000848927872 636700240 /nfs/dbraw/zinc/70/02/40/636700240.db2.gz PPRVIXUCDFOAKI-UHFFFAOYSA-N 0 0 291.391 3.088 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(F)cc1[O-] ZINC000883365721 636707547 /nfs/dbraw/zinc/70/75/47/636707547.db2.gz GAQAXZSPIGKMKC-XZJROXQQSA-N 0 0 279.355 3.284 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC[C@@H](C)O ZINC000849704915 636849895 /nfs/dbraw/zinc/84/98/95/636849895.db2.gz HPLFSLMEECIDSO-GFCCVEGCSA-N 0 0 293.388 3.083 20 10 CGCDRN CC(C)[C@H](C)NC(=O)CSc1ncc(Cl)s1 ZINC000849998914 636924040 /nfs/dbraw/zinc/92/40/40/636924040.db2.gz UHLUOUVARLOETA-ZETCQYMHSA-N 0 0 278.830 3.049 20 10 CGCDRN Clc1cnc(SCc2cc3n(n2)CCC3)s1 ZINC000850001687 636926247 /nfs/dbraw/zinc/92/62/47/636926247.db2.gz KCSZIEOUNGQEEL-UHFFFAOYSA-N 0 0 271.798 3.232 20 10 CGCDRN CC(C)n1ccnc1CNCc1ccc2c(c1)CCCN2C ZINC000850099227 636959673 /nfs/dbraw/zinc/95/96/73/636959673.db2.gz IAKUZYXLQFZQLX-UHFFFAOYSA-N 0 0 298.434 3.136 20 10 CGCDRN Cc1c[nH]c(CNCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000850128383 636963281 /nfs/dbraw/zinc/96/32/81/636963281.db2.gz AOAVMVLFQOVXLZ-UHFFFAOYSA-N 0 0 298.434 3.244 20 10 CGCDRN CSc1ccccc1C(=O)NCc1ccccc1O ZINC000133794686 636978122 /nfs/dbraw/zinc/97/81/22/636978122.db2.gz KLMPLSDOADXIEP-UHFFFAOYSA-N 0 0 273.357 3.044 20 10 CGCDRN COc1cc(-c2nc3c(ccc(C)c3C)[nH]2)cc(O)c1O ZINC000134524257 637026618 /nfs/dbraw/zinc/02/66/18/637026618.db2.gz SNTLTCSQCQZFBA-UHFFFAOYSA-N 0 0 284.315 3.267 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000850481995 637086119 /nfs/dbraw/zinc/08/61/19/637086119.db2.gz PMYYIRLYUBUHLF-PWSUYJOCSA-N 0 0 298.377 3.194 20 10 CGCDRN CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499107 637092066 /nfs/dbraw/zinc/09/20/66/637092066.db2.gz JNTOUDJHDXKWGV-RCBQFDQVSA-N 0 0 299.422 3.091 20 10 CGCDRN CC(C)c1nccc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000110117330 637461934 /nfs/dbraw/zinc/46/19/34/637461934.db2.gz ZMBBCVFWUYGBLI-UHFFFAOYSA-N 0 0 284.407 3.302 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)nc(C)n2)cc1Cl ZINC000851808476 637511106 /nfs/dbraw/zinc/51/11/06/637511106.db2.gz NLPUTLIUAOJORI-UHFFFAOYSA-N 0 0 291.782 3.392 20 10 CGCDRN CC[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CCCC1 ZINC000886501554 637542884 /nfs/dbraw/zinc/54/28/84/637542884.db2.gz OCXRNTSDOKXMCS-QWHCGFSZSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886530506 637556255 /nfs/dbraw/zinc/55/62/55/637556255.db2.gz LTUZWKGGNCPBDA-GXSJLCMTSA-N 0 0 292.354 3.418 20 10 CGCDRN C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886536414 637562569 /nfs/dbraw/zinc/56/25/69/637562569.db2.gz HBJWSDVPLVJELG-VXGBXAGGSA-N 0 0 274.339 3.208 20 10 CGCDRN C[C@@H](Nc1cnn(CC(F)F)c1)c1c(O)cccc1F ZINC000886577095 637588901 /nfs/dbraw/zinc/58/89/01/637588901.db2.gz WUZSKEGFJXETNL-MRVPVSSYSA-N 0 0 285.269 3.166 20 10 CGCDRN C[C@@H]([NH2+]CCCOC(C)(C)C)c1c([O-])cccc1F ZINC000886638094 637622747 /nfs/dbraw/zinc/62/27/47/637622747.db2.gz LOJKHJOOFMTYHP-LLVKDONJSA-N 0 0 269.360 3.387 20 10 CGCDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000852261759 637624590 /nfs/dbraw/zinc/62/45/90/637624590.db2.gz VESQUCDTWCWLIJ-WBMJQRKESA-N 0 0 289.423 3.301 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000852482106 637660824 /nfs/dbraw/zinc/66/08/24/637660824.db2.gz UEIIQJXKGBNTPP-NSHDSACASA-N 0 0 294.395 3.025 20 10 CGCDRN CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000852592404 637684729 /nfs/dbraw/zinc/68/47/29/637684729.db2.gz OVDCYNGLVBLZJH-GFCCVEGCSA-N 0 0 282.771 3.033 20 10 CGCDRN C[C@H]([NH2+]CCOCCF)c1cccc(C(F)(F)F)c1[O-] ZINC000853238744 637790370 /nfs/dbraw/zinc/79/03/70/637790370.db2.gz PNQYBWVVIDXEGN-VIFPVBQESA-N 0 0 295.276 3.048 20 10 CGCDRN CC[C@H](C)N(CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000853244584 637792975 /nfs/dbraw/zinc/79/29/75/637792975.db2.gz OMUZKGCZBOXOLR-ZDUSSCGKSA-N 0 0 277.412 3.083 20 10 CGCDRN CCCc1nc(-c2cn(-c3ccc(N)cc3)nn2)c(C)s1 ZINC000887434483 637830155 /nfs/dbraw/zinc/83/01/55/637830155.db2.gz OCXIOGGWXUIEAX-UHFFFAOYSA-N 0 0 299.403 3.234 20 10 CGCDRN C[C@@H](NC(=O)C1(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000890030807 638151352 /nfs/dbraw/zinc/15/13/52/638151352.db2.gz LMGTVRDZFATXGS-GFCCVEGCSA-N 0 0 272.392 3.120 20 10 CGCDRN O=C(NCCC1CCC(F)(F)CC1)C1=CC(=O)CS1 ZINC000890058752 638157856 /nfs/dbraw/zinc/15/78/56/638157856.db2.gz QGESXPUSUNWPJX-UHFFFAOYSA-N 0 0 289.347 3.399 20 10 CGCDRN CCCC[C@@H](C(=O)NCc1ccccc1O)C(C)C ZINC000857093231 638457566 /nfs/dbraw/zinc/45/75/66/638457566.db2.gz MREOCMSZPORTNR-CQSZACIVSA-N 0 0 263.381 3.471 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/C(C)(C)C ZINC000115281325 638515325 /nfs/dbraw/zinc/51/53/25/638515325.db2.gz KZKWRRNUITYBDL-MDZDMXLPSA-N 0 0 274.408 3.280 20 10 CGCDRN Cc1ccc(F)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857547650 638516170 /nfs/dbraw/zinc/51/61/70/638516170.db2.gz NYWWJZCUIWHFRU-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2ccccc21 ZINC000857547518 638516510 /nfs/dbraw/zinc/51/65/10/638516510.db2.gz IEHLIBKZEFHOAB-AWEZNQCLSA-N 0 0 287.746 3.002 20 10 CGCDRN CCc1nc(CNCc2ccc(N(C)C)cc2C)cs1 ZINC000115629066 638570036 /nfs/dbraw/zinc/57/00/36/638570036.db2.gz WLMUYSUMVZJUJR-UHFFFAOYSA-N 0 0 289.448 3.370 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H]1C ZINC000115678335 638576464 /nfs/dbraw/zinc/57/64/64/638576464.db2.gz DMBDYADSAAMWAU-BLLLJJGKSA-N 0 0 289.423 3.049 20 10 CGCDRN CC(C)n1cc(NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858124793 638637756 /nfs/dbraw/zinc/63/77/56/638637756.db2.gz PURUQVSMSALORK-UHFFFAOYSA-N 0 0 294.349 3.420 20 10 CGCDRN Nc1ccc(NC(=O)NCC2CCC=CCC2)cc1 ZINC000926145852 638720611 /nfs/dbraw/zinc/72/06/11/638720611.db2.gz WHJASMRBKTZIPZ-UHFFFAOYSA-N 0 0 259.353 3.137 20 10 CGCDRN CC(C)(C)OC[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000926143911 638721398 /nfs/dbraw/zinc/72/13/98/638721398.db2.gz QTEKZOBJCXRJBE-CQSZACIVSA-N 0 0 291.395 3.080 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cnn(CCF)c2)c(O)c1C ZINC000858491388 638740600 /nfs/dbraw/zinc/74/06/00/638740600.db2.gz GPWLERMQHYCJAE-GFCCVEGCSA-N 0 0 277.343 3.348 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000858546793 638758551 /nfs/dbraw/zinc/75/85/51/638758551.db2.gz FMRDKCJYWKIISH-IVMMDQJWSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cc(F)cc(F)c1[O-] ZINC000926914846 638824668 /nfs/dbraw/zinc/82/46/68/638824668.db2.gz DAFZOWBVRWPJIR-DRZCJDIDSA-N 0 0 297.345 3.280 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000927070792 638837989 /nfs/dbraw/zinc/83/79/89/638837989.db2.gz VEAQKVSKODNADF-PLQHRBFRSA-N 0 0 293.382 3.387 20 10 CGCDRN C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927118071 638844528 /nfs/dbraw/zinc/84/45/28/638844528.db2.gz DDICPPDSDNXDEU-HFAKWTLXSA-N 0 0 276.336 3.141 20 10 CGCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCCc2ccccc21 ZINC000928712054 638889548 /nfs/dbraw/zinc/88/95/48/638889548.db2.gz NSEPTXUOSHHECV-CQSZACIVSA-N 0 0 299.345 3.268 20 10 CGCDRN CCOc1ccc(N(CC)CCCCC(=O)OC)cc1 ZINC000859176690 639099938 /nfs/dbraw/zinc/09/99/38/639099938.db2.gz XCZGXAZXZZLZPY-UHFFFAOYSA-N 0 0 279.380 3.255 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)OCCF)cc12 ZINC000859195868 639105906 /nfs/dbraw/zinc/10/59/06/639105906.db2.gz YMWXWBDMWWEWPJ-UHFFFAOYSA-N 0 0 265.284 3.280 20 10 CGCDRN CC(C)C(C)(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862026405 639634879 /nfs/dbraw/zinc/63/48/79/639634879.db2.gz NICJFTXATQGIEL-UHFFFAOYSA-N 0 0 286.375 3.239 20 10 CGCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000862130124 639649295 /nfs/dbraw/zinc/64/92/95/639649295.db2.gz CZKRKLCNFICEPL-ZETCQYMHSA-N 0 0 295.688 3.250 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1c(C)nc2ccccn21 ZINC000158970127 640025840 /nfs/dbraw/zinc/02/58/40/640025840.db2.gz LQRBEOPGHVURDW-UHFFFAOYSA-N 0 0 293.370 3.214 20 10 CGCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ncccn1 ZINC000191895474 640337758 /nfs/dbraw/zinc/33/77/58/640337758.db2.gz KSXOSYLAHWDSDK-UHFFFAOYSA-N 0 0 296.418 3.099 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cccnc2)c(C)c1 ZINC000079161369 640375119 /nfs/dbraw/zinc/37/51/19/640375119.db2.gz GIIYECHLQALQKX-VQHVLOKHSA-N 0 0 266.344 3.375 20 10 CGCDRN CSCC[C@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079437948 640402627 /nfs/dbraw/zinc/40/26/27/640402627.db2.gz WECHWXKSBBJKNT-JTQLQIEISA-N 0 0 299.411 3.307 20 10 CGCDRN COc1ccc(N(Cc2ccccc2)C[C@H](C)O)cc1 ZINC000192991395 640423823 /nfs/dbraw/zinc/42/38/23/640423823.db2.gz GEWFLFPRRSPWRC-AWEZNQCLSA-N 0 0 271.360 3.083 20 10 CGCDRN CC[C@H](C)[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000194457645 640533753 /nfs/dbraw/zinc/53/37/53/640533753.db2.gz PCWJCZVBESAJME-KBPBESRZSA-N 0 0 291.439 3.329 20 10 CGCDRN CCC[C@H](CC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000195285448 640576733 /nfs/dbraw/zinc/57/67/33/640576733.db2.gz PVYWVDPFKPFGHG-HNNXBMFYSA-N 0 0 291.439 3.473 20 10 CGCDRN C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093149626 640758292 /nfs/dbraw/zinc/75/82/92/640758292.db2.gz VFVKDMOGYZRVSM-GFCCVEGCSA-N 0 0 297.354 3.240 20 10 CGCDRN CS(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254430059 640911224 /nfs/dbraw/zinc/91/12/24/640911224.db2.gz NOFXEIKOXYURSY-UHFFFAOYSA-N 0 0 275.333 3.474 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccco1 ZINC000282596405 641039994 /nfs/dbraw/zinc/03/99/94/641039994.db2.gz XNBBPWXAFBWQNG-UHFFFAOYSA-N 0 0 287.359 3.357 20 10 CGCDRN Cn1c2ccc(Cl)cc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251244539 805870404 /nfs/dbraw/zinc/87/04/04/805870404.db2.gz LAFQRFZMZBIDSN-UHFFFAOYSA-N 0 0 290.706 3.011 20 10 CGCDRN CC[C@@H](O)CNc1ccc(C)cc1C(=O)c1ccccc1 ZINC001251793542 805934898 /nfs/dbraw/zinc/93/48/98/805934898.db2.gz NMCQDAVYOGYAMI-OAHLLOKOSA-N 0 0 283.371 3.409 20 10 CGCDRN COC(=O)c1cc(C)cc(Nc2ccc(N)cc2)c1 ZINC001159484906 806112680 /nfs/dbraw/zinc/11/26/80/806112680.db2.gz GBSVEZHSCLYSRK-UHFFFAOYSA-N 0 0 256.305 3.107 20 10 CGCDRN COc1nccc(Nc2ccc3c(c2)CCN3)c1Cl ZINC001159523309 806117195 /nfs/dbraw/zinc/11/71/95/806117195.db2.gz UTMRKDROIULHRV-UHFFFAOYSA-N 0 0 275.739 3.455 20 10 CGCDRN Cc1cnc(NCc2c(C)cc(C)cc2O)c(F)c1 ZINC001160808257 806305581 /nfs/dbraw/zinc/30/55/81/806305581.db2.gz PDHBCPXQNKYARL-UHFFFAOYSA-N 0 0 260.312 3.464 20 10 CGCDRN Cc1cc(C)c(CNc2ccc([N+](=O)[O-])c(C)n2)c(O)c1 ZINC001160808620 806306237 /nfs/dbraw/zinc/30/62/37/806306237.db2.gz VHRJBQLQSWOKTL-UHFFFAOYSA-N 0 0 287.319 3.233 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)[C@H]1C ZINC001161251446 806361581 /nfs/dbraw/zinc/36/15/81/806361581.db2.gz XPWPFANFGCPQHL-OUAUKWLOSA-N 0 0 295.354 3.039 20 10 CGCDRN CNc1ccccc1NCC(=O)c1ccc(OC)cc1 ZINC001161805513 806456989 /nfs/dbraw/zinc/45/69/89/806456989.db2.gz ASVLONCXCLROSI-UHFFFAOYSA-N 0 0 270.332 3.032 20 10 CGCDRN CCc1[nH]nc(NCc2cc(Cl)cc(OC)c2O)c1C ZINC001254815320 806490560 /nfs/dbraw/zinc/49/05/60/806490560.db2.gz QAZFITVERZYYHL-UHFFFAOYSA-N 0 0 295.770 3.260 20 10 CGCDRN Nc1ccc(CNc2cnc3c(Cl)cccc3n2)cc1 ZINC001162783987 806664308 /nfs/dbraw/zinc/66/43/08/806664308.db2.gz DOVLLUISAMQEJF-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN Cc1c[nH]c2nc(NCc3ccc(N)cc3)ccc12 ZINC001162784903 806665139 /nfs/dbraw/zinc/66/51/39/806665139.db2.gz YZSZYANPMAIONN-UHFFFAOYSA-N 0 0 252.321 3.066 20 10 CGCDRN CSCc1ccc(NCc2ccc(N)cc2)nc1 ZINC001162787777 806665573 /nfs/dbraw/zinc/66/55/73/806665573.db2.gz QHRDEMCRIXKBRT-UHFFFAOYSA-N 0 0 259.378 3.139 20 10 CGCDRN COC(=O)c1cccc(NCc2ccccc2O)c1C ZINC000037047387 798856101 /nfs/dbraw/zinc/85/61/01/798856101.db2.gz WTSCXMUUUZYLNX-UHFFFAOYSA-N 0 0 271.316 3.099 20 10 CGCDRN CCC[N@H+](CC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000037323062 798866535 /nfs/dbraw/zinc/86/65/35/798866535.db2.gz BZRMWRCQAPSJPL-UHFFFAOYSA-N 0 0 269.772 3.480 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(C)C)c1[O-] ZINC000037323166 798866585 /nfs/dbraw/zinc/86/65/85/798866585.db2.gz LFWQSTVINPRDBX-UHFFFAOYSA-N 0 0 269.772 3.336 20 10 CGCDRN Cc1ccc(O)c(CNc2cccnc2OC(C)C)c1 ZINC000071408316 798917041 /nfs/dbraw/zinc/91/70/41/798917041.db2.gz WWRBVZBBOAVSIG-UHFFFAOYSA-N 0 0 272.348 3.495 20 10 CGCDRN Nc1ccc(Cc2nc([C@@H]3CCCCS3)no2)cc1 ZINC000160650740 799077029 /nfs/dbraw/zinc/07/70/29/799077029.db2.gz VAHMFVTYCZCAGS-LBPRGKRZSA-N 0 0 275.377 3.201 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000168235703 799085851 /nfs/dbraw/zinc/08/58/51/799085851.db2.gz DWCMNUXHYMSKOD-CQSZACIVSA-N 0 0 286.400 3.067 20 10 CGCDRN COc1ccc(N(CCCCCO)C(C)C)cc1F ZINC000304297295 799210632 /nfs/dbraw/zinc/21/06/32/799210632.db2.gz GDDVDGGWJUYLAX-UHFFFAOYSA-N 0 0 269.360 3.212 20 10 CGCDRN CS[C@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000309888917 799220236 /nfs/dbraw/zinc/22/02/36/799220236.db2.gz ZLLAIPOPMLOZBG-SSDOTTSWSA-N 0 0 263.765 3.026 20 10 CGCDRN Cc1ccc(C(=O)N(C)C)cc1NCc1cccc(C)c1O ZINC000378954581 799346336 /nfs/dbraw/zinc/34/63/36/799346336.db2.gz KRYFSFKFTDJDQQ-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN Cc1ncc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)o1 ZINC000397893343 799523201 /nfs/dbraw/zinc/52/32/01/799523201.db2.gz NZIMTBZGLQJGEZ-UHFFFAOYSA-N 0 0 285.391 3.263 20 10 CGCDRN Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])sn1 ZINC000404256758 799575920 /nfs/dbraw/zinc/57/59/20/799575920.db2.gz BBGLXMMCTQIPRZ-UHFFFAOYSA-N 0 0 268.769 3.100 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000688149125 799744652 /nfs/dbraw/zinc/74/46/52/799744652.db2.gz RDQKLWYVHGERGV-AWEZNQCLSA-N 0 0 259.353 3.065 20 10 CGCDRN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000690338451 799776016 /nfs/dbraw/zinc/77/60/16/799776016.db2.gz AATDFWIALGFYHH-GFCCVEGCSA-N 0 0 282.815 3.008 20 10 CGCDRN C[C@H](NCc1c(O)cccc1Cl)c1cscn1 ZINC000700419466 799872073 /nfs/dbraw/zinc/87/20/73/799872073.db2.gz NKFKOVFYKMBWAL-QMMMGPOBSA-N 0 0 268.769 3.353 20 10 CGCDRN Cc1ccncc1NCc1c(O)cccc1Br ZINC000706804836 799966277 /nfs/dbraw/zinc/96/62/77/799966277.db2.gz RJMKTPUNMAYGSP-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN CC1(C)C(C(=O)CSc2nccs2)C1(C)C ZINC000707086355 799971974 /nfs/dbraw/zinc/97/19/74/799971974.db2.gz ZAQWDMWPCKMBLD-UHFFFAOYSA-N 0 0 255.408 3.487 20 10 CGCDRN CCSCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708465178 799988879 /nfs/dbraw/zinc/98/88/79/799988879.db2.gz DONIPXVNHZEWRX-SECBINFHSA-N 0 0 275.364 3.292 20 10 CGCDRN C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000708619992 799992262 /nfs/dbraw/zinc/99/22/62/799992262.db2.gz SJINOYXFQYXGBE-LBPRGKRZSA-N 0 0 295.251 3.445 20 10 CGCDRN C[C@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000709168044 800005043 /nfs/dbraw/zinc/00/50/43/800005043.db2.gz SCNHWZIMHHEOHG-GFCCVEGCSA-N 0 0 263.381 3.423 20 10 CGCDRN CC[C@H](CC(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000711142934 800048450 /nfs/dbraw/zinc/04/84/50/800048450.db2.gz PTVOKMRMFWTOBT-CQSZACIVSA-N 0 0 276.424 3.390 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711501448 800064058 /nfs/dbraw/zinc/06/40/58/800064058.db2.gz FRLGYDPTTCHJFR-MRVPVSSYSA-N 0 0 278.154 3.490 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711846674 800076220 /nfs/dbraw/zinc/07/62/20/800076220.db2.gz PYWQGZBFTFANCR-HIFRSBDPSA-N 0 0 295.810 3.340 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CCCS1 ZINC000715671188 800143927 /nfs/dbraw/zinc/14/39/27/800143927.db2.gz XVMTVZPZFNSJLA-NSHDSACASA-N 0 0 271.813 3.421 20 10 CGCDRN C[C@H]1C[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715716218 800144532 /nfs/dbraw/zinc/14/45/32/800144532.db2.gz DIKXWKCRCPMMGK-YUMQZZPRSA-N 0 0 288.160 3.039 20 10 CGCDRN CC[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715712856 800145290 /nfs/dbraw/zinc/14/52/90/800145290.db2.gz MBJVRCXKLSNURA-SSDOTTSWSA-N 0 0 276.149 3.182 20 10 CGCDRN COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000718795223 800223455 /nfs/dbraw/zinc/22/34/55/800223455.db2.gz PLARGYIOKBKWEK-NSHDSACASA-N 0 0 269.360 3.245 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(F)cc1[O-] ZINC000722337585 800315795 /nfs/dbraw/zinc/31/57/95/800315795.db2.gz NINYMTXAOXKBKC-WNMQOVRZSA-N 0 0 279.355 3.140 20 10 CGCDRN Nc1ccc(Cc2noc([C@@H]3CCC[C@@H](F)C3)n2)cc1 ZINC001118243698 802540803 /nfs/dbraw/zinc/54/08/03/802540803.db2.gz YRHRJJKJYMDZFP-VXGBXAGGSA-N 0 0 275.327 3.238 20 10 CGCDRN CSCC1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC001118704263 802593624 /nfs/dbraw/zinc/59/36/24/802593624.db2.gz AAZBNQSVQLYVQL-UHFFFAOYSA-N 0 0 285.434 3.105 20 10 CGCDRN C=CNc1ccc(OCCOc2ccc(N)cc2)cc1 ZINC001174786090 809163183 /nfs/dbraw/zinc/16/31/83/809163183.db2.gz ZRKLIMYGCGDKPY-UHFFFAOYSA-N 0 0 270.332 3.282 20 10 CGCDRN C[C@@H](NC(=O)NC1CCC=CCC1)c1ccccc1O ZINC001119395298 802659322 /nfs/dbraw/zinc/65/93/22/802659322.db2.gz NYSYHCUTKRTFOD-GFCCVEGCSA-N 0 0 274.364 3.251 20 10 CGCDRN CC(F)(F)C1(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC001119921983 802707797 /nfs/dbraw/zinc/70/77/97/802707797.db2.gz GOQDXKRHOYZPMW-UHFFFAOYSA-N 0 0 289.709 3.097 20 10 CGCDRN CCCCCCNC(=S)N1CCc2cccc(O)c2C1 ZINC001200950505 811772028 /nfs/dbraw/zinc/77/20/28/811772028.db2.gz FPHGGQAODLJOGR-UHFFFAOYSA-N 0 0 292.448 3.205 20 10 CGCDRN CC1(CC(=O)NCc2ccc(N)cc2)CCCCC1 ZINC001122444829 802870904 /nfs/dbraw/zinc/87/09/04/802870904.db2.gz IEKGYNXTDUNPIH-UHFFFAOYSA-N 0 0 260.381 3.246 20 10 CGCDRN CCn1ccc(-c2cc(C3CC3)cnc2C)cc1=O ZINC001244144535 803206759 /nfs/dbraw/zinc/20/67/59/803206759.db2.gz NEGLOXKJLNGRQV-UHFFFAOYSA-N 0 0 254.333 3.116 20 10 CGCDRN CC[C@H](F)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132267817 803388628 /nfs/dbraw/zinc/38/86/28/803388628.db2.gz OIJWFWMPYFJGGZ-INIZCTEOSA-N 0 0 288.366 3.458 20 10 CGCDRN Cc1cc(-c2ncnc3c2ccn3C)cnc1OC(C)C ZINC001244683625 803493295 /nfs/dbraw/zinc/49/32/95/803493295.db2.gz KXHXODCYOKQWRS-UHFFFAOYSA-N 0 0 282.347 3.126 20 10 CGCDRN Cc1cc(CN2CC3(C2)CCCO3)c(C)n1-c1ccccc1 ZINC001137856316 803786129 /nfs/dbraw/zinc/78/61/29/803786129.db2.gz YVNDKLCSACSMLP-UHFFFAOYSA-N 0 0 296.414 3.459 20 10 CGCDRN Oc1c(F)cccc1CN1CCCCC(F)(F)C1 ZINC001138122620 803860551 /nfs/dbraw/zinc/86/05/51/803860551.db2.gz QEPMUPIKJICHDJ-UHFFFAOYSA-N 0 0 259.271 3.153 20 10 CGCDRN COc1ccc(-c2ccn(CC(C)C)c(=O)c2)c(Cl)n1 ZINC001245877813 804007657 /nfs/dbraw/zinc/00/76/57/804007657.db2.gz JBRUFDFUDAUAQY-UHFFFAOYSA-N 0 0 292.766 3.228 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccnc1F ZINC001138789267 804040045 /nfs/dbraw/zinc/04/00/45/804040045.db2.gz UEMDSHJXBIMOOS-UHFFFAOYSA-N 0 0 299.393 3.453 20 10 CGCDRN C[N@H+](Cc1ccc2nsnc2c1)Cc1ccccc1O ZINC001139216382 804165056 /nfs/dbraw/zinc/16/50/56/804165056.db2.gz XJIRUYRZMDVUQR-UHFFFAOYSA-N 0 0 285.372 3.029 20 10 CGCDRN CC[N@H+](Cc1ccc2nsnc2c1)Cc1ccccc1O ZINC001139214261 804165620 /nfs/dbraw/zinc/16/56/20/804165620.db2.gz JGYZIUNAHXWOOL-UHFFFAOYSA-N 0 0 299.399 3.419 20 10 CGCDRN CCCCOC1CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139670572 804248578 /nfs/dbraw/zinc/24/85/78/804248578.db2.gz CSKPQWTZJRBTES-UHFFFAOYSA-N 0 0 276.424 3.062 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001139682665 804251346 /nfs/dbraw/zinc/25/13/46/804251346.db2.gz AIXFEKMFKGQVGT-QMMMGPOBSA-N 0 0 295.251 3.445 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001139683355 804251679 /nfs/dbraw/zinc/25/16/79/804251679.db2.gz HOINJJZLZIVKDV-GFCCVEGCSA-N 0 0 290.313 3.055 20 10 CGCDRN O=C1CCN(Cc2c(F)ccc(F)c2[O-])[C@H]2CCCC[C@@H]12 ZINC001139685878 804252653 /nfs/dbraw/zinc/25/26/53/804252653.db2.gz ZSNANDXDZXSPFU-YGRLFVJLSA-N 0 0 295.329 3.004 20 10 CGCDRN CCC[N@H+](Cc1c(F)ccc(F)c1[O-])C1CCOCC1 ZINC001139686774 804254333 /nfs/dbraw/zinc/25/43/33/804254333.db2.gz FLUDZBGWUHTRDW-UHFFFAOYSA-N 0 0 285.334 3.061 20 10 CGCDRN Cc1nc2c(s1)CN(Cc1c(C)ccc(C)c1O)C2 ZINC001140184666 804399657 /nfs/dbraw/zinc/39/96/57/804399657.db2.gz DIOIWXYKHWKYKM-UHFFFAOYSA-N 0 0 274.389 3.290 20 10 CGCDRN C[C@]1(F)CCN(Cc2c(O)cccc2Cl)C[C@@H]1F ZINC001140338065 804417791 /nfs/dbraw/zinc/41/77/91/804417791.db2.gz TUSLGUXWBZIMOC-STQMWFEESA-N 0 0 275.726 3.318 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001140584143 804468155 /nfs/dbraw/zinc/46/81/55/804468155.db2.gz GBIFLCJICKLWIL-OAHLLOKOSA-N 0 0 290.313 3.403 20 10 CGCDRN Cc1snnc1-c1nc(-c2ccc(C)c(C)c2)no1 ZINC001212405248 815020795 /nfs/dbraw/zinc/02/07/95/815020795.db2.gz JYXWLFILPJFGCF-UHFFFAOYSA-N 0 0 272.333 3.180 20 10 CGCDRN CCCC[N@H+](CC)Cc1c(O)cc(OC)cc1OC ZINC001141031473 804574490 /nfs/dbraw/zinc/57/44/90/804574490.db2.gz GMIDYBGDAWWJIP-UHFFFAOYSA-N 0 0 267.369 3.031 20 10 CGCDRN CN(Cc1ccno1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078121 804585236 /nfs/dbraw/zinc/58/52/36/804585236.db2.gz LTZXHNSDVGGWFZ-UHFFFAOYSA-N 0 0 297.402 3.005 20 10 CGCDRN CCC/C=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001142418857 804722031 /nfs/dbraw/zinc/72/20/31/804722031.db2.gz MBTUZDCXPFIIEP-XVJNWHFHSA-N 0 0 288.435 3.465 20 10 CGCDRN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142501844 804725968 /nfs/dbraw/zinc/72/59/68/804725968.db2.gz BXMAFXHREBVZAQ-AOOOYVTPSA-N 0 0 255.308 3.433 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001142509153 804729000 /nfs/dbraw/zinc/72/90/00/804729000.db2.gz YWKKFBWHHDPZFQ-GHMZBOCLSA-N 0 0 267.319 3.292 20 10 CGCDRN CC(C)[N@H+](Cc1cc(F)c(F)cc1[O-])C1CCOCC1 ZINC001142534233 804734021 /nfs/dbraw/zinc/73/40/21/804734021.db2.gz ARHVNRMJKIDCLM-UHFFFAOYSA-N 0 0 285.334 3.060 20 10 CGCDRN O=C(Cc1ccc(C2CC2)cc1)NCc1ccccc1O ZINC001144723743 805040276 /nfs/dbraw/zinc/04/02/76/805040276.db2.gz FKOXZZCFCWRMRG-UHFFFAOYSA-N 0 0 281.355 3.129 20 10 CGCDRN CCC[C@H](CC)C(=O)NCc1cc(Cl)ccc1O ZINC001146233018 805064447 /nfs/dbraw/zinc/06/44/47/805064447.db2.gz PAXKTGMPCRTSOM-JTQLQIEISA-N 0 0 269.772 3.488 20 10 CGCDRN Cc1nc2c(cccc2C(=O)NCc2cc(C)ccc2O)o1 ZINC001147956154 805156764 /nfs/dbraw/zinc/15/67/64/805156764.db2.gz AKMGIPCBYDVROI-UHFFFAOYSA-N 0 0 296.326 3.080 20 10 CGCDRN CC[C@@H](C)C1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC001148224737 805169837 /nfs/dbraw/zinc/16/98/37/805169837.db2.gz UCVYPELKORDDCH-PNESKVBLSA-N 0 0 291.391 3.433 20 10 CGCDRN C=C/C=C\CC(=O)N(CCC)Cc1ccccc1O ZINC001149880540 805248006 /nfs/dbraw/zinc/24/80/06/805248006.db2.gz KGOVWKWFUKCBJU-WAYWQWQTSA-N 0 0 259.349 3.263 20 10 CGCDRN COc1cccc(CNC(=O)C2(C)C(C)(C)C2(C)C)c1O ZINC001150543396 805259974 /nfs/dbraw/zinc/25/99/74/805259974.db2.gz NPDLFTAFXWASMO-UHFFFAOYSA-N 0 0 291.391 3.089 20 10 CGCDRN Cc1cc(F)cc(C)c1C(=O)NCc1ccccc1O ZINC001150535567 805260028 /nfs/dbraw/zinc/26/00/28/805260028.db2.gz DRGVSMBLQIWDAL-UHFFFAOYSA-N 0 0 273.307 3.078 20 10 CGCDRN Cn1cc(NC(=O)C2=CC(=O)CS2)c(-c2ccccc2)n1 ZINC001152853174 805372223 /nfs/dbraw/zinc/37/22/23/805372223.db2.gz WYPCYJMVXVQFBV-UHFFFAOYSA-N 0 0 299.355 3.107 20 10 CGCDRN COC(=O)c1c(Cl)cccc1Nc1cccc(O)c1O ZINC001250148147 805443454 /nfs/dbraw/zinc/44/34/54/805443454.db2.gz JEGUVMYJKMUDSH-UHFFFAOYSA-N 0 0 293.706 3.281 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncncc1C(C)C ZINC001154888470 805504616 /nfs/dbraw/zinc/50/46/16/805504616.db2.gz DTYDXTDRESOXFT-UHFFFAOYSA-N 0 0 271.364 3.332 20 10 CGCDRN CNc1ccccc1NCC1(c2ccccc2)COC1 ZINC001167297974 807178846 /nfs/dbraw/zinc/17/88/46/807178846.db2.gz ZRYHKKBLNJPUBR-UHFFFAOYSA-N 0 0 268.360 3.108 20 10 CGCDRN CNc1ccccc1N[C@H](CCSC)C(C)(C)O ZINC001168218020 807352816 /nfs/dbraw/zinc/35/28/16/807352816.db2.gz XREXQRDAPUUUAY-CYBMUJFWSA-N 0 0 268.426 3.033 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cccnc1OC ZINC001168244699 807364937 /nfs/dbraw/zinc/36/49/37/807364937.db2.gz RLLWKWHWXZBRPT-UHFFFAOYSA-N 0 0 298.386 3.442 20 10 CGCDRN Oc1ccc(NCc2cccc3c2OC(F)(F)O3)cc1 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280.387 3.055 20 10 CGCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC001331342457 935371910 /nfs/dbraw/zinc/37/19/10/935371910.db2.gz CFXWUWZIVFSBRL-GFCCVEGCSA-N 0 0 288.391 3.386 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2CCC[C@H](F)C2)ccc(F)c1F ZINC001333368789 935530644 /nfs/dbraw/zinc/53/06/44/935530644.db2.gz LZYXYLZSIWWVIT-UWVGGRQHSA-N 0 0 259.271 3.041 20 10 CGCDRN COC[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC001335564971 936152916 /nfs/dbraw/zinc/15/29/16/936152916.db2.gz CFNGKKDJZSTCHR-LBPRGKRZSA-N 0 0 271.788 3.054 20 10 CGCDRN CCCN(Cc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC001335738183 936157702 /nfs/dbraw/zinc/15/77/02/936157702.db2.gz XBALCULNAOZYOQ-UHFFFAOYSA-N 0 0 297.402 3.391 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCCC[C@H]2C2CCC2)cc1 ZINC001336290895 936186654 /nfs/dbraw/zinc/18/66/54/936186654.db2.gz WGDIQAMPZDJVEV-INIZCTEOSA-N 0 0 287.407 3.133 20 10 CGCDRN CC(C)CC[C@H]1CCCN1C(=O)NCc1ccc(N)cc1 ZINC001336289878 936186724 /nfs/dbraw/zinc/18/67/24/936186724.db2.gz BRJCZXYEQICCPR-MRXNPFEDSA-N 0 0 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/nfs/dbraw/zinc/59/76/84/949597684.db2.gz SITOFIIBYZLKIP-UHFFFAOYSA-N 0 0 291.734 3.034 20 10 CGCDRN CCCC1(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC001564325513 960635402 /nfs/dbraw/zinc/63/54/02/960635402.db2.gz YOOLNOMYENHIAV-UHFFFAOYSA-N 0 0 296.798 3.425 20 10 CGCDRN C=C=CCNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001565194155 960745984 /nfs/dbraw/zinc/74/59/84/960745984.db2.gz WZJXFYWTTFJUDD-UHFFFAOYSA-N 0 0 295.386 3.234 20 10 CGCDRN C[C@@H]1COc2ccccc2[C@H]1OC(=O)Cc1ccc(N)cc1 ZINC001576862904 962495625 /nfs/dbraw/zinc/49/56/25/962495625.db2.gz XLYCLGKPLNPOQW-XIKOKIGWSA-N 0 0 297.354 3.124 20 10 CGCDRN C[C@H](Cc1ccccc1)C(=O)Oc1ccc(N)cc1 ZINC001579476853 962632400 /nfs/dbraw/zinc/63/24/00/962632400.db2.gz KHSOLLJCMYYTQY-GFCCVEGCSA-N 0 0 255.317 3.053 20 10 CGCDRN Cc1cccc(CO[C@@H](C)C(=O)Nc2ccc(N)cc2)c1 ZINC001579764612 962670458 /nfs/dbraw/zinc/67/04/58/962670458.db2.gz DMFNEYRLXGWFKL-ZDUSSCGKSA-N 0 0 284.359 3.121 20 10 CGCDRN Nc1ccc(CNC(=O)/C=C\Sc2ccccc2)cc1 ZINC001580443603 962728305 /nfs/dbraw/zinc/72/83/05/962728305.db2.gz SGRUIMUCUCUXQT-KHPPLWFESA-N 0 0 284.384 3.191 20 10 CGCDRN COc1ccc(N(C)C(=O)/C(C)=C\c2cccnc2)cc1 ZINC001585502002 963017106 /nfs/dbraw/zinc/01/71/06/963017106.db2.gz VOKQGLNKYNLIPL-QBFSEMIESA-N 0 0 282.343 3.157 20 10 CGCDRN Cc1cccc(C(C)(C)NC(=O)c2ccc(C)c(O)c2O)c1 ZINC001586446838 963104662 /nfs/dbraw/zinc/10/46/62/963104662.db2.gz CJLAURJTAPFPLN-UHFFFAOYSA-N 0 0 299.370 3.380 20 10 CGCDRN CSCCCCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599799294 988148883 /nfs/dbraw/zinc/14/88/83/988148883.db2.gz CFVFZEBENYMIPW-NSHDSACASA-N 0 0 297.420 3.274 20 10 CGCDRN C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593203446 994186714 /nfs/dbraw/zinc/18/67/14/994186714.db2.gz DSQMIAXGLQFCDH-MGPLVRAMSA-N 0 0 289.375 3.320 20 10 CGCDRN C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593203447 994186935 /nfs/dbraw/zinc/18/69/35/994186935.db2.gz DSQMIAXGLQFCDH-QFYYESIMSA-N 0 0 289.375 3.320 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001594423879 999584103 /nfs/dbraw/zinc/58/41/03/999584103.db2.gz JZLCDKJELWOVJH-SWLSCSKDSA-N 0 0 291.391 3.201 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)o1 ZINC000052851325 345108714 /nfs/dbraw/zinc/10/87/14/345108714.db2.gz MWEMWVPNQVZFAQ-UHFFFAOYSA-N 0 0 286.375 3.316 20 10 CGCDRN CCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647059 345185212 /nfs/dbraw/zinc/18/52/12/345185212.db2.gz CUXVKGQEENLKQN-LBPRGKRZSA-N 0 0 295.402 3.222 20 10 CGCDRN CCCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678671 345221949 /nfs/dbraw/zinc/22/19/49/345221949.db2.gz KZGVNCDCFHQFAX-UHFFFAOYSA-N 0 0 262.397 3.291 20 10 CGCDRN C[C@@H](Nc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000068463380 345354286 /nfs/dbraw/zinc/35/42/86/345354286.db2.gz FJAOUTVSQHCJHC-CQSZACIVSA-N 0 0 283.375 3.091 20 10 CGCDRN CCc1nsc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000092658000 345850345 /nfs/dbraw/zinc/85/03/45/345850345.db2.gz INISXQQHADNCGG-UHFFFAOYSA-N 0 0 289.404 3.297 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccn1C ZINC000282495041 282791382 /nfs/dbraw/zinc/79/13/82/282791382.db2.gz MVBBPXIPEBFOPR-UHFFFAOYSA-N 0 0 286.375 3.173 20 10 CGCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000124567534 370926193 /nfs/dbraw/zinc/92/61/93/370926193.db2.gz VSCYVLZCYKKXDL-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN CCN(C(=O)/C=C\c1cncs1)c1ccccc1 ZINC000493375416 244151573 /nfs/dbraw/zinc/15/15/73/244151573.db2.gz YKBQKMNJJUPRIU-HJWRWDBZSA-N 0 0 258.346 3.209 20 10 CGCDRN CC(C)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411637 369220140 /nfs/dbraw/zinc/22/01/40/369220140.db2.gz MTMLUELHZKGJJC-UHFFFAOYSA-N 0 0 272.186 3.290 20 10 CGCDRN Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2ccccc2O)c1 ZINC000053914642 369489273 /nfs/dbraw/zinc/48/92/73/369489273.db2.gz IOLNZSRHOJDDRV-AWEZNQCLSA-N 0 0 299.370 3.127 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000061818099 369606824 /nfs/dbraw/zinc/60/68/24/369606824.db2.gz ATZRNEGWHTXVMN-UHFFFAOYSA-N 0 0 286.419 3.384 20 10 CGCDRN CC[C@@H]([NH2+]C1CCSCC1)c1ccccc1O ZINC000136362713 371474688 /nfs/dbraw/zinc/47/46/88/371474688.db2.gz LHAJRKXGGINOEK-CYBMUJFWSA-N 0 0 251.395 3.329 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(F)cc1[O-] ZINC000287539973 371671702 /nfs/dbraw/zinc/67/17/02/371671702.db2.gz PGARZQIIXWSGDD-HIFRSBDPSA-N 0 0 281.371 3.123 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000287557646 371673331 /nfs/dbraw/zinc/67/33/31/371673331.db2.gz PZRSJQJZPDOXDM-XUJVJEKNSA-N 0 0 281.371 3.245 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC2(C)C)cc1 ZINC000287395577 371649478 /nfs/dbraw/zinc/64/94/78/371649478.db2.gz PILGOHBVNATYNO-HNNXBMFYSA-N 0 0 289.423 3.083 20 10 CGCDRN C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000287432887 371656139 /nfs/dbraw/zinc/65/61/39/371656139.db2.gz SZDZLTZOFNMGMC-PRHODGIISA-N 0 0 259.271 3.384 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000287445687 371658705 /nfs/dbraw/zinc/65/87/05/371658705.db2.gz LEBCLFATAKPNFP-HIFRSBDPSA-N 0 0 283.387 3.368 20 10 CGCDRN Cc1noc([C@H]2CCCN2Cc2c(O)cccc2Cl)n1 ZINC000289141809 371750406 /nfs/dbraw/zinc/75/04/06/371750406.db2.gz AIKZPRKLHXPHEB-GFCCVEGCSA-N 0 0 293.754 3.074 20 10 CGCDRN CC(C)(CO)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293497315 372395705 /nfs/dbraw/zinc/39/57/05/372395705.db2.gz BDHTXRHRTYAKBV-UHFFFAOYSA-N 0 0 289.778 3.073 20 10 CGCDRN CC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000293616390 372425700 /nfs/dbraw/zinc/42/57/00/372425700.db2.gz JKRHUZUDONBZSI-YUMQZZPRSA-N 0 0 278.179 3.121 20 10 CGCDRN CCCc1nc(C)c(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000293660905 372441074 /nfs/dbraw/zinc/44/10/74/372441074.db2.gz LXCKTXUKJYTTOI-LLVKDONJSA-N 0 0 274.364 3.492 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000293662379 372442435 /nfs/dbraw/zinc/44/24/35/372442435.db2.gz PPZLPWJALKIICM-LBPRGKRZSA-N 0 0 295.745 3.075 20 10 CGCDRN CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294825770 372674550 /nfs/dbraw/zinc/67/45/50/372674550.db2.gz KZGCXFRDXDUTGU-SECBINFHSA-N 0 0 297.761 3.252 20 10 CGCDRN CCOc1cccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c1O ZINC000295116445 372694178 /nfs/dbraw/zinc/69/41/78/372694178.db2.gz WUERQNMGNBESEF-OAHLLOKOSA-N 0 0 293.407 3.038 20 10 CGCDRN CCN(C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000171108350 372713079 /nfs/dbraw/zinc/71/30/79/372713079.db2.gz IZWSTGCCHHKORY-UHFFFAOYSA-N 0 0 289.423 3.227 20 10 CGCDRN CN(C)C(=O)c1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296597928 373189398 /nfs/dbraw/zinc/18/93/98/373189398.db2.gz XJYZFUVJLGTZEY-OAHLLOKOSA-N 0 0 296.370 3.193 20 10 CGCDRN CCOc1cc(NCc2c(O)ccc3c2CCCC3)ncn1 ZINC000302288865 373849600 /nfs/dbraw/zinc/84/96/00/373849600.db2.gz MNQFNWWNHBTTOA-UHFFFAOYSA-N 0 0 299.374 3.072 20 10 CGCDRN C[C@@H](Nc1cncc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000302428101 373866229 /nfs/dbraw/zinc/86/62/29/373866229.db2.gz PDCUBFPOLVAQQQ-SNVBAGLBSA-N 0 0 276.771 3.369 20 10 CGCDRN COc1cc(O)c(C[N@H+](CC(C)C)C(C)C)cc1OC ZINC000179755243 373911829 /nfs/dbraw/zinc/91/18/29/373911829.db2.gz HEKFSRDOENGKBY-UHFFFAOYSA-N 0 0 281.396 3.276 20 10 CGCDRN C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)C1 ZINC000181252268 374099103 /nfs/dbraw/zinc/09/91/03/374099103.db2.gz LPQDIYQMWHJHSM-DRKGASSASA-N 0 0 289.375 3.006 20 10 CGCDRN COC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccco1 ZINC000182531593 374286555 /nfs/dbraw/zinc/28/65/55/374286555.db2.gz PXBAGTMMTOCCEM-GFCCVEGCSA-N 0 0 281.739 3.116 20 10 CGCDRN CCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183426174 374412136 /nfs/dbraw/zinc/41/21/36/374412136.db2.gz RDLKNMNSLOBOBV-LBPRGKRZSA-N 0 0 299.370 3.021 20 10 CGCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000183471770 374418621 /nfs/dbraw/zinc/41/86/21/374418621.db2.gz FAZZYUVHRQWNLO-CYBMUJFWSA-N 0 0 299.370 3.076 20 10 CGCDRN C[C@@H](Nc1cnn(CC(F)F)c1)c1ccccc1O ZINC000183664531 374440987 /nfs/dbraw/zinc/44/09/87/374440987.db2.gz BQRUOTUGYKKNIF-SECBINFHSA-N 0 0 267.279 3.027 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187740964 375085839 /nfs/dbraw/zinc/08/58/39/375085839.db2.gz MSDNSQXSCMVTTP-MNOVXSKESA-N 0 0 287.350 3.120 20 10 CGCDRN C[C@H]([NH2+]CCCc1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000187800185 375099313 /nfs/dbraw/zinc/09/93/13/375099313.db2.gz IXFHLEXCOLQLTO-NSHDSACASA-N 0 0 292.329 3.349 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187829438 375104039 /nfs/dbraw/zinc/10/40/39/375104039.db2.gz UIAPUCWYNBJJJL-RKDXNWHRSA-N 0 0 275.364 3.463 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCCCCO ZINC000224945637 376289935 /nfs/dbraw/zinc/28/99/35/376289935.db2.gz SPMWKMMMUKOCGJ-UHFFFAOYSA-N 0 0 292.206 3.341 20 10 CGCDRN C[C@@H](NC(=O)CSc1nccs1)c1ccccc1 ZINC000730498276 572357830 /nfs/dbraw/zinc/35/78/30/572357830.db2.gz VWEYSPOHWZQISD-SNVBAGLBSA-N 0 0 278.402 3.113 20 10 CGCDRN C/C=C(\C=C\C(=O)N(C)Cc1ccccc1O)CC ZINC000269097220 378186821 /nfs/dbraw/zinc/18/68/21/378186821.db2.gz JTKZMAHTQYGFKI-VVWRKKLTSA-N 0 0 259.349 3.263 20 10 CGCDRN CCCC[C@@H](CC)C(=O)NCc1cccc(OC)c1O ZINC000269167188 378193951 /nfs/dbraw/zinc/19/39/51/378193951.db2.gz FZQBAVAJXCGHKK-GFCCVEGCSA-N 0 0 279.380 3.233 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273369848 378742675 /nfs/dbraw/zinc/74/26/75/378742675.db2.gz FUMWUGZODOIDLG-IUCAKERBSA-N 0 0 290.190 3.386 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)c(O)c1C ZINC000273404456 378744332 /nfs/dbraw/zinc/74/43/32/378744332.db2.gz OAGJTHOSESPKBN-BHYGNILZSA-N 0 0 288.435 3.286 20 10 CGCDRN COc1ccc(N(C)Cc2cn(C)nc2C(F)F)cc1F ZINC000274484211 378841454 /nfs/dbraw/zinc/84/14/54/378841454.db2.gz NJVNIMCGLPNUFB-UHFFFAOYSA-N 0 0 299.296 3.142 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(N3CCC3=O)cc2)cc1C ZINC000282379028 379907251 /nfs/dbraw/zinc/90/72/51/379907251.db2.gz XHRGQSUFSGIMML-UHFFFAOYSA-N 0 0 296.370 3.358 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc[nH]c1 ZINC000282578442 379948692 /nfs/dbraw/zinc/94/86/92/379948692.db2.gz VUPSEPQVJSGVOR-UHFFFAOYSA-N 0 0 272.348 3.163 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1C ZINC000283759743 380087497 /nfs/dbraw/zinc/08/74/97/380087497.db2.gz AVRNEUMAMIXGNE-RDJZCZTQSA-N 0 0 275.392 3.152 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000285302109 380145003 /nfs/dbraw/zinc/14/50/03/380145003.db2.gz VYZHVDDAMHCHFE-UONOGXRCSA-N 0 0 281.783 3.189 20 10 CGCDRN CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185605973 262306529 /nfs/dbraw/zinc/30/65/29/262306529.db2.gz ISLXEAJDIJBENL-KGLIPLIRSA-N 0 0 265.397 3.150 20 10 CGCDRN Cc1cc(C)cc(NC(=O)CN(C)Cc2ccccc2O)c1 ZINC000109771935 392372535 /nfs/dbraw/zinc/37/25/35/392372535.db2.gz NGHUQEQOZOOYTG-UHFFFAOYSA-N 0 0 298.386 3.080 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C)s2)c(OC)c1 ZINC000132186238 392460442 /nfs/dbraw/zinc/46/04/42/392460442.db2.gz AYUDWQUWVHIWST-UHFFFAOYSA-N 0 0 278.377 3.105 20 10 CGCDRN CN(C)c1ccc(CNc2nc3ccccc3[nH]2)cc1F ZINC000301901220 392602059 /nfs/dbraw/zinc/60/20/59/392602059.db2.gz ZXOATLOEXLCJPI-UHFFFAOYSA-N 0 0 284.338 3.380 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)C2CC2)cc1 ZINC000178439355 392678765 /nfs/dbraw/zinc/67/87/65/392678765.db2.gz SUXNXAAMIRQQSL-CYBMUJFWSA-N 0 0 274.408 3.195 20 10 CGCDRN CCCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172690852 392621538 /nfs/dbraw/zinc/62/15/38/392621538.db2.gz TVKREXPKLHBFSB-UHFFFAOYSA-N 0 0 287.407 3.052 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1[C@@H]2CCCC[C@H]12 ZINC000174635595 392644154 /nfs/dbraw/zinc/64/41/54/392644154.db2.gz YWBKTFGYDZPNRG-JWTNVVGKSA-N 0 0 298.430 3.339 20 10 CGCDRN CCOc1ccc(O)c(CN2CCn3cccc3[C@@H]2C)c1 ZINC000179568460 392703981 /nfs/dbraw/zinc/70/39/81/392703981.db2.gz ZWYVKASIQRKJAN-ZDUSSCGKSA-N 0 0 286.375 3.169 20 10 CGCDRN CSC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000193820440 392885915 /nfs/dbraw/zinc/88/59/15/392885915.db2.gz KESPMNRVRZWKKF-SECBINFHSA-N 0 0 255.358 3.078 20 10 CGCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1=CC(=O)CS1 ZINC000743417801 572658019 /nfs/dbraw/zinc/65/80/19/572658019.db2.gz CYOVISJRCWQLEQ-FOGDFJRCSA-N 0 0 265.378 3.247 20 10 CGCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c(O)c1O ZINC000294903803 292049579 /nfs/dbraw/zinc/04/95/79/292049579.db2.gz VRXRXMXGYCMXEQ-STQMWFEESA-N 0 0 289.375 3.057 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287731506 286911854 /nfs/dbraw/zinc/91/18/54/286911854.db2.gz PDHRGZPTAJTSCA-ZJUUUORDSA-N 0 0 297.704 3.010 20 10 CGCDRN CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1cccc(Cl)c1[O-] ZINC000287697754 286930760 /nfs/dbraw/zinc/93/07/60/286930760.db2.gz NMFOOTCSVZCOAX-SMDDNHRTSA-N 0 0 285.815 3.493 20 10 CGCDRN CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000124512346 287256635 /nfs/dbraw/zinc/25/66/35/287256635.db2.gz AVMDMTQNDRZNBI-ZYHUDNBSSA-N 0 0 269.772 3.045 20 10 CGCDRN CC[C@@H](C)[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323241 173123547 /nfs/dbraw/zinc/12/35/47/173123547.db2.gz MSLLEPFGTAIJMS-SNVBAGLBSA-N 0 0 267.344 3.354 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000157929976 261155872 /nfs/dbraw/zinc/15/58/72/261155872.db2.gz IITNXTGYAYSKEY-WNMQOVRZSA-N 0 0 279.355 3.140 20 10 CGCDRN CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185620815 262063006 /nfs/dbraw/zinc/06/30/06/262063006.db2.gz FJYJMEFRTBJSQY-LBPRGKRZSA-N 0 0 283.387 3.371 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(CC(F)F)c2)c1 ZINC000186341617 262089318 /nfs/dbraw/zinc/08/93/18/262089318.db2.gz ZGEKTKQNWNFINV-SECBINFHSA-N 0 0 297.305 3.036 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cnn(CC(F)F)c2)c(O)c1 ZINC000186341786 262089613 /nfs/dbraw/zinc/08/96/13/262089613.db2.gz LUTTWZWJIKHNRS-JTQLQIEISA-N 0 0 281.306 3.335 20 10 CGCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000186416053 262091628 /nfs/dbraw/zinc/09/16/28/262091628.db2.gz GWFWZCHKBRIAIY-CJNGLKHVSA-N 0 0 261.365 3.033 20 10 CGCDRN CS[C@H]1CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272440193 263004418 /nfs/dbraw/zinc/00/44/18/263004418.db2.gz OMOCKWZSOBZPGU-LBPRGKRZSA-N 0 0 269.385 3.249 20 10 CGCDRN O=C(CC1CCCCCC1)NCc1ccccc1O ZINC000135827824 264638404 /nfs/dbraw/zinc/63/84/04/264638404.db2.gz AGSFVOHHYGVOJW-UHFFFAOYSA-N 0 0 261.365 3.369 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(F)c(F)c1[O-] ZINC000276939623 328220489 /nfs/dbraw/zinc/22/04/89/328220489.db2.gz PIABTGDJLORSAN-BDAKNGLRSA-N 0 0 273.348 3.217 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCc1ccsc1 ZINC000298811456 328297581 /nfs/dbraw/zinc/29/75/81/328297581.db2.gz WBDGAKTWVSZNFV-UHFFFAOYSA-N 0 0 275.373 3.045 20 10 CGCDRN O=C1Nc2ccccc2CC[C@@H]1Sc1nccs1 ZINC000187911361 329361265 /nfs/dbraw/zinc/36/12/65/329361265.db2.gz XKYMZVSCTLEBRP-NSHDSACASA-N 0 0 276.386 3.189 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccnc1C)c1ccc(F)cc1[O-] ZINC000527987942 330298996 /nfs/dbraw/zinc/29/89/96/330298996.db2.gz QFMJTUQUOPBULT-OAHLLOKOSA-N 0 0 274.339 3.476 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)C[C@@H]1C ZINC000472287165 331534755 /nfs/dbraw/zinc/53/47/55/331534755.db2.gz YGNZXEDPQQAWJJ-STQMWFEESA-N 0 0 299.418 3.427 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1cccc(OC)c1 ZINC000491091030 332147817 /nfs/dbraw/zinc/14/78/17/332147817.db2.gz DNFBBPWDBQFSKL-MDZDMXLPSA-N 0 0 282.343 3.157 20 10 CGCDRN CN(C(=O)/C=C/c1ccn(C)c1)c1ccc2cc[nH]c2c1 ZINC000491979706 332377982 /nfs/dbraw/zinc/37/79/82/332377982.db2.gz FDUWVSYDWGTQGQ-ZZXKWVIFSA-N 0 0 279.343 3.183 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccccc1 ZINC000185992801 333153035 /nfs/dbraw/zinc/15/30/35/333153035.db2.gz JEIVHMRHIAFTMN-CMDGGOBGSA-N 0 0 258.346 3.128 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000528828264 333460647 /nfs/dbraw/zinc/46/06/47/333460647.db2.gz UXRBJQGSWCWVRR-JCURWCKSSA-N 0 0 287.403 3.423 20 10 CGCDRN Cc1nnc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)s1 ZINC000274173253 334776899 /nfs/dbraw/zinc/77/68/99/334776899.db2.gz HXRXISPLXUHJLI-NXEZZACHSA-N 0 0 277.393 3.272 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCCc2cccc(F)c21 ZINC000493398458 501039241 /nfs/dbraw/zinc/03/92/41/501039241.db2.gz INQDUHSUJRYDCX-SREVYHEPSA-N 0 0 288.347 3.275 20 10 CGCDRN CC(C)(C)c1nc(CC(=O)Nc2ccc(N)cc2)cs1 ZINC000236630231 519094797 /nfs/dbraw/zinc/09/47/97/519094797.db2.gz AFRYJHDRMIMDIY-UHFFFAOYSA-N 0 0 289.404 3.204 20 10 CGCDRN CC(C)(CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000299581708 519190599 /nfs/dbraw/zinc/19/05/99/519190599.db2.gz RGNNVVIWDMZKQX-UHFFFAOYSA-N 0 0 283.371 3.376 20 10 CGCDRN CC(=O)C(=O)CSc1nc(C)c(C)n1C1CCCCC1 ZINC000289522576 519357420 /nfs/dbraw/zinc/35/74/20/519357420.db2.gz DIPYKARJECCLNI-UHFFFAOYSA-N 0 0 294.420 3.255 20 10 CGCDRN CCCCCC[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000037041835 520128479 /nfs/dbraw/zinc/12/84/79/520128479.db2.gz HQAKSDVGRXNJKI-ZDUSSCGKSA-N 0 0 262.397 3.286 20 10 CGCDRN CC1(C(=O)NCc2ccc(N)cc2)CCCCCC1 ZINC000297223788 520226432 /nfs/dbraw/zinc/22/64/32/520226432.db2.gz OGNXEVYEEZOXIK-UHFFFAOYSA-N 0 0 260.381 3.246 20 10 CGCDRN CCCOc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000077258425 520438336 /nfs/dbraw/zinc/43/83/36/520438336.db2.gz HBGIGRJNDOCNDK-UHFFFAOYSA-N 0 0 299.370 3.453 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CCSC ZINC000282468350 520547432 /nfs/dbraw/zinc/54/74/32/520547432.db2.gz KOCQJTHGNJGPBR-UHFFFAOYSA-N 0 0 281.421 3.274 20 10 CGCDRN CC1=C(C)CN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000280032414 520830096 /nfs/dbraw/zinc/83/00/96/520830096.db2.gz PWGVPKLXUAPREX-UHFFFAOYSA-N 0 0 287.407 3.004 20 10 CGCDRN c1csc(SCCCNc2ccnc(C3CC3)n2)n1 ZINC000114450344 534524627 /nfs/dbraw/zinc/52/46/27/534524627.db2.gz AHHGOUMRZYVIGD-UHFFFAOYSA-N 0 0 292.433 3.405 20 10 CGCDRN CCN(CC)c1ccc(CNCc2nccs2)cc1 ZINC000040443904 520907914 /nfs/dbraw/zinc/90/79/14/520907914.db2.gz UFLJIJJJWSNPCW-UHFFFAOYSA-N 0 0 275.421 3.279 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nc(C3CC3)no2)cc1 ZINC000299421896 521028538 /nfs/dbraw/zinc/02/85/38/521028538.db2.gz RSGPWKRXMITBSL-UHFFFAOYSA-N 0 0 287.363 3.372 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)ccn1C ZINC000275899764 521319774 /nfs/dbraw/zinc/31/97/74/521319774.db2.gz UQVOPTFCMLTCDB-UHFFFAOYSA-N 0 0 299.418 3.062 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCS1 ZINC000266510573 521689235 /nfs/dbraw/zinc/68/92/35/521689235.db2.gz HGGJJYXBFKXUIU-CQSZACIVSA-N 0 0 279.405 3.026 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1nc(C)oc1C ZINC000293435335 521689871 /nfs/dbraw/zinc/68/98/71/521689871.db2.gz QUAZJYVACUMVRE-UHFFFAOYSA-N 0 0 288.347 3.049 20 10 CGCDRN COc1c([O-])c(C[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278168529 521866267 /nfs/dbraw/zinc/86/62/67/521866267.db2.gz FNIGKKKWGCHLGJ-UHFFFAOYSA-N 0 0 294.351 3.074 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)CCC2CC2)C2CC2)cc1 ZINC000265248330 522162483 /nfs/dbraw/zinc/16/24/83/522162483.db2.gz YTXMVLFPAZHYNW-UHFFFAOYSA-N 0 0 286.419 3.434 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2CCC(F)(F)CC2)cc1 ZINC000123862993 522185699 /nfs/dbraw/zinc/18/56/99/522185699.db2.gz ICFIMHSGVMCDEM-UHFFFAOYSA-N 0 0 296.361 3.194 20 10 CGCDRN CC[C@@H](CC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000104853155 522466640 /nfs/dbraw/zinc/46/66/40/522466640.db2.gz JZLTWCCPNPMZHI-ZDUSSCGKSA-N 0 0 263.381 3.423 20 10 CGCDRN COCC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295440371 522935013 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618126508 /nfs/dbraw/zinc/12/65/08/618126508.db2.gz OWVXGSDOQJOQKS-UHFFFAOYSA-N 0 0 291.372 3.064 20 10 CGCDRN CC(=O)c1cc(F)cc(CN2Cc3ccccc3C2)c1O ZINC000050911699 618161402 /nfs/dbraw/zinc/16/14/02/618161402.db2.gz NCMXAIYYDWJXBV-UHFFFAOYSA-N 0 0 285.318 3.250 20 10 CGCDRN CCc1ccc2c(c1)CCN2C(=O)/C=C(/C)c1cnccn1 ZINC000891384373 618177769 /nfs/dbraw/zinc/17/77/69/618177769.db2.gz NMOFGUVQKSBNQT-RAXLEYEMSA-N 0 0 293.370 3.032 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2cc(C(F)F)ncn2)c1 ZINC000892329630 618696956 /nfs/dbraw/zinc/69/69/56/618696956.db2.gz CFWQYDHUEVJTBE-QMMMGPOBSA-N 0 0 295.289 3.302 20 10 CGCDRN C[C@H](NCc1nccn1C(F)F)c1ccc(N(C)C)cc1 ZINC000162226405 618746942 /nfs/dbraw/zinc/74/69/42/618746942.db2.gz IONNFXGHVFBAPA-NSHDSACASA-N 0 0 294.349 3.195 20 10 CGCDRN CCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000040214804 618939564 /nfs/dbraw/zinc/93/95/64/618939564.db2.gz KEJNATPWPQCPIX-UHFFFAOYSA-N 0 0 291.372 3.146 20 10 CGCDRN C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(N)cc1 ZINC000308703912 618974069 /nfs/dbraw/zinc/97/40/69/618974069.db2.gz HPOYWJKLURNAOZ-ABAIWWIYSA-N 0 0 261.369 3.359 20 10 CGCDRN Cc1cc(F)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180592618 619017599 /nfs/dbraw/zinc/01/75/99/619017599.db2.gz HINXLZOOHLGFIK-XVNBXDOJSA-N 0 0 287.290 3.197 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2[nH]ccc2c1 ZINC000180622724 619017871 /nfs/dbraw/zinc/01/78/71/619017871.db2.gz YRMHECYBQOBHCZ-QHHAFSJGSA-N 0 0 294.310 3.231 20 10 CGCDRN CCOC(=O)c1cnc(SC2CCCC2)s1 ZINC000309343485 619018822 /nfs/dbraw/zinc/01/88/22/619018822.db2.gz XXYQLXDMPYLTAX-UHFFFAOYSA-N 0 0 257.380 3.355 20 10 CGCDRN CCOc1ccc(O)c(CNc2ccc(Cl)cn2)c1 ZINC000191935696 619114273 /nfs/dbraw/zinc/11/42/73/619114273.db2.gz XEIRBHDYQYBHBS-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN CC(C)(C)C[N@H+](CCCO)Cc1cc(Cl)ccc1[O-] ZINC000093146135 619169619 /nfs/dbraw/zinc/16/96/19/619169619.db2.gz BVQRWKHKHQFJAQ-UHFFFAOYSA-N 0 0 285.815 3.276 20 10 CGCDRN COc1ccccc1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000184861409 619221982 /nfs/dbraw/zinc/22/19/82/619221982.db2.gz RTLNSZAIGSXSAX-LBPRGKRZSA-N 0 0 289.350 3.433 20 10 CGCDRN Oc1cccc(Cl)c1CN1CCO[C@H](C2CCC2)C1 ZINC000840954849 619260474 /nfs/dbraw/zinc/26/04/74/619260474.db2.gz MJOWWOQXWXRIKX-HNNXBMFYSA-N 0 0 281.783 3.047 20 10 CGCDRN Cc1ccnc(NCc2ccccc2O)c1Br ZINC000235939615 619302810 /nfs/dbraw/zinc/30/28/10/619302810.db2.gz QCFDBZBLEVSINU-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)NCC1(C2CC2)CC1 ZINC000893806900 619318196 /nfs/dbraw/zinc/31/81/96/619318196.db2.gz IKFIUMQEVSICBX-UHFFFAOYSA-N 0 0 294.782 3.035 20 10 CGCDRN COc1cccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])c1 ZINC000893881085 619326662 /nfs/dbraw/zinc/32/66/62/619326662.db2.gz UBLAHGSXKOEPQR-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN COc1cccc(NNC(=S)Nc2cccc(C)c2)c1 ZINC000018167669 619520954 /nfs/dbraw/zinc/52/09/54/619520954.db2.gz SFOIKHZOQXBMQT-UHFFFAOYSA-N 0 0 287.388 3.317 20 10 CGCDRN Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000018174747 619521264 /nfs/dbraw/zinc/52/12/64/619521264.db2.gz AOMKBOXHFAJAOS-UHFFFAOYSA-N 0 0 283.375 3.383 20 10 CGCDRN CCn1nc(C)c(NCc2cc(C)cc(OC)c2O)c1C ZINC000894409960 619524111 /nfs/dbraw/zinc/52/41/11/619524111.db2.gz HWKPYIZYVCUYNR-UHFFFAOYSA-N 0 0 289.379 3.155 20 10 CGCDRN C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000049015250 619675429 /nfs/dbraw/zinc/67/54/29/619675429.db2.gz UMDRIQXOCUWNFS-BXUZGUMPSA-N 0 0 261.369 3.311 20 10 CGCDRN CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185494474 625363125 /nfs/dbraw/zinc/36/31/25/625363125.db2.gz TYSLEJPGSADLLY-AAEUAGOBSA-N 0 0 269.360 3.387 20 10 CGCDRN CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185494490 625363214 /nfs/dbraw/zinc/36/32/14/625363214.db2.gz TYSLEJPGSADLLY-WCQYABFASA-N 0 0 269.360 3.387 20 10 CGCDRN Cc1cc(O)c(CN2CC[C@H]2C(F)F)cc1Cl ZINC000895430483 619825103 /nfs/dbraw/zinc/82/51/03/619825103.db2.gz FOWVGTCBAPUBIV-JTQLQIEISA-N 0 0 261.699 3.193 20 10 CGCDRN Cc1cc(Br)cc(CN[C@@H](C)C(F)F)c1O ZINC000895729287 619877517 /nfs/dbraw/zinc/87/75/17/619877517.db2.gz FQHHEUXZLUBSGM-ZETCQYMHSA-N 0 0 294.139 3.206 20 10 CGCDRN Cc1nn(C(C)C)c(C)c1CN1Cc2cccc(O)c2C1 ZINC000895785367 619885599 /nfs/dbraw/zinc/88/55/99/619885599.db2.gz PNAAKFYRBATGAD-UHFFFAOYSA-N 0 0 285.391 3.302 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845685 619893448 /nfs/dbraw/zinc/89/34/48/619893448.db2.gz HWNISKVQDZUGFF-FZMZJTMJSA-N 0 0 281.783 3.047 20 10 CGCDRN CC(C)c1nnc(NCc2c(O)cccc2F)s1 ZINC000895832171 619894483 /nfs/dbraw/zinc/89/44/83/619894483.db2.gz CZTCKQBEWCWYTJ-UHFFFAOYSA-N 0 0 267.329 3.118 20 10 CGCDRN C[C@H]1CCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896187467 619964036 /nfs/dbraw/zinc/96/40/36/619964036.db2.gz PBUSPCMLVHFYGY-WCBMZHEXSA-N 0 0 291.372 3.231 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000896641325 620042520 /nfs/dbraw/zinc/04/25/20/620042520.db2.gz QEFJZICGRMXBFZ-LBPRGKRZSA-N 0 0 287.334 3.187 20 10 CGCDRN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000896755277 620056437 /nfs/dbraw/zinc/05/64/37/620056437.db2.gz AGRUXZIBOYXNAB-RKDXNWHRSA-N 0 0 291.372 3.041 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000896951744 620111567 /nfs/dbraw/zinc/11/15/67/620111567.db2.gz LLDYLAJDZCOJEX-WCBMZHEXSA-N 0 0 273.348 3.044 20 10 CGCDRN CC1=CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897217076 620163736 /nfs/dbraw/zinc/16/37/36/620163736.db2.gz IGGFUHOCZOJZOO-UHFFFAOYSA-N 0 0 289.356 3.105 20 10 CGCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cc(F)ccc1O ZINC000185644458 625404988 /nfs/dbraw/zinc/40/49/88/625404988.db2.gz QUDLXQFQUALZIL-KNXALSJPSA-N 0 0 281.371 3.123 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC1(C)C ZINC000751750482 620222911 /nfs/dbraw/zinc/22/29/11/620222911.db2.gz SOHFPKJEDKRVQT-OAHLLOKOSA-N 0 0 274.408 3.147 20 10 CGCDRN O=C(Nc1ccccc1OCC1CC1)c1cccc(O)c1O ZINC000185721052 625423786 /nfs/dbraw/zinc/42/37/86/625423786.db2.gz WKJDRNUNNGPEOV-UHFFFAOYSA-N 0 0 299.326 3.139 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc([C@H](C)CC(N)=O)cc1 ZINC000897838299 620437783 /nfs/dbraw/zinc/43/77/83/620437783.db2.gz LNCBWLOCLGPKSE-CYBMUJFWSA-N 0 0 298.386 3.292 20 10 CGCDRN Cc1ccc(O)c(CNc2ccc([C@@H](C)CC(N)=O)cc2)c1 ZINC000897836582 620437828 /nfs/dbraw/zinc/43/78/28/620437828.db2.gz BYQHONGJUQWICP-ZDUSSCGKSA-N 0 0 298.386 3.292 20 10 CGCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000897967738 620458617 /nfs/dbraw/zinc/45/86/17/620458617.db2.gz XSMDYOSPACOLJA-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN CCOc1cncc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000898214978 620489049 /nfs/dbraw/zinc/48/90/49/620489049.db2.gz IEAHUSTZKMONAV-UHFFFAOYSA-N 0 0 292.766 3.129 20 10 CGCDRN COC1(C[C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000898218549 620489575 /nfs/dbraw/zinc/48/95/75/620489575.db2.gz JTECPGYBYFFCBI-LLVKDONJSA-N 0 0 283.799 3.483 20 10 CGCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC000898293936 620506915 /nfs/dbraw/zinc/50/69/15/620506915.db2.gz FLFMCRYBZHSICJ-MRVPVSSYSA-N 0 0 293.388 3.477 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866499133 620536548 /nfs/dbraw/zinc/53/65/48/620536548.db2.gz FXMDVPLNCLBPIO-BDODKLCJSA-N 0 0 263.234 3.133 20 10 CGCDRN C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000927148219 620604913 /nfs/dbraw/zinc/60/49/13/620604913.db2.gz PSHBKZLOWFKBAS-IWSPIJDZSA-N 0 0 290.190 3.121 20 10 CGCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000898877526 620605923 /nfs/dbraw/zinc/60/59/23/620605923.db2.gz KQMUWDXPCMCIRS-ZWNOBZJWSA-N 0 0 294.782 3.200 20 10 CGCDRN COC(=O)[C@@H]1CCCC[C@@H]1CSc1nccs1 ZINC000901479095 620891600 /nfs/dbraw/zinc/89/16/00/620891600.db2.gz ZUONYVIHHYAXTG-NXEZZACHSA-N 0 0 271.407 3.215 20 10 CGCDRN CCOc1ccc(CNc2cnc(C3CC3)nc2)c(O)c1 ZINC000902089492 621142582 /nfs/dbraw/zinc/14/25/82/621142582.db2.gz BLMQQCZNDTVISG-UHFFFAOYSA-N 0 0 285.347 3.070 20 10 CGCDRN COc1cc(CNc2cncnc2)c(O)c(C(C)(C)C)c1 ZINC000902158778 621174630 /nfs/dbraw/zinc/17/46/30/621174630.db2.gz RRRIHKYIGMUTFI-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN CCN(C)c1ccc([C@H](C)NCc2csc(N)n2)cc1 ZINC000902488264 621355371 /nfs/dbraw/zinc/35/53/71/621355371.db2.gz GPLRCMZQJZAFTD-NSHDSACASA-N 0 0 290.436 3.032 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1c([O-])cccc1F ZINC000903255300 621643659 /nfs/dbraw/zinc/64/36/59/621643659.db2.gz XMQKQVNHETTXLG-JVLSTEMRSA-N 0 0 279.355 3.140 20 10 CGCDRN Cc1cc(F)ccc1NCc1cc2c(cc1O)OCO2 ZINC000042879318 621886061 /nfs/dbraw/zinc/88/60/61/621886061.db2.gz JYFABKPVABPDRW-UHFFFAOYSA-N 0 0 275.279 3.181 20 10 CGCDRN CCCc1nnc(NCc2cc(F)cc(F)c2O)s1 ZINC000905404824 622067186 /nfs/dbraw/zinc/06/71/86/622067186.db2.gz DQKCITAZRCCNGX-UHFFFAOYSA-N 0 0 285.319 3.087 20 10 CGCDRN Oc1ccccc1CNc1ccc(Br)nc1 ZINC000134604098 625552336 /nfs/dbraw/zinc/55/23/36/625552336.db2.gz RHDUSWLPOMVAPY-UHFFFAOYSA-N 0 0 279.137 3.162 20 10 CGCDRN COc1cccc(CNC(=O)[C@H]2CCC=CCCC2)c1O ZINC000907059811 622280210 /nfs/dbraw/zinc/28/02/10/622280210.db2.gz HEOGPWHHBGMNEB-ZDUSSCGKSA-N 0 0 289.375 3.154 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000840763830 625555810 /nfs/dbraw/zinc/55/58/10/625555810.db2.gz LTXKLWRTYQLGPR-WCFLWFBJSA-N 0 0 267.344 3.138 20 10 CGCDRN CCOc1ccc(N(C)Cc2cccc(C(=O)NC)c2)cc1 ZINC000150729639 622656871 /nfs/dbraw/zinc/65/68/71/622656871.db2.gz LQXHLHRWPUXJSH-UHFFFAOYSA-N 0 0 298.386 3.081 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc(C(=O)OC)co2)cc1 ZINC000150730730 622658051 /nfs/dbraw/zinc/65/80/51/622658051.db2.gz ACHZPEPHRIOVJY-UHFFFAOYSA-N 0 0 289.331 3.101 20 10 CGCDRN CC[C@@H](C)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000056185461 622851777 /nfs/dbraw/zinc/85/17/77/622851777.db2.gz DKUXNYODUHVKOA-CYBMUJFWSA-N 0 0 277.412 3.131 20 10 CGCDRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000045929086 622907359 /nfs/dbraw/zinc/90/73/59/622907359.db2.gz XHYLPSXQAFDCTP-UHFFFAOYSA-N 0 0 291.372 3.118 20 10 CGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccsc1 ZINC000157654244 622919137 /nfs/dbraw/zinc/91/91/37/622919137.db2.gz UYVAQLSOBVYKPQ-UHFFFAOYSA-N 0 0 299.399 3.446 20 10 CGCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226586165 622986637 /nfs/dbraw/zinc/98/66/37/622986637.db2.gz ZYSRMCJGTQHPRD-NWDGAFQWSA-N 0 0 251.345 3.447 20 10 CGCDRN CSCCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168785221 623014560 /nfs/dbraw/zinc/01/45/60/623014560.db2.gz XZVZKQJZPSVZKN-JTQLQIEISA-N 0 0 257.374 3.325 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C1CC1 ZINC000171116331 623133572 /nfs/dbraw/zinc/13/35/72/623133572.db2.gz KTGFYWYXWFXXEW-UHFFFAOYSA-N 0 0 274.389 3.390 20 10 CGCDRN COc1cc(Cl)cc(CNc2cncc(C)c2)c1O ZINC000230935333 623283355 /nfs/dbraw/zinc/28/33/55/623283355.db2.gz JZMCXDCEBAKVDR-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN O=C(NCc1ccc(O)c(O)c1)Nc1ccc(Cl)cc1 ZINC000174373049 623387008 /nfs/dbraw/zinc/38/70/08/623387008.db2.gz CCDOERLDZIKXEB-UHFFFAOYSA-N 0 0 292.722 3.073 20 10 CGCDRN CC1(C)COC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000313025694 623626223 /nfs/dbraw/zinc/62/62/23/623626223.db2.gz HUKVCWOXGZOSQE-NSHDSACASA-N 0 0 290.190 3.214 20 10 CGCDRN C/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000914506147 623816639 /nfs/dbraw/zinc/81/66/39/623816639.db2.gz GTBJUNJHEOVGJH-VOTSOKGWSA-N 0 0 260.381 3.066 20 10 CGCDRN Cc1cc(C(=O)N2C3CCC2CC3)c(C)n1-c1ccccn1 ZINC000914849473 623866787 /nfs/dbraw/zinc/86/67/87/623866787.db2.gz LBYXMVISZDUNLO-UHFFFAOYSA-N 0 0 295.386 3.256 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N1CCc2cccc(C)c21 ZINC000186159140 625691409 /nfs/dbraw/zinc/69/14/09/625691409.db2.gz ZRCKSPDADYAFSU-VOTSOKGWSA-N 0 0 284.384 3.362 20 10 CGCDRN O=C(/C=C\c1cccnc1)N1CCc2cccc(Cl)c21 ZINC000916419988 624157543 /nfs/dbraw/zinc/15/75/43/624157543.db2.gz PSWWSCQJHQTVTI-SREVYHEPSA-N 0 0 284.746 3.338 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)NC(C)(C)C)C2CC2)cc1 ZINC000917005046 624227216 /nfs/dbraw/zinc/22/72/16/624227216.db2.gz KMYCNXUMPNWAAD-UHFFFAOYSA-N 0 0 289.423 3.225 20 10 CGCDRN Clc1cnc(SC[C@@H]2C[C@@]23CCOC3)s1 ZINC000918095668 624333312 /nfs/dbraw/zinc/33/33/12/624333312.db2.gz LGLTWMAXMBUTLE-OIBJUYFYSA-N 0 0 261.799 3.315 20 10 CGCDRN CCN(CC1CC1)C(=O)NCCCSc1nccs1 ZINC000154654714 624337661 /nfs/dbraw/zinc/33/76/61/624337661.db2.gz OIXHLZKSXXVFOK-UHFFFAOYSA-N 0 0 299.465 3.067 20 10 CGCDRN CCC/C(C)=C/C(=O)NCc1ccc(N(C)C)cc1 ZINC000920216846 624457167 /nfs/dbraw/zinc/45/71/67/624457167.db2.gz UXWBXAIEUZNULD-ACCUITESSA-N 0 0 260.381 3.115 20 10 CGCDRN CCC[C@@H](CC)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000170880064 624728672 /nfs/dbraw/zinc/72/86/72/624728672.db2.gz RNMIJQFXELDINC-VXGBXAGGSA-N 0 0 294.395 3.340 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2ccccc21 ZINC000180580557 624759996 /nfs/dbraw/zinc/75/99/96/624759996.db2.gz JZAQCOTYPGBSBQ-CSKARUKUSA-N 0 0 295.338 3.090 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180977768 624796607 /nfs/dbraw/zinc/79/66/07/624796607.db2.gz BQQNKMMYIJWWGN-WGDOYQSBSA-N 0 0 289.375 3.054 20 10 CGCDRN C[C@@H]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180971477 624796858 /nfs/dbraw/zinc/79/68/58/624796858.db2.gz ADDLHEHEDPPTEG-AGMJWKPSSA-N 0 0 289.375 3.054 20 10 CGCDRN C[C@@H]1CCC[C@H](C)C1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181093454 624807067 /nfs/dbraw/zinc/80/70/67/624807067.db2.gz MTHCHRMJIRWQIO-LNALVXMOSA-N 0 0 289.375 3.052 20 10 CGCDRN Cc1ccc(O)c(CNc2nc3ccccc3o2)c1 ZINC000181503504 624867451 /nfs/dbraw/zinc/86/74/51/624867451.db2.gz HUTNKKYNRQHGJT-UHFFFAOYSA-N 0 0 254.289 3.454 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(CC3CCCC3)o2)c1 ZINC000181809633 624898966 /nfs/dbraw/zinc/89/89/66/624898966.db2.gz CJTCDXVCABNJAN-UHFFFAOYSA-N 0 0 287.363 3.428 20 10 CGCDRN CCc1ccc(NC(=S)NCc2ncccc2C)cc1 ZINC000242813546 624953697 /nfs/dbraw/zinc/95/36/97/624953697.db2.gz FJXDOKNJOCUDOE-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN CS[C@H](C)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000773204851 625868285 /nfs/dbraw/zinc/86/82/85/625868285.db2.gz MNKXZYMBQFAYMC-CYBMUJFWSA-N 0 0 294.464 3.243 20 10 CGCDRN CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756340683 625875641 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289.375 3.186 20 10 CGCDRN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534804 626713191 /nfs/dbraw/zinc/71/31/91/626713191.db2.gz OURLUIUEZWCFBZ-DTWKUNHWSA-N 0 0 295.333 3.124 20 10 CGCDRN C[C@@H]([NH2+]CC1CCSCC1)c1cc(F)cc(F)c1[O-] ZINC000756573464 626717032 /nfs/dbraw/zinc/71/70/32/626717032.db2.gz JXZMCGVKMKKJJX-SECBINFHSA-N 0 0 287.375 3.464 20 10 CGCDRN CN(C/C(Cl)=C/Cl)c1ccc2c(c1)OCO2 ZINC000756657945 626725285 /nfs/dbraw/zinc/72/52/85/626725285.db2.gz GGTFDKGBIHWUPM-YVMONPNESA-N 0 0 260.120 3.171 20 10 CGCDRN CCCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756758138 626730141 /nfs/dbraw/zinc/73/01/41/626730141.db2.gz RZEMWXQAPYXHGV-GFCCVEGCSA-N 0 0 291.391 3.410 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000756778923 626731127 /nfs/dbraw/zinc/73/11/27/626731127.db2.gz GRAKZABBUSZUKJ-DGCLKSJQSA-N 0 0 291.391 3.408 20 10 CGCDRN CN(C)c1ccc(CNC(=O)Nc2ccsc2)cc1 ZINC000757508337 626784228 /nfs/dbraw/zinc/78/42/28/626784228.db2.gz 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ZINC000774258114 627969993 /nfs/dbraw/zinc/96/99/93/627969993.db2.gz SLZCFURPQSJFFK-NWDGAFQWSA-N 0 0 279.453 3.076 20 10 CGCDRN Cc1cc(N[C@@H](C)c2ccccc2O)cc(OCCO)c1 ZINC000774510873 627999313 /nfs/dbraw/zinc/99/93/13/627999313.db2.gz SYMLDKOFGPCJIL-ZDUSSCGKSA-N 0 0 287.359 3.245 20 10 CGCDRN COc1c([O-])c(C[NH2+][C@@H](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000774943999 628050826 /nfs/dbraw/zinc/05/08/26/628050826.db2.gz ZCSKVJPPFGXJKH-NSHDSACASA-N 0 0 296.367 3.223 20 10 CGCDRN COc1cc(N(C)CC2(C)CCC2)cc(OC)c1OC ZINC000775054969 628058080 /nfs/dbraw/zinc/05/80/80/628058080.db2.gz DIIUODPLNXEFGX-UHFFFAOYSA-N 0 0 279.380 3.339 20 10 CGCDRN CC[C@H](NCc1nnc(C)s1)c1cc(Cl)ccc1O ZINC000775546633 628105674 /nfs/dbraw/zinc/10/56/74/628105674.db2.gz KJZYFFKWXKYYPA-NSHDSACASA-N 0 0 297.811 3.446 20 10 CGCDRN C[N@H+](Cc1cccc(O)c1)Cc1cccc(Cl)c1[O-] ZINC000775632877 628116924 /nfs/dbraw/zinc/11/69/24/628116924.db2.gz CPAOGLQMZRBELG-UHFFFAOYSA-N 0 0 277.751 3.383 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775638571 628118540 /nfs/dbraw/zinc/11/85/40/628118540.db2.gz LKVGXPCMNROPQB-SECBINFHSA-N 0 0 257.736 3.417 20 10 CGCDRN Cc1nccc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000775682443 628125445 /nfs/dbraw/zinc/12/54/45/628125445.db2.gz LMQIQYQPYRTEFX-UHFFFAOYSA-N 0 0 295.342 3.290 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(-n3ccnc3)cc2)c1 ZINC000775747427 628132797 /nfs/dbraw/zinc/13/27/97/628132797.db2.gz WJDMKYAZFAVGPY-UHFFFAOYSA-N 0 0 295.342 3.199 20 10 CGCDRN CCCCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835678 628141000 /nfs/dbraw/zinc/14/10/00/628141000.db2.gz HSYSDNCJOVPQAX-UONOGXRCSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000776236971 628183746 /nfs/dbraw/zinc/18/37/46/628183746.db2.gz DLYQQTOPWNUMSY-STQMWFEESA-N 0 0 289.423 3.254 20 10 CGCDRN COc1ccc(N(Cc2ccccc2)CC2OCCO2)cc1 ZINC000777606813 628288620 /nfs/dbraw/zinc/28/86/20/628288620.db2.gz UKQPTULOJIRQDZ-UHFFFAOYSA-N 0 0 299.370 3.075 20 10 CGCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(O)c2)C1 ZINC000779663909 628419609 /nfs/dbraw/zinc/41/96/09/628419609.db2.gz SIROLYKTYOZKBX-FMFIFOJESA-N 0 0 294.354 3.026 20 10 CGCDRN CC[C@@H]1C[C@@H](CN2CCc3cc(OC)ccc32)CCO1 ZINC000780754365 628514423 /nfs/dbraw/zinc/51/44/23/628514423.db2.gz NZPYVZLKTIXUTR-DZGCQCFKSA-N 0 0 275.392 3.263 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000780774215 628516296 /nfs/dbraw/zinc/51/62/96/628516296.db2.gz IHGQLFYTMCQKAE-UONOGXRCSA-N 0 0 263.381 3.337 20 10 CGCDRN CN(C)c1ccc(CNc2ncc(Cl)s2)cc1 ZINC000780907821 628523434 /nfs/dbraw/zinc/52/34/34/628523434.db2.gz XONUVWZDUZIYHX-UHFFFAOYSA-N 0 0 267.785 3.475 20 10 CGCDRN CCC(CC)N(C(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000780920402 628524746 /nfs/dbraw/zinc/52/47/46/628524746.db2.gz CNASMSGAQOXJSD-UHFFFAOYSA-N 0 0 277.364 3.199 20 10 CGCDRN O=C(OCc1csc(C2CC2)n1)C1=CC(=O)CS1 ZINC000783608805 628731749 /nfs/dbraw/zinc/73/17/49/628731749.db2.gz SBDUIHQWPFRVFB-UHFFFAOYSA-N 0 0 281.358 3.145 20 10 CGCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000783710919 628742210 /nfs/dbraw/zinc/74/22/10/628742210.db2.gz ZELJEXOHJBFSBU-KCJUWKMLSA-N 0 0 257.736 3.463 20 10 CGCDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccc(OC)cc1 ZINC000783876154 628754100 /nfs/dbraw/zinc/75/41/00/628754100.db2.gz BEZIDHKSNJAWSF-BJMVGYQFSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000783970500 628761190 /nfs/dbraw/zinc/76/11/90/628761190.db2.gz FZEOYWIKIVRGKL-NPQIQWPPSA-N 0 0 294.354 3.217 20 10 CGCDRN CC(C)[C@@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000784038945 628770415 /nfs/dbraw/zinc/77/04/15/628770415.db2.gz LOWJRDZWMFPPRK-MRXNPFEDSA-N 0 0 292.398 3.238 20 10 CGCDRN CC(C)[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000784044436 628771525 /nfs/dbraw/zinc/77/15/25/628771525.db2.gz ZPQRRDOTBKBYHW-INIZCTEOSA-N 0 0 294.414 3.484 20 10 CGCDRN CCN(CCC(C)(C)OC)c1ccc(OC)c(OC)c1 ZINC000787263415 629005926 /nfs/dbraw/zinc/00/59/26/629005926.db2.gz VDHKIBCSSDSCGG-UHFFFAOYSA-N 0 0 281.396 3.345 20 10 CGCDRN CN(C[C@@H]1CCC2(CCCC2)O1)c1ccc2c(c1)OCO2 ZINC000788486468 629059036 /nfs/dbraw/zinc/05/90/36/629059036.db2.gz WYEFKFXUYLZQOV-AWEZNQCLSA-N 0 0 289.375 3.343 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1c(F)ccc(O)c1F ZINC000788843279 629085881 /nfs/dbraw/zinc/08/58/81/629085881.db2.gz NEDPZSURKLOYSH-UHFFFAOYSA-N 0 0 291.297 3.242 20 10 CGCDRN COc1nn(C)cc1N[C@@H](C)c1ccc2ccccc2c1O ZINC000788984666 629093686 /nfs/dbraw/zinc/09/36/86/629093686.db2.gz LYZVDBJAXGGNIY-NSHDSACASA-N 0 0 297.358 3.461 20 10 CGCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000790646573 629222664 /nfs/dbraw/zinc/22/26/64/629222664.db2.gz NOGBLMJIJXNVOA-VXGBXAGGSA-N 0 0 277.364 3.042 20 10 CGCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]2CCCC[C@H]12 ZINC000790861891 629238331 /nfs/dbraw/zinc/23/83/31/629238331.db2.gz NOOMNADBZKEVLR-BZPMIXESSA-N 0 0 289.375 3.139 20 10 CGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CCC1 ZINC000790979724 629245903 /nfs/dbraw/zinc/24/59/03/629245903.db2.gz GWUNRGZMUHWHOK-QMMMGPOBSA-N 0 0 257.736 3.463 20 10 CGCDRN CCN(C[C@@H](O)c1ccccc1)c1ccc(OC)cc1 ZINC000791473601 629280926 /nfs/dbraw/zinc/28/09/26/629280926.db2.gz PNKBIVILFJDAJN-QGZVFWFLSA-N 0 0 271.360 3.255 20 10 CGCDRN CC(C)n1cc(NC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000875706055 634724816 /nfs/dbraw/zinc/72/48/16/634724816.db2.gz YZOTZDDCYGNASA-LLVKDONJSA-N 0 0 288.351 3.052 20 10 CGCDRN CCCN(Cc1nc(C)c(C)[nH]1)Cc1ccccc1O ZINC000862237400 629328548 /nfs/dbraw/zinc/32/85/48/629328548.db2.gz NYSVPELJMAMGDV-UHFFFAOYSA-N 0 0 273.380 3.144 20 10 CGCDRN CCN(C)c1ccc(CN2CCc3cc(OC)ccc32)cn1 ZINC000792163636 629342967 /nfs/dbraw/zinc/34/29/67/629342967.db2.gz YPNAOYLTHWDHOR-UHFFFAOYSA-N 0 0 297.402 3.109 20 10 CGCDRN CC[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792169592 629343372 /nfs/dbraw/zinc/34/33/72/629343372.db2.gz MDIIODVVNFVNTC-SECBINFHSA-N 0 0 257.736 3.417 20 10 CGCDRN CC[C@H](C)[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000862387183 629359564 /nfs/dbraw/zinc/35/95/64/629359564.db2.gz IJGCUEYQFKJCLW-VIFPVBQESA-N 0 0 292.206 3.292 20 10 CGCDRN COc1cccc(Cl)c1CNC(=O)C1=CC(=O)CS1 ZINC000792499359 629362459 /nfs/dbraw/zinc/36/24/59/629362459.db2.gz OLXZLWNHXKZCNO-UHFFFAOYSA-N 0 0 297.763 3.046 20 10 CGCDRN CCc1cccc(Cn2cnc3c2CCCC3)c1O ZINC000862432251 629371363 /nfs/dbraw/zinc/37/13/63/629371363.db2.gz WWHRATWPCFDFKY-UHFFFAOYSA-N 0 0 256.349 3.078 20 10 CGCDRN CC(C)CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000862480768 629385139 /nfs/dbraw/zinc/38/51/39/629385139.db2.gz JQGFJWLUNOJEAL-GFCCVEGCSA-N 0 0 289.778 3.071 20 10 CGCDRN CC1(C)CCC[C@](CO)([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000862485935 629387653 /nfs/dbraw/zinc/38/76/53/629387653.db2.gz TUYGSYFHEXHFRA-INIZCTEOSA-N 0 0 297.826 3.467 20 10 CGCDRN COc1cccc2c1CN(Cc1cc(F)ccc1O)C2 ZINC000862528824 629391604 /nfs/dbraw/zinc/39/16/04/629391604.db2.gz CVAGSWMGTULHGL-UHFFFAOYSA-N 0 0 273.307 3.056 20 10 CGCDRN CC1(C)CCC(C)(C)N(C(=O)C2=CC(=O)CS2)C1 ZINC000862587806 629416066 /nfs/dbraw/zinc/41/60/66/629416066.db2.gz VBBICSPDPKZVGY-UHFFFAOYSA-N 0 0 267.394 3.495 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC000862755721 629429736 /nfs/dbraw/zinc/42/97/36/629429736.db2.gz WWSSPRYCDRMWMN-HUUCEWRRSA-N 0 0 273.376 3.143 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000862758524 629430719 /nfs/dbraw/zinc/43/07/19/629430719.db2.gz ARIWLMZAWRDGLY-WCQYABFASA-N 0 0 261.365 3.143 20 10 CGCDRN Cc1noc(C(C)C)c1C(=O)NCc1cc(C)ccc1O ZINC000862759339 629430828 /nfs/dbraw/zinc/43/08/28/629430828.db2.gz CXRGYXHLKQECOL-UHFFFAOYSA-N 0 0 288.347 3.050 20 10 CGCDRN CN(Cc1cc2c(cc1O)OCO2)c1ccc2cc[nH]c2c1 ZINC000793240687 629434866 /nfs/dbraw/zinc/43/48/66/629434866.db2.gz JUNMNMUZDLJICR-UHFFFAOYSA-N 0 0 296.326 3.239 20 10 CGCDRN O=C1[C@H](Sc2nccs2)CCN1C1CCCCC1 ZINC000863295314 629527234 /nfs/dbraw/zinc/52/72/34/629527234.db2.gz QFNRFWNBHDMPMM-LLVKDONJSA-N 0 0 282.434 3.169 20 10 CGCDRN CN(Cc1cccc2c1CCOC2)c1ccc2c(c1)OCO2 ZINC000864020797 629729554 /nfs/dbraw/zinc/72/95/54/629729554.db2.gz ZOJAOVHGYJRZJT-UHFFFAOYSA-N 0 0 297.354 3.124 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000864053371 629746183 /nfs/dbraw/zinc/74/61/83/629746183.db2.gz VVRXLKPNPLUUON-QMMMGPOBSA-N 0 0 296.144 3.344 20 10 CGCDRN CC(C)(C)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000796235593 629756049 /nfs/dbraw/zinc/75/60/49/629756049.db2.gz KUVGGMRRLOVBPE-JTQLQIEISA-N 0 0 267.394 3.352 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccc3occc3c2)c1 ZINC000796282667 629760873 /nfs/dbraw/zinc/76/08/73/629760873.db2.gz GAOANVBFDGYSIQ-UHFFFAOYSA-N 0 0 298.298 3.336 20 10 CGCDRN CC[C@@H](O)CN(CCC(C)C)c1ccc(OC)cc1 ZINC000796502325 629790625 /nfs/dbraw/zinc/79/06/25/629790625.db2.gz CIJKISLIXGCXAT-OAHLLOKOSA-N 0 0 265.397 3.319 20 10 CGCDRN COCCc1ccnc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000797043793 629876567 /nfs/dbraw/zinc/87/65/67/629876567.db2.gz OIQBJLXBIRRPER-LLVKDONJSA-N 0 0 290.338 3.288 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864632832 629881528 /nfs/dbraw/zinc/88/15/28/629881528.db2.gz ROVZFDLILBTVJR-ZCPGHIKRSA-N 0 0 286.419 3.003 20 10 CGCDRN CCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000797115436 629890783 /nfs/dbraw/zinc/89/07/83/629890783.db2.gz SZLVMVIYSSWSDZ-YPMHNXCESA-N 0 0 298.377 3.195 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cscn1 ZINC000797725079 629979173 /nfs/dbraw/zinc/97/91/73/629979173.db2.gz QGBRWXZWCAQKQM-UHFFFAOYSA-N 0 0 260.362 3.105 20 10 CGCDRN C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798184611 630032102 /nfs/dbraw/zinc/03/21/02/630032102.db2.gz YVECWROBDSGSGF-ZJUUUORDSA-N 0 0 291.313 3.080 20 10 CGCDRN CC(=O)c1cccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000865443257 630125439 /nfs/dbraw/zinc/12/54/39/630125439.db2.gz WOVUFIPKMNZBPN-UHFFFAOYSA-N 0 0 295.386 3.497 20 10 CGCDRN CC(C)(CNC(=O)NCc1ccccc1O)C1=CCCC1 ZINC000836673497 634789578 /nfs/dbraw/zinc/78/95/78/634789578.db2.gz UDFUMUHBNXDLHD-UHFFFAOYSA-N 0 0 288.391 3.328 20 10 CGCDRN CCCCc1cc(NCc2cc(OC)ccc2O)ncn1 ZINC000865539009 630176359 /nfs/dbraw/zinc/17/63/59/630176359.db2.gz NUJWPAZQXVJFOP-UHFFFAOYSA-N 0 0 287.363 3.146 20 10 CGCDRN CCn1cc(/C=C2\c3cc(Cl)ccc3N(C)C2=O)cn1 ZINC000799501402 630193408 /nfs/dbraw/zinc/19/34/08/630193408.db2.gz BRWHMEWWQJTOLF-AWNIVKPZSA-N 0 0 287.750 3.073 20 10 CGCDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000799730064 630226950 /nfs/dbraw/zinc/22/69/50/630226950.db2.gz WQSVXYJFEUJEKT-DGFSRKRXSA-N 0 0 267.344 3.140 20 10 CGCDRN CN(C)c1ccc(CNc2cccc(-c3nnco3)c2)cc1 ZINC000120659108 630235205 /nfs/dbraw/zinc/23/52/05/630235205.db2.gz AZAUOSMDBJHIMB-UHFFFAOYSA-N 0 0 294.358 3.415 20 10 CGCDRN COCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000800492084 630287839 /nfs/dbraw/zinc/28/78/39/630287839.db2.gz BKMMDGMMQIUJJW-SNVBAGLBSA-N 0 0 285.334 3.138 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cccc(OC)c1F ZINC000800506301 630290187 /nfs/dbraw/zinc/29/01/87/630290187.db2.gz RUMACGSIELARHW-UHFFFAOYSA-N 0 0 287.334 3.406 20 10 CGCDRN CCC(CC)(CCO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000800894919 630309940 /nfs/dbraw/zinc/30/99/40/630309940.db2.gz QRLIVYZFSZYJSL-UHFFFAOYSA-N 0 0 289.778 3.216 20 10 CGCDRN CCCCN(CC(=O)OCC(C)C)Cc1ccccc1O ZINC000801594481 630346819 /nfs/dbraw/zinc/34/68/19/630346819.db2.gz BXJMSSYQCLWNJL-UHFFFAOYSA-N 0 0 293.407 3.194 20 10 CGCDRN COc1cccc(O)c1CNc1ccc(OC(F)F)nc1 ZINC000801739951 630354063 /nfs/dbraw/zinc/35/40/63/630354063.db2.gz WIPQWKYDVUPWPZ-UHFFFAOYSA-N 0 0 296.273 3.009 20 10 CGCDRN CN(C)c1ccc2c(c1)OCCN2CCSC(C)(C)C ZINC000801936322 630370319 /nfs/dbraw/zinc/37/03/19/630370319.db2.gz SAJYBGIWTDLGKU-UHFFFAOYSA-N 0 0 294.464 3.483 20 10 CGCDRN C[C@H](C1CCCCC1)N(C)C(=O)C1=CC(=O)CS1 ZINC000802661115 630403996 /nfs/dbraw/zinc/40/39/96/630403996.db2.gz IPJLATTVBLENMD-SNVBAGLBSA-N 0 0 267.394 3.495 20 10 CGCDRN C[C@@H](NC(=O)C1CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000803121785 630449198 /nfs/dbraw/zinc/44/91/98/630449198.db2.gz SYDQYTSILDENSK-GFCCVEGCSA-N 0 0 274.408 3.366 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2ncc(SC)cn2)c1 ZINC000804431018 630526653 /nfs/dbraw/zinc/52/66/53/630526653.db2.gz IJGJOWUQGBLAKI-SECBINFHSA-N 0 0 291.376 3.086 20 10 CGCDRN CC[C@H]([NH2+]C1COC(C)(C)OC1)c1cccc(Cl)c1[O-] ZINC000806157050 630550645 /nfs/dbraw/zinc/55/06/45/630550645.db2.gz AQNPRBRCCGQQLJ-ZDUSSCGKSA-N 0 0 299.798 3.238 20 10 CGCDRN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1O ZINC000807886463 630604940 /nfs/dbraw/zinc/60/49/40/630604940.db2.gz RRIZWVLGZLTNAT-VXGBXAGGSA-N 0 0 291.391 3.385 20 10 CGCDRN Cn1c2ccc(OCc3ncccn3)cc2c2c1CCCC2 ZINC000842660520 635429221 /nfs/dbraw/zinc/42/92/21/635429221.db2.gz BMSSFAMOCCDCSR-UHFFFAOYSA-N 0 0 293.370 3.426 20 10 CGCDRN CN(C)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC000810000755 630826384 /nfs/dbraw/zinc/82/63/84/630826384.db2.gz LXFRTARUSABXJB-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)c1ccc(F)cc1[O-] ZINC000810244264 630857740 /nfs/dbraw/zinc/85/77/40/630857740.db2.gz BNCOQLRDHZMPNN-WFASDCNBSA-N 0 0 282.403 3.301 20 10 CGCDRN CC(C)CC1(C)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000811531766 631084802 /nfs/dbraw/zinc/08/48/02/631084802.db2.gz DHFNMXAHRDPVQZ-UHFFFAOYSA-N 0 0 291.391 3.386 20 10 CGCDRN CCCc1nsc(NCc2ccc(N(C)C)cc2C)n1 ZINC000812458589 631263530 /nfs/dbraw/zinc/26/35/30/631263530.db2.gz GVBGZLSAOSKZRR-UHFFFAOYSA-N 0 0 290.436 3.477 20 10 CGCDRN O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1O ZINC000812593753 631277474 /nfs/dbraw/zinc/27/74/74/631277474.db2.gz PZYJFQOGVREXNM-JSGCOSHPSA-N 0 0 284.311 3.058 20 10 CGCDRN Cc1cccc(O)c1CNc1cccc(N2CCCC2=O)c1 ZINC000876520658 634849859 /nfs/dbraw/zinc/84/98/59/634849859.db2.gz MZEGNNVVBAOQBJ-UHFFFAOYSA-N 0 0 296.370 3.440 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc[nH]c1C1CCC1 ZINC000813480436 631429414 /nfs/dbraw/zinc/42/94/14/631429414.db2.gz LURSVZMVSXTXHP-UHFFFAOYSA-N 0 0 284.359 3.260 20 10 CGCDRN COc1cc(-c2nc3c([nH]2)c(C)ccc3C)cc(O)c1O ZINC000814184778 631541715 /nfs/dbraw/zinc/54/17/15/631541715.db2.gz DXKGOPMOEOGZIG-UHFFFAOYSA-N 0 0 284.315 3.267 20 10 CGCDRN COc1ccccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000814284719 631567404 /nfs/dbraw/zinc/56/74/04/631567404.db2.gz JCBQPYDDBUQDAU-XYOKQWHBSA-N 0 0 291.397 3.059 20 10 CGCDRN COc1cccc(O)c1CNCc1c(F)cc(F)cc1F ZINC000815151197 631732047 /nfs/dbraw/zinc/73/20/47/631732047.db2.gz BNLXRDDHVCIHJT-UHFFFAOYSA-N 0 0 297.276 3.108 20 10 CGCDRN CN(C)c1ccc(CNC(=O)CC(C)(C)C2CC2)cc1F ZINC000815151010 631732059 /nfs/dbraw/zinc/73/20/59/631732059.db2.gz IRECWELWRHRZEU-UHFFFAOYSA-N 0 0 292.398 3.334 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C(C)(C)C(C)(C)C)c1 ZINC000815835307 631827480 /nfs/dbraw/zinc/82/74/80/631827480.db2.gz PCXZDKRBRRGBSZ-UHFFFAOYSA-N 0 0 279.380 3.089 20 10 CGCDRN CCOCC[N@H+](CC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816497611 631984795 /nfs/dbraw/zinc/98/47/95/631984795.db2.gz KHSOLLUSKXNDGL-UHFFFAOYSA-N 0 0 275.751 3.043 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCOC1 ZINC000816488364 631991539 /nfs/dbraw/zinc/99/15/39/631991539.db2.gz QZYDDYXWCQRNKR-SNVBAGLBSA-N 0 0 287.762 3.043 20 10 CGCDRN COc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816528446 632003834 /nfs/dbraw/zinc/00/38/34/632003834.db2.gz COLZJNNWFDFQPV-UHFFFAOYSA-N 0 0 295.741 3.483 20 10 CGCDRN CCCCN(C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549260 632008574 /nfs/dbraw/zinc/00/85/74/632008574.db2.gz IXHWHIHVIQPQCO-UHFFFAOYSA-N 0 0 288.794 3.006 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000816557579 632011516 /nfs/dbraw/zinc/01/15/16/632011516.db2.gz VLNJINCFJYIJEB-MRVPVSSYSA-N 0 0 279.689 3.462 20 10 CGCDRN C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816556163 632012015 /nfs/dbraw/zinc/01/20/15/632012015.db2.gz BMWDSVSFQISLPI-ZJUUUORDSA-N 0 0 287.762 3.089 20 10 CGCDRN C[C@@H]1CSCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816591845 632019883 /nfs/dbraw/zinc/01/98/83/632019883.db2.gz PMXCBSKHRMPDDM-VIFPVBQESA-N 0 0 289.803 3.370 20 10 CGCDRN CCOCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816639028 632028155 /nfs/dbraw/zinc/02/81/55/632028155.db2.gz FIDBCTHRSBBGBL-UHFFFAOYSA-N 0 0 275.751 3.089 20 10 CGCDRN C[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817571764 632184942 /nfs/dbraw/zinc/18/49/42/632184942.db2.gz TZCUWRCBJNHOAG-LLVKDONJSA-N 0 0 269.772 3.090 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000817968183 632261994 /nfs/dbraw/zinc/26/19/94/632261994.db2.gz HEIGYIBZZVSCBQ-BPNCWPANSA-N 0 0 282.815 3.084 20 10 CGCDRN Cc1ccccc1C(C)(C)NC(=O)c1cccc(O)c1O ZINC000818330342 632307645 /nfs/dbraw/zinc/30/76/45/632307645.db2.gz BICCDZHRSIHBEH-UHFFFAOYSA-N 0 0 285.343 3.071 20 10 CGCDRN CCOc1ccccc1NC[C@H](O)CCc1ccccc1 ZINC000819392757 632447651 /nfs/dbraw/zinc/44/76/51/632447651.db2.gz URWYZTXARVXZDU-MRXNPFEDSA-N 0 0 285.387 3.491 20 10 CGCDRN Cc1ccc(NC2CC2)c(C(=O)NCc2ccccc2O)c1 ZINC000821060881 632720346 /nfs/dbraw/zinc/72/03/46/632720346.db2.gz NHLVPEPSYZMEST-UHFFFAOYSA-N 0 0 296.370 3.205 20 10 CGCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCCSc1nccs1 ZINC000865783746 632889833 /nfs/dbraw/zinc/88/98/33/632889833.db2.gz SZHPNSIKQTVQEQ-GHMZBOCLSA-N 0 0 298.477 3.424 20 10 CGCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000865784983 632890001 /nfs/dbraw/zinc/89/00/01/632890001.db2.gz KYKWUIRMHPRVHY-KXNHARMFSA-N 0 0 296.461 3.034 20 10 CGCDRN CC1(C)CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822286282 632896400 /nfs/dbraw/zinc/89/64/00/632896400.db2.gz CEYPWPFIACBCKY-UHFFFAOYSA-N 0 0 288.351 3.015 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C(F)F)CCC1 ZINC000865904253 632944905 /nfs/dbraw/zinc/94/49/05/632944905.db2.gz LESGAZCNTYTXLA-UHFFFAOYSA-N 0 0 296.361 3.113 20 10 CGCDRN O=C(NCCC1CCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000120808023 632953988 /nfs/dbraw/zinc/95/39/88/632953988.db2.gz HDPLSIKXXPSKOU-UHFFFAOYSA-N 0 0 299.418 3.052 20 10 CGCDRN CCc1csc(Sc2ncc([N+](=O)[O-])s2)n1 ZINC000866111267 633003832 /nfs/dbraw/zinc/00/38/32/633003832.db2.gz AOWCPJRFYSVQEY-UHFFFAOYSA-N 0 0 273.364 3.221 20 10 CGCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822863992 633032785 /nfs/dbraw/zinc/03/27/85/633032785.db2.gz VRILBOOGKOQGNR-ZIAGYGMSSA-N 0 0 292.398 3.190 20 10 CGCDRN C[C@@H](Nc1nnc(C(F)(F)F)s1)c1ccccc1O ZINC000866238895 633039173 /nfs/dbraw/zinc/03/91/73/633039173.db2.gz QYWSCZIRCXEYEM-ZCFIWIBFSA-N 0 0 289.282 3.436 20 10 CGCDRN CC(C)(C)C(C)(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823139217 633064890 /nfs/dbraw/zinc/06/48/90/633064890.db2.gz NOPFTOFIVRYUFH-UHFFFAOYSA-N 0 0 290.367 3.404 20 10 CGCDRN CCC[C@@H](CCO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000866415495 633128302 /nfs/dbraw/zinc/12/83/02/633128302.db2.gz WOWXMMPLHSDAAF-JSGCOSHPSA-N 0 0 269.360 3.123 20 10 CGCDRN Fc1c(CNCc2ccc3c(c2)CCO3)ccnc1Cl ZINC000823752741 633149129 /nfs/dbraw/zinc/14/91/29/633149129.db2.gz MTHMHHVSDKEPCE-UHFFFAOYSA-N 0 0 292.741 3.099 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000866598612 633207076 /nfs/dbraw/zinc/20/70/76/633207076.db2.gz JUIZCEKQYQVICT-SLBVQIDZSA-N 0 0 287.403 3.423 20 10 CGCDRN COC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000824445902 633247210 /nfs/dbraw/zinc/24/72/10/633247210.db2.gz OFZKTNDOSANKLV-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN Cc1cccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000824620465 633265372 /nfs/dbraw/zinc/26/53/72/633265372.db2.gz QDEHXDIYHYPFGQ-HNNXBMFYSA-N 0 0 285.391 3.017 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCC3(C)C)ccc21 ZINC000824676637 633271354 /nfs/dbraw/zinc/27/13/54/633271354.db2.gz NWTLXQZTFBAFBK-HNNXBMFYSA-N 0 0 286.419 3.121 20 10 CGCDRN CCC(C)(C)CCS(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867834443 633271678 /nfs/dbraw/zinc/27/16/78/633271678.db2.gz IIGVGYXEFCOHGC-GFCCVEGCSA-N 0 0 299.436 3.199 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824715794 633277743 /nfs/dbraw/zinc/27/77/43/633277743.db2.gz NWIPOUMOOVIUAD-BPLDGKMQSA-N 0 0 295.810 3.171 20 10 CGCDRN C[C@@H](NC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1O ZINC000867968462 633282379 /nfs/dbraw/zinc/28/23/79/633282379.db2.gz DNMFVURYYLJMTH-BZPMIXESSA-N 0 0 276.380 3.331 20 10 CGCDRN CCC(CC)CNC(=O)N[C@H](C)c1ccccc1O ZINC000868220203 633306156 /nfs/dbraw/zinc/30/61/56/633306156.db2.gz 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/nfs/dbraw/zinc/35/22/45/633352245.db2.gz MHNUDHUFRZPKQQ-YRGRVCCFSA-N 0 0 276.380 3.187 20 10 CGCDRN O=C(Nc1ccnn1C1CCCC1)C1=CC(=O)CS1 ZINC000825412213 633352829 /nfs/dbraw/zinc/35/28/29/633352829.db2.gz GBXKTTFWYGBMPZ-UHFFFAOYSA-N 0 0 277.349 3.018 20 10 CGCDRN CC(C(=O)NCc1ccc(N(C)C)c(F)c1)=C1CCC1 ZINC000825510613 633359631 /nfs/dbraw/zinc/35/96/31/633359631.db2.gz DQBUMEXVBFJWRE-UHFFFAOYSA-N 0 0 276.355 3.008 20 10 CGCDRN CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825568326 633365564 /nfs/dbraw/zinc/36/55/64/633365564.db2.gz WOIGORZMKYHHDR-INIZCTEOSA-N 0 0 297.826 3.339 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccccc2O)c2c1CCC2 ZINC000825658602 633371223 /nfs/dbraw/zinc/37/12/23/633371223.db2.gz LCTWTPXQOFLYNO-UHFFFAOYSA-N 0 0 281.355 3.119 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cscn1 ZINC000826972708 633446381 /nfs/dbraw/zinc/44/63/81/633446381.db2.gz LFTQIUJAZBACBO-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@]1(C)CC=CCC1 ZINC000827081670 633455146 /nfs/dbraw/zinc/45/51/46/633455146.db2.gz PGWHPLMCKSHFQJ-MRXNPFEDSA-N 0 0 259.349 3.097 20 10 CGCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])O1 ZINC000827252168 633476365 /nfs/dbraw/zinc/47/63/65/633476365.db2.gz XVYILXVHFCHWLC-SKDRFNHKSA-N 0 0 287.762 3.232 20 10 CGCDRN CC1(C)CC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000827474914 633493266 /nfs/dbraw/zinc/49/32/66/633493266.db2.gz ONJKOHCTYCLICI-SNVBAGLBSA-N 0 0 284.450 3.178 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCOc3ccc(O)cc3C2)cc1C ZINC000827655744 633508295 /nfs/dbraw/zinc/50/82/95/633508295.db2.gz BXIOWXKTOWVOBZ-UHFFFAOYSA-N 0 0 299.370 3.109 20 10 CGCDRN Cc1cccc(CNCC(F)(F)C(C)(C)C)c1O ZINC000827722274 633512572 /nfs/dbraw/zinc/51/25/72/633512572.db2.gz DZABBCCKTIBIHL-UHFFFAOYSA-N 0 0 257.324 3.472 20 10 CGCDRN CCN(CC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827930423 633535222 /nfs/dbraw/zinc/53/52/22/633535222.db2.gz JXNILBIWKWQIMW-CQSZACIVSA-N 0 0 298.386 3.096 20 10 CGCDRN CCO[C@H](C(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827930967 633535266 /nfs/dbraw/zinc/53/52/66/633535266.db2.gz XFDLRDJTPQPQIY-DYVFJYSZSA-N 0 0 299.370 3.347 20 10 CGCDRN COc1cccc([C@H](C)C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827931091 633536171 /nfs/dbraw/zinc/53/61/71/633536171.db2.gz XRNZZAWENMZAMM-QWHCGFSZSA-N 0 0 299.370 3.382 20 10 CGCDRN C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)c1ccccc1O ZINC000827937020 633536852 /nfs/dbraw/zinc/53/68/52/633536852.db2.gz IMKPUZALGCQYCN-UONOGXRCSA-N 0 0 283.371 3.448 20 10 CGCDRN C[C@@H](NC(=O)c1ccn(C2CCCC2)n1)c1ccccc1O ZINC000827937494 633537609 /nfs/dbraw/zinc/53/76/09/633537609.db2.gz YEKSJZIUQFXJDC-GFCCVEGCSA-N 0 0 299.374 3.195 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000827946315 633538306 /nfs/dbraw/zinc/53/83/06/633538306.db2.gz DHCSYVXWQPBIHI-GHMZBOCLSA-N 0 0 283.318 3.395 20 10 CGCDRN C/C=C(/C=C/C(=O)N[C@H](C)c1ccccc1O)CC ZINC000827941625 633538343 /nfs/dbraw/zinc/53/83/43/633538343.db2.gz UBFSWXBEGMQHGW-ZAFIZNPSSA-N 0 0 259.349 3.482 20 10 CGCDRN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827941526 633538346 /nfs/dbraw/zinc/53/83/46/633538346.db2.gz SYXNJRLDBULXCX-SNVBAGLBSA-N 0 0 287.363 3.038 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CC12CCSCC2)c1ccccc1O ZINC000827952198 633538816 /nfs/dbraw/zinc/53/88/16/633538816.db2.gz JHXRNXOTHVCHFT-YPMHNXCESA-N 0 0 291.416 3.103 20 10 CGCDRN C[C@@H](NC(=O)c1[nH]ccc1C1CC1)c1ccccc1O ZINC000827952214 633539192 /nfs/dbraw/zinc/53/91/92/633539192.db2.gz JYGIIYWHRRILNL-SNVBAGLBSA-N 0 0 270.332 3.089 20 10 CGCDRN C[C@H](Cc1ccco1)C(=O)N[C@H](C)c1ccccc1O ZINC000827957591 633540527 /nfs/dbraw/zinc/54/05/27/633540527.db2.gz WDSNVVYPVQKMQP-VXGBXAGGSA-N 0 0 273.332 3.041 20 10 CGCDRN C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)c1ccccc1O ZINC000827957371 633540551 /nfs/dbraw/zinc/54/05/51/633540551.db2.gz VTBHYMXQBVNWBU-SSDOTTSWSA-N 0 0 297.223 3.157 20 10 CGCDRN C[C@H](NC(=O)/C=C\C1CCCC1)c1ccccc1O ZINC000827960875 633541028 /nfs/dbraw/zinc/54/10/28/633541028.db2.gz YFBAEQGPPZJJBA-WEHUKYGOSA-N 0 0 259.349 3.316 20 10 CGCDRN C[C@H](NC(=O)[C@@]1(C)CCC[C@H]1C)c1ccccc1O ZINC000827964774 633541822 /nfs/dbraw/zinc/54/18/22/633541822.db2.gz USVYQMMIIZLSLO-WQGACYEGSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@@]1(C)CCC[C@@H]1C)c1ccccc1O ZINC000827964772 633542129 /nfs/dbraw/zinc/54/21/29/633542129.db2.gz USVYQMMIIZLSLO-MKBNYLNASA-N 0 0 261.365 3.396 20 10 CGCDRN CCOCCC1(C(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000827973154 633542655 /nfs/dbraw/zinc/54/26/55/633542655.db2.gz JDRYGZUZRGBOIB-ZDUSSCGKSA-N 0 0 291.391 3.166 20 10 CGCDRN C[C@H](NC(=O)C12CC(C(F)(F)F)(C1)C2)c1ccccc1O ZINC000827969869 633542692 /nfs/dbraw/zinc/54/26/92/633542692.db2.gz TYHUPIVZFPCTMG-SQNUNTJVSA-N 0 0 299.292 3.302 20 10 CGCDRN CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827973748 633543459 /nfs/dbraw/zinc/54/34/59/633543459.db2.gz XNNAZPYBZCSSGH-OLZOCXBDSA-N 0 0 291.391 3.355 20 10 CGCDRN Cc1oc(C)c(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000827981674 633544279 /nfs/dbraw/zinc/54/42/79/633544279.db2.gz DFBCUCUCQUFXEC-JTQLQIEISA-N 0 0 273.332 3.401 20 10 CGCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC000827985397 633545167 /nfs/dbraw/zinc/54/51/67/633545167.db2.gz JMOCLTFFIOBNIK-AWEZNQCLSA-N 0 0 283.371 3.429 20 10 CGCDRN CC(C)[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000828539586 633626650 /nfs/dbraw/zinc/62/66/50/633626650.db2.gz QXNWMZQTJSNINR-ZENOOKHLSA-N 0 0 291.391 3.021 20 10 CGCDRN CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)CC(C)(C)C1 ZINC000828655590 633640513 /nfs/dbraw/zinc/64/05/13/633640513.db2.gz FFVZKGNKSSLWJK-UHFFFAOYSA-N 0 0 295.354 3.135 20 10 CGCDRN CC1(C)CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205258 633725298 /nfs/dbraw/zinc/72/52/98/633725298.db2.gz XRHLCZHOPJHFRR-CQSZACIVSA-N 0 0 273.376 3.451 20 10 CGCDRN CC[C@@H](CC(F)(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206170 633726053 /nfs/dbraw/zinc/72/60/53/633726053.db2.gz UUEXCQZGPKPUHD-VIFPVBQESA-N 0 0 287.281 3.213 20 10 CGCDRN O=C([C@@H]1C[C@H]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871206153 633726783 /nfs/dbraw/zinc/72/67/83/633726783.db2.gz UATNZVZOHMSGKB-UONOGXRCSA-N 0 0 271.360 3.061 20 10 CGCDRN O=C(c1ccc(C2CC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871206301 633726872 /nfs/dbraw/zinc/72/68/72/633726872.db2.gz ZBYYGOHVSYJTGZ-UHFFFAOYSA-N 0 0 279.339 3.426 20 10 CGCDRN CCc1ccc(CSc2ncc(C(=O)OC)s2)nc1 ZINC000829677846 633764812 /nfs/dbraw/zinc/76/48/12/633764812.db2.gz OGXCZQUACVOEBT-UHFFFAOYSA-N 0 0 294.401 3.179 20 10 CGCDRN COC(=O)c1cnc(SCc2ncc(C(C)C)o2)s1 ZINC000829681281 633766271 /nfs/dbraw/zinc/76/62/71/633766271.db2.gz SPWXLSQSGPFPRM-UHFFFAOYSA-N 0 0 298.389 3.333 20 10 CGCDRN COC(=O)c1cnc(S[C@H](C)c2ccncc2)s1 ZINC000829680991 633766724 /nfs/dbraw/zinc/76/67/24/633766724.db2.gz KFIKOZUOEMSJMR-MRVPVSSYSA-N 0 0 280.374 3.178 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1occc1C ZINC000830140711 633831656 /nfs/dbraw/zinc/83/16/56/633831656.db2.gz GWXKKSOAGLOIOU-UHFFFAOYSA-N 0 0 287.359 3.275 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H](C(=O)[O-])[C@@H](C)CC)cc1C ZINC000871877201 633906841 /nfs/dbraw/zinc/90/68/41/633906841.db2.gz AWYQRFPNVQNPEC-LRDDRELGSA-N 0 0 293.407 3.373 20 10 CGCDRN CC1(C)C[C@@H](NC(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC000831417041 633956624 /nfs/dbraw/zinc/95/66/24/633956624.db2.gz QHZJSZAJBQCRJC-QGZVFWFLSA-N 0 0 294.398 3.350 20 10 CGCDRN COc1ccc(N(CCC[C@@H](C)O)CC2CC2)cc1 ZINC000831588353 633980018 /nfs/dbraw/zinc/98/00/18/633980018.db2.gz XOEOPSQFQFNGNB-CYBMUJFWSA-N 0 0 263.381 3.073 20 10 CGCDRN COc1ccc(N(Cc2cnc(C)cn2)CC2CC2)cc1 ZINC000831587490 633980403 /nfs/dbraw/zinc/98/04/03/633980403.db2.gz BLYMOXJWORZGBH-UHFFFAOYSA-N 0 0 283.375 3.210 20 10 CGCDRN CCCCOc1ccccc1NC[C@@H](O)COC(C)C ZINC000872210607 634083593 /nfs/dbraw/zinc/08/35/93/634083593.db2.gz FYLGPHJKTJLYTJ-CQSZACIVSA-N 0 0 281.396 3.063 20 10 CGCDRN Cn1ncc(N[C@H]2CCc3cccc(O)c32)c1C1CC1 ZINC000834769160 634239133 /nfs/dbraw/zinc/23/91/33/634239133.db2.gz INBPMDQBBGHQKM-LBPRGKRZSA-N 0 0 269.348 3.103 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873156264 634264116 /nfs/dbraw/zinc/26/41/16/634264116.db2.gz KDXRGXWJPBMMMD-BFVZDQMLSA-N 0 0 299.773 3.232 20 10 CGCDRN CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(F)cc1[O-] ZINC000834886923 634267970 /nfs/dbraw/zinc/26/79/70/634267970.db2.gz WKHYXTTYPJTHIL-CQSZACIVSA-N 0 0 299.361 3.338 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccc(F)cc1[O-] ZINC000834886143 634267988 /nfs/dbraw/zinc/26/79/88/634267988.db2.gz IVOJCSBVDPEMKT-UMVBOHGHSA-N 0 0 267.344 3.140 20 10 CGCDRN CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834894585 634272403 /nfs/dbraw/zinc/27/24/03/634272403.db2.gz LLYIEAGRPVGMNN-NXEZZACHSA-N 0 0 295.333 3.299 20 10 CGCDRN CCCc1ncc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000834898506 634275559 /nfs/dbraw/zinc/27/55/59/634275559.db2.gz FKPMKSOUTDSNLA-VIFPVBQESA-N 0 0 296.317 3.462 20 10 CGCDRN CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000834903064 634280230 /nfs/dbraw/zinc/28/02/30/634280230.db2.gz HWCJZIDXVAZISD-HHBKUABFSA-N 0 0 293.382 3.483 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(F)cc1[O-] ZINC000834914490 634286417 /nfs/dbraw/zinc/28/64/17/634286417.db2.gz FUGURGVMLUHWRW-QKCSRTOESA-N 0 0 267.344 3.140 20 10 CGCDRN Cc1nc(CNC/C=C\c2ccc(N(C)C)cc2)cs1 ZINC000835036858 634328522 /nfs/dbraw/zinc/32/85/22/634328522.db2.gz RLGAMPPCELCQIC-PLNGDYQASA-N 0 0 287.432 3.321 20 10 CGCDRN Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000837303009 634881968 /nfs/dbraw/zinc/88/19/68/634881968.db2.gz QHGUNKUCJUBZPL-UHFFFAOYSA-N 0 0 298.361 3.146 20 10 CGCDRN [O-]c1c(C[NH2+]CCCc2ccc(O)cc2)ccc(F)c1F ZINC000877035226 634958365 /nfs/dbraw/zinc/95/83/65/634958365.db2.gz FDBNWEYVFJTAGP-UHFFFAOYSA-N 0 0 293.313 3.098 20 10 CGCDRN Cc1cc([C@H](C)NC(=O)c2cccc(O)c2O)c(C)s1 ZINC000126311195 634959362 /nfs/dbraw/zinc/95/93/62/634959362.db2.gz XPDATOZAMHCQNO-VIFPVBQESA-N 0 0 291.372 3.267 20 10 CGCDRN CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccc(N)cc1 ZINC000877076487 634974306 /nfs/dbraw/zinc/97/43/06/634974306.db2.gz QPBKYFJOICSYAD-SMDDNHRTSA-N 0 0 260.381 3.304 20 10 CGCDRN CC(C)=C[C@@H]1[C@@H](C(=O)N(C)c2ccc(N)cc2)C1(C)C ZINC000877080439 634977104 /nfs/dbraw/zinc/97/71/04/634977104.db2.gz IWOLDIVTYMEURK-CABCVRRESA-N 0 0 272.392 3.470 20 10 CGCDRN CC1(C)C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C(C)(C)O1 ZINC000877164923 635005005 /nfs/dbraw/zinc/00/50/05/635005005.db2.gz GQAOZEXRQNTKCN-NSHDSACASA-N 0 0 285.334 3.106 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1=CCCC1 ZINC000840554483 635021638 /nfs/dbraw/zinc/02/16/38/635021638.db2.gz BQRUDUKVVJDDDM-AWEZNQCLSA-N 0 0 286.419 3.219 20 10 CGCDRN C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877317282 635024090 /nfs/dbraw/zinc/02/40/90/635024090.db2.gz IBPVCPCXGCUOLJ-JTQLQIEISA-N 0 0 278.302 3.258 20 10 CGCDRN CC(=O)N1CCc2c1cccc2NCc1c(C)cccc1O ZINC000877397617 635034820 /nfs/dbraw/zinc/03/48/20/635034820.db2.gz JJXJXFIAXCQHRZ-UHFFFAOYSA-N 0 0 296.370 3.222 20 10 CGCDRN Cc1ccc([C@H](C)NCc2nnc(C3CC3)s2)c(O)c1 ZINC000840891682 635076505 /nfs/dbraw/zinc/07/65/05/635076505.db2.gz SNPVVPQDIAPPHU-JTQLQIEISA-N 0 0 289.404 3.280 20 10 CGCDRN Cc1ccc(CN[C@H](C2CC2)C(F)(F)F)c(O)c1 ZINC000877534487 635076684 /nfs/dbraw/zinc/07/66/84/635076684.db2.gz AZWZDWCIWKPLJG-GFCCVEGCSA-N 0 0 259.271 3.131 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)ccc(F)c1F ZINC000877538739 635078801 /nfs/dbraw/zinc/07/88/01/635078801.db2.gz DDMMWINXSBBZTI-OAHLLOKOSA-N 0 0 279.330 3.435 20 10 CGCDRN Cc1cc(O)c(CN(C)Cc2ccc[nH]2)c(Cl)c1 ZINC000840919219 635083220 /nfs/dbraw/zinc/08/32/20/635083220.db2.gz YIGXLSKBIZOERI-UHFFFAOYSA-N 0 0 264.756 3.314 20 10 CGCDRN CCc1ncc(CN(C)c2ccc(OC)c(Cl)c2)cn1 ZINC000840936148 635085636 /nfs/dbraw/zinc/08/56/36/635085636.db2.gz FJNFKAQKEMLNBK-UHFFFAOYSA-N 0 0 291.782 3.337 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)C(C)C ZINC000840968277 635096366 /nfs/dbraw/zinc/09/63/66/635096366.db2.gz PYTUAFRSHICSHB-TZMCWYRMSA-N 0 0 289.778 3.070 20 10 CGCDRN CCCN(Cc1cccc(C(=O)[O-])c1)c1ccc(C[NH3+])cc1 ZINC000840994740 635100231 /nfs/dbraw/zinc/10/02/31/635100231.db2.gz ZTPQAUWOOHLDSY-UHFFFAOYSA-N 0 0 298.386 3.260 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCCO1 ZINC000877618816 635115670 /nfs/dbraw/zinc/11/56/70/635115670.db2.gz GIPQGTQHNXTEAP-STQMWFEESA-N 0 0 285.334 3.108 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CCC3(CCCC3)O2)ccc(F)c1F ZINC000877620795 635116894 /nfs/dbraw/zinc/11/68/94/635116894.db2.gz JGFFZXBNXZKKBR-GFCCVEGCSA-N 0 0 297.345 3.252 20 10 CGCDRN Nc1ccc(NC(=O)NC2CCC(C(F)F)CC2)cc1 ZINC000841297256 635148224 /nfs/dbraw/zinc/14/82/24/635148224.db2.gz DCMLQIBBPOWELK-UHFFFAOYSA-N 0 0 283.322 3.214 20 10 CGCDRN CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300375 635149812 /nfs/dbraw/zinc/14/98/12/635149812.db2.gz WDQUYFUMZNPKRY-RYUDHWBXSA-N 0 0 261.369 3.217 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877739384 635173176 /nfs/dbraw/zinc/17/31/76/635173176.db2.gz SBEOAAUJJGPGMU-NEPJUHHUSA-N 0 0 283.824 3.231 20 10 CGCDRN Cc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cs1 ZINC000841494950 635186751 /nfs/dbraw/zinc/18/67/51/635186751.db2.gz GEMQCZDNIVBVQA-YHYXMXQVSA-N 0 0 281.427 3.420 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841747948 635224156 /nfs/dbraw/zinc/22/41/56/635224156.db2.gz FSGMJMXXIOEKEL-JFGNBEQYSA-N 0 0 269.772 3.264 20 10 CGCDRN CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758267 635231383 /nfs/dbraw/zinc/23/13/83/635231383.db2.gz KXTZSAMLIQZVJM-GHMZBOCLSA-N 0 0 271.788 3.105 20 10 CGCDRN CCC[C@@H](C)C[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841802971 635236843 /nfs/dbraw/zinc/23/68/43/635236843.db2.gz NTNNSHHADLRURA-DOMZBBRYSA-N 0 0 293.407 3.373 20 10 CGCDRN COc1ccc(C[NH2+][C@@H]2CCCC[C@@]2(C)C(=O)[O-])cc1C ZINC000841802820 635236914 /nfs/dbraw/zinc/23/69/14/635236914.db2.gz ASQOPUIETBMLLY-NVXWUHKLSA-N 0 0 291.391 3.127 20 10 CGCDRN Cc1cc(CN(C)c2ccc(OC(C)C)cc2)n(C)n1 ZINC000841877526 635246022 /nfs/dbraw/zinc/24/60/22/635246022.db2.gz JIFYBRMQGDIHOD-UHFFFAOYSA-N 0 0 273.380 3.152 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1COCc2ccccc21 ZINC000841891918 635248766 /nfs/dbraw/zinc/24/87/66/635248766.db2.gz WJBKCJGNXOEYAH-HNNXBMFYSA-N 0 0 289.762 3.407 20 10 CGCDRN CCCCC(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842882797 635503944 /nfs/dbraw/zinc/50/39/44/635503944.db2.gz ZAGASCGESJHVJI-CQSZACIVSA-N 0 0 291.391 3.255 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000842928965 635514217 /nfs/dbraw/zinc/51/42/17/635514217.db2.gz LCZFFCBVSIBIMD-KWBADKCTSA-N 0 0 269.772 3.264 20 10 CGCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC000878565648 635558296 /nfs/dbraw/zinc/55/82/96/635558296.db2.gz NFTFLMNOUUXWSQ-LSDHHAIUSA-N 0 0 277.408 3.419 20 10 CGCDRN CCc1cnc(NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000878825923 635638145 /nfs/dbraw/zinc/63/81/45/635638145.db2.gz HJMLUFIQURODMX-SECBINFHSA-N 0 0 291.376 3.294 20 10 CGCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000843434927 635674572 /nfs/dbraw/zinc/67/45/72/635674572.db2.gz OJGLSAODHRPJQL-CPCISQLKSA-N 0 0 275.776 3.168 20 10 CGCDRN CC[C@](C)(NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000843433981 635674076 /nfs/dbraw/zinc/67/40/76/635674076.db2.gz GFOMIMIEIWSYMG-SFHVURJKSA-N 0 0 282.387 3.253 20 10 CGCDRN CC[C@@](C)(NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000843433980 635674794 /nfs/dbraw/zinc/67/47/94/635674794.db2.gz GFOMIMIEIWSYMG-GOSISDBHSA-N 0 0 282.387 3.253 20 10 CGCDRN CCOc1ccc(N(CC)Cc2snnc2C)cc1 ZINC000844305574 635864932 /nfs/dbraw/zinc/86/49/32/635864932.db2.gz QJECYVFGKGUSBV-UHFFFAOYSA-N 0 0 277.393 3.272 20 10 CGCDRN COc1ccc(N(C)CC2CCC3(CC2)OCCO3)cc1 ZINC000844352758 635877632 /nfs/dbraw/zinc/87/76/32/635877632.db2.gz GMNSSBXYGVIVTG-UHFFFAOYSA-N 0 0 291.391 3.065 20 10 CGCDRN c1c(COc2ccc(N3CCCC3)cc2)nn2c1CCCC2 ZINC000844765455 635960119 /nfs/dbraw/zinc/96/01/19/635960119.db2.gz XDKPZQHCRWDTKO-UHFFFAOYSA-N 0 0 297.402 3.399 20 10 CGCDRN COC[C@H](C)Cc1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000844879595 635978064 /nfs/dbraw/zinc/97/80/64/635978064.db2.gz ISRJPVYXIZGIKE-CYBMUJFWSA-N 0 0 297.358 3.352 20 10 CGCDRN O=C(NCCC1CCC1)NCc1cc(Cl)ccc1O ZINC000845032459 636000738 /nfs/dbraw/zinc/00/07/38/636000738.db2.gz PCWQPQNIZGOOBH-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000128675113 636055519 /nfs/dbraw/zinc/05/55/19/636055519.db2.gz QETSJYWBFURHGZ-AWEZNQCLSA-N 0 0 289.423 3.003 20 10 CGCDRN Nc1ccc(OCc2cn(CC34CCC(CC3)C4)nn2)cc1 ZINC000881322966 636099019 /nfs/dbraw/zinc/09/90/19/636099019.db2.gz VHOUATMDZXPPRD-UHFFFAOYSA-N 0 0 298.390 3.020 20 10 CGCDRN CCC[C@H](C)[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000846013257 636129077 /nfs/dbraw/zinc/12/90/77/636129077.db2.gz JAOGXMKJBCPODJ-CABZTGNLSA-N 0 0 289.778 3.071 20 10 CGCDRN COCc1ccnc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000846213380 636160222 /nfs/dbraw/zinc/16/02/22/636160222.db2.gz RUAVLKJXWWNNEU-GFCCVEGCSA-N 0 0 272.348 3.415 20 10 CGCDRN CCN(C)c1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000846275549 636170442 /nfs/dbraw/zinc/17/04/42/636170442.db2.gz UCUYADYIFWMFKS-INIZCTEOSA-N 0 0 292.423 3.074 20 10 CGCDRN CC[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472610 636187217 /nfs/dbraw/zinc/18/72/17/636187217.db2.gz BRTGHTQMSKAXKB-SECBINFHSA-N 0 0 255.745 3.098 20 10 CGCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)n1cccc1 ZINC000846473211 636187318 /nfs/dbraw/zinc/18/73/18/636187318.db2.gz RJCQFGLWVVFLSM-LLVKDONJSA-N 0 0 292.766 3.115 20 10 CGCDRN CC[C@H](C)CCC(=O)NCc1cc(Cl)ccc1O ZINC000846475736 636189159 /nfs/dbraw/zinc/18/91/59/636189159.db2.gz HCQCRSWGKRJBHT-JTQLQIEISA-N 0 0 269.772 3.488 20 10 CGCDRN CCCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846478338 636189623 /nfs/dbraw/zinc/18/96/23/636189623.db2.gz BWAFJKLAAIGHHO-UHFFFAOYSA-N 0 0 255.745 3.242 20 10 CGCDRN CN(C)c1ccc(CNc2cc(C3CC3)ncn2)cc1 ZINC000881773639 636197918 /nfs/dbraw/zinc/19/79/18/636197918.db2.gz CJHMIFZQECZVTN-UHFFFAOYSA-N 0 0 268.364 3.032 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000882986217 636490656 /nfs/dbraw/zinc/49/06/56/636490656.db2.gz MKGLKYHWBMUUEK-AWEZNQCLSA-N 0 0 291.297 3.153 20 10 CGCDRN COc1cc(C)ccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883039327 636517904 /nfs/dbraw/zinc/51/79/04/636517904.db2.gz KUFUXRCGVSZKIG-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883081301 636532380 /nfs/dbraw/zinc/53/23/80/636532380.db2.gz AMFZIUKACMCGNB-SNVBAGLBSA-N 0 0 278.302 3.225 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000883087807 636536885 /nfs/dbraw/zinc/53/68/85/636536885.db2.gz JNIZFSRYRNXPSN-CYBMUJFWSA-N 0 0 285.334 3.109 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCC(C)(C)C)c1 ZINC000131088737 636555223 /nfs/dbraw/zinc/55/52/23/636555223.db2.gz IZOYANVUYGBYIK-NSHDSACASA-N 0 0 279.380 3.404 20 10 CGCDRN CCc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000848911197 636686629 /nfs/dbraw/zinc/68/66/29/636686629.db2.gz RKEKVKBTMHOFKR-YOEHRIQHSA-N 0 0 291.435 3.470 20 10 CGCDRN C=C/C=C/CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000883581645 636796311 /nfs/dbraw/zinc/79/63/11/636796311.db2.gz BPUMLDLBBVADFI-PSKZRQQASA-N 0 0 287.407 3.245 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)ccc2O)cc1 ZINC000133059380 636869187 /nfs/dbraw/zinc/86/91/87/636869187.db2.gz NQVXRVUOEDREGI-UHFFFAOYSA-N 0 0 257.333 3.346 20 10 CGCDRN Cc1nnsc1CSc1ncc(Cl)s1 ZINC000850000508 636925208 /nfs/dbraw/zinc/92/52/08/636925208.db2.gz XIFZXVFWASHKIQ-UHFFFAOYSA-N 0 0 263.800 3.249 20 10 CGCDRN COc1ncc(CSc2ncc(Cl)s2)c(C)n1 ZINC000849999986 636925271 /nfs/dbraw/zinc/92/52/71/636925271.db2.gz FTFODSWMCMHGBU-UHFFFAOYSA-N 0 0 287.797 3.196 20 10 CGCDRN CCn1nc(C)c(CSc2ncc(Cl)s2)n1 ZINC000850001907 636925758 /nfs/dbraw/zinc/92/57/58/636925758.db2.gz OQYIRHTYLZWBTA-UHFFFAOYSA-N 0 0 274.802 3.009 20 10 CGCDRN CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134900425 637048488 /nfs/dbraw/zinc/04/84/88/637048488.db2.gz JHLZXPDIENZTHB-SSDOTTSWSA-N 0 0 276.149 3.354 20 10 CGCDRN C[C@H]([NH2+]CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000134912256 637050087 /nfs/dbraw/zinc/05/00/87/637050087.db2.gz QOLLMTJJQVABJE-ZETCQYMHSA-N 0 0 288.160 3.354 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(Cl)c1[O-] ZINC000850516091 637099056 /nfs/dbraw/zinc/09/90/56/637099056.db2.gz SIYCLEJTDOJVOD-GWCFXTLKSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc(N)cc2)C1 ZINC000109670102 637207215 /nfs/dbraw/zinc/20/72/15/637207215.db2.gz BMRYXXLOBOPJNP-CYBMUJFWSA-N 0 0 280.371 3.037 20 10 CGCDRN CCOc1ccc(N(CC)Cc2coc(C)n2)cc1 ZINC000851829595 637516873 /nfs/dbraw/zinc/51/68/73/637516873.db2.gz IXVQQOSBTNEYSH-UHFFFAOYSA-N 0 0 260.337 3.408 20 10 CGCDRN CCc1nc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)cs1 ZINC000886521290 637552023 /nfs/dbraw/zinc/55/20/23/637552023.db2.gz YCCKQVDAWKZBAR-JTQLQIEISA-N 0 0 294.395 3.444 20 10 CGCDRN C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1c([O-])cccc1F ZINC000886531169 637555905 /nfs/dbraw/zinc/55/59/05/637555905.db2.gz XLLPNBOKPVRJIB-BMIGLBTASA-N 0 0 295.379 3.151 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886587745 637593504 /nfs/dbraw/zinc/59/35/04/637593504.db2.gz DYSFFVSWAZUJDC-AGIUHOORSA-N 0 0 281.371 3.387 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCCS1)c1c([O-])cccc1F ZINC000886587562 637593603 /nfs/dbraw/zinc/59/36/03/637593603.db2.gz BCFCSHPTYSRRPO-WDEREUQCSA-N 0 0 269.385 3.468 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1c([O-])cccc1F ZINC000886594247 637596353 /nfs/dbraw/zinc/59/63/53/637596353.db2.gz ISUOQAWRMUVCRN-MNOVXSKESA-N 0 0 267.344 3.140 20 10 CGCDRN CSc1ccccc1C(=O)Nc1ccc(N)cc1 ZINC000110408727 637601705 /nfs/dbraw/zinc/60/17/05/637601705.db2.gz YULPOUGAZHONGJ-UHFFFAOYSA-N 0 0 258.346 3.243 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1c([O-])cccc1F ZINC000886638562 637622895 /nfs/dbraw/zinc/62/28/95/637622895.db2.gz WZXSCVSAYKSIMB-UTUOFQBUSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1c([O-])cccc1F ZINC000886638656 637623185 /nfs/dbraw/zinc/62/31/85/637623185.db2.gz ZCQDSOOZWGLBAM-KWQFWETISA-N 0 0 273.298 3.473 20 10 CGCDRN COc1cc(N[C@@H](C)c2c(O)cccc2F)cnc1OC ZINC000886641763 637624177 /nfs/dbraw/zinc/62/41/77/637624177.db2.gz RIARERWVPQTINO-VIFPVBQESA-N 0 0 292.310 3.117 20 10 CGCDRN C[C@@H]([NH2+]CCC1SCCS1)c1c([O-])cccc1F ZINC000886639589 637625023 /nfs/dbraw/zinc/62/50/23/637625023.db2.gz GTUDBYLOWRPNKW-SECBINFHSA-N 0 0 287.425 3.378 20 10 CGCDRN C[C@@H](NCc1ncc(Cl)s1)c1c(O)cccc1F ZINC000886650577 637629287 /nfs/dbraw/zinc/62/92/87/637629287.db2.gz ZCCXBZWKUIJCQF-SSDOTTSWSA-N 0 0 286.759 3.492 20 10 CGCDRN C[C@H]([NH2+]C1CCC2(COC2)CC1)c1c([O-])cccc1F ZINC000886651665 637631797 /nfs/dbraw/zinc/63/17/97/637631797.db2.gz NSURLTKJBXLDTQ-NSHDSACASA-N 0 0 279.355 3.141 20 10 CGCDRN Cc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)ccc1N(C)C ZINC000852324130 637634461 /nfs/dbraw/zinc/63/44/61/637634461.db2.gz HKKPMNSMUSFMEU-GOSISDBHSA-N 0 0 288.435 3.062 20 10 CGCDRN CCN(C)c1ccc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cc1 ZINC000852444055 637653038 /nfs/dbraw/zinc/65/30/38/637653038.db2.gz NONSSGMHBDODKH-HNNXBMFYSA-N 0 0 288.435 3.286 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1c([O-])cccc1F ZINC000886720319 637672519 /nfs/dbraw/zinc/67/25/19/637672519.db2.gz ZTABLBBFFNXIFA-VXGBXAGGSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(C)cc1O ZINC000886801880 637697661 /nfs/dbraw/zinc/69/76/61/637697661.db2.gz UQASAVSPNNSRHW-DGCLKSJQSA-N 0 0 291.313 3.055 20 10 CGCDRN CC[C@@H](C)N(CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000853244582 637792513 /nfs/dbraw/zinc/79/25/13/637792513.db2.gz OMUZKGCZBOXOLR-CYBMUJFWSA-N 0 0 277.412 3.083 20 10 CGCDRN CCCCN(Cc1ccccc1O)c1cc(F)ncn1 ZINC000853576354 637869389 /nfs/dbraw/zinc/86/93/89/637869389.db2.gz BBZYEQLGQHIDBN-UHFFFAOYSA-N 0 0 275.327 3.128 20 10 CGCDRN Cc1cc(C)c2c(c1)N(C(=O)C1=CC(=O)CS1)CCO2 ZINC000855024206 638135158 /nfs/dbraw/zinc/13/51/58/638135158.db2.gz HZHBZRKTVLUQIG-UHFFFAOYSA-N 0 0 289.356 3.110 20 10 CGCDRN CC(C)CCc1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000855190747 638155991 /nfs/dbraw/zinc/15/59/91/638155991.db2.gz LPAIMDZLFULQJG-UHFFFAOYSA-N 0 0 297.405 3.146 20 10 CGCDRN Cc1ccc(CCNC(=O)C2=CC(=O)CS2)cc1C ZINC000855615906 638225542 /nfs/dbraw/zinc/22/55/42/638225542.db2.gz XTGDOCARHPCJES-UHFFFAOYSA-N 0 0 275.373 3.043 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1CC1CCC1 ZINC000856271727 638331225 /nfs/dbraw/zinc/33/12/25/638331225.db2.gz LQJNDGSGVADRTA-CYBMUJFWSA-N 0 0 289.375 3.283 20 10 CGCDRN Cc1cc(C(=O)N2CC3CC2(C)C3)c(C)n1-c1ccccn1 ZINC000856510429 638370003 /nfs/dbraw/zinc/37/00/03/638370003.db2.gz UKWGFYZBILZOCJ-UHFFFAOYSA-N 0 0 295.386 3.114 20 10 CGCDRN Oc1ccc(Br)cc1C[NH+]1CCCCC1 ZINC000034145205 638501446 /nfs/dbraw/zinc/50/14/46/638501446.db2.gz AFJPNAAPYCCFNG-UHFFFAOYSA-N 0 0 270.170 3.141 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)CCC(C)C)c1ccc(F)cc1[O-] ZINC000858485965 638737947 /nfs/dbraw/zinc/73/79/47/638737947.db2.gz QWDKLCVGNYBMBS-ZFWWWQNUSA-N 0 0 283.387 3.369 20 10 CGCDRN Cc1ccc([C@H](C)Nc2cnn(CCF)c2)c(O)c1 ZINC000858492531 638742230 /nfs/dbraw/zinc/74/22/30/638742230.db2.gz YPXUQNWSAXUXPU-NSHDSACASA-N 0 0 263.316 3.040 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858536927 638757528 /nfs/dbraw/zinc/75/75/28/638757528.db2.gz LAKUFFAHIYXJJM-OVZMXSCWSA-N 0 0 290.363 3.387 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)nnc2C)cc1Cl ZINC000929829572 638955049 /nfs/dbraw/zinc/95/50/49/638955049.db2.gz SIXYRLAPHPIRIC-UHFFFAOYSA-N 0 0 291.782 3.392 20 10 CGCDRN Cc1nc(C)c(NC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000930292525 638988738 /nfs/dbraw/zinc/98/87/38/638988738.db2.gz SHKJARGSFSHFKJ-UHFFFAOYSA-N 0 0 289.360 3.013 20 10 CGCDRN CCCC[N@H+](Cc1nn(C)cc1C)Cc1ccccc1O ZINC000930352036 638992329 /nfs/dbraw/zinc/99/23/29/638992329.db2.gz STLZPEZUBYVIGL-UHFFFAOYSA-N 0 0 287.407 3.236 20 10 CGCDRN CCOC(=O)c1cnc(Sc2nc(C(C)C)c[nH]2)s1 ZINC000858727246 639016063 /nfs/dbraw/zinc/01/60/63/639016063.db2.gz GVKOAAMSTBDJHA-UHFFFAOYSA-N 0 0 297.405 3.318 20 10 CGCDRN OCCc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000040738294 639896068 /nfs/dbraw/zinc/89/60/68/639896068.db2.gz LQLCTHOPHQQSLT-UHFFFAOYSA-N 0 0 277.751 3.193 20 10 CGCDRN CCc1ccc(NC(=O)CSc2nccs2)cc1 ZINC000047240581 640006579 /nfs/dbraw/zinc/00/65/79/640006579.db2.gz ONGVBZNLNRWYRJ-UHFFFAOYSA-N 0 0 278.402 3.436 20 10 CGCDRN CC(=O)c1ccccc1NC(=O)CSc1nccs1 ZINC000047242392 640007018 /nfs/dbraw/zinc/00/70/18/640007018.db2.gz CXFMYTPTZRMPMB-UHFFFAOYSA-N 0 0 292.385 3.077 20 10 CGCDRN C[C@H](C[NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000158677847 640014806 /nfs/dbraw/zinc/01/48/06/640014806.db2.gz UFEPZJHOSKVGBZ-GFCCVEGCSA-N 0 0 259.324 3.425 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccsc1 ZINC000075159825 640123042 /nfs/dbraw/zinc/12/30/42/640123042.db2.gz QIBSOMAMPIFXIH-UHFFFAOYSA-N 0 0 287.384 3.263 20 10 CGCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000075487760 640139331 /nfs/dbraw/zinc/13/93/31/640139331.db2.gz ZPOHTMDPGALJFS-UONOGXRCSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1O ZINC000078430656 640311471 /nfs/dbraw/zinc/31/14/71/640311471.db2.gz WTSNUYUMEDEFQB-UHFFFAOYSA-N 0 0 298.386 3.039 20 10 CGCDRN COC(=O)c1ccc(NCc2cc(C)ccc2O)cc1C ZINC000191843832 640334054 /nfs/dbraw/zinc/33/40/54/640334054.db2.gz QGBCONRSTUIIPZ-UHFFFAOYSA-N 0 0 285.343 3.408 20 10 CGCDRN C[C@@H](O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000192813788 640408020 /nfs/dbraw/zinc/40/80/20/640408020.db2.gz RQRJJKVNPBVXFT-CQSZACIVSA-N 0 0 271.360 3.083 20 10 CGCDRN CSCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000193010692 640424721 /nfs/dbraw/zinc/42/47/21/640424721.db2.gz UFTFXVFYGHTUOL-UHFFFAOYSA-N 0 0 290.388 3.009 20 10 CGCDRN O=C(c1ccco1)N(Cc1ccco1)Cc1ccccc1O ZINC000247956834 640736132 /nfs/dbraw/zinc/73/61/32/640736132.db2.gz NVXRIQOBZDEFNI-UHFFFAOYSA-N 0 0 297.310 3.421 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)cc1Cl ZINC000113068565 640972619 /nfs/dbraw/zinc/97/26/19/640972619.db2.gz FZOJNRFBPFEGGX-FNORWQNLSA-N 0 0 289.766 3.058 20 10 CGCDRN COc1cc(-c2nc3c(ccc(F)c3C)[nH]2)cc(O)c1O ZINC001250488031 805647443 /nfs/dbraw/zinc/64/74/43/805647443.db2.gz BJNSWHQPYCSCQM-UHFFFAOYSA-N 0 0 288.278 3.097 20 10 CGCDRN Cc1cnc(N(C)Cc2ccc(N(C)C)cc2)c(F)c1 ZINC001156921528 805752599 /nfs/dbraw/zinc/75/25/99/805752599.db2.gz ZIIQGOSBGNOGIV-UHFFFAOYSA-N 0 0 273.355 3.232 20 10 CGCDRN COC(=O)c1sc2ccncc2c1Nc1ccc(N)cc1 ZINC001159371882 806088739 /nfs/dbraw/zinc/08/87/39/806088739.db2.gz NPDRBSNSBHWWJV-UHFFFAOYSA-N 0 0 299.355 3.409 20 10 CGCDRN Nc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001160205254 806235457 /nfs/dbraw/zinc/23/54/57/806235457.db2.gz BQVKGJOGAFRYIC-UHFFFAOYSA-N 0 0 265.316 3.135 20 10 CGCDRN CC(C)(C)[C@H](O)CNc1ccccc1C(=O)c1ccncc1 ZINC001253739505 806292444 /nfs/dbraw/zinc/29/24/44/806292444.db2.gz FIEYEFOHIBRYHO-MRXNPFEDSA-N 0 0 298.386 3.132 20 10 CGCDRN COc1cnc(Cl)nc1NCc1c(C)cc(C)cc1O ZINC001160808147 806304603 /nfs/dbraw/zinc/30/46/03/806304603.db2.gz MFCZTPHIBJVABL-UHFFFAOYSA-N 0 0 293.754 3.073 20 10 CGCDRN Cc1c[nH]c2ncnc(NCc3c(C)cc(C)cc3O)c12 ZINC001160808069 806304700 /nfs/dbraw/zinc/30/47/00/806304700.db2.gz IGWASWYPWREODE-UHFFFAOYSA-N 0 0 282.347 3.201 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(F)cc2[N+](=O)[O-])c(O)c1 ZINC001160808619 806305572 /nfs/dbraw/zinc/30/55/72/806305572.db2.gz VFUQIGVGJIVMII-UHFFFAOYSA-N 0 0 291.282 3.063 20 10 CGCDRN Cc1cc(C)c(CNc2ccc(C3CC3)nn2)c(O)c1 ZINC001160810146 806305795 /nfs/dbraw/zinc/30/57/95/806305795.db2.gz KHLWHSMJTFXIEV-UHFFFAOYSA-N 0 0 269.348 3.289 20 10 CGCDRN [O-]c1c(O)cc(-c2nnc(C3CCC3)o2)cc1Cl ZINC001255257569 806585793 /nfs/dbraw/zinc/58/57/93/806585793.db2.gz VTHKGIJIQKFSDS-UHFFFAOYSA-N 0 0 266.684 3.069 20 10 CGCDRN CC(C)(C)c1nc2[nH]ccc2c(NCc2ccc(N)cc2)n1 ZINC001162787433 806666328 /nfs/dbraw/zinc/66/63/28/806666328.db2.gz KYQOTMIRYQESCJ-UHFFFAOYSA-N 0 0 295.390 3.450 20 10 CGCDRN Cc1ccc(SCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000037285556 798865497 /nfs/dbraw/zinc/86/54/97/798865497.db2.gz RPIXMINQSPGKMR-UHFFFAOYSA-N 0 0 286.400 3.332 20 10 CGCDRN CSCC1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000385361442 799426210 /nfs/dbraw/zinc/42/62/10/799426210.db2.gz WCQKUEZXVZOTHP-UHFFFAOYSA-N 0 0 293.436 3.312 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCCO1 ZINC000386357082 799435299 /nfs/dbraw/zinc/43/52/99/799435299.db2.gz LNENZYVNMJCMRM-GXFFZTMASA-N 0 0 269.772 3.093 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)O1 ZINC000394965894 799501839 /nfs/dbraw/zinc/50/18/39/799501839.db2.gz PVGBZWVTRFURKQ-LWINAJNOSA-N 0 0 290.190 3.355 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CC(C)(C)C2)c1[O-] ZINC000395456577 799506258 /nfs/dbraw/zinc/50/62/58/799506258.db2.gz CCCHPDUKVGWLQV-UHFFFAOYSA-N 0 0 279.355 3.354 20 10 CGCDRN Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000397055448 799513571 /nfs/dbraw/zinc/51/35/71/799513571.db2.gz TUCFXJNNMQCIST-LBPRGKRZSA-N 0 0 274.339 3.394 20 10 CGCDRN Cc1c(F)cccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405224 799688976 /nfs/dbraw/zinc/68/89/76/799688976.db2.gz SEOBKZDCXJEQGV-VURMDHGXSA-N 0 0 287.290 3.197 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2[nH]ccc21 ZINC000588404263 799689047 /nfs/dbraw/zinc/68/90/47/799689047.db2.gz GMSUQIBZKYZOFY-ALCCZGGFSA-N 0 0 294.310 3.231 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@H]2CCCCS2)ccc(F)c1F ZINC000703259304 799921985 /nfs/dbraw/zinc/92/19/85/799921985.db2.gz WBYLYVKBXYUKQL-SNVBAGLBSA-N 0 0 273.348 3.046 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCCS1 ZINC000708409355 799988246 /nfs/dbraw/zinc/98/82/46/799988246.db2.gz NFZILVFAEFIDJD-LLVKDONJSA-N 0 0 273.348 3.046 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000708536269 799989758 /nfs/dbraw/zinc/98/97/58/799989758.db2.gz XOWXPQPSIBVHIM-SNVBAGLBSA-N 0 0 253.292 3.116 20 10 CGCDRN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC(C)(C)C1 ZINC000709553864 800009734 /nfs/dbraw/zinc/00/97/34/800009734.db2.gz NHXHDVLUTBDZOW-IUODEOHRSA-N 0 0 274.408 3.142 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711476453 800062068 /nfs/dbraw/zinc/06/20/68/800062068.db2.gz MRVVEFQLPCDMBR-SNVBAGLBSA-N 0 0 257.736 3.227 20 10 CGCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000713471312 800109609 /nfs/dbraw/zinc/10/96/09/800109609.db2.gz RABLTXQELILJLT-OLZOCXBDSA-N 0 0 281.783 3.093 20 10 CGCDRN Nc1ccc(NC(=O)C[C@H]2CCCC2(F)F)cc1 ZINC000714040350 800116522 /nfs/dbraw/zinc/11/65/22/800116522.db2.gz OMNBNSVKXSHHBL-SECBINFHSA-N 0 0 254.280 3.033 20 10 CGCDRN CO[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000714627261 800126136 /nfs/dbraw/zinc/12/61/36/800126136.db2.gz SCDLWTRAUUTDAH-JLIMDTESSA-N 0 0 290.190 3.214 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723651548 800334708 /nfs/dbraw/zinc/33/47/08/800334708.db2.gz UHLVZFSWMACFSS-FPMFFAJLSA-N 0 0 295.810 3.340 20 10 CGCDRN C/C=C/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014381 800385082 /nfs/dbraw/zinc/38/50/82/800385082.db2.gz IGHDYMPMZWBRKX-YGIFUYDNSA-N 0 0 258.365 3.062 20 10 CGCDRN O=c1cc(-c2cccnc2)ccn1Cc1cccc(F)c1 ZINC000821185955 800456217 /nfs/dbraw/zinc/45/62/17/800456217.db2.gz UCCJFVHIHOGMAZ-UHFFFAOYSA-N 0 0 280.302 3.098 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1c([O-])cccc1F ZINC000886645044 800546431 /nfs/dbraw/zinc/54/64/31/800546431.db2.gz QISHBCTWANREKD-JFGNBEQYSA-N 0 0 255.308 3.463 20 10 CGCDRN CC[C@H](C)Oc1cc(N2Cc3cccc(O)c3C2)nc(C)n1 ZINC001163968558 806864793 /nfs/dbraw/zinc/86/47/93/806864793.db2.gz QEEVEGFWGHRACZ-NSHDSACASA-N 0 0 299.374 3.188 20 10 CGCDRN C[C@H]([NH2+]C/C=C/C1CC1)c1cc(F)cc(F)c1[O-] ZINC001117751933 802487401 /nfs/dbraw/zinc/48/74/01/802487401.db2.gz XJXIZAAVRULDCY-HPOULIHZSA-N 0 0 253.292 3.287 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1ccncc1C)CCC2 ZINC001118821932 802607856 /nfs/dbraw/zinc/60/78/56/802607856.db2.gz ADSIRMHOLGTEIF-UHFFFAOYSA-N 0 0 298.386 3.360 20 10 CGCDRN CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC001119236984 802636912 /nfs/dbraw/zinc/63/69/12/802636912.db2.gz KYFCFVVGONNZCB-QWRGUYRKSA-N 0 0 287.375 3.386 20 10 CGCDRN COc1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC001119939783 802711043 /nfs/dbraw/zinc/71/10/43/802711043.db2.gz ZXCXLGJYZIQYNW-UHFFFAOYSA-N 0 0 289.331 3.030 20 10 CGCDRN CC(C)CCC[C@@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001120562994 802749394 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ZINC001167903036 807269841 /nfs/dbraw/zinc/26/98/41/807269841.db2.gz RTGSPXQHRUHLHM-IAZYJMLFSA-N 0 0 288.778 3.482 20 10 CGCDRN Cc1c[nH]c2c1cccc2NCCc1cc(O)c(O)cc1O ZINC001168005193 807299186 /nfs/dbraw/zinc/29/91/86/807299186.db2.gz AEOUSPDEPCBQCD-UHFFFAOYSA-N 0 0 298.342 3.248 20 10 CGCDRN Oc1cc(O)c(CCNc2cccc3c2CC=C3)cc1O ZINC001168005725 807299310 /nfs/dbraw/zinc/29/93/10/807299310.db2.gz MTQCMWVRBOCXEZ-UHFFFAOYSA-N 0 0 283.327 3.027 20 10 CGCDRN CNc1ccccc1NCCc1cn2ccccc2n1 ZINC001169009569 807551880 /nfs/dbraw/zinc/55/18/80/807551880.db2.gz REBFDCVNUOJVAU-UHFFFAOYSA-N 0 0 266.348 3.031 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(NC[C@H](O)C(F)(F)F)cc1 ZINC001169455720 807645934 /nfs/dbraw/zinc/64/59/34/807645934.db2.gz KAIQCLMMLACEGM-AWEZNQCLSA-N 0 0 298.308 3.429 20 10 CGCDRN Oc1ccc(CNc2cncc(C(F)(F)F)c2)cc1O ZINC001169992391 807735183 /nfs/dbraw/zinc/73/51/83/807735183.db2.gz GLKQVPPHYACECK-UHFFFAOYSA-N 0 0 284.237 3.124 20 10 CGCDRN CCc1nc(Cl)nc(NCc2ccc(O)c(O)c2)c1C ZINC001169992352 807735238 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ZINC001459787181 937500453 /nfs/dbraw/zinc/50/04/53/937500453.db2.gz BKTONWNDMCAGNQ-UHFFFAOYSA-N 0 0 277.667 3.030 20 10 CGCDRN Cc1cccc(CNc2nccc(C(C)C)n2)c1O ZINC001160770508 931984371 /nfs/dbraw/zinc/98/43/71/931984371.db2.gz YEEWMYJZTUHJMN-UHFFFAOYSA-N 0 0 257.337 3.226 20 10 CGCDRN C[C@](CO)([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001461235621 937571392 /nfs/dbraw/zinc/57/13/92/937571392.db2.gz PUSUKOAQAXFUDM-MRXNPFEDSA-N 0 0 299.361 3.091 20 10 CGCDRN CCCN(Cc1cc(F)c(F)cc1O)CC(F)F ZINC001461905764 937605224 /nfs/dbraw/zinc/60/52/24/937605224.db2.gz HYIKJIPLTXTHDC-UHFFFAOYSA-N 0 0 265.250 3.148 20 10 CGCDRN O=[N+]([O-])c1cnccc1Sc1ncc(Cl)s1 ZINC001307176436 932774240 /nfs/dbraw/zinc/77/42/40/932774240.db2.gz AUXKWRVMQOHONX-UHFFFAOYSA-N 0 0 273.726 3.251 20 10 CGCDRN O=C(NCc1cscc1Cl)C1=CC(=O)CS1 ZINC001303709422 932833315 /nfs/dbraw/zinc/83/33/15/932833315.db2.gz KVPCVIRUFANMEM-UHFFFAOYSA-N 0 0 273.766 3.099 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccccc1O ZINC001304089968 932842375 /nfs/dbraw/zinc/84/23/75/932842375.db2.gz STRMCJFVBKQRNE-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(O)c1 ZINC001462652029 937656564 /nfs/dbraw/zinc/65/65/64/937656564.db2.gz GYWCVEPTPPWKDI-UHFFFAOYSA-N 0 0 277.751 3.349 20 10 CGCDRN C[C@@H]([NH2+]C1CC(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC001308900562 933199763 /nfs/dbraw/zinc/19/97/63/933199763.db2.gz BJQNMXZYLQIKRL-PNESKVBLSA-N 0 0 291.391 3.163 20 10 CGCDRN CCCC1(CNC(=O)NCc2c(O)cccc2F)CCC1 ZINC001312290656 933349886 /nfs/dbraw/zinc/34/98/86/933349886.db2.gz BYAAOYUTDKUYIA-UHFFFAOYSA-N 0 0 294.370 3.301 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001312300316 933352486 /nfs/dbraw/zinc/35/24/86/933352486.db2.gz WJNVXLSERSZSPP-MFKMUULPSA-N 0 0 296.798 3.424 20 10 CGCDRN CCC[C@@H](C)CCNC(=O)NCc1cc(C)ccc1O ZINC001313225782 933435084 /nfs/dbraw/zinc/43/50/84/933435084.db2.gz VCINFQIFOHTINM-GFCCVEGCSA-N 0 0 278.396 3.326 20 10 CGCDRN Cc1ccc([C@H](C)Nc2ccc(CCC(N)=O)cc2)c(O)c1 ZINC001320259479 934021524 /nfs/dbraw/zinc/02/15/24/934021524.db2.gz QUSCOCAQXJQWIE-ZDUSSCGKSA-N 0 0 298.386 3.292 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1cc(F)cc(F)c1[O-] ZINC001320410970 934045662 /nfs/dbraw/zinc/04/56/62/934045662.db2.gz JBAQPSLYBIEDRM-NZVBXONLSA-N 0 0 298.377 3.194 20 10 CGCDRN Cc1sc(Cl)nc1C(=O)NCc1cc(C)ccc1O ZINC001470255129 937750072 /nfs/dbraw/zinc/75/00/72/937750072.db2.gz QYSICRXIYGHOEE-UHFFFAOYSA-N 0 0 296.779 3.049 20 10 CGCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1cccc2cc[nH]c21 ZINC001470984623 937760100 /nfs/dbraw/zinc/76/01/00/937760100.db2.gz FQCBBBAUKSGYFO-WAYWQWQTSA-N 0 0 295.317 3.378 20 10 CGCDRN O=C(c1ccc(Cl)s1)N1Cc2cccc(O)c2C1 ZINC001471355585 937764842 /nfs/dbraw/zinc/76/48/42/937764842.db2.gz LWKTTXZQWNXDJF-UHFFFAOYSA-N 0 0 279.748 3.263 20 10 CGCDRN C[C@H]([NH2+]CCC1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC001325340877 934905543 /nfs/dbraw/zinc/90/55/43/934905543.db2.gz SXPHOODJYOMIED-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN COc1ccc(N(C)CCOCC2CCCC2)cc1 ZINC001473613245 937813903 /nfs/dbraw/zinc/81/39/03/937813903.db2.gz MQVQWUIJAYCZHC-UHFFFAOYSA-N 0 0 263.381 3.338 20 10 CGCDRN C[C@@H](O)[C@@H](C)Oc1ccc(N2CCCCC2)c(Cl)c1 ZINC001328605417 935150943 /nfs/dbraw/zinc/15/09/43/935150943.db2.gz SARCIJIOXCOJGH-VXGBXAGGSA-N 0 0 283.799 3.478 20 10 CGCDRN C[C@H](NC(=O)C1(C(C)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC001329261570 935199734 /nfs/dbraw/zinc/19/97/34/935199734.db2.gz CAJSYALQJPPFQQ-NSHDSACASA-N 0 0 296.361 3.365 20 10 CGCDRN C[C@H](C(=O)Nc1c2nonc2ccc1Cl)C(F)(F)F ZINC001329520315 935223642 /nfs/dbraw/zinc/22/36/42/935223642.db2.gz VSJDGKHBOOOTEJ-SCSAIBSYSA-N 0 0 293.632 3.013 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2scnc21 ZINC001330028413 935262321 /nfs/dbraw/zinc/26/23/21/935262321.db2.gz FEIYDFICZGNHPC-UHFFFAOYSA-N 0 0 299.403 3.073 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001331287852 935365407 /nfs/dbraw/zinc/36/54/07/935365407.db2.gz CHLMJDONDMKZGR-MWLCHTKSSA-N 0 0 259.271 3.041 20 10 CGCDRN C[C@H](CC1CCCCC1)C(=O)NCc1ccc(O)cc1O ZINC001332165759 935444981 /nfs/dbraw/zinc/44/49/81/935444981.db2.gz NNXJBRHUGFVSOH-GFCCVEGCSA-N 0 0 291.391 3.321 20 10 CGCDRN C[C@H](NCc1c(F)cncc1F)c1ccc(N(C)C)cc1 ZINC001332899196 935496400 /nfs/dbraw/zinc/49/64/00/935496400.db2.gz ZDOGCXRUBZOXAL-NSHDSACASA-N 0 0 291.345 3.277 20 10 CGCDRN Cc1occc1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001333704630 936057323 /nfs/dbraw/zinc/05/73/23/936057323.db2.gz ZGYOHXGICCPUDI-UHFFFAOYSA-N 0 0 267.275 3.204 20 10 CGCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1(C)CC1 ZINC001336204682 936180192 /nfs/dbraw/zinc/18/01/92/936180192.db2.gz XIGAHZDXFDHZAW-MRVPVSSYSA-N 0 0 291.372 3.231 20 10 CGCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1(C)CC1 ZINC001336204683 936180267 /nfs/dbraw/zinc/18/02/67/936180267.db2.gz XIGAHZDXFDHZAW-QMMMGPOBSA-N 0 0 291.372 3.231 20 10 CGCDRN Cc1cccc([C@H](C)NC(=O)NCc2ccc(N)cc2)c1C ZINC001336826353 936221581 /nfs/dbraw/zinc/22/15/81/936221581.db2.gz KSCBPMHLONVMIT-AWEZNQCLSA-N 0 0 297.402 3.446 20 10 CGCDRN Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001337014612 936231838 /nfs/dbraw/zinc/23/18/38/936231838.db2.gz BENVRHCEEBBXDQ-SQWLQELKSA-N 0 0 287.407 3.037 20 10 CGCDRN COc1cc(CN(C)c2ccc3c(c2)OCO3)ccc1F ZINC001337468558 936261308 /nfs/dbraw/zinc/26/13/08/936261308.db2.gz VCEZITIWCBMHPS-UHFFFAOYSA-N 0 0 289.306 3.199 20 10 CGCDRN Oc1cccc(F)c1CNc1nc(C2CC2)nc2[nH]ccc21 ZINC001337998446 936302272 /nfs/dbraw/zinc/30/22/72/936302272.db2.gz YKFFKIQKAJFOPD-UHFFFAOYSA-N 0 0 298.321 3.292 20 10 CGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1ccc(C)cc1O ZINC001474426252 937859297 /nfs/dbraw/zinc/85/92/97/937859297.db2.gz TVBUFYBPPCZWCY-UHFFFAOYSA-N 0 0 293.407 3.254 20 10 CGCDRN COc1ccc(N(C)Cc2cc3cccnc3o2)cc1 ZINC001474613765 937870839 /nfs/dbraw/zinc/87/08/39/937870839.db2.gz JKNFMCSXWQVHHV-UHFFFAOYSA-N 0 0 268.316 3.473 20 10 CGCDRN [O-]c1c(C[NH+](CC2CC2)CC2CC2)ccc(F)c1F ZINC001474634331 937871834 /nfs/dbraw/zinc/87/18/34/937871834.db2.gz DHCAXRAOZLGMTR-UHFFFAOYSA-N 0 0 267.319 3.292 20 10 CGCDRN Oc1cc(Cl)cc(CN2Cc3cccc(O)c3C2)c1 ZINC001474677394 937874398 /nfs/dbraw/zinc/87/43/98/937874398.db2.gz LDDPCHDSYJFUTQ-UHFFFAOYSA-N 0 0 275.735 3.267 20 10 CGCDRN CC(C)CC1(CNC(=O)NCc2c(O)cccc2F)CC1 ZINC001478194166 937902963 /nfs/dbraw/zinc/90/29/63/937902963.db2.gz OCLXXDDZKHVOIQ-UHFFFAOYSA-N 0 0 294.370 3.157 20 10 CGCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1cccnc1C ZINC001518309151 938014742 /nfs/dbraw/zinc/01/47/42/938014742.db2.gz VJASMDWHRYKBMW-VAWYXSNFSA-N 0 0 296.370 3.465 20 10 CGCDRN Cc1cc(CC(=O)N2CCCCO2)c(C)n1-c1ccccc1 ZINC001522309656 938036416 /nfs/dbraw/zinc/03/64/16/938036416.db2.gz GZNBNWODLDVEBY-UHFFFAOYSA-N 0 0 298.386 3.191 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](C2CCCC2)C1 ZINC001522826564 938037873 /nfs/dbraw/zinc/03/78/73/938037873.db2.gz OCPPEWKSXBRVND-LBPRGKRZSA-N 0 0 279.405 3.496 20 10 CGCDRN C/C=C(\C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001523552743 938040180 /nfs/dbraw/zinc/04/01/80/938040180.db2.gz BAYKZWFSDGEAPD-LNKIKWGQSA-N 0 0 272.392 3.211 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2cc(C)ccc21 ZINC001524241763 938043330 /nfs/dbraw/zinc/04/33/30/938043330.db2.gz ZENSYIMKHBGOPV-KAMYIIQDSA-N 0 0 294.354 3.219 20 10 CGCDRN O=C(c1ccc(F)c(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001558036353 938213302 /nfs/dbraw/zinc/21/33/02/938213302.db2.gz YIZQKPHDJJCHJI-UHFFFAOYSA-N 0 0 291.709 3.341 20 10 CGCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccoc1 ZINC001558553659 938216263 /nfs/dbraw/zinc/21/62/63/938216263.db2.gz VBNJGRSVBITQKK-UHFFFAOYSA-N 0 0 267.284 3.068 20 10 CGCDRN CCOc1ccc(N(Cc2cnn(C)c2)CC2CC2)cc1 ZINC001560070473 938243154 /nfs/dbraw/zinc/24/31/54/938243154.db2.gz ZVGAOVSGCCISCN-UHFFFAOYSA-N 0 0 285.391 3.235 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CO)CC1CCCCC1 ZINC001560510187 938260899 /nfs/dbraw/zinc/26/08/99/938260899.db2.gz IZRYNPBBEUPAHH-CQSZACIVSA-N 0 0 299.361 3.091 20 10 CGCDRN COC(=O)[C@H](CC(C)C)NCc1cc(C(C)C)ccc1O ZINC001560986953 938288196 /nfs/dbraw/zinc/28/81/96/938288196.db2.gz NKSOWCDVHAGYLD-HNNXBMFYSA-N 0 0 293.407 3.193 20 10 CGCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2c([O-])cccc2F)C1 ZINC001561015576 938289545 /nfs/dbraw/zinc/28/95/45/938289545.db2.gz AGYZKQPMJFCBNC-RYUDHWBXSA-N 0 0 251.345 3.447 20 10 CGCDRN Cc1cc(CNC(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC001561820193 938296685 /nfs/dbraw/zinc/29/66/85/938296685.db2.gz ZYTBEGAKJVGBHX-UHFFFAOYSA-N 0 0 285.391 3.302 20 10 CGCDRN Cc1cc(O)c(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC001594327038 958182330 /nfs/dbraw/zinc/18/23/30/958182330.db2.gz OUPBHDLVQQGWQP-LLVKDONJSA-N 0 0 299.798 3.191 20 10 CGCDRN Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2)c1 ZINC001594373237 958561753 /nfs/dbraw/zinc/56/17/53/958561753.db2.gz KEJCXYUZPZKNOI-LBPRGKRZSA-N 0 0 285.343 3.250 20 10 CGCDRN Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCCC2)c1O ZINC001600218852 960545372 /nfs/dbraw/zinc/54/53/72/960545372.db2.gz CMDLGNZBWXLOAC-UHFFFAOYSA-N 0 0 297.782 3.183 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1ccc2ccncc2c1 ZINC001566303910 960922449 /nfs/dbraw/zinc/92/24/49/960922449.db2.gz JYFBIYTWHQSALU-UHFFFAOYSA-N 0 0 292.338 3.213 20 10 CGCDRN CCc1cccc(N(C)C(=O)Cc2ccc(N)cc2)c1 ZINC001578266393 962582582 /nfs/dbraw/zinc/58/25/82/962582582.db2.gz HVNOVCJJKHFIMK-UHFFFAOYSA-N 0 0 268.360 3.037 20 10 CGCDRN CNc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cn1 ZINC001578759869 962602212 /nfs/dbraw/zinc/60/22/12/962602212.db2.gz ADJXFRPQXNDPBE-SNAWJCMRSA-N 0 0 282.391 3.315 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N1CCCNc2ccccc21 ZINC001579880315 962682807 /nfs/dbraw/zinc/68/28/07/962682807.db2.gz CPOFHKAESACNQT-KTKRTIGZSA-N 0 0 293.370 3.252 20 10 CGCDRN Cn1ccc2ccc(C(=O)Nc3ccc(N)cc3)cc21 ZINC001579976418 962685820 /nfs/dbraw/zinc/68/58/20/962685820.db2.gz ZILQYMQTXKZYRD-UHFFFAOYSA-N 0 0 265.316 3.013 20 10 CGCDRN C/C(=C\C(=O)N1CCC=Cc2ccccc21)c1cnccn1 ZINC001585034892 962979451 /nfs/dbraw/zinc/97/94/51/962979451.db2.gz UTHPGWFDGBXRFA-WYMLVPIESA-N 0 0 291.354 3.330 20 10 CGCDRN O=C(c1ccnc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001587928014 963235880 /nfs/dbraw/zinc/23/58/80/963235880.db2.gz FRTOAPBNVROWIY-UHFFFAOYSA-N 0 0 290.322 3.096 20 10 CGCDRN CSCc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001587929055 963237458 /nfs/dbraw/zinc/23/74/58/963237458.db2.gz WDTURQZBFXPWAN-UHFFFAOYSA-N 0 0 299.395 3.411 20 10 CGCDRN C/C(=C/C(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC001588156369 963248915 /nfs/dbraw/zinc/24/89/15/963248915.db2.gz WYOUUYGIIVCHHN-BENRWUELSA-N 0 0 271.316 3.047 20 10 CGCDRN CCCCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)[O-] ZINC001595683162 982169384 /nfs/dbraw/zinc/16/93/84/982169384.db2.gz KXEDPOBKTPQKII-HNNXBMFYSA-N 0 0 291.391 3.135 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001593258301 994541125 /nfs/dbraw/zinc/54/11/25/994541125.db2.gz ZRZXSISVKJWRTD-BXUZGUMPSA-N 0 0 297.354 3.081 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cc(C(=O)[O-])ccc1O ZINC001593353622 994981848 /nfs/dbraw/zinc/98/18/48/994981848.db2.gz CBDVETORZBVKHW-JIMOISOXSA-N 0 0 281.327 3.022 20 10 CGCDRN CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276652158 282309909 /nfs/dbraw/zinc/30/99/09/282309909.db2.gz MMQRIIDUJBZXNF-JTQLQIEISA-N 0 0 287.350 3.262 20 10 CGCDRN CCCCCCNC(=O)N(C)Cc1ccccc1O ZINC000042911766 344990214 /nfs/dbraw/zinc/99/02/14/344990214.db2.gz QGGRIMLUXMXNIK-UHFFFAOYSA-N 0 0 264.369 3.114 20 10 CGCDRN COc1cccc(CNC(=O)c2ccc(C(C)C)cc2)c1O ZINC000068488727 345354300 /nfs/dbraw/zinc/35/43/00/345354300.db2.gz OADFRSSRSXVLCF-UHFFFAOYSA-N 0 0 299.370 3.454 20 10 CGCDRN C[C@@H](CCOc1ccccc1)C(=O)NCc1ccccc1O ZINC000072910410 345421330 /nfs/dbraw/zinc/42/13/30/345421330.db2.gz HJYTWGZOUYNSPW-AWEZNQCLSA-N 0 0 299.370 3.114 20 10 CGCDRN CCN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000073545149 345446537 /nfs/dbraw/zinc/44/65/37/345446537.db2.gz SUZIFFGHSCRMAU-UHFFFAOYSA-N 0 0 286.375 3.195 20 10 CGCDRN COc1cccc([C@H](C)CC(=O)NCc2ccccc2O)c1 ZINC000084631514 345739072 /nfs/dbraw/zinc/73/90/72/345739072.db2.gz JSRQRFYHZFYXMN-CYBMUJFWSA-N 0 0 299.370 3.211 20 10 CGCDRN Cc1ccc(N(C)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000089635608 345772393 /nfs/dbraw/zinc/77/23/93/345772393.db2.gz GCVULHHEIGCVND-UHFFFAOYSA-N 0 0 272.304 3.245 20 10 CGCDRN CC(C)(C)OC(=O)NCc1cc(Cl)ccc1O ZINC000090636360 180017242 /nfs/dbraw/zinc/01/72/42/180017242.db2.gz IEXNKDQSZTYMTI-UHFFFAOYSA-N 0 0 257.717 3.070 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000042812714 369233585 /nfs/dbraw/zinc/23/35/85/369233585.db2.gz RVKIZPOLQRWAFB-LLVKDONJSA-N 0 0 290.190 3.358 20 10 CGCDRN Cc1ccc(Cl)cc1N(C)C(=O)C=Cc1c[nH]cn1 ZINC000493612367 244198899 /nfs/dbraw/zinc/19/88/99/244198899.db2.gz DXKVTVBLVZKCJM-WAYWQWQTSA-N 0 0 275.739 3.048 20 10 CGCDRN O=C(/C=C\c1cncs1)N1CCCc2ccc(F)cc21 ZINC000493837287 244240052 /nfs/dbraw/zinc/24/00/52/244240052.db2.gz OYXNQMHDMWSKMA-WAYWQWQTSA-N 0 0 288.347 3.275 20 10 CGCDRN CCCC(=CC(=O)NCCc1ccc(O)c(O)c1)CCC ZINC000092515469 370098393 /nfs/dbraw/zinc/09/83/93/370098393.db2.gz UFTBLDPGOLXIRD-UHFFFAOYSA-N 0 0 291.391 3.283 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C/c2cncc(F)c2)c1 ZINC000104387236 370343842 /nfs/dbraw/zinc/34/38/42/370343842.db2.gz HMYYZZUCGAGWEN-VOTSOKGWSA-N 0 0 270.307 3.205 20 10 CGCDRN Cc1cc(NCc2c(C)c3ccccc3n2C)no1 ZINC000287549096 371671599 /nfs/dbraw/zinc/67/15/99/371671599.db2.gz CPCRCGRBQREWJK-UHFFFAOYSA-N 0 0 255.321 3.395 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000160245057 372230227 /nfs/dbraw/zinc/23/02/27/372230227.db2.gz NKDAUMLFLSWREC-SNVBAGLBSA-N 0 0 277.261 3.306 20 10 CGCDRN CC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000293616388 372425620 /nfs/dbraw/zinc/42/56/20/372425620.db2.gz JKRHUZUDONBZSI-SFYZADRCSA-N 0 0 278.179 3.121 20 10 CGCDRN C[N@H+](CCc1ccncc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000293660755 372441167 /nfs/dbraw/zinc/44/11/67/372441167.db2.gz POLJPXWKNUCYEE-UHFFFAOYSA-N 0 0 294.757 3.254 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294071220 372572556 /nfs/dbraw/zinc/57/25/56/372572556.db2.gz QMBCDIWGSUAFPU-HOTGVXAUSA-N 0 0 293.794 3.189 20 10 CGCDRN CC[C@H](CSC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168863484 372621394 /nfs/dbraw/zinc/62/13/94/372621394.db2.gz UQVSOAPQGXMROY-GHMZBOCLSA-N 0 0 269.410 3.193 20 10 CGCDRN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000294743625 372670774 /nfs/dbraw/zinc/67/07/74/372670774.db2.gz QYKLCZMCYWCMBN-ONGXEEELSA-N 0 0 287.762 3.184 20 10 CGCDRN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000294743607 372670953 /nfs/dbraw/zinc/67/09/53/372670953.db2.gz QYKLCZMCYWCMBN-KOLCDFICSA-N 0 0 287.762 3.184 20 10 CGCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1cccc(OC)c1O ZINC000294799622 372671879 /nfs/dbraw/zinc/67/18/79/372671879.db2.gz DYMYDZBVHBGLAY-JSGCOSHPSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(N(Cc2cnns2)C(C)C)cc1F ZINC000294997643 372685837 /nfs/dbraw/zinc/68/58/37/372685837.db2.gz RJTXJJWBWQJJBU-UHFFFAOYSA-N 0 0 281.356 3.101 20 10 CGCDRN COC[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295135142 372694922 /nfs/dbraw/zinc/69/49/22/372694922.db2.gz PBHIHGYFKYHYHK-AWEZNQCLSA-N 0 0 287.762 3.043 20 10 CGCDRN CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000295822802 372922906 /nfs/dbraw/zinc/92/29/06/372922906.db2.gz BZHKHLBXMJQMNE-UWVGGRQHSA-N 0 0 295.333 3.299 20 10 CGCDRN CC[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000298329369 373294619 /nfs/dbraw/zinc/29/46/19/373294619.db2.gz NUSZELXDGGBQGJ-NSHDSACASA-N 0 0 271.364 3.017 20 10 CGCDRN CN(C)c1ccc(CN(C(=O)CC2CC2)C2CC2)cc1 ZINC000298387852 373311823 /nfs/dbraw/zinc/31/18/23/373311823.db2.gz YUOCNHCXKBJULD-UHFFFAOYSA-N 0 0 272.392 3.044 20 10 CGCDRN CC(C)(C)c1cnc(Sc2ncccn2)s1 ZINC000301616920 373791116 /nfs/dbraw/zinc/79/11/16/373791116.db2.gz CFSSMPHIOYDTPC-UHFFFAOYSA-N 0 0 251.380 3.382 20 10 CGCDRN CC[C@H](C)CN(CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181158521 374086738 /nfs/dbraw/zinc/08/67/38/374086738.db2.gz QDSARRWVNJOTDQ-CRALRDPISA-N 0 0 277.364 3.006 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c(O)c1O ZINC000181816554 374175937 /nfs/dbraw/zinc/17/59/37/374175937.db2.gz BXAHIIFMJUZYQQ-GXTWGEPZSA-N 0 0 289.375 3.201 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c(O)c1O ZINC000181897610 374188356 /nfs/dbraw/zinc/18/83/56/374188356.db2.gz PBJBMEDDIVIEFJ-JQWIXIFHSA-N 0 0 277.364 3.057 20 10 CGCDRN Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C)c(O)c1O ZINC000182394786 374267542 /nfs/dbraw/zinc/26/75/42/374267542.db2.gz DMTLZLGKNWZQQI-LBPRGKRZSA-N 0 0 297.354 3.166 20 10 CGCDRN CCC1(C(=O)NCCc2ccc(O)c(O)c2)CCCCC1 ZINC000184215689 374504271 /nfs/dbraw/zinc/50/42/71/374504271.db2.gz ICCGVZLYIHOWAC-UHFFFAOYSA-N 0 0 291.391 3.117 20 10 CGCDRN CSC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187726983 375081869 /nfs/dbraw/zinc/08/18/69/375081869.db2.gz UFVSSCDMTZHQNE-YUMQZZPRSA-N 0 0 261.337 3.073 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)c(F)c1[O-] ZINC000187786589 375095249 /nfs/dbraw/zinc/09/52/49/375095249.db2.gz ZGBGVZQZIHZFSB-UWVGGRQHSA-N 0 0 253.292 3.430 20 10 CGCDRN CC(C)CN(C(=O)/C=C\c1cnccn1)c1ccccc1 ZINC000492908911 375456997 /nfs/dbraw/zinc/45/69/97/375456997.db2.gz GXUZCOREMZQEIG-HJWRWDBZSA-N 0 0 281.359 3.179 20 10 CGCDRN CN(C(=O)/C=C\c1cccnc1)c1cccc2cccnc21 ZINC000492621542 375449141 /nfs/dbraw/zinc/44/91/41/375449141.db2.gz VLDFMGABMNBFCI-KTKRTIGZSA-N 0 0 289.338 3.306 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC=C(C)C ZINC000190652166 375526656 /nfs/dbraw/zinc/52/66/56/375526656.db2.gz VQXZRGOESZXDHY-UHFFFAOYSA-N 0 0 276.380 3.280 20 10 CGCDRN CN(CCCCc1ccccc1)C(=O)c1cccc(O)c1O ZINC000192986973 375812306 /nfs/dbraw/zinc/81/23/06/375812306.db2.gz UIYUDPBEQZFDEF-UHFFFAOYSA-N 0 0 299.370 3.193 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529648393 375931778 /nfs/dbraw/zinc/93/17/78/375931778.db2.gz BIWUJJCZVXYQQP-UHFFFAOYSA-N 0 0 295.741 3.452 20 10 CGCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000529670355 375933434 /nfs/dbraw/zinc/93/34/34/375933434.db2.gz SNXMUORZNVURMB-NMSKTSORSA-N 0 0 287.762 3.086 20 10 CGCDRN Cc1nc(CC(C)C)c(C(=O)Nc2ccc(N)cc2)s1 ZINC000269141896 378192117 /nfs/dbraw/zinc/19/21/17/378192117.db2.gz WLQNNUNOHVZNFQ-UHFFFAOYSA-N 0 0 289.404 3.485 20 10 CGCDRN Cc1nsc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000271271851 378488124 /nfs/dbraw/zinc/48/81/24/378488124.db2.gz DLUCRAOMNMJZEA-UHFFFAOYSA-N 0 0 275.377 3.043 20 10 CGCDRN OCc1ccc(COc2ccc(N3CCCC3)cc2)cc1 ZINC000272350514 378619513 /nfs/dbraw/zinc/61/95/13/378619513.db2.gz YAQCENDVLABULA-UHFFFAOYSA-N 0 0 283.371 3.358 20 10 CGCDRN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)[nH]n1 ZINC000273354489 378742405 /nfs/dbraw/zinc/74/24/05/378742405.db2.gz CJILGRNWOCHUDT-BXUZGUMPSA-N 0 0 287.407 3.322 20 10 CGCDRN Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)cnn1C ZINC000273389058 378743590 /nfs/dbraw/zinc/74/35/90/378743590.db2.gz KHBDWNRUEUDIGO-CHWSQXEVSA-N 0 0 287.407 3.463 20 10 CGCDRN C[C@H]([NH2+]CCc1cccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273372500 378744006 /nfs/dbraw/zinc/74/40/06/378744006.db2.gz GGTYGPVRRWRLLV-JTQLQIEISA-N 0 0 292.360 3.255 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(C)c2)c1 ZINC000273441300 378745099 /nfs/dbraw/zinc/74/50/99/378745099.db2.gz YMWNUYHTIRWPEH-CYBMUJFWSA-N 0 0 299.370 3.338 20 10 CGCDRN CCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000273607886 378756551 /nfs/dbraw/zinc/75/65/51/378756551.db2.gz URRRIBGOBCLOKJ-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000371419257 379162571 /nfs/dbraw/zinc/16/25/71/379162571.db2.gz KFGVKVRAGUBMSZ-HNNXBMFYSA-N 0 0 261.365 3.165 20 10 CGCDRN CC1CCN(c2ccc(CNCc3cocn3)cc2)CC1 ZINC000192310398 542264476 /nfs/dbraw/zinc/26/44/76/542264476.db2.gz PJUFXQKRZOBPFW-UHFFFAOYSA-N 0 0 285.391 3.201 20 10 CGCDRN O=C(NCCc1cccc(Cl)c1)C1=CC(=O)CS1 ZINC000731864417 572430472 /nfs/dbraw/zinc/43/04/72/572430472.db2.gz UVKQGLXUGAXQIM-UHFFFAOYSA-N 0 0 281.764 3.080 20 10 CGCDRN CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282146598 379861966 /nfs/dbraw/zinc/86/19/66/379861966.db2.gz ILGMIZHGBVKGLN-NSHDSACASA-N 0 0 295.814 3.005 20 10 CGCDRN O=C(OCc1cccc(F)c1F)C1=CC(=O)CS1 ZINC000731910204 572435665 /nfs/dbraw/zinc/43/56/65/572435665.db2.gz OJHLWIOISUFMAG-UHFFFAOYSA-N 0 0 270.256 3.089 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)C1=COCCC1 ZINC000282493206 379932081 /nfs/dbraw/zinc/93/20/81/379932081.db2.gz MUVBWKNNMAFVNC-UHFFFAOYSA-N 0 0 289.375 3.215 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncoc1C ZINC000282533312 379940371 /nfs/dbraw/zinc/94/03/71/379940371.db2.gz QTNQOIXQOPGTMQ-UHFFFAOYSA-N 0 0 288.347 3.131 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CC(C)(C)OC ZINC000282581912 379948270 /nfs/dbraw/zinc/94/82/70/379948270.db2.gz WCDJXFKKJAKCLF-UHFFFAOYSA-N 0 0 293.407 3.336 20 10 CGCDRN CC[C@H]([NH2+]CC(O)(CC)CC)c1ccc(F)cc1[O-] ZINC000286148350 380166120 /nfs/dbraw/zinc/16/61/20/380166120.db2.gz PGVMKTYGTHTZEM-ZDUSSCGKSA-N 0 0 269.360 3.123 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(F)cc1[O-] ZINC000286153155 380167561 /nfs/dbraw/zinc/16/75/61/380167561.db2.gz PNFWABLJFXZUDB-DZGCQCFKSA-N 0 0 269.360 3.243 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000286165546 380168874 /nfs/dbraw/zinc/16/88/74/380168874.db2.gz QBQZIUOASHKOAQ-HZMBPMFUSA-N 0 0 277.343 3.067 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CCCN1CC)c1ccc(F)cc1[O-] ZINC000285685517 380152631 /nfs/dbraw/zinc/15/26/31/380152631.db2.gz OESWJATWTAELAV-HIFRSBDPSA-N 0 0 280.387 3.056 20 10 CGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1N(C)C ZINC000732271299 572455519 /nfs/dbraw/zinc/45/55/19/572455519.db2.gz FYHKCISNHICAHJ-UHFFFAOYSA-N 0 0 276.361 3.080 20 10 CGCDRN Cc1noc(C)c1COc1ccc(N2CCCC2)cc1 ZINC000178192999 392674618 /nfs/dbraw/zinc/67/46/18/392674618.db2.gz RIYWACAJNUFFQU-UHFFFAOYSA-N 0 0 272.348 3.471 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[C@H]1C ZINC000346277036 393081710 /nfs/dbraw/zinc/08/17/10/393081710.db2.gz UXVGYNXTAPVENN-BXUZGUMPSA-N 0 0 285.391 3.084 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000290267693 286029116 /nfs/dbraw/zinc/02/91/16/286029116.db2.gz LFFCTKNDDJVILY-SNVBAGLBSA-N 0 0 287.350 3.384 20 10 CGCDRN Cc1ccncc1NCc1cccc(Br)c1O ZINC000071413933 176159131 /nfs/dbraw/zinc/15/91/31/176159131.db2.gz WPGHQYRTWURCOJ-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1C=CCC1 ZINC000348701691 226507025 /nfs/dbraw/zinc/50/70/25/226507025.db2.gz RJPFYFZCBXIDRG-CQSZACIVSA-N 0 0 282.387 3.459 20 10 CGCDRN Cc1cnc(C)c(NCCCSc2nccs2)n1 ZINC000302235569 227830584 /nfs/dbraw/zinc/83/05/84/227830584.db2.gz UYOGRJGKJDLIMI-UHFFFAOYSA-N 0 0 280.422 3.144 20 10 CGCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000151420630 260981399 /nfs/dbraw/zinc/98/13/99/260981399.db2.gz BLAYUUSIGFDWLX-LBPRGKRZSA-N 0 0 288.416 3.234 20 10 CGCDRN CC[C@@H](C)[C@@H](C)N(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000156523619 261125359 /nfs/dbraw/zinc/12/53/59/261125359.db2.gz BRHQFGNUQCHTOJ-CHWSQXEVSA-N 0 0 274.408 3.237 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000157930282 261155307 /nfs/dbraw/zinc/15/53/07/261155307.db2.gz IITNXTGYAYSKEY-NKFCBESUSA-N 0 0 279.355 3.140 20 10 CGCDRN CCCC[C@@H](CC)CC(=O)NCc1ccc(O)c(O)c1 ZINC000158925356 261174265 /nfs/dbraw/zinc/17/42/65/261174265.db2.gz ZBTCOWIQABXUPN-GFCCVEGCSA-N 0 0 279.380 3.321 20 10 CGCDRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ccc(N)cc1 ZINC000161685703 261256530 /nfs/dbraw/zinc/25/65/30/261256530.db2.gz PMIHYVLPPBTSNJ-XJKSGUPXSA-N 0 0 274.408 3.239 20 10 CGCDRN CCN(C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000162528679 261284857 /nfs/dbraw/zinc/28/48/57/261284857.db2.gz MYDGFBYDLVOZTD-UHFFFAOYSA-N 0 0 277.412 3.035 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1(c2ccccc2)CC1 ZINC000103269446 261322081 /nfs/dbraw/zinc/32/20/81/261322081.db2.gz JQJKPHUURBXNJG-UHFFFAOYSA-N 0 0 281.355 3.082 20 10 CGCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000174918892 261588290 /nfs/dbraw/zinc/58/82/90/261588290.db2.gz FQZWWPAMYCUPDW-CABCVRRESA-N 0 0 299.418 3.003 20 10 CGCDRN Cc1cnc(C)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC000184054987 262006451 /nfs/dbraw/zinc/00/64/51/262006451.db2.gz UMBHOVKRINAQIZ-UHFFFAOYSA-N 0 0 282.391 3.306 20 10 CGCDRN Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185435269 262054276 /nfs/dbraw/zinc/05/42/76/262054276.db2.gz YXZOZLFNXISRIK-SJKOYZFVSA-N 0 0 289.350 3.224 20 10 CGCDRN CCC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C ZINC000186407448 262092142 /nfs/dbraw/zinc/09/21/42/262092142.db2.gz VRKIANNVWIAHLL-GXTWGEPZSA-N 0 0 293.407 3.217 20 10 CGCDRN CC1(C(=O)NCc2ccccc2O)CCCCCC1 ZINC000272923333 263010051 /nfs/dbraw/zinc/01/00/51/263010051.db2.gz OLPBVZPOHCNHMI-UHFFFAOYSA-N 0 0 261.365 3.369 20 10 CGCDRN CCCOc1cncc(NCc2cccc(OC)c2O)c1 ZINC000527781395 270135901 /nfs/dbraw/zinc/13/59/01/270135901.db2.gz LHOMEAZRZUVENF-UHFFFAOYSA-N 0 0 288.347 3.197 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1nc(C)nc(C)c1F ZINC000359830207 266643162 /nfs/dbraw/zinc/64/31/62/266643162.db2.gz JVCSZLMISALPSK-UHFFFAOYSA-N 0 0 298.365 3.067 20 10 CGCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000291700910 281246761 /nfs/dbraw/zinc/24/67/61/281246761.db2.gz ZBEQVPBDGSRXIB-HIFRSBDPSA-N 0 0 295.810 3.435 20 10 CGCDRN CCN(CC)c1ccc(CN2CCn3cc(C)nc3C2)cc1 ZINC000378631055 329057140 /nfs/dbraw/zinc/05/71/40/329057140.db2.gz GUSAWIXKWDXBEC-UHFFFAOYSA-N 0 0 298.434 3.054 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CC=CC1 ZINC000527746964 330280667 /nfs/dbraw/zinc/28/06/67/330280667.db2.gz XSZANWJONYMWIX-UHFFFAOYSA-N 0 0 255.720 3.241 20 10 CGCDRN Oc1cccc2c1[C@H](Nc1cccc3c1OCC3)CC2 ZINC000527958704 330294947 /nfs/dbraw/zinc/29/49/47/330294947.db2.gz IJIZHEHFAYOAEV-CYBMUJFWSA-N 0 0 267.328 3.427 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccccc1F ZINC000491024483 332140496 /nfs/dbraw/zinc/14/04/96/332140496.db2.gz LGNAZLPSHBXPCM-MDZDMXLPSA-N 0 0 270.307 3.287 20 10 CGCDRN CCN(C(=O)/C=C\c1cnccn1)c1cc(C)cc(C)c1 ZINC000491211829 332167336 /nfs/dbraw/zinc/16/73/36/332167336.db2.gz HYBITYCQPFFYSX-WAYWQWQTSA-N 0 0 281.359 3.160 20 10 CGCDRN CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccccc1O ZINC000229546834 333306174 /nfs/dbraw/zinc/30/61/74/333306174.db2.gz XAASXKTYYZPYGC-OAHLLOKOSA-N 0 0 264.413 3.163 20 10 CGCDRN Cc1cocc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000528866627 333462550 /nfs/dbraw/zinc/46/25/50/333462550.db2.gz XJULPIGRYGFOOF-UHFFFAOYSA-N 0 0 285.343 3.102 20 10 CGCDRN CC(=O)c1cc(F)cc(CN(CC(F)F)C(C)C)c1O ZINC000135406787 334128938 /nfs/dbraw/zinc/12/89/38/334128938.db2.gz ZAVIHRCEBKWNKF-UHFFFAOYSA-N 0 0 289.297 3.209 20 10 CGCDRN CC(C)c1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000045024037 519835936 /nfs/dbraw/zinc/83/59/36/519835936.db2.gz RSHCVJQMKNXQAI-UHFFFAOYSA-N 0 0 282.387 3.251 20 10 CGCDRN CCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396833 519861728 /nfs/dbraw/zinc/86/17/28/519861728.db2.gz KLKHKZYXTOGQMB-UHFFFAOYSA-N 0 0 274.408 3.435 20 10 CGCDRN c1csc(SCCCNc2nnc(C3CC3)s2)n1 ZINC000301761135 534524854 /nfs/dbraw/zinc/52/48/54/534524854.db2.gz FZOHLCJTDUNMIM-UHFFFAOYSA-N 0 0 298.462 3.466 20 10 CGCDRN CCN(CC)c1ccc(CNc2cnn(CC)c2)cc1 ZINC000057535585 520910608 /nfs/dbraw/zinc/91/06/08/520910608.db2.gz CVSMRBKFHOULDK-UHFFFAOYSA-N 0 0 272.396 3.361 20 10 CGCDRN CCN(Cc1c(C)noc1C)c1ccc(OC)c(OC)c1 ZINC000299295565 521278598 /nfs/dbraw/zinc/27/85/98/521278598.db2.gz WFTVFCWIOINCCO-UHFFFAOYSA-N 0 0 290.363 3.335 20 10 CGCDRN COCC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000101597359 521796139 /nfs/dbraw/zinc/79/61/39/521796139.db2.gz IHSKOIGPQLRWLL-MRVPVSSYSA-N 0 0 278.179 3.214 20 10 CGCDRN COC(=O)c1ccc([C@@H](C)Sc2nccs2)o1 ZINC000064669695 522163417 /nfs/dbraw/zinc/16/34/17/522163417.db2.gz XCNAZSJJPZWIIR-SSDOTTSWSA-N 0 0 269.347 3.376 20 10 CGCDRN CC[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000262150036 522174412 /nfs/dbraw/zinc/17/44/12/522174412.db2.gz BICMTHCOMQFTQA-OAHLLOKOSA-N 0 0 282.387 3.121 20 10 CGCDRN CN(C)c1ccc(OCCCOCC(F)(F)F)cc1 ZINC000277724648 522238333 /nfs/dbraw/zinc/23/83/33/522238333.db2.gz HEPWQKCPJZWOJD-UHFFFAOYSA-N 0 0 277.286 3.100 20 10 CGCDRN COC(=O)c1sc(Sc2nccs2)nc1Cl ZINC000040677084 522431545 /nfs/dbraw/zinc/43/15/45/522431545.db2.gz FPLOHSIZWFDKBD-UHFFFAOYSA-N 0 0 292.794 3.191 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286277749 522706533 /nfs/dbraw/zinc/70/65/33/522706533.db2.gz VQJKVKVRKGBJEL-HOTGVXAUSA-N 0 0 289.350 3.306 20 10 CGCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000120803653 523156854 /nfs/dbraw/zinc/15/68/54/523156854.db2.gz HOUNGKJHQGAULR-HNNXBMFYSA-N 0 0 299.418 3.004 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCF ZINC000294522967 524220005 /nfs/dbraw/zinc/22/00/05/524220005.db2.gz UNGSQKBSCHYBFV-UHFFFAOYSA-N 0 0 280.368 3.197 20 10 CGCDRN C[C@@H](CCNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000263767168 524492224 /nfs/dbraw/zinc/49/22/24/524492224.db2.gz SJAXKJFWNHQHEB-AWEZNQCLSA-N 0 0 298.386 3.385 20 10 CGCDRN Cc1cc(CN(C)Cc2cscn2)ccc1N(C)C ZINC000293482484 524665758 /nfs/dbraw/zinc/66/57/58/524665758.db2.gz MLYWBIJQIDVDRP-UHFFFAOYSA-N 0 0 275.421 3.150 20 10 CGCDRN COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000037061563 524774195 /nfs/dbraw/zinc/77/41/95/524774195.db2.gz QMDIFJFZWGJTHZ-JTQLQIEISA-N 0 0 288.303 3.482 20 10 CGCDRN Cc1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)nn1C ZINC000282307040 525465652 /nfs/dbraw/zinc/46/56/52/525465652.db2.gz SWJDUTVBMUTRQX-OAHLLOKOSA-N 0 0 298.434 3.180 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276964147 525504256 /nfs/dbraw/zinc/50/42/56/525504256.db2.gz SLCWTKABVZSBJN-MXWKQRLJSA-N 0 0 285.334 3.136 20 10 CGCDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1ccccc1O ZINC000269639756 525894509 /nfs/dbraw/zinc/89/45/09/525894509.db2.gz XCFJGAOVEAPZPL-STQMWFEESA-N 0 0 287.384 3.182 20 10 CGCDRN Cc1cnc(CN(C)c2ccc(OC(C)C)cc2)o1 ZINC000191578799 526007602 /nfs/dbraw/zinc/00/76/02/526007602.db2.gz OEKVPGFXDFIYNI-UHFFFAOYSA-N 0 0 260.337 3.407 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CCCC1 ZINC000096478907 526323558 /nfs/dbraw/zinc/32/35/58/526323558.db2.gz GBZGSORVZMCYLY-UHFFFAOYSA-N 0 0 290.190 3.094 20 10 CGCDRN O=C(c1ccc(NCc2ccccc2O)cc1)N1CCCC1 ZINC000280640608 526702055 /nfs/dbraw/zinc/70/20/55/526702055.db2.gz IMBSEKNPDYGIAS-UHFFFAOYSA-N 0 0 296.370 3.240 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccsc1 ZINC000280050225 526771423 /nfs/dbraw/zinc/77/14/23/526771423.db2.gz GHOFZAYTZZWMPS-LBPRGKRZSA-N 0 0 289.356 3.137 20 10 CGCDRN Cc1nc([C@@H](C)NCc2ccc(N(C)C)cc2)cs1 ZINC000036915395 527032808 /nfs/dbraw/zinc/03/28/08/527032808.db2.gz OFMCDPMZVWVXAB-LLVKDONJSA-N 0 0 275.421 3.368 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC000037816668 527475544 /nfs/dbraw/zinc/47/55/44/527475544.db2.gz GYLDMBQIVIIPCI-QGZVFWFLSA-N 0 0 286.419 3.383 20 10 CGCDRN CCCN(C(=O)/C=C/c1cnc(C)s1)c1cccnc1 ZINC000750122826 571740993 /nfs/dbraw/zinc/74/09/93/571740993.db2.gz OXJQPBMZFGXACL-VOTSOKGWSA-N 0 0 287.388 3.303 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)[nH]c1C ZINC000727168709 571729077 /nfs/dbraw/zinc/72/90/77/571729077.db2.gz WBNZSORLFWGBCS-UHFFFAOYSA-N 0 0 286.375 3.390 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC(C)(C)C)c1 ZINC000728984399 571852394 /nfs/dbraw/zinc/85/23/94/571852394.db2.gz PJJYETFXCVUZQN-JTQLQIEISA-N 0 0 265.353 3.014 20 10 CGCDRN CCOc1ccc(N(CC)CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000729474280 571920490 /nfs/dbraw/zinc/92/04/90/571920490.db2.gz DGCQDESSBHGSMB-AWEZNQCLSA-N 0 0 292.423 3.072 20 10 CGCDRN COc1ccc(COCCSc2nccs2)cc1 ZINC000730953548 572387839 /nfs/dbraw/zinc/38/78/39/572387839.db2.gz JDDALNQQXZULPZ-UHFFFAOYSA-N 0 0 281.402 3.461 20 10 CGCDRN CN(C)c1ccc(CNC(=O)NCC2(C)CCCC2)cc1 ZINC000731218097 572400937 /nfs/dbraw/zinc/40/09/37/572400937.db2.gz UPZFMVFQOSSOAH-UHFFFAOYSA-N 0 0 289.423 3.132 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732278197 572458257 /nfs/dbraw/zinc/45/82/57/572458257.db2.gz WSJPNVWGBZDLLJ-NXEZZACHSA-N 0 0 253.367 3.010 20 10 CGCDRN Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000740838611 572460317 /nfs/dbraw/zinc/46/03/17/572460317.db2.gz CAOSSXLELMTREB-OLZOCXBDSA-N 0 0 297.402 3.360 20 10 CGCDRN O=[N+]([O-])c1ncccc1NCc1c(O)ccc2c1CCCC2 ZINC000742419939 572579323 /nfs/dbraw/zinc/57/93/23/572579323.db2.gz SWYPMGFATRCXJK-UHFFFAOYSA-N 0 0 299.330 3.186 20 10 CGCDRN CC[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000734687616 572675144 /nfs/dbraw/zinc/67/51/44/572675144.db2.gz MKRGFMHXRKGWJP-HNNXBMFYSA-N 0 0 289.423 3.145 20 10 CGCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000743715853 572680325 /nfs/dbraw/zinc/68/03/25/572680325.db2.gz DNDBICVTCLEKNW-GFCCVEGCSA-N 0 0 289.400 3.432 20 10 CGCDRN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000743719609 572681414 /nfs/dbraw/zinc/68/14/14/572681414.db2.gz KXUDYTJQKVZETN-GFCCVEGCSA-N 0 0 299.370 3.284 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N(C)CC(C)C)cc1 ZINC000744844184 572778963 /nfs/dbraw/zinc/77/89/63/572778963.db2.gz BGVBRKWIYLLEQQ-UHFFFAOYSA-N 0 0 291.439 3.330 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000746273156 572863420 /nfs/dbraw/zinc/86/34/20/572863420.db2.gz SYKUBDMIJGJVOQ-FVQHAEBGSA-N 0 0 286.419 3.113 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)cn2)cc1OC ZINC000746448766 572871725 /nfs/dbraw/zinc/87/17/25/572871725.db2.gz DUQJZTNGZSEJOO-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN CC1=C(C(=O)NCCCSc2nccs2)CCC1 ZINC000747415268 572928308 /nfs/dbraw/zinc/92/83/08/572928308.db2.gz IEEVXZHSLSYWMU-UHFFFAOYSA-N 0 0 282.434 3.242 20 10 CGCDRN CCC(CC)[C@H](CCNC(=O)C1=CC(=O)CS1)OC ZINC000747618379 572936940 /nfs/dbraw/zinc/93/69/40/572936940.db2.gz WMYDNGIBUHFZJH-LBPRGKRZSA-N 0 0 285.409 3.025 20 10 CGCDRN O=C(NCc1cccc(Cl)c1)NCc1ccccc1O ZINC000748462813 572978010 /nfs/dbraw/zinc/97/80/10/572978010.db2.gz JQJDFEHVIHERIG-UHFFFAOYSA-N 0 0 290.750 3.045 20 10 CGCDRN CC(C)(CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748459248 572978095 /nfs/dbraw/zinc/97/80/95/572978095.db2.gz DPWXFFQUZNDXND-UHFFFAOYSA-N 0 0 298.386 3.169 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2O)[C@H]1C ZINC000748463593 572978165 /nfs/dbraw/zinc/97/81/65/572978165.db2.gz XNZNKAFDOXLHRX-DYEKYZERSA-N 0 0 276.380 3.016 20 10 CGCDRN CCC[C@@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000748638068 572981777 /nfs/dbraw/zinc/98/17/77/572981777.db2.gz CBISHIGSQJQDDF-GFCCVEGCSA-N 0 0 280.387 3.334 20 10 CGCDRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1ccccc1O ZINC000748960743 572987712 /nfs/dbraw/zinc/98/77/12/572987712.db2.gz PTOSMQYCKHDPCH-TZMCWYRMSA-N 0 0 290.407 3.406 20 10 CGCDRN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000833772422 604530090 /nfs/dbraw/zinc/53/00/90/604530090.db2.gz GMUIOPWBGCTQSA-MRXNPFEDSA-N 0 0 297.354 3.108 20 10 CGCDRN Cc1oc(C)c(C(=O)NCc2cccc(Cl)c2O)c1C ZINC000890757770 617814523 /nfs/dbraw/zinc/81/45/23/617814523.db2.gz LHJSCMNXIVXBTC-UHFFFAOYSA-N 0 0 293.750 3.494 20 10 CGCDRN CC(C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000307771487 618077947 /nfs/dbraw/zinc/07/79/47/618077947.db2.gz GMSBEBCFLCBRHM-LBPRGKRZSA-N 0 0 251.345 3.399 20 10 CGCDRN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(O)c2O)C1 ZINC000286197434 617627512 /nfs/dbraw/zinc/62/75/12/617627512.db2.gz BLZKYGBRJSOPTD-IUODEOHRSA-N 0 0 297.354 3.321 20 10 CGCDRN CC[C@H]([NH2+]CCc1ccn(C)n1)c1cccc(Cl)c1[O-] ZINC000806161271 617717688 /nfs/dbraw/zinc/71/76/88/617717688.db2.gz XQRDPKPCMFUHMD-AWEZNQCLSA-N 0 0 293.798 3.063 20 10 CGCDRN CC[C@@H](C)CCC(=O)NCc1cccc(Cl)c1O ZINC000890759741 617816886 /nfs/dbraw/zinc/81/68/86/617816886.db2.gz QFUSYKBAYTWHLT-SNVBAGLBSA-N 0 0 269.772 3.488 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761062 617817221 /nfs/dbraw/zinc/81/72/21/617817221.db2.gz JRFFWUUQXXLSSI-PWSUYJOCSA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761063 617817629 /nfs/dbraw/zinc/81/76/29/617817629.db2.gz JRFFWUUQXXLSSI-ZYHUDNBSSA-N 0 0 281.783 3.488 20 10 CGCDRN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000050369808 618097545 /nfs/dbraw/zinc/09/75/45/618097545.db2.gz HZKZAYSECYYKJH-VXGBXAGGSA-N 0 0 290.190 3.356 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000088432871 618124414 /nfs/dbraw/zinc/12/44/14/618124414.db2.gz RNWFCYGBOXDAEW-UHFFFAOYSA-N 0 0 287.285 3.075 20 10 CGCDRN C/C=C/C=C\C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000255357267 618215308 /nfs/dbraw/zinc/21/53/08/618215308.db2.gz CXEVQRWUAXIQIL-KNOZVELGSA-N 0 0 290.382 3.420 20 10 CGCDRN C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000308708477 618350582 /nfs/dbraw/zinc/35/05/82/618350582.db2.gz KZKKQLMKZCXYID-MEDUHNTESA-N 0 0 277.364 3.179 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)CCC2 ZINC000255423570 618443180 /nfs/dbraw/zinc/44/31/80/618443180.db2.gz UQZDILVPSKAPAB-CLFYSBASSA-N 0 0 278.355 3.383 20 10 CGCDRN Cc1ccc(O)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000900733280 620808950 /nfs/dbraw/zinc/80/89/50/620808950.db2.gz UCLODHDCDLSYSL-UHFFFAOYSA-N 0 0 298.386 3.005 20 10 CGCDRN C[C@@H]([NH2+]CCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000309160216 618643005 /nfs/dbraw/zinc/64/30/05/618643005.db2.gz YQJULLUATUFXAT-ZCFIWIBFSA-N 0 0 252.116 3.319 20 10 CGCDRN CCOCCCN(C)c1ccc(OC)c(Cl)c1 ZINC000121952833 618670782 /nfs/dbraw/zinc/67/07/82/618670782.db2.gz BWGJUUHDMOTHSG-UHFFFAOYSA-N 0 0 257.761 3.211 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000176774689 618705398 /nfs/dbraw/zinc/70/53/98/618705398.db2.gz MLGRIEVEVWAIBJ-IRXDYDNUSA-N 0 0 286.419 3.195 20 10 CGCDRN O=C(CCSc1nccs1)Nc1ccccc1F ZINC000052914266 618739013 /nfs/dbraw/zinc/73/90/13/618739013.db2.gz QMROWQAYJLDNEC-UHFFFAOYSA-N 0 0 282.365 3.403 20 10 CGCDRN Clc1cnc(SCCOC[C@H]2CCCO2)s1 ZINC000850000335 618753759 /nfs/dbraw/zinc/75/37/59/618753759.db2.gz QOUVWHRTCFSMKS-MRVPVSSYSA-N 0 0 279.814 3.084 20 10 CGCDRN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ncc[nH]1 ZINC000286052969 618762872 /nfs/dbraw/zinc/76/28/72/618762872.db2.gz LBWYNPDGFRIXLM-HNNXBMFYSA-N 0 0 298.434 3.497 20 10 CGCDRN Cc1ccc(C(=O)N([C@H](C)C(C)C)C2CC2)c(O)c1O ZINC000179452910 618785149 /nfs/dbraw/zinc/78/51/49/618785149.db2.gz JFYAFBZROGGZCD-LLVKDONJSA-N 0 0 277.364 3.055 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)NC2(C)CCC2)cc1 ZINC000179536836 618794926 /nfs/dbraw/zinc/79/49/26/618794926.db2.gz MYAFULCJDFZWNQ-UHFFFAOYSA-N 0 0 289.423 3.275 20 10 CGCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCc2ccccc21 ZINC000255870195 618825680 /nfs/dbraw/zinc/82/56/80/618825680.db2.gz WGUCFMXZBLDCAB-VURMDHGXSA-N 0 0 284.746 3.338 20 10 CGCDRN C[C@@H](NCc1cc[nH]n1)c1ccc(N2CCCCC2)cc1 ZINC000177954035 618852125 /nfs/dbraw/zinc/85/21/25/618852125.db2.gz WBCGESCLDLGHRM-CQSZACIVSA-N 0 0 284.407 3.251 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000310980202 618882887 /nfs/dbraw/zinc/88/28/87/618882887.db2.gz QVJZWFGRBCOCAH-WPRPVWTQSA-N 0 0 259.271 3.370 20 10 CGCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1cccc(C)c1C ZINC000930589369 619024322 /nfs/dbraw/zinc/02/43/22/619024322.db2.gz KRHKRRCYBFEERF-KTKRTIGZSA-N 0 0 283.375 3.103 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)c(O)c1 ZINC000185227526 619059160 /nfs/dbraw/zinc/05/91/60/619059160.db2.gz GDJRIWAHMNTUNO-JKSUJKDBSA-N 0 0 290.451 3.472 20 10 CGCDRN CC(C)Oc1ccc(N(C)CC(=O)N[C@H](C)C(C)C)cc1 ZINC000191582325 619111013 /nfs/dbraw/zinc/11/10/13/619111013.db2.gz LXSZUNBEKHNZSS-CQSZACIVSA-N 0 0 292.423 3.071 20 10 CGCDRN CSCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162654517 619123968 /nfs/dbraw/zinc/12/39/68/619123968.db2.gz SIBNKROYCQOSGJ-UHFFFAOYSA-N 0 0 259.802 3.278 20 10 CGCDRN Oc1ccc(Cl)c(F)c1CNc1ncccc1F ZINC000195309892 619148522 /nfs/dbraw/zinc/14/85/22/619148522.db2.gz AJVLMYOWWPXVGT-UHFFFAOYSA-N 0 0 270.666 3.331 20 10 CGCDRN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccccc1 ZINC000013134774 619162536 /nfs/dbraw/zinc/16/25/36/619162536.db2.gz FVGSOBLLLYZBRJ-ZROIWOOFSA-N 0 0 298.367 3.418 20 10 CGCDRN CCC1(CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000893476814 619188393 /nfs/dbraw/zinc/18/83/93/619188393.db2.gz AFLMFRCNVYBHJY-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000185227363 625324999 /nfs/dbraw/zinc/32/49/99/625324999.db2.gz WTJHTBXBNBEZOR-UONOGXRCSA-N 0 0 294.414 3.302 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1OCCO2 ZINC000840930642 619224573 /nfs/dbraw/zinc/22/45/73/619224573.db2.gz FINQEZFHJCDBET-UHFFFAOYSA-N 0 0 298.386 3.444 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(O)c(F)c2)cc1OC ZINC000893574021 619226770 /nfs/dbraw/zinc/22/67/70/619226770.db2.gz SZKCOTSVYCSRTR-UHFFFAOYSA-N 0 0 291.322 3.185 20 10 CGCDRN Oc1ccccc1CNc1ncccc1Br ZINC000162975598 619244113 /nfs/dbraw/zinc/24/41/13/619244113.db2.gz HQYARINATWYLBH-UHFFFAOYSA-N 0 0 279.137 3.162 20 10 CGCDRN COc1cc(C)cc(CNc2cccc(C)n2)c1O ZINC000894196927 619409887 /nfs/dbraw/zinc/40/98/87/619409887.db2.gz ITIBIPYTPFDMEP-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN COc1cc(C)cc(CNc2ccc3c(c2)CCO3)c1O ZINC000894275425 619461039 /nfs/dbraw/zinc/46/10/39/619461039.db2.gz GOOKLFJVDMJIHV-UHFFFAOYSA-N 0 0 285.343 3.256 20 10 CGCDRN CCc1ccc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000048606753 619512260 /nfs/dbraw/zinc/51/22/60/619512260.db2.gz GMAKSFRGNRDONC-UHFFFAOYSA-N 0 0 275.373 3.288 20 10 CGCDRN COc1ccc(CSc2nccs2)c(OC)c1 ZINC000895122814 619741103 /nfs/dbraw/zinc/74/11/03/619741103.db2.gz FEVNSPXGNLRWNI-UHFFFAOYSA-N 0 0 267.375 3.453 20 10 CGCDRN CC(C)CSCCCNC(=O)Nc1ccc(N)cc1 ZINC000841297580 619832346 /nfs/dbraw/zinc/83/23/46/619832346.db2.gz GRAHQZRHZPQSPO-UHFFFAOYSA-N 0 0 281.425 3.170 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844430 619892758 /nfs/dbraw/zinc/89/27/58/619892758.db2.gz FOTGYTBAMMZKMT-ZUZCIYMTSA-N 0 0 299.773 3.186 20 10 CGCDRN CC(C)(C)c1cc(NCc2c(O)cccc2F)ncn1 ZINC000895833369 619894199 /nfs/dbraw/zinc/89/41/99/619894199.db2.gz WBWIUUMGWLTULI-UHFFFAOYSA-N 0 0 275.327 3.231 20 10 CGCDRN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000896755272 620056718 /nfs/dbraw/zinc/05/67/18/620056718.db2.gz AGRUXZIBOYXNAB-DTORHVGOSA-N 0 0 291.372 3.041 20 10 CGCDRN O=C(CSc1ccccc1F)c1ccc(O)c(O)c1 ZINC000034980611 620210500 /nfs/dbraw/zinc/21/05/00/620210500.db2.gz WLEDPBLKLWMREQ-UHFFFAOYSA-N 0 0 278.304 3.212 20 10 CGCDRN Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109771054 620321805 /nfs/dbraw/zinc/32/18/05/620321805.db2.gz CAESZNSACQHAAF-AWEZNQCLSA-N 0 0 298.386 3.160 20 10 CGCDRN CC1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000224176875 620328800 /nfs/dbraw/zinc/32/88/00/620328800.db2.gz QYRNKLNSKADVNP-UHFFFAOYSA-N 0 0 270.170 3.044 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(Cl)cc1[O-] ZINC000841749033 620369485 /nfs/dbraw/zinc/36/94/85/620369485.db2.gz BFIDZRJNSALYPO-WZRBSPASSA-N 0 0 283.799 3.247 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H]2CCOC23CCCCC3)ccc(F)c1F ZINC000897727059 620421237 /nfs/dbraw/zinc/42/12/37/620421237.db2.gz GOWNEYNKEIHHIE-CYBMUJFWSA-N 0 0 297.345 3.252 20 10 CGCDRN CC1(C)CC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897757561 620424040 /nfs/dbraw/zinc/42/40/40/620424040.db2.gz DZGVEQKPKDBDDY-ZDUSSCGKSA-N 0 0 291.372 3.231 20 10 CGCDRN CC(C)(C)c1coc(CNCc2cc(F)ccc2O)n1 ZINC000897944788 620453508 /nfs/dbraw/zinc/45/35/08/620453508.db2.gz SWKBLHPYRSKZLY-UHFFFAOYSA-N 0 0 278.327 3.107 20 10 CGCDRN C[C@H](CSCCF)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898214618 620488365 /nfs/dbraw/zinc/48/83/65/620488365.db2.gz FVBDQWJYUXOUHN-SECBINFHSA-N 0 0 277.792 3.226 20 10 CGCDRN C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000927146554 620604114 /nfs/dbraw/zinc/60/41/14/620604114.db2.gz FAMXMZVXRUDLEL-IWSPIJDZSA-N 0 0 290.190 3.121 20 10 CGCDRN Cc1cn(C)nc1CSc1ncc(-c2ccccc2)n1C ZINC000901425881 620884024 /nfs/dbraw/zinc/88/40/24/620884024.db2.gz XMUJXRBWTRZEDE-UHFFFAOYSA-N 0 0 298.415 3.421 20 10 CGCDRN CC(C)n1cncc1/C=C1/c2cccc3c2N(CCC3)C1=O ZINC000901523052 620913107 /nfs/dbraw/zinc/91/31/07/620913107.db2.gz UJNUFKZVSTWKKZ-SXGWCWSVSA-N 0 0 293.370 3.297 20 10 CGCDRN Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1F ZINC000042879300 621886291 /nfs/dbraw/zinc/88/62/91/621886291.db2.gz VVLFNXSMVOYMKI-UHFFFAOYSA-N 0 0 275.279 3.181 20 10 CGCDRN CC1(C)C(C)(C)C1(C)NC(=O)Nc1ccc(N)cc1 ZINC000904501041 621927589 /nfs/dbraw/zinc/92/75/89/621927589.db2.gz QWROOZAPSYFCAP-UHFFFAOYSA-N 0 0 261.369 3.215 20 10 CGCDRN Nc1ccc(Cc2noc(C[C@@H]3CCCC3(F)F)n2)cc1 ZINC000904504694 621928319 /nfs/dbraw/zinc/92/83/19/621928319.db2.gz RURGBCZRQLVQGS-NSHDSACASA-N 0 0 293.317 3.221 20 10 CGCDRN CC(C)c1nsc(NCc2cc(F)cc(F)c2O)n1 ZINC000905419708 622071220 /nfs/dbraw/zinc/07/12/20/622071220.db2.gz RHYFSGKUDGISQW-UHFFFAOYSA-N 0 0 285.319 3.257 20 10 CGCDRN Oc1ccc(Cl)c(F)c1CNc1nnc(C2CCC2)o1 ZINC000905429505 622074462 /nfs/dbraw/zinc/07/44/62/622074462.db2.gz VPAMLMVTXZBHHG-UHFFFAOYSA-N 0 0 297.717 3.447 20 10 CGCDRN Cc1cc(O)c(CNc2nnc(C3CCC3)o2)cc1C ZINC000905427977 622074572 /nfs/dbraw/zinc/07/45/72/622074572.db2.gz ICMUHABWXIXRCU-UHFFFAOYSA-N 0 0 273.336 3.272 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cn(C3CC3)nn2)cc1 ZINC000906292725 622213854 /nfs/dbraw/zinc/21/38/54/622213854.db2.gz JIELTKPBCVSDGR-UHFFFAOYSA-N 0 0 286.379 3.037 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H]2CCC=CCCC2)c1O ZINC000907059810 622279941 /nfs/dbraw/zinc/27/99/41/622279941.db2.gz HEOGPWHHBGMNEB-CYBMUJFWSA-N 0 0 289.375 3.154 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@H](O)Cc1ccccc1 ZINC000027960425 622439280 /nfs/dbraw/zinc/43/92/80/622439280.db2.gz ZKCLYXFUDHPZIJ-KRWDZBQOSA-N 0 0 297.398 3.051 20 10 CGCDRN CCc1ccc([C@@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910955188 622510223 /nfs/dbraw/zinc/51/02/23/622510223.db2.gz OMBKDVFYPSKTNN-GFCCVEGCSA-N 0 0 299.370 3.080 20 10 CGCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)C1CCCCC1 ZINC000910953837 622510228 /nfs/dbraw/zinc/51/02/28/622510228.db2.gz GOXZLPNDNPBXIA-GFCCVEGCSA-N 0 0 291.391 3.321 20 10 CGCDRN O=C(NCc1ccc2cccnc2c1O)C1(C2CC2)CCC1 ZINC000911261200 622528067 /nfs/dbraw/zinc/52/80/67/622528067.db2.gz DFQKODUWIYLGEW-UHFFFAOYSA-N 0 0 296.370 3.137 20 10 CGCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000150877889 622690000 /nfs/dbraw/zinc/69/00/00/622690000.db2.gz VWDHRXBMHBGOEL-HOCLYGCPSA-N 0 0 289.423 3.131 20 10 CGCDRN COc1cccc(CNC(=O)Nc2ccc(C)cc2)c1O ZINC000057881778 622890869 /nfs/dbraw/zinc/89/08/69/622890869.db2.gz JWHZKQYFVFVOIV-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCCCC1 ZINC000157549649 622912893 /nfs/dbraw/zinc/91/28/93/622912893.db2.gz OGVNJYPNWFROOU-LBPRGKRZSA-N 0 0 291.391 3.115 20 10 CGCDRN CCN(CC)c1ccc(NCc2cc(F)ccc2O)cn1 ZINC000226617312 622986089 /nfs/dbraw/zinc/98/60/89/622986089.db2.gz XYXZAZCTDAEOGM-UHFFFAOYSA-N 0 0 289.354 3.385 20 10 CGCDRN COc1cccc(CNC(=O)c2cc3ccccc3o2)c1O ZINC000170795854 623099800 /nfs/dbraw/zinc/09/98/00/623099800.db2.gz DETFSYZZCVSMMG-UHFFFAOYSA-N 0 0 297.310 3.077 20 10 CGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCSC1 ZINC000230705259 623265171 /nfs/dbraw/zinc/26/51/71/623265171.db2.gz LLFCBJPATPSTDM-SECBINFHSA-N 0 0 278.204 3.294 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(Cl)c(F)c1 ZINC000231611958 623333373 /nfs/dbraw/zinc/33/33/73/623333373.db2.gz AYCKDQKEQOMWSG-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN C/C=C\C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000312158878 623485638 /nfs/dbraw/zinc/48/56/38/623485638.db2.gz XYUXGHPLNBDALL-CLTKARDFSA-N 0 0 272.392 3.211 20 10 CGCDRN CCOc1ccc(N(C)CCOC2CCSCC2)cc1 ZINC000929697381 623512406 /nfs/dbraw/zinc/51/24/06/623512406.db2.gz SQZHAYRLHINOAI-UHFFFAOYSA-N 0 0 295.448 3.434 20 10 CGCDRN C[C@@H](NC(=O)C(C)(C)Nc1ccccc1)c1ccccc1O ZINC000913763391 623576199 /nfs/dbraw/zinc/57/61/99/623576199.db2.gz FKHJGRJQSIJSJY-CYBMUJFWSA-N 0 0 298.386 3.460 20 10 CGCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccc(C)cc1 ZINC000914475692 623808624 /nfs/dbraw/zinc/80/86/24/623808624.db2.gz SQNJDXYAVDQEDU-FLIBITNWSA-N 0 0 266.344 3.456 20 10 CGCDRN C/C=C/C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000914499216 623815287 /nfs/dbraw/zinc/81/52/87/623815287.db2.gz DVYNFCBAPPNMSL-GQCTYLIASA-N 0 0 298.386 3.451 20 10 CGCDRN CCc1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC000763166512 623865703 /nfs/dbraw/zinc/86/57/03/623865703.db2.gz ZRLIKBTVMPHECZ-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN Cc1cc(C(=O)NCCCF)c(C)n1-c1cccc(C)c1 ZINC000154155835 624209288 /nfs/dbraw/zinc/20/92/88/624209288.db2.gz PFXZFYKTFDBVFP-UHFFFAOYSA-N 0 0 288.366 3.492 20 10 CGCDRN CC(C)(C)c1cnc(SCC2(O)CCOCC2)s1 ZINC000917217177 624251730 /nfs/dbraw/zinc/25/17/30/624251730.db2.gz JAHPXIQAZXDCIA-UHFFFAOYSA-N 0 0 287.450 3.074 20 10 CGCDRN C[C@H](Sc1nccs1)C(=O)Nc1cccnc1Cl ZINC000919677003 624416598 /nfs/dbraw/zinc/41/65/98/624416598.db2.gz RIIOPOBAZARXBY-ZETCQYMHSA-N 0 0 299.808 3.311 20 10 CGCDRN O=c1[nH]c2ccccc2n1CCCSc1nccs1 ZINC000919675429 624416659 /nfs/dbraw/zinc/41/66/59/624416659.db2.gz GVHSCAWNZLEHMD-UHFFFAOYSA-N 0 0 291.401 3.381 20 10 CGCDRN COC(=O)[C@@H](Sc1nccs1)c1ccccc1 ZINC000919675731 624416818 /nfs/dbraw/zinc/41/68/18/624416818.db2.gz YBMFGHRYXXPNDT-JTQLQIEISA-N 0 0 265.359 3.150 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]2C)cc1 ZINC000920039251 624440760 /nfs/dbraw/zinc/44/07/60/624440760.db2.gz FJIACCVZFUXVOS-GFCCVEGCSA-N 0 0 268.360 3.329 20 10 CGCDRN CCOc1ccc(C#N)cc1NCc1cccc(OC)c1O ZINC000181420337 624858691 /nfs/dbraw/zinc/85/86/91/624858691.db2.gz SEDOUYYZEYSCQG-UHFFFAOYSA-N 0 0 298.342 3.283 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(C)C)CC2)c(O)c1O ZINC000182450711 625002862 /nfs/dbraw/zinc/00/28/62/625002862.db2.gz AYIUYFSCQVNXKO-CYBMUJFWSA-N 0 0 291.391 3.305 20 10 CGCDRN CCCn1cc(N[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000186339873 625790437 /nfs/dbraw/zinc/79/04/37/625790437.db2.gz SPISCEZURXAASH-LLVKDONJSA-N 0 0 275.352 3.180 20 10 CGCDRN C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCO3)c2nccn21 ZINC000922163423 625977533 /nfs/dbraw/zinc/97/75/33/625977533.db2.gz ACBQIOIYBXIBDS-IUODEOHRSA-N 0 0 283.375 3.004 20 10 CGCDRN c1cnc([C@H](NCc2ccc3c(c2)CCCO3)C2CC2)nc1 ZINC000922576497 626014110 /nfs/dbraw/zinc/01/41/10/626014110.db2.gz BMWRPGGMCYXMRT-QGZVFWFLSA-N 0 0 295.386 3.043 20 10 CGCDRN COC(C)(C)[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000922580841 626014284 /nfs/dbraw/zinc/01/42/84/626014284.db2.gz HZTDNEKTZCUMRN-MRVPVSSYSA-N 0 0 275.751 3.088 20 10 CGCDRN C[C@@H]1Cc2cc(NCc3cc4c(cc3O)OCO4)ccc2O1 ZINC000922908724 626101074 /nfs/dbraw/zinc/10/10/74/626101074.db2.gz MMAPBOCUTVESQL-SNVBAGLBSA-N 0 0 299.326 3.056 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C3CC3)nc2)cc1F ZINC000839002751 626295253 /nfs/dbraw/zinc/29/52/53/626295253.db2.gz ANXDTFBVHBTFJT-UHFFFAOYSA-N 0 0 287.338 3.138 20 10 CGCDRN Oc1ccccc1CNc1cccc(-c2nnco2)c1 ZINC000020187218 634501828 /nfs/dbraw/zinc/50/18/28/634501828.db2.gz NWTZEUKTMMVRBO-UHFFFAOYSA-N 0 0 267.288 3.054 20 10 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ZINC000779885705 628440388 /nfs/dbraw/zinc/44/03/88/628440388.db2.gz YZBFIQGWJISGBC-YPKPFQOOSA-N 0 0 286.419 3.432 20 10 CGCDRN CC/C(C)=C(\C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000779967276 628446665 /nfs/dbraw/zinc/44/66/65/628446665.db2.gz HUYYIRKGOFUQGD-OUKQBFOZSA-N 0 0 288.391 3.224 20 10 CGCDRN COc1ccc(N(C)Cc2ccn(C)c2)cc1Cl ZINC000780778137 628516114 /nfs/dbraw/zinc/51/61/14/628516114.db2.gz CSKLJAJBZWEGSA-UHFFFAOYSA-N 0 0 264.756 3.324 20 10 CGCDRN COc1cccc(CN2CCc3ccc(C)cc32)c1O ZINC000780772400 628516405 /nfs/dbraw/zinc/51/64/05/628516405.db2.gz KZJAKOFNITXCQK-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN CCOc1ccc(N(C)C[C@@H]2CCO[C@H](C)C2)cc1 ZINC000780774216 628516440 /nfs/dbraw/zinc/51/64/40/628516440.db2.gz IHGQLFYTMCQKAE-ZIAGYGMSSA-N 0 0 263.381 3.337 20 10 CGCDRN Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000780900989 628522763 /nfs/dbraw/zinc/52/27/63/628522763.db2.gz FNMRZNGPFYFJNY-CYBMUJFWSA-N 0 0 299.370 3.076 20 10 CGCDRN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)C1=CC(=O)CS1 ZINC000839804648 628548307 /nfs/dbraw/zinc/54/83/07/628548307.db2.gz BYJMNMNDBIXBGY-CMPLNLGQSA-N 0 0 265.378 3.010 20 10 CGCDRN CCc1ccccc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000782296035 628635383 /nfs/dbraw/zinc/63/53/83/628635383.db2.gz NBHKKORHKGGNGN-CSKARUKUSA-N 0 0 298.338 3.417 20 10 CGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@H]2CCCC[C@@H]12 ZINC000782877803 628665152 /nfs/dbraw/zinc/66/51/52/628665152.db2.gz HELUKANCWKWVQV-USWWRNFRSA-N 0 0 265.378 3.104 20 10 CGCDRN Oc1ccc(F)cc1CNc1cnc2c(c1)CCCC2 ZINC000783598440 628730238 /nfs/dbraw/zinc/73/02/38/628730238.db2.gz RONWTCSOSAKSAA-UHFFFAOYSA-N 0 0 272.323 3.417 20 10 CGCDRN CCOc1ccccc1N(C)Cc1cc(OC)ccc1O ZINC000783695150 628741011 /nfs/dbraw/zinc/74/10/11/628741011.db2.gz JYCWIUUCCPLOCJ-UHFFFAOYSA-N 0 0 287.359 3.436 20 10 CGCDRN CCN(CC)c1ccc(C[N@H+](C)CCCCC(=O)[O-])cc1 ZINC000783735928 628743696 /nfs/dbraw/zinc/74/36/96/628743696.db2.gz PZFPJHCJAAOYBG-UHFFFAOYSA-N 0 0 292.423 3.220 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1ccccc1O ZINC000875160430 634680692 /nfs/dbraw/zinc/68/06/92/634680692.db2.gz BJNLLYGQFAHXBA-OLZOCXBDSA-N 0 0 274.364 3.109 20 10 CGCDRN C[C@@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)CC1 ZINC000786005770 628907392 /nfs/dbraw/zinc/90/73/92/628907392.db2.gz XMRCEJDKMQXQCG-NXEZZACHSA-N 0 0 253.367 3.152 20 10 CGCDRN CC(C)CC1(CNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875365815 634694026 /nfs/dbraw/zinc/69/40/26/634694026.db2.gz BHJHCSNZOYYYEL-UHFFFAOYSA-N 0 0 288.391 3.244 20 10 CGCDRN COC(C)(C)CCOc1ccc(N2CCCC2)cc1 ZINC000786746183 628960788 /nfs/dbraw/zinc/96/07/88/628960788.db2.gz DGPLOYZGTKDNDA-UHFFFAOYSA-N 0 0 263.381 3.481 20 10 CGCDRN CC[C@H](NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000786836215 628966610 /nfs/dbraw/zinc/96/66/10/628966610.db2.gz KRKVKJAZFDOHME-JTQLQIEISA-N 0 0 267.678 3.476 20 10 CGCDRN CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788629373 629070113 /nfs/dbraw/zinc/07/01/13/629070113.db2.gz AVFPMXYUDVAGAG-NXEZZACHSA-N 0 0 291.313 3.223 20 10 CGCDRN CCCCC[C@H](NCc1cc(C)c(C)cc1O)C(=O)OC ZINC000789574656 629145764 /nfs/dbraw/zinc/14/57/64/629145764.db2.gz DKZOBVHRQNGMFL-HNNXBMFYSA-N 0 0 293.407 3.221 20 10 CGCDRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000789862667 629170759 /nfs/dbraw/zinc/17/07/59/629170759.db2.gz KXXNEFFQIOFTPC-KPUOMAHNSA-N 0 0 289.375 3.004 20 10 CGCDRN COc1ccc(NCc2c(O)ccc(Cl)c2F)nc1 ZINC000790240495 629196592 /nfs/dbraw/zinc/19/65/92/629196592.db2.gz GQZSVBQEJYCGJI-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790993751 629248169 /nfs/dbraw/zinc/24/81/69/629248169.db2.gz YKNHLFDZHQGXOM-RKDXNWHRSA-N 0 0 257.736 3.463 20 10 CGCDRN C=C/C(C)=C\CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000791208547 629261774 /nfs/dbraw/zinc/26/17/74/629261774.db2.gz JXBYNNGVUYJDEJ-UUASQNMZSA-N 0 0 284.403 3.425 20 10 CGCDRN CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)C(F)F ZINC000792241082 629351896 /nfs/dbraw/zinc/35/18/96/629351896.db2.gz IWWBAJPDKIIRHL-UHFFFAOYSA-N 0 0 297.345 3.179 20 10 CGCDRN Cc1ccc(CCC[N@@H+](C)Cc2ccccc2O)cn1 ZINC000792787260 629381801 /nfs/dbraw/zinc/38/18/01/629381801.db2.gz ASHRIIPHMOZLSY-UHFFFAOYSA-N 0 0 270.376 3.160 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@]2(C)CCc3ccccc32)c1 ZINC000862754976 629428963 /nfs/dbraw/zinc/42/89/63/629428963.db2.gz MNAGOEUAPZSCKL-LJQANCHMSA-N 0 0 295.382 3.221 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000862753937 629429014 /nfs/dbraw/zinc/42/90/14/629429014.db2.gz MBIMRHPTSFERFN-CYBMUJFWSA-N 0 0 273.376 3.287 20 10 CGCDRN CC[C@H](CC(C)C)C(=O)NCc1cc(C)ccc1O ZINC000862754601 629429052 /nfs/dbraw/zinc/42/90/52/629429052.db2.gz HAAMBCWERDFSGV-CYBMUJFWSA-N 0 0 263.381 3.389 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C2CC2)O1 ZINC000793219891 629430331 /nfs/dbraw/zinc/43/03/31/629430331.db2.gz PJMUCRVACHITAB-MEBBXXQBSA-N 0 0 281.783 3.045 20 10 CGCDRN CCCC(O)(CCC)CC(=O)NCc1cc(C)ccc1O ZINC000862758216 629431031 /nfs/dbraw/zinc/43/10/31/629431031.db2.gz SRTJPZYRXGKGHI-UHFFFAOYSA-N 0 0 293.407 3.038 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)c2ccsc2)c1 ZINC000862760510 629431988 /nfs/dbraw/zinc/43/19/88/629431988.db2.gz SYJPPMZDDVXSRH-NSHDSACASA-N 0 0 275.373 3.182 20 10 CGCDRN C/C=C\CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000875874968 634742908 /nfs/dbraw/zinc/74/29/08/634742908.db2.gz CSPLWYOLOFPXTD-PLNGDYQASA-N 0 0 287.407 3.003 20 10 CGCDRN Cc1csc2ncnc(NCc3ccc(O)c(O)c3)c12 ZINC000794783695 629576951 /nfs/dbraw/zinc/57/69/51/629576951.db2.gz PPYCAAHKKSSZJA-UHFFFAOYSA-N 0 0 287.344 3.023 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[C@H](C)C2)c1 ZINC000794840288 629585983 /nfs/dbraw/zinc/58/59/83/629585983.db2.gz IBGVOZRTYVDDTE-AVGNSLFASA-N 0 0 291.391 3.266 20 10 CGCDRN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863546161 629602883 /nfs/dbraw/zinc/60/28/83/629602883.db2.gz FERBLTWMYQGOPQ-DKCNOQQISA-N 0 0 289.206 3.100 20 10 CGCDRN CC(C)c1ccccc1NC(=O)CN(C)c1ccc(N)cc1 ZINC000863556772 629605135 /nfs/dbraw/zinc/60/51/35/629605135.db2.gz WSNOSKNBIROYEV-UHFFFAOYSA-N 0 0 297.402 3.467 20 10 CGCDRN Cc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000014701819 629605450 /nfs/dbraw/zinc/60/54/50/629605450.db2.gz ZIYXQVGEYYFVDK-UHFFFAOYSA-N 0 0 296.414 3.310 20 10 CGCDRN CCC[C@@H](OCC)c1nc(Cc2ccc(N)cc2)no1 ZINC000863655772 629635314 /nfs/dbraw/zinc/63/53/14/629635314.db2.gz JGEGZBPUEDODPF-CYBMUJFWSA-N 0 0 275.352 3.120 20 10 CGCDRN C[C@H](Cc1nc(Cc2ccc(N)cc2)no1)c1ccco1 ZINC000863656434 629635586 /nfs/dbraw/zinc/63/55/86/629635586.db2.gz QGWABCLXOUAYHH-LLVKDONJSA-N 0 0 283.331 3.182 20 10 CGCDRN COc1ccc(CNc2nc3cc(C)ccc3o2)c(O)c1 ZINC000795284947 629656984 /nfs/dbraw/zinc/65/69/84/629656984.db2.gz NYMLHCYAJGPQTD-UHFFFAOYSA-N 0 0 284.315 3.463 20 10 CGCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCC(C)(C)C1 ZINC000796050243 629739769 /nfs/dbraw/zinc/73/97/69/629739769.db2.gz ADOKIJZXZLSSOB-SECBINFHSA-N 0 0 253.367 3.104 20 10 CGCDRN C[C@@]1(CC[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@@]1(F)Cl ZINC000864051802 629745673 /nfs/dbraw/zinc/74/56/73/629745673.db2.gz SHKFJVLZRSHYDY-OLZOCXBDSA-N 0 0 293.716 3.465 20 10 CGCDRN CCCNC(=O)CN(CCC(C)C)c1ccc(OC)cc1 ZINC000796503714 629790994 /nfs/dbraw/zinc/79/09/94/629790994.db2.gz IONOXOGQCPMODQ-UHFFFAOYSA-N 0 0 292.423 3.074 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000796673984 629814007 /nfs/dbraw/zinc/81/40/07/629814007.db2.gz DCEOFPAEVDNUTN-OAHLLOKOSA-N 0 0 299.349 3.420 20 10 CGCDRN CC[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000796696088 629815831 /nfs/dbraw/zinc/81/58/31/629815831.db2.gz RXKZHPIVPRFXDB-XJKSGUPXSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000796762378 629828847 /nfs/dbraw/zinc/82/88/47/629828847.db2.gz OXHGFWDODFFVKD-GOEBONIOSA-N 0 0 292.398 3.056 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000796871198 629852065 /nfs/dbraw/zinc/85/20/65/629852065.db2.gz DUXYVCPNYFTQSR-CMPLNLGQSA-N 0 0 295.276 3.149 20 10 CGCDRN CCCCCCn1cc(COc2ccc(N)cc2)nn1 ZINC000864624903 629880342 /nfs/dbraw/zinc/88/03/42/629880342.db2.gz YBPLRLSCWRPIQD-UHFFFAOYSA-N 0 0 274.368 3.020 20 10 CGCDRN Cc1cc(NCc2cccc(Cl)c2O)ccc1C(N)=O ZINC000798084908 630020825 /nfs/dbraw/zinc/02/08/25/630020825.db2.gz KBIXSMQAMVZIST-UHFFFAOYSA-N 0 0 290.750 3.065 20 10 CGCDRN Cc1ccc(O)c(CNc2ncccc2Br)c1 ZINC000798188672 630031753 /nfs/dbraw/zinc/03/17/53/630031753.db2.gz CCCJUMAMUUGEDL-UHFFFAOYSA-N 0 0 293.164 3.470 20 10 CGCDRN C[C@@H](O)CCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000798196631 630033109 /nfs/dbraw/zinc/03/31/09/630033109.db2.gz LQFUPJWGVKFGOZ-SNVBAGLBSA-N 0 0 289.297 3.109 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccoc1C1CC1 ZINC000798441380 630057479 /nfs/dbraw/zinc/05/74/79/630057479.db2.gz QJKKWHKYMUPTQI-UHFFFAOYSA-N 0 0 298.386 3.461 20 10 CGCDRN CSCCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000798963509 630130965 /nfs/dbraw/zinc/13/09/65/630130965.db2.gz GRVDNYSCHBFQIN-UHFFFAOYSA-N 0 0 277.792 3.370 20 10 CGCDRN CCN(Cc1cnc(Cl)cn1)c1ccc(OC)cc1 ZINC000799128950 630149491 /nfs/dbraw/zinc/14/94/91/630149491.db2.gz HCSHSTCZQFFQEL-UHFFFAOYSA-N 0 0 277.755 3.165 20 10 CGCDRN C[C@H]1CC=C(C(=O)NCCCSc2nccs2)CC1 ZINC000836698621 634792195 /nfs/dbraw/zinc/79/21/95/634792195.db2.gz QMPFPDQBLWDTCL-NSHDSACASA-N 0 0 296.461 3.488 20 10 CGCDRN CC(C)c1ncc(CN(C)Cc2cc(F)ccc2O)cn1 ZINC000799736843 630228557 /nfs/dbraw/zinc/22/85/57/630228557.db2.gz IFYWFBVRCWZPJA-UHFFFAOYSA-N 0 0 289.354 3.077 20 10 CGCDRN CC[C@@H]1C[C@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921660 630297368 /nfs/dbraw/zinc/29/73/68/630297368.db2.gz INZMLUAIRYSXKD-CKEIUWERSA-N 0 0 288.435 3.154 20 10 CGCDRN Cc1cc[nH]c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839922640 630306002 /nfs/dbraw/zinc/30/60/02/630306002.db2.gz XHVLSIQWQJEZCK-AWEZNQCLSA-N 0 0 299.418 3.059 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCc3cc(F)ccc32)c1 ZINC000801077187 630323129 /nfs/dbraw/zinc/32/31/29/630323129.db2.gz ZZGLKZHORWQAJI-GORDUTHDSA-N 0 0 282.318 3.132 20 10 CGCDRN Cc1ccncc1/C=C/C(=O)N1CCc2cc(F)ccc21 ZINC000801077017 630323248 /nfs/dbraw/zinc/32/32/48/630323248.db2.gz YBDWOTOCJUIORR-GORDUTHDSA-N 0 0 282.318 3.132 20 10 CGCDRN CC(C)SCCN1CCOc2cc(N(C)C)ccc21 ZINC000801525407 630341244 /nfs/dbraw/zinc/34/12/44/630341244.db2.gz JZTFXBCWMVEMRK-UHFFFAOYSA-N 0 0 280.437 3.093 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]cc1C ZINC000801548420 630343117 /nfs/dbraw/zinc/34/31/17/630343117.db2.gz FLROHYXUOGEMFY-UHFFFAOYSA-N 0 0 286.375 3.471 20 10 CGCDRN CN(C(=O)c1cccc(O)c1O)C(C)(C)c1ccccc1 ZINC000803617770 630489680 /nfs/dbraw/zinc/48/96/80/630489680.db2.gz KOHPVJZTYUSQNY-UHFFFAOYSA-N 0 0 285.343 3.105 20 10 CGCDRN CCc1nc(C)cc(NCc2ccc(N(C)C)cc2)n1 ZINC000804329950 630521304 /nfs/dbraw/zinc/52/13/04/630521304.db2.gz FPOVHEXGWHPWBG-UHFFFAOYSA-N 0 0 270.380 3.026 20 10 CGCDRN CC[C@H]([NH2+][C@@H](CO)CC(F)F)c1cccc(Cl)c1[O-] ZINC000806161238 630551933 /nfs/dbraw/zinc/55/19/33/630551933.db2.gz IIFBYYKTCNOSSA-KCJUWKMLSA-N 0 0 293.741 3.102 20 10 CGCDRN C[C@@H]([NH2+]CCC1(F)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806173135 630553252 /nfs/dbraw/zinc/55/32/52/630553252.db2.gz GHVTZQNXSACBSY-SNVBAGLBSA-N 0 0 282.315 3.233 20 10 CGCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCC2(F)F)c1 ZINC000806179804 630553493 /nfs/dbraw/zinc/55/34/93/630553493.db2.gz HRIXJNNGMTVIAW-TVQRCGJNSA-N 0 0 299.317 3.017 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H]1C ZINC000807555444 630592793 /nfs/dbraw/zinc/59/27/93/630592793.db2.gz ASHGIRFAMRVFJM-OCCSQVGLSA-N 0 0 276.380 3.112 20 10 CGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1O)CCC2 ZINC000807897999 630604592 /nfs/dbraw/zinc/60/45/92/630604592.db2.gz NLQNXQUXSGLRBO-HNNXBMFYSA-N 0 0 297.354 3.214 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1C(C)(C)C1(C)C ZINC000808095410 630621697 /nfs/dbraw/zinc/62/16/97/630621697.db2.gz ZYZBICHUPUOUJD-UHFFFAOYSA-N 0 0 296.407 3.176 20 10 CGCDRN CCOc1ccc(CN[C@H](C2CC2)C(F)(F)F)c(O)c1 ZINC000808438873 630645256 /nfs/dbraw/zinc/64/52/56/630645256.db2.gz QBTRTRKPCMFIBC-CYBMUJFWSA-N 0 0 289.297 3.221 20 10 CGCDRN COc1ccc(N(C)CC2(SC)CC2)cc1OC ZINC000809640297 630771559 /nfs/dbraw/zinc/77/15/59/630771559.db2.gz VQZJSJBDGMTITB-UHFFFAOYSA-N 0 0 267.394 3.036 20 10 CGCDRN C[C@@H]1CN(C)c2ccccc2N(Cc2ccccc2O)C1 ZINC000809664320 630778649 /nfs/dbraw/zinc/77/86/49/630778649.db2.gz DBUNXAZLGLWMKT-CQSZACIVSA-N 0 0 282.387 3.485 20 10 CGCDRN Cc1nonc1CNCc1cc(-c2ccccc2)ccc1O ZINC000809744557 630797777 /nfs/dbraw/zinc/79/77/77/630797777.db2.gz QSZXNIBRBDTPDK-UHFFFAOYSA-N 0 0 295.342 3.040 20 10 CGCDRN COc1ccc(O)c(CN2CCCN(C)c3ccccc32)c1 ZINC000809786330 630808571 /nfs/dbraw/zinc/80/85/71/630808571.db2.gz YBVSMUKNUGYWIU-UHFFFAOYSA-N 0 0 298.386 3.247 20 10 CGCDRN CN(C)c1ccc(OCc2ccnc(Cl)c2)cc1 ZINC000810000958 630826298 /nfs/dbraw/zinc/82/62/98/630826298.db2.gz SFTAGYTUKIIAPT-UHFFFAOYSA-N 0 0 262.740 3.380 20 10 CGCDRN COC[C@@H](C)CN1CCCCc2cc(OC)ccc21 ZINC000811508161 631077065 /nfs/dbraw/zinc/07/70/65/631077065.db2.gz DARWPZAVKMDXQL-ZDUSSCGKSA-N 0 0 263.381 3.120 20 10 CGCDRN CC(C)[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000812776993 631307231 /nfs/dbraw/zinc/30/72/31/631307231.db2.gz UJHZXBJJMMUBEX-GFCCVEGCSA-N 0 0 287.762 3.184 20 10 CGCDRN CCCN(CCC)c1ccc(C[NH2+][C@@H](CC)C(=O)[O-])cc1 ZINC000813355029 631415368 /nfs/dbraw/zinc/41/53/68/631415368.db2.gz VLOHEMDGLYWZIJ-INIZCTEOSA-N 0 0 292.423 3.266 20 10 CGCDRN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC000814172395 631538708 /nfs/dbraw/zinc/53/87/08/631538708.db2.gz LRVVWUZVFCXSMZ-FUHWJXTLSA-N 0 0 281.355 3.032 20 10 CGCDRN C[C@H](C1CC1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816488469 631992488 /nfs/dbraw/zinc/99/24/88/631992488.db2.gz UUWRYDRIXZYOAV-MRVPVSSYSA-N 0 0 257.736 3.415 20 10 CGCDRN CCOC(=O)CN(Cc1ccc2ccccc2c1O)C1CC1 ZINC000816491331 631992641 /nfs/dbraw/zinc/99/26/41/631992641.db2.gz IMIASQRNYJZIFK-UHFFFAOYSA-N 0 0 299.370 3.073 20 10 CGCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816538841 632005962 /nfs/dbraw/zinc/00/59/62/632005962.db2.gz JINBPQAAVZLJHQ-MRVPVSSYSA-N 0 0 257.736 3.320 20 10 CGCDRN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549104 632008688 /nfs/dbraw/zinc/00/86/88/632008688.db2.gz DKVIELYNZMKFAH-OTYXRUKQSA-N 0 0 289.778 3.071 20 10 CGCDRN CCCC[C@@H](COC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552417 632010345 /nfs/dbraw/zinc/01/03/45/632010345.db2.gz LNXKENFAQDOVJM-NSHDSACASA-N 0 0 289.778 3.480 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc[nH]1 ZINC000816559179 632011275 /nfs/dbraw/zinc/01/12/75/632011275.db2.gz ANQGPNYNNDRVMH-QMMMGPOBSA-N 0 0 268.719 3.364 20 10 CGCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc[nH]1 ZINC000816559178 632011621 /nfs/dbraw/zinc/01/16/21/632011621.db2.gz ANQGPNYNNDRVMH-MRVPVSSYSA-N 0 0 268.719 3.364 20 10 CGCDRN C[C@@H]1CC([NH2+]Cc2cc(Cl)c(F)cc2[O-])C[C@@H](C)O1 ZINC000816559759 632012797 /nfs/dbraw/zinc/01/27/97/632012797.db2.gz UDVRBZACMGDMIO-RKDXNWHRSA-N 0 0 287.762 3.230 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000816599917 632021630 /nfs/dbraw/zinc/02/16/30/632021630.db2.gz DGMDMUDMAIFYJZ-UHFFFAOYSA-N 0 0 299.773 3.043 20 10 CGCDRN CSCCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] 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C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(F)cc1[O-] ZINC000817956770 632252215 /nfs/dbraw/zinc/25/22/15/632252215.db2.gz CJDHZPLOPJDVRU-NSHDSACASA-N 0 0 274.339 3.007 20 10 CGCDRN CO[C@@H](COc1ccc(N2CCCC2)cc1)C1CC1 ZINC000818079055 632284556 /nfs/dbraw/zinc/28/45/56/632284556.db2.gz DJEVSFAFKFDASK-INIZCTEOSA-N 0 0 261.365 3.091 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)cc(Cl)c1[O-] ZINC000818358016 632314512 /nfs/dbraw/zinc/31/45/12/632314512.db2.gz NXYLCYAVXZSYQG-IJLUTSLNSA-N 0 0 290.190 3.263 20 10 CGCDRN CCOCCC1(C(=O)Nc2ccc(N)cc2)CCCC1 ZINC000818556379 632333873 /nfs/dbraw/zinc/33/38/73/632333873.db2.gz QBHQZUODVBGCNA-UHFFFAOYSA-N 0 0 276.380 3.194 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000820158915 632579614 /nfs/dbraw/zinc/57/96/14/632579614.db2.gz AWPKTIXSUKEFRV-GFCCVEGCSA-N 0 0 278.396 3.358 20 10 CGCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820241751 632595013 /nfs/dbraw/zinc/59/50/13/632595013.db2.gz NGOSWTRBHKZIAF-WDEREUQCSA-N 0 0 288.351 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ZINC000871206174 633726449 /nfs/dbraw/zinc/72/64/49/633726449.db2.gz UZMKRTLAMOHPAS-UHFFFAOYSA-N 0 0 296.370 3.375 20 10 CGCDRN CCCC[C@@](C)(F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206250 633726789 /nfs/dbraw/zinc/72/67/89/633726789.db2.gz XFOZJTZTVIZVFF-OAHLLOKOSA-N 0 0 265.328 3.153 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871327468 633759377 /nfs/dbraw/zinc/75/93/77/633759377.db2.gz ZHXFTBARMGJBIS-ZDUSSCGKSA-N 0 0 295.404 3.018 20 10 CGCDRN C[C@@H]1CCCC[C@H]1CCNC(=O)Cc1ccc(N)cc1 ZINC000829641626 633760663 /nfs/dbraw/zinc/76/06/63/633760663.db2.gz HIPUKRKGJWPKLK-HIFRSBDPSA-N 0 0 274.408 3.144 20 10 CGCDRN CN1CCCc2cc(CNC(=O)OC3CCCC3)ccc21 ZINC000830297629 633847175 /nfs/dbraw/zinc/84/71/75/633847175.db2.gz DSEWUYIENJMEMZ-UHFFFAOYSA-N 0 0 288.391 3.238 20 10 CGCDRN CCCC[C@@](C)(F)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000830540863 633869642 /nfs/dbraw/zinc/86/96/42/633869642.db2.gz OXINMZRSZCBMKL-BDJLRTHQSA-N 0 0 297.370 3.496 20 10 CGCDRN COc1cccc(CNC(=O)c2ccccc2C(C)C)c1O ZINC000830540281 633869780 /nfs/dbraw/zinc/86/97/80/633869780.db2.gz IOKUXSGLJTWITP-UHFFFAOYSA-N 0 0 299.370 3.454 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC2(C)C)c1 ZINC000830541159 633869914 /nfs/dbraw/zinc/86/99/14/633869914.db2.gz SYJRVVNPCAUZSZ-ZWNOBZJWSA-N 0 0 277.364 3.014 20 10 CGCDRN CC(C)Nc1ccccc1NCc1nnc(C2CC2)o1 ZINC000871845462 633889740 /nfs/dbraw/zinc/88/97/40/633889740.db2.gz BGRSQMORJLBXLQ-UHFFFAOYSA-N 0 0 272.352 3.379 20 10 CGCDRN CCCOc1ccc(C[NH2+][C@H](CC(=O)[O-])C2CC2)cc1C ZINC000871878377 633906760 /nfs/dbraw/zinc/90/67/60/633906760.db2.gz JKGWWFOKFBUOGB-OAHLLOKOSA-N 0 0 291.391 3.127 20 10 CGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cccc(C)c1O ZINC000846118543 636147358 /nfs/dbraw/zinc/14/73/58/636147358.db2.gz PCJVYNABOSCYHR-CQSZACIVSA-N 0 0 293.407 3.253 20 10 CGCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cccc(F)c1O ZINC000846118381 636147550 /nfs/dbraw/zinc/14/75/50/636147550.db2.gz NMCPSECNQFPDRR-ZDUSSCGKSA-N 0 0 297.370 3.083 20 10 CGCDRN CSC(C)(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000832435857 634059050 /nfs/dbraw/zinc/05/90/50/634059050.db2.gz DZNZSIQJPZBPIS-LLVKDONJSA-N 0 0 280.437 3.071 20 10 CGCDRN Cc1ccccc1OCCN(C)c1ccc(N)cc1 ZINC000019727595 634219125 /nfs/dbraw/zinc/21/91/25/634219125.db2.gz GVHTUQSJCINSJX-UHFFFAOYSA-N 0 0 256.349 3.092 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834855800 634258236 /nfs/dbraw/zinc/25/82/36/634258236.db2.gz GSBZSCZPNRIPLN-BHDSKKPTSA-N 0 0 287.350 3.382 20 10 CGCDRN CC[C@@](C)(C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000834883208 634265696 /nfs/dbraw/zinc/26/56/96/634265696.db2.gz ZWOSMVFHDGJFKW-OTYXRUKQSA-N 0 0 273.323 3.136 20 10 CGCDRN CC[C@H]([NH2+]C[C@](C)(CC)OC)c1ccc(F)cc1[O-] ZINC000834882988 634265762 /nfs/dbraw/zinc/26/57/62/634265762.db2.gz WSVTZWGNCRJPOP-ZFWWWQNUSA-N 0 0 269.360 3.387 20 10 CGCDRN Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873183466 634273266 /nfs/dbraw/zinc/27/32/66/634273266.db2.gz PMESDVDWQJDSPI-LBPRGKRZSA-N 0 0 286.331 3.460 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000834896299 634273429 /nfs/dbraw/zinc/27/34/29/634273429.db2.gz KBJWJJHGQXMDHN-DFBGVHRSSA-N 0 0 281.371 3.123 20 10 CGCDRN Cc1nccnc1[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000873186769 634274534 /nfs/dbraw/zinc/27/45/34/634274534.db2.gz FGWIBBKSPNURLB-SECBINFHSA-N 0 0 295.745 3.134 20 10 CGCDRN CCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)co1 ZINC000834900330 634277128 /nfs/dbraw/zinc/27/71/28/634277128.db2.gz NVDDAYNEDRZTAD-LBPRGKRZSA-N 0 0 273.380 3.154 20 10 CGCDRN CN(C)c1ccc(/C=C\CN2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000835047446 634334159 /nfs/dbraw/zinc/33/41/59/634334159.db2.gz HQQAMRJFZIBYTQ-IVZVJUQRSA-N 0 0 296.418 3.326 20 10 CGCDRN CC(C)[C@H]1N(C(=O)c2cccc(O)c2O)CC12CCCC2 ZINC000837193035 634869025 /nfs/dbraw/zinc/86/90/25/634869025.db2.gz YLHIIXRCVPTBPQ-OAHLLOKOSA-N 0 0 289.375 3.139 20 10 CGCDRN CC(C)[N@H+](Cc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000876623952 634869647 /nfs/dbraw/zinc/86/96/47/634869647.db2.gz CPXZTUSSZGKNPV-UHFFFAOYSA-N 0 0 292.329 3.476 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(N(C)C)cc1 ZINC000876837121 634913154 /nfs/dbraw/zinc/91/31/54/634913154.db2.gz FUVCXOVVAQNACO-UHFFFAOYSA-N 0 0 256.349 3.379 20 10 CGCDRN CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(O)c1O ZINC000126281316 634950449 /nfs/dbraw/zinc/95/04/49/634950449.db2.gz FZBMGXUAYAAAIS-UHFFFAOYSA-N 0 0 291.734 3.023 20 10 CGCDRN COc1ccc(C(C)(C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877075853 634974015 /nfs/dbraw/zinc/97/40/15/634974015.db2.gz JZPUAHBTYHFZPA-UHFFFAOYSA-N 0 0 298.386 3.218 20 10 CGCDRN CCc1oc(C(=O)N(C)c2ccc(N)cc2)cc1C ZINC000877077406 634974625 /nfs/dbraw/zinc/97/46/25/634974625.db2.gz GVDAKIXZDBHVRW-UHFFFAOYSA-N 0 0 258.321 3.009 20 10 CGCDRN Cc1ccc(CCC(=O)N(C)c2ccc(N)cc2)c(C)c1 ZINC000877081224 634976538 /nfs/dbraw/zinc/97/65/38/634976538.db2.gz XVMWJATVRWEGDX-UHFFFAOYSA-N 0 0 282.387 3.481 20 10 CGCDRN CCO[C@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC000877083442 634978070 /nfs/dbraw/zinc/97/80/70/634978070.db2.gz NWKYPQVJGUTSRD-CYBMUJFWSA-N 0 0 287.350 3.211 20 10 CGCDRN COc1cc(C)ccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877096057 634983264 /nfs/dbraw/zinc/98/32/64/634983264.db2.gz WLNORXGMEOZZLL-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN COc1ccc(C)nc1NCc1ccc(C)cc1O ZINC000877096223 634983344 /nfs/dbraw/zinc/98/33/44/634983344.db2.gz ZMLLUXGJZQGIJA-UHFFFAOYSA-N 0 0 258.321 3.025 20 10 CGCDRN Cc1cccc(O)c1CNc1ccc(C(=O)NC(C)C)cc1 ZINC000877171106 635007395 /nfs/dbraw/zinc/00/73/95/635007395.db2.gz ZIEOZYFUBKVCHZ-UHFFFAOYSA-N 0 0 298.386 3.451 20 10 CGCDRN Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c(O)c1 ZINC000877194695 635011612 /nfs/dbraw/zinc/01/16/12/635011612.db2.gz CHXZKUFMOWCPMJ-MRXNPFEDSA-N 0 0 282.387 3.160 20 10 CGCDRN C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486036 635056080 /nfs/dbraw/zinc/05/60/80/635056080.db2.gz CLPNSUHTKFRPHH-VXNVDRBHSA-N 0 0 295.251 3.443 20 10 CGCDRN [O-]c1c(C[NH2+]C[C@@H]2CCC(F)(F)C2)ccc(F)c1F ZINC000877494327 635059479 /nfs/dbraw/zinc/05/94/79/635059479.db2.gz KBOUVSKSARSGHJ-MRVPVSSYSA-N 0 0 277.261 3.195 20 10 CGCDRN CCCc1nnc(NCc2c(O)cc(C)cc2Cl)o1 ZINC000840879632 635072482 /nfs/dbraw/zinc/07/24/82/635072482.db2.gz RUNKMHHBBBHKBI-UHFFFAOYSA-N 0 0 281.743 3.302 20 10 CGCDRN CC[C@@H](CSC)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531506 635075239 /nfs/dbraw/zinc/07/52/39/635075239.db2.gz OCXQCVORILVNKG-JTQLQIEISA-N 0 0 275.364 3.244 20 10 CGCDRN Cc1occc1CN1CCOc2cc(N(C)C)ccc21 ZINC000840939355 635086737 /nfs/dbraw/zinc/08/67/37/635086737.db2.gz LRLINFVISXZUJR-UHFFFAOYSA-N 0 0 272.348 3.053 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840954968 635092579 /nfs/dbraw/zinc/09/25/79/635092579.db2.gz OCQSRJYNRANUSQ-CQSZACIVSA-N 0 0 281.783 3.047 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CS1 ZINC000840958117 635093348 /nfs/dbraw/zinc/09/33/48/635093348.db2.gz IYFUKJIAZKDFMX-XCBNKYQSSA-N 0 0 275.776 3.168 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CC1(F)F ZINC000840968248 635096337 /nfs/dbraw/zinc/09/63/37/635096337.db2.gz PNPJOIRFMOGTJJ-CBAPKCEASA-N 0 0 261.699 3.179 20 10 CGCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1cccnc1 ZINC000877591218 635104842 /nfs/dbraw/zinc/10/48/42/635104842.db2.gz BSRBLCYRXPZGHU-UHFFFAOYSA-N 0 0 292.329 3.133 20 10 CGCDRN Cc1ncc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877685043 635145232 /nfs/dbraw/zinc/14/52/32/635145232.db2.gz JCTCWYSEMGQFPB-ZETCQYMHSA-N 0 0 284.331 3.286 20 10 CGCDRN CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(N)cc1 ZINC000841296730 635148232 /nfs/dbraw/zinc/14/82/32/635148232.db2.gz YLFOGWOACSUFQQ-SECBINFHSA-N 0 0 275.274 3.121 20 10 CGCDRN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000841298658 635149730 /nfs/dbraw/zinc/14/97/30/635149730.db2.gz CXUQUORTBPMHKV-OLZOCXBDSA-N 0 0 291.395 3.490 20 10 CGCDRN C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000841300116 635150089 /nfs/dbraw/zinc/15/00/89/635150089.db2.gz NYRXVKYAEBCXOP-NWDGAFQWSA-N 0 0 261.369 3.311 20 10 CGCDRN Cc1ccccc1C1(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000841301725 635151121 /nfs/dbraw/zinc/15/11/21/635151121.db2.gz XJPZWKXKAAHWPA-UHFFFAOYSA-N 0 0 295.386 3.431 20 10 CGCDRN CSCc1cnc(CN2Cc3cccc(O)c3C2)s1 ZINC000877703173 635155082 /nfs/dbraw/zinc/15/50/82/635155082.db2.gz USIBYGBYJINCEF-UHFFFAOYSA-N 0 0 292.429 3.228 20 10 CGCDRN Oc1cccc2c1CN(Cc1csc(C3CC3)n1)C2 ZINC000877704067 635155423 /nfs/dbraw/zinc/15/54/23/635155423.db2.gz YZTLHEOHSMPJIY-UHFFFAOYSA-N 0 0 272.373 3.242 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)OCC1CC1 ZINC000841571055 635192689 /nfs/dbraw/zinc/19/26/89/635192689.db2.gz WHKDNESPYMHVAK-CYBMUJFWSA-N 0 0 290.407 3.128 20 10 CGCDRN CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744762 635222094 /nfs/dbraw/zinc/22/20/94/635222094.db2.gz SQXKTFJQSKXWBA-AAEUAGOBSA-N 0 0 282.815 3.181 20 10 CGCDRN CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744764 635222835 /nfs/dbraw/zinc/22/28/35/635222835.db2.gz SQXKTFJQSKXWBA-DGCLKSJQSA-N 0 0 282.815 3.181 20 10 CGCDRN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841743660 635222965 /nfs/dbraw/zinc/22/29/65/635222965.db2.gz JFNHFCYCRBHIMJ-NSHDSACASA-N 0 0 294.826 3.323 20 10 CGCDRN CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747398 635223698 /nfs/dbraw/zinc/22/36/98/635223698.db2.gz ASOJBCWYMCYUQT-JQWIXIFHSA-N 0 0 271.788 3.247 20 10 CGCDRN COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754966 635229169 /nfs/dbraw/zinc/22/91/69/635229169.db2.gz DYKIXSCOIIDVEP-QWRGUYRKSA-N 0 0 271.788 3.369 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841756734 635229635 /nfs/dbraw/zinc/22/96/35/635229635.db2.gz JOZSLPPDOFVDOU-VDDIYKPWSA-N 0 0 271.813 3.448 20 10 CGCDRN C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756843 635230343 /nfs/dbraw/zinc/23/03/43/635230343.db2.gz AOYBXRYZLHBTFU-QMTHXVAHSA-N 0 0 269.772 3.123 20 10 CGCDRN CC[C@@H](CC[NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000841820318 635239085 /nfs/dbraw/zinc/23/90/85/635239085.db2.gz PXQLPRGDPDHFGJ-HNNXBMFYSA-N 0 0 292.423 3.123 20 10 CGCDRN Cc1ccc2c(c1)N[C@@H](c1cccc(Cl)c1O)NC2=O ZINC000877864929 635246481 /nfs/dbraw/zinc/24/64/81/635246481.db2.gz SDJGKCQZUDDTOP-CQSZACIVSA-N 0 0 288.734 3.208 20 10 CGCDRN CCC[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841960363 635252371 /nfs/dbraw/zinc/25/23/71/635252371.db2.gz OCJBAXLJSFOZEY-INIZCTEOSA-N 0 0 289.423 3.176 20 10 CGCDRN CCC1(C)CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841956428 635252708 /nfs/dbraw/zinc/25/27/08/635252708.db2.gz DWDNQLXIJJMGTM-UHFFFAOYSA-N 0 0 289.423 3.033 20 10 CGCDRN COc1ccc(N(C[C@H]2C[C@@H](OC)C2)C(C)C)cc1F ZINC000878232345 635423851 /nfs/dbraw/zinc/42/38/51/635423851.db2.gz YTHBFTHDCKCCAL-XBXGTLAGSA-N 0 0 281.371 3.474 20 10 CGCDRN C/C=C(/C)C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842879245 635504199 /nfs/dbraw/zinc/50/41/99/635504199.db2.gz PIOUKJPMQDQANO-HNFXJGKRSA-N 0 0 289.375 3.031 20 10 CGCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@@H]1C ZINC000878565645 635558234 /nfs/dbraw/zinc/55/82/34/635558234.db2.gz NFTFLMNOUUXWSQ-CABCVRRESA-N 0 0 277.408 3.419 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc(N(C)C)cc1C)N2 ZINC000843268735 635630129 /nfs/dbraw/zinc/63/01/29/635630129.db2.gz MRCLJPUQYUCYLI-KRWDZBQOSA-N 0 0 295.386 3.224 20 10 CGCDRN CC(C)O[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843413440 635661132 /nfs/dbraw/zinc/66/11/32/635661132.db2.gz JJUUFULKITYMCZ-LLVKDONJSA-N 0 0 287.762 3.184 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+][C@H]2CCS[C@@H]2C)c1O ZINC000843433781 635674949 /nfs/dbraw/zinc/67/49/49/635674949.db2.gz CWIRVESLJVTEQR-SKDRFNHKSA-N 0 0 271.813 3.338 20 10 CGCDRN Nc1ccc(CC(=O)NC2(Cc3ccccc3)CCC2)cc1 ZINC000843445834 635677835 /nfs/dbraw/zinc/67/78/35/635677835.db2.gz VEQKZAOIBCRVDA-UHFFFAOYSA-N 0 0 294.398 3.093 20 10 CGCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCCC[C@@H]1C ZINC000843488936 635679944 /nfs/dbraw/zinc/67/99/44/635679944.db2.gz XWUSVDGRQLZLSL-BBRMVZONSA-N 0 0 274.408 3.239 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@]1(C)CCc2ccccc21 ZINC000843820884 635785788 /nfs/dbraw/zinc/78/57/88/635785788.db2.gz YZMIVJNCYDBPBP-LJQANCHMSA-N 0 0 295.382 3.255 20 10 CGCDRN CN1C(=O)/C(=C/c2cccc3c2CCC3)SC1=S ZINC000844267968 635851264 /nfs/dbraw/zinc/85/12/64/635851264.db2.gz MNNLYZTUTWFFMY-WQLSENKSSA-N 0 0 275.398 3.006 20 10 CGCDRN CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(OC)cc1O ZINC000879846845 635871627 /nfs/dbraw/zinc/87/16/27/635871627.db2.gz PAMUZQRTKPQNKW-GUYCJALGSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C)c(OC)c2C)cc1 ZINC000844353125 635877294 /nfs/dbraw/zinc/87/72/94/635877294.db2.gz HQJFWOMZPRXCEY-UHFFFAOYSA-N 0 0 286.375 3.352 20 10 CGCDRN CCOc1ccc(CN(C)c2ccc(OC)cc2)nc1 ZINC000844352984 635877412 /nfs/dbraw/zinc/87/74/12/635877412.db2.gz MCKMQZHUNPHLNL-UHFFFAOYSA-N 0 0 272.348 3.125 20 10 CGCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844922429 635985145 /nfs/dbraw/zinc/98/51/45/635985145.db2.gz FAAVVYPVIZPAGO-VHSXEESVSA-N 0 0 284.787 3.279 20 10 CGCDRN CC1(CCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845161741 636011918 /nfs/dbraw/zinc/01/19/18/636011918.db2.gz VLBKOJDYPYENNR-UHFFFAOYSA-N 0 0 282.771 3.035 20 10 CGCDRN O=C(/C=C\C1CCCCCC1)NCc1ccc(O)c(O)c1 ZINC000845835201 636105576 /nfs/dbraw/zinc/10/55/76/636105576.db2.gz WYLCJLDEGKDYIR-NTMALXAHSA-N 0 0 289.375 3.241 20 10 CGCDRN COc1ccsc1CN(C)c1ccc(OC)cc1 ZINC000845998728 636127620 /nfs/dbraw/zinc/12/76/20/636127620.db2.gz NXWWCGXFUQCBIL-UHFFFAOYSA-N 0 0 263.362 3.402 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(OC)c2OC)cc1 ZINC000845998773 636128150 /nfs/dbraw/zinc/12/81/50/636128150.db2.gz PPYXUUHIRZUGIB-UHFFFAOYSA-N 0 0 287.359 3.349 20 10 CGCDRN COc1ccc(N(C)Cc2cnn(C(C)C)c2)cc1 ZINC000845998767 636128286 /nfs/dbraw/zinc/12/82/86/636128286.db2.gz PILSQWHWAURXNY-UHFFFAOYSA-N 0 0 259.353 3.109 20 10 CGCDRN COCc1ccc(CN(C)c2ccc(OC)cc2)o1 ZINC000845999229 636128404 /nfs/dbraw/zinc/12/84/04/636128404.db2.gz SYVWIDVEUIPICL-UHFFFAOYSA-N 0 0 261.321 3.071 20 10 CGCDRN CCOc1ccc(O)c(CNc2cnccc2CC)c1 ZINC000846070516 636141233 /nfs/dbraw/zinc/14/12/33/636141233.db2.gz JMEYXIBNRKVANF-UHFFFAOYSA-N 0 0 272.348 3.360 20 10 CGCDRN COc1cccc([C@@H](C)Nc2cnn(CC3CC3)c2)c1O ZINC000846161173 636151349 /nfs/dbraw/zinc/15/13/49/636151349.db2.gz VVTRJPOKXWSVQE-LLVKDONJSA-N 0 0 287.363 3.180 20 10 CGCDRN CC[C@H](N[C@@H](C)c1cccc(OC)c1O)C(F)F ZINC000846170464 636153066 /nfs/dbraw/zinc/15/30/66/636153066.db2.gz OCEUAIMTUZJYAV-WPRPVWTQSA-N 0 0 259.296 3.095 20 10 CGCDRN COC[C@@H](C)OC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000867422518 636186441 /nfs/dbraw/zinc/18/64/41/636186441.db2.gz NDEGWMBPULRXDD-SNVBAGLBSA-N 0 0 291.347 3.345 20 10 CGCDRN C[C@@H]1CC[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474751 636187915 /nfs/dbraw/zinc/18/79/15/636187915.db2.gz BDHIMYPVVGYJAL-MNOVXSKESA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC000846474028 636188007 /nfs/dbraw/zinc/18/80/07/636188007.db2.gz QOMHWGKNCGYYSM-GHMZBOCLSA-N 0 0 281.783 3.488 20 10 CGCDRN C[C@H]1CC/C(=C/C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476695 636188632 /nfs/dbraw/zinc/18/86/32/636188632.db2.gz OPZHZNLGBRMTET-QBQSQJOESA-N 0 0 279.767 3.408 20 10 CGCDRN CCOC1(C(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000846477160 636188800 /nfs/dbraw/zinc/18/88/00/636188800.db2.gz QEXHQTQXZAWBID-UHFFFAOYSA-N 0 0 297.782 3.011 20 10 CGCDRN CC(=O)CCC(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846477912 636189170 /nfs/dbraw/zinc/18/91/70/636189170.db2.gz XMQAKIFWIRJVJJ-UHFFFAOYSA-N 0 0 297.782 3.057 20 10 CGCDRN CN(C)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882881004 636444459 /nfs/dbraw/zinc/44/44/59/636444459.db2.gz SWYAFUWCKRHQJJ-UHFFFAOYSA-N 0 0 292.329 3.026 20 10 CGCDRN C[C@H](O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882917633 636462055 /nfs/dbraw/zinc/46/20/55/636462055.db2.gz QYQWBWIBCLFICD-JTQLQIEISA-N 0 0 293.313 3.014 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000882986218 636490914 /nfs/dbraw/zinc/49/09/14/636490914.db2.gz MKGLKYHWBMUUEK-CQSZACIVSA-N 0 0 291.297 3.153 20 10 CGCDRN Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883074272 636530061 /nfs/dbraw/zinc/53/00/61/636530061.db2.gz RXVUIIGCQYZEMG-MRVPVSSYSA-N 0 0 296.317 3.169 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000883184045 636570606 /nfs/dbraw/zinc/57/06/06/636570606.db2.gz OALJYDPIZIGAFG-QMMMGPOBSA-N 0 0 296.144 3.344 20 10 CGCDRN CC(C)CCOc1ccccc1NCc1ncc[nH]1 ZINC000848562985 636607608 /nfs/dbraw/zinc/60/76/08/636607608.db2.gz OSDOFJPTBZQJIV-UHFFFAOYSA-N 0 0 259.353 3.447 20 10 CGCDRN C=C/C=C/CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883268117 636639729 /nfs/dbraw/zinc/63/97/29/636639729.db2.gz CGBGDVBWRCJYOB-ZWNMCFTASA-N 0 0 262.309 3.083 20 10 CGCDRN CCOc1ccc(O)c(CNc2cnc(C)c(C)c2)c1 ZINC000883342049 636689695 /nfs/dbraw/zinc/68/96/95/636689695.db2.gz JAEUNEBVUBJLKU-UHFFFAOYSA-N 0 0 272.348 3.415 20 10 CGCDRN C[C@H]1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000131586399 636691286 /nfs/dbraw/zinc/69/12/86/636691286.db2.gz KUGCGGIAECDFLR-ZFWWWQNUSA-N 0 0 274.408 3.195 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000848922416 636692517 /nfs/dbraw/zinc/69/25/17/636692517.db2.gz QWXAAWKLKJGWTG-LSDHHAIUSA-N 0 0 295.810 3.483 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000848922414 636693048 /nfs/dbraw/zinc/69/30/48/636693048.db2.gz QWXAAWKLKJGWTG-GJZGRUSLSA-N 0 0 295.810 3.483 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H]1CCN1CC)c1cccc(Cl)c1[O-] ZINC000883354924 636696173 /nfs/dbraw/zinc/69/61/73/636696173.db2.gz FINBYAMMHLAHRM-BXUZGUMPSA-N 0 0 282.815 3.181 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848927837 636700258 /nfs/dbraw/zinc/70/02/58/636700258.db2.gz OYMRJKVDKQYNLU-CABCVRRESA-N 0 0 294.826 3.152 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883363904 636705230 /nfs/dbraw/zinc/70/52/30/636705230.db2.gz RDQKMKPVFRSMDD-JTQLQIEISA-N 0 0 299.773 3.376 20 10 CGCDRN COc1cc(CNc2ccon2)c(O)c(C(C)(C)C)c1 ZINC000849346587 636816799 /nfs/dbraw/zinc/81/67/99/636816799.db2.gz UTKYRMDXQQTDBF-UHFFFAOYSA-N 0 0 276.336 3.298 20 10 CGCDRN C[C@@H](NC(=O)NCC1(C)CC(F)(F)C1)c1ccccc1O ZINC000883810141 636847637 /nfs/dbraw/zinc/84/76/37/636847637.db2.gz BCZAPDZZCROOOE-SNVBAGLBSA-N 0 0 298.333 3.188 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCC1CCC1 ZINC000849745630 636862741 /nfs/dbraw/zinc/86/27/41/636862741.db2.gz WLKUBUCIBUYSPT-VQHVLOKHSA-N 0 0 276.332 3.235 20 10 CGCDRN C[C@H](NCc1cscn1)c1ccc(N(C)C)cc1 ZINC000108941551 636893427 /nfs/dbraw/zinc/89/34/27/636893427.db2.gz YHLIGCVUUPBBAM-NSHDSACASA-N 0 0 261.394 3.060 20 10 CGCDRN Clc1cnc(SCc2nnc(C3CC3)o2)s1 ZINC000849999207 636923865 /nfs/dbraw/zinc/92/38/65/636923865.db2.gz PIFHXVQOEVLHRV-UHFFFAOYSA-N 0 0 273.770 3.349 20 10 CGCDRN CO[C@@H](C)c1noc(CSc2ncc(Cl)s2)n1 ZINC000850000116 636924824 /nfs/dbraw/zinc/92/48/24/636924824.db2.gz JRHCPGPWBWWHIL-YFKPBYRVSA-N 0 0 291.785 3.179 20 10 CGCDRN Cc1ccc(C(=O)NCc2ccccc2O)cc1Cl ZINC000134329135 637016198 /nfs/dbraw/zinc/01/61/98/637016198.db2.gz HUBNNHQXNCPUFO-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN Oc1ccccc1CNc1cncc2c1CCCC2 ZINC000850342106 637020525 /nfs/dbraw/zinc/02/05/25/637020525.db2.gz HFJVMOKLAZWORY-UHFFFAOYSA-N 0 0 254.333 3.278 20 10 CGCDRN CC[C@@H]([NH2+]C/C=C/CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000850508330 637095468 /nfs/dbraw/zinc/09/54/68/637095468.db2.gz LPBXVHDAEJWVJW-AAOUONPWSA-N 0 0 290.190 3.288 20 10 CGCDRN CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000850523864 637102838 /nfs/dbraw/zinc/10/28/38/637102838.db2.gz QGSBKKONCOLCDB-OCCSQVGLSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(F)cc1[O-] ZINC000850526059 637105505 /nfs/dbraw/zinc/10/55/05/637105505.db2.gz AAAOBMUNSCPRGZ-FGDXXIHYSA-N 0 0 287.334 3.360 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571873 637129402 /nfs/dbraw/zinc/12/94/02/637129402.db2.gz DGTIKSVVNLAJED-MFKMUULPSA-N 0 0 277.343 3.067 20 10 CGCDRN Nc1ccc(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 ZINC000850711867 637135027 /nfs/dbraw/zinc/13/50/27/637135027.db2.gz SJPQLHQPTZCXQD-WKILWMFISA-N 0 0 286.419 3.492 20 10 CGCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)oc1C ZINC000136135280 637289561 /nfs/dbraw/zinc/28/95/61/637289561.db2.gz ZBFQXZQGXHXMBI-UHFFFAOYSA-N 0 0 298.386 3.209 20 10 CGCDRN COc1ccc(N(C)C[C@H]2C[C@@]23CCOC3)cc1Cl ZINC000886040424 637381007 /nfs/dbraw/zinc/38/10/07/637381007.db2.gz YWMFNIZLIDNHJC-IAQYHMDHSA-N 0 0 281.783 3.211 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C3CC3)no2)c(OC)c1 ZINC000851865180 637525756 /nfs/dbraw/zinc/52/57/56/637525756.db2.gz RZLRKTUXGVBLSW-UHFFFAOYSA-N 0 0 288.347 3.206 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1c([O-])cccc1F ZINC000886489143 637539361 /nfs/dbraw/zinc/53/93/61/637539361.db2.gz AWLRNROHOVEQJX-DGCLKSJQSA-N 0 0 292.354 3.078 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cccnc1 ZINC000886491479 637539927 /nfs/dbraw/zinc/53/99/27/637539927.db2.gz FWWOBQWZAVWRSR-QWRGUYRKSA-N 0 0 260.312 3.338 20 10 CGCDRN Cc1nc(CC[NH2+][C@H](C)c2c([O-])cccc2F)cs1 ZINC000886500366 637543707 /nfs/dbraw/zinc/54/37/07/637543707.db2.gz SBMRWPKXBFSOGJ-SECBINFHSA-N 0 0 280.368 3.190 20 10 CGCDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886509073 637545812 /nfs/dbraw/zinc/54/58/12/637545812.db2.gz ZPSBTPSXJDVTLO-LRDDRELGSA-N 0 0 289.350 3.224 20 10 CGCDRN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886534851 637559733 /nfs/dbraw/zinc/55/97/33/637559733.db2.gz QBYQIOYSJHCVFZ-OLZOCXBDSA-N 0 0 283.387 3.227 20 10 CGCDRN C[C@H]([NH2+]CCOCc1ccccc1)c1c([O-])cccc1F ZINC000886534540 637560083 /nfs/dbraw/zinc/56/00/83/637560083.db2.gz KGPZQHRLRFBNNS-ZDUSSCGKSA-N 0 0 289.350 3.399 20 10 CGCDRN CCc1noc(CC)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886539459 637564202 /nfs/dbraw/zinc/56/42/02/637564202.db2.gz ZWRVROZCDPTVFN-JTQLQIEISA-N 0 0 292.354 3.495 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000886555686 637579959 /nfs/dbraw/zinc/57/99/59/637579959.db2.gz YVPXSDFSZGAXDD-QWRGUYRKSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@H](Nc1cnn(CC2CC2)c1)c1c(O)cccc1F ZINC000886578037 637587778 /nfs/dbraw/zinc/58/77/78/637587778.db2.gz HBWURBGGAQYBTB-JTQLQIEISA-N 0 0 275.327 3.311 20 10 CGCDRN COc1cc(CN(CC2CC2)c2ccc(OC)cc2)on1 ZINC000852134258 637601271 /nfs/dbraw/zinc/60/12/71/637601271.db2.gz CDRDMLPOCGKTCX-UHFFFAOYSA-N 0 0 288.347 3.108 20 10 CGCDRN CCc1noc(C)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886614358 637606825 /nfs/dbraw/zinc/60/68/25/637606825.db2.gz UVPZMGUJPKKIJE-VIFPVBQESA-N 0 0 278.327 3.241 20 10 CGCDRN CCc1nc(C)c(C[NH2+][C@@H](C)c2c([O-])cccc2F)o1 ZINC000886614077 637606935 /nfs/dbraw/zinc/60/69/35/637606935.db2.gz MUQGVSLZTVHNIL-JTQLQIEISA-N 0 0 278.327 3.241 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C12CCC2 ZINC000886624800 637614719 /nfs/dbraw/zinc/61/47/19/637614719.db2.gz AEHRWDWKRFCQHG-LEWSCRJBSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@@H](N[C@@H](C)c1c(O)cccc1F)c1cscn1 ZINC000886636904 637623165 /nfs/dbraw/zinc/62/31/65/637623165.db2.gz XQVZEOZARYXSGL-BDAKNGLRSA-N 0 0 266.341 3.400 20 10 CGCDRN C[C@@H](N[C@H](C)c1c(O)cccc1F)c1cscn1 ZINC000886636907 637623526 /nfs/dbraw/zinc/62/35/26/637623526.db2.gz XQVZEOZARYXSGL-RKDXNWHRSA-N 0 0 266.341 3.400 20 10 CGCDRN CC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000852261757 637624203 /nfs/dbraw/zinc/62/42/03/637624203.db2.gz VESQUCDTWCWLIJ-MLGOLLRUSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@H](NC(=O)NC1CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000852262157 637624711 /nfs/dbraw/zinc/62/47/11/637624711.db2.gz ZVGOKLUNYVOCFY-LBPRGKRZSA-N 0 0 289.423 3.301 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1c([O-])cccc1F ZINC000886646537 637626854 /nfs/dbraw/zinc/62/68/54/637626854.db2.gz MFPTZKLEQCXWMK-XBFCOCLRSA-N 0 0 293.382 3.245 20 10 CGCDRN Fc1cc(NCc2ccc(N3CCCCC3)cc2)ncn1 ZINC000853235892 637788416 /nfs/dbraw/zinc/78/84/16/637788416.db2.gz ZIJMKVYVIFTRDL-UHFFFAOYSA-N 0 0 286.354 3.218 20 10 CGCDRN CC(=O)c1ccnc(NCc2ccc(N(C)C)cc2C)c1 ZINC000853343264 637817864 /nfs/dbraw/zinc/81/78/64/637817864.db2.gz 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/nfs/dbraw/zinc/84/85/66/799848566.db2.gz QOIPMDVUXNGJRJ-UHFFFAOYSA-N 0 0 268.351 3.422 20 10 CGCDRN Oc1ccc(Br)cc1CN1CCC[C@@H](F)C1 ZINC000701673806 799892461 /nfs/dbraw/zinc/89/24/61/799892461.db2.gz MGBVPCLTCDBHNS-LLVKDONJSA-N 0 0 288.160 3.089 20 10 CGCDRN CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703489606 799924035 /nfs/dbraw/zinc/92/40/35/799924035.db2.gz GQVULSLCWAVOQX-GFCCVEGCSA-N 0 0 285.334 3.061 20 10 CGCDRN CC[C@](C)([NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517687 799990208 /nfs/dbraw/zinc/99/02/08/799990208.db2.gz RYZZBXRLNLQDAI-AWEZNQCLSA-N 0 0 255.308 3.339 20 10 CGCDRN C[N@H+](CCCF)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716640053 800177524 /nfs/dbraw/zinc/17/75/24/800177524.db2.gz QYCHXPHLAUTGDK-UHFFFAOYSA-N 0 0 266.143 3.490 20 10 CGCDRN Cc1ncc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC001116584943 802381864 /nfs/dbraw/zinc/38/18/64/802381864.db2.gz OKHWKYFKTNFBMV-ZETCQYMHSA-N 0 0 284.331 3.286 20 10 CGCDRN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)[nH]n1 ZINC001116583266 802382826 /nfs/dbraw/zinc/38/28/26/802382826.db2.gz GHAUXBRTJQXWFZ-UHFFFAOYSA-N 0 0 293.317 3.272 20 10 CGCDRN Nc1ccc(N(c2ccc(N)cc2)c2cncnc2)cc1 ZINC001174387197 808988452 /nfs/dbraw/zinc/98/84/52/808988452.db2.gz NLICEWDGQMDWTL-UHFFFAOYSA-N 0 0 277.331 3.111 20 10 CGCDRN CC(C)C[C@@]1(C)CCCN1C(=O)C1=CC(=O)CS1 ZINC001118765314 802599669 /nfs/dbraw/zinc/59/96/69/802599669.db2.gz YYWBNHYYALKJHI-CQSZACIVSA-N 0 0 267.394 3.495 20 10 CGCDRN Nc1ccc(CN2CCSC[C@@H]2c2nccs2)cc1 ZINC001120371355 802742165 /nfs/dbraw/zinc/74/21/65/802742165.db2.gz WTACMQAHMHDDHS-CYBMUJFWSA-N 0 0 291.445 3.015 20 10 CGCDRN C/C=C\C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120584229 802750120 /nfs/dbraw/zinc/75/01/20/802750120.db2.gz AIAUBPFJQYMVAC-MPNWYJEXSA-N 0 0 287.407 3.157 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2cccc(=O)[nH]2)cn1 ZINC001243737058 802975590 /nfs/dbraw/zinc/97/55/90/802975590.db2.gz BLOFYCGEZGNERV-UHFFFAOYSA-N 0 0 265.316 3.257 20 10 CGCDRN O=C(NCc1cccc(O)c1O)[C@H](F)CC1CCCCC1 ZINC001123977697 802986664 /nfs/dbraw/zinc/98/66/64/802986664.db2.gz LTXHKGCESZFNQL-CYBMUJFWSA-N 0 0 295.354 3.023 20 10 CGCDRN CCOc1ncc(-c2cnc3ccn(C)c3c2)cc1F ZINC001243774072 802993516 /nfs/dbraw/zinc/99/35/16/802993516.db2.gz XEDDAZSFIIRYGA-UHFFFAOYSA-N 0 0 271.295 3.173 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1cccc(C)c1 ZINC001125760715 803074850 /nfs/dbraw/zinc/07/48/50/803074850.db2.gz FLMHTJIMAKMGTD-KAMYIIQDSA-N 0 0 266.344 3.456 20 10 CGCDRN Cc1nc2c(ccn2C)c(-c2cnccc2C2CC2)n1 ZINC001244277677 803275196 /nfs/dbraw/zinc/27/51/96/803275196.db2.gz RZCZBGTWWAUOON-UHFFFAOYSA-N 0 0 264.332 3.216 20 10 CGCDRN CC(C)CN(C(=O)/C=C/c1cccnc1)c1ccc(F)cn1 ZINC001130362844 803282309 /nfs/dbraw/zinc/28/23/09/803282309.db2.gz JCUBCWFREHKSIF-VMPITWQZSA-N 0 0 299.349 3.318 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccsc1 ZINC001130445062 803284484 /nfs/dbraw/zinc/28/44/84/803284484.db2.gz YNNHXDGBJKMHDO-AATRIKPKSA-N 0 0 258.346 3.128 20 10 CGCDRN Cc1cc(CNC(=O)[C@H]2C[C@H]2F)c(C)n1-c1ccccc1 ZINC001132267504 803389394 /nfs/dbraw/zinc/38/93/94/803389394.db2.gz IHBIOPLZBUJTAB-JKSUJKDBSA-N 0 0 286.350 3.068 20 10 CGCDRN COc1ncc(-c2ccc(-n3c(C)ccc3C)nc2)cc1O ZINC001244846332 803549315 /nfs/dbraw/zinc/54/93/15/803549315.db2.gz PRPPJAOMCARKOY-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN CSc1ncc(C)cc1-c1nc(C)nc2c1ccn2C ZINC001244878178 803559586 /nfs/dbraw/zinc/55/95/86/803559586.db2.gz GSGIEQLFJHAQIE-UHFFFAOYSA-N 0 0 284.388 3.369 20 10 CGCDRN CCC(F)(F)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001135800887 803613289 /nfs/dbraw/zinc/61/32/89/803613289.db2.gz UJNPUQXDLKPSGJ-UHFFFAOYSA-N 0 0 296.361 3.291 20 10 CGCDRN CCCC[C@@H](CCC)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001137340977 803718912 /nfs/dbraw/zinc/71/89/12/803718912.db2.gz WGNBEFFZPXGDFM-CYBMUJFWSA-N 0 0 293.407 3.363 20 10 CGCDRN [O-]c1c(F)cccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001138130925 803866062 /nfs/dbraw/zinc/86/60/62/803866062.db2.gz LMFPWUNFRZSUJN-UHFFFAOYSA-N 0 0 279.355 3.065 20 10 CGCDRN Cc1c(CN2CCc3ccncc3C2)c2ccccc2n1C ZINC001138258312 803884072 /nfs/dbraw/zinc/88/40/72/803884072.db2.gz PKFPMHBUXQAGDV-UHFFFAOYSA-N 0 0 291.398 3.440 20 10 CGCDRN CN1CCCc2cc(CN3CC(F)(F)C[C@H]3CF)ccc21 ZINC001138354662 803901296 /nfs/dbraw/zinc/90/12/96/803901296.db2.gz PJXVOBCYZVJWGU-AWEZNQCLSA-N 0 0 298.352 3.248 20 10 CGCDRN CCCn1cc(C[N@H+](CC)Cc2ccccc2O)cn1 ZINC001139041551 804115874 /nfs/dbraw/zinc/11/58/74/804115874.db2.gz JUCGGCQOLNREHO-UHFFFAOYSA-N 0 0 273.380 3.021 20 10 CGCDRN C[C@]1(CF)CC(F)(F)CN1Cc1c(F)ccc(F)c1[O-] ZINC001139684587 804251289 /nfs/dbraw/zinc/25/12/89/804251289.db2.gz JTRNEOGVHNGPSX-GFCCVEGCSA-N 0 0 295.251 3.240 20 10 CGCDRN [O-]c1c(F)ccc(F)c1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001139685848 804251949 /nfs/dbraw/zinc/25/19/49/804251949.db2.gz YTGGVGBFHUAIHH-NSHDSACASA-N 0 0 295.251 3.240 20 10 CGCDRN [O-]c1c(F)ccc(F)c1CN1Cc2ccccc2C1 ZINC001139685795 804252230 /nfs/dbraw/zinc/25/22/30/804252230.db2.gz XQESSESPCUYWJZ-UHFFFAOYSA-N 0 0 261.271 3.186 20 10 CGCDRN C[N@H+](Cc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685717 804252521 /nfs/dbraw/zinc/25/25/21/804252521.db2.gz UWHHYPWBXBPWJG-UHFFFAOYSA-N 0 0 263.287 3.302 20 10 CGCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001139684092 804252766 /nfs/dbraw/zinc/25/27/66/804252766.db2.gz QNZLIRJRFVLECY-HZMBPMFUSA-N 0 0 267.319 3.435 20 10 CGCDRN Cc1cc(-c2noc(-c3csnn3)n2)ccc1Cl ZINC001212361941 815010754 /nfs/dbraw/zinc/01/07/54/815010754.db2.gz IUHLGKBAEKRIDO-UHFFFAOYSA-N 0 0 278.724 3.217 20 10 CGCDRN Oc1cc(Cl)ccc1CN1CC2(C1)C[C@H](F)CS2 ZINC001140466054 804443115 /nfs/dbraw/zinc/44/31/15/804443115.db2.gz VPKDHPRSICGCME-NSHDSACASA-N 0 0 287.787 3.075 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CC2(C1)CCCC2 ZINC001140582658 804467209 /nfs/dbraw/zinc/46/72/09/804467209.db2.gz LXVPACHKHNGUGH-UHFFFAOYSA-N 0 0 253.292 3.046 20 10 CGCDRN Cc1snnc1-c1nc(-c2cncc3ccccc32)no1 ZINC001212405419 815020704 /nfs/dbraw/zinc/02/07/04/815020704.db2.gz SIVWUKNAIJTPMQ-UHFFFAOYSA-N 0 0 295.327 3.112 20 10 CGCDRN CO[C@H]1C[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256935493 807013784 /nfs/dbraw/zinc/01/37/84/807013784.db2.gz MPJVZRYIDSXERN-CTYIDZIISA-N 0 0 295.342 3.420 20 10 CGCDRN CN(C)c1ccc(CN2CCn3cccc3C2)c(Cl)c1 ZINC001140924853 804550222 /nfs/dbraw/zinc/55/02/22/804550222.db2.gz UPDWIRVPKWCYGP-UHFFFAOYSA-N 0 0 289.810 3.223 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)[C@H](C)CO1 ZINC001140926732 804550355 /nfs/dbraw/zinc/55/03/55/804550355.db2.gz RXYSCZLIMJNPGM-VXGBXAGGSA-N 0 0 282.815 3.015 20 10 CGCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)[C@@H](C)CO1 ZINC001140926731 804551146 /nfs/dbraw/zinc/55/11/46/804551146.db2.gz RXYSCZLIMJNPGM-NWDGAFQWSA-N 0 0 282.815 3.015 20 10 CGCDRN CC1(C)CCC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC001142302228 804714888 /nfs/dbraw/zinc/71/48/88/804714888.db2.gz TWIRWXRAJVFCJW-JTQLQIEISA-N 0 0 267.394 3.400 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(CN(C)C)n2)cc1 ZINC001247397946 804725067 /nfs/dbraw/zinc/72/50/67/804725067.db2.gz CQBOJNUUDMNSKX-UHFFFAOYSA-N 0 0 296.374 3.206 20 10 CGCDRN C[C@@]1(F)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509016 804727343 /nfs/dbraw/zinc/72/73/43/804727343.db2.gz TUQAYRKSFVMZPU-CQSZACIVSA-N 0 0 273.298 3.385 20 10 CGCDRN Cc1cc([C@H]2CCCN2Cc2cc(F)c(F)cc2O)no1 ZINC001142508772 804727991 /nfs/dbraw/zinc/72/79/91/804727991.db2.gz KZKXDQSLSKNLHU-CQSZACIVSA-N 0 0 294.301 3.304 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@H](C)O)n2)cc1 ZINC001248494979 804937943 /nfs/dbraw/zinc/93/79/43/804937943.db2.gz HKSMQJPPNZTXQQ-CYBMUJFWSA-N 0 0 297.358 3.067 20 10 CGCDRN O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCc2cccc(O)c2C1 ZINC001144296851 804969578 /nfs/dbraw/zinc/96/95/78/804969578.db2.gz ADTJSLYLYNVSJX-SNPRPXQTSA-N 0 0 285.387 3.103 20 10 CGCDRN Cc1scc(C(=O)N2CCc3cccc(O)c3C2)c1C ZINC001147524568 805137104 /nfs/dbraw/zinc/13/71/04/805137104.db2.gz IPAPVNVKYZHZJZ-UHFFFAOYSA-N 0 0 287.384 3.269 20 10 CGCDRN Cc1cc(Cl)nc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001151900574 805321823 /nfs/dbraw/zinc/32/18/23/805321823.db2.gz UHJRLWHFSCVJRQ-JTQLQIEISA-N 0 0 290.750 3.240 20 10 CGCDRN CC(C)[C@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001152611645 805357375 /nfs/dbraw/zinc/35/73/75/805357375.db2.gz AYMHSXIZDVCIGR-CQSZACIVSA-N 0 0 291.391 3.068 20 10 CGCDRN CCOc1cc(C[N@H+](CC)Cc2ccccc2O)ccn1 ZINC001250014388 805368572 /nfs/dbraw/zinc/36/85/72/805368572.db2.gz USNCNNUMTFBFEN-UHFFFAOYSA-N 0 0 286.375 3.208 20 10 CGCDRN CCN(Cc1ccccc1O)c1ncc2ccccc2n1 ZINC001154882472 805501690 /nfs/dbraw/zinc/50/16/90/805501690.db2.gz VUWNFLNXVFWLCM-UHFFFAOYSA-N 0 0 279.343 3.362 20 10 CGCDRN CCN(Cc1ccccc1O)c1cnc(Cl)cc1N ZINC001154888479 805504319 /nfs/dbraw/zinc/50/43/19/805504319.db2.gz FDYJBHFUOMKABG-UHFFFAOYSA-N 0 0 277.755 3.049 20 10 CGCDRN CC[C@](C)(O)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256970401 807020083 /nfs/dbraw/zinc/02/00/83/807020083.db2.gz OWDIENIIYQNUNS-KRWDZBQOSA-N 0 0 297.358 3.231 20 10 CGCDRN CC(C)(C)Cc1nnc(-c2ccc(O)c(O)c2Cl)o1 ZINC001257903944 807248396 /nfs/dbraw/zinc/24/83/96/807248396.db2.gz YSFQHNUVJUIAJM-UHFFFAOYSA-N 0 0 282.727 3.390 20 10 CGCDRN Cc1cccc(C)c1NCCc1cc(O)c(O)cc1O ZINC001168008880 807300689 /nfs/dbraw/zinc/30/06/89/807300689.db2.gz GBEKNKYKSJFTMC-UHFFFAOYSA-N 0 0 273.332 3.075 20 10 CGCDRN CCc1cc2cc(NCc3ccc(O)c(O)c3)cnc2[nH]1 ZINC001169994915 807735074 /nfs/dbraw/zinc/73/50/74/807735074.db2.gz MFOLQPOOHIBDOS-UHFFFAOYSA-N 0 0 283.331 3.149 20 10 CGCDRN Cc1c(Cl)ccnc1NCc1ccc(O)c(O)c1 ZINC001169993204 807735298 /nfs/dbraw/zinc/73/52/98/807735298.db2.gz HWWCLWXRBMJPFC-UHFFFAOYSA-N 0 0 264.712 3.067 20 10 CGCDRN Oc1ccc(CNc2nccc3cc(F)ccc32)cc1O ZINC001169993956 807735457 /nfs/dbraw/zinc/73/54/57/807735457.db2.gz VXWKBNLVFUZEBR-UHFFFAOYSA-N 0 0 284.290 3.397 20 10 CGCDRN Oc1ccc(CNc2ccccc2-c2ncc[nH]2)cc1O ZINC001169996757 807736708 /nfs/dbraw/zinc/73/67/08/807736708.db2.gz JZQLFHQNBQPNIL-UHFFFAOYSA-N 0 0 281.315 3.100 20 10 CGCDRN CNc1ccccc1N[C@@H](CCc1ccccc1)C(=O)OC ZINC001170173502 807784991 /nfs/dbraw/zinc/78/49/91/807784991.db2.gz ZTNKXGLROYRUCM-KRWDZBQOSA-N 0 0 298.386 3.315 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccn1C1CC1 ZINC001262377826 807862840 /nfs/dbraw/zinc/86/28/40/807862840.db2.gz IOAWAIFHHFHFRZ-UHFFFAOYSA-N 0 0 276.767 3.472 20 10 CGCDRN Cc1ccc(F)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001171723020 808125736 /nfs/dbraw/zinc/12/57/36/808125736.db2.gz JRAZMYBFZMASEM-LLVKDONJSA-N 0 0 273.307 3.331 20 10 CGCDRN C/C(=C/c1ccncc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001171729369 808126676 /nfs/dbraw/zinc/12/66/76/808126676.db2.gz AZLGRPQCDISRPC-HHQWOOOKSA-N 0 0 282.343 3.068 20 10 CGCDRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC001171738333 808129109 /nfs/dbraw/zinc/12/91/09/808129109.db2.gz ZJKOTDNNYWOGEC-LBPRGKRZSA-N 0 0 285.343 3.200 20 10 CGCDRN Cc1ccc(N(CCO)c2ccc(N)cc2)c(C)c1 ZINC001174012759 808821458 /nfs/dbraw/zinc/82/14/58/808821458.db2.gz JWNURIHRIJWKBD-UHFFFAOYSA-N 0 0 256.349 3.016 20 10 CGCDRN CCCN(C(=O)/C=C/c1cnn(C)c1)c1ccc(CC)cc1 ZINC001273141786 808835638 /nfs/dbraw/zinc/83/56/38/808835638.db2.gz CLXRZHBNGAGGAP-DHZHZOJOSA-N 0 0 297.402 3.439 20 10 CGCDRN Oc1c(F)cccc1Nc1ccnc2ccccc21 ZINC001174040075 808839097 /nfs/dbraw/zinc/83/90/97/808839097.db2.gz QOUOTBUMLOCGGZ-UHFFFAOYSA-N 0 0 254.264 3.245 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N(C)c1cccc(Cl)n1 ZINC001275212246 808921671 /nfs/dbraw/zinc/92/16/71/808921671.db2.gz GJFSZXFYIPJZLC-HJWRWDBZSA-N 0 0 287.750 3.115 20 10 CGCDRN COc1ccc(N(C)c2ccc(N)cc2)c(F)c1F ZINC001175027758 809245046 /nfs/dbraw/zinc/24/50/46/809245046.db2.gz NZNHPASXESTXDF-UHFFFAOYSA-N 0 0 264.275 3.324 20 10 CGCDRN Cc1ccc2n[nH]cc2c1N(C)c1ccc(N)cc1 ZINC001175527382 809445612 /nfs/dbraw/zinc/44/56/12/809445612.db2.gz KKZXVFIYEQRICP-UHFFFAOYSA-N 0 0 252.321 3.221 20 10 CGCDRN COc1cc(F)c(Nc2cccc(O)c2O)c(F)c1 ZINC001175721760 809520700 /nfs/dbraw/zinc/52/07/00/809520700.db2.gz IZCYPRREEOMSBD-UHFFFAOYSA-N 0 0 267.231 3.128 20 10 CGCDRN COc1ccc(NC(=O)C2=CC(=O)CS2)cc1SC ZINC001299165002 809544656 /nfs/dbraw/zinc/54/46/56/809544656.db2.gz IMJABFNPCUXSKM-UHFFFAOYSA-N 0 0 295.385 3.437 20 10 CGCDRN C[C@@H](NC(=O)[C@H](F)Cc1ccccc1)c1ccccc1O ZINC001302530127 809597037 /nfs/dbraw/zinc/59/70/37/809597037.db2.gz AYJZYDNEIMUVGW-IUODEOHRSA-N 0 0 287.334 3.150 20 10 CGCDRN Cc1csc(CCC(=O)NCc2ccccc2O)c1 ZINC001176181552 809641764 /nfs/dbraw/zinc/64/17/64/809641764.db2.gz BDYHAAXCQDWCHA-UHFFFAOYSA-N 0 0 275.373 3.011 20 10 CGCDRN CCCC[C@H](C(=O)NCc1cc(O)ccc1O)C(C)C ZINC001176756144 809758727 /nfs/dbraw/zinc/75/87/27/809758727.db2.gz YHUXRQJOMSGBAJ-AWEZNQCLSA-N 0 0 279.380 3.176 20 10 CGCDRN Cc1ccc(N(C)c2ccc(N)cc2)cc1[N+](=O)[O-] ZINC001213670076 815321450 /nfs/dbraw/zinc/32/14/50/815321450.db2.gz HMEMFKGFDHPCGP-UHFFFAOYSA-N 0 0 257.293 3.253 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c1 ZINC001179814594 809947409 /nfs/dbraw/zinc/94/74/09/809947409.db2.gz APKRJZZVMGSLST-DOMZBBRYSA-N 0 0 290.363 3.216 20 10 CGCDRN CN(C)c1ccc(/C=C/C(=O)N2CCC23CCCC3)cc1 ZINC001180125583 809976281 /nfs/dbraw/zinc/97/62/81/809976281.db2.gz JFRURJHFDVXHNE-JXMROGBWSA-N 0 0 284.403 3.311 20 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280.327 3.335 20 10 CGCDRN Cn1ccc2ncc(-c3cnn([C@H]4CCCCO4)c3)cc21 ZINC001240679415 821238196 /nfs/dbraw/zinc/23/81/96/821238196.db2.gz XPONTAHNMKUEMG-MRXNPFEDSA-N 0 0 282.347 3.136 20 10 CGCDRN CC(C)Oc1ccc(-c2cnc3ccn(C)c3c2)cn1 ZINC001240810968 821352964 /nfs/dbraw/zinc/35/29/64/821352964.db2.gz KABXRWJLXDEXDQ-UHFFFAOYSA-N 0 0 267.332 3.423 20 10 CGCDRN Cc1ccc2c(F)c(F)cc(-c3ccn(C)c(=O)c3)c2n1 ZINC001240988940 821471229 /nfs/dbraw/zinc/47/12/29/821471229.db2.gz LBEYTBRTOFOEMF-UHFFFAOYSA-N 0 0 286.281 3.187 20 10 CGCDRN Cc1nc2c(C3=CCN(c4ccccc4)CC3)cccn2n1 ZINC001241351654 821753618 /nfs/dbraw/zinc/75/36/18/821753618.db2.gz AMXPDZGSFJBVSK-UHFFFAOYSA-N 0 0 290.370 3.331 20 10 CGCDRN Cn1ccc2c1nccc2-c1cnn(C2CCC2)c1 ZINC001241725158 822105567 /nfs/dbraw/zinc/10/55/67/822105567.db2.gz YVQFXHFZSNBRPV-UHFFFAOYSA-N 0 0 252.321 3.162 20 10 CGCDRN Cn1ccc2c1cccc2-c1nccc2ncn(C)c21 ZINC001241820166 822161603 /nfs/dbraw/zinc/16/16/03/822161603.db2.gz QBJXMDIZBYNWMZ-UHFFFAOYSA-N 0 0 262.316 3.127 20 10 CGCDRN CC(=O)N1CC=C(c2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001241968148 822250149 /nfs/dbraw/zinc/25/01/49/822250149.db2.gz FEABJRFAYTYLLV-UHFFFAOYSA-N 0 0 296.414 3.021 20 10 CGCDRN CC(C)[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H]1C(C)C ZINC001338793666 936332910 /nfs/dbraw/zinc/33/29/10/936332910.db2.gz RCIRBRPPOWFYDP-CVEARBPZSA-N 0 0 289.423 3.091 20 10 CGCDRN COc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1C ZINC001341796324 936451561 /nfs/dbraw/zinc/45/15/61/936451561.db2.gz ISULSUCPWDNDEK-ZDUSSCGKSA-N 0 0 298.386 3.006 20 10 CGCDRN C[C@@H](NC(=O)N[C@H](C)C1(C)CC1)c1ccc(N(C)C)cc1 ZINC001345789581 936824713 /nfs/dbraw/zinc/82/47/13/936824713.db2.gz JPZOPQYVUWSZRY-CHWSQXEVSA-N 0 0 289.423 3.301 20 10 CGCDRN COCc1nnc(-c2sccc2-n2c(C)ccc2C)o1 ZINC001348910941 936938178 /nfs/dbraw/zinc/93/81/78/936938178.db2.gz OTQVZNWFFHADKV-UHFFFAOYSA-N 0 0 289.360 3.352 20 10 CGCDRN COc1ccc(N(C)Cc2cccn2C2CC2)cc1OC ZINC001349833347 936964867 /nfs/dbraw/zinc/96/48/67/936964867.db2.gz IOSYAFABHCAOKP-UHFFFAOYSA-N 0 0 286.375 3.477 20 10 CGCDRN Cc1cocc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356267692 937156503 /nfs/dbraw/zinc/15/65/03/937156503.db2.gz RPDTVNVNBXMGLF-UHFFFAOYSA-N 0 0 298.386 3.460 20 10 CGCDRN COc1ccc(N(C)Cc2cccc(OC)c2)cc1 ZINC001473612883 937200005 /nfs/dbraw/zinc/20/00/05/937200005.db2.gz AAEOAJPJKKPMRW-UHFFFAOYSA-N 0 0 257.333 3.340 20 10 CGCDRN CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC001325314292 928243475 /nfs/dbraw/zinc/24/34/75/928243475.db2.gz WPIKSCBDICKTID-YUSALJHKSA-N 0 0 269.772 3.264 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(C(F)F)ccc1F ZINC001445969579 937360905 /nfs/dbraw/zinc/36/09/05/937360905.db2.gz IQABIXNEBMOYEA-UHFFFAOYSA-N 0 0 295.260 3.399 20 10 CGCDRN Cc1ccc(C(=O)NCCC2=CCCCCC2)c(O)c1O ZINC001447504937 937369101 /nfs/dbraw/zinc/36/91/01/937369101.db2.gz HLORLVCMMDSSKF-UHFFFAOYSA-N 0 0 289.375 3.417 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC001453646636 937403733 /nfs/dbraw/zinc/40/37/33/937403733.db2.gz BHRRBROQVJTKSF-GFCCVEGCSA-N 0 0 287.334 3.260 20 10 CGCDRN C/C(=C/c1ccncc1)C(=O)N[C@H](C)c1ccccc1O ZINC001454802575 937412800 /nfs/dbraw/zinc/41/28/00/937412800.db2.gz AZLGRPQCDISRPC-YLGBQOPLSA-N 0 0 282.343 3.068 20 10 CGCDRN CCCc1ccc(C(=O)NCc2c(O)cccc2F)s1 ZINC001456031440 937424608 /nfs/dbraw/zinc/42/46/08/937424608.db2.gz XGLXFFKVNQMXOV-UHFFFAOYSA-N 0 0 293.363 3.475 20 10 CGCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1CCOC1 ZINC001460282171 937524309 /nfs/dbraw/zinc/52/43/09/937524309.db2.gz DSKRLTPEVRGUIU-GDBMZVCRSA-N 0 0 289.419 3.366 20 10 CGCDRN Cc1cc(C(=O)Nc2ccc(N)cc2)c(C)n1C1CC1 ZINC000237788582 931972709 /nfs/dbraw/zinc/97/27/09/931972709.db2.gz LSPLWEHSKUIWMP-UHFFFAOYSA-N 0 0 269.348 3.274 20 10 CGCDRN CSc1ncc(Cl)nc1NCc1cccc(C)c1O ZINC001160769969 931984194 /nfs/dbraw/zinc/98/41/94/931984194.db2.gz OGPRQOBABZRZPF-UHFFFAOYSA-N 0 0 295.795 3.478 20 10 CGCDRN Cc1cccc(CNc2nc(Cl)c(F)cc2N)c1O ZINC001160770163 931984573 /nfs/dbraw/zinc/98/45/73/931984573.db2.gz SFLGKRZYCGCUKB-UHFFFAOYSA-N 0 0 281.718 3.082 20 10 CGCDRN COc1cc(C)cc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1O ZINC001461924015 937606918 /nfs/dbraw/zinc/60/69/18/937606918.db2.gz BKHXRERLXFWTEL-UHFFFAOYSA-N 0 0 293.407 3.099 20 10 CGCDRN COc1cc(C)c(CN2CCc3ccccc32)c(O)c1 ZINC001461991466 937611587 /nfs/dbraw/zinc/61/15/87/937611587.db2.gz JOWZERULWQVLSR-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN CC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1C ZINC001462128774 937619661 /nfs/dbraw/zinc/61/96/61/937619661.db2.gz VCARGDBMEOGGAB-ZJUUUORDSA-N 0 0 255.308 3.291 20 10 CGCDRN CCCCN(C(=O)/C=C\c1cncc(F)c1)c1ccncc1 ZINC001462171371 937622428 /nfs/dbraw/zinc/62/24/28/937622428.db2.gz PRMAEJFCMQYEDN-PLNGDYQASA-N 0 0 299.349 3.462 20 10 CGCDRN Cc1ccc2[nH]c(C(=O)NCc3c(O)cccc3F)cc2c1 ZINC001303878167 932835888 /nfs/dbraw/zinc/83/58/88/932835888.db2.gz MLEKAFCJOOVTTC-UHFFFAOYSA-N 0 0 298.317 3.251 20 10 CGCDRN CS[C@H](C)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090651 932842308 /nfs/dbraw/zinc/84/23/08/932842308.db2.gz MPGDTZCWWORPLX-LLVKDONJSA-N 0 0 289.400 3.303 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H](C)c2ncccc2C)c(O)c1 ZINC001462653582 937657138 /nfs/dbraw/zinc/65/71/38/937657138.db2.gz IROPLWPIHSSVIG-ZDUSSCGKSA-N 0 0 256.349 3.255 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCc2ccsc2)c1 ZINC001308553576 933130230 /nfs/dbraw/zinc/13/02/30/933130230.db2.gz KSWBADNTYNPBLJ-UHFFFAOYSA-N 0 0 292.360 3.084 20 10 CGCDRN C[C@H](NC(=O)Nc1ccnc(Cl)c1)c1ccccc1O ZINC001310449658 933256622 /nfs/dbraw/zinc/25/66/22/933256622.db2.gz WZERCWFIWAXWBW-VIFPVBQESA-N 0 0 291.738 3.323 20 10 CGCDRN C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c([O-])cccc1F ZINC001474716335 933703733 /nfs/dbraw/zinc/70/37/33/933703733.db2.gz JXCQLFBNHAIEHQ-ZWNOBZJWSA-N 0 0 251.345 3.446 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)CCc2ccccc2F)c1 ZINC001470254582 937750168 /nfs/dbraw/zinc/75/01/68/937750168.db2.gz IMKGVORCXFNKQT-UHFFFAOYSA-N 0 0 287.334 3.089 20 10 CGCDRN CCC(=O)c1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001470255540 937750183 /nfs/dbraw/zinc/75/01/83/937750183.db2.gz XQVRLJJARQZFBK-UHFFFAOYSA-N 0 0 297.354 3.223 20 10 CGCDRN COCc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001471194954 937762578 /nfs/dbraw/zinc/76/25/78/937762578.db2.gz RBQZHZWPDDPHAH-LBPRGKRZSA-N 0 0 285.343 3.030 20 10 CGCDRN CC(C)(C)CCCC(=O)NCc1c(O)cccc1F ZINC001471976425 937771418 /nfs/dbraw/zinc/77/14/18/937771418.db2.gz YSSUROOUPXCYSN-UHFFFAOYSA-N 0 0 267.344 3.364 20 10 CGCDRN Cc1cccc(C(=O)NCc2cccc(Cl)c2O)c1F ZINC001472316990 937775233 /nfs/dbraw/zinc/77/52/33/937775233.db2.gz QDTPFWVWFVZPEV-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN C=Cc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001472600463 937777897 /nfs/dbraw/zinc/77/78/97/937777897.db2.gz VHLMCBHZHHFNEO-UHFFFAOYSA-N 0 0 267.328 3.274 20 10 CGCDRN C[C@@H]1C[C@@H]1C(=O)CSc1ncc(-c2ccccc2)n1C ZINC001472953777 937789301 /nfs/dbraw/zinc/78/93/01/937789301.db2.gz XLCCKQUMJRHUGS-YPMHNXCESA-N 0 0 286.400 3.404 20 10 CGCDRN CS[C@H](C)CCC(=O)Nc1c2nonc2ccc1Cl ZINC001325344225 934905791 /nfs/dbraw/zinc/90/57/91/934905791.db2.gz ASPFWXIOJXYKIZ-SSDOTTSWSA-N 0 0 299.783 3.346 20 10 CGCDRN C[C@@H](NC(=O)NC[C@H]1C[C@H]1[C@H]1C[C@H]1C)c1ccccc1O ZINC001332409845 935466855 /nfs/dbraw/zinc/46/68/55/935466855.db2.gz WRFKBOKJDXOGJI-MYYUVRNCSA-N 0 0 288.391 3.045 20 10 CGCDRN CCOc1ccccc1N(C)Cc1ccc(N)cc1 ZINC001336116132 936176070 /nfs/dbraw/zinc/17/60/70/936176070.db2.gz BUFOPWQDWBELIO-UHFFFAOYSA-N 0 0 256.349 3.304 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc2cccnc2o1 ZINC001474294188 937849131 /nfs/dbraw/zinc/84/91/31/937849131.db2.gz KJFGRQFUPLEVNW-UHFFFAOYSA-N 0 0 288.734 3.477 20 10 CGCDRN Cc1ccc(CN2CCOc3cc(F)ccc32)c(O)c1 ZINC001474453608 937860607 /nfs/dbraw/zinc/86/06/07/937860607.db2.gz SKSQTVPTHNGLLY-UHFFFAOYSA-N 0 0 273.307 3.239 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001474717041 937876906 /nfs/dbraw/zinc/87/69/06/937876906.db2.gz WQFOESPTXJUGSA-ZDUSSCGKSA-N 0 0 285.362 3.426 20 10 CGCDRN Cc1ccc(NC(=O)NCc2cccc(Cl)c2O)nc1 ZINC001476395363 937888153 /nfs/dbraw/zinc/88/81/53/937888153.db2.gz BOWVBUZORZEWHU-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(F)cc1 ZINC001516966908 938010551 /nfs/dbraw/zinc/01/05/51/938010551.db2.gz RFCGEGDJBXJANK-BJMVGYQFSA-N 0 0 270.307 3.205 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](C)C1(F)F ZINC001521255082 938030769 /nfs/dbraw/zinc/03/07/69/938030769.db2.gz LFDKVYAENNNEQJ-MFKMUULPSA-N 0 0 283.318 3.032 20 10 CGCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CC=CC1 ZINC001525107490 938047734 /nfs/dbraw/zinc/04/77/34/938047734.db2.gz SWAPLXIFFNATLH-UHFFFAOYSA-N 0 0 284.403 3.211 20 10 CGCDRN CCCCN(C(=O)/C=C\c1cccnc1)c1ccncc1 ZINC001535385888 938100695 /nfs/dbraw/zinc/10/06/95/938100695.db2.gz ZBVXYXRLAFGHEK-SREVYHEPSA-N 0 0 281.359 3.323 20 10 CGCDRN CCCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)CC ZINC001542901909 938137299 /nfs/dbraw/zinc/13/72/99/938137299.db2.gz NOOYYIWLIRMMKR-LBPRGKRZSA-N 0 0 279.380 3.068 20 10 CGCDRN CCOc1cc(C)ccc1NC(=O)c1cccc(O)c1O ZINC001544714041 938146492 /nfs/dbraw/zinc/14/64/92/938146492.db2.gz IUOPKNZPNAVXGB-UHFFFAOYSA-N 0 0 287.315 3.057 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N1CCCc2cccc(O)c21 ZINC001547473098 938151322 /nfs/dbraw/zinc/15/13/22/938151322.db2.gz DQQOKQSRXKAELA-QBFSEMIESA-N 0 0 294.354 3.170 20 10 CGCDRN Cc1ccc(C(=O)NCC2CCCCCC2)c(O)c1O ZINC001556628756 938204682 /nfs/dbraw/zinc/20/46/82/938204682.db2.gz FEZLVTYLWQTTGM-UHFFFAOYSA-N 0 0 277.364 3.106 20 10 CGCDRN Cc1cc(C(=O)N2CC=CC2)c(C)n1-c1ccccc1C ZINC001556921575 938206402 /nfs/dbraw/zinc/20/64/02/938206402.db2.gz MXLLYFGTGRUFIL-UHFFFAOYSA-N 0 0 280.371 3.415 20 10 CGCDRN O=C(c1cccc(O)c1O)N(c1ccccc1)C1CCC1 ZINC001557732552 938211673 /nfs/dbraw/zinc/21/16/73/938211673.db2.gz RLZXAXZDESKFCD-UHFFFAOYSA-N 0 0 283.327 3.297 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1C[C@H]1C ZINC001557804832 938211831 /nfs/dbraw/zinc/21/18/31/938211831.db2.gz CXYUOZVLZMFMIZ-BDJLRTHQSA-N 0 0 296.370 3.045 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1O ZINC001557966041 938212866 /nfs/dbraw/zinc/21/28/66/938212866.db2.gz UDWQVLVPVCZINI-SNVBAGLBSA-N 0 0 298.367 3.493 20 10 CGCDRN O=C(/C=C/c1cccs1)N1Cc2cccc(O)c2C1 ZINC001558036154 938213358 /nfs/dbraw/zinc/21/33/58/938213358.db2.gz UZHMLLWDRIFMRA-VOTSOKGWSA-N 0 0 271.341 3.009 20 10 CGCDRN C/C(=C\c1ccc(C)cc1)C(=O)NCc1cc(O)ccc1O ZINC001558175554 938213929 /nfs/dbraw/zinc/21/39/29/938213929.db2.gz VMPKGCURQDHIBG-UKTHLTGXSA-N 0 0 297.354 3.126 20 10 CGCDRN O=C(/C=C/CCc1ccccc1)NCc1c(O)cccc1F ZINC001558454744 938215581 /nfs/dbraw/zinc/21/55/81/938215581.db2.gz LNWRQZKJQRUJJD-LFYBBSHMSA-N 0 0 299.345 3.337 20 10 CGCDRN Cc1ncnc(NCc2cc(Cl)ccc2O)c1C ZINC001559230735 938222950 /nfs/dbraw/zinc/22/29/50/938222950.db2.gz BRYBTAHYNYULLQ-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1ccc(F)cc1F ZINC001560332744 938253421 /nfs/dbraw/zinc/25/34/21/938253421.db2.gz WCGRDCBJWZRZTB-UHFFFAOYSA-N 0 0 299.267 3.281 20 10 CGCDRN OCCc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001560373953 938255713 /nfs/dbraw/zinc/25/57/13/938255713.db2.gz LMEIDSOAQFRVEO-UHFFFAOYSA-N 0 0 295.741 3.332 20 10 CGCDRN COCCC1([NH2+]Cc2ccc(Cl)cc2[O-])CCC1 ZINC001560797146 938276110 /nfs/dbraw/zinc/27/61/10/938276110.db2.gz WOYCAMGSWYDVBB-UHFFFAOYSA-N 0 0 269.772 3.094 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC001561031922 938290462 /nfs/dbraw/zinc/29/04/62/938290462.db2.gz IGNCPRAXUMYZOE-CQSZACIVSA-N 0 0 290.313 3.233 20 10 CGCDRN Cc1cc(CNC(=O)NCC2CC2)c(C)n1-c1ccccc1 ZINC001563595747 938304251 /nfs/dbraw/zinc/30/42/51/938304251.db2.gz LFUWPOHEQDTFPD-UHFFFAOYSA-N 0 0 297.402 3.303 20 10 CGCDRN Cc1cc(O)c(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC001594327039 958182036 /nfs/dbraw/zinc/18/20/36/958182036.db2.gz OUPBHDLVQQGWQP-NSHDSACASA-N 0 0 299.798 3.191 20 10 CGCDRN Cc1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c(O)c1 ZINC001594361559 958454126 /nfs/dbraw/zinc/45/41/26/958454126.db2.gz WMCCXFKKECYYGI-CYBMUJFWSA-N 0 0 279.380 3.070 20 10 CGCDRN C[C@@H](CNC(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC001565359692 960769297 /nfs/dbraw/zinc/76/92/97/960769297.db2.gz ORRSBHZUQBCDSX-JTQLQIEISA-N 0 0 282.359 3.013 20 10 CGCDRN CCC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC001570340068 961949902 /nfs/dbraw/zinc/94/99/02/961949902.db2.gz TXSSPHMVCAGATP-STQMWFEESA-N 0 0 291.391 3.434 20 10 CGCDRN O=C([O-])c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001574973367 962343829 /nfs/dbraw/zinc/34/38/29/962343829.db2.gz JTFOVOZYGSFERS-UHFFFAOYSA-N 0 0 291.734 3.034 20 10 CGCDRN C[C@H](CC(=O)NCc1ccc(N)cc1)c1cccc(F)c1 ZINC001575926419 962421242 /nfs/dbraw/zinc/42/12/42/962421242.db2.gz MDYFNAHPJIEXCX-GFCCVEGCSA-N 0 0 286.350 3.218 20 10 CGCDRN C[C@H](NC(=O)Nc1cccc2c1CCN2)c1ccccc1O ZINC001579485188 962627676 /nfs/dbraw/zinc/62/76/76/962627676.db2.gz RZWJLOJUQBFMED-NSHDSACASA-N 0 0 297.358 3.243 20 10 CGCDRN Cc1cc(C)c(OCC(=O)Oc2ccc(N)cc2)c(C)c1 ZINC001579577680 962635280 /nfs/dbraw/zinc/63/52/80/962635280.db2.gz YNNGJZQOUKLXNB-UHFFFAOYSA-N 0 0 285.343 3.178 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)NCC1CCC1 ZINC000066700212 345303500 /nfs/dbraw/zinc/30/35/00/345303500.db2.gz VMXTVSFFDWVBNW-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)CCC1CCCC1 ZINC000078745991 345620880 /nfs/dbraw/zinc/62/08/80/345620880.db2.gz JCEDERZLYAAOJS-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)NCC1CCCCC1 ZINC000079075710 345630181 /nfs/dbraw/zinc/63/01/81/345630181.db2.gz KLSVBIASZBVPAM-UHFFFAOYSA-N 0 0 276.380 3.114 20 10 CGCDRN COc1cccc(CNc2cccc(C(F)(F)F)n2)c1O ZINC000091479338 345815902 /nfs/dbraw/zinc/81/59/02/345815902.db2.gz XRTBLUNGJPHDFW-UHFFFAOYSA-N 0 0 298.264 3.427 20 10 CGCDRN COc1ccc(O)c([C@@H](C)Nc2nc(C3CC3)ns2)c1 ZINC000092650048 345849334 /nfs/dbraw/zinc/84/93/34/345849334.db2.gz IDOJDQLVWUNBRY-MRVPVSSYSA-N 0 0 291.376 3.303 20 10 CGCDRN CCOc1cccc(CN(CC(F)F)C(C)C)c1O ZINC000092045212 345829473 /nfs/dbraw/zinc/82/94/73/345829473.db2.gz PEEVMSMVKKNKCF-UHFFFAOYSA-N 0 0 273.323 3.266 20 10 CGCDRN Nc1ccc(CNC(=O)CCCCc2ccccc2)cc1 ZINC000167384546 346189252 /nfs/dbraw/zinc/18/92/52/346189252.db2.gz CNOMXRCENIOGPR-UHFFFAOYSA-N 0 0 282.387 3.298 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1ncc(C)s1 ZINC000271348472 346411548 /nfs/dbraw/zinc/41/15/48/346411548.db2.gz IWFSJHGDRJYTRC-UHFFFAOYSA-N 0 0 260.362 3.023 20 10 CGCDRN COc1cncc(COc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000629371846 350681141 /nfs/dbraw/zinc/68/11/41/350681141.db2.gz MAEVMTBEESSTMM-UHFFFAOYSA-N 0 0 297.358 3.173 20 10 CGCDRN C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000187910479 299301075 /nfs/dbraw/zinc/30/10/75/299301075.db2.gz CEZCLKSHVFKTDQ-WDEREUQCSA-N 0 0 285.334 3.280 20 10 CGCDRN C[C@H](c1cccs1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000037821257 369118038 /nfs/dbraw/zinc/11/80/38/369118038.db2.gz MPVRSIOSYZYECK-LLVKDONJSA-N 0 0 274.389 3.092 20 10 CGCDRN COc1cccc(CNC(=O)[C@@H](C)CC2CCCC2)c1O ZINC000114538843 370506118 /nfs/dbraw/zinc/50/61/18/370506118.db2.gz MGAPNXHSOCVBRS-LBPRGKRZSA-N 0 0 291.391 3.233 20 10 CGCDRN CS[C@@H](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000133925422 371288302 /nfs/dbraw/zinc/28/83/02/371288302.db2.gz JAAUTDZZNVVNQD-NSHDSACASA-N 0 0 293.432 3.029 20 10 CGCDRN Cc1noc([C@@H]2CCCN2Cc2c(O)cccc2Cl)n1 ZINC000289141813 371750304 /nfs/dbraw/zinc/75/03/04/371750304.db2.gz AIKZPRKLHXPHEB-LBPRGKRZSA-N 0 0 293.754 3.074 20 10 CGCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000293643908 372434425 /nfs/dbraw/zinc/43/44/25/372434425.db2.gz ODKINBDXSQKXDV-VIFPVBQESA-N 0 0 287.762 3.089 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000293676488 372446209 /nfs/dbraw/zinc/44/62/09/372446209.db2.gz QZUVICLQODXWOJ-XHDPSFHLSA-N 0 0 299.773 3.232 20 10 CGCDRN CC[C@@H]1CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000293990917 372547613 /nfs/dbraw/zinc/54/76/13/372547613.db2.gz LOZCDMLHJQDWEV-CQSZACIVSA-N 0 0 283.375 3.114 20 10 CGCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168863201 372621682 /nfs/dbraw/zinc/62/16/82/372621682.db2.gz UQVSOAPQGXMROY-QWRGUYRKSA-N 0 0 269.410 3.193 20 10 CGCDRN CCn1cc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000294756357 372669594 /nfs/dbraw/zinc/66/95/94/372669594.db2.gz DRILUNJZOWEXPS-JTQLQIEISA-N 0 0 279.771 3.113 20 10 CGCDRN CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000295013459 372686805 /nfs/dbraw/zinc/68/68/05/372686805.db2.gz MITYPNIEIOMFHT-CYBMUJFWSA-N 0 0 283.799 3.293 20 10 CGCDRN CCc1nnc(NCc2ccc(N3CCCCC3)cc2)o1 ZINC000295845028 372931693 /nfs/dbraw/zinc/93/16/93/372931693.db2.gz FUEMXIPQFPQIGE-UHFFFAOYSA-N 0 0 286.379 3.234 20 10 CGCDRN CCc1nnc(NCc2c(C)c3ccccc3n2C)o1 ZINC000295952260 372971190 /nfs/dbraw/zinc/97/11/90/372971190.db2.gz LNCQQXAGPBFQKR-UHFFFAOYSA-N 0 0 270.336 3.044 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)CC1CCC1 ZINC000175867862 373531785 /nfs/dbraw/zinc/53/17/85/373531785.db2.gz JYSXGDXKBOUEIZ-UHFFFAOYSA-N 0 0 261.365 3.321 20 10 CGCDRN CCN(CC)c1ccc(CNc2cc(C)ncn2)cc1F ZINC000301263036 373718611 /nfs/dbraw/zinc/71/86/11/373718611.db2.gz OXJOQAMZCRRDOZ-UHFFFAOYSA-N 0 0 288.370 3.382 20 10 CGCDRN CCCc1nnc(NCc2ccc(N(C)C)c(F)c2)s1 ZINC000301637518 373791587 /nfs/dbraw/zinc/79/15/87/373791587.db2.gz AGVWWHVXIAWVMP-UHFFFAOYSA-N 0 0 294.399 3.308 20 10 CGCDRN COc1ccc(N(C)Cc2ncc(C)s2)cc1F ZINC000180541937 374020650 /nfs/dbraw/zinc/02/06/50/374020650.db2.gz TUXNEVWNGCFVAB-UHFFFAOYSA-N 0 0 266.341 3.236 20 10 CGCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000180223221 373978657 /nfs/dbraw/zinc/97/86/57/373978657.db2.gz DYFPIABJTLKPER-HNNXBMFYSA-N 0 0 293.363 3.166 20 10 CGCDRN CC(C)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000181040606 374072059 /nfs/dbraw/zinc/07/20/59/374072059.db2.gz ZGHAHRZJCPMSGU-CSKARUKUSA-N 0 0 289.375 3.291 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(O)c1O ZINC000181816499 374175212 /nfs/dbraw/zinc/17/52/12/374175212.db2.gz BXAHIIFMJUZYQQ-OCCSQVGLSA-N 0 0 289.375 3.201 20 10 CGCDRN CC(C)CC1(C(=O)NCc2ccc(O)c(O)c2)CCCC1 ZINC000182526125 374285142 /nfs/dbraw/zinc/28/51/42/374285142.db2.gz YAUUKTMZATUOJT-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H](C)C1 ZINC000472296256 375018005 /nfs/dbraw/zinc/01/80/05/375018005.db2.gz PEAGVRPZWVOKLS-CYBMUJFWSA-N 0 0 299.418 3.428 20 10 CGCDRN O=C(c1cccc(O)c1O)N(CC1CCCCC1)C1CC1 ZINC000188235914 375182449 /nfs/dbraw/zinc/18/24/49/375182449.db2.gz PJHIHYWITUVDPO-UHFFFAOYSA-N 0 0 289.375 3.283 20 10 CGCDRN COc1cccc(N(CC(C)C)C(=O)C=Cc2c[nH]cn2)c1 ZINC000492870653 375455547 /nfs/dbraw/zinc/45/55/47/375455547.db2.gz WLWJVIWIXCPNTQ-FPLPWBNLSA-N 0 0 299.374 3.121 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1C ZINC000267341671 378036273 /nfs/dbraw/zinc/03/62/73/378036273.db2.gz JWBQZTWGBLMCDK-UHFFFAOYSA-N 0 0 297.402 3.118 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CC)CC1 ZINC000271095478 378453045 /nfs/dbraw/zinc/45/30/45/378453045.db2.gz VRFCYBGFGDMXRL-UHFFFAOYSA-N 0 0 274.408 3.291 20 10 CGCDRN CN(C)c1ccc(C[N@H+](CC2=CCCOC2)C2CC2)cc1 ZINC000271039650 378435238 /nfs/dbraw/zinc/43/52/38/378435238.db2.gz HSRDAHUGOMHCEW-UHFFFAOYSA-N 0 0 286.419 3.064 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOCC12CCCC2 ZINC000271760562 378502248 /nfs/dbraw/zinc/50/22/48/378502248.db2.gz DNNZNJDIFBFABD-UHFFFAOYSA-N 0 0 281.783 3.191 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000272336373 378615278 /nfs/dbraw/zinc/61/52/78/378615278.db2.gz XRIIOMCWVKHWDN-UHFFFAOYSA-N 0 0 293.382 3.455 20 10 CGCDRN Cc1nnc([C@H](C)N[C@H](C)c2cc(C)ccc2O)s1 ZINC000274173298 378787058 /nfs/dbraw/zinc/78/70/58/378787058.db2.gz HXRXISPLXUHJLI-ZJUUUORDSA-N 0 0 277.393 3.272 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC1(C)CC1 ZINC000350032710 379483095 /nfs/dbraw/zinc/48/30/95/379483095.db2.gz KTHHKDZADOUYRN-UHFFFAOYSA-N 0 0 299.418 3.476 20 10 CGCDRN CCSCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282770462 379985182 /nfs/dbraw/zinc/98/51/82/379985182.db2.gz OWBYZRYJIAPRLY-JTQLQIEISA-N 0 0 284.381 3.094 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[C@@H]1C ZINC000409610247 380048557 /nfs/dbraw/zinc/04/85/57/380048557.db2.gz ZPCIEBOBZHILRL-SWLSCSKDSA-N 0 0 299.418 3.475 20 10 CGCDRN Cc1nnc(COc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC000421201098 380869576 /nfs/dbraw/zinc/86/95/76/380869576.db2.gz OPIZJZGAFUFVHV-UHFFFAOYSA-N 0 0 271.320 3.066 20 10 CGCDRN Cc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2O)cc1 ZINC000365553877 382289010 /nfs/dbraw/zinc/28/90/10/382289010.db2.gz CFVWLTUFTQOQQS-OAHLLOKOSA-N 0 0 297.354 3.384 20 10 CGCDRN CCc1cnc(CN(C)Cc2cccc(OC)c2O)s1 ZINC000093807656 392240975 /nfs/dbraw/zinc/24/09/75/392240975.db2.gz WTRBMLHBJBKWPC-UHFFFAOYSA-N 0 0 292.404 3.052 20 10 CGCDRN CC[C@@H](CC(=O)NCc1cccc(OC)c1O)C(C)C ZINC000105650271 392292487 /nfs/dbraw/zinc/29/24/87/392292487.db2.gz RRRUUXDYXHYCHW-LBPRGKRZSA-N 0 0 279.380 3.089 20 10 CGCDRN COCCCCCN(C)c1ccc(OC)c(F)c1 ZINC000121811969 392416131 /nfs/dbraw/zinc/41/61/31/392416131.db2.gz BLGJNTQHWDUHBG-UHFFFAOYSA-N 0 0 255.333 3.087 20 10 CGCDRN CC1(C)C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000365235868 392443611 /nfs/dbraw/zinc/44/36/11/392443611.db2.gz ZPOXQNLTAYMHKP-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN Cc1cccc(CNc2ccc(N3CCCC3)nc2)c1O ZINC000158138983 392556361 /nfs/dbraw/zinc/55/63/61/392556361.db2.gz ODIVEUBGYDDUIG-UHFFFAOYSA-N 0 0 283.375 3.308 20 10 CGCDRN CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc(Cl)c1[O-] ZINC000287874046 286920355 /nfs/dbraw/zinc/92/03/55/286920355.db2.gz YBDIKCNXEKAFHL-SMDDNHRTSA-N 0 0 293.798 3.372 20 10 CGCDRN O=C(NCc1cccc2ccccc21)c1cccc(O)c1O ZINC000072108573 176317236 /nfs/dbraw/zinc/31/72/36/176317236.db2.gz PXESAEFQNYWVQR-UHFFFAOYSA-N 0 0 293.322 3.181 20 10 CGCDRN CCC(CC)[NH2+]Cc1cccc(Br)c1[O-] ZINC000048788119 260201705 /nfs/dbraw/zinc/20/17/05/260201705.db2.gz AENJPCOYVSUBMV-UHFFFAOYSA-N 0 0 272.186 3.433 20 10 CGCDRN Cc1cc(O)c(C[NH+]2CCC(n3ccnc3)CC2)cc1C ZINC000152081002 261059537 /nfs/dbraw/zinc/05/95/37/261059537.db2.gz FPRJAPCAEQDHLZ-UHFFFAOYSA-N 0 0 285.391 3.043 20 10 CGCDRN COc1cccc(CNC(=O)C2(CC(C)C)CCC2)c1O ZINC000155409529 261101673 /nfs/dbraw/zinc/10/16/73/261101673.db2.gz KIWBQQUFHYTDFW-UHFFFAOYSA-N 0 0 291.391 3.233 20 10 CGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCCCC1 ZINC000155672988 261105927 /nfs/dbraw/zinc/10/59/27/261105927.db2.gz FXDYGWKKEBRXMR-UHFFFAOYSA-N 0 0 299.418 3.148 20 10 CGCDRN CCCc1c(C(=O)Nc2ccc(N)cc2)[nH]c(C)c1C(C)=O ZINC000160399509 261213232 /nfs/dbraw/zinc/21/32/32/261213232.db2.gz SOJXTNOGMUFGEY-UHFFFAOYSA-N 0 0 299.374 3.313 20 10 CGCDRN CCCCN(C(=O)/C=C\c1cnccn1)c1ccccc1 ZINC000491165744 261357663 /nfs/dbraw/zinc/35/76/63/261357663.db2.gz AOEALZOEKCFBMP-KTKRTIGZSA-N 0 0 281.359 3.323 20 10 CGCDRN C[C@H]([NH2+]CCCn1ccnc1)c1cc2c(cc1O)CCCC2 ZINC000184837484 262030298 /nfs/dbraw/zinc/03/02/98/262030298.db2.gz PECIVRKYIDZZEP-AWEZNQCLSA-N 0 0 299.418 3.208 20 10 CGCDRN C[C@@H]([NH2+]CCCn1ccnc1)c1cc2c(cc1O)CCCC2 ZINC000184837506 262030811 /nfs/dbraw/zinc/03/08/11/262030811.db2.gz PECIVRKYIDZZEP-CQSZACIVSA-N 0 0 299.418 3.208 20 10 CGCDRN CC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CCCC1 ZINC000184990777 262036711 /nfs/dbraw/zinc/03/67/11/262036711.db2.gz RNSJATYOZASZHU-OCCSQVGLSA-N 0 0 280.387 3.056 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1O ZINC000185300689 262049158 /nfs/dbraw/zinc/04/91/58/262049158.db2.gz ZRBQUPVVQZAOMQ-JTQLQIEISA-N 0 0 291.322 3.096 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CC[C@H](C)OC ZINC000282478726 263077073 /nfs/dbraw/zinc/07/70/73/263077073.db2.gz LKMOMZJEXQAUKO-AWEZNQCLSA-N 0 0 293.407 3.336 20 10 CGCDRN Cc1cc(O)c(CN2C[C@@H](CO)c3ccccc32)cc1C ZINC000294057008 265003136 /nfs/dbraw/zinc/00/31/36/265003136.db2.gz XKUCGKBTJZKSHN-HNNXBMFYSA-N 0 0 283.371 3.105 20 10 CGCDRN CC[C@H]([NH2+]C[C@@](C)(O)CC)c1cccc(Cl)c1[O-] ZINC000286860084 288046655 /nfs/dbraw/zinc/04/66/55/288046655.db2.gz AFFNEJJCTLUURR-JSGCOSHPSA-N 0 0 271.788 3.247 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c(O)c1C ZINC000296266786 328289998 /nfs/dbraw/zinc/28/99/98/328289998.db2.gz DLSZBRDTDFMOCV-LBPRGKRZSA-N 0 0 288.395 3.101 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC=C(c2ccccc2)C1 ZINC000375989040 329005930 /nfs/dbraw/zinc/00/59/30/329005930.db2.gz HWEIGEPUKPARNK-UHFFFAOYSA-N 0 0 295.338 3.027 20 10 CGCDRN c1[nH]nc(-c2cccnc2)c1CN1CCCc2ccccc21 ZINC000180412133 329216128 /nfs/dbraw/zinc/21/61/28/329216128.db2.gz JVTBZNXLBMJJAB-UHFFFAOYSA-N 0 0 290.370 3.425 20 10 CGCDRN Cc1c2cc(OC[C@H]3CCCO3)ccc2n(C)c1C ZINC000421204497 329805603 /nfs/dbraw/zinc/80/56/03/329805603.db2.gz SONAUYPYTNRQLU-CQSZACIVSA-N 0 0 259.349 3.353 20 10 CGCDRN CCOc1cncc(NCc2c(C)c3ccccc3n2C)n1 ZINC000480516084 331775532 /nfs/dbraw/zinc/77/55/32/331775532.db2.gz RLAWUUCBFMETMG-UHFFFAOYSA-N 0 0 296.374 3.288 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCCc3cccc(O)c32)cn1 ZINC000492345757 332393513 /nfs/dbraw/zinc/39/35/13/332393513.db2.gz YLYUVPQJBOWWAE-KTKRTIGZSA-N 0 0 294.354 3.088 20 10 CGCDRN O=C(C=Cc1c[nH]cn1)N1CC2(CCC2)c2c1cccc2F ZINC000492814632 332414469 /nfs/dbraw/zinc/41/44/69/332414469.db2.gz UZMOYRKWBWDBCL-WAYWQWQTSA-N 0 0 297.333 3.031 20 10 CGCDRN C[C@H]1CCN(C(=O)/C=C/c2cccnc2)c2c(O)cccc21 ZINC000186325992 333158564 /nfs/dbraw/zinc/15/85/64/333158564.db2.gz AQBDLKSJEYOYCV-GWJCSSMESA-N 0 0 294.354 3.341 20 10 CGCDRN COc1ccccc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224496369 333221405 /nfs/dbraw/zinc/22/14/05/333221405.db2.gz 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ZINC000731867414 572433097 /nfs/dbraw/zinc/43/30/97/572433097.db2.gz KBGSXRQKRYJFEW-CYBMUJFWSA-N 0 0 273.357 3.213 20 10 CGCDRN Cc1ccc(C)c(C(=O)COC(=O)C2=CC(=O)CS2)c1 ZINC000731912667 572436231 /nfs/dbraw/zinc/43/62/31/572436231.db2.gz XNZKQKYWSMMBDP-UHFFFAOYSA-N 0 0 290.340 3.110 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC000732265189 572455142 /nfs/dbraw/zinc/45/51/42/572455142.db2.gz OHHRQAYXWARQOP-ZETCQYMHSA-N 0 0 283.299 3.223 20 10 CGCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1c(F)cccc1F ZINC000732268594 572455573 /nfs/dbraw/zinc/45/55/73/572455573.db2.gz KMKSKDFLZDFSGO-SSDOTTSWSA-N 0 0 283.299 3.223 20 10 CGCDRN C/C(=C\C(=O)NCCCSc1nccs1)C1CC1 ZINC000733972397 572621281 /nfs/dbraw/zinc/62/12/81/572621281.db2.gz FQYOJCADKDSXEF-MDZDMXLPSA-N 0 0 282.434 3.098 20 10 CGCDRN COc1ccc(O)c(CNc2ncnc3cccc(F)c32)c1 ZINC000733994900 572622305 /nfs/dbraw/zinc/62/23/05/572622305.db2.gz UURSDJZNFPFAEY-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1ccccc1O ZINC000734067953 572627730 /nfs/dbraw/zinc/62/77/30/572627730.db2.gz BGSCCXYWDWFXTN-UONOGXRCSA-N 0 0 290.407 3.408 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C)CCCC1 ZINC000734403276 572652179 /nfs/dbraw/zinc/65/21/79/572652179.db2.gz ZJSOMGWRCCEOMA-UHFFFAOYSA-N 0 0 274.408 3.258 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000743549603 572670983 /nfs/dbraw/zinc/67/09/83/572670983.db2.gz XWKDAAYHPQYVDZ-VIFPVBQESA-N 0 0 253.367 3.152 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccccc1OC1CCC1 ZINC000735686507 572738224 /nfs/dbraw/zinc/73/82/24/572738224.db2.gz UTZROTJWXNGFSS-UHFFFAOYSA-N 0 0 297.354 3.254 20 10 CGCDRN CCN(CC(=O)Nc1ccc(C)cc1)c1ccc(OC)cc1 ZINC000746109812 572853498 /nfs/dbraw/zinc/85/34/98/572853498.db2.gz XEPYZXAJGNNNCH-UHFFFAOYSA-N 0 0 298.386 3.469 20 10 CGCDRN CCOc1ccc(N(CC)Cc2nc(CC)no2)cc1 ZINC000746159294 572857759 /nfs/dbraw/zinc/85/77/59/572857759.db2.gz RRNWRABHJTXUNT-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)COC1(C)CCC1 ZINC000746220435 572862050 /nfs/dbraw/zinc/86/20/50/572862050.db2.gz VMKSMCVOWOADSC-UHFFFAOYSA-N 0 0 291.391 3.090 20 10 CGCDRN Nc1ccc(CC(=O)N[C@@H](c2cccs2)C2CC2)cc1 ZINC000746411358 572871254 /nfs/dbraw/zinc/87/12/54/572871254.db2.gz YRUCNMOLOIBYQD-MRXNPFEDSA-N 0 0 286.400 3.140 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC12CCCC2 ZINC000747515985 572933449 /nfs/dbraw/zinc/93/34/49/572933449.db2.gz FRQJELSVXDNPEF-INIZCTEOSA-N 0 0 299.414 3.468 20 10 CGCDRN CCN(Cc1ccc(C)cn1)c1ccc(OC)c(OC)c1 ZINC000747681679 572940340 /nfs/dbraw/zinc/94/03/40/572940340.db2.gz MYYFXMKWYPRXBS-UHFFFAOYSA-N 0 0 286.375 3.434 20 10 CGCDRN COc1ccc(O)c(CNC(=O)/C=C(\C)C(C)(C)C)c1 ZINC000748039512 572958643 /nfs/dbraw/zinc/95/86/43/572958643.db2.gz LMVPZJVCTHWMDD-DHZHZOJOSA-N 0 0 277.364 3.009 20 10 CGCDRN C[C@H](Cc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000748345404 572974619 /nfs/dbraw/zinc/97/46/19/572974619.db2.gz BNRHMKZFUVQBOB-GFCCVEGCSA-N 0 0 287.334 3.026 20 10 CGCDRN CC(C)COc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000748355204 572975060 /nfs/dbraw/zinc/97/50/60/572975060.db2.gz VQROOKHDUIPZPZ-UHFFFAOYSA-N 0 0 299.370 3.357 20 10 CGCDRN CC[C@H](C)NC(=S)N(CC)Cc1ccc(N(C)C)cc1 ZINC000749765179 573034088 /nfs/dbraw/zinc/03/40/88/573034088.db2.gz ZSUPSVQCHUMPSB-ZDUSSCGKSA-N 0 0 293.480 3.248 20 10 CGCDRN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000833772421 604530056 /nfs/dbraw/zinc/53/00/56/604530056.db2.gz GMUIOPWBGCTQSA-INIZCTEOSA-N 0 0 297.354 3.108 20 10 CGCDRN CC(C)([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-] ZINC000833460815 605235179 /nfs/dbraw/zinc/23/51/79/605235179.db2.gz KEQOTZXVDMIVTA-UHFFFAOYSA-N 0 0 285.343 3.012 20 10 CGCDRN CC1(C(=O)NCc2cccc(Cl)c2O)CCCC1 ZINC000890758245 617814772 /nfs/dbraw/zinc/81/47/72/617814772.db2.gz SXDFOPSNRZHNRL-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN C/C(=C(/F)C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000900026092 620749027 /nfs/dbraw/zinc/74/90/27/620749027.db2.gz IPCSTZOUUJXVRB-VBKFSLOCSA-N 0 0 290.382 3.365 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1cccc(Cl)c1[O-] ZINC000806169997 617802445 /nfs/dbraw/zinc/80/24/45/617802445.db2.gz UPRFQQDSRBFSLZ-RISCZKNCSA-N 0 0 285.815 3.351 20 10 CGCDRN CC[C@H](C)CCC(=O)NCc1cccc(Cl)c1O ZINC000890759740 617815556 /nfs/dbraw/zinc/81/55/56/617815556.db2.gz QFUSYKBAYTWHLT-JTQLQIEISA-N 0 0 269.772 3.488 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760150 617815770 /nfs/dbraw/zinc/81/57/70/617815770.db2.gz JXJCOMQBMOOADB-NXEZZACHSA-N 0 0 267.756 3.098 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CC12CCCC2 ZINC000890760304 617817646 /nfs/dbraw/zinc/81/76/46/617817646.db2.gz NXLMBKZPJFKAHX-LLVKDONJSA-N 0 0 279.767 3.242 20 10 CGCDRN CCC[C@H](CC)C(=O)NCc1cccc(Cl)c1O ZINC000890763532 617819394 /nfs/dbraw/zinc/81/93/94/617819394.db2.gz XRDGYTSKWYXHLI-JTQLQIEISA-N 0 0 269.772 3.488 20 10 CGCDRN CCC(C)(C)OCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000308693654 618342314 /nfs/dbraw/zinc/34/23/14/618342314.db2.gz NIWZDJXNZPFHTD-UHFFFAOYSA-N 0 0 271.788 3.340 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2(C)CCC2)cc1 ZINC000176634585 618473139 /nfs/dbraw/zinc/47/31/39/618473139.db2.gz YPYKNYVPLFRTFV-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000255589713 618744395 /nfs/dbraw/zinc/74/43/95/618744395.db2.gz PCGSXVBNEMUDHB-DGMVEKRQSA-N 0 0 282.318 3.384 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(F)cc1[O-] ZINC000840874735 618745299 /nfs/dbraw/zinc/74/52/99/618745299.db2.gz CTKXBJNGVBEBIH-OASPWFOLSA-N 0 0 255.308 3.463 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccccc2Cl)c(O)c1O ZINC000179381488 618780567 /nfs/dbraw/zinc/78/05/67/618780567.db2.gz GZFMVMHRVSCBJF-UHFFFAOYSA-N 0 0 277.707 3.312 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cnc2c(c1)COCC2 ZINC000840878276 618781710 /nfs/dbraw/zinc/78/17/10/618781710.db2.gz CPGYWGFVFFELNB-UHFFFAOYSA-N 0 0 297.402 3.141 20 10 CGCDRN COc1cc(C[N@H+](C)Cc2ccccc2F)c(O)cc1C ZINC000179433391 618783661 /nfs/dbraw/zinc/78/36/61/618783661.db2.gz XHDKZWQTNICXHD-UHFFFAOYSA-N 0 0 289.350 3.480 20 10 CGCDRN C[C@@H](NC(=O)NCCC1CC=CC1)c1ccccc1O ZINC000926727900 618845294 /nfs/dbraw/zinc/84/52/94/618845294.db2.gz PEQGWUWFBWPVSC-GFCCVEGCSA-N 0 0 274.364 3.109 20 10 CGCDRN Cc1cc(O)c(CN(C)[C@H](C)C(=O)OC(C)C)c(Cl)c1 ZINC000840915869 619131408 /nfs/dbraw/zinc/13/14/08/619131408.db2.gz CNQMTRXLXHFIJO-LLVKDONJSA-N 0 0 299.798 3.126 20 10 CGCDRN CCO[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000194398218 619155249 /nfs/dbraw/zinc/15/52/49/619155249.db2.gz RPVXSBIMCBHBPG-KRWDZBQOSA-N 0 0 299.370 3.128 20 10 CGCDRN CCN1C(=O)/C(=C/c2cc(F)ccc2F)SC1=S ZINC000209128032 619213850 /nfs/dbraw/zinc/21/38/50/619213850.db2.gz BOTJBYWHMIRMLU-POHAHGRESA-N 0 0 285.340 3.186 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(F)c1 ZINC000094246165 619242576 /nfs/dbraw/zinc/24/25/76/619242576.db2.gz MTIWVKOBMDVNMA-UHFFFAOYSA-N 0 0 273.307 3.112 20 10 CGCDRN CCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067003934 619273051 /nfs/dbraw/zinc/27/30/51/619273051.db2.gz MUHCSGWQPYFQHV-UHFFFAOYSA-N 0 0 289.423 3.275 20 10 CGCDRN CCc1nc(CNCc2cc(Cl)ccc2O)cs1 ZINC000107715500 619278571 /nfs/dbraw/zinc/27/85/71/619278571.db2.gz UPXAOBBNRQVIAJ-UHFFFAOYSA-N 0 0 282.796 3.354 20 10 CGCDRN CC[N@H+](Cc1c(O)cccc1OC)C1CC(C)(C)C1 ZINC000840970674 619297098 /nfs/dbraw/zinc/29/70/98/619297098.db2.gz CIQDLLOQALVDHA-UHFFFAOYSA-N 0 0 263.381 3.411 20 10 CGCDRN C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000248518510 619380659 /nfs/dbraw/zinc/38/06/59/619380659.db2.gz PVYZGTHEIPMKMO-RDBSUJKOSA-N 0 0 294.414 3.302 20 10 CGCDRN O=C(CSc1nccs1)Nc1cc(F)ccc1F ZINC000047240197 619384760 /nfs/dbraw/zinc/38/47/60/619384760.db2.gz JEGORURZNQEKGD-UHFFFAOYSA-N 0 0 286.328 3.152 20 10 CGCDRN CCN(CC)c1ccc(CNCc2ocnc2C)cc1F ZINC000894252550 619443382 /nfs/dbraw/zinc/44/33/82/619443382.db2.gz IOQBCZUWSWSBMQ-UHFFFAOYSA-N 0 0 291.370 3.258 20 10 CGCDRN COc1cc(NCc2cc(C)cc(OC)c2O)ccc1F ZINC000894530873 619565285 /nfs/dbraw/zinc/56/52/85/619565285.db2.gz ONLRCCXFZFNGPA-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN COc1cc(C)cc(CNc2cccc3c2CCO3)c1O ZINC000894621118 619588486 /nfs/dbraw/zinc/58/84/86/619588486.db2.gz WZVKBQDZBZGEIM-UHFFFAOYSA-N 0 0 285.343 3.256 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000894692523 619605084 /nfs/dbraw/zinc/60/50/84/619605084.db2.gz HZVHZDYBCUGWHF-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN COc1ccc(N(C)Cc2cnc3onc(C)c3c2)cc1 ZINC000895128744 619743493 /nfs/dbraw/zinc/74/34/93/619743493.db2.gz CVUFTPAPNRRHGY-UHFFFAOYSA-N 0 0 283.331 3.176 20 10 CGCDRN CN(Cc1ccns1)Cc1c(O)cccc1Cl ZINC000895453897 619830277 /nfs/dbraw/zinc/83/02/77/619830277.db2.gz SBYWVKTXKBZWIO-UHFFFAOYSA-N 0 0 268.769 3.134 20 10 CGCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000841299950 619843126 /nfs/dbraw/zinc/84/31/26/619843126.db2.gz MHZKCAKTJOZVPL-UONOGXRCSA-N 0 0 293.436 3.407 20 10 CGCDRN CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000841299946 619843277 /nfs/dbraw/zinc/84/32/77/619843277.db2.gz MHZKCAKTJOZVPL-KGLIPLIRSA-N 0 0 293.436 3.407 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000895543951 619846158 /nfs/dbraw/zinc/84/61/58/619846158.db2.gz HOOFQLQAQDEXSF-SECBINFHSA-N 0 0 275.726 3.366 20 10 CGCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895583853 619854447 /nfs/dbraw/zinc/85/44/47/619854447.db2.gz ZDHOEGRMSOBXQM-LBPRGKRZSA-N 0 0 274.389 3.147 20 10 CGCDRN CCc1cnc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000185583261 625391993 /nfs/dbraw/zinc/39/19/93/625391993.db2.gz UKGVASGKSYHXNQ-JTQLQIEISA-N 0 0 294.395 3.444 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000896862270 620078523 /nfs/dbraw/zinc/07/85/23/620078523.db2.gz BXEQBMWXNOKGJV-POYBYMJQSA-N 0 0 297.679 3.473 20 10 CGCDRN CC(C)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cnn(C)c1 ZINC000897082028 620135417 /nfs/dbraw/zinc/13/54/17/620135417.db2.gz QKYMWBUMJNIQFX-CQSZACIVSA-N 0 0 293.798 3.266 20 10 CGCDRN COC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(C)o1 ZINC000185630298 625399283 /nfs/dbraw/zinc/39/92/83/625399283.db2.gz HTXXKEHXHOIZLN-FZMZJTMJSA-N 0 0 293.338 3.471 20 10 CGCDRN CC[C@@H](O)CCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796827581 620154069 /nfs/dbraw/zinc/15/40/69/620154069.db2.gz OCOBJMSFSNOZBU-TZMCWYRMSA-N 0 0 269.360 3.123 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC(C)(C)C2)c1 ZINC000179063575 620185540 /nfs/dbraw/zinc/18/55/40/620185540.db2.gz LSENUEHNBVFFIW-LBPRGKRZSA-N 0 0 291.391 3.233 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCOC12CCCC2 ZINC000898113011 620479677 /nfs/dbraw/zinc/47/96/77/620479677.db2.gz YGEMDDVKLSRKRN-ZDUSSCGKSA-N 0 0 299.773 3.376 20 10 CGCDRN COC1(C[C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000898218550 620489532 /nfs/dbraw/zinc/48/95/32/620489532.db2.gz JTECPGYBYFFCBI-NSHDSACASA-N 0 0 283.799 3.483 20 10 CGCDRN CSCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898305383 620508564 /nfs/dbraw/zinc/50/85/64/620508564.db2.gz BAKAKDGBDRJGBK-UHFFFAOYSA-N 0 0 259.802 3.277 20 10 CGCDRN C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903397409 621721485 /nfs/dbraw/zinc/72/14/85/621721485.db2.gz YJHNQKVJUNKWJV-DKCNOQQISA-N 0 0 290.190 3.385 20 10 CGCDRN CCN(CC)c1ccc(CNc2cc(C)on2)cc1 ZINC000083432795 625519396 /nfs/dbraw/zinc/51/93/96/625519396.db2.gz KSRHIINBZGFACQ-UHFFFAOYSA-N 0 0 259.353 3.441 20 10 CGCDRN CCc1cnc(NCc2cc(F)cc(F)c2O)s1 ZINC000905410702 622068550 /nfs/dbraw/zinc/06/85/50/622068550.db2.gz ASZANLHEONYDMP-UHFFFAOYSA-N 0 0 270.304 3.301 20 10 CGCDRN CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000840763828 625554953 /nfs/dbraw/zinc/55/49/53/625554953.db2.gz LTXKLWRTYQLGPR-RTXFEEFZSA-N 0 0 267.344 3.138 20 10 CGCDRN O=C(NCc1ccc(O)cc1O)C1CC2(C1)CCCCC2 ZINC000910942598 622511067 /nfs/dbraw/zinc/51/10/67/622511067.db2.gz FVTJFBSTPJXFAR-UHFFFAOYSA-N 0 0 289.375 3.075 20 10 CGCDRN CC(C)(C)CC(C)(C)C(=O)NCCc1ccc(N)cc1 ZINC000911782761 622550228 /nfs/dbraw/zinc/55/02/28/622550228.db2.gz MNUPCUWGAYKMAN-UHFFFAOYSA-N 0 0 276.424 3.390 20 10 CGCDRN CCOc1ccc(N(C)Cc2nnc(C(C)C)o2)cc1 ZINC000150728578 622656947 /nfs/dbraw/zinc/65/69/47/622656947.db2.gz NHOREZRABXDSRL-UHFFFAOYSA-N 0 0 275.352 3.228 20 10 CGCDRN CCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000163751199 622800286 /nfs/dbraw/zinc/80/02/86/622800286.db2.gz YURBTFBQDMKJDU-SECBINFHSA-N 0 0 272.186 3.433 20 10 CGCDRN COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000062744789 623264405 /nfs/dbraw/zinc/26/44/05/623264405.db2.gz CKWPOJMEWRXKCO-GFCCVEGCSA-N 0 0 289.350 3.433 20 10 CGCDRN C[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(F)cc1O ZINC000062744957 623264524 /nfs/dbraw/zinc/26/45/24/623264524.db2.gz QMKUSSMQMVBYIY-SECBINFHSA-N 0 0 275.279 3.433 20 10 CGCDRN O=C1N[C@H](c2cc(F)ccc2O)Nc2cccc(Cl)c21 ZINC000172863536 623285733 /nfs/dbraw/zinc/28/57/33/623285733.db2.gz WSHFRKHTVNJLSW-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN Cc1csc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000063133082 623301789 /nfs/dbraw/zinc/30/17/89/623301789.db2.gz VMUQBEVRLQSMRC-SNVBAGLBSA-N 0 0 280.368 3.190 20 10 CGCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1cc(C)ccc1C ZINC000914528584 623819212 /nfs/dbraw/zinc/81/92/12/623819212.db2.gz FDOIVEWCQUXXFY-HJWRWDBZSA-N 0 0 283.375 3.103 20 10 CGCDRN CC(C)SCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000915081284 623893934 /nfs/dbraw/zinc/89/39/34/623893934.db2.gz QESDDTIVQDAVOC-UHFFFAOYSA-N 0 0 292.448 3.045 20 10 CGCDRN c1cc2sc(-c3ccc(N4CCOCC4)cc3)nc2cn1 ZINC000916855155 624218375 /nfs/dbraw/zinc/21/83/75/624218375.db2.gz XYIIYBVVEPNDMF-UHFFFAOYSA-N 0 0 297.383 3.195 20 10 CGCDRN O=C1N[C@H](c2cc(Cl)ccc2O)Nc2cc(F)ccc21 ZINC000917501430 624274552 /nfs/dbraw/zinc/27/45/52/624274552.db2.gz GLHKNFSZJKDXJL-CYBMUJFWSA-N 0 0 292.697 3.039 20 10 CGCDRN COc1cccc(CNC(=O)/C=C(/C)C(C)(C)C)c1O ZINC000154427848 624277627 /nfs/dbraw/zinc/27/76/27/624277627.db2.gz NSPGJRDLGXXFOB-LUAWRHEFSA-N 0 0 277.364 3.009 20 10 CGCDRN Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000917716138 624306691 /nfs/dbraw/zinc/30/66/91/624306691.db2.gz QJZJYFNTJBUKPZ-KHPPLWFESA-N 0 0 289.356 3.113 20 10 CGCDRN COc1cccc(CNC(=O)NCCCC(C)(C)C)c1O ZINC000175214186 624619803 /nfs/dbraw/zinc/61/98/03/624619803.db2.gz PIERVJUOQHMPJH-UHFFFAOYSA-N 0 0 294.395 3.026 20 10 CGCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000180661149 624762224 /nfs/dbraw/zinc/76/22/24/624762224.db2.gz AURNRNYIXHFLCM-CRALRDPISA-N 0 0 295.338 3.261 20 10 CGCDRN CCOc1ccc(C#N)cc1NCc1cc(OC)ccc1O ZINC000181417913 624858769 /nfs/dbraw/zinc/85/87/69/624858769.db2.gz IQNSOKZTMRYQHC-UHFFFAOYSA-N 0 0 298.342 3.283 20 10 CGCDRN Cc1cccnc1CNC(=S)Nc1ccc(F)cc1 ZINC000243443738 625008095 /nfs/dbraw/zinc/00/80/95/625008095.db2.gz NDHFGADTHTZRLX-UHFFFAOYSA-N 0 0 275.352 3.016 20 10 CGCDRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nccs1 ZINC000072016373 625220492 /nfs/dbraw/zinc/22/04/92/625220492.db2.gz HCZLSULQOYPNRQ-GHMZBOCLSA-N 0 0 284.450 3.415 20 10 CGCDRN CCn1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922169007 625978689 /nfs/dbraw/zinc/97/86/89/625978689.db2.gz QHCRYTMVIFEYKF-ZDUSSCGKSA-N 0 0 285.391 3.079 20 10 CGCDRN Cc1cnc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c(C)c1 ZINC000922741393 626039699 /nfs/dbraw/zinc/03/96/99/626039699.db2.gz LMWBSGLHTYDLLX-UHFFFAOYSA-N 0 0 294.757 3.486 20 10 CGCDRN O=C(/C=C/c1cccnc1)N1CCCc2cccc(F)c21 ZINC000073842933 626070606 /nfs/dbraw/zinc/07/06/06/626070606.db2.gz DVGPEFKBKQAJGF-CMDGGOBGSA-N 0 0 282.318 3.213 20 10 CGCDRN CCCN(CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873761396 634477283 /nfs/dbraw/zinc/47/72/83/634477283.db2.gz BGLVEKZAOSIARJ-UHFFFAOYSA-N 0 0 288.351 3.111 20 10 CGCDRN C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000756626303 626154516 /nfs/dbraw/zinc/15/45/16/626154516.db2.gz CAXODBTXWNYANJ-NSHDSACASA-N 0 0 297.370 3.304 20 10 CGCDRN Fc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000020090676 634482068 /nfs/dbraw/zinc/48/20/68/634482068.db2.gz AUKPHEMPURTGNB-UHFFFAOYSA-N 0 0 286.350 3.274 20 10 CGCDRN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000839193321 626329176 /nfs/dbraw/zinc/32/91/76/626329176.db2.gz WXGBGWJKCOWCSX-NEPJUHHUSA-N 0 0 290.190 3.356 20 10 CGCDRN CCOc1ccc(CSc2nccs2)nc1 ZINC000751483206 626392579 /nfs/dbraw/zinc/39/25/79/626392579.db2.gz QRAWHMFOUIEQBW-UHFFFAOYSA-N 0 0 252.364 3.229 20 10 CGCDRN Cc1ccc(F)c(NC(=S)NCc2ncccc2F)c1 ZINC000752767035 626438291 /nfs/dbraw/zinc/43/82/91/626438291.db2.gz XHCBOAHEBXCYGB-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Fc1cccnc1CNC(=S)Nc1ccccc1Cl ZINC000752766976 626438325 /nfs/dbraw/zinc/43/83/25/626438325.db2.gz VJXGPYIYEGQGQS-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN C[C@@H]1CC/C(=C/C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000753599408 626457939 /nfs/dbraw/zinc/45/79/39/626457939.db2.gz JIQBNGKQCDVBFP-QAALXFNPSA-N 0 0 298.430 3.432 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(C)o1 ZINC000754077485 626474576 /nfs/dbraw/zinc/47/45/76/626474576.db2.gz YXFFMYQYTLPPAY-UHFFFAOYSA-N 0 0 287.359 3.275 20 10 CGCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(C)nc1 ZINC000754415811 626571443 /nfs/dbraw/zinc/57/14/43/626571443.db2.gz JAZPHFDRTYCZNC-SOFGYWHQSA-N 0 0 278.355 3.301 20 10 CGCDRN CCN(Cc1cc(C)cc(OC)c1O)CC(F)(F)F ZINC000754727321 626584862 /nfs/dbraw/zinc/58/48/62/626584862.db2.gz XFCQVHCSVLZWLX-UHFFFAOYSA-N 0 0 277.286 3.093 20 10 CGCDRN CCC[C@H](C)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000756387258 626700025 /nfs/dbraw/zinc/70/00/25/626700025.db2.gz KKXGUBWZTPGHSG-XJKSGUPXSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756586725 626718721 /nfs/dbraw/zinc/71/87/21/626718721.db2.gz TZAGUWSYFFEYMZ-ZUZCIYMTSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(F)cc(F)c1[O-] ZINC000756656460 626725166 /nfs/dbraw/zinc/72/51/66/626725166.db2.gz XXVRAJPVSRLFHJ-YZENIEGJSA-N 0 0 297.345 3.279 20 10 CGCDRN C[C@@H]([NH2+]CCc1cscn1)c1cc(F)cc(F)c1[O-] ZINC000756660127 626725425 /nfs/dbraw/zinc/72/54/25/626725425.db2.gz IJNKIEADHUMULR-MRVPVSSYSA-N 0 0 284.331 3.020 20 10 CGCDRN CC(C)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756664909 626725990 /nfs/dbraw/zinc/72/59/90/626725990.db2.gz RCPPCCFDBZOOOF-LLVKDONJSA-N 0 0 298.377 3.194 20 10 CGCDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756769208 626730918 /nfs/dbraw/zinc/73/09/18/626730918.db2.gz CQMWTXZJRAHQLI-JTQLQIEISA-N 0 0 287.350 3.120 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000756790716 626732301 /nfs/dbraw/zinc/73/23/01/626732301.db2.gz OPUQDHILERUJHP-ANGCBRKESA-N 0 0 281.371 3.241 20 10 CGCDRN COc1ncccc1NCc1cccc(Cl)c1O ZINC000124861665 634521388 /nfs/dbraw/zinc/52/13/88/634521388.db2.gz GGSDPTZGIAJJEJ-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CCc1cccnc1)CCC2 ZINC000839656463 626770707 /nfs/dbraw/zinc/77/07/07/626770707.db2.gz MDPSBRAUJQVHNV-UHFFFAOYSA-N 0 0 298.386 3.094 20 10 CGCDRN Cc1ccccc1CCC(=O)N(C)Cc1ccccc1O ZINC000103520587 626777062 /nfs/dbraw/zinc/77/70/62/626777062.db2.gz SRQJIJYBMUNCTF-UHFFFAOYSA-N 0 0 283.371 3.292 20 10 CGCDRN CN(C)c1ccc(OCCN(C)c2ccccc2)cc1 ZINC000757702963 626802463 /nfs/dbraw/zinc/80/24/63/626802463.db2.gz GTDMXVMBZRJBDW-UHFFFAOYSA-N 0 0 270.376 3.268 20 10 CGCDRN COc1ccc(N(C)CCCOC(C)(C)C)cc1F ZINC000757851241 626810298 /nfs/dbraw/zinc/81/02/98/626810298.db2.gz GNWPJXXFRSEPBN-UHFFFAOYSA-N 0 0 269.360 3.476 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(C)nc2)cc1Cl ZINC000757857943 626810946 /nfs/dbraw/zinc/81/09/46/626810946.db2.gz YRCJGWXJHUBMJP-UHFFFAOYSA-N 0 0 277.755 3.083 20 10 CGCDRN COc1ccc(C[N@H+](C)Cc2cc(C)c(C)cc2O)cn1 ZINC000757914114 626813856 /nfs/dbraw/zinc/81/38/56/626813856.db2.gz VVBISMMZYKKPKU-UHFFFAOYSA-N 0 0 286.375 3.045 20 10 CGCDRN Cc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC000758521064 626847353 /nfs/dbraw/zinc/84/73/53/626847353.db2.gz CRUYNHITYZRIQI-VURMDHGXSA-N 0 0 298.338 3.471 20 10 CGCDRN Nc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000020327128 634530527 /nfs/dbraw/zinc/53/05/27/634530527.db2.gz WYXFVXVIWLQKGS-UHFFFAOYSA-N 0 0 270.332 3.067 20 10 CGCDRN C[C@@H]1CCC[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000759589826 626908025 /nfs/dbraw/zinc/90/80/25/626908025.db2.gz UOBUCNBTONDTKI-AGMJWKPSSA-N 0 0 290.359 3.481 20 10 CGCDRN CCC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760018507 626936952 /nfs/dbraw/zinc/93/69/52/626936952.db2.gz OYJOOBODYRGNNY-JTQLQIEISA-N 0 0 266.341 3.387 20 10 CGCDRN CCN1C(=O)/C(=C/c2cnc(Cl)c(C)c2)SC1=S ZINC000760212189 626945022 /nfs/dbraw/zinc/94/50/22/626945022.db2.gz IWRDPQMWDFEMHW-UITAMQMPSA-N 0 0 298.820 3.265 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2=C(C)CCC2)c1 ZINC000761969686 627076622 /nfs/dbraw/zinc/07/66/22/627076622.db2.gz ZIPMHUAJGMEVDF-LLVKDONJSA-N 0 0 275.348 3.078 20 10 CGCDRN c1ccn(-c2ccc(-c3nc([C@H]4CCCO4)no3)cc2)c1 ZINC000762242318 627102505 /nfs/dbraw/zinc/10/25/05/627102505.db2.gz KGNCNDGTWNKWEQ-CQSZACIVSA-N 0 0 281.315 3.379 20 10 CGCDRN COc1cc(COc2ccc(N3CCCC3)cc2)ccn1 ZINC000762464067 627111216 /nfs/dbraw/zinc/11/12/16/627111216.db2.gz XEOIHBPXZFKCKN-UHFFFAOYSA-N 0 0 284.359 3.269 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C2/CC[C@@H](C)C2)c1 ZINC000762804722 627125217 /nfs/dbraw/zinc/12/52/17/627125217.db2.gz IDSQDLBUOFNCMA-YFNPVVSBSA-N 0 0 289.375 3.324 20 10 CGCDRN CCC(=O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000765457963 627251073 /nfs/dbraw/zinc/25/10/73/627251073.db2.gz JATPMEDLBJTGPV-UHFFFAOYSA-N 0 0 298.386 3.111 20 10 CGCDRN Cc1cc(CSc2ncc(-c3ccccc3)n2C)nn1C ZINC000767716671 627432139 /nfs/dbraw/zinc/43/21/39/627432139.db2.gz TVHGQYHEVLKINQ-UHFFFAOYSA-N 0 0 298.415 3.421 20 10 CGCDRN O=C(OCCc1ccc(F)c(F)c1)C1=CC(=O)CS1 ZINC000768611466 627489506 /nfs/dbraw/zinc/48/95/06/627489506.db2.gz ZFUUBZWNHWDVLW-UHFFFAOYSA-N 0 0 284.283 3.131 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)Cc1cc2ccccc2o1 ZINC000769283307 627535676 /nfs/dbraw/zinc/53/56/76/627535676.db2.gz SSTXDALNZUWMQM-UHFFFAOYSA-N 0 0 295.338 3.340 20 10 CGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000769515430 627561725 /nfs/dbraw/zinc/56/17/25/627561725.db2.gz QEIPCYPJBVGMMZ-SNVBAGLBSA-N 0 0 296.754 3.186 20 10 CGCDRN CC(C)CO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000770325396 627613690 /nfs/dbraw/zinc/61/36/90/627613690.db2.gz HOEQBDIADXYRRJ-LBPRGKRZSA-N 0 0 283.799 3.293 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC2(C)C)cc1F ZINC000771984599 627752428 /nfs/dbraw/zinc/75/24/28/627752428.db2.gz JITYANLTYDTUBA-CYBMUJFWSA-N 0 0 292.398 3.334 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc(N(C)C)cc2)c1 ZINC000772106188 627762822 /nfs/dbraw/zinc/76/28/22/627762822.db2.gz KCPPZUYWFXSXSM-YHYXMXQVSA-N 0 0 295.386 3.132 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cc(C)ccc1O ZINC000772598177 627805596 /nfs/dbraw/zinc/80/55/96/627805596.db2.gz IVVCEXPSAZLRTE-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000772993872 627838648 /nfs/dbraw/zinc/83/86/48/627838648.db2.gz IVFQIZNVNAYEAX-WMZOPIPTSA-N 0 0 288.435 3.359 20 10 CGCDRN C[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000772996310 627839621 /nfs/dbraw/zinc/83/96/21/627839621.db2.gz CXBJCNFGXQRBLT-VHSXEESVSA-N 0 0 288.313 3.128 20 10 CGCDRN CCCSCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773000880 627840139 /nfs/dbraw/zinc/84/01/39/627840139.db2.gz QGHOLSYDYGEBDA-LBPRGKRZSA-N 0 0 280.437 3.073 20 10 CGCDRN Cc1cnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000773008528 627841589 /nfs/dbraw/zinc/84/15/89/627841589.db2.gz FSBWIWUYGGMPCN-AWEZNQCLSA-N 0 0 297.402 3.255 20 10 CGCDRN CC/C=C(\C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773012334 627842505 /nfs/dbraw/zinc/84/25/05/627842505.db2.gz UVGXIYNRMBVBNJ-WHGQRRHOSA-N 0 0 260.381 3.286 20 10 CGCDRN CC(C)[C@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018869 627843179 /nfs/dbraw/zinc/84/31/79/627843179.db2.gz IUBTUKHZPJZFOD-APHBMKBZSA-N 0 0 274.408 3.222 20 10 CGCDRN C[C@H](NCc1ccn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000773134769 627861330 /nfs/dbraw/zinc/86/13/30/627861330.db2.gz ZRIPMLOQXZMNEG-HNNXBMFYSA-N 0 0 298.434 3.261 20 10 CGCDRN CCN(C)c1ccc(C[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000773816859 627917251 /nfs/dbraw/zinc/91/72/51/627917251.db2.gz GZIOFZWEMUOWIA-IBGZPJMESA-N 0 0 298.430 3.356 20 10 CGCDRN CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(C)c1O ZINC000775643034 628118528 /nfs/dbraw/zinc/11/85/28/628118528.db2.gz RPWOIFPHFJNXDQ-FZMZJTMJSA-N 0 0 283.799 3.353 20 10 CGCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])C(C)(C)CO1 ZINC000775702574 628127548 /nfs/dbraw/zinc/12/75/48/628127548.db2.gz BIUFTMDZHNDKGV-UHFFFAOYSA-N 0 0 283.799 3.435 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](CO)C(C)(C)C ZINC000775734411 628130128 /nfs/dbraw/zinc/13/01/28/628130128.db2.gz OSBJFCAPSKIBRQ-LBPRGKRZSA-N 0 0 289.778 3.024 20 10 CGCDRN COc1cc(F)c(NCc2cccc(C)c2O)cc1OC ZINC000775749942 628132917 /nfs/dbraw/zinc/13/29/17/628132917.db2.gz PIDLCTFYADJCIX-UHFFFAOYSA-N 0 0 291.322 3.469 20 10 CGCDRN COc1ccc(O)c(CNc2cc(F)cc(F)c2OC)c1 ZINC000775756776 628133580 /nfs/dbraw/zinc/13/35/80/628133580.db2.gz SBVRNGVPNDVCMA-UHFFFAOYSA-N 0 0 295.285 3.300 20 10 CGCDRN CCCCOC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835670 628141285 /nfs/dbraw/zinc/14/12/85/628141285.db2.gz HSYSDNCJOVPQAX-KBPBESRZSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@H](CC1CCOCC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776232752 628183106 /nfs/dbraw/zinc/18/31/06/628183106.db2.gz VHJRTYWMDJOYRQ-LLVKDONJSA-N 0 0 283.799 3.340 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCSC1 ZINC000776230859 628183305 /nfs/dbraw/zinc/18/33/05/628183305.db2.gz AZXJBJFKBFIHBK-SNVBAGLBSA-N 0 0 275.776 3.170 20 10 CGCDRN CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000776236931 628183930 /nfs/dbraw/zinc/18/39/30/628183930.db2.gz CYWQSALULOLZTJ-ZDUSSCGKSA-N 0 0 289.423 3.398 20 10 CGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCC(F)(F)C2)c1 ZINC000776294047 628189929 /nfs/dbraw/zinc/18/99/29/628189929.db2.gz VSIYIRRVMDQXTB-UHFFFAOYSA-N 0 0 285.334 3.236 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H](C)C1 ZINC000776324644 628193092 /nfs/dbraw/zinc/19/30/92/628193092.db2.gz OEUMFLRERLWXKY-GXTWGEPZSA-N 0 0 274.408 3.113 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N1CCc2ccccc2C1 ZINC000776421986 628209480 /nfs/dbraw/zinc/20/94/80/628209480.db2.gz BPIQLOFPUOIVBN-UHFFFAOYSA-N 0 0 296.370 3.002 20 10 CGCDRN Oc1cccc(Cl)c1CNc1cnc2c(c1)COCC2 ZINC000776957556 628241136 /nfs/dbraw/zinc/24/11/36/628241136.db2.gz BYLKIKCRGPBAPA-UHFFFAOYSA-N 0 0 290.750 3.125 20 10 CGCDRN CCOc1ccc(N(C)CC(=O)c2cc(C)[nH]c2C)cc1 ZINC000777588408 628286020 /nfs/dbraw/zinc/28/60/20/628286020.db2.gz IAEWOQOPZXYFQE-UHFFFAOYSA-N 0 0 286.375 3.349 20 10 CGCDRN CC(C)c1cccnc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779536219 628416449 /nfs/dbraw/zinc/41/64/49/628416449.db2.gz WVECMNWKQNVSLR-SOFGYWHQSA-N 0 0 298.342 3.268 20 10 CGCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1ccc(C)cc1 ZINC000779653110 628419458 /nfs/dbraw/zinc/41/94/58/628419458.db2.gz RJHLEPPXEKOUKX-RMKNXTFCSA-N 0 0 282.343 3.162 20 10 CGCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1C ZINC000779655122 628419572 /nfs/dbraw/zinc/41/95/72/628419572.db2.gz DWLBPXPJPXKZIK-ALCCZGGFSA-N 0 0 282.343 3.080 20 10 CGCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(O)c1)CCC2 ZINC000779665277 628420128 /nfs/dbraw/zinc/42/01/28/628420128.db2.gz VCWDYVUCIBZCBO-ALCCZGGFSA-N 0 0 294.354 3.088 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000780482750 628492510 /nfs/dbraw/zinc/49/25/10/628492510.db2.gz KGZGYMFUQRDPBV-GDBMZVCRSA-N 0 0 299.418 3.051 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000780622108 628505557 /nfs/dbraw/zinc/50/55/57/628505557.db2.gz QEQNNHMDZBRZDZ-UMVBOHGHSA-N 0 0 289.423 3.301 20 10 CGCDRN Oc1cc2c(cc1CN1CC3(CC3)c3ccccc31)OCO2 ZINC000780774321 628516025 /nfs/dbraw/zinc/51/60/25/628516025.db2.gz LDQDZYMZYHVLEW-UHFFFAOYSA-N 0 0 295.338 3.173 20 10 CGCDRN CN(C)c1ccc(CNCc2nc3ccccc3o2)cc1 ZINC000781058199 628532160 /nfs/dbraw/zinc/53/21/60/628532160.db2.gz WXVOSOYZZGJDMQ-UHFFFAOYSA-N 0 0 281.359 3.184 20 10 CGCDRN CCCC[C@@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782986516 628671434 /nfs/dbraw/zinc/67/14/34/628671434.db2.gz NOBRAWHOQMZTHH-LLVKDONJSA-N 0 0 294.347 3.040 20 10 CGCDRN Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1C ZINC000783539367 628722939 /nfs/dbraw/zinc/72/29/39/628722939.db2.gz BPUSRZIZVQMGQL-MJBXVCDLSA-N 0 0 263.381 3.007 20 10 CGCDRN O=C(NCc1ccccc1O)C1(Cc2ccc(F)cc2)CC1 ZINC000783677207 628738512 /nfs/dbraw/zinc/73/85/12/628738512.db2.gz WWDNTSIMBMDRHZ-UHFFFAOYSA-N 0 0 299.345 3.170 20 10 CGCDRN CCc1nnc(CN2CCCc3cc(OC)ccc32)s1 ZINC000784126828 628782943 /nfs/dbraw/zinc/78/29/43/628782943.db2.gz SWRWXFKLQDPRGN-UHFFFAOYSA-N 0 0 289.404 3.062 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)N3CC=CC3)cc2)CC1 ZINC000875258721 634686412 /nfs/dbraw/zinc/68/64/12/634686412.db2.gz DZIGXBLDIRGRKF-UHFFFAOYSA-N 0 0 299.418 3.004 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C12CCC(CC1)C2 ZINC000785235157 628854879 /nfs/dbraw/zinc/85/48/79/628854879.db2.gz YIAPTVGPCPFDRQ-UHFFFAOYSA-N 0 0 298.430 3.483 20 10 CGCDRN CCOc1ccc(CN[C@@H](CC)C(F)(F)F)c(O)c1 ZINC000786836267 628967032 /nfs/dbraw/zinc/96/70/32/628967032.db2.gz LMJNCZFNKNVZPD-LBPRGKRZSA-N 0 0 277.286 3.221 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000875397297 634697198 /nfs/dbraw/zinc/69/71/98/634697198.db2.gz ZDYLWYGSDOBODC-GHMZBOCLSA-N 0 0 298.333 3.330 20 10 CGCDRN COc1ccc(N(CCOCC(F)F)CC(C)C)cc1 ZINC000787258714 629005267 /nfs/dbraw/zinc/00/52/67/629005267.db2.gz BZYFYLKGZJJORZ-UHFFFAOYSA-N 0 0 287.350 3.439 20 10 CGCDRN COC[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788562337 629064984 /nfs/dbraw/zinc/06/49/84/629064984.db2.gz GVZXHDMRTGLRBF-ZJUUUORDSA-N 0 0 291.313 3.344 20 10 CGCDRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000789862665 629170862 /nfs/dbraw/zinc/17/08/62/629170862.db2.gz KXXNEFFQIOFTPC-DFIPAEPRSA-N 0 0 289.375 3.004 20 10 CGCDRN CCCCCC[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000790070198 629181746 /nfs/dbraw/zinc/18/17/46/629181746.db2.gz KJLNIRXDWZSUGZ-JTQLQIEISA-N 0 0 283.343 3.326 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCC=C(C)C)c1 ZINC000790516521 629214828 /nfs/dbraw/zinc/21/48/28/629214828.db2.gz BAQNIYIKIBHSNX-LBPRGKRZSA-N 0 0 292.379 3.117 20 10 CGCDRN CCOc1cc(NC(=O)c2cccc(O)c2O)ccc1C ZINC000790631351 629221453 /nfs/dbraw/zinc/22/14/53/629221453.db2.gz MTCNFSVXVWWTJZ-UHFFFAOYSA-N 0 0 287.315 3.057 20 10 CGCDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000790955658 629242909 /nfs/dbraw/zinc/24/29/09/629242909.db2.gz HINPTYSZQFNSHS-MRVPVSSYSA-N 0 0 257.736 3.320 20 10 CGCDRN CO[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1(C)C ZINC000790972025 629244917 /nfs/dbraw/zinc/24/49/17/629244917.db2.gz BQIKKOJADRSJRZ-RYUDHWBXSA-N 0 0 287.762 3.088 20 10 CGCDRN CC[C@@H](C)n1ncc(NCc2cccc(OC)c2O)c1C ZINC000791004524 629248933 /nfs/dbraw/zinc/24/89/33/629248933.db2.gz LGSSSZLBJOJYCX-LLVKDONJSA-N 0 0 289.379 3.489 20 10 CGCDRN CCN(CC)c1ccc(CN(C)Cc2cnc(C)o2)cc1 ZINC000862214098 629324625 /nfs/dbraw/zinc/32/46/25/629324625.db2.gz FOXZLYVGFYNYMA-UHFFFAOYSA-N 0 0 287.407 3.461 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000792171096 629343431 /nfs/dbraw/zinc/34/34/31/629343431.db2.gz YCYTUOKUXQFPCZ-IUCAKERBSA-N 0 0 257.736 3.415 20 10 CGCDRN CC(C)(C)C[N@H+](CCO)Cc1c([O-])ccc(Cl)c1F ZINC000792167860 629344123 /nfs/dbraw/zinc/34/41/23/629344123.db2.gz SPGPNWJJWAKSTG-UHFFFAOYSA-N 0 0 289.778 3.025 20 10 CGCDRN Oc1ccccc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000862431174 629370551 /nfs/dbraw/zinc/37/05/51/629370551.db2.gz DYQYWXIPUDMJLH-JTQLQIEISA-N 0 0 288.294 3.242 20 10 CGCDRN CCOc1ccc(CN2Cc3ccc(O)cc3C2)c(O)c1 ZINC000862450442 629381409 /nfs/dbraw/zinc/38/14/09/629381409.db2.gz TXNTWVQZHRTPTC-UHFFFAOYSA-N 0 0 285.343 3.012 20 10 CGCDRN Cc1ccc(CCCN(C)c2ccc3c(c2)OCO3)cn1 ZINC000793063310 629407020 /nfs/dbraw/zinc/40/70/20/629407020.db2.gz QPSSXHZUDXQZNR-UHFFFAOYSA-N 0 0 284.359 3.188 20 10 CGCDRN COc1c(C)cc(C(=O)NCc2cc(C)ccc2O)cc1C ZINC000862757219 629430174 /nfs/dbraw/zinc/43/01/74/629430174.db2.gz LPQMJIZFEYKGIK-UHFFFAOYSA-N 0 0 299.370 3.256 20 10 CGCDRN CN1C(=O)/C(=C\c2ccc3c(c2)CCCC3)SC1=S ZINC000794183991 629519928 /nfs/dbraw/zinc/51/99/28/629519928.db2.gz CUDHTQGSDBJGKE-UKTHLTGXSA-N 0 0 289.425 3.396 20 10 CGCDRN CCC[C@](C)(CC)C(=O)NCc1ccc(OC)cc1O ZINC000794387934 629538223 /nfs/dbraw/zinc/53/82/23/629538223.db2.gz PCKBRRXJPFFNKE-INIZCTEOSA-N 0 0 279.380 3.233 20 10 CGCDRN CO[C@H](C)c1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000863558512 629606487 /nfs/dbraw/zinc/60/64/87/629606487.db2.gz LSUQFNPGEQWRLF-SNVBAGLBSA-N 0 0 277.393 3.069 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC000795080399 629630221 /nfs/dbraw/zinc/63/02/21/629630221.db2.gz JOLSJKBIKLNGAF-VHSXEESVSA-N 0 0 299.317 3.013 20 10 CGCDRN C[NH+](C)Cc1cccc(NCc2ccc(F)c(F)c2[O-])c1 ZINC000864019637 629728347 /nfs/dbraw/zinc/72/83/47/629728347.db2.gz LDEBSBUODAZQOR-UHFFFAOYSA-N 0 0 292.329 3.344 20 10 CGCDRN CCOc1ccc(N(CCc2cnn(C)c2)CC2CC2)cc1 ZINC000864032927 629732184 /nfs/dbraw/zinc/73/21/84/629732184.db2.gz JXRHGZUXTGUBRT-UHFFFAOYSA-N 0 0 299.418 3.278 20 10 CGCDRN [O-]c1c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)ccc(F)c1F ZINC000864051041 629743890 /nfs/dbraw/zinc/74/38/90/629743890.db2.gz YWRLYUCGTBXKRK-ZFWWWQNUSA-N 0 0 297.345 3.108 20 10 CGCDRN COc1ccc(N(CCC(C)C)Cc2cncn2C)cc1 ZINC000796503788 629790548 /nfs/dbraw/zinc/79/05/48/629790548.db2.gz KBAGMHBDCNYACY-UHFFFAOYSA-N 0 0 287.407 3.481 20 10 CGCDRN C[C@H](CCCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798181467 630030671 /nfs/dbraw/zinc/03/06/71/630030671.db2.gz KLXRXLIBVLVXOX-NXEZZACHSA-N 0 0 291.313 3.223 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1cn(C(C)C)nc1C ZINC000798941477 630127538 /nfs/dbraw/zinc/12/75/38/630127538.db2.gz YTRJUIIXRBJDOW-UHFFFAOYSA-N 0 0 285.391 3.344 20 10 CGCDRN Oc1ccccc1CNc1nccn2nc(C3CCC3)cc12 ZINC000865486619 630147467 /nfs/dbraw/zinc/14/74/67/630147467.db2.gz BPUFQZRWDJRDAX-UHFFFAOYSA-N 0 0 294.358 3.315 20 10 CGCDRN CCN(C(=O)C1=CC(=O)CS1)C1CC(C)(C)C1 ZINC000839891112 630232978 /nfs/dbraw/zinc/23/29/78/630232978.db2.gz OOUGIXXQGGDSFH-UHFFFAOYSA-N 0 0 253.367 3.104 20 10 CGCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000799862886 630235115 /nfs/dbraw/zinc/23/51/15/630235115.db2.gz INEVEEYIZQIMKL-CYBMUJFWSA-N 0 0 262.397 3.195 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC(C)(F)F ZINC000839921518 630297581 /nfs/dbraw/zinc/29/75/81/630297581.db2.gz KNASSVTUDPISCZ-LBPRGKRZSA-N 0 0 298.377 3.154 20 10 CGCDRN Cc1ccc(/C=C\C(=O)N2CCc3cc(F)ccc32)cn1 ZINC000801076289 630322723 /nfs/dbraw/zinc/32/27/23/630322723.db2.gz ZVSSYDGNXVYZRS-DAXSKMNVSA-N 0 0 282.318 3.132 20 10 CGCDRN CCCCN(Cc1nc(CC)no1)Cc1ccccc1O ZINC000801595310 630346966 /nfs/dbraw/zinc/34/69/66/630346966.db2.gz LMUSHBUSNFNFBP-UHFFFAOYSA-N 0 0 289.379 3.140 20 10 CGCDRN CSc1ccccc1C(=O)N1CCSC[C@@H]1C1CC1 ZINC000836857913 634817278 /nfs/dbraw/zinc/81/72/78/634817278.db2.gz FNJPMUBLUDBKJR-CYBMUJFWSA-N 0 0 293.457 3.376 20 10 CGCDRN CC(=O)c1cc(NCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000804398551 630525757 /nfs/dbraw/zinc/52/57/57/630525757.db2.gz KCNURTGJNCLCLY-UHFFFAOYSA-N 0 0 286.287 3.115 20 10 CGCDRN Fc1ccc(NCCCSc2nccs2)nc1 ZINC000804453502 630528373 /nfs/dbraw/zinc/52/83/73/630528373.db2.gz YHRQFLDDCMHBAF-UHFFFAOYSA-N 0 0 269.370 3.272 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1cccc(Cl)c1[O-] ZINC000806144952 630548877 /nfs/dbraw/zinc/54/88/77/630548877.db2.gz YQOMRCIBMDLGSX-SMDDNHRTSA-N 0 0 285.815 3.495 20 10 CGCDRN Cc1ccn(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2)n1 ZINC000807566408 630593273 /nfs/dbraw/zinc/59/32/73/630593273.db2.gz RWZITEWDGJEBJW-UHFFFAOYSA-N 0 0 299.355 3.200 20 10 CGCDRN Cc1c(NCc2cc(C)ccc2O)n[nH]c1C(C)C ZINC000842749637 635458524 /nfs/dbraw/zinc/45/85/24/635458524.db2.gz PDPBJHMVJPBBSY-UHFFFAOYSA-N 0 0 259.353 3.468 20 10 CGCDRN Cc1cc(O)c(CNc2cccc3c2COC3=O)cc1C ZINC000809791339 630810719 /nfs/dbraw/zinc/81/07/19/630810719.db2.gz WZHNRFWQKMRFQT-UHFFFAOYSA-N 0 0 283.327 3.292 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CCF)CC1 ZINC000809986944 630823920 /nfs/dbraw/zinc/82/39/20/630823920.db2.gz PRWVQQHNJMPWJZ-UHFFFAOYSA-N 0 0 292.398 3.241 20 10 CGCDRN C[C@H](NC(=O)[C@@H]1CCCSC1)c1ccc(N(C)C)cc1 ZINC000810687186 630927697 /nfs/dbraw/zinc/92/76/97/630927697.db2.gz JTSVIPQGFBUJER-GXTWGEPZSA-N 0 0 292.448 3.073 20 10 CGCDRN C[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CC(F)F ZINC000842890484 635505331 /nfs/dbraw/zinc/50/53/31/635505331.db2.gz OPVPAHKXKVKDAH-RKDXNWHRSA-N 0 0 288.294 3.242 20 10 CGCDRN COCC1(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000842891245 635506236 /nfs/dbraw/zinc/50/62/36/635506236.db2.gz QZXRVNXBDKKVNA-JTQLQIEISA-N 0 0 285.334 3.138 20 10 CGCDRN c1[nH]nc2c1N(Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC000811497652 631076096 /nfs/dbraw/zinc/07/60/96/631076096.db2.gz RXPINFVDSYQJMR-UHFFFAOYSA-N 0 0 296.418 3.353 20 10 CGCDRN Oc1ccc2c(c1CNc1cccc(F)n1)CCCC2 ZINC000811808636 631121784 /nfs/dbraw/zinc/12/17/84/631121784.db2.gz MVARSVZSXGROLV-UHFFFAOYSA-N 0 0 272.323 3.417 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(Cl)nn2)cc1C ZINC000811836906 631125733 /nfs/dbraw/zinc/12/57/33/631125733.db2.gz SUTQUMACVCTQNH-UHFFFAOYSA-N 0 0 263.728 3.065 20 10 CGCDRN Cc1cc(N(C)Cc2ccccc2O)c(F)cc1[N+](=O)[O-] ZINC000812461821 631264534 /nfs/dbraw/zinc/26/45/34/631264534.db2.gz JNQIRAIRLHKMPK-UHFFFAOYSA-N 0 0 290.294 3.384 20 10 CGCDRN Fc1ccc(NC(=S)NNc2ccccc2F)cc1 ZINC000812475068 631265549 /nfs/dbraw/zinc/26/55/49/631265549.db2.gz RNJRJYHOXGWCJT-UHFFFAOYSA-N 0 0 279.315 3.278 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCC2CC2)c1 ZINC000812498902 631269711 /nfs/dbraw/zinc/26/97/11/631269711.db2.gz YLBNTFFLEABFHH-NSHDSACASA-N 0 0 277.364 3.158 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc(N)cc2)c(C(C)C)n1 ZINC000876504320 634848976 /nfs/dbraw/zinc/84/89/76/634848976.db2.gz MTTLJNRTZUWHKC-UHFFFAOYSA-N 0 0 269.348 3.348 20 10 CGCDRN COc1ccccc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876532642 634852053 /nfs/dbraw/zinc/85/20/53/634852053.db2.gz KDTNDZZVYJGSSX-UHFFFAOYSA-N 0 0 293.313 3.311 20 10 CGCDRN CC[C@@H](C)CONC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000813719161 631455961 /nfs/dbraw/zinc/45/59/61/631455961.db2.gz LRKOLMOSRIACFN-OLZOCXBDSA-N 0 0 293.411 3.091 20 10 CGCDRN CCc1nc(C)c(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000814179792 631539791 /nfs/dbraw/zinc/53/97/91/631539791.db2.gz YRWZBPUGYHXEHZ-UHFFFAOYSA-N 0 0 298.745 3.333 20 10 CGCDRN CCO[C@@H](C)c1nccn1Cc1ccc(N(C)C)c(C)c1 ZINC000814756193 631634945 /nfs/dbraw/zinc/63/49/45/631634945.db2.gz LAGHFBGGVZHICP-AWEZNQCLSA-N 0 0 287.407 3.403 20 10 CGCDRN COc1ccc(CNc2nccc(C(C)(C)C)n2)c(O)c1 ZINC000814884128 631664027 /nfs/dbraw/zinc/66/40/27/631664027.db2.gz CZSXXSSSHPOQLV-UHFFFAOYSA-N 0 0 287.363 3.100 20 10 CGCDRN CCN(CC)c1ccc(CNCC(C)(F)F)cc1F ZINC000815146540 631729786 /nfs/dbraw/zinc/72/97/86/631729786.db2.gz FUQGCANIRSFTTQ-UHFFFAOYSA-N 0 0 274.330 3.417 20 10 CGCDRN Fc1cc(F)c(CNCc2ccc3c(c2)CCO3)c(F)c1 ZINC000815152513 631731940 /nfs/dbraw/zinc/73/19/40/631731940.db2.gz OOMMFERVGZYWIB-UHFFFAOYSA-N 0 0 293.288 3.329 20 10 CGCDRN C[C@H]([NH2+]C1CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815561744 631795109 /nfs/dbraw/zinc/79/51/09/631795109.db2.gz OVJBTAUCTRVWQR-VIFPVBQESA-N 0 0 289.297 3.241 20 10 CGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cc[nH]c(=O)c1 ZINC000815642536 631810827 /nfs/dbraw/zinc/81/08/27/631810827.db2.gz FKRXBIMTCZSZRD-NXEZZACHSA-N 0 0 276.311 3.044 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)CC(C)(C)C2CC2)c1 ZINC000815835272 631827312 /nfs/dbraw/zinc/82/73/12/631827312.db2.gz OMZXDBPBKWUTCW-NSHDSACASA-N 0 0 291.391 3.404 20 10 CGCDRN C[C@@H](NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000816180386 631895786 /nfs/dbraw/zinc/89/57/86/631895786.db2.gz NSJLXJQQIMHSAQ-LJGDNWOOSA-N 0 0 286.419 3.366 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOC1CCCC1 ZINC000816542358 632005799 /nfs/dbraw/zinc/00/57/99/632005799.db2.gz LYRPGGKBFPASOF-UHFFFAOYSA-N 0 0 287.762 3.234 20 10 CGCDRN CCCCOCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816542912 632007414 /nfs/dbraw/zinc/00/74/14/632007414.db2.gz HBTKSXYUKPOHST-UHFFFAOYSA-N 0 0 275.751 3.091 20 10 CGCDRN C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548616 632007868 /nfs/dbraw/zinc/00/78/68/632007868.db2.gz NASQDZZHMOQIFH-PRHODGIISA-N 0 0 257.736 3.463 20 10 CGCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccncc1 ZINC000816554512 632009776 /nfs/dbraw/zinc/00/97/76/632009776.db2.gz AMWYYXVTBGRXHB-SNVBAGLBSA-N 0 0 294.757 3.473 20 10 CGCDRN COc1ncccc1NCc1cc(Cl)c(F)cc1O ZINC000816557837 632011578 /nfs/dbraw/zinc/01/15/78/632011578.db2.gz DDRKBEUKHCDRIV-UHFFFAOYSA-N 0 0 282.702 3.200 20 10 CGCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000818544860 632331801 /nfs/dbraw/zinc/33/18/01/632331801.db2.gz SGTKRSPZDGHPRA-UHFFFAOYSA-N 0 0 274.408 3.144 20 10 CGCDRN Nc1ccc(CCNC(=O)[C@@H](c2ccccc2)C2CC2)cc1 ZINC000818544654 632332036 /nfs/dbraw/zinc/33/20/36/632332036.db2.gz GCKAPDXRNYENFI-SFHVURJKSA-N 0 0 294.398 3.121 20 10 CGCDRN Cc1cc(Cl)cc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1O ZINC000818630454 632343354 /nfs/dbraw/zinc/34/33/54/632343354.db2.gz GPAPVUQAGHFICK-GFCCVEGCSA-N 0 0 299.798 3.191 20 10 CGCDRN O[C@H](CNc1ccccc1OCCF)Cc1ccccc1 ZINC000819487377 632472101 /nfs/dbraw/zinc/47/21/01/632472101.db2.gz FHCXRDPLIPFKQB-HNNXBMFYSA-N 0 0 289.350 3.050 20 10 CGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)[C@H](C)CC ZINC000819761661 632509166 /nfs/dbraw/zinc/50/91/66/632509166.db2.gz YPRDKLBTZXLGLN-NEPJUHHUSA-N 0 0 284.396 3.176 20 10 CGCDRN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820329617 632606544 /nfs/dbraw/zinc/60/65/44/632606544.db2.gz LDKKLOBMSLELBJ-WDEREUQCSA-N 0 0 290.367 3.404 20 10 CGCDRN C[C@@H](N(C)C(=O)c1ccc(N=NC(N)=O)cc1)C1(C)CC1 ZINC000820699884 632667036 /nfs/dbraw/zinc/66/70/36/632667036.db2.gz BRVQWWZCBDHWIV-SNVBAGLBSA-N 0 0 288.351 3.110 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865752770 632878624 /nfs/dbraw/zinc/87/86/24/632878624.db2.gz CULDAYMFIHYKRO-HTRCEHHLSA-N 0 0 283.652 3.225 20 10 CGCDRN O=C(NCCCSc1nccs1)[C@@]12C[C@@H]1CCCC2 ZINC000865782985 632889260 /nfs/dbraw/zinc/88/92/60/632889260.db2.gz JJIBFNCZFZQUKQ-FZMZJTMJSA-N 0 0 296.461 3.322 20 10 CGCDRN NC(=O)N=Nc1ccc(C(=O)NCC2=CCCCC2)cc1 ZINC000823242876 633081192 /nfs/dbraw/zinc/08/11/92/633081192.db2.gz PLGXMTSUZBDEGM-UHFFFAOYSA-N 0 0 286.335 3.079 20 10 CGCDRN Cc1sccc1C(=O)NCCCSc1nccs1 ZINC000823298083 633087837 /nfs/dbraw/zinc/08/78/37/633087837.db2.gz NOJFVVSOJFYEPW-UHFFFAOYSA-N 0 0 298.458 3.425 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866450560 633139611 /nfs/dbraw/zinc/13/96/11/633139611.db2.gz WWKBEUCCUJERDS-JIMOISOXSA-N 0 0 282.315 3.232 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000866501182 633162388 /nfs/dbraw/zinc/16/23/88/633162388.db2.gz YTVNNMRPCIIVKO-DPKJLXEKSA-N 0 0 281.224 3.272 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(N(C)C)cc1 ZINC000844484783 635916106 /nfs/dbraw/zinc/91/61/06/635916106.db2.gz IHXDMDPWWXJCCG-OAUYIBNBSA-N 0 0 286.419 3.366 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(F)cc1[O-] ZINC000866632667 633221713 /nfs/dbraw/zinc/22/17/13/633221713.db2.gz AYWAVRXITZSEOW-KGLIPLIRSA-N 0 0 289.354 3.304 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824408805 633242453 /nfs/dbraw/zinc/24/24/53/633242453.db2.gz SKAODXCEIZYNGF-SNVBAGLBSA-N 0 0 290.367 3.404 20 10 CGCDRN C[C@H](NC(=O)OCCC(F)(F)F)c1ccccc1O ZINC000867836538 633271351 /nfs/dbraw/zinc/27/13/51/633271351.db2.gz WROURSFBEOLQGG-QMMMGPOBSA-N 0 0 277.242 3.132 20 10 CGCDRN CN(C)c1ccc(CN(Cc2ccns2)C2CC2)cc1 ZINC000876570714 634860071 /nfs/dbraw/zinc/86/00/71/634860071.db2.gz MLVPIEXTVALBNJ-UHFFFAOYSA-N 0 0 287.432 3.374 20 10 CGCDRN CC(C)OC(=O)[C@@H](NCc1cc(Cl)ccc1O)C(C)C ZINC000824846957 633300182 /nfs/dbraw/zinc/30/01/82/633300182.db2.gz WBXAXAOOEPUGPD-AWEZNQCLSA-N 0 0 299.798 3.111 20 10 CGCDRN CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000825005584 633316781 /nfs/dbraw/zinc/31/67/81/633316781.db2.gz PPOMJCNXLJITKS-JTQLQIEISA-N 0 0 279.771 3.113 20 10 CGCDRN C[C@@H](NC(=O)N[C@@H]1CC12CCCC2)c1ccccc1O ZINC000868540543 633333898 /nfs/dbraw/zinc/33/38/98/633333898.db2.gz JLVKYOJZSLORLR-BXUZGUMPSA-N 0 0 274.364 3.085 20 10 CGCDRN C[C@H](NC(=O)NC[C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000868565843 633336555 /nfs/dbraw/zinc/33/65/55/633336555.db2.gz DFEHFQSUFXOHGU-AGIUHOORSA-N 0 0 276.380 3.189 20 10 CGCDRN C/C(=C\C(=O)N1CC[C@@H](C)c2ccccc21)c1cnccn1 ZINC000825311251 633344204 /nfs/dbraw/zinc/34/42/04/633344204.db2.gz HRFYGMAIHMIAHD-MBFWDRTGSA-N 0 0 293.370 3.420 20 10 CGCDRN C[C@@H](NC(=O)NCCC1CC(F)(F)C1)c1ccccc1O ZINC000868690973 633352551 /nfs/dbraw/zinc/35/25/51/633352551.db2.gz QWBPROGHSRCMAJ-SNVBAGLBSA-N 0 0 298.333 3.188 20 10 CGCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)CC(F)F ZINC000868734523 633356500 /nfs/dbraw/zinc/35/65/00/633356500.db2.gz VJXOCVRHHKEQFU-UWVGGRQHSA-N 0 0 286.322 3.044 20 10 CGCDRN CC[C@@H](C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868765801 633359901 /nfs/dbraw/zinc/35/99/01/633359901.db2.gz JIAXUSQZSJHMME-NEPJUHHUSA-N 0 0 264.369 3.189 20 10 CGCDRN CCSC1(CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868783158 633362497 /nfs/dbraw/zinc/36/24/97/633362497.db2.gz FEDIFWFJHURWOR-LLVKDONJSA-N 0 0 294.420 3.038 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cnc(C)n1C ZINC000825944141 633390735 /nfs/dbraw/zinc/39/07/35/633390735.db2.gz RBWZYDDYRCWBCU-UHFFFAOYSA-N 0 0 285.391 3.080 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000827177990 633468421 /nfs/dbraw/zinc/46/84/21/633468421.db2.gz FBRXYMQJZVRUHI-LSDHHAIUSA-N 0 0 289.762 3.314 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC1CC(F)(F)C1 ZINC000827378785 633487016 /nfs/dbraw/zinc/48/70/16/633487016.db2.gz XESRZDISYNCGFL-UHFFFAOYSA-N 0 0 267.319 3.493 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000827488446 633494055 /nfs/dbraw/zinc/49/40/55/633494055.db2.gz HHIWTIATDMXIPE-IAZYJMLFSA-N 0 0 255.720 3.073 20 10 CGCDRN CC(C)c1nnc(NCCCSc2nccs2)o1 ZINC000827624297 633504769 /nfs/dbraw/zinc/50/47/69/633504769.db2.gz YUZPAVBBMVKJJT-UHFFFAOYSA-N 0 0 284.410 3.244 20 10 CGCDRN CC1(C)OCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000827704463 633511411 /nfs/dbraw/zinc/51/14/11/633511411.db2.gz CLORWGVNCMBRJR-JTQLQIEISA-N 0 0 287.762 3.089 20 10 CGCDRN Cc1nnc(CN(C)Cc2cc(Cl)c(C)cc2O)s1 ZINC000827804913 633519058 /nfs/dbraw/zinc/51/90/58/633519058.db2.gz CIFHXJRDAQWDOV-UHFFFAOYSA-N 0 0 297.811 3.146 20 10 CGCDRN Cc1cc(O)c(C[N@H+](C)CC2=CCSC2)c(Cl)c1 ZINC000827812124 633519888 /nfs/dbraw/zinc/51/98/88/633519888.db2.gz CVAXSMSYZOOASL-UHFFFAOYSA-N 0 0 283.824 3.459 20 10 CGCDRN CCN(Cc1c(O)cccc1OC)c1cccc(O)c1 ZINC000827907796 633533615 /nfs/dbraw/zinc/53/36/15/633533615.db2.gz HFFHIFVWKYWDGF-UHFFFAOYSA-N 0 0 273.332 3.133 20 10 CGCDRN C[C@@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC000827936739 633536387 /nfs/dbraw/zinc/53/63/87/633536387.db2.gz CAIBAFYORYQRLH-JHJVBQTASA-N 0 0 261.365 3.396 20 10 CGCDRN CO[C@H]1CCC[C@@H](CC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827946309 633538143 /nfs/dbraw/zinc/53/81/43/633538143.db2.gz DFPABZOLRPJACO-MCIONIFRSA-N 0 0 291.391 3.165 20 10 CGCDRN Cc1csc([C@@H](C)C(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827946493 633538243 /nfs/dbraw/zinc/53/82/43/633538243.db2.gz JWXDWFZWJYWDHB-WDEREUQCSA-N 0 0 290.388 3.138 20 10 CGCDRN CC[C@@H](CC(F)F)C(=O)N[C@H](C)c1ccccc1O ZINC000827952003 633539174 /nfs/dbraw/zinc/53/91/74/633539174.db2.gz CHWGWSYXJFNBGF-ZJUUUORDSA-N 0 0 271.307 3.251 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000827958161 633540116 /nfs/dbraw/zinc/54/01/16/633540116.db2.gz ZCNJTFAVVMECBH-XYPHTWIQSA-N 0 0 286.419 3.113 20 10 CGCDRN CCO[C@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCCC1 ZINC000827956909 633540360 /nfs/dbraw/zinc/54/03/60/633540360.db2.gz QGMWXFQYBVYHLP-LRDDRELGSA-N 0 0 291.391 3.165 20 10 CGCDRN CCO[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCCC1 ZINC000827956906 633540580 /nfs/dbraw/zinc/54/05/80/633540580.db2.gz QGMWXFQYBVYHLP-BLLLJJGKSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1ccccc1O ZINC000827960766 633541492 /nfs/dbraw/zinc/54/14/92/633541492.db2.gz WTPAAWIVARHEGN-RYUDHWBXSA-N 0 0 297.354 3.207 20 10 CGCDRN C[C@H](NC(=O)C[C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000827964174 633542133 /nfs/dbraw/zinc/54/21/33/633542133.db2.gz GWAKYDJSOVKBNQ-QWRGUYRKSA-N 0 0 283.318 3.395 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964038 633542178 /nfs/dbraw/zinc/54/21/78/633542178.db2.gz GIVDTWULZFNDKS-OUCADQQQSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1O ZINC000827972848 633542987 /nfs/dbraw/zinc/54/29/87/633542987.db2.gz AUVICMGVLAPAIW-MNOVXSKESA-N 0 0 275.373 3.435 20 10 CGCDRN C[C@@H](c1ccccc1)[C@@H](O)CN(C)c1ccc2c(c1)OCO2 ZINC000828498906 633620678 /nfs/dbraw/zinc/62/06/78/633620678.db2.gz HXXUOWDOMQBXDU-BBRMVZONSA-N 0 0 299.370 3.016 20 10 CGCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2)c1ccccc1O ZINC000870988405 633673461 /nfs/dbraw/zinc/67/34/61/633673461.db2.gz ORRZSAJSYREVGL-GFCCVEGCSA-N 0 0 296.370 3.241 20 10 CGCDRN CC[C@@H]1CCC[C@]1(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000881428655 636108541 /nfs/dbraw/zinc/10/85/41/636108541.db2.gz ITPIRQWNULMESO-DYVFJYSZSA-N 0 0 273.376 3.451 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NCc2coc(C3CC3)n2)c1 ZINC000845973297 636126157 /nfs/dbraw/zinc/12/61/57/636126157.db2.gz XKXLOMUGZIEAOD-SNVBAGLBSA-N 0 0 288.347 3.117 20 10 CGCDRN COC(=O)c1cnc(SCC2(C)CCC2)s1 ZINC000829677948 633764540 /nfs/dbraw/zinc/76/45/40/633764540.db2.gz SKGXNVGWOIFJFF-UHFFFAOYSA-N 0 0 257.380 3.212 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)C(F)(F)CC ZINC000830140904 633831405 /nfs/dbraw/zinc/83/14/05/633831405.db2.gz KHSXZYGKHSTIHL-UHFFFAOYSA-N 0 0 271.307 3.176 20 10 CGCDRN CCCC[C@@](C)(F)C(=O)N(C)Cc1ccccc1O ZINC000830141084 633831547 /nfs/dbraw/zinc/83/15/47/633831547.db2.gz MLXFPCUUTAWAPO-OAHLLOKOSA-N 0 0 267.344 3.269 20 10 CGCDRN CC(C)Nc1ccccc1NCc1nc(C2CC2)no1 ZINC000871847512 633891627 /nfs/dbraw/zinc/89/16/27/633891627.db2.gz SBYUSYOFPKLQKI-UHFFFAOYSA-N 0 0 272.352 3.379 20 10 CGCDRN C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(O)c1F ZINC000872030656 633949318 /nfs/dbraw/zinc/94/93/18/633949318.db2.gz IWASMZPXPHXVCV-NSHDSACASA-N 0 0 287.334 3.317 20 10 CGCDRN C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846212153 636159377 /nfs/dbraw/zinc/15/93/77/636159377.db2.gz KWHVDUPEKFIUFX-SNVBAGLBSA-N 0 0 276.336 3.284 20 10 CGCDRN Cc1cncc(/C=C\C(=O)N2CCCCc3cccnc32)c1 ZINC000872293802 634104046 /nfs/dbraw/zinc/10/40/46/634104046.db2.gz LMOJUUFKYRGQLL-FPLPWBNLSA-N 0 0 293.370 3.168 20 10 CGCDRN Cc1cc(CC(=O)N2CC(C)C2)c(C)n1-c1ccccc1 ZINC000834518122 634175421 /nfs/dbraw/zinc/17/54/21/634175421.db2.gz GWVQHDXLUCBEKT-UHFFFAOYSA-N 0 0 282.387 3.115 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@@]2(CCc3ccccc32)C1 ZINC000834843972 634255047 /nfs/dbraw/zinc/25/50/47/634255047.db2.gz IZYDQJAVDPKCQH-KRWDZBQOSA-N 0 0 299.395 3.184 20 10 CGCDRN CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834894588 634272490 /nfs/dbraw/zinc/27/24/90/634272490.db2.gz LLYIEAGRPVGMNN-ZJUUUORDSA-N 0 0 295.333 3.299 20 10 CGCDRN CCc1nc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)co1 ZINC000834896513 634272913 /nfs/dbraw/zinc/27/29/13/634272913.db2.gz CRPHAWBYCKSRGB-JOYOIKCWSA-N 0 0 290.338 3.420 20 10 CGCDRN CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000834904074 634281179 /nfs/dbraw/zinc/28/11/79/634281179.db2.gz MQMVXYJZJMAMDX-UWVGGRQHSA-N 0 0 295.333 3.299 20 10 CGCDRN CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834905122 634281207 /nfs/dbraw/zinc/28/12/07/634281207.db2.gz FJONQTUAAJSCLZ-VHSKPIJISA-N 0 0 290.190 3.263 20 10 CGCDRN C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000834905930 634282253 /nfs/dbraw/zinc/28/22/53/634282253.db2.gz VJQHTASHMDJJAZ-GHMZBOCLSA-N 0 0 285.334 3.138 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000834906654 634282314 /nfs/dbraw/zinc/28/23/14/634282314.db2.gz RIYHFJZHJIWYJE-DVYJOKAKSA-N 0 0 267.319 3.367 20 10 CGCDRN CC(C)(C)Oc1cccc(C(=O)NCc2ccc(N)cc2)c1 ZINC000873300124 634324913 /nfs/dbraw/zinc/32/49/13/634324913.db2.gz ZFWGVGYPVMDFPF-UHFFFAOYSA-N 0 0 298.386 3.376 20 10 CGCDRN CN(C)c1ccc(/C=C/CNc2cnn(CC3CC3)c2)cc1 ZINC000835042788 634330577 /nfs/dbraw/zinc/33/05/77/634330577.db2.gz XWLWKTIYGAVODH-ONEGZZNKSA-N 0 0 296.418 3.484 20 10 CGCDRN Nc1ccc(CNC(=O)/C=C\C2CCCCC2)cc1 ZINC000837303463 634882594 /nfs/dbraw/zinc/88/25/94/634882594.db2.gz RBKATSNPIKGRKH-FLIBITNWSA-N 0 0 258.365 3.022 20 10 CGCDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000876723954 634886787 /nfs/dbraw/zinc/88/67/87/634886787.db2.gz JLGLTYJYIYZDAS-SNVBAGLBSA-N 0 0 279.286 3.253 20 10 CGCDRN CSCC[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876755604 634892314 /nfs/dbraw/zinc/89/23/14/634892314.db2.gz VLPAZQOUCFSHLD-SECBINFHSA-N 0 0 275.364 3.244 20 10 CGCDRN C[N@H+](CCc1cccs1)Cc1ccc(F)c(F)c1[O-] ZINC000876768463 634896281 /nfs/dbraw/zinc/89/62/81/634896281.db2.gz JAKMQRQWHFRDLO-UHFFFAOYSA-N 0 0 283.343 3.406 20 10 CGCDRN COc1ccc(NCc2ccc(C)cc2O)cc1OC ZINC000876819298 634905548 /nfs/dbraw/zinc/90/55/48/634905548.db2.gz FHKYMLTYUROJKO-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)C1CC(C(C)(C)C)C1 ZINC000837468267 634914451 /nfs/dbraw/zinc/91/44/51/634914451.db2.gz NHWJKUHROAJUPH-UHFFFAOYSA-N 0 0 275.392 3.423 20 10 CGCDRN Cc1ccc(NCc2c(C)cccc2O)cc1C(=O)N(C)C ZINC000876868597 634917831 /nfs/dbraw/zinc/91/78/31/634917831.db2.gz HGNUEBRTIUYEMG-UHFFFAOYSA-N 0 0 298.386 3.323 20 10 CGCDRN CCC(C)(C)OCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000837543087 634930230 /nfs/dbraw/zinc/93/02/30/634930230.db2.gz SROOLMIJUVWPMV-CYBMUJFWSA-N 0 0 292.423 3.135 20 10 CGCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCC[C@@H]1C ZINC000876931668 634931419 /nfs/dbraw/zinc/93/14/19/634931419.db2.gz RHLONCYIMIQWMX-NWDGAFQWSA-N 0 0 298.377 3.023 20 10 CGCDRN COc1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])ccc1C ZINC000876981754 634942230 /nfs/dbraw/zinc/94/22/30/634942230.db2.gz RZBORNQZPNYCMN-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN CC(C)c1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])on1 ZINC000877031720 634956032 /nfs/dbraw/zinc/95/60/32/634956032.db2.gz UHZBWWYPOGLLKZ-UHFFFAOYSA-N 0 0 282.290 3.072 20 10 CGCDRN CN(C(=O)C1(c2cccnc2)CCCC1)c1ccc(N)cc1 ZINC000877075008 634972380 /nfs/dbraw/zinc/97/23/80/634972380.db2.gz XWQQPCJIGAQADY-UHFFFAOYSA-N 0 0 295.386 3.139 20 10 CGCDRN Cc1cc(C)cc(OCCC(=O)N(C)c2ccc(N)cc2)c1 ZINC000877081314 634976739 /nfs/dbraw/zinc/97/67/39/634976739.db2.gz YBJMDNYREOLJSC-UHFFFAOYSA-N 0 0 298.386 3.318 20 10 CGCDRN COCCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCC1 ZINC000877086184 634980099 /nfs/dbraw/zinc/98/00/99/634980099.db2.gz NAPNPMWCKJRJEU-UHFFFAOYSA-N 0 0 299.361 3.357 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccc(F)cc1[O-] ZINC000840836227 635060931 /nfs/dbraw/zinc/06/09/31/635060931.db2.gz WCFGSVISOKFNNA-BXUZGUMPSA-N 0 0 269.360 3.245 20 10 CGCDRN [O-]c1c(C[NH+]2CCC3(CCOCC3)CC2)ccc(F)c1F ZINC000877507999 635066376 /nfs/dbraw/zinc/06/63/76/635066376.db2.gz PFYZKWGSBMSEDK-UHFFFAOYSA-N 0 0 297.345 3.063 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000840860551 635067262 /nfs/dbraw/zinc/06/72/62/635067262.db2.gz UPNKUWCPHDGWIA-GAFUQQFSSA-N 0 0 269.385 3.466 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNCc1noc2c1CCCC2 ZINC000840945555 635089989 /nfs/dbraw/zinc/08/99/89/635089989.db2.gz QBUABEWBHGHNHU-UHFFFAOYSA-N 0 0 299.418 3.218 20 10 CGCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CS1 ZINC000840958807 635094391 /nfs/dbraw/zinc/09/43/91/635094391.db2.gz OFOQJRWXSYHJOB-APPZFPTMSA-N 0 0 275.776 3.168 20 10 CGCDRN [O-]c1c(C[NH2+][C@H]2COCc3ccccc32)ccc(F)c1F ZINC000877592167 635105062 /nfs/dbraw/zinc/10/50/62/635105062.db2.gz FHMXNLHCAGHAHX-AWEZNQCLSA-N 0 0 291.297 3.032 20 10 CGCDRN CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841296823 635148918 /nfs/dbraw/zinc/14/89/18/635148918.db2.gz ZJGMSSFTNOHQDD-LLVKDONJSA-N 0 0 284.363 3.109 20 10 CGCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841299134 635149396 /nfs/dbraw/zinc/14/93/96/635149396.db2.gz GHIIHQNJOPDVIP-ZIAGYGMSSA-N 0 0 293.436 3.455 20 10 CGCDRN Cc1cccnc1[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841300549 635149778 /nfs/dbraw/zinc/14/97/78/635149778.db2.gz RWBRPRNYEOCUNR-HNNXBMFYSA-N 0 0 298.390 3.491 20 10 CGCDRN Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(N)cc2)o1 ZINC000841301068 635150973 /nfs/dbraw/zinc/15/09/73/635150973.db2.gz YTQFDDIUMLVDKX-NSHDSACASA-N 0 0 287.363 3.313 20 10 CGCDRN COc1cc(C[N@@H+]2Cc3cccc(O)c3C2)ccc1C ZINC000877702938 635153827 /nfs/dbraw/zinc/15/38/27/635153827.db2.gz KTESXJRBFLUMMY-UHFFFAOYSA-N 0 0 269.344 3.225 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000877778549 635200324 /nfs/dbraw/zinc/20/03/24/635200324.db2.gz PSJUPBXFVVMXOA-GFCCVEGCSA-N 0 0 295.745 3.006 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000877778464 635200960 /nfs/dbraw/zinc/20/09/60/635200960.db2.gz NKZHIABKKZLHRT-CQSZACIVSA-N 0 0 283.799 3.076 20 10 CGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877805758 635209154 /nfs/dbraw/zinc/20/91/54/635209154.db2.gz LAUXDVJTBJDARG-DUFXMDAXSA-N 0 0 299.773 3.232 20 10 CGCDRN CC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841709806 635217315 /nfs/dbraw/zinc/21/73/15/635217315.db2.gz MGDNOZDDNOCICV-HOCLYGCPSA-N 0 0 289.423 3.079 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841753279 635227410 /nfs/dbraw/zinc/22/74/10/635227410.db2.gz GBPZQILZIFDBIR-GRYCIOLGSA-N 0 0 283.799 3.369 20 10 CGCDRN Cc1nnc(CN[C@@H](C)c2ccc(Cl)cc2O)s1 ZINC000841753696 635227644 /nfs/dbraw/zinc/22/76/44/635227644.db2.gz NHOGPABUZJJAPP-ZETCQYMHSA-N 0 0 283.784 3.056 20 10 CGCDRN C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841752969 635227759 /nfs/dbraw/zinc/22/77/59/635227759.db2.gz RMSCLVRTWLIHFE-LLVKDONJSA-N 0 0 283.799 3.249 20 10 CGCDRN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755408 635228497 /nfs/dbraw/zinc/22/84/97/635228497.db2.gz PENOAKFDSMLSCQ-GXFFZTMASA-N 0 0 271.788 3.103 20 10 CGCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754866 635229162 /nfs/dbraw/zinc/22/91/62/635229162.db2.gz MWOWFAPDOWAZPS-GMXVVIOVSA-N 0 0 285.815 3.493 20 10 CGCDRN CCn1ncc(NCc2cc(Cl)cc(F)c2O)c1C ZINC000877831973 635233538 /nfs/dbraw/zinc/23/35/38/635233538.db2.gz DGHTUFXOERKSRA-UHFFFAOYSA-N 0 0 283.734 3.322 20 10 CGCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)CCC(=O)[O-])cc1F ZINC000841808017 635238044 /nfs/dbraw/zinc/23/80/44/635238044.db2.gz HHADLRWYXATLHB-GFCCVEGCSA-N 0 0 296.386 3.015 20 10 CGCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc(N(C)C)c(F)c1)N2 ZINC000877861228 635244108 /nfs/dbraw/zinc/24/41/08/635244108.db2.gz HPZHEKQWPJTASO-INIZCTEOSA-N 0 0 299.349 3.054 20 10 CGCDRN CCC(F)(F)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000878130054 635370189 /nfs/dbraw/zinc/37/01/89/635370189.db2.gz VWRZKFNLLUUOJW-UHFFFAOYSA-N 0 0 289.322 3.194 20 10 CGCDRN CCCCC(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842882794 635504298 /nfs/dbraw/zinc/50/42/98/635504298.db2.gz ZAGASCGESJHVJI-AWEZNQCLSA-N 0 0 291.391 3.255 20 10 CGCDRN C[C@H]([NH2+]CC1CCC(F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842927768 635514373 /nfs/dbraw/zinc/51/43/73/635514373.db2.gz GIEWNIHAPHHTBQ-UNXYVOJBSA-N 0 0 296.342 3.479 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000842928520 635514645 /nfs/dbraw/zinc/51/46/45/635514645.db2.gz JAJLRWCTOTYVIW-AUZPSNTRSA-N 0 0 289.375 3.018 20 10 CGCDRN CC[C@@H](NCc1cscn1)c1ccc(N(C)C)cc1 ZINC000127344577 635630691 /nfs/dbraw/zinc/63/06/91/635630691.db2.gz OVDDVCUWSFHHNN-OAHLLOKOSA-N 0 0 275.421 3.450 20 10 CGCDRN COc1ccc(N(Cc2snnc2C)C(C)C)cc1F ZINC000844307535 635865186 /nfs/dbraw/zinc/86/51/86/635865186.db2.gz QQTRPUWJLXFPLP-UHFFFAOYSA-N 0 0 295.383 3.409 20 10 CGCDRN COc1ccc(N(C)Cc2nc(C)c(C)s2)cc1 ZINC000844355303 635878405 /nfs/dbraw/zinc/87/84/05/635878405.db2.gz MTFDRTKHYHHSJG-UHFFFAOYSA-N 0 0 262.378 3.405 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000844394843 635889562 /nfs/dbraw/zinc/88/95/62/635889562.db2.gz BVLCEGQGJLMQKT-DLBZAZTESA-N 0 0 286.419 3.113 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000844921805 635983973 /nfs/dbraw/zinc/98/39/73/635983973.db2.gz UZIWUFORLOJYEN-FZMZJTMJSA-N 0 0 286.350 3.219 20 10 CGCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccccc1O ZINC000844939639 635988609 /nfs/dbraw/zinc/98/86/09/635988609.db2.gz PARCGFOAYYTETP-QWHCGFSZSA-N 0 0 276.380 3.016 20 10 CGCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000128674879 636055437 /nfs/dbraw/zinc/05/54/37/636055437.db2.gz QETSJYWBFURHGZ-CQSZACIVSA-N 0 0 289.423 3.003 20 10 CGCDRN C[C@H](Cn1cc(COc2ccc(N)cc2)nn1)C(C)(C)C ZINC000881327188 636100312 /nfs/dbraw/zinc/10/03/12/636100312.db2.gz XYTCZGCXJDPDGF-GFCCVEGCSA-N 0 0 288.395 3.122 20 10 CGCDRN COCc1ccnc(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846216935 636160087 /nfs/dbraw/zinc/16/00/87/636160087.db2.gz YGUZAEVQBOFKNQ-LLVKDONJSA-N 0 0 288.347 3.115 20 10 CGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473505 636187077 /nfs/dbraw/zinc/18/70/77/636187077.db2.gz MNJWTTVIKBRMIP-SWLSCSKDSA-N 0 0 281.783 3.344 20 10 CGCDRN CCC[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472407 636187179 /nfs/dbraw/zinc/18/71/79/636187179.db2.gz JWCQXNIAHSOONT-SNVBAGLBSA-N 0 0 269.772 3.488 20 10 CGCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473504 636187388 /nfs/dbraw/zinc/18/73/88/636187388.db2.gz MNJWTTVIKBRMIP-IUODEOHRSA-N 0 0 281.783 3.344 20 10 CGCDRN Cc1ccc([C@@H](C)C(=O)NCc2cc(Cl)ccc2O)o1 ZINC000846475340 636187912 /nfs/dbraw/zinc/18/79/12/636187912.db2.gz GFVQANMMPUUHMX-SNVBAGLBSA-N 0 0 293.750 3.367 20 10 CGCDRN CC/C(C)=C/C(=O)NCc1cc(Cl)ccc1O ZINC000846475733 636188182 /nfs/dbraw/zinc/18/81/82/636188182.db2.gz HBCJRXRFMATTGQ-RMKNXTFCSA-N 0 0 253.729 3.018 20 10 CGCDRN CC(C)c1ocnc1C(=O)NCc1cc(Cl)ccc1O ZINC000846477516 636188657 /nfs/dbraw/zinc/18/86/57/636188657.db2.gz UPOADKPTFIREEC-UHFFFAOYSA-N 0 0 294.738 3.087 20 10 CGCDRN Cc1ncnc(NCc2ccc(N3CC=CC3)cc2)c1C ZINC000882008256 636231305 /nfs/dbraw/zinc/23/13/05/636231305.db2.gz RXDQWDNWJFJWLG-UHFFFAOYSA-N 0 0 280.375 3.082 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)nc2)c(OC)c1 ZINC000846835598 636255159 /nfs/dbraw/zinc/25/51/59/636255159.db2.gz XSWLBVCOJLZRMU-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN Cc1c(C)c(N(C)Cc2ccccc2O)nnc1Cl ZINC000882138152 636267582 /nfs/dbraw/zinc/26/75/82/636267582.db2.gz CULYVCGSAWRXNU-UHFFFAOYSA-N 0 0 277.755 3.089 20 10 CGCDRN Cc1cc(CN(C)c2ccc(-c3nccs3)cc2)nn1C ZINC000846997324 636305157 /nfs/dbraw/zinc/30/51/57/636305157.db2.gz WUCFCVQHCSYBDR-UHFFFAOYSA-N 0 0 298.415 3.488 20 10 CGCDRN Cc1nc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])sc1C ZINC000883046627 636519824 /nfs/dbraw/zinc/51/98/24/636519824.db2.gz QOUCGVFSTWAWON-UHFFFAOYSA-N 0 0 298.358 3.076 20 10 CGCDRN COc1cc(C)cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883074366 636530004 /nfs/dbraw/zinc/53/00/04/636530004.db2.gz VHDIQOOJNWRNII-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC2(CCCCC2)O1 ZINC000848392405 636566652 /nfs/dbraw/zinc/56/66/52/636566652.db2.gz PNXLOFMWHOHZFY-NSHDSACASA-N 0 0 295.404 3.018 20 10 CGCDRN COc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1C ZINC000883181999 636569835 /nfs/dbraw/zinc/56/98/35/636569835.db2.gz POGZVDQBOGFIGI-UHFFFAOYSA-N 0 0 293.313 3.277 20 10 CGCDRN CC[C@H]([NH2+]CCc1ccns1)c1ccc(F)cc1[O-] ZINC000883247547 636617384 /nfs/dbraw/zinc/61/73/84/636617384.db2.gz OJLUTFDULKPKAX-ZDUSSCGKSA-N 0 0 280.368 3.271 20 10 CGCDRN O=C(NCC[C@H]1CCCC1(F)F)NCc1ccccc1O ZINC000883250303 636620851 /nfs/dbraw/zinc/62/08/51/636620851.db2.gz NNVNASSQOONXMG-GFCCVEGCSA-N 0 0 298.333 3.017 20 10 CGCDRN C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cc(F)cc(F)c1[O-] ZINC000883369188 636710231 /nfs/dbraw/zinc/71/02/31/636710231.db2.gz LLVSZDJPHRAYPJ-HQQWDMGQSA-N 0 0 297.345 3.423 20 10 CGCDRN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294789 636750544 /nfs/dbraw/zinc/75/05/44/636750544.db2.gz PDXIAWPUPWFEMS-PBHICJAKSA-N 0 0 286.419 3.195 20 10 CGCDRN O=S(=O)(Nc1ccc(O)cc1Cl)C1=CCCCC1 ZINC000849308160 636803166 /nfs/dbraw/zinc/80/31/66/636803166.db2.gz HRKHGFJLWMQNIR-UHFFFAOYSA-N 0 0 287.768 3.245 20 10 CGCDRN CC[C@H](COC(=O)C1=CC(=O)CS1)CC(F)F ZINC000849727792 636856481 /nfs/dbraw/zinc/85/64/81/636856481.db2.gz HDXCEQITKPSRJX-ZETCQYMHSA-N 0 0 264.293 3.292 20 10 CGCDRN CCN1CC[C@H](Sc2ncc(C(C)(C)C)s2)C1=O ZINC000849886990 636899857 /nfs/dbraw/zinc/89/98/57/636899857.db2.gz FYMXJSVXHXOGCQ-VIFPVBQESA-N 0 0 284.450 3.154 20 10 CGCDRN Cn1c(Cl)cnc1CSc1ncc(Cl)s1 ZINC000849997639 636924329 /nfs/dbraw/zinc/92/43/29/636924329.db2.gz BNOAEWMYTSQXLD-UHFFFAOYSA-N 0 0 280.205 3.476 20 10 CGCDRN CC(C)O[C@]1(CSc2ncc(Cl)s2)CCOC1 ZINC000850001732 636926278 /nfs/dbraw/zinc/92/62/78/636926278.db2.gz LWHUBXWFZUSDRL-LLVKDONJSA-N 0 0 293.841 3.473 20 10 CGCDRN CCOc1ccc(O)c(CNc2ccc3c(c2)CCOC3)c1 ZINC000850382303 637040441 /nfs/dbraw/zinc/04/04/41/637040441.db2.gz QPLJAMVASPHLLF-UHFFFAOYSA-N 0 0 299.370 3.476 20 10 CGCDRN CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000850494580 637089483 /nfs/dbraw/zinc/08/94/83/637089483.db2.gz QMDGWOUYWQXGLL-RISCZKNCSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000850495185 637090947 /nfs/dbraw/zinc/09/09/47/637090947.db2.gz XVQXZLIWQMYCHD-UKRRQHHQSA-N 0 0 294.414 3.445 20 10 CGCDRN CC[C@@H](C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850505101 637093202 /nfs/dbraw/zinc/09/32/02/637093202.db2.gz MQXXNMREMGWMPX-MNOVXSKESA-N 0 0 266.341 3.387 20 10 CGCDRN CC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(Cl)c1[O-] ZINC000850545161 637115798 /nfs/dbraw/zinc/11/57/98/637115798.db2.gz MLGBXHHHZXMMBD-DOMZBBRYSA-N 0 0 297.826 3.495 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Cl)cc1[O-] ZINC000850546581 637116903 /nfs/dbraw/zinc/11/69/03/637116903.db2.gz MWRNYQKVERNWRZ-JQWIXIFHSA-N 0 0 283.799 3.105 20 10 CGCDRN COc1ccc(N(C[C@@H]2C[C@@]23CCOC3)C(C)C)cc1F ZINC000886060254 637393679 /nfs/dbraw/zinc/39/36/79/637393679.db2.gz YFDLNORAVSHQPI-SUMWQHHRSA-N 0 0 293.382 3.476 20 10 CGCDRN C[C@H]([NH2+]CCc1ccsc1)c1c([O-])cccc1F ZINC000886496769 637542542 /nfs/dbraw/zinc/54/25/42/637542542.db2.gz HBKLVTMIZHAXIZ-JTQLQIEISA-N 0 0 265.353 3.486 20 10 CGCDRN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532887 637557502 /nfs/dbraw/zinc/55/75/02/637557502.db2.gz QGWQRQIASYBCDX-MNOVXSKESA-N 0 0 269.360 3.386 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1c([O-])cccc1F ZINC000886536650 637561363 /nfs/dbraw/zinc/56/13/63/637561363.db2.gz MKXVZVBIIOWVLH-PEYYIBSZSA-N 0 0 281.371 3.123 20 10 CGCDRN CCc1noc(CC)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886539460 637563447 /nfs/dbraw/zinc/56/34/47/637563447.db2.gz ZWRVROZCDPTVFN-SNVBAGLBSA-N 0 0 292.354 3.495 20 10 CGCDRN C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1c([O-])cccc1F ZINC000886562086 637583506 /nfs/dbraw/zinc/58/35/06/637583506.db2.gz QHHJCERBSMTTNI-QWHCGFSZSA-N 0 0 295.398 3.371 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1c([O-])cccc1F ZINC000886591731 637596300 /nfs/dbraw/zinc/59/63/00/637596300.db2.gz AFFNJZACOWTNDD-WBIUFABUSA-N 0 0 279.355 3.140 20 10 CGCDRN COC1(CC[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886613725 637605126 /nfs/dbraw/zinc/60/51/26/637605126.db2.gz CQDKSFFZCWPJGO-LLVKDONJSA-N 0 0 267.344 3.141 20 10 CGCDRN CCn1ccnc1[C@H](C)N[C@@H](C)c1c(O)cccc1F ZINC000886620207 637613502 /nfs/dbraw/zinc/61/35/02/637613502.db2.gz FARFAGONYNEXBB-QWRGUYRKSA-N 0 0 277.343 3.160 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000886623425 637614278 /nfs/dbraw/zinc/61/42/78/637614278.db2.gz DCMSTRBBRXRESH-NEPJUHHUSA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc(C)n1 ZINC000886626423 637616403 /nfs/dbraw/zinc/61/64/03/637616403.db2.gz AYPQBZGTOGVPDE-LBPRGKRZSA-N 0 0 274.339 3.394 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1c([O-])cccc1F ZINC000886646963 637626884 /nfs/dbraw/zinc/62/68/84/637626884.db2.gz ZFIXMASHTXWHND-STQMWFEESA-N 0 0 293.382 3.389 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1c([O-])cccc1F ZINC000886651687 637630906 /nfs/dbraw/zinc/63/09/06/637630906.db2.gz OSVHBZPWCNEHHT-VXGBXAGGSA-N 0 0 279.355 3.284 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cc(F)cc(F)c1[O-] ZINC000886702019 637664485 /nfs/dbraw/zinc/66/44/85/637664485.db2.gz ZBJBJFYEIZTALZ-ZYHUDNBSSA-N 0 0 297.345 3.280 20 10 CGCDRN C[C@@H]([NH2+]CCOCCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000853238770 637789928 /nfs/dbraw/zinc/78/99/28/637789928.db2.gz QHRKAICBCTWJRE-MRVPVSSYSA-N 0 0 296.169 3.336 20 10 CGCDRN CN(Cc1cc(-c2ccco2)on1)Cc1ccccc1O ZINC000111236471 637805084 /nfs/dbraw/zinc/80/50/84/637805084.db2.gz DPCXZQTWVDWZSK-UHFFFAOYSA-N 0 0 284.315 3.272 20 10 CGCDRN C[C@H]([NH2+]CCOC1CCCC1)c1ccc(F)cc1[O-] ZINC000111635214 637931975 /nfs/dbraw/zinc/93/19/75/637931975.db2.gz KQFCCTWQXXGAPJ-NSHDSACASA-N 0 0 267.344 3.141 20 10 CGCDRN C[C@H](Cc1ccco1)c1nc(Cc2ccc(N)cc2)no1 ZINC000854134703 637993116 /nfs/dbraw/zinc/99/31/16/637993116.db2.gz SSTWBUDKEVCCBX-LLVKDONJSA-N 0 0 283.331 3.182 20 10 CGCDRN Cc1ccc(C(=O)N2c3ccccc3CC[C@H]2C)c(O)c1O ZINC000854322271 638043179 /nfs/dbraw/zinc/04/31/79/638043179.db2.gz CKZBTZNETAZSHL-GFCCVEGCSA-N 0 0 297.354 3.388 20 10 CGCDRN CCC(C)(C)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855369202 638176288 /nfs/dbraw/zinc/17/62/88/638176288.db2.gz YPEXBSWHQBQOPZ-DVBBHNHCSA-N 0 0 277.364 3.052 20 10 CGCDRN Cc1cc(C(=O)N[C@@]2(C)CC2(C)C)c(C)n1-c1ccccn1 ZINC000856135306 638305828 /nfs/dbraw/zinc/30/58/28/638305828.db2.gz SLNZWSCFDYPMQP-SFHVURJKSA-N 0 0 297.402 3.408 20 10 CGCDRN CC[C@H](CC(=O)NCc1cc(OC)ccc1O)C(C)C ZINC000114541839 638375541 /nfs/dbraw/zinc/37/55/41/638375541.db2.gz XVQYNWFAELGLJS-GFCCVEGCSA-N 0 0 279.380 3.089 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccnc(C)c2)cc1 ZINC000856726378 638376586 /nfs/dbraw/zinc/37/65/86/638376586.db2.gz FBPNLRIKPWCJQQ-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN CCN(Cc1ccnc(C)c1)c1ccc(OC)cc1 ZINC000856728520 638376848 /nfs/dbraw/zinc/37/68/48/638376848.db2.gz BHFYPQUQNRBUNF-UHFFFAOYSA-N 0 0 256.349 3.425 20 10 CGCDRN Cc1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000857547467 638516688 /nfs/dbraw/zinc/51/66/88/638516688.db2.gz FTLIWRNXVAMQON-UHFFFAOYSA-N 0 0 296.779 3.049 20 10 CGCDRN CN(C)c1ccc(CN[C@@H]2CCCc3scnc32)cc1 ZINC000858347282 638688974 /nfs/dbraw/zinc/68/89/74/638688974.db2.gz VHYJYCQAECUEAL-CQSZACIVSA-N 0 0 287.432 3.376 20 10 CGCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858444255 638720634 /nfs/dbraw/zinc/72/06/34/638720634.db2.gz TVHRNJSWRIHUFL-QNWHQSFQSA-N 0 0 290.363 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000858546792 638758387 /nfs/dbraw/zinc/75/83/87/638758387.db2.gz FMRDKCJYWKIISH-INWMFGNUSA-N 0 0 279.355 3.140 20 10 CGCDRN C[C@H](NC(=O)N[C@H]1CCS[C@H](C)C1)c1ccccc1O ZINC000927228315 638850398 /nfs/dbraw/zinc/85/03/98/638850398.db2.gz DWBCHABKEFISMR-WOPDTQHZSA-N 0 0 294.420 3.037 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@]12C[C@H]1CCC2 ZINC000927711076 638867598 /nfs/dbraw/zinc/86/75/98/638867598.db2.gz JXPODWAEIHYWCD-ABAIWWIYSA-N 0 0 294.782 3.035 20 10 CGCDRN O=C(CC1CCCCC1)NCc1c(O)cccc1F ZINC000928708365 638889255 /nfs/dbraw/zinc/88/92/55/638889255.db2.gz GJDZJLKLTHKCTR-UHFFFAOYSA-N 0 0 265.328 3.118 20 10 CGCDRN O=C(NCc1c(O)cccc1F)C1(Cc2ccccc2)CC1 ZINC000928706485 638889297 /nfs/dbraw/zinc/88/92/97/638889297.db2.gz UJNULUWHBKAZMS-UHFFFAOYSA-N 0 0 299.345 3.170 20 10 CGCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2O)c1 ZINC000860235038 639314185 /nfs/dbraw/zinc/31/41/85/639314185.db2.gz WJADUYDCBBYHEJ-JKSUJKDBSA-N 0 0 281.355 3.121 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CC=CCC2)c1 ZINC000934940503 639721362 /nfs/dbraw/zinc/72/13/62/639721362.db2.gz NTJBGBNFCAPEAU-CHWSQXEVSA-N 0 0 289.375 3.324 20 10 CGCDRN CCc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000042117186 639910462 /nfs/dbraw/zinc/91/04/62/639910462.db2.gz SOBWNIZXYXIWEU-UHFFFAOYSA-N 0 0 269.344 3.227 20 10 CGCDRN Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000045827151 639988840 /nfs/dbraw/zinc/98/88/40/639988840.db2.gz CNLXDCDUSDMGEP-UHFFFAOYSA-N 0 0 270.332 3.365 20 10 CGCDRN CCCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000047578069 640019937 /nfs/dbraw/zinc/01/99/37/640019937.db2.gz CZSTUPGFJCMDGF-UHFFFAOYSA-N 0 0 289.423 3.276 20 10 CGCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000048606733 640061770 /nfs/dbraw/zinc/06/17/70/640061770.db2.gz IELFCDJPDIHNDW-UHFFFAOYSA-N 0 0 261.346 3.034 20 10 CGCDRN Cc1cc(C(=O)NCc2ccoc2)c(C)n1-c1ccccn1 ZINC000193371860 640453301 /nfs/dbraw/zinc/45/33/01/640453301.db2.gz YTNRBWHYHBQIDB-UHFFFAOYSA-N 0 0 295.342 3.012 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)C ZINC000193609211 640479533 /nfs/dbraw/zinc/47/95/33/640479533.db2.gz YKVCVVAKCYPNBM-UHFFFAOYSA-N 0 0 291.439 3.330 20 10 CGCDRN Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000194107740 640513425 /nfs/dbraw/zinc/51/34/25/640513425.db2.gz UIORQVFBDJQJHK-UHFFFAOYSA-N 0 0 297.763 3.155 20 10 CGCDRN CCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000248033569 640740231 /nfs/dbraw/zinc/74/02/31/640740231.db2.gz UHILCIJSMNMNFO-UHFFFAOYSA-N 0 0 274.339 3.325 20 10 CGCDRN CSc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000097496522 640866796 /nfs/dbraw/zinc/86/67/96/640866796.db2.gz JQGOVGYUZFJHHD-UHFFFAOYSA-N 0 0 287.384 3.386 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000305775203 640903943 /nfs/dbraw/zinc/90/39/43/640903943.db2.gz JSLUCWZYFJAPTC-CQSZACIVSA-N 0 0 295.741 3.008 20 10 CGCDRN Cc1ccc(C(=O)NCc2cscc2Cl)c(O)c1O ZINC001155555660 805591247 /nfs/dbraw/zinc/59/12/47/805591247.db2.gz PTDDQTGGVOCCLJ-UHFFFAOYSA-N 0 0 297.763 3.051 20 10 CGCDRN COCOc1ccc2[nH]c(-c3ccc(N(C)C)cc3)nc2c1 ZINC001250468524 805636086 /nfs/dbraw/zinc/63/60/86/805636086.db2.gz ATWGLVJXXXKGSN-UHFFFAOYSA-N 0 0 297.358 3.279 20 10 CGCDRN COc1cc(-c2nc3cc4c(cc3[nH]2)CCC4)cc(O)c1O ZINC001250488987 805648979 /nfs/dbraw/zinc/64/89/79/805648979.db2.gz UGNONUMRWZZZDW-UHFFFAOYSA-N 0 0 296.326 3.138 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccc3cccnc3n2)cc1 ZINC001156924211 805752771 /nfs/dbraw/zinc/75/27/71/805752771.db2.gz RFRNXQAEDDWCAY-UHFFFAOYSA-N 0 0 292.386 3.332 20 10 CGCDRN O=C(Nc1nccc2ccccc21)C1=CC(=O)CS1 ZINC001157881342 805894882 /nfs/dbraw/zinc/89/48/82/805894882.db2.gz KECGZZZPSSUNJG-UHFFFAOYSA-N 0 0 270.313 3.254 20 10 CGCDRN CCCC[C@@H](O)CNc1ccccc1C(=O)c1ccncc1 ZINC001252104633 805998121 /nfs/dbraw/zinc/99/81/21/805998121.db2.gz IUIBOBZXOVXUQH-OAHLLOKOSA-N 0 0 298.386 3.276 20 10 CGCDRN Cc1nc(Cl)cc(NCc2ccc(O)c(O)c2)c1C ZINC001158995639 806029308 /nfs/dbraw/zinc/02/93/08/806029308.db2.gz KQWAORRSZZPVDX-UHFFFAOYSA-N 0 0 278.739 3.375 20 10 CGCDRN Cc1ccc(NCC(C)(C)O)c(C(=O)c2ccccc2)c1 ZINC001252362198 806042506 /nfs/dbraw/zinc/04/25/06/806042506.db2.gz FLNDGDOWJKQMJX-UHFFFAOYSA-N 0 0 283.371 3.409 20 10 CGCDRN Nc1ccc(Nc2ccc(OCC3CC3)nc2)cc1 ZINC001159372603 806089216 /nfs/dbraw/zinc/08/92/16/806089216.db2.gz UOGYFAWPIYQUGH-UHFFFAOYSA-N 0 0 255.321 3.196 20 10 CGCDRN O=[N+]([O-])c1ccnc(NCc2cc3ccccc3cc2O)c1 ZINC001160206272 806235595 /nfs/dbraw/zinc/23/55/95/806235595.db2.gz KYQCTKNEJNQGAD-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN C=C(OCC)c1ccc(NCc2c(C)cc(C)cc2O)nn1 ZINC001160810883 806305727 /nfs/dbraw/zinc/30/57/27/806305727.db2.gz VDVJBSFBAMDRJD-UHFFFAOYSA-N 0 0 299.374 3.418 20 10 CGCDRN Cc1cc(C)c(CNc2ncc(Cl)c(C)n2)c(O)c1 ZINC001160808385 806305881 /nfs/dbraw/zinc/30/58/81/806305881.db2.gz QXBKUNUDYYIHHF-UHFFFAOYSA-N 0 0 277.755 3.373 20 10 CGCDRN Nc1ccc(CNc2nc(Cl)ccc2F)cc1 ZINC001162784225 806665046 /nfs/dbraw/zinc/66/50/46/806665046.db2.gz HLHBPEWWVFVOQG-UHFFFAOYSA-N 0 0 251.692 3.068 20 10 CGCDRN Nc1ccc(CNc2cc(-c3cccs3)ncn2)cc1 ZINC001162787408 806665689 /nfs/dbraw/zinc/66/56/89/806665689.db2.gz KFOFFZXXIBKJSY-UHFFFAOYSA-N 0 0 282.372 3.399 20 10 CGCDRN c1ccn(-c2ccc(-c3nnc(C4CCOCC4)o3)cc2)c1 ZINC001255649267 806694642 /nfs/dbraw/zinc/69/46/42/806694642.db2.gz RLFGKESFYSXYEK-UHFFFAOYSA-N 0 0 295.342 3.421 20 10 CGCDRN COc1ccc(NCc2cccc(OC)c2O)cc1F ZINC000037290404 798864959 /nfs/dbraw/zinc/86/49/59/798864959.db2.gz ZLHSZIBZELESOK-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN COC(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000037307934 798865506 /nfs/dbraw/zinc/86/55/06/798865506.db2.gz NUOFPGSTWBNXND-UHFFFAOYSA-N 0 0 284.359 3.151 20 10 CGCDRN Nc1ccc(CNc2nccc3ccsc32)cc1 ZINC000310876855 799222848 /nfs/dbraw/zinc/22/28/48/799222848.db2.gz UUYGMORYMGRPGV-UHFFFAOYSA-N 0 0 255.346 3.491 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000381254599 799374837 /nfs/dbraw/zinc/37/48/37/799374837.db2.gz NLZYFHPPCHSVSK-NSHDSACASA-N 0 0 290.190 3.310 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC1(C)C ZINC000383958747 799410477 /nfs/dbraw/zinc/41/04/77/799410477.db2.gz OKQKBIYYIXHUOH-ZDUSSCGKSA-N 0 0 261.365 3.177 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1cnc(C)nc1 ZINC000384212376 799414274 /nfs/dbraw/zinc/41/42/74/799414274.db2.gz PGIRSSXEVPMUSN-UHFFFAOYSA-N 0 0 266.348 3.197 20 10 CGCDRN CC1(C)CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000390641448 799473176 /nfs/dbraw/zinc/47/31/76/799473176.db2.gz LCEFMSODBYGAEZ-LLVKDONJSA-N 0 0 284.197 3.433 20 10 CGCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000390797676 799475574 /nfs/dbraw/zinc/47/55/74/799475574.db2.gz ULWRJUNERUDSNT-KCJUWKMLSA-N 0 0 257.786 3.029 20 10 CGCDRN CCC(CC)(CC)CNC(=O)c1cccc(O)c1O ZINC000391354518 799478035 /nfs/dbraw/zinc/47/80/35/799478035.db2.gz LMBMNTRRCYJYKD-UHFFFAOYSA-N 0 0 265.353 3.044 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000401575530 799555906 /nfs/dbraw/zinc/55/59/06/799555906.db2.gz NSICBFGQCMJPPF-LLVKDONJSA-N 0 0 290.190 3.310 20 10 CGCDRN CC[C@@H]1CN(Cc2cc(Cl)ccc2O)[C@@H](C)CO1 ZINC000403863313 799572196 /nfs/dbraw/zinc/57/21/96/799572196.db2.gz ZXHZBJGGLWCBMZ-GXFFZTMASA-N 0 0 269.772 3.045 20 10 CGCDRN CCN(Cc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403202 799689499 /nfs/dbraw/zinc/68/94/99/799689499.db2.gz BUEXUOAUTVEEME-LUAWRHEFSA-N 0 0 297.354 3.160 20 10 CGCDRN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000690338453 799775627 /nfs/dbraw/zinc/77/56/27/799775627.db2.gz AATDFWIALGFYHH-LBPRGKRZSA-N 0 0 282.815 3.008 20 10 CGCDRN C[C@@H](NCc1ccc(Br)cc1O)C(F)(F)F ZINC000691477014 799785346 /nfs/dbraw/zinc/78/53/46/799785346.db2.gz QDHGJMOIMOKWDF-ZCFIWIBFSA-N 0 0 298.102 3.195 20 10 CGCDRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N)cc1 ZINC000692949804 799804279 /nfs/dbraw/zinc/80/42/79/799804279.db2.gz YLTMSPLUKAFVMS-FTNCPSPGSA-N 0 0 259.353 3.064 20 10 CGCDRN CO[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000692950794 799804914 /nfs/dbraw/zinc/80/49/14/799804914.db2.gz HVXNPXJBZABVEW-CQSZACIVSA-N 0 0 283.799 3.340 20 10 CGCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCCC1 ZINC000692985049 799805700 /nfs/dbraw/zinc/80/57/00/799805700.db2.gz ZMJFTFZDRMYXJS-MEDUHNTESA-N 0 0 281.371 3.387 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC1SCCS1 ZINC000693779547 799814655 /nfs/dbraw/zinc/81/46/55/799814655.db2.gz JEKYWSGKZTZBEA-UHFFFAOYSA-N 0 0 289.853 3.331 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(F)cc1[O-] ZINC000697752934 799848007 /nfs/dbraw/zinc/84/80/07/799848007.db2.gz NOUIPNSTIOEZRT-DTWKUNHWSA-N 0 0 261.287 3.473 20 10 CGCDRN C[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1cscn1 ZINC000697821809 799849793 /nfs/dbraw/zinc/84/97/93/799849793.db2.gz PDUAVZZJXUJTMI-DTWKUNHWSA-N 0 0 266.341 3.400 20 10 CGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000699242283 799858356 /nfs/dbraw/zinc/85/83/56/799858356.db2.gz BPHXQPHLLLGNGV-GHMZBOCLSA-N 0 0 279.767 3.090 20 10 CGCDRN C[C@@H](NCc1c(O)cccc1Cl)c1cscn1 ZINC000700419465 799871247 /nfs/dbraw/zinc/87/12/47/799871247.db2.gz NKFKOVFYKMBWAL-MRVPVSSYSA-N 0 0 268.769 3.353 20 10 CGCDRN CSC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000703232194 799920627 /nfs/dbraw/zinc/92/06/27/799920627.db2.gz BHGDSYLULVTOCQ-UHFFFAOYSA-N 0 0 273.348 3.046 20 10 CGCDRN C[C@H](NC(=O)NC/C=C\c1ccccc1)c1ccccc1O ZINC001255936833 806788203 /nfs/dbraw/zinc/78/82/03/806788203.db2.gz AFXBHXWLMRCHOY-YHAOYDPOSA-N 0 0 296.370 3.466 20 10 CGCDRN CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C12CCC2 ZINC000713482997 800111205 /nfs/dbraw/zinc/11/12/05/800111205.db2.gz XCZSZNSUOGLTCC-NZVBXONLSA-N 0 0 279.355 3.140 20 10 CGCDRN CC(C)(C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715714081 800144682 /nfs/dbraw/zinc/14/46/82/800144682.db2.gz VHOQAMQFUAIQMO-UHFFFAOYSA-N 0 0 276.149 3.182 20 10 CGCDRN CN(C[C@H]1CCC2(CCC2)CO1)c1ccc(N)cc1 ZINC000716338425 800168534 /nfs/dbraw/zinc/16/85/34/800168534.db2.gz YNMQWFFSIAVLQQ-OAHLLOKOSA-N 0 0 260.381 3.054 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCC=CCCC1 ZINC000719088511 800231388 /nfs/dbraw/zinc/23/13/88/800231388.db2.gz DTJUBRIRYNCTKD-AWEZNQCLSA-N 0 0 273.376 3.487 20 10 CGCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761823 800560029 /nfs/dbraw/zinc/56/00/29/800560029.db2.gz ZAUFRIDBJWUAOU-ZYHUDNBSSA-N 0 0 281.783 3.488 20 10 CGCDRN CCOc1nc(N[C@H](C)c2ccccc2O)ncc1Cl ZINC001163935675 806855370 /nfs/dbraw/zinc/85/53/70/806855370.db2.gz CSFHGLLBDJFCBC-SECBINFHSA-N 0 0 293.754 3.407 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2occ(C)c2C)c1 ZINC001117116109 802434532 /nfs/dbraw/zinc/43/45/32/802434532.db2.gz ZOGQKNHPHSUXPK-NSHDSACASA-N 0 0 289.331 3.102 20 10 CGCDRN CC[C@H]1CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC001118763878 802599275 /nfs/dbraw/zinc/59/92/75/802599275.db2.gz MWXRMYRKNOHNGV-UWVGGRQHSA-N 0 0 253.367 3.010 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@]1(F)Cl ZINC001181667665 810064850 /nfs/dbraw/zinc/06/48/50/810064850.db2.gz YAIAPRXWVJMNJV-ZFWWWQNUSA-N 0 0 298.789 3.026 20 10 CGCDRN Cc1ncccc1/C=C\C(=O)N1CCc2cccc(F)c21 ZINC001126987650 803123561 /nfs/dbraw/zinc/12/35/61/803123561.db2.gz WNLLZBSISBBEPL-FPLPWBNLSA-N 0 0 282.318 3.132 20 10 CGCDRN CC(C)[C@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc21 ZINC001128569636 803196803 /nfs/dbraw/zinc/19/68/03/803196803.db2.gz RNLGMKNPZVDAMZ-HLRDLLSLSA-N 0 0 295.386 3.220 20 10 CGCDRN C[C@H]1CCN(Cc2c(O)cccc2F)CC1(F)F ZINC001137832939 803778884 /nfs/dbraw/zinc/77/88/84/803778884.db2.gz MUSNZQJXPDWWOL-VIFPVBQESA-N 0 0 259.271 3.008 20 10 CGCDRN Oc1cccc2c1CN(Cc1ccc(F)c(F)c1F)CC2 ZINC001137940016 803804689 /nfs/dbraw/zinc/80/46/89/803804689.db2.gz AXTCMKKEAPVIAY-UHFFFAOYSA-N 0 0 293.288 3.368 20 10 CGCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001138123731 803863942 /nfs/dbraw/zinc/86/39/42/803863942.db2.gz JDNFBLAFHDVQEC-UHFFFAOYSA-N 0 0 267.319 3.245 20 10 CGCDRN Oc1c(F)cccc1CN1Cc2cnc(Cl)cc2C1 ZINC001138130839 803865807 /nfs/dbraw/zinc/86/58/07/803865807.db2.gz JCXAHIYZPXYNFI-UHFFFAOYSA-N 0 0 278.714 3.096 20 10 CGCDRN C[N@H+](Cc1c(F)ccc(F)c1[O-])C1CCCCC1 ZINC001139679192 804249449 /nfs/dbraw/zinc/24/94/49/804249449.db2.gz LZKDOXIGBDDXHY-UHFFFAOYSA-N 0 0 255.308 3.435 20 10 CGCDRN CC(C)[C@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688011 804255030 /nfs/dbraw/zinc/25/50/30/804255030.db2.gz VTEXPHHOKPQAJX-CYBMUJFWSA-N 0 0 255.308 3.291 20 10 CGCDRN Oc1ccc(F)cc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001140057855 804364257 /nfs/dbraw/zinc/36/42/57/804364257.db2.gz PXNUGJQCDZXEHE-GFCCVEGCSA-N 0 0 277.261 3.101 20 10 CGCDRN Cc1cnc2c(c1)CN(Cc1c(O)cccc1Cl)CC2 ZINC001140342455 804420269 /nfs/dbraw/zinc/42/02/69/804420269.db2.gz JTDRZAQMPZTEQF-UHFFFAOYSA-N 0 0 288.778 3.307 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001140462513 804441368 /nfs/dbraw/zinc/44/13/68/804441368.db2.gz HXYCWSQTDWZGPT-HNNXBMFYSA-N 0 0 281.783 3.191 20 10 CGCDRN CN(Cc1ccc(Cl)cc1O)CC(F)(F)F ZINC001140461657 804441585 /nfs/dbraw/zinc/44/15/85/804441585.db2.gz PHRXZONQEAJYHT-UHFFFAOYSA-N 0 0 253.651 3.040 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC[C@@]1(C)O ZINC001140461810 804441751 /nfs/dbraw/zinc/44/17/51/804441751.db2.gz ULKKUORVNYFEJL-IAQYHMDHSA-N 0 0 283.799 3.029 20 10 CGCDRN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140582151 804465937 /nfs/dbraw/zinc/46/59/37/804465937.db2.gz DONAJTJLAWNXKY-PHIMTYICSA-N 0 0 267.319 3.292 20 10 CGCDRN CC(C)[C@H]1CCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584216 804467734 /nfs/dbraw/zinc/46/77/34/804467734.db2.gz JHMFAJVZTCQVGO-CYBMUJFWSA-N 0 0 255.308 3.291 20 10 CGCDRN Cc1snnc1-c1nc(-c2cc(F)cc(C)c2F)no1 ZINC001212404863 815020767 /nfs/dbraw/zinc/02/07/67/815020767.db2.gz ABVIFKNUPISUKR-UHFFFAOYSA-N 0 0 294.286 3.150 20 10 CGCDRN CCCCOC1CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140925042 804551228 /nfs/dbraw/zinc/55/12/28/804551228.db2.gz YKSUXQWZMCMREE-UHFFFAOYSA-N 0 0 296.842 3.407 20 10 CGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)C)c(OC)c1 ZINC001141030995 804574273 /nfs/dbraw/zinc/57/42/73/804574273.db2.gz UMYQQCCPZCDTAJ-CQSZACIVSA-N 0 0 279.380 3.030 20 10 CGCDRN CC[N@H+](Cc1ccccc1O)Cc1cnccc1C ZINC001141036356 804574679 /nfs/dbraw/zinc/57/46/79/804574679.db2.gz XHGRKHQZUVPEON-UHFFFAOYSA-N 0 0 256.349 3.118 20 10 CGCDRN Oc1cccc(NC(=S)Nc2c(F)cccc2F)c1O ZINC001247081668 804661479 /nfs/dbraw/zinc/66/14/79/804661479.db2.gz QRABRIUAVMDBJA-UHFFFAOYSA-N 0 0 296.298 3.185 20 10 CGCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCC1(F)F ZINC001142508908 804727510 /nfs/dbraw/zinc/72/75/10/804727510.db2.gz PNGLQEIGYIGHER-MRVPVSSYSA-N 0 0 277.261 3.148 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C(C)(C)O)n2)cc1 ZINC001247412502 804727809 /nfs/dbraw/zinc/72/78/09/804727809.db2.gz BGVFFFQCLKMLHH-UHFFFAOYSA-N 0 0 297.358 3.372 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1C ZINC001142521041 804731642 /nfs/dbraw/zinc/73/16/42/804731642.db2.gz VFEPNVKNDXJPKT-NXEZZACHSA-N 0 0 255.308 3.291 20 10 CGCDRN COc1cccc2c1CN(Cc1cc(F)c(F)cc1O)C2 ZINC001142527545 804733480 /nfs/dbraw/zinc/73/34/80/804733480.db2.gz YPUIOTWKJRAMQE-UHFFFAOYSA-N 0 0 291.297 3.195 20 10 CGCDRN C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527069 804733814 /nfs/dbraw/zinc/73/38/14/804733814.db2.gz JQEQTTHCASIYOK-AOOOYVTPSA-N 0 0 255.308 3.148 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(-c2noc(C(C)(C)N)n2)cc1 ZINC001247492446 804750782 /nfs/dbraw/zinc/75/07/82/804750782.db2.gz VLKAXTRWCKFJDK-UHFFFAOYSA-N 0 0 296.374 3.338 20 10 CGCDRN CC(C)CC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001142711222 804760489 /nfs/dbraw/zinc/76/04/89/804760489.db2.gz LZLBZHIUSOMNCP-UHFFFAOYSA-N 0 0 292.766 3.256 20 10 CGCDRN Cc1csc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142730645 804762924 /nfs/dbraw/zinc/76/29/24/804762924.db2.gz CBRJXZGHWZJDON-UHFFFAOYSA-N 0 0 298.367 3.240 20 10 CGCDRN CC(C)OCC(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001143375045 804842463 /nfs/dbraw/zinc/84/24/63/804842463.db2.gz IYHKKOVAPABLEW-UHFFFAOYSA-N 0 0 298.386 3.227 20 10 CGCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1C[C@@H]1F ZINC001143446052 804853378 /nfs/dbraw/zinc/85/33/78/804853378.db2.gz AVFKNYFYOCTXFT-WBIUFABUSA-N 0 0 291.366 3.107 20 10 CGCDRN Cc1cccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)n1 ZINC001247982863 804863404 /nfs/dbraw/zinc/86/34/04/804863404.db2.gz TXWKQKZMTKYANH-SOFGYWHQSA-N 0 0 295.298 3.022 20 10 CGCDRN CC(=O)c1ccccc1-c1noc(Cc2ccc(N)cc2)n1 ZINC001248184277 804892067 /nfs/dbraw/zinc/89/20/67/804892067.db2.gz SEWIGZVTJHWNLZ-UHFFFAOYSA-N 0 0 293.326 3.112 20 10 CGCDRN Oc1ccc(Cc2nnc(CC3CCCCC3)o2)cc1O ZINC001257021947 807029920 /nfs/dbraw/zinc/02/99/20/807029920.db2.gz FYYJRLHHOOMJCK-UHFFFAOYSA-N 0 0 288.347 3.194 20 10 CGCDRN CCOC(=O)Cc1ccc(Nc2ccc(N)cc2)cc1 ZINC001212521600 815048641 /nfs/dbraw/zinc/04/86/41/815048641.db2.gz NSIBRYBBLRBZAY-UHFFFAOYSA-N 0 0 270.332 3.118 20 10 CGCDRN CSc1ccsc1C(=O)NCc1cc(C)ccc1O ZINC001147956410 805157052 /nfs/dbraw/zinc/15/70/52/805157052.db2.gz DDXSUQYJAWUTGD-UHFFFAOYSA-N 0 0 293.413 3.414 20 10 CGCDRN Nc1ccc(N(CCO)c2cc3cc(F)ccc3[nH]2)cc1 ZINC001249854566 805262648 /nfs/dbraw/zinc/26/26/48/805262648.db2.gz KNUPBMXSQMRFBW-UHFFFAOYSA-N 0 0 285.322 3.020 20 10 CGCDRN CC(C)(C)c1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001153885940 805419586 /nfs/dbraw/zinc/41/95/86/805419586.db2.gz TXIJHMFMNCHDKZ-UHFFFAOYSA-N 0 0 299.370 3.325 20 10 CGCDRN CC[C@@](C)(O)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256970402 807020190 /nfs/dbraw/zinc/02/01/90/807020190.db2.gz OWDIENIIYQNUNS-QGZVFWFLSA-N 0 0 297.358 3.231 20 10 CGCDRN COC(=O)c1cc(OCCC=C(C)C)ccc1N(C)C ZINC001166714816 807087517 /nfs/dbraw/zinc/08/75/17/807087517.db2.gz ZQDUIUMOZKSKBK-UHFFFAOYSA-N 0 0 277.364 3.274 20 10 CGCDRN CNc1ccccc1NCc1ccc(-c2ncon2)cc1 ZINC001167117308 807154537 /nfs/dbraw/zinc/15/45/37/807154537.db2.gz GSKXOHHPQMJJAA-UHFFFAOYSA-N 0 0 280.331 3.390 20 10 CGCDRN Cc1c(O)ccc(NS(=O)(=O)CC2CCCCC2)c1C ZINC001259619826 807683397 /nfs/dbraw/zinc/68/33/97/807683397.db2.gz KQYBEDMLXHMMIF-UHFFFAOYSA-N 0 0 297.420 3.331 20 10 CGCDRN COc1ccc2cc(NCc3ccc(O)c(O)c3)ccc2n1 ZINC001169993743 807734957 /nfs/dbraw/zinc/73/49/57/807734957.db2.gz ZZJVQOCRLMPHKG-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN COc1nccc2cc(NCc3ccc(O)c(O)c3)ccc21 ZINC001169993297 807735326 /nfs/dbraw/zinc/73/53/26/807735326.db2.gz RXXSWEYUMXJIKF-UHFFFAOYSA-N 0 0 296.326 3.267 20 10 CGCDRN COc1cc2c(c(OC)c1)N(C[Si](C)(C)C)CCC2 ZINC001171189863 808004293 /nfs/dbraw/zinc/00/42/93/808004293.db2.gz OKYXRIYJQBOCML-UHFFFAOYSA-N 0 0 279.456 3.334 20 10 CGCDRN CN(C)c1nccc(NCc2cc3ccccc3cc2O)n1 ZINC001171399397 808045025 /nfs/dbraw/zinc/04/50/25/808045025.db2.gz FFDRYBVYGQZWOH-UHFFFAOYSA-N 0 0 294.358 3.014 20 10 CGCDRN Cc1nccnc1NCc1cc2ccccc2cc1O ZINC001171405501 808047395 /nfs/dbraw/zinc/04/73/95/808047395.db2.gz XYVKOZZFCFZWQC-UHFFFAOYSA-N 0 0 265.316 3.256 20 10 CGCDRN Cc1cc(NCc2cc3ccccc3cc2O)c(=O)n(C)c1 ZINC001171407550 808049137 /nfs/dbraw/zinc/04/91/37/808049137.db2.gz OVQQIKACGOGKQR-UHFFFAOYSA-N 0 0 294.354 3.165 20 10 CGCDRN Nc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC001174069827 808851886 /nfs/dbraw/zinc/85/18/86/808851886.db2.gz RPKGUBHZUYNOPU-UHFFFAOYSA-N 0 0 281.359 3.248 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1ccc(N(C)C)cc1 ZINC001274329796 808873193 /nfs/dbraw/zinc/87/31/93/808873193.db2.gz MFRWIAKKQSPPCZ-OWBHPGMISA-N 0 0 295.386 3.214 20 10 CGCDRN Nc1ccc(N(c2cn[nH]c2)c2ccc(N)cc2)cc1 ZINC001174298167 808939706 /nfs/dbraw/zinc/93/97/06/808939706.db2.gz YRVKSKCKVNCXMZ-UHFFFAOYSA-N 0 0 265.320 3.044 20 10 CGCDRN CN(c1ccc(N)cc1)c1ccc(-c2cnn(C)c2)cc1 ZINC001174379228 808984181 /nfs/dbraw/zinc/98/41/81/808984181.db2.gz HZQVWWRVQNYQKY-UHFFFAOYSA-N 0 0 278.359 3.437 20 10 CGCDRN Cn1cc(-c2ccc(Nc3cccc(O)c3O)cc2)cn1 ZINC001174380770 808985824 /nfs/dbraw/zinc/98/58/24/808985824.db2.gz YJSUHYYSJWHGJW-UHFFFAOYSA-N 0 0 281.315 3.242 20 10 CGCDRN Nc1ccc(Cc2ccc(Nc3cncnc3)cc2)cc1 ZINC001174385806 808987648 /nfs/dbraw/zinc/98/76/48/808987648.db2.gz CRFODIOHCXHAMU-UHFFFAOYSA-N 0 0 276.343 3.393 20 10 CGCDRN CCn1cc(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001174573353 809089585 /nfs/dbraw/zinc/08/95/85/809089585.db2.gz IGPNRXACFCOKFZ-UHFFFAOYSA-N 0 0 292.342 3.273 20 10 CGCDRN Oc1cccc(Nc2cc(F)c(F)c(F)c2)c1O ZINC001174959892 809216425 /nfs/dbraw/zinc/21/64/25/809216425.db2.gz QKAPNRJQDLJTIA-UHFFFAOYSA-N 0 0 255.195 3.259 20 10 CGCDRN C=C=CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001298424696 809531920 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ZINC001185784905 810292073 /nfs/dbraw/zinc/29/20/73/810292073.db2.gz IWLCHEVSAMJZEM-OAHLLOKOSA-N 0 0 294.351 3.238 20 10 CGCDRN O=C(NCC1CCCCC1)N1CCc2cccc(O)c2C1 ZINC001186872709 810367177 /nfs/dbraw/zinc/36/71/77/810367177.db2.gz NSAUAFUYIFCQQI-UHFFFAOYSA-N 0 0 288.391 3.040 20 10 CGCDRN Cc1cncc(-c2nc(CSc3nccs3)no2)c1 ZINC001188661283 810500622 /nfs/dbraw/zinc/50/06/22/810500622.db2.gz YSSBITCVCXWUAQ-UHFFFAOYSA-N 0 0 290.373 3.189 20 10 CGCDRN COCOc1ccc(C)c(Nc2cccc(O)c2O)c1 ZINC001214366071 815401736 /nfs/dbraw/zinc/40/17/36/815401736.db2.gz JMNDCTPIERSNPW-UHFFFAOYSA-N 0 0 275.304 3.133 20 10 CGCDRN C[C@@H](NC(=O)Nc1cccc(O)c1O)c1ccc(F)cc1 ZINC001193143070 810859224 /nfs/dbraw/zinc/85/92/24/810859224.db2.gz PUXZUXOEUUSPJV-SECBINFHSA-N 0 0 290.294 3.120 20 10 CGCDRN COCOc1cccc(F)c1N(C)c1ccc(N)cc1 ZINC001214444684 815409514 /nfs/dbraw/zinc/40/95/14/815409514.db2.gz PLGWKNDIMZQYCI-UHFFFAOYSA-N 0 0 276.311 3.159 20 10 CGCDRN C[C@H]1CN(C(=S)NCc2ccco2)Cc2ccccc21 ZINC001200550667 811710302 /nfs/dbraw/zinc/71/03/02/811710302.db2.gz BRYNZEPWQIMFOO-LBPRGKRZSA-N 0 0 286.400 3.273 20 10 CGCDRN Oc1cccc(NC(=S)Nc2cc(F)cc(F)c2)c1O ZINC001200668500 811732511 /nfs/dbraw/zinc/73/25/11/811732511.db2.gz CUYBMPJCOZKCQO-UHFFFAOYSA-N 0 0 296.298 3.185 20 10 CGCDRN Cc1ccc(CNC(=S)Nc2cc(F)cc(F)c2)nc1 ZINC001200675170 811732611 /nfs/dbraw/zinc/73/26/11/811732611.db2.gz GTMFEFIWBVQUGQ-UHFFFAOYSA-N 0 0 293.342 3.155 20 10 CGCDRN Cc1cccc(C)c1NC(=O)NCc1cccc(O)c1O ZINC001202214772 812040801 /nfs/dbraw/zinc/04/08/01/812040801.db2.gz CRSPXBIHWXIIDP-UHFFFAOYSA-N 0 0 286.331 3.036 20 10 CGCDRN Cc1ccc(NC(=O)NCc2cccc(O)c2O)c(C)c1 ZINC001202752144 812165697 /nfs/dbraw/zinc/16/56/97/812165697.db2.gz BTLNMHLLDLAGFE-UHFFFAOYSA-N 0 0 286.331 3.036 20 10 CGCDRN C[N@H+](Cc1ccncn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203584571 812400345 /nfs/dbraw/zinc/40/03/45/812400345.db2.gz CRHFKXLUCRWGQJ-UHFFFAOYSA-N 0 0 298.173 3.121 20 10 CGCDRN COc1ccc(CN2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001203629019 812410772 /nfs/dbraw/zinc/41/07/72/812410772.db2.gz OERUXJZAVLHXMR-CYBMUJFWSA-N 0 0 290.388 3.194 20 10 CGCDRN C[C@]1(F)CCN(Cc2cc(Cl)ccc2O)C[C@H]1F ZINC001203650844 812415554 /nfs/dbraw/zinc/41/55/54/812415554.db2.gz FIQDQXRHQAQHRF-OLZOCXBDSA-N 0 0 275.726 3.318 20 10 CGCDRN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cc(Cl)ccc1O ZINC001203664691 812422190 /nfs/dbraw/zinc/42/21/90/812422190.db2.gz QAEFVOSLJBNABY-HZMBPMFUSA-N 0 0 299.798 3.065 20 10 CGCDRN COc1ccc(N(C)C[C@]2(C)CCCCO2)cc1F ZINC001205360297 812972275 /nfs/dbraw/zinc/97/22/75/812972275.db2.gz RTIYHVSWPSWRLF-HNNXBMFYSA-N 0 0 267.344 3.230 20 10 CGCDRN [NH3+][C@H]1CCCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001205931297 813138962 /nfs/dbraw/zinc/13/89/62/813138962.db2.gz IMKGLUWBDOZJAO-NSHDSACASA-N 0 0 289.206 3.012 20 10 CGCDRN CC(C)(C[NH2+]Cc1cc(F)c(F)cc1[O-])[C@H]1CCCCO1 ZINC001207043017 813471017 /nfs/dbraw/zinc/47/10/17/813471017.db2.gz HOHYLJNOVVHZLH-OAHLLOKOSA-N 0 0 299.361 3.355 20 10 CGCDRN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)C[C@@H](C)C1 ZINC001207621813 813619363 /nfs/dbraw/zinc/61/93/63/813619363.db2.gz JZMZKSYCGSYGEU-GDNZZTSVSA-N 0 0 251.345 3.446 20 10 CGCDRN CC(=O)c1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209728183 814122758 /nfs/dbraw/zinc/12/27/58/814122758.db2.gz LYRRRDSBCLAWQD-UHFFFAOYSA-N 0 0 268.316 3.437 20 10 CGCDRN Nc1cc(F)cc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209766015 814133376 /nfs/dbraw/zinc/13/33/76/814133376.db2.gz DVXZEJRJMODFMB-UHFFFAOYSA-N 0 0 277.274 3.095 20 10 CGCDRN c1ccc(OC2COC2)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209788176 814139302 /nfs/dbraw/zinc/13/93/02/814139302.db2.gz GQNYNUDQIJPCPQ-UHFFFAOYSA-N 0 0 298.342 3.012 20 10 CGCDRN Oc1cc(F)c(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209787975 814139385 /nfs/dbraw/zinc/13/93/85/814139385.db2.gz AHZGBRJMHAEWKC-UHFFFAOYSA-N 0 0 278.258 3.218 20 10 CGCDRN Cn1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)n1 ZINC001210354093 814418445 /nfs/dbraw/zinc/41/84/45/814418445.db2.gz VCPFJKGVCKXBMP-UHFFFAOYSA-N 0 0 279.347 3.054 20 10 CGCDRN C/C=C(\C)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001242759402 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/nfs/dbraw/zinc/26/19/75/816261975.db2.gz RNMIPDCKSPRDIE-UHFFFAOYSA-N 0 0 290.750 3.117 20 10 CGCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001231452030 818102851 /nfs/dbraw/zinc/10/28/51/818102851.db2.gz BAHQHWJOVFHDDB-WFASDCNBSA-N 0 0 289.375 3.245 20 10 CGCDRN C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1CO ZINC001231588837 818128858 /nfs/dbraw/zinc/12/88/58/818128858.db2.gz VYRVHUDTJLSZBY-GUYCJALGSA-N 0 0 285.387 3.138 20 10 CGCDRN C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588831 818130036 /nfs/dbraw/zinc/13/00/36/818130036.db2.gz VTKSBWZDDVYMFW-DGCLKSJQSA-N 0 0 259.324 3.478 20 10 CGCDRN C[C@]1(O)CCCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231588136 818130544 /nfs/dbraw/zinc/13/05/44/818130544.db2.gz MTAFTYYHHPTRKA-SFHVURJKSA-N 0 0 285.387 3.282 20 10 CGCDRN Cc1cc(O)c(CN2CCc3cccnc3C2)cc1Cl ZINC001231870043 818194340 /nfs/dbraw/zinc/19/43/40/818194340.db2.gz HAUPBRCTRJLQJI-UHFFFAOYSA-N 0 0 288.778 3.307 20 10 CGCDRN CC[N@H+](Cc1ccc2ccccc2c1O)C1CCN(C)CC1 ZINC001231880673 818199976 /nfs/dbraw/zinc/19/99/76/818199976.db2.gz BYCSEBNXVDYUPS-UHFFFAOYSA-N 0 0 298.430 3.462 20 10 CGCDRN Cc1nc2c(o1)CCN(Cc1ccc3ccccc3c1O)C2 ZINC001231883483 818201737 /nfs/dbraw/zinc/20/17/37/818201737.db2.gz LXENSAVIHWTEMC-UHFFFAOYSA-N 0 0 294.354 3.400 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@]1(C)O ZINC001231909897 818208936 /nfs/dbraw/zinc/20/89/36/818208936.db2.gz SVMQCKITFJOTBM-IAQYHMDHSA-N 0 0 283.799 3.029 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001233074830 818517958 /nfs/dbraw/zinc/51/79/58/818517958.db2.gz XRXXXUUNNLEADO-SNVBAGLBSA-N 0 0 295.251 3.240 20 10 CGCDRN COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233077148 818518719 /nfs/dbraw/zinc/51/87/19/818518719.db2.gz GYHWHNUMBIAVOC-LBPRGKRZSA-N 0 0 285.334 3.061 20 10 CGCDRN [O-]c1c(C[NH+]2CC3(C2)CCCCC3)ccc(F)c1F ZINC001233078012 818519130 /nfs/dbraw/zinc/51/91/30/818519130.db2.gz CMITYYGOPCJTER-UHFFFAOYSA-N 0 0 267.319 3.437 20 10 CGCDRN CC[N@H+](Cc1ccc(C)c(O)c1)Cc1ccccc1O ZINC001233234548 818549325 /nfs/dbraw/zinc/54/93/25/818549325.db2.gz XWALIHKTZUQVAH-UHFFFAOYSA-N 0 0 271.360 3.428 20 10 CGCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001233332491 818585012 /nfs/dbraw/zinc/58/50/12/818585012.db2.gz MRRVLFZSCLZFER-QWRGUYRKSA-N 0 0 267.319 3.292 20 10 CGCDRN CC1(C)CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334502 818585231 /nfs/dbraw/zinc/58/52/31/818585231.db2.gz JRVUQJMADDNZDD-UHFFFAOYSA-N 0 0 255.308 3.292 20 10 CGCDRN CN(Cc1cccc(C(F)(F)F)c1O)CC(F)F ZINC001233419866 818615590 /nfs/dbraw/zinc/61/55/90/818615590.db2.gz PLLAFYLQGDNNPK-UHFFFAOYSA-N 0 0 269.213 3.108 20 10 CGCDRN [O-]c1c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cccc1C(F)(F)F ZINC001233419314 818615622 /nfs/dbraw/zinc/61/56/22/818615622.db2.gz SYXRKOVWVVVBRF-RTCCRHLQSA-N 0 0 289.272 3.058 20 10 CGCDRN CCCC(=O)c1cc(O)c(O)cc1OC[C@@H]1CCC=CO1 ZINC001233498889 818629217 /nfs/dbraw/zinc/62/92/17/818629217.db2.gz WWAZCRMITCMRBY-NSHDSACASA-N 0 0 292.331 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CC(C)OC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC001327068907 935025997 /nfs/dbraw/zinc/02/59/97/935025997.db2.gz YQEINDBMNKJHOT-UHFFFAOYSA-N 0 0 290.388 3.198 20 10 CGCDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC001328310698 935129827 /nfs/dbraw/zinc/12/98/27/935129827.db2.gz XQJWOVFAYQHCAM-YUMQZZPRSA-N 0 0 293.310 3.257 20 10 CGCDRN O=C(CC(C1CC1)C1CC1)NCc1cc(Cl)ccc1O ZINC001328821553 935171712 /nfs/dbraw/zinc/17/17/12/935171712.db2.gz OFMVSVGWSDHYFL-UHFFFAOYSA-N 0 0 293.794 3.488 20 10 CGCDRN C[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc(F)cc(F)c1[O-] ZINC001329586253 935231319 /nfs/dbraw/zinc/23/13/19/935231319.db2.gz NPVRFNQDSOKJKA-WKNZSSQBSA-N 0 0 289.272 3.365 20 10 CGCDRN COc1cccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001330206527 935276662 /nfs/dbraw/zinc/27/66/62/935276662.db2.gz KASMABZVZLQUPC-UHFFFAOYSA-N 0 0 283.375 3.303 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)Oc2ccccc2)c1 ZINC001330227255 935278639 /nfs/dbraw/zinc/27/86/39/935278639.db2.gz QCKXHSHFILFLPU-UHFFFAOYSA-N 0 0 299.370 3.174 20 10 CGCDRN CC(C)n1cc(CSc2ncc(Cl)s2)nn1 ZINC001330284885 935283423 /nfs/dbraw/zinc/28/34/23/935283423.db2.gz TUDAEZQFNADDMN-UHFFFAOYSA-N 0 0 274.802 3.261 20 10 CGCDRN CCN(CC)c1ccc(CN2CC[C@]23CCOC3)cc1F ZINC001331544717 935390600 /nfs/dbraw/zinc/39/06/00/935390600.db2.gz HBKNVHDQPSUMQX-QGZVFWFLSA-N 0 0 292.398 3.037 20 10 CGCDRN CCc1cc(NCc2ccc(N3CCCC3)cc2)nn1C ZINC001331578278 935395902 /nfs/dbraw/zinc/39/59/02/935395902.db2.gz MBCBOJZBTWGIQU-UHFFFAOYSA-N 0 0 284.407 3.195 20 10 CGCDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333750031 936062615 /nfs/dbraw/zinc/06/26/15/936062615.db2.gz VKTILCJCKQAACA-RKDXNWHRSA-N 0 0 291.372 3.326 20 10 CGCDRN Nc1ccc(CNc2ccccc2O[C@H]2CCOC2)cc1 ZINC001334775462 936113821 /nfs/dbraw/zinc/11/38/21/936113821.db2.gz YMHAOXHHYAOXJH-HNNXBMFYSA-N 0 0 284.359 3.049 20 10 CGCDRN CCC1(CNC(=O)NCc2ccc(N)cc2)CCCC1 ZINC001335540414 936151838 /nfs/dbraw/zinc/15/18/38/936151838.db2.gz OOVSPWGFTICFQC-UHFFFAOYSA-N 0 0 275.396 3.038 20 10 CGCDRN CC[C@H](F)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001336879589 936224607 /nfs/dbraw/zinc/22/46/07/936224607.db2.gz QCQAGQURDOEVLO-INIZCTEOSA-N 0 0 292.398 3.383 20 10 CGCDRN CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc(N)cc1 ZINC001337017673 936232467 /nfs/dbraw/zinc/23/24/67/936232467.db2.gz BFKVQBFPYXTGTC-CJNGLKHVSA-N 0 0 289.423 3.379 20 10 CGCDRN Cc1cc(F)ccc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001474043298 937837487 /nfs/dbraw/zinc/83/74/87/937837487.db2.gz CLRSEXZMBWKGLI-UHFFFAOYSA-N 0 0 295.304 3.450 20 10 CGCDRN CCOc1cccc(NCc2cc(C)cc(OC)c2O)n1 ZINC001474628881 937871488 /nfs/dbraw/zinc/87/14/88/937871488.db2.gz PTCGHVXTJNHSQJ-UHFFFAOYSA-N 0 0 288.347 3.115 20 10 CGCDRN Cc1cc(C)cc(CNC(=O)NCc2ccccc2O)c1 ZINC001479022161 937915171 /nfs/dbraw/zinc/91/51/71/937915171.db2.gz CHROKLIHEQJNGF-UHFFFAOYSA-N 0 0 284.359 3.008 20 10 CGCDRN CC[C@H](CC(=O)NCc1cccc(O)c1O)C(C)(C)C ZINC001521852217 938034796 /nfs/dbraw/zinc/03/47/96/938034796.db2.gz SMHOXPYQOYTHJH-GFCCVEGCSA-N 0 0 279.380 3.176 20 10 CGCDRN CCN(C(=O)/C=C/c1cccnc1C)c1ncccc1C ZINC001524737543 938045310 /nfs/dbraw/zinc/04/53/10/938045310.db2.gz HQKACAHPFGVEGB-MDZDMXLPSA-N 0 0 281.359 3.160 20 10 CGCDRN Cc1ccc(N(CC(C)C)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC001529069243 938070717 /nfs/dbraw/zinc/07/07/17/938070717.db2.gz TTYMMMZGBWNPJA-JXMROGBWSA-N 0 0 297.402 3.431 20 10 CGCDRN Cc1cocc1C(=O)Nc1c2nonc2ccc1Cl ZINC001543805519 938141805 /nfs/dbraw/zinc/14/18/05/938141805.db2.gz FSWMWJUNWWZNHR-UHFFFAOYSA-N 0 0 277.667 3.030 20 10 CGCDRN O=C(Cc1ccc(Cl)s1)NCc1c(O)cccc1F ZINC001558455410 938215516 /nfs/dbraw/zinc/21/55/16/938215516.db2.gz SLZFGYYKJKOZLF-UHFFFAOYSA-N 0 0 299.754 3.105 20 10 CGCDRN Cc1c(Cl)cccc1C(=O)NCc1c(O)cccc1F ZINC001558454769 938215604 /nfs/dbraw/zinc/21/56/04/938215604.db2.gz LZDYXPNMVNXRNM-UHFFFAOYSA-N 0 0 293.725 3.423 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ccnc(C)n1 ZINC001559214260 938222509 /nfs/dbraw/zinc/22/25/09/938222509.db2.gz FRCJNKYCFXCHRP-ZDUSSCGKSA-N 0 0 284.407 3.203 20 10 CGCDRN CCN(Cc1cc(F)cc(F)c1O)c1cccc(O)c1 ZINC001560930900 938284720 /nfs/dbraw/zinc/28/47/20/938284720.db2.gz RSYHIKICWBNZOD-UHFFFAOYSA-N 0 0 279.286 3.403 20 10 CGCDRN COc1cccc(F)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001561027113 938290432 /nfs/dbraw/zinc/29/04/32/938290432.db2.gz WHSNEKIVPXVPBM-UHFFFAOYSA-N 0 0 295.741 3.483 20 10 CGCDRN Cc1ccc(CNC(=O)NCc2cc(C)ccc2O)cc1 ZINC001563484140 938303560 /nfs/dbraw/zinc/30/35/60/938303560.db2.gz PDTHXLOBJWBPKH-UHFFFAOYSA-N 0 0 284.359 3.008 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC001603106671 972180262 /nfs/dbraw/zinc/18/02/62/972180262.db2.gz BOHPPBSEJVXLMB-BLLLJJGKSA-N 0 0 291.391 3.201 20 10 CGCDRN Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)[O-])c2)c1 ZINC001594373093 958558098 /nfs/dbraw/zinc/55/80/98/958558098.db2.gz AYQVGNMMLMYGHV-GFCCVEGCSA-N 0 0 285.343 3.250 20 10 CGCDRN CC(C)(C(=O)NCc1ccc(N)cc1)c1cccc(F)c1 ZINC001575092466 962344866 /nfs/dbraw/zinc/34/48/66/962344866.db2.gz NPOICDHDLOWPBJ-UHFFFAOYSA-N 0 0 286.350 3.002 20 10 CGCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1CC2CCC1CC2 ZINC001583397656 962800829 /nfs/dbraw/zinc/80/08/29/962800829.db2.gz LANKFYFGGWWZPE-HHISKICNSA-N 0 0 279.405 3.398 20 10 CGCDRN C/C(=C/c1cccnc1)C(=O)N[C@H](C)c1ccccc1O ZINC001587446979 963194696 /nfs/dbraw/zinc/19/46/96/963194696.db2.gz FDZQWDVJBVZYOV-KXXVWKPMSA-N 0 0 282.343 3.068 20 10 CGCDRN Cc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC001587929109 963233907 /nfs/dbraw/zinc/23/39/07/963233907.db2.gz WYPNFWVRJRSASB-UHFFFAOYSA-N 0 0 267.328 3.165 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001589281111 963978144 /nfs/dbraw/zinc/97/81/44/963978144.db2.gz QWSMFRXPQOWGGQ-IUODEOHRSA-N 0 0 291.391 3.058 20 10 CGCDRN Cc1cc(O)c(C[NH2+]C2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC001605213520 972957621 /nfs/dbraw/zinc/95/76/21/972957621.db2.gz QLIFVINZHDKNGY-UHFFFAOYSA-N 0 0 297.782 3.087 20 10 CGCDRN CC(C)c1ccc(O)c(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001591974437 976589741 /nfs/dbraw/zinc/58/97/41/976589741.db2.gz XLSGFQKKINPOOL-QGZVFWFLSA-N 0 0 299.370 3.431 20 10 CGCDRN CC[C@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccccc1O ZINC001595304220 980438312 /nfs/dbraw/zinc/43/83/12/980438312.db2.gz BPUWFYBPHFAGSS-INIZCTEOSA-N 0 0 299.370 3.260 20 10 CGCDRN CC(C)C(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001593240242 994427440 /nfs/dbraw/zinc/42/74/40/994427440.db2.gz LNTOIDYGLDDVDU-NSHDSACASA-N 0 0 279.380 3.423 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)N1CCc2ccccc21 ZINC000064660481 345263723 /nfs/dbraw/zinc/26/37/23/345263723.db2.gz PUIKGPFXLUSYRG-SNVBAGLBSA-N 0 0 290.413 3.213 20 10 CGCDRN C[C@@H](Sc1nccs1)C(=O)NCC1CCCCC1 ZINC000064660487 345263759 /nfs/dbraw/zinc/26/37/59/345263759.db2.gz UHZRJQUPNLVHTJ-SNVBAGLBSA-N 0 0 284.450 3.320 20 10 CGCDRN O=[N+]([O-])c1ccc(NCc2c(O)ccc3c2CCCC3)nc1 ZINC000078463887 345609396 /nfs/dbraw/zinc/60/93/96/345609396.db2.gz QKZRBCLFKJTTFA-UHFFFAOYSA-N 0 0 299.330 3.186 20 10 CGCDRN C/C=C(\C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000080475250 345675783 /nfs/dbraw/zinc/67/57/83/345675783.db2.gz WPYIGZVRWYWFKU-AWNIVKPZSA-N 0 0 260.381 3.067 20 10 CGCDRN CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1F ZINC000089635684 345772094 /nfs/dbraw/zinc/77/20/94/345772094.db2.gz GCEUVMGPZXDFLW-UHFFFAOYSA-N 0 0 276.267 3.076 20 10 CGCDRN Cc1cccc2ncnc(N(C)Cc3ccccc3O)c12 ZINC000089635433 345772139 /nfs/dbraw/zinc/77/21/39/345772139.db2.gz AJTCQJTXRVFXBU-UHFFFAOYSA-N 0 0 279.343 3.280 20 10 CGCDRN CN(Cc1ccccc1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000089635581 345772187 /nfs/dbraw/zinc/77/21/87/345772187.db2.gz RPNDARIVLVYWQB-UHFFFAOYSA-N 0 0 276.267 3.076 20 10 CGCDRN C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273910200 296115530 /nfs/dbraw/zinc/11/55/30/296115530.db2.gz XLODMAGUNXLKAP-LLVKDONJSA-N 0 0 298.342 3.118 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273361928 296131148 /nfs/dbraw/zinc/13/11/48/296131148.db2.gz AORBTUBSZGLQLC-DTWKUNHWSA-N 0 0 291.222 3.300 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc(F)cc2)cn1 ZINC000493244458 244124898 /nfs/dbraw/zinc/12/48/98/244124898.db2.gz ZOPITMVENHQIEH-BJMVGYQFSA-N 0 0 270.307 3.205 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@H]3CC=CCC3)ccc21 ZINC000069950607 369774698 /nfs/dbraw/zinc/77/46/98/369774698.db2.gz BWGITSNEXXCDJF-HNNXBMFYSA-N 0 0 284.403 3.042 20 10 CGCDRN COc1ccc(N(Cc2ccnn2C)[C@H](C)C2CC2)cc1 ZINC000091072887 370070963 /nfs/dbraw/zinc/07/09/63/370070963.db2.gz ONQWVNATBVBLQS-CYBMUJFWSA-N 0 0 285.391 3.234 20 10 CGCDRN CCOCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287842694 371711701 /nfs/dbraw/zinc/71/17/01/371711701.db2.gz WHHLETZUKXNSKD-GFCCVEGCSA-N 0 0 257.761 3.123 20 10 CGCDRN CN(C)c1ccc(CN[C@H](C2CC2)C(F)(F)F)cc1 ZINC000288417247 371737615 /nfs/dbraw/zinc/73/76/15/371737615.db2.gz JLDYJMNOXBDRBE-CYBMUJFWSA-N 0 0 272.314 3.183 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000287746006 371700904 /nfs/dbraw/zinc/70/09/04/371700904.db2.gz ZABKQDWDMLYPDU-GWCFXTLKSA-N 0 0 269.385 3.325 20 10 CGCDRN CC[C@@H]([NH2+]CCCn1cccn1)c1cccc(Cl)c1[O-] ZINC000287748620 371700989 /nfs/dbraw/zinc/70/09/89/371700989.db2.gz QBDOVNDNABHQTO-CQSZACIVSA-N 0 0 293.798 3.373 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000294745500 372670055 /nfs/dbraw/zinc/67/00/55/372670055.db2.gz RBJIMLVPYSYPCG-HIFRSBDPSA-N 0 0 299.773 3.328 20 10 CGCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(OC)c1O ZINC000294799624 372672242 /nfs/dbraw/zinc/67/22/42/372672242.db2.gz DYMYDZBVHBGLAY-OCCSQVGLSA-N 0 0 291.391 3.233 20 10 CGCDRN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2O)C[C@@H]1C ZINC000294984187 372682818 /nfs/dbraw/zinc/68/28/18/372682818.db2.gz YMPSDGHPNZRHBK-HZSPNIEDSA-N 0 0 275.392 3.423 20 10 CGCDRN CCC[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000297447405 373272233 /nfs/dbraw/zinc/27/22/33/373272233.db2.gz WRWZYFPGJQDVKH-NXEZZACHSA-N 0 0 273.323 3.136 20 10 CGCDRN CC(C)Cc1ccc(CC(=O)NCc2ccc(N)cc2)cc1 ZINC000296872896 373251004 /nfs/dbraw/zinc/25/10/04/373251004.db2.gz DYJQPGXKQWFXQT-UHFFFAOYSA-N 0 0 296.414 3.326 20 10 CGCDRN CC1(C)CCC[C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC000297178987 373259159 /nfs/dbraw/zinc/25/91/59/373259159.db2.gz KXVASAPAYSXRFU-CYBMUJFWSA-N 0 0 260.381 3.101 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)C1CC1 ZINC000175830625 373525793 /nfs/dbraw/zinc/52/57/93/373525793.db2.gz NKRKEFJBGPCZNA-GFCCVEGCSA-N 0 0 261.365 3.177 20 10 CGCDRN CCC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CCC1 ZINC000176103499 373555475 /nfs/dbraw/zinc/55/54/75/373555475.db2.gz AJINJRIYQTWXFB-UHFFFAOYSA-N 0 0 299.418 3.195 20 10 CGCDRN CCCO[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)CC1 ZINC000180180304 373974822 /nfs/dbraw/zinc/97/48/22/373974822.db2.gz GTUDULJDGXPJQK-OAHLLOKOSA-N 0 0 293.407 3.182 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180632329 374030960 /nfs/dbraw/zinc/03/09/60/374030960.db2.gz ZAEWYGFWFOZWLE-IRIFAGDHSA-N 0 0 289.375 3.148 20 10 CGCDRN CCCCc1nnc(NCc2cc(C)ccc2O)o1 ZINC000181665970 374151615 /nfs/dbraw/zinc/15/16/15/374151615.db2.gz YDHMVWNTNFQNPZ-UHFFFAOYSA-N 0 0 261.325 3.038 20 10 CGCDRN C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182526975 374285656 /nfs/dbraw/zinc/28/56/56/374285656.db2.gz FVJPOODGDXYDBQ-LBPRGKRZSA-N 0 0 291.391 3.321 20 10 CGCDRN COc1ccc(N(CCCn2ccnc2)C(C)C)cc1F ZINC000182888128 374338945 /nfs/dbraw/zinc/33/89/45/374338945.db2.gz SQWRQWWJFMAFSK-UHFFFAOYSA-N 0 0 291.370 3.336 20 10 CGCDRN CC[C@H]1CC[C@H](C(=O)NCc2cccc(OC)c2O)CC1 ZINC000188551700 375231150 /nfs/dbraw/zinc/23/11/50/375231150.db2.gz OMZMNUXFNZDKOQ-BETUJISGSA-N 0 0 291.391 3.233 20 10 CGCDRN c1cc(N2CCCC2)ccc1OCC[C@H]1CCCO1 ZINC000189312728 375365331 /nfs/dbraw/zinc/36/53/31/375365331.db2.gz XPUFEONIJRRYBE-OAHLLOKOSA-N 0 0 261.365 3.235 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000190689098 375531002 /nfs/dbraw/zinc/53/10/02/375531002.db2.gz AXSHYHIYWPOEKY-SNVBAGLBSA-N 0 0 271.813 3.373 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cn3cccnc3n2)cc1 ZINC000191594823 375641735 /nfs/dbraw/zinc/64/17/35/375641735.db2.gz RHLQNBKMYVJNEI-UHFFFAOYSA-N 0 0 296.374 3.153 20 10 CGCDRN COCCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192592669 375767547 /nfs/dbraw/zinc/76/75/47/375767547.db2.gz XKYKOPTXZNAKRL-MRVPVSSYSA-N 0 0 278.179 3.386 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H](C)C1CC1 ZINC000518510146 375829885 /nfs/dbraw/zinc/82/98/85/375829885.db2.gz LISLRLMQSZRGIS-CYBMUJFWSA-N 0 0 299.418 3.427 20 10 CGCDRN CN(C(=O)/C=C\c1cn(C)c2ccccc12)c1cccnc1 ZINC000255085561 377731051 /nfs/dbraw/zinc/73/10/51/377731051.db2.gz USSYXUOWFDXHBN-KTKRTIGZSA-N 0 0 291.354 3.250 20 10 CGCDRN CCOc1ccc(N(CC)CCCc2nc(C)no2)cc1 ZINC000268638363 378084535 /nfs/dbraw/zinc/08/45/35/378084535.db2.gz GPXHEBKTXSDUBV-UHFFFAOYSA-N 0 0 289.379 3.236 20 10 CGCDRN CCCc1noc(CN(CC)c2ccc(OC)cc2)n1 ZINC000266716198 378025717 /nfs/dbraw/zinc/02/57/17/378025717.db2.gz GKKUEWMUFACXKN-UHFFFAOYSA-N 0 0 275.352 3.057 20 10 CGCDRN CC(C)(Cc1ccccc1)C(=O)NCc1ccccc1O ZINC000269140260 378192614 /nfs/dbraw/zinc/19/26/14/378192614.db2.gz LWBLZWWHGUXCIC-UHFFFAOYSA-N 0 0 283.371 3.277 20 10 CGCDRN CCN(C(=O)Cc1ccc(N)cc1)c1cccc(C)c1C ZINC000269224586 378198855 /nfs/dbraw/zinc/19/88/55/378198855.db2.gz LDBGONNOJHPLNO-UHFFFAOYSA-N 0 0 282.387 3.481 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)SC ZINC000270266082 378329074 /nfs/dbraw/zinc/32/90/74/378329074.db2.gz VLIIYUJYWNDABX-CYBMUJFWSA-N 0 0 294.464 3.243 20 10 CGCDRN Cn1cc(Cl)cc1C[N@H+](C)Cc1cccc(F)c1[O-] ZINC000272374812 378623627 /nfs/dbraw/zinc/62/36/27/378623627.db2.gz HAFYDNTYLUOQOD-UHFFFAOYSA-N 0 0 282.746 3.155 20 10 CGCDRN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c(O)c1C ZINC000273404457 378744376 /nfs/dbraw/zinc/74/43/76/378744376.db2.gz OAGJTHOSESPKBN-UAGQMJEPSA-N 0 0 288.435 3.286 20 10 CGCDRN C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273450639 378746416 /nfs/dbraw/zinc/74/64/16/378746416.db2.gz FWJUPPOMKADAMI-ZUZCIYMTSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@H]([NH2+]CC1CCSCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273609650 378755350 /nfs/dbraw/zinc/75/53/50/378755350.db2.gz VKUVXVDJULPGOS-JTQLQIEISA-N 0 0 296.392 3.094 20 10 CGCDRN Oc1ccc(Cl)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000375351098 379492624 /nfs/dbraw/zinc/49/26/24/379492624.db2.gz AGRZLGXDGWSWDW-GFCCVEGCSA-N 0 0 277.755 3.106 20 10 CGCDRN CC1=CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000281711729 379843277 /nfs/dbraw/zinc/84/32/77/379843277.db2.gz IUICGHCLLHDGPM-UHFFFAOYSA-N 0 0 299.418 3.148 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCS1 ZINC000282434420 379920234 /nfs/dbraw/zinc/92/02/34/379920234.db2.gz HRVFUZRDPMUKJH-HNNXBMFYSA-N 0 0 293.432 3.417 20 10 CGCDRN Oc1ccc2ccccc2c1CN1CCC[C@@H]1c1ncon1 ZINC000360156036 381461949 /nfs/dbraw/zinc/46/19/49/381461949.db2.gz BKMMDAVEPVJAOW-OAHLLOKOSA-N 0 0 295.342 3.266 20 10 CGCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)(C)C ZINC000185617626 262062481 /nfs/dbraw/zinc/06/24/81/262062481.db2.gz TXYNUMVQLMNYMW-QMTHXVAHSA-N 0 0 269.360 3.243 20 10 CGCDRN COc1ccc(N(CC[C@H]2CCOC2=O)C(C)C)cc1F ZINC000120383136 392400436 /nfs/dbraw/zinc/40/04/36/392400436.db2.gz ZFZKOMURVFAVLR-LBPRGKRZSA-N 0 0 295.354 3.002 20 10 CGCDRN COc1ccc(NCc2cccc(C)c2O)cc1OC ZINC000158040613 392552938 /nfs/dbraw/zinc/55/29/38/392552938.db2.gz BKGBYFCZNUCRKS-UHFFFAOYSA-N 0 0 273.332 3.330 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC=CCC1 ZINC000172485369 392619879 /nfs/dbraw/zinc/61/98/79/392619879.db2.gz SJMDQPWXWMSGMS-OAHLLOKOSA-N 0 0 288.391 3.423 20 10 CGCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173203174 392624146 /nfs/dbraw/zinc/62/41/46/392624146.db2.gz GERWFHVYNKNXQH-UHFFFAOYSA-N 0 0 296.370 3.100 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000174510487 392642402 /nfs/dbraw/zinc/64/24/02/392642402.db2.gz SLRPCHYNRVDCOY-UHFFFAOYSA-N 0 0 273.376 3.077 20 10 CGCDRN CCO[C@H](C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000194462745 392922873 /nfs/dbraw/zinc/92/28/73/392922873.db2.gz KYRAFZKUGKJDFY-QGZVFWFLSA-N 0 0 271.360 3.260 20 10 CGCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccccc2N(C)C)cn1 ZINC000492502965 393746112 /nfs/dbraw/zinc/74/61/12/393746112.db2.gz MMLXGHLYDALVHC-VAWYXSNFSA-N 0 0 295.386 3.132 20 10 CGCDRN Cc1ccc(F)cc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000272075806 292120692 /nfs/dbraw/zinc/12/06/92/292120692.db2.gz DQRYZOOIOQNXGI-GHXNOFRVSA-N 0 0 293.388 3.498 20 10 CGCDRN CCOc1ccc(N(CC)C[C@H](O)c2cccnc2)cc1 ZINC000295629835 397672521 /nfs/dbraw/zinc/67/25/21/397672521.db2.gz BXUCNJGZRWMQFO-KRWDZBQOSA-N 0 0 286.375 3.040 20 10 CGCDRN Nc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1 ZINC000019438700 170801145 /nfs/dbraw/zinc/80/11/45/170801145.db2.gz VEOPXBJNLKFKPM-UHFFFAOYSA-N 0 0 283.356 3.060 20 10 CGCDRN CN(C)c1ccc(CNCc2c(F)cccc2F)cc1 ZINC000020146005 171031788 /nfs/dbraw/zinc/03/17/88/171031788.db2.gz FDCGJELIHDVMTH-UHFFFAOYSA-N 0 0 276.330 3.321 20 10 CGCDRN FC(F)(F)c1ccc(Sc2nccs2)nn1 ZINC000301825093 227692789 /nfs/dbraw/zinc/69/27/89/227692789.db2.gz DMYJINBUJXGANU-UHFFFAOYSA-N 0 0 263.269 3.103 20 10 CGCDRN CC[C@H](C)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000180828813 260136888 /nfs/dbraw/zinc/13/68/88/260136888.db2.gz QSBAAQWLDFNLCS-QWHCGFSZSA-N 0 0 290.407 3.160 20 10 CGCDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000130849820 260399612 /nfs/dbraw/zinc/39/96/12/260399612.db2.gz FODXXGQQFWIHAT-CVEARBPZSA-N 0 0 274.408 3.142 20 10 CGCDRN COc1cccc(CNC(=O)CC2(C)CCCCC2)c1O ZINC000151718452 261054403 /nfs/dbraw/zinc/05/44/03/261054403.db2.gz DAKMAZSYWSNYCZ-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)N(C)C ZINC000164065462 261338869 /nfs/dbraw/zinc/33/88/69/261338869.db2.gz SCFJLOHDJNJRBN-QMMMGPOBSA-N 0 0 272.439 3.009 20 10 CGCDRN CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185463862 262056340 /nfs/dbraw/zinc/05/63/40/262056340.db2.gz PWSORLMGMZFCEV-GZMMTYOYSA-N 0 0 292.206 3.367 20 10 CGCDRN CCN(Cc1c(C)noc1C)c1ccc(OC)cc1 ZINC000299332438 263239875 /nfs/dbraw/zinc/23/98/75/263239875.db2.gz CNCOHXWNFSWNPW-UHFFFAOYSA-N 0 0 260.337 3.327 20 10 CGCDRN CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000296247236 287650059 /nfs/dbraw/zinc/65/00/59/287650059.db2.gz CUPQYFCMWLYQSC-FIXISWKDSA-N 0 0 296.367 3.012 20 10 CGCDRN CC[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc(Cl)c1[O-] ZINC000286943745 288036270 /nfs/dbraw/zinc/03/62/70/288036270.db2.gz MHQVNWDUNMHKEQ-ZDUSSCGKSA-N 0 0 284.831 3.427 20 10 CGCDRN C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(F)cc1[O-] ZINC000273347912 279492848 /nfs/dbraw/zinc/49/28/48/279492848.db2.gz BBGXNJALFCKFJP-LBPRGKRZSA-N 0 0 288.366 3.448 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273586039 289978982 /nfs/dbraw/zinc/97/89/82/289978982.db2.gz NTSWKAOGNMAGCR-HZMBPMFUSA-N 0 0 296.392 3.237 20 10 CGCDRN Nc1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000169820221 327743835 /nfs/dbraw/zinc/74/38/35/327743835.db2.gz VXUZHFNGDYNXTB-UHFFFAOYSA-N 0 0 280.371 3.007 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000286075568 328249106 /nfs/dbraw/zinc/24/91/06/328249106.db2.gz LGDUKUIYMSEAAE-QKCSRTOESA-N 0 0 267.344 3.140 20 10 CGCDRN CC(C)[C@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC000294004516 328546479 /nfs/dbraw/zinc/54/64/79/328546479.db2.gz SENXAPGFTOAQIA-IQIBNGDESA-N 0 0 289.375 3.004 20 10 CGCDRN CCC[C@]1([NH2+]Cc2cccc(Cl)c2[O-])CCOC1 ZINC000289752729 327594366 /nfs/dbraw/zinc/59/43/66/327594366.db2.gz QQXXPDBJONAYSY-AWEZNQCLSA-N 0 0 269.772 3.094 20 10 CGCDRN COc1cccc(CNc2ncnc3cccc(C)c32)c1O ZINC000301525388 328828510 /nfs/dbraw/zinc/82/85/10/328828510.db2.gz ITKRNHGIQHSPIQ-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000378438689 329049890 /nfs/dbraw/zinc/04/98/90/329049890.db2.gz KLUAGQYSHSAFNW-UHFFFAOYSA-N 0 0 291.782 3.148 20 10 CGCDRN C[C@@H]([NH2+]CC1CCSCC1)c1ccc(F)cc1[O-] ZINC000168773333 329061475 /nfs/dbraw/zinc/06/14/75/329061475.db2.gz VEYVFJCLYXDGOW-SNVBAGLBSA-N 0 0 269.385 3.325 20 10 CGCDRN CN(Cc1cn(C)nc1-c1cccnc1)c1ccccc1 ZINC000180413082 329216349 /nfs/dbraw/zinc/21/63/49/329216349.db2.gz RVWJTDQQFZTTFX-UHFFFAOYSA-N 0 0 278.359 3.119 20 10 CGCDRN Cc1cccc(N(C)Cc2cn(C)nc2-c2cccnc2)c1 ZINC000184736496 329261096 /nfs/dbraw/zinc/26/10/96/329261096.db2.gz WYVJUGNRFMPAPP-UHFFFAOYSA-N 0 0 292.386 3.427 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccccc1 ZINC000187206444 329354992 /nfs/dbraw/zinc/35/49/92/329354992.db2.gz PXKFSFMXUVVCLB-AWEZNQCLSA-N 0 0 283.327 3.075 20 10 CGCDRN CCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCC1 ZINC000188905896 329373248 /nfs/dbraw/zinc/37/32/48/329373248.db2.gz MULBQGRUBNIKGA-UHFFFAOYSA-N 0 0 288.391 3.058 20 10 CGCDRN Oc1ccc(Br)cc1C[NH2+]CC1CCC1 ZINC000163760149 331082880 /nfs/dbraw/zinc/08/28/80/331082880.db2.gz BXRXKUVOPFXIPO-UHFFFAOYSA-N 0 0 270.170 3.044 20 10 CGCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc(F)cc1 ZINC000492415750 332396445 /nfs/dbraw/zinc/39/64/45/332396445.db2.gz LMRCWQXSLXBFFI-BAQGIRSFSA-N 0 0 270.307 3.205 20 10 CGCDRN COc1ccc2c(c1)CCN2C(=O)/C=C\c1cnccc1C ZINC000492418986 332396620 /nfs/dbraw/zinc/39/66/20/332396620.db2.gz RLMWHCVPRWNJFZ-UTCJRWHESA-N 0 0 294.354 3.001 20 10 CGCDRN CCOCC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290222460 332734107 /nfs/dbraw/zinc/73/41/07/332734107.db2.gz RTYVVKIJEDPDPV-UHFFFAOYSA-N 0 0 271.788 3.198 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1c(F)cccc1F ZINC000186239474 333157206 /nfs/dbraw/zinc/15/72/06/333157206.db2.gz OAUYCUNSBBIMLM-VOTSOKGWSA-N 0 0 294.326 3.406 20 10 CGCDRN COC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000296072504 334905036 /nfs/dbraw/zinc/90/50/36/334905036.db2.gz PWECLBFEDQFVQT-UHFFFAOYSA-N 0 0 269.772 3.094 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CC=CC1 ZINC000265782068 519654870 /nfs/dbraw/zinc/65/48/70/519654870.db2.gz LVJYHYDTGPHFAP-UHFFFAOYSA-N 0 0 286.419 3.456 20 10 CGCDRN CC(C)Oc1ccc(N(C)C[C@H](O)CC(F)(F)F)cc1 ZINC000277168929 519780252 /nfs/dbraw/zinc/78/02/52/519780252.db2.gz KPPFSVRJMVYVJU-GFCCVEGCSA-N 0 0 291.313 3.223 20 10 CGCDRN CC(C)Oc1ccc(N(C)Cc2cn(C(C)C)nn2)cc1 ZINC000289913867 519780303 /nfs/dbraw/zinc/78/03/03/519780303.db2.gz YCSDIBDIDVEARQ-UHFFFAOYSA-N 0 0 288.395 3.283 20 10 CGCDRN CCN(CC(C)(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292163451 520387516 /nfs/dbraw/zinc/38/75/16/520387516.db2.gz UEQHHOGVEXJWDX-VQHVLOKHSA-N 0 0 277.364 3.006 20 10 CGCDRN CCC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000263727277 521080333 /nfs/dbraw/zinc/08/03/33/521080333.db2.gz FJMNSZQZDGVQBW-UHFFFAOYSA-N 0 0 260.362 3.158 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC=CCC1 ZINC000053661727 521317491 /nfs/dbraw/zinc/31/74/91/521317491.db2.gz QQJXDQNJCNAIAX-MRXNPFEDSA-N 0 0 286.419 3.457 20 10 CGCDRN CCN(Cc1ccccc1C)C(=O)Cc1ccc(N)cc1 ZINC000036195538 521378703 /nfs/dbraw/zinc/37/87/03/521378703.db2.gz ZUQMKQFGKYPFNU-UHFFFAOYSA-N 0 0 282.387 3.168 20 10 CGCDRN CCN(Cc1nc(C(C)C)no1)c1ccc(OC)cc1 ZINC000299384264 521447917 /nfs/dbraw/zinc/44/79/17/521447917.db2.gz OZBJUJBVUGNVNM-UHFFFAOYSA-N 0 0 275.352 3.228 20 10 CGCDRN CCOC1CC([N@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000290663290 521650981 /nfs/dbraw/zinc/65/09/81/521650981.db2.gz ZUIHTPLJNFRPIU-UHFFFAOYSA-N 0 0 269.772 3.045 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccs1 ZINC000268627177 521687541 /nfs/dbraw/zinc/68/75/41/521687541.db2.gz LOFJCGVZBZEBJU-UHFFFAOYSA-N 0 0 289.400 3.435 20 10 CGCDRN CCSCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282770465 521706007 /nfs/dbraw/zinc/70/60/07/521706007.db2.gz OWBYZRYJIAPRLY-SNVBAGLBSA-N 0 0 284.381 3.094 20 10 CGCDRN CCc1ccccc1CNC(=O)N(C)Cc1ccccc1O ZINC000077849126 521830799 /nfs/dbraw/zinc/83/07/99/521830799.db2.gz IQSAPAVHCKJGRM-UHFFFAOYSA-N 0 0 298.386 3.296 20 10 CGCDRN CC[C@H]1CCCC[C@H]1C(=O)NCc1cccc(OC)c1O ZINC000280042609 523052764 /nfs/dbraw/zinc/05/27/64/523052764.db2.gz VPLNHSLWYHKVHY-GXTWGEPZSA-N 0 0 291.391 3.233 20 10 CGCDRN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290568524 523205398 /nfs/dbraw/zinc/20/53/98/523205398.db2.gz SXRXXKKPTKULCM-JQWIXIFHSA-N 0 0 294.351 3.072 20 10 CGCDRN CCc1ccc(CNC(=O)NCc2ccccc2O)s1 ZINC000299536816 523936792 /nfs/dbraw/zinc/93/67/92/523936792.db2.gz UJMJPBAKCKBDFA-UHFFFAOYSA-N 0 0 290.388 3.016 20 10 CGCDRN C[C@H](CCNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000263767170 524185967 /nfs/dbraw/zinc/18/59/67/524185967.db2.gz SJAXKJFWNHQHEB-CQSZACIVSA-N 0 0 298.386 3.385 20 10 CGCDRN COc1ccc(N(C)Cc2noc(C(C)(C)C)n2)cc1F ZINC000121826060 524355813 /nfs/dbraw/zinc/35/58/13/524355813.db2.gz NESSLAKOLPDYCZ-UHFFFAOYSA-N 0 0 293.342 3.151 20 10 CGCDRN Cc1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C2CC2)cc1 ZINC000237639218 525965224 /nfs/dbraw/zinc/96/52/24/525965224.db2.gz CAYVTAKIDZKBEA-IBGZPJMESA-N 0 0 294.398 3.387 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289381564 526326075 /nfs/dbraw/zinc/32/60/75/526326075.db2.gz COXDYAYXPABMFU-OAHLLOKOSA-N 0 0 291.778 3.259 20 10 CGCDRN Nc1ccc(CCNC(=O)CCC2CCCCC2)cc1 ZINC000040675623 527479561 /nfs/dbraw/zinc/47/95/61/527479561.db2.gz RNFNDEBKMVWKTQ-UHFFFAOYSA-N 0 0 274.408 3.288 20 10 CGCDRN CN(C(=O)/C=C\c1cncs1)c1cccc2cccnc21 ZINC000493668273 535940354 /nfs/dbraw/zinc/94/03/54/535940354.db2.gz YYGYZODIZKHRHF-FPLPWBNLSA-N 0 0 295.367 3.368 20 10 CGCDRN 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Cc1cc(C[NH2+]Cc2c([O-])cccc2F)c(C)s1 ZINC000896641105 620042077 /nfs/dbraw/zinc/04/20/77/620042077.db2.gz PNEUFWJEJLMGDA-UHFFFAOYSA-N 0 0 265.353 3.499 20 10 CGCDRN CC(C)(/C=C/Cl)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000896748699 620055369 /nfs/dbraw/zinc/05/53/69/620055369.db2.gz XSIKTOYYJXARCX-AATRIKPKSA-N 0 0 261.699 3.291 20 10 CGCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CCC1 ZINC000897219333 620164312 /nfs/dbraw/zinc/16/43/12/620164312.db2.gz WVIMHMKTEHBLBU-MRVPVSSYSA-N 0 0 291.372 3.231 20 10 CGCDRN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743941 620344256 /nfs/dbraw/zinc/34/42/56/620344256.db2.gz DLWKSTNHGBJIAX-WDEREUQCSA-N 0 0 298.814 3.001 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnccn2)cc1 ZINC000192515423 620394392 /nfs/dbraw/zinc/39/43/92/620394392.db2.gz LFSPNMXJRJCTCM-UHFFFAOYSA-N 0 0 292.342 3.136 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841755084 620398821 /nfs/dbraw/zinc/39/88/21/620398821.db2.gz NHFYAXAGDPEZHM-WDMOLILDSA-N 0 0 283.799 3.247 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(Cl)cc1[O-] ZINC000841755290 620398955 /nfs/dbraw/zinc/39/89/55/620398955.db2.gz IXYZSNUEWRACHR-GVXVVHGQSA-N 0 0 283.799 3.247 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC2(CC2)C1 ZINC000897790601 620431733 /nfs/dbraw/zinc/43/17/33/620431733.db2.gz SOKFOVNABUZDII-AWEZNQCLSA-N 0 0 288.391 3.256 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cncs1 ZINC000897933525 620448540 /nfs/dbraw/zinc/44/85/40/620448540.db2.gz ZBGKSDOPECDWNV-QMMMGPOBSA-N 0 0 268.769 3.353 20 10 CGCDRN CSCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000898305509 620508840 /nfs/dbraw/zinc/50/88/40/620508840.db2.gz GTIQGHXDFMXMLD-UHFFFAOYSA-N 0 0 277.792 3.416 20 10 CGCDRN O=C(CSc1nccs1)c1ccc(F)cc1F ZINC000040677258 620543561 /nfs/dbraw/zinc/54/35/61/620543561.db2.gz VOXKEBLYOYEFSW-UHFFFAOYSA-N 0 0 271.313 3.396 20 10 CGCDRN COc1ccc(C(=O)CSc2nccs2)cc1 ZINC000041066872 620552246 /nfs/dbraw/zinc/55/22/46/620552246.db2.gz SKUWTSMUOKFAER-UHFFFAOYSA-N 0 0 265.359 3.127 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1c([O-])cccc1F ZINC000926944583 620553251 /nfs/dbraw/zinc/55/32/51/620553251.db2.gz HULUEMUTBKLOAK-HRDYMLBCSA-N 0 0 277.261 3.380 20 10 CGCDRN COC(=O)[C@H]1CCCC[C@H]1CSc1nccs1 ZINC000901479098 620891584 /nfs/dbraw/zinc/89/15/84/620891584.db2.gz ZUONYVIHHYAXTG-UWVGGRQHSA-N 0 0 271.407 3.215 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903316320 621686951 /nfs/dbraw/zinc/68/69/51/621686951.db2.gz DJGYRCUWBQKNLX-DTWKUNHWSA-N 0 0 289.206 3.054 20 10 CGCDRN CC[C@@H]([NH2+]C1CC(CCO)C1)c1cccc(Cl)c1[O-] ZINC000903333357 621689279 /nfs/dbraw/zinc/68/92/79/621689279.db2.gz PCEPTFANFCVPMV-QIMFLAQGSA-N 0 0 283.799 3.247 20 10 CGCDRN CC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000903393556 621718275 /nfs/dbraw/zinc/71/82/75/621718275.db2.gz PIPPBRPRORMIGR-JIMOISOXSA-N 0 0 269.772 3.121 20 10 CGCDRN CCCCN(O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000904182720 621882276 /nfs/dbraw/zinc/88/22/76/621882276.db2.gz NQKSJGQKJPMLNI-GFCCVEGCSA-N 0 0 279.384 3.015 20 10 CGCDRN C/C(=C/c1ccc2c(c1)CCN2C)c1ncccn1 ZINC000905077638 622032766 /nfs/dbraw/zinc/03/27/66/622032766.db2.gz ZMLGKZMMLCJEBI-BENRWUELSA-N 0 0 251.333 3.029 20 10 CGCDRN COc1ccc(CNC(=O)[C@@H]2CCC=CCCC2)c(O)c1 ZINC000907925513 622318117 /nfs/dbraw/zinc/31/81/17/622318117.db2.gz IAVNOVYCRBUMQY-CYBMUJFWSA-N 0 0 289.375 3.154 20 10 CGCDRN CCC1(C(=O)NCc2ccc(O)cc2O)CCCCC1 ZINC000910947779 622511792 /nfs/dbraw/zinc/51/17/92/622511792.db2.gz MSDJEXJNJWMEJG-UHFFFAOYSA-N 0 0 277.364 3.075 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC=CC12CCCCC2 ZINC000912472078 622661454 /nfs/dbraw/zinc/66/14/54/622661454.db2.gz IETQZQRLXMNBBH-UHFFFAOYSA-N 0 0 263.362 3.169 20 10 CGCDRN C[C@@H]1COCCN1c1ccc(NCc2ccccc2O)cc1 ZINC000151279208 622758434 /nfs/dbraw/zinc/75/84/34/622758434.db2.gz BNOCGUSCTJAYRY-CQSZACIVSA-N 0 0 298.386 3.229 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)c2ccoc2)cc1 ZINC000055091600 622810561 /nfs/dbraw/zinc/81/05/61/622810561.db2.gz IIYAIJDXXZDSDE-UHFFFAOYSA-N 0 0 272.348 3.056 20 10 CGCDRN CCCC[C@H](CC)CNC(=O)c1cccc(O)c1O ZINC000165715599 622867467 /nfs/dbraw/zinc/86/74/67/622867467.db2.gz VJLZFILCQJRZRV-NSHDSACASA-N 0 0 265.353 3.044 20 10 CGCDRN Nc1ccc(NC(=O)NCCCC2CCCC2)cc1 ZINC000225384610 622908869 /nfs/dbraw/zinc/90/88/69/622908869.db2.gz LZTRJKFUKQFCON-UHFFFAOYSA-N 0 0 261.369 3.361 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccsc2)c1 ZINC000157638525 622919596 /nfs/dbraw/zinc/91/95/96/622919596.db2.gz ORQWJJZXOHOYPQ-SECBINFHSA-N 0 0 292.360 3.345 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@@H](C)C1 ZINC000226205911 622953144 /nfs/dbraw/zinc/95/31/44/622953144.db2.gz GBJFZADWKANKPJ-UHIISALHSA-N 0 0 261.369 3.215 20 10 CGCDRN COc1ccc2c(c1)CCN2Cc1csc([N+](=O)[O-])c1 ZINC000058945067 622968911 /nfs/dbraw/zinc/96/89/11/622968911.db2.gz KJUSHCIZPQSCOS-UHFFFAOYSA-N 0 0 290.344 3.228 20 10 CGCDRN Nc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000169820223 623060251 /nfs/dbraw/zinc/06/02/51/623060251.db2.gz XTIVJFKXELTFEU-UHFFFAOYSA-N 0 0 266.344 3.329 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC1 ZINC000063680117 623346319 /nfs/dbraw/zinc/34/63/19/623346319.db2.gz BNWSQJSNCZQVIC-UHFFFAOYSA-N 0 0 260.362 3.002 20 10 CGCDRN CCn1cc(Cl)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC000913763383 623576595 /nfs/dbraw/zinc/57/65/95/623576595.db2.gz FFNFASYMSYHAIQ-JTQLQIEISA-N 0 0 292.766 3.358 20 10 CGCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H]1C ZINC000914165934 623683390 /nfs/dbraw/zinc/68/33/90/623683390.db2.gz RVNNRMIVCFYTNT-GFCCVEGCSA-N 0 0 296.370 3.141 20 10 CGCDRN O=C(/C=C\c1cccnc1)N1CCCc2cc(F)ccc21 ZINC000914743061 623854608 /nfs/dbraw/zinc/85/46/08/623854608.db2.gz QOOVNLKTDNITSN-YVMONPNESA-N 0 0 282.318 3.213 20 10 CGCDRN CCc1ccccc1NC(=S)NCc1ccc(F)cn1 ZINC000763167684 623866043 /nfs/dbraw/zinc/86/60/43/623866043.db2.gz UBMYQFIOWBLPQA-UHFFFAOYSA-N 0 0 289.379 3.270 20 10 CGCDRN COc1cccc(CN2CCc3cccc(C)c32)c1O ZINC000153386915 623868574 /nfs/dbraw/zinc/86/85/74/623868574.db2.gz HBRQCIBWBFNDIM-UHFFFAOYSA-N 0 0 269.344 3.272 20 10 CGCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCC1CC1 ZINC000154162145 624210632 /nfs/dbraw/zinc/21/06/32/624210632.db2.gz YSBYGQJIJZIYTD-UHFFFAOYSA-N 0 0 297.358 3.123 20 10 CGCDRN C[C@H]1CCCC[C@H]1NC(=S)N(C)Cc1ccccc1O ZINC000917581658 624292191 /nfs/dbraw/zinc/29/21/91/624292191.db2.gz NRRWYAYJDQTHLJ-GXTWGEPZSA-N 0 0 292.448 3.277 20 10 CGCDRN C[C@H]1CCCC[C@@H]1NC(=S)N(C)Cc1ccccc1O ZINC000917581659 624292322 /nfs/dbraw/zinc/29/23/22/624292322.db2.gz NRRWYAYJDQTHLJ-JSGCOSHPSA-N 0 0 292.448 3.277 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)C=C2CCCC2)cc1 ZINC000917954135 624320584 /nfs/dbraw/zinc/32/05/84/624320584.db2.gz GMWNFHKHMIQRDB-UHFFFAOYSA-N 0 0 272.392 3.211 20 10 CGCDRN Cc1cc(CSc2ncc(Cl)s2)c(C)nn1 ZINC000918095137 624333381 /nfs/dbraw/zinc/33/33/81/624333381.db2.gz FBMAZHDBSPDRDT-UHFFFAOYSA-N 0 0 271.798 3.496 20 10 CGCDRN CC(C)CC(=O)OCSc1ncc(Cl)s1 ZINC000918095683 624333422 /nfs/dbraw/zinc/33/34/22/624333422.db2.gz MBJUIFYPZOBCHH-UHFFFAOYSA-N 0 0 265.787 3.435 20 10 CGCDRN CN(C(=O)/C=C\c1cnccn1)c1ccc(C(C)(C)C)cc1 ZINC000918668604 624366262 /nfs/dbraw/zinc/36/62/62/624366262.db2.gz MMXDFMNQGWBZPP-YFHOEESVSA-N 0 0 295.386 3.450 20 10 CGCDRN COC(=O)[C@H](Sc1nccs1)c1ccccc1 ZINC000919675732 624416890 /nfs/dbraw/zinc/41/68/90/624416890.db2.gz YBMFGHRYXXPNDT-SNVBAGLBSA-N 0 0 265.359 3.150 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCCSC)c1 ZINC000155148169 624435954 /nfs/dbraw/zinc/43/59/54/624435954.db2.gz RBVUDGREZDKMQX-LLVKDONJSA-N 0 0 297.420 3.111 20 10 CGCDRN COc1ccc2c(c1)CCCN2CCOC(C)(C)C ZINC000920257130 624463633 /nfs/dbraw/zinc/46/36/33/624463633.db2.gz GOMXFFOPYMLTRC-UHFFFAOYSA-N 0 0 263.381 3.263 20 10 CGCDRN C[C@@H](Nc1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000920869795 624548142 /nfs/dbraw/zinc/54/81/42/624548142.db2.gz CLHVYXBAWUVFLU-GFCCVEGCSA-N 0 0 289.404 3.153 20 10 CGCDRN Oc1ccc(F)cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000180205990 624729121 /nfs/dbraw/zinc/72/91/21/624729121.db2.gz FXAKSAAZWQIZCU-ZFWWWQNUSA-N 0 0 281.396 3.391 20 10 CGCDRN Nc1ccc(CC(=O)NCCCCCc2ccccc2)cc1 ZINC000238111174 624738691 /nfs/dbraw/zinc/73/86/91/624738691.db2.gz HBIKTRXCMXJCDF-UHFFFAOYSA-N 0 0 296.414 3.341 20 10 CGCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181093492 624807141 /nfs/dbraw/zinc/80/71/41/624807141.db2.gz MTHCHRMJIRWQIO-FUDMEFDJSA-N 0 0 289.375 3.052 20 10 CGCDRN CCOc1ccc(C#N)cc1NCc1cc(F)ccc1O ZINC000181417768 624858675 /nfs/dbraw/zinc/85/86/75/624858675.db2.gz FFAMTKYTEPRHER-UHFFFAOYSA-N 0 0 286.306 3.414 20 10 CGCDRN CCc1ccccc1NC(=S)NCc1ncccc1C ZINC000242839727 624956540 /nfs/dbraw/zinc/95/65/40/624956540.db2.gz FVGRVNVMOIPRCS-UHFFFAOYSA-N 0 0 285.416 3.439 20 10 CGCDRN CCc1cccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000182478344 625005280 /nfs/dbraw/zinc/00/52/80/625005280.db2.gz DGIZXACVFDJREN-UHFFFAOYSA-N 0 0 291.372 3.064 20 10 CGCDRN CC1(C)CCC(CC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000182537972 625010191 /nfs/dbraw/zinc/01/01/91/625010191.db2.gz OJOQIBAIOSXQKT-UHFFFAOYSA-N 0 0 291.391 3.321 20 10 CGCDRN Cc1ccc(/C=C/CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182523301 625010337 /nfs/dbraw/zinc/01/03/37/625010337.db2.gz DOTWGRPXAJKJPQ-NSCUHMNNSA-N 0 0 297.354 3.126 20 10 CGCDRN Cc1ccccc1NC(=S)NCc1ncccc1C ZINC000243860391 625023087 /nfs/dbraw/zinc/02/30/87/625023087.db2.gz RIWAYWZVWQTHQS-UHFFFAOYSA-N 0 0 271.389 3.185 20 10 CGCDRN Cc1csc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)n1 ZINC000070988829 625049026 /nfs/dbraw/zinc/04/90/26/625049026.db2.gz VCFPQQIUVJAJGF-LLVKDONJSA-N 0 0 262.378 3.316 20 10 CGCDRN CCN(CC)c1ccc(CNc2nocc2C)cc1 ZINC000184041354 625200866 /nfs/dbraw/zinc/20/08/66/625200866.db2.gz OLBNQYSAAZOILR-UHFFFAOYSA-N 0 0 259.353 3.441 20 10 CGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc2ccccc2o1 ZINC000184146852 625205344 /nfs/dbraw/zinc/20/53/44/625205344.db2.gz UFXSEUJOBOOLQL-SNVBAGLBSA-N 0 0 284.315 3.282 20 10 CGCDRN Cc1cc(C(=O)N(C)[C@H](C)C2CC2)c(C)n1-c1ccccn1 ZINC000071947718 625209272 /nfs/dbraw/zinc/20/92/72/625209272.db2.gz SNBBUBGFXYNGQD-CYBMUJFWSA-N 0 0 297.402 3.360 20 10 CGCDRN FC(F)C(F)(F)CNCc1ccc2c(c1)CCCO2 ZINC000922145032 625972650 /nfs/dbraw/zinc/97/26/50/625972650.db2.gz NPJBTUGPTCZRGF-UHFFFAOYSA-N 0 0 277.261 3.002 20 10 CGCDRN COC(=O)c1ccccc1CCSc1nccs1 ZINC000186595623 626062865 /nfs/dbraw/zinc/06/28/65/626062865.db2.gz AAMMZAAQZOKRGN-UHFFFAOYSA-N 0 0 279.386 3.265 20 10 CGCDRN C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)C[C@@H]1C ZINC000186984663 626086013 /nfs/dbraw/zinc/08/60/13/626086013.db2.gz AHAQPMKCIUFDEG-IPYPFGDCSA-N 0 0 290.407 3.358 20 10 CGCDRN C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124691074 634485092 /nfs/dbraw/zinc/48/50/92/634485092.db2.gz AGRIDNCFWAXOOC-JTQLQIEISA-N 0 0 265.740 3.359 20 10 CGCDRN CCCCCN(CCOC)c1ccc(OC)c(OC)c1 ZINC000751484393 626392976 /nfs/dbraw/zinc/39/29/76/626392976.db2.gz XPOWWWRYBLEUEC-UHFFFAOYSA-N 0 0 281.396 3.347 20 10 CGCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)nn1[C@H](C)C1CC1 ZINC000753468371 626452311 /nfs/dbraw/zinc/45/23/11/626452311.db2.gz JNYWCANPGVPYAR-SECBINFHSA-N 0 0 291.376 3.182 20 10 CGCDRN C[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000753594862 626457594 /nfs/dbraw/zinc/45/75/94/626457594.db2.gz IDLSUJDMZVRHKJ-HUUCEWRRSA-N 0 0 299.773 3.232 20 10 CGCDRN COc1ccc2c(c1)CCCN2CC[C@@H]1CCCCO1 ZINC000754010324 626472158 /nfs/dbraw/zinc/47/21/58/626472158.db2.gz RUVOXLSKRIKBPV-HNNXBMFYSA-N 0 0 275.392 3.407 20 10 CGCDRN C[C@H]1COC(C)(C)CN1Cc1cc(Cl)ccc1O ZINC000754156557 626561681 /nfs/dbraw/zinc/56/16/81/626561681.db2.gz SJMBHQYRFVWFFW-JTQLQIEISA-N 0 0 269.772 3.045 20 10 CGCDRN CCC[C@H](C)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000756387252 626700033 /nfs/dbraw/zinc/70/00/33/626700033.db2.gz KKXGUBWZTPGHSG-BBRMVZONSA-N 0 0 292.423 3.122 20 10 CGCDRN C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(F)cc1[O-] ZINC000756483874 626708819 /nfs/dbraw/zinc/70/88/19/626708819.db2.gz YKRDLGTVVJHQEM-GFCCVEGCSA-N 0 0 299.349 3.232 20 10 CGCDRN Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756635875 626722863 /nfs/dbraw/zinc/72/28/63/626722863.db2.gz HUQOXVXPHVRKMV-WBMJQRKESA-N 0 0 289.350 3.224 20 10 CGCDRN CN(CCOc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000756655415 626724578 /nfs/dbraw/zinc/72/45/78/626724578.db2.gz SBTNAKAYIDTVJL-UHFFFAOYSA-N 0 0 289.306 3.070 20 10 CGCDRN CCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000756650646 626724824 /nfs/dbraw/zinc/72/48/24/626724824.db2.gz ZBWAIFLUJGAOHQ-GFCCVEGCSA-N 0 0 291.391 3.410 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2CCC2)c1 ZINC000756744214 626729137 /nfs/dbraw/zinc/72/91/37/626729137.db2.gz ZRYBMHGHMQUJID-LLVKDONJSA-N 0 0 277.364 3.020 20 10 CGCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000756790719 626732736 /nfs/dbraw/zinc/73/27/36/626732736.db2.gz OPUQDHILERUJHP-XEQNPHJVSA-N 0 0 281.371 3.241 20 10 CGCDRN CCc1nn(C)cc1N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756856708 626737858 /nfs/dbraw/zinc/73/78/58/626737858.db2.gz HNEMSSMVQPIPDP-SKDRFNHKSA-N 0 0 289.354 3.488 20 10 CGCDRN COc1cc2c(c(OC)c1)N(CCC(F)(F)F)CCC2 ZINC000839654951 626770149 /nfs/dbraw/zinc/77/01/49/626770149.db2.gz CTRKWMPUAXTGQJ-UHFFFAOYSA-N 0 0 289.297 3.409 20 10 CGCDRN O=C(NCc1ccccc1O)c1cc(F)cc(Cl)c1 ZINC000757384007 626772233 /nfs/dbraw/zinc/77/22/33/626772233.db2.gz YPIHQXOIELMLMW-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)o2)c1 ZINC000103530138 626774910 /nfs/dbraw/zinc/77/49/10/626774910.db2.gz YUQVDQFEFXCSEO-QMMMGPOBSA-N 0 0 295.722 3.138 20 10 CGCDRN C[C@H](Nc1cccc2c1OCO2)c1ccc(F)cc1O ZINC000757660019 626798435 /nfs/dbraw/zinc/79/84/35/626798435.db2.gz YIJVENQJWAHNLK-VIFPVBQESA-N 0 0 275.279 3.433 20 10 CGCDRN CCCN(CC(=O)OC(C)(C)C)Cc1cccc(C)c1O ZINC000758028288 626822156 /nfs/dbraw/zinc/82/21/56/626822156.db2.gz DEUDZBJFLRMAQT-UHFFFAOYSA-N 0 0 293.407 3.254 20 10 CGCDRN CCN1C(=O)/C(=C/c2cnc(C(C)C)s2)SC1=S ZINC000758416007 626842510 /nfs/dbraw/zinc/84/25/10/626842510.db2.gz NWKZRNIPACQOTN-UITAMQMPSA-N 0 0 298.458 3.488 20 10 CGCDRN CC(C)(C)c1cnc(SCCn2ccccc2=O)s1 ZINC000759712999 626916938 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C[C@@H]1CCC[C@H](CNC(=O)NCc2ccccc2O)[C@H]1C ZINC000796636041 629808297 /nfs/dbraw/zinc/80/82/97/629808297.db2.gz KFGHUMMJHCSQRK-HZSPNIEDSA-N 0 0 290.407 3.264 20 10 CGCDRN CC[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000796696908 629815970 /nfs/dbraw/zinc/81/59/70/629815970.db2.gz WHLSVSFWYLNSPY-INIZCTEOSA-N 0 0 294.414 3.304 20 10 CGCDRN CC[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(F)cc1[O-] ZINC000796701708 629816868 /nfs/dbraw/zinc/81/68/68/629816868.db2.gz ICFGXDTZPZWOKH-OAHLLOKOSA-N 0 0 291.370 3.249 20 10 CGCDRN O=C(NCCC1=CCCCC1)N1Cc2cccc(O)c2C1 ZINC000864415481 629827009 /nfs/dbraw/zinc/82/70/09/629827009.db2.gz NHXMQHCFTXWENR-UHFFFAOYSA-N 0 0 286.375 3.308 20 10 CGCDRN C[C@H](NC(=O)NCCc1cccs1)c1ccccc1O ZINC000864423139 629827722 /nfs/dbraw/zinc/82/77/22/629827722.db2.gz IGERWOSPJIGLSL-NSHDSACASA-N 0 0 290.388 3.057 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796774968 629831177 /nfs/dbraw/zinc/83/11/77/629831177.db2.gz AOTMCSXHZYKVPM-JSGCOSHPSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796782114 629832544 /nfs/dbraw/zinc/83/25/44/629832544.db2.gz OYHLNSAGEWTNMR-NJZAAPMLSA-N 0 0 283.387 3.369 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)c1ccc(F)cc1[O-] ZINC000796976265 629868122 /nfs/dbraw/zinc/86/81/22/629868122.db2.gz RIJHRCBJFHDFCU-IUODEOHRSA-N 0 0 282.403 3.302 20 10 CGCDRN CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000797115434 629890939 /nfs/dbraw/zinc/89/09/39/629890939.db2.gz SZLVMVIYSSWSDZ-AAEUAGOBSA-N 0 0 298.377 3.195 20 10 CGCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000120387300 630006393 /nfs/dbraw/zinc/00/63/93/630006393.db2.gz AMTXIWDBXHCTSU-NEPJUHHUSA-N 0 0 295.402 3.126 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000798959845 630128424 /nfs/dbraw/zinc/12/84/24/630128424.db2.gz GGLKDCAYUUGKIJ-CYBMUJFWSA-N 0 0 297.826 3.324 20 10 CGCDRN COc1ccc(N(C)Cc2cnc(Cl)cn2)cc1Cl ZINC000799128726 630149068 /nfs/dbraw/zinc/14/90/68/630149068.db2.gz SHEHDMVYTLLMLA-UHFFFAOYSA-N 0 0 298.173 3.428 20 10 CGCDRN CCOc1cccc(CN2CCCC[C@@H]2C(F)F)c1O ZINC000800533211 630291964 /nfs/dbraw/zinc/29/19/64/630291964.db2.gz KJIOOBKBRXVCSR-GFCCVEGCSA-N 0 0 285.334 3.411 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC(C)C ZINC000839914982 630294176 /nfs/dbraw/zinc/29/41/76/630294176.db2.gz WHRMKWKQAUJGCU-AWEZNQCLSA-N 0 0 276.424 3.154 20 10 CGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC=CC1 ZINC000839920030 630296892 /nfs/dbraw/zinc/29/68/92/630296892.db2.gz ZUPWCEZWWFYTAZ-AWEZNQCLSA-N 0 0 286.419 3.074 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000801168398 630326165 /nfs/dbraw/zinc/32/61/65/630326165.db2.gz DSUKXXGVQHDXQT-RYUDHWBXSA-N 0 0 283.318 3.032 20 10 CGCDRN CC[C@H](C)CCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000802782292 630411393 /nfs/dbraw/zinc/41/13/93/630411393.db2.gz QSNVXUDYHLDWCF-NWDGAFQWSA-N 0 0 279.380 3.404 20 10 CGCDRN C[C@@H](NC(=O)c1cc[nH]c1C1CC1)c1ccc(N(C)C)cc1 ZINC000803119834 630448454 /nfs/dbraw/zinc/44/84/54/630448454.db2.gz AHDCUKYGGLIUDI-GFCCVEGCSA-N 0 0 297.402 3.449 20 10 CGCDRN CCC(C)(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000102608110 634813994 /nfs/dbraw/zinc/81/39/94/634813994.db2.gz REZACRRJZCXTLN-UHFFFAOYSA-N 0 0 274.408 3.121 20 10 CGCDRN COc1cccc(CNc2ccnc3cc(F)cnc32)c1O ZINC000804425238 630526972 /nfs/dbraw/zinc/52/69/72/630526972.db2.gz UBZBEBLZSYHCQC-UHFFFAOYSA-N 0 0 299.305 3.095 20 10 CGCDRN CC[C@H]([NH2+]CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806171745 630553100 /nfs/dbraw/zinc/55/31/00/630553100.db2.gz VDOFRWVFINUXOB-NSHDSACASA-N 0 0 291.222 3.301 20 10 CGCDRN CCC[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000840058672 630557210 /nfs/dbraw/zinc/55/72/10/630557210.db2.gz BZYJDHFJKUWYFN-ZDUSSCGKSA-N 0 0 276.405 3.340 20 10 CGCDRN Cn1c(-c2ccccc2)cnc1SCc1cnns1 ZINC000806585595 630569064 /nfs/dbraw/zinc/56/90/64/630569064.db2.gz GFYFWENSTHKKFT-UHFFFAOYSA-N 0 0 288.401 3.231 20 10 CGCDRN C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809701058 630785849 /nfs/dbraw/zinc/78/58/49/630785849.db2.gz AZTVAMDMDXPUNR-CPCISQLKSA-N 0 0 275.776 3.026 20 10 CGCDRN CC[N@H+](Cc1oc(C)nc1C)Cc1ccc(N(C)C)cc1 ZINC000809934238 630816815 /nfs/dbraw/zinc/81/68/15/630816815.db2.gz NAIWGEIZRFWVFD-UHFFFAOYSA-N 0 0 287.407 3.380 20 10 CGCDRN COc1ccc2c(c1)CCCCN2CC[C@H]1CCOC1 ZINC000811508542 631079129 /nfs/dbraw/zinc/07/91/29/631079129.db2.gz VRZOIPGEJSRKTI-AWEZNQCLSA-N 0 0 275.392 3.265 20 10 CGCDRN CC[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000876527626 634850700 /nfs/dbraw/zinc/85/07/00/634850700.db2.gz CKGHWBSSXXWVQB-GOEBONIOSA-N 0 0 274.408 3.144 20 10 CGCDRN Cc1cc(O)c(CN2C[C@H](CO)Cc3ccccc32)cc1C ZINC000814169719 631536427 /nfs/dbraw/zinc/53/64/27/631536427.db2.gz LTQVWSKJXRSOQX-OAHLLOKOSA-N 0 0 297.398 3.180 20 10 CGCDRN CCN(CC)c1ccc(CNC(=S)NC2CCC2)cc1 ZINC000814194311 631545439 /nfs/dbraw/zinc/54/54/39/631545439.db2.gz RYIQOBPVTPQDDQ-UHFFFAOYSA-N 0 0 291.464 3.049 20 10 CGCDRN CCC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815076774 631712975 /nfs/dbraw/zinc/71/29/75/631712975.db2.gz MDBLVMZZMFXZKE-INIZCTEOSA-N 0 0 276.424 3.062 20 10 CGCDRN Cc1c(N[C@H](C)c2c(C)cc(C)cc2O)cnn1C ZINC000815609475 631805737 /nfs/dbraw/zinc/80/57/37/631805737.db2.gz JIIXEOJYXJIOQZ-LLVKDONJSA-N 0 0 259.353 3.224 20 10 CGCDRN CCc1noc(C)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000815640638 631810809 /nfs/dbraw/zinc/81/08/09/631810809.db2.gz CIDRVHVRRRUEHX-MRVPVSSYSA-N 0 0 296.317 3.380 20 10 CGCDRN C[C@H]1C[C@@H](NCC(C)(F)F)c2c1c(F)ccc2O ZINC000815644505 631811862 /nfs/dbraw/zinc/81/18/62/631811862.db2.gz DASYIDSWYQNQIH-IONNQARKSA-N 0 0 259.271 3.324 20 10 CGCDRN C[C@H](NC(=O)c1sccc1F)c1ccc(N(C)C)cc1 ZINC000816180348 631895905 /nfs/dbraw/zinc/89/59/05/631895905.db2.gz MJLRZXOWBQGVPX-JTQLQIEISA-N 0 0 292.379 3.444 20 10 CGCDRN C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816512127 631998417 /nfs/dbraw/zinc/99/84/17/631998417.db2.gz XWMDFTBRFPVVOZ-MRVPVSSYSA-N 0 0 275.776 3.122 20 10 CGCDRN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC1 ZINC000816510186 631998628 /nfs/dbraw/zinc/99/86/28/631998628.db2.gz OTLMWXGDQWZWKI-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCS1 ZINC000816556337 632011404 /nfs/dbraw/zinc/01/14/04/632011404.db2.gz GKPDLLCTYKDZFO-SECBINFHSA-N 0 0 275.776 3.170 20 10 CGCDRN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560733 632013037 /nfs/dbraw/zinc/01/30/37/632013037.db2.gz YOFLCCSNBRTGLP-XPTSAGLGSA-N 0 0 287.762 3.089 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)/C=C\[C@H]3CCOC3)cc12 ZINC000817760606 632222896 /nfs/dbraw/zinc/22/28/96/632222896.db2.gz BGDGRHLICSHECT-ZBKLQPJUSA-N 0 0 299.370 3.293 20 10 CGCDRN C[C@@H](Nc1ccc(COCCO)cc1)c1ccccc1O ZINC000818361052 632315348 /nfs/dbraw/zinc/31/53/48/632315348.db2.gz HEJCDZHFLDRMHO-CYBMUJFWSA-N 0 0 287.359 3.074 20 10 CGCDRN CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(N)cc1 ZINC000818556271 632334354 /nfs/dbraw/zinc/33/43/54/632334354.db2.gz HDEJEEJRWXIWSL-UHFFFAOYSA-N 0 0 286.379 3.387 20 10 CGCDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cnn(C)c1 ZINC000818809471 632351449 /nfs/dbraw/zinc/35/14/49/632351449.db2.gz PYNCLEDYQFROLM-FNORWQNLSA-N 0 0 289.766 3.058 20 10 CGCDRN COc1cc2c(cc1NC[C@@H](C)O)oc1ccccc12 ZINC000819400021 632450826 /nfs/dbraw/zinc/45/08/26/632450826.db2.gz ZZCPQUAXSMGPFI-SNVBAGLBSA-N 0 0 271.316 3.387 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(F)=C1CCC1 ZINC000819398466 632451088 /nfs/dbraw/zinc/45/10/88/632451088.db2.gz MLFAURLWMCLNCG-UHFFFAOYSA-N 0 0 289.350 3.295 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C)CC(F)(F)C2)c1 ZINC000821065411 632720890 /nfs/dbraw/zinc/72/08/90/632720890.db2.gz NQKWAORLEXUKMI-SECBINFHSA-N 0 0 299.317 3.013 20 10 CGCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822072492 632862284 /nfs/dbraw/zinc/86/22/84/632862284.db2.gz IYVCDPAGDXMYFR-GXFFZTMASA-N 0 0 288.351 3.110 20 10 CGCDRN CCCC[N@H+](Cc1snnc1C)Cc1ccccc1O ZINC000844323103 635869483 /nfs/dbraw/zinc/86/94/83/635869483.db2.gz KZWSFVWWUZNRNH-UHFFFAOYSA-N 0 0 291.420 3.354 20 10 CGCDRN C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822862657 633031848 /nfs/dbraw/zinc/03/18/48/633031848.db2.gz JVRYWNSNACNHCC-SJKOYZFVSA-N 0 0 292.398 3.334 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822863931 633032184 /nfs/dbraw/zinc/03/21/84/633032184.db2.gz UZTFYNHYOYSGOL-KGLIPLIRSA-N 0 0 292.398 3.334 20 10 CGCDRN CC(C)(C)CC(C)(C)C(=O)NCc1ccc(O)cc1O ZINC000822972967 633044587 /nfs/dbraw/zinc/04/45/87/633044587.db2.gz YOAJWRDTVBSDKT-UHFFFAOYSA-N 0 0 279.380 3.176 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC23CC3)c1 ZINC000866411125 633127030 /nfs/dbraw/zinc/12/70/30/633127030.db2.gz CWOCLKKBKVRYKG-XHDPSFHLSA-N 0 0 289.375 3.162 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866481393 633154357 /nfs/dbraw/zinc/15/43/57/633154357.db2.gz QZHOBMQBTYXQDK-ZYHUDNBSSA-N 0 0 296.392 3.237 20 10 CGCDRN COc1ccc2c(c1)CCCN2Cc1cc(F)ncc1F ZINC000824131623 633202326 /nfs/dbraw/zinc/20/23/26/633202326.db2.gz XPLFOXQHRSXTIH-UHFFFAOYSA-N 0 0 290.313 3.321 20 10 CGCDRN CC[C@H](CC(=O)NCCc1ccc(O)c(O)c1)C(C)(C)C ZINC000866757574 633240411 /nfs/dbraw/zinc/24/04/11/633240411.db2.gz YWXCUDVBTPIMKG-CYBMUJFWSA-N 0 0 293.407 3.219 20 10 CGCDRN COC(=O)c1ccc(CSc2nccs2)cc1F ZINC000121811093 633266565 /nfs/dbraw/zinc/26/65/65/633266565.db2.gz QMDQQSBZBWOMSU-UHFFFAOYSA-N 0 0 283.349 3.361 20 10 CGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccsc2C)c1 ZINC000825736578 633378709 /nfs/dbraw/zinc/37/87/09/633378709.db2.gz CRILETDPRMVOEU-SECBINFHSA-N 0 0 291.372 3.262 20 10 CGCDRN CC[C@@H](C)[C@H](C)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000826566072 633414727 /nfs/dbraw/zinc/41/47/27/633414727.db2.gz XVRKEIKTKRSBIM-ZJUUUORDSA-N 0 0 267.394 3.493 20 10 CGCDRN Cc1cc(CC(=O)NC2CCC2)c(C)n1-c1ccccc1 ZINC000826760307 633431078 /nfs/dbraw/zinc/43/10/78/633431078.db2.gz IKCUSQBFCAQYIR-UHFFFAOYSA-N 0 0 282.387 3.305 20 10 CGCDRN CCCCC[C@H](O)C(=O)N(CCC)Cc1ccccc1O ZINC000827081170 633454893 /nfs/dbraw/zinc/45/48/93/633454893.db2.gz DAQMHTSTRXWAPE-INIZCTEOSA-N 0 0 293.407 3.072 20 10 CGCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000827252118 633476412 /nfs/dbraw/zinc/47/64/12/633476412.db2.gz XDSREUHMVYGNAD-GXSJLCMTSA-N 0 0 287.762 3.232 20 10 CGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCC[C@@H]2C)c1 ZINC000827304310 633480517 /nfs/dbraw/zinc/48/05/17/633480517.db2.gz YANVWDGWNAFWSW-NVGCLXPQSA-N 0 0 291.391 3.404 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000827371707 633485749 /nfs/dbraw/zinc/48/57/49/633485749.db2.gz YOLZFUXPQZHFCL-ZJUUUORDSA-N 0 0 287.762 3.184 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000827481971 633493837 /nfs/dbraw/zinc/49/38/37/633493837.db2.gz RCYCEIVMEZZVLF-YFKFIEJBSA-N 0 0 255.720 3.073 20 10 CGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1SCCS1 ZINC000827614936 633503954 /nfs/dbraw/zinc/50/39/54/633503954.db2.gz YDTILNHMGDKNLX-UHFFFAOYSA-N 0 0 293.816 3.080 20 10 CGCDRN C[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1O ZINC000827946316 633538445 /nfs/dbraw/zinc/53/84/45/633538445.db2.gz DHCSYVXWQPBIHI-MNOVXSKESA-N 0 0 283.318 3.395 20 10 CGCDRN C[C@@H](NC(=O)[C@@]1(C)CC=CCC1)c1ccccc1O ZINC000827952196 633538884 /nfs/dbraw/zinc/53/88/84/633538884.db2.gz JHQGVVVIUKMRMR-WBMJQRKESA-N 0 0 259.349 3.316 20 10 CGCDRN CC[C@H]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827952100 633539046 /nfs/dbraw/zinc/53/90/46/633539046.db2.gz GIVDTWULZFNDKS-MBNYWOFBSA-N 0 0 261.365 3.396 20 10 CGCDRN C[C@@H](NC(=O)CCCC(=O)C(C)(C)C)c1ccccc1O ZINC000827952045 633539068 /nfs/dbraw/zinc/53/90/68/633539068.db2.gz DVDMETBCGHKWKM-GFCCVEGCSA-N 0 0 291.391 3.355 20 10 CGCDRN CC(C)C[C@H](C)OCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827972891 633542554 /nfs/dbraw/zinc/54/25/54/633542554.db2.gz CEAIORBDEHTVQP-KBPBESRZSA-N 0 0 293.407 3.411 20 10 CGCDRN CC[C@H]1C[C@H](CC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827969161 633543034 /nfs/dbraw/zinc/54/30/34/633543034.db2.gz IUZUEJDHLSJGDL-MJBXVCDLSA-N 0 0 291.391 3.165 20 10 CGCDRN C[C@H](NC(=O)/C=C1/CC[C@@H](C)C1)c1ccccc1O ZINC000827973219 633543039 /nfs/dbraw/zinc/54/30/39/633543039.db2.gz LEZJVIOVMKVUBK-SZKSSMSYSA-N 0 0 259.349 3.316 20 10 CGCDRN Cc1noc(C(F)F)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827973349 633543273 /nfs/dbraw/zinc/54/32/73/633543273.db2.gz MBXRHOSUMJTXBU-ZETCQYMHSA-N 0 0 296.273 3.117 20 10 CGCDRN CC(C)CCO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978651 633544144 /nfs/dbraw/zinc/54/41/44/633544144.db2.gz ZBHNVOSFKJHVDZ-STQMWFEESA-N 0 0 279.380 3.021 20 10 CGCDRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827984945 633545162 /nfs/dbraw/zinc/54/51/62/633545162.db2.gz GLFYGCZUXSSPHR-KBPBESRZSA-N 0 0 299.370 3.345 20 10 CGCDRN Cc1cc(Cn2ccnc2)ccc1N1CCCCC1 ZINC000828109537 633561151 /nfs/dbraw/zinc/56/11/51/633561151.db2.gz LCLOPMXTYWQLCI-UHFFFAOYSA-N 0 0 255.365 3.230 20 10 CGCDRN CCCONC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000828232068 633591981 /nfs/dbraw/zinc/59/19/81/633591981.db2.gz LHFXVUMPBVMVGR-UHFFFAOYSA-N 0 0 293.411 3.016 20 10 CGCDRN 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CCCOc1ccc(CN[C@H](C)c2ccn(C)n2)cc1C ZINC000873130545 634252730 /nfs/dbraw/zinc/25/27/30/634252730.db2.gz HNEKKOAXPBDEAS-CQSZACIVSA-N 0 0 287.407 3.368 20 10 CGCDRN Cc1cccnc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834885607 634266552 /nfs/dbraw/zinc/26/65/52/634266552.db2.gz KYTPRQHFHWLHAM-NSHDSACASA-N 0 0 292.329 3.267 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(F)cc(F)c1[O-] ZINC000834905115 634281396 /nfs/dbraw/zinc/28/13/96/634281396.db2.gz SSFSSJSBSXSXNB-VIFPVBQESA-N 0 0 287.350 3.118 20 10 CGCDRN CN(C)c1ccc(/C=C/CNCC(F)(F)C(F)F)cc1 ZINC000835049502 634335634 /nfs/dbraw/zinc/33/56/34/634335634.db2.gz GPWRRIIYIXSDOB-ONEGZZNKSA-N 0 0 290.304 3.256 20 10 CGCDRN COc1ccc(OC)c(NCc2ccccc2O)c1 ZINC000019910460 634373393 /nfs/dbraw/zinc/37/33/93/634373393.db2.gz PDYHPTBZNMEOEV-UHFFFAOYSA-N 0 0 259.305 3.022 20 10 CGCDRN Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])on1 ZINC000876617784 634868436 /nfs/dbraw/zinc/86/84/36/634868436.db2.gz VAAUFSHRBCCFPW-LBPRGKRZSA-N 0 0 294.301 3.304 20 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290.313 3.055 20 10 CGCDRN [O-]c1c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)ccc(F)c1F ZINC000877500316 635062832 /nfs/dbraw/zinc/06/28/32/635062832.db2.gz FCHNOBYIWKHGRM-LLVKDONJSA-N 0 0 290.313 3.055 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(F)cc1[O-] ZINC000840876855 635071481 /nfs/dbraw/zinc/07/14/81/635071481.db2.gz PMXDOLVCIYUHOD-LLVKDONJSA-N 0 0 281.371 3.387 20 10 CGCDRN CCc1ncc(CNCc2c(O)cc(C)cc2Cl)o1 ZINC000840951284 635090329 /nfs/dbraw/zinc/09/03/29/635090329.db2.gz VBPANYICXWKQNY-UHFFFAOYSA-N 0 0 280.755 3.194 20 10 CGCDRN Cc1ccc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c(O)c1 ZINC000877607300 635109664 /nfs/dbraw/zinc/10/96/64/635109664.db2.gz CYJZVIZQLCDWQI-AWEZNQCLSA-N 0 0 275.392 3.092 20 10 CGCDRN COc1cccc(O)c1CNc1ccc2c(c1)CCCN2 ZINC000841036994 635111007 /nfs/dbraw/zinc/11/10/07/635111007.db2.gz RDBRSACTHGFQLN-UHFFFAOYSA-N 0 0 284.359 3.371 20 10 CGCDRN Nc1ccc(NCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000841040269 635112411 /nfs/dbraw/zinc/11/24/11/635112411.db2.gz MZNOMZFQPMPFEL-GOSISDBHSA-N 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YDMHTGLXRBDJFT-OAHLLOKOSA-N 0 0 284.363 3.327 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000877700474 635151478 /nfs/dbraw/zinc/15/14/78/635151478.db2.gz ASHMADSTMHLEQT-GJZGRUSLSA-N 0 0 295.810 3.483 20 10 CGCDRN CCCCC[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841614600 635197435 /nfs/dbraw/zinc/19/74/35/635197435.db2.gz PLQIRWHJEBYZJH-ZDUSSCGKSA-N 0 0 277.412 3.079 20 10 CGCDRN COC(=O)c1cnc(SC[C@@H](CC(C)C)OC)s1 ZINC000841671686 635211126 /nfs/dbraw/zinc/21/11/26/635211126.db2.gz YMSAPGWFSYEMKA-SECBINFHSA-N 0 0 289.422 3.083 20 10 CGCDRN C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755565 635229830 /nfs/dbraw/zinc/22/98/30/635229830.db2.gz JHRAPQRTCKCWRW-MNOVXSKESA-N 0 0 271.788 3.105 20 10 CGCDRN C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841809508 635238274 /nfs/dbraw/zinc/23/82/74/635238274.db2.gz ZSRRUCZQWHEIFU-AWEZNQCLSA-N 0 0 290.407 3.020 20 10 CGCDRN COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CC(=O)[O-])cc1C ZINC000841823012 635238803 /nfs/dbraw/zinc/23/88/03/635238803.db2.gz UGSZJESKVJJPIG-HUUCEWRRSA-N 0 0 291.391 3.127 20 10 CGCDRN CO[C@H](COc1ccc(N(C)C)cc1)CC(C)C ZINC000842043571 635264207 /nfs/dbraw/zinc/26/42/07/635264207.db2.gz MKHKWDKJSAVYLB-HNNXBMFYSA-N 0 0 251.370 3.193 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1OC ZINC000877996927 635314072 /nfs/dbraw/zinc/31/40/72/635314072.db2.gz YDZLRBNINMMUCA-QEJZJMRPSA-N 0 0 291.391 3.098 20 10 CGCDRN COc1ccc(N2CC[C@H](COC(=O)C=C(C)C)C2)cc1 ZINC000842878857 635504476 /nfs/dbraw/zinc/50/44/76/635504476.db2.gz DMLGWKGSASOAKP-AWEZNQCLSA-N 0 0 289.375 3.031 20 10 CGCDRN CC[C@H](N[C@@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000842925341 635513245 /nfs/dbraw/zinc/51/32/45/635513245.db2.gz ISWVRTRTJAAYRU-GWCFXTLKSA-N 0 0 297.370 3.302 20 10 CGCDRN Nc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000843256050 635627284 /nfs/dbraw/zinc/62/72/84/635627284.db2.gz CLEOOFVTHQTMCT-JKSUJKDBSA-N 0 0 272.392 3.101 20 10 CGCDRN CCc1cnc(NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000878825924 635638124 /nfs/dbraw/zinc/63/81/24/635638124.db2.gz HJMLUFIQURODMX-VIFPVBQESA-N 0 0 291.376 3.294 20 10 CGCDRN CC[C@@H](C)C[C@H](NCc1cc(C)c(C)cc1O)C(=O)OC ZINC000843416091 635663561 /nfs/dbraw/zinc/66/35/61/635663561.db2.gz OJKXIMTUABSHHY-ABAIWWIYSA-N 0 0 293.407 3.076 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000843429183 635672258 /nfs/dbraw/zinc/67/22/58/635672258.db2.gz SOXLGFKUFLUWFH-AWEZNQCLSA-N 0 0 281.783 3.047 20 10 CGCDRN Cc1cccc2c1CCCN2C(=O)Cc1ccc(N)cc1 ZINC000843439706 635677728 /nfs/dbraw/zinc/67/77/28/635677728.db2.gz ZQCKMHKYNBYXJW-UHFFFAOYSA-N 0 0 280.371 3.099 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\C2CCCC2)cc1 ZINC000843758084 635776213 /nfs/dbraw/zinc/77/62/13/635776213.db2.gz KDNVFCIPFVKUIT-RAXLEYEMSA-N 0 0 286.419 3.457 20 10 CGCDRN CC1CCN(c2ccc(CNC(=O)C3(F)CC3)cc2)CC1 ZINC000843792630 635781385 /nfs/dbraw/zinc/78/13/85/635781385.db2.gz UCXZYBHTCMNHCP-UHFFFAOYSA-N 0 0 290.382 3.041 20 10 CGCDRN CC(C)=CCC[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000843830074 635786506 /nfs/dbraw/zinc/78/65/06/635786506.db2.gz AUNJIQSNJWYVFN-CYBMUJFWSA-N 0 0 291.391 3.487 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000843833857 635787068 /nfs/dbraw/zinc/78/70/68/635787068.db2.gz XXOMJYHMGIVQMV-CABCVRRESA-N 0 0 273.376 3.225 20 10 CGCDRN CCOC(=O)[C@H](N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000879648488 635825024 /nfs/dbraw/zinc/82/50/24/635825024.db2.gz REIBSSGFHOIMIH-CXAGYDPISA-N 0 0 299.370 3.347 20 10 CGCDRN CCOC(=O)[C@@H](CC(C)C)N[C@@H](C)c1ccccc1O ZINC000879650678 635827984 /nfs/dbraw/zinc/82/79/84/635827984.db2.gz NADQIAVDTXZCBW-GXTWGEPZSA-N 0 0 279.380 3.021 20 10 CGCDRN COc1ccc(N(C)Cc2snnc2C)cc1Cl ZINC000844302275 635864418 /nfs/dbraw/zinc/86/44/18/635864418.db2.gz GYRQJDHBXHXLRX-UHFFFAOYSA-N 0 0 283.784 3.145 20 10 CGCDRN Cc1cc(CNC2(c3ncccn3)CCC2)ccc1N(C)C ZINC000880368219 635982676 /nfs/dbraw/zinc/98/26/76/635982676.db2.gz SNFMJSYLEARJRN-UHFFFAOYSA-N 0 0 296.418 3.020 20 10 CGCDRN COc1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000845989235 636127185 /nfs/dbraw/zinc/12/71/85/636127185.db2.gz GGOZVUBGZAYBOE-NSHDSACASA-N 0 0 275.323 3.391 20 10 CGCDRN COc1ccc(N(C)Cc2ccnn2CC(C)C)cc1 ZINC000845998371 636127518 /nfs/dbraw/zinc/12/75/18/636127518.db2.gz LVVPPRHFERNHKL-UHFFFAOYSA-N 0 0 273.380 3.184 20 10 CGCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C)ccc1O ZINC000846117871 636146825 /nfs/dbraw/zinc/14/68/25/636146825.db2.gz HPKSVACULBJEAH-CQSZACIVSA-N 0 0 293.407 3.253 20 10 CGCDRN COc1cccc([C@H](C)N[C@H](C)C(F)(F)F)c1O ZINC000846173789 636153935 /nfs/dbraw/zinc/15/39/35/636153935.db2.gz USZFRVUCRBYOFB-JGVFFNPUSA-N 0 0 263.259 3.002 20 10 CGCDRN COc1cccc([C@H](C)N[C@@H]2CCCC2(F)F)c1O ZINC000846172669 636154162 /nfs/dbraw/zinc/15/41/62/636154162.db2.gz OEQHPHXVNKAJPO-JOYOIKCWSA-N 0 0 271.307 3.239 20 10 CGCDRN C[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000846205911 636158658 /nfs/dbraw/zinc/15/86/58/636158658.db2.gz UDNIMGYBNKXOEC-ZJUUUORDSA-N 0 0 285.334 3.136 20 10 CGCDRN C[C@]1(CCNC(=O)Nc2ccc(N)cc2)C[C@@]1(F)Cl ZINC000846310932 636174743 /nfs/dbraw/zinc/17/47/43/636174743.db2.gz RTNFOIHRFPESBY-STQMWFEESA-N 0 0 285.750 3.095 20 10 CGCDRN CC(C)n1cccc1C(=O)NCc1cc(Cl)ccc1O ZINC000846472813 636187045 /nfs/dbraw/zinc/18/70/45/636187045.db2.gz FWFGEJWTWHVXEE-UHFFFAOYSA-N 0 0 292.766 3.358 20 10 CGCDRN CC[C@H](CC(F)F)C(=O)NCc1cc(Cl)ccc1O ZINC000846475719 636187951 /nfs/dbraw/zinc/18/79/51/636187951.db2.gz GQNUQOUXCLRWDK-MRVPVSSYSA-N 0 0 291.725 3.343 20 10 CGCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)C(C)(F)F ZINC000846475260 636188209 /nfs/dbraw/zinc/18/82/09/636188209.db2.gz BCROPQNAPVNURQ-UHFFFAOYSA-N 0 0 291.725 3.343 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000846475228 636188263 /nfs/dbraw/zinc/18/82/63/636188263.db2.gz AIADQKYIKCFBTO-UHIISALHSA-N 0 0 291.778 3.264 20 10 CGCDRN CC/C(C)=C\C(=O)NCc1cc(Cl)ccc1O ZINC000846475734 636188291 /nfs/dbraw/zinc/18/82/91/636188291.db2.gz HBCJRXRFMATTGQ-TWGQIWQCSA-N 0 0 253.729 3.018 20 10 CGCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846477704 636189054 /nfs/dbraw/zinc/18/90/54/636189054.db2.gz VLLHXAVIQSETRS-GWCFXTLKSA-N 0 0 281.783 3.488 20 10 CGCDRN CN(C)c1ccc(CNc2cccc3c2OCC3)cc1F ZINC000846747195 636221648 /nfs/dbraw/zinc/22/16/48/636221648.db2.gz CAUNERXKPOYOEJ-UHFFFAOYSA-N 0 0 286.350 3.439 20 10 CGCDRN CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883087876 636537256 /nfs/dbraw/zinc/53/72/56/636537256.db2.gz LITYPIODMVYZAJ-SECBINFHSA-N 0 0 283.240 3.491 20 10 CGCDRN COCc1csc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883175136 636567299 /nfs/dbraw/zinc/56/72/99/636567299.db2.gz ZRYVMSGNOGKONW-UHFFFAOYSA-N 0 0 299.342 3.168 20 10 CGCDRN Cc1cnc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])c(C)c1 ZINC000848560024 636605819 /nfs/dbraw/zinc/60/58/19/636605819.db2.gz JEMVZKVDVWPEHH-CYBMUJFWSA-N 0 0 288.366 3.436 20 10 CGCDRN Cc1noc(C)c1CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000131401733 636651275 /nfs/dbraw/zinc/65/12/75/636651275.db2.gz FNZRYNYWGAKYBO-UHFFFAOYSA-N 0 0 291.370 3.129 20 10 CGCDRN CCc1cccc(CNc2ccc3c(c2)OCCO3)c1O ZINC000848893777 636678932 /nfs/dbraw/zinc/67/89/32/636678932.db2.gz HDRHKNCOQYIROM-UHFFFAOYSA-N 0 0 285.343 3.338 20 10 CGCDRN CCNC(=O)c1cccc(NCc2cccc(CC)c2O)c1 ZINC000848892238 636679076 /nfs/dbraw/zinc/67/90/76/636679076.db2.gz PICSWLBELSKQLU-UHFFFAOYSA-N 0 0 298.386 3.316 20 10 CGCDRN C[C@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000848926266 636699122 /nfs/dbraw/zinc/69/91/22/636699122.db2.gz NWCDBLGEVQVMRR-SNVBAGLBSA-N 0 0 294.757 3.301 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCCO1 ZINC000848927494 636699846 /nfs/dbraw/zinc/69/98/46/636699846.db2.gz GNANOEISXINDJP-UONOGXRCSA-N 0 0 283.799 3.483 20 10 CGCDRN C[C@H]1CC(NC(=O)Nc2ccc(N)cc2)C[C@H](C)C1 ZINC000084979113 636769808 /nfs/dbraw/zinc/76/98/08/636769808.db2.gz JVWWUGFYVLNSER-GHMZBOCLSA-N 0 0 261.369 3.215 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)C=C2CCC2)cc1F ZINC000087334489 636793394 /nfs/dbraw/zinc/79/33/94/636793394.db2.gz SGGBJCUXOPGAKP-UHFFFAOYSA-N 0 0 290.382 3.398 20 10 CGCDRN CC(C)(C)c1ccccc1C(=O)NCc1ccc(N)cc1 ZINC000132526184 636816637 /nfs/dbraw/zinc/81/66/37/636816637.db2.gz AWNIPNUPYHCMHM-UHFFFAOYSA-N 0 0 282.387 3.496 20 10 CGCDRN CCC(CC)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000849745508 636862920 /nfs/dbraw/zinc/86/29/20/636862920.db2.gz TXSABTDSRFKVQR-SOFGYWHQSA-N 0 0 264.321 3.090 20 10 CGCDRN Clc1cnc(SCCO[C@@H]2CCCCO2)s1 ZINC000849998160 636923844 /nfs/dbraw/zinc/92/38/44/636923844.db2.gz BCEYNMSPEQPNEZ-SECBINFHSA-N 0 0 279.814 3.432 20 10 CGCDRN Cc1cc(C)n(CCSc2ncc(Cl)s2)n1 ZINC000849999797 636925228 /nfs/dbraw/zinc/92/52/28/636925228.db2.gz YJLJFPREOQPZHB-UHFFFAOYSA-N 0 0 273.814 3.402 20 10 CGCDRN CCOc1cccc(C[N@H+](C)CCC(C)C)c1O ZINC000133562422 636940195 /nfs/dbraw/zinc/94/01/95/636940195.db2.gz LTXLNBGXHCBBGN-UHFFFAOYSA-N 0 0 251.370 3.269 20 10 CGCDRN COc1cc(CNc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000850115060 636962316 /nfs/dbraw/zinc/96/23/16/636962316.db2.gz UNYWTYNMBJZDEE-UHFFFAOYSA-N 0 0 289.379 3.044 20 10 CGCDRN CC[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000134748410 637036721 /nfs/dbraw/zinc/03/67/21/637036721.db2.gz UETFEIKPRPCNNS-SECBINFHSA-N 0 0 272.186 3.351 20 10 CGCDRN CCOc1ccc(NCc2ccccc2O)nc1C ZINC000850411154 637052937 /nfs/dbraw/zinc/05/29/37/637052937.db2.gz PCUOZFMORUXNPR-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000850492277 637090307 /nfs/dbraw/zinc/09/03/07/637090307.db2.gz CIPWBTHRDTZDEM-JQWIXIFHSA-N 0 0 298.377 3.194 20 10 CGCDRN CC[C@H]([NH2+]CCc1cnccc1C)c1ccccc1O ZINC000850505318 637093369 /nfs/dbraw/zinc/09/33/69/637093369.db2.gz ARZJUISROBPNDC-INIZCTEOSA-N 0 0 270.376 3.379 20 10 CGCDRN CC[C@@H](NCc1ncccn1)c1cc(Cl)ccc1O ZINC000850553056 637118777 /nfs/dbraw/zinc/11/87/77/637118777.db2.gz SQSUIDUEYBEJQM-GFCCVEGCSA-N 0 0 277.755 3.077 20 10 CGCDRN Nc1ccc(CNC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 ZINC000850710894 637135209 /nfs/dbraw/zinc/13/52/09/637135209.db2.gz JNOFUUHYCBTMOB-UKRRQHHQSA-N 0 0 294.345 3.101 20 10 CGCDRN CC1=CC[C@](C)(C(=O)NCc2ccc(N)cc2)CC1 ZINC000850711779 637135462 /nfs/dbraw/zinc/13/54/62/637135462.db2.gz RIXAWWXDSXXOPE-INIZCTEOSA-N 0 0 258.365 3.022 20 10 CGCDRN COc1ccc(N(CC2CC2)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000886231342 637466358 /nfs/dbraw/zinc/46/63/58/637466358.db2.gz BVGRMHGKNNGJCJ-CRAIPNDOSA-N 0 0 287.403 3.338 20 10 CGCDRN CCC[N@H+](Cc1cccc(F)n1)Cc1ccccc1O ZINC000851791514 637503598 /nfs/dbraw/zinc/50/35/98/637503598.db2.gz CYFLNPQFLRNITM-UHFFFAOYSA-N 0 0 274.339 3.339 20 10 CGCDRN COc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886491794 637540582 /nfs/dbraw/zinc/54/05/82/637540582.db2.gz RZZGSWAZVYFZQN-NSHDSACASA-N 0 0 275.323 3.391 20 10 CGCDRN C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1c([O-])cccc1F ZINC000886516802 637548973 /nfs/dbraw/zinc/54/89/73/637548973.db2.gz YUABHCHQDLUCDE-DTWKUNHWSA-N 0 0 295.276 3.149 20 10 CGCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1c([O-])cccc1F ZINC000886528328 637554255 /nfs/dbraw/zinc/55/42/55/637554255.db2.gz KHUHJFPZHSUKOE-SJCJKPOMSA-N 0 0 289.350 3.090 20 10 CGCDRN CC(C)n1ccc(CN[C@@H](C)c2c(O)cccc2F)n1 ZINC000886530499 637557093 /nfs/dbraw/zinc/55/70/93/637557093.db2.gz LNQIBCJGMYNFFZ-NSHDSACASA-N 0 0 277.343 3.160 20 10 CGCDRN CSC(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886535043 637560803 /nfs/dbraw/zinc/56/08/03/637560803.db2.gz TYZZWQVTGPWIEJ-SECBINFHSA-N 0 0 257.374 3.324 20 10 CGCDRN C[C@@H]([NH2+]CCC(F)(F)F)c1c([O-])cccc1F ZINC000886536200 637561541 /nfs/dbraw/zinc/56/15/41/637561541.db2.gz CPJAVTGPAMKNTM-SSDOTTSWSA-N 0 0 251.223 3.134 20 10 CGCDRN C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886548139 637573471 /nfs/dbraw/zinc/57/34/71/637573471.db2.gz XWKSKYNKICCJJX-HZMBPMFUSA-N 0 0 293.313 3.055 20 10 CGCDRN C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000886587581 637593781 /nfs/dbraw/zinc/59/37/81/637593781.db2.gz BGILCXFVTHGFEY-NEPJUHHUSA-N 0 0 267.344 3.141 20 10 CGCDRN Cc1nnc([C@H](C)N[C@@H](C)c2c(O)cccc2F)s1 ZINC000886589853 637595154 /nfs/dbraw/zinc/59/51/54/637595154.db2.gz HRFYQZYTEAUILE-YUMQZZPRSA-N 0 0 281.356 3.103 20 10 CGCDRN CCC(O)(CC)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886599373 637597750 /nfs/dbraw/zinc/59/77/50/637597750.db2.gz XNDBWLQFEBVFDK-LLVKDONJSA-N 0 0 269.360 3.123 20 10 CGCDRN CO[C@@H](CC[NH2+][C@@H](C)c1c([O-])cccc1F)C(F)(F)F ZINC000886596984 637598935 /nfs/dbraw/zinc/59/89/35/637598935.db2.gz STEAKZBNJVAYHV-KWQFWETISA-N 0 0 295.276 3.149 20 10 CGCDRN CCOC1CC(CC[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886599011 637599137 /nfs/dbraw/zinc/59/91/37/637599137.db2.gz PDQAICROBDABON-HIFPTAJRSA-N 0 0 281.371 3.387 20 10 CGCDRN Cc1cccc(CC[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886603458 637599893 /nfs/dbraw/zinc/59/98/93/637599893.db2.gz ORFCFWLPFPCHGH-GFCCVEGCSA-N 0 0 274.339 3.128 20 10 CGCDRN COc1cc2c(c(OC)c1)N(Cc1cncs1)CCC2 ZINC000852172428 637609805 /nfs/dbraw/zinc/60/98/05/637609805.db2.gz IJRNGNOSAYNORO-UHFFFAOYSA-N 0 0 290.388 3.113 20 10 CGCDRN CCC(C)(C)OCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886623513 637614646 /nfs/dbraw/zinc/61/46/46/637614646.db2.gz FWBQMNCGUKLTDO-LLVKDONJSA-N 0 0 269.360 3.387 20 10 CGCDRN C[C@H]([NH2+]CCCc1ccco1)c1c([O-])cccc1F ZINC000886640123 637624634 /nfs/dbraw/zinc/62/46/34/637624634.db2.gz SCOHZHURUBBKIB-NSHDSACASA-N 0 0 263.312 3.408 20 10 CGCDRN CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000852482105 637660985 /nfs/dbraw/zinc/66/09/85/637660985.db2.gz UEIIQJXKGBNTPP-LLVKDONJSA-N 0 0 294.395 3.025 20 10 CGCDRN CC[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(C)cc1O ZINC000886801881 637697995 /nfs/dbraw/zinc/69/79/95/637697995.db2.gz UQASAVSPNNSRHW-WCQYABFASA-N 0 0 291.313 3.055 20 10 CGCDRN CC[C@@H](C)N(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000853749418 637909030 /nfs/dbraw/zinc/90/90/30/637909030.db2.gz RSCAEMCJZNQPAH-CQSZACIVSA-N 0 0 291.439 3.391 20 10 CGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC3(CC3)C2)cc1 ZINC000854271879 638036200 /nfs/dbraw/zinc/03/62/00/638036200.db2.gz UASGFQJVTNEXMO-HNNXBMFYSA-N 0 0 286.419 3.339 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000854325129 638043300 /nfs/dbraw/zinc/04/33/00/638043300.db2.gz ZHJCQLOTVLZMAV-OIISXLGYSA-N 0 0 286.419 3.147 20 10 CGCDRN C[C@@H]1CCCC[C@@]1(C)NC(=O)C1=CC(=O)CS1 ZINC000854904724 638118703 /nfs/dbraw/zinc/11/87/03/638118703.db2.gz WWPFZVXHXCLNNN-NOZJJQNGSA-N 0 0 253.367 3.152 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)C)cc1 ZINC000010090755 638258818 /nfs/dbraw/zinc/25/88/18/638258818.db2.gz KGSURSFRRRKAKE-UHFFFAOYSA-N 0 0 256.349 3.232 20 10 CGCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000114544383 638375879 /nfs/dbraw/zinc/37/58/79/638375879.db2.gz ISIZHNLGHWRFNJ-CHWSQXEVSA-N 0 0 291.391 3.233 20 10 CGCDRN CCCC[C@H](C(=O)NCc1ccc(N)cc1)C(C)C ZINC000857097241 638457140 /nfs/dbraw/zinc/45/71/40/638457140.db2.gz LKDGPGWENFTYDN-HNNXBMFYSA-N 0 0 262.397 3.347 20 10 CGCDRN Cc1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547223 638516676 /nfs/dbraw/zinc/51/66/76/638516676.db2.gz VNEPWWXNCLOWPQ-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000858158646 638647296 /nfs/dbraw/zinc/64/72/96/638647296.db2.gz HHYAKEZPJZASRP-CVEARBPZSA-N 0 0 296.370 3.056 20 10 CGCDRN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000858445367 638721828 /nfs/dbraw/zinc/72/18/28/638721828.db2.gz HKNCMJXBGHOZHZ-GHMZBOCLSA-N 0 0 285.334 3.138 20 10 CGCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCC12CC2 ZINC000858452638 638723782 /nfs/dbraw/zinc/72/37/82/638723782.db2.gz NPCMLGFNVZUDQM-QGZVFWFLSA-N 0 0 298.430 3.483 20 10 CGCDRN CC[C@@H](Nc1cnc(OC)c(OC)c1)c1ccccc1O ZINC000858482689 638736621 /nfs/dbraw/zinc/73/66/21/638736621.db2.gz SPSUYKNJGWTJGE-CYBMUJFWSA-N 0 0 288.347 3.368 20 10 CGCDRN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000858529688 638756047 /nfs/dbraw/zinc/75/60/47/638756047.db2.gz NYUUCKXEDAYOJM-FDHIIDCNSA-N 0 0 285.334 3.133 20 10 CGCDRN C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000858543599 638758598 /nfs/dbraw/zinc/75/85/98/638758598.db2.gz MOWSWLYRDQRNCW-XHNCKOQMSA-N 0 0 290.190 3.121 20 10 CGCDRN C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1c([O-])cccc1F ZINC000927014539 638831630 /nfs/dbraw/zinc/83/16/30/638831630.db2.gz OHZGGUBSVMDVLX-ABAIWWIYSA-N 0 0 267.344 3.141 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1c([O-])cccc1F ZINC000927028288 638833732 /nfs/dbraw/zinc/83/37/32/638833732.db2.gz MCJLBFIEVQBEHB-OUAUKWLOSA-N 0 0 269.385 3.466 20 10 CGCDRN CCC[C@@H](C(=O)NCc1c(O)cccc1F)C(C)C ZINC000928706142 638889320 /nfs/dbraw/zinc/88/93/20/638889320.db2.gz RUMPVRKYINXENH-LLVKDONJSA-N 0 0 267.344 3.220 20 10 CGCDRN CCOc1ccc(N(C)Cc2cc(C)nnc2C)cc1 ZINC000929696383 638942310 /nfs/dbraw/zinc/94/23/10/638942310.db2.gz LXBLANUGXXSZAR-UHFFFAOYSA-N 0 0 271.364 3.129 20 10 CGCDRN COc1ccc(O)c(CNC(=O)OCC2CCCCC2)c1 ZINC000859008328 639058477 /nfs/dbraw/zinc/05/84/77/639058477.db2.gz KLMDLMMJKXNYCG-UHFFFAOYSA-N 0 0 293.363 3.207 20 10 CGCDRN C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000859698394 639193316 /nfs/dbraw/zinc/19/33/16/639193316.db2.gz VXIXTRKKGHEMLS-XQJDBVBESA-N 0 0 273.380 3.479 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C3CC3)ccn2)c1 ZINC000861135378 639521481 /nfs/dbraw/zinc/52/14/81/639521481.db2.gz SFDAGTAJAQZVJH-UHFFFAOYSA-N 0 0 297.358 3.295 20 10 CGCDRN C[C@@H]1CC/C(=C\C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862026862 639635161 /nfs/dbraw/zinc/63/51/61/639635161.db2.gz AZWZJOKBGDGXAV-GMCKNXKJSA-N 0 0 296.370 3.303 20 10 CGCDRN CCC/C(C)=C/C(=O)NCc1ccc2cccnc2c1O ZINC000862028158 639636260 /nfs/dbraw/zinc/63/62/60/639636260.db2.gz RNFMRDDFTYGKBH-ZRDIBKRKSA-N 0 0 284.359 3.303 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000934704977 639662777 /nfs/dbraw/zinc/66/27/77/639662777.db2.gz NYWNYLKCMFPTBQ-BTTYYORXSA-N 0 0 273.376 3.177 20 10 CGCDRN CCCc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000934939758 639720952 /nfs/dbraw/zinc/72/09/52/639720952.db2.gz VBDAIWRTBRWRHE-UHFFFAOYSA-N 0 0 299.370 3.023 20 10 CGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000041373974 639902587 /nfs/dbraw/zinc/90/25/87/639902587.db2.gz RQBNSZGSJAUGFL-UHFFFAOYSA-N 0 0 296.370 3.084 20 10 CGCDRN Cc1ccc2oc(C(=O)NCc3ccc(O)c(O)c3)cc2c1 ZINC000159106654 640030553 /nfs/dbraw/zinc/03/05/53/640030553.db2.gz ZVFKXIXFQLWCRV-UHFFFAOYSA-N 0 0 297.310 3.082 20 10 CGCDRN Cc1cncc(/C=C/C(=O)N2CCCc3ccccc32)c1 ZINC000159191354 640034941 /nfs/dbraw/zinc/03/49/41/640034941.db2.gz VMWVGHIXWGVGEH-CMDGGOBGSA-N 0 0 278.355 3.383 20 10 CGCDRN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C1CC1 ZINC000048392380 640051625 /nfs/dbraw/zinc/05/16/25/640051625.db2.gz PSLQBHXNFFPYEB-XFFZJAGNSA-N 0 0 279.361 3.189 20 10 CGCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccs1 ZINC000075159615 640122939 /nfs/dbraw/zinc/12/29/39/640122939.db2.gz XJCLOLNLNAVOFJ-UHFFFAOYSA-N 0 0 287.384 3.263 20 10 CGCDRN Cc1ccc(C)c(CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000076125881 640176596 /nfs/dbraw/zinc/17/65/96/640176596.db2.gz QKRYEFAOIFUKDC-UHFFFAOYSA-N 0 0 296.414 3.228 20 10 CGCDRN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3cocn3)S2)c1 ZINC000191220008 640295972 /nfs/dbraw/zinc/29/59/72/640295972.db2.gz UHIPXIGCWITHBU-MLPAPPSSSA-N 0 0 299.355 3.374 20 10 CGCDRN CCN(CC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000193412060 640456484 /nfs/dbraw/zinc/45/64/84/640456484.db2.gz OHCIGLYEOLEHIG-UHFFFAOYSA-N 0 0 277.412 3.084 20 10 CGCDRN CCCCS[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000080357002 640469676 /nfs/dbraw/zinc/46/96/76/640469676.db2.gz NFURQQKWSHMUBL-GFCCVEGCSA-N 0 0 281.421 3.272 20 10 CGCDRN CN1C(=O)/C(=C/c2sccc2Cl)SC1=S ZINC000195220215 640571710 /nfs/dbraw/zinc/57/17/10/640571710.db2.gz IFNRTESLQZEVKZ-DAXSKMNVSA-N 0 0 275.807 3.233 20 10 CGCDRN COC(=O)c1ccc(CN2CCc3cc(OC)ccc32)cc1 ZINC000195739552 640593863 /nfs/dbraw/zinc/59/38/63/640593863.db2.gz XKOGOJJOBGQBQN-UHFFFAOYSA-N 0 0 297.354 3.045 20 10 CGCDRN c1csc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000091015671 640698672 /nfs/dbraw/zinc/69/86/72/640698672.db2.gz VYACGGXEISFIOY-UHFFFAOYSA-N 0 0 259.378 3.355 20 10 CGCDRN C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000248517220 640765634 /nfs/dbraw/zinc/76/56/34/640765634.db2.gz PFVBSZQSNRYSFM-HZSPNIEDSA-N 0 0 294.414 3.302 20 10 CGCDRN COc1cc(Cl)cc2[nH]c(-c3ccc(O)c(O)c3)nc21 ZINC001250464841 805632374 /nfs/dbraw/zinc/63/23/74/805632374.db2.gz NXQNORWHIKPVSE-UHFFFAOYSA-N 0 0 290.706 3.303 20 10 CGCDRN COc1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001250531460 805679302 /nfs/dbraw/zinc/67/93/02/805679302.db2.gz QCGVVGNYWPEWFT-UHFFFAOYSA-N 0 0 266.344 3.384 20 10 CGCDRN Cc1cc(N(C)Cc2ccc(N(C)C)cc2)ncc1F ZINC001156923472 805752987 /nfs/dbraw/zinc/75/29/87/805752987.db2.gz DUWYSPHPYRSBHM-UHFFFAOYSA-N 0 0 273.355 3.232 20 10 CGCDRN COc1ccnc(Br)c1Nc1ccc(N)cc1 ZINC001159287481 806074739 /nfs/dbraw/zinc/07/47/39/806074739.db2.gz CBMSEOXPZQRWRK-UHFFFAOYSA-N 0 0 294.152 3.179 20 10 CGCDRN COC(=O)c1cc(Nc2ccc3c(c2)CCCN3)ccc1O ZINC001159528386 806117806 /nfs/dbraw/zinc/11/78/06/806117806.db2.gz OJYRYWGQZIJBOM-UHFFFAOYSA-N 0 0 298.342 3.281 20 10 CGCDRN CCC[C@@H](O)CNc1ccccc1OCC(F)(F)F ZINC001252793107 806117915 /nfs/dbraw/zinc/11/79/15/806117915.db2.gz IDGJZNGGZCGAFY-SNVBAGLBSA-N 0 0 277.286 3.201 20 10 CGCDRN COc1ncnc(NCc2cc3ccccc3cc2O)c1C ZINC001160207961 806234930 /nfs/dbraw/zinc/23/49/30/806234930.db2.gz YGIKBPKYBUGSKK-UHFFFAOYSA-N 0 0 295.342 3.265 20 10 CGCDRN CN(C)c1cncc(NCc2cc3ccccc3cc2O)n1 ZINC001160206674 806234937 /nfs/dbraw/zinc/23/49/37/806234937.db2.gz OOPPRBAPBHLXSE-UHFFFAOYSA-N 0 0 294.358 3.014 20 10 CGCDRN Cc1cccc(CNc2nccc(N3CCCCC3)n2)c1O ZINC001160769198 806300984 /nfs/dbraw/zinc/30/09/84/806300984.db2.gz AWHYPFXFUKTIFS-UHFFFAOYSA-N 0 0 298.390 3.093 20 10 CGCDRN CCSc1ccnc(NCc2ccc(N)cc2)c1 ZINC001162789662 806665512 /nfs/dbraw/zinc/66/55/12/806665512.db2.gz JVGJKXNHCFBHSX-UHFFFAOYSA-N 0 0 259.378 3.388 20 10 CGCDRN CCCC[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037322416 798866795 /nfs/dbraw/zinc/86/67/95/798866795.db2.gz BSJACXUEQFNNQV-UHFFFAOYSA-N 0 0 267.344 3.356 20 10 CGCDRN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000037322938 798866858 /nfs/dbraw/zinc/86/68/58/798866858.db2.gz NFMSEGYEUKUOPT-UHFFFAOYSA-N 0 0 267.756 3.233 20 10 CGCDRN CC[C@@H](C)NC(=O)[C@H](Sc1nccs1)C(C)C ZINC000133247706 799034236 /nfs/dbraw/zinc/03/42/36/799034236.db2.gz WDWVAHRFVRFVKC-NXEZZACHSA-N 0 0 272.439 3.175 20 10 CGCDRN COc1ccc(Cl)c(NC(=O)c2cccc(O)c2O)c1 ZINC000126347730 799007461 /nfs/dbraw/zinc/00/74/61/799007461.db2.gz GDOBNKFBJNOCBU-UHFFFAOYSA-N 0 0 293.706 3.012 20 10 CGCDRN Cc1ccc(Cl)cc1C(=O)NCc1ccccc1O ZINC000159529988 799074046 /nfs/dbraw/zinc/07/40/46/799074046.db2.gz MWZOCXZWIBXRRG-UHFFFAOYSA-N 0 0 275.735 3.284 20 10 CGCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCC2(C)C)cc1 ZINC000176405028 799096190 /nfs/dbraw/zinc/09/61/90/799096190.db2.gz NZFHVPUXWORFCY-HNNXBMFYSA-N 0 0 289.423 3.131 20 10 CGCDRN CCc1ccc(NC(=O)c2cccc(O)c2O)cc1C ZINC000383450277 799403334 /nfs/dbraw/zinc/40/33/34/799403334.db2.gz KTNSSFNLUXDVAT-UHFFFAOYSA-N 0 0 271.316 3.221 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCc2ccccc2C1 ZINC000383790365 799408872 /nfs/dbraw/zinc/40/88/72/799408872.db2.gz ZOFCMGQSLPILTM-INIZCTEOSA-N 0 0 295.382 3.156 20 10 CGCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccccc1O ZINC000387298019 799445892 /nfs/dbraw/zinc/44/58/92/799445892.db2.gz LTEVKMJMZWYLON-LBPRGKRZSA-N 0 0 297.358 3.095 20 10 CGCDRN CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000390782136 799474044 /nfs/dbraw/zinc/47/40/44/799474044.db2.gz KXIKILLZZCOSBT-BXKDBHETSA-N 0 0 284.197 3.433 20 10 CGCDRN O=c1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc[nH]1 ZINC000392772003 799483233 /nfs/dbraw/zinc/48/32/33/799483233.db2.gz WZMIOWXCMQPFNM-UHFFFAOYSA-N 0 0 299.157 3.089 20 10 CGCDRN CC[C@H](C)[C@H](C[NH2+][C@@H](CC)c1ccccc1O)OC ZINC000394461658 799497434 /nfs/dbraw/zinc/49/74/34/799497434.db2.gz VRYMYPYQLULXOZ-NOLJZWGESA-N 0 0 265.397 3.494 20 10 CGCDRN CN(C)c1ccc(CN[C@H]2CCCC2(F)F)cc1 ZINC000397997986 799524174 /nfs/dbraw/zinc/52/41/74/799524174.db2.gz CTDYIHWOFHSBQF-ZDUSSCGKSA-N 0 0 254.324 3.030 20 10 CGCDRN C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC000398094396 799525786 /nfs/dbraw/zinc/52/57/86/799525786.db2.gz ZVZVIVXFZWEYFD-GZMMTYOYSA-N 0 0 290.190 3.356 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1C ZINC000588403528 799688763 /nfs/dbraw/zinc/68/87/63/799688763.db2.gz NFPOWDZRDJISHD-BXNDVJSNSA-N 0 0 289.375 3.052 20 10 CGCDRN CC[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588407296 799689034 /nfs/dbraw/zinc/68/90/34/799689034.db2.gz UQFNBHVLZNHADX-XZPUFVBZSA-N 0 0 289.375 3.196 20 10 CGCDRN CC1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406213 799689314 /nfs/dbraw/zinc/68/93/14/799689314.db2.gz VLNBBVXXUPUYMU-CLFYSBASSA-N 0 0 289.375 3.054 20 10 CGCDRN CCSc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000588488948 799700740 /nfs/dbraw/zinc/70/07/40/799700740.db2.gz WCJOVZJNVXFDDM-JXMROGBWSA-N 0 0 281.427 3.287 20 10 CGCDRN CC(C)C(CNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C ZINC000588597947 799720658 /nfs/dbraw/zinc/72/06/58/799720658.db2.gz CCXISSLDXCBRIC-VURMDHGXSA-N 0 0 291.391 3.155 20 10 CGCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])O1 ZINC000688900844 799757837 /nfs/dbraw/zinc/75/78/37/799757837.db2.gz PRTSAIXMPNJZGZ-CMPLNLGQSA-N 0 0 269.772 3.093 20 10 CGCDRN CCc1cccc(CNc2cn(C)nc2C(C)C)c1O ZINC000691511260 799785354 /nfs/dbraw/zinc/78/53/54/799785354.db2.gz ZXYIYLKSOOORMF-UHFFFAOYSA-N 0 0 273.380 3.424 20 10 CGCDRN COCC[N@H+](CCF)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000697054349 799842589 /nfs/dbraw/zinc/84/25/89/799842589.db2.gz DWCGLQDGVQRVJL-UHFFFAOYSA-N 0 0 296.169 3.117 20 10 CGCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cscn1 ZINC000697915641 799851040 /nfs/dbraw/zinc/85/10/40/799851040.db2.gz DOQABWFNVKJRLQ-QMMMGPOBSA-N 0 0 268.769 3.353 20 10 CGCDRN CC[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708134735 799983715 /nfs/dbraw/zinc/98/37/15/799983715.db2.gz UAPAVEUIJZMDRK-UHFFFAOYSA-N 0 0 278.577 3.260 20 10 CGCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000708382651 799986758 /nfs/dbraw/zinc/98/67/58/799986758.db2.gz GNTVWRJDQIUIIU-YGRLFVJLSA-N 0 0 267.319 3.435 20 10 CGCDRN CCC[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000708466045 799987929 /nfs/dbraw/zinc/98/79/29/799987929.db2.gz DMFCKZNQGWRVIO-LBPRGKRZSA-N 0 0 261.369 3.313 20 10 CGCDRN Cc1ccc(Br)c(Nc2ccc(N)cc2)n1 ZINC000712350205 800084393 /nfs/dbraw/zinc/08/43/93/800084393.db2.gz BJXISRQLPLFQNQ-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715718476 800145268 /nfs/dbraw/zinc/14/52/68/800145268.db2.gz NVRLCQULVYVCTE-HQJQHLMTSA-N 0 0 288.160 3.182 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722318074 800313674 /nfs/dbraw/zinc/31/36/74/800313674.db2.gz CAFUHOMCLNJMBP-OCCSQVGLSA-N 0 0 281.783 3.093 20 10 CGCDRN C/C=C/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014379 800385012 /nfs/dbraw/zinc/38/50/12/800385012.db2.gz IGHDYMPMZWBRKX-IMEDYANOSA-N 0 0 258.365 3.062 20 10 CGCDRN Cc1cc(CN2CCO[C@H](CF)C2)c(O)c(C(C)(C)C)c1 ZINC000840171874 800496371 /nfs/dbraw/zinc/49/63/71/800496371.db2.gz QKAGGQITDRIKGM-CQSZACIVSA-N 0 0 295.398 3.168 20 10 CGCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000850379324 800517115 /nfs/dbraw/zinc/51/71/15/800517115.db2.gz LAVGVWGTIGMQRD-NXEZZACHSA-N 0 0 287.762 3.232 20 10 CGCDRN C[C@@H](Nc1ccc(C(F)(F)F)nn1)c1ccccc1O ZINC001163935614 806854574 /nfs/dbraw/zinc/85/45/74/806854574.db2.gz ACDSKILSKFLIFB-MRVPVSSYSA-N 0 0 283.253 3.374 20 10 CGCDRN C[C@H](Nc1ncnc(-c2ccccc2)n1)c1ccccc1O ZINC001163936201 806854803 /nfs/dbraw/zinc/85/48/03/806854803.db2.gz ZCCSIWKEFWOKNO-LBPRGKRZSA-N 0 0 292.342 3.417 20 10 CGCDRN CCCCCCc1nnc(-c2cccc(O)c2O)o1 ZINC001256317911 806859659 /nfs/dbraw/zinc/85/96/59/806859659.db2.gz KATQIDUCPZNXIP-UHFFFAOYSA-N 0 0 262.309 3.271 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@H](C)c1cc(F)cc(F)c1O ZINC001116588663 802382903 /nfs/dbraw/zinc/38/29/03/802382903.db2.gz JPSPOOADRQNRFS-SSDOTTSWSA-N 0 0 281.306 3.194 20 10 CGCDRN CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1ccc(F)cc1[O-] ZINC001117114008 802434011 /nfs/dbraw/zinc/43/40/11/802434011.db2.gz ZJWQLWXAAQVUBZ-OBJOEFQTSA-N 0 0 267.344 3.140 20 10 CGCDRN C[C@@H]1Cc2ccccc2N(C(=O)C2=CC(=O)CS2)C1 ZINC001118577599 802586070 /nfs/dbraw/zinc/58/60/70/802586070.db2.gz RGWNCAQSBWHMJH-SNVBAGLBSA-N 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CGCDRN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684383 804251246 /nfs/dbraw/zinc/25/12/46/804251246.db2.gz IGMGJWUIJFDMDZ-AOOOYVTPSA-N 0 0 255.308 3.433 20 10 CGCDRN C[C@H]1C(=O)CC[N@H+](Cc2cc(F)ccc2O)C12CCCC2 ZINC001140056311 804362955 /nfs/dbraw/zinc/36/29/55/804362955.db2.gz QPQRGDXLTUYZKN-LBPRGKRZSA-N 0 0 291.366 3.255 20 10 CGCDRN CC(=O)c1ccc2c(c1)CN(Cc1cc(F)ccc1O)CC2 ZINC001140058955 804364348 /nfs/dbraw/zinc/36/43/48/804364348.db2.gz QUPKRINXHAEQFZ-UHFFFAOYSA-N 0 0 299.345 3.292 20 10 CGCDRN Cc1ccc(C)c(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC001140183712 804396923 /nfs/dbraw/zinc/39/69/23/804396923.db2.gz ICYVMFACKGQBMF-ZDUSSCGKSA-N 0 0 293.407 3.171 20 10 CGCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001140461635 804441414 /nfs/dbraw/zinc/44/14/14/804441414.db2.gz OHBAYNHZFUYPHF-GFCCVEGCSA-N 0 0 257.736 3.370 20 10 CGCDRN CC(C)[N@H+](Cc1ccc(Cl)cc1[O-])C1CCN(C)CC1 ZINC001140464652 804442010 /nfs/dbraw/zinc/44/20/10/804442010.db2.gz YTYASAFUIMZMFA-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/13/44/75/814134475.db2.gz LQXGSTXJNCGYHC-UHFFFAOYSA-N 0 0 260.268 3.079 20 10 CGCDRN CN(C)c1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209766912 814134791 /nfs/dbraw/zinc/13/47/91/814134791.db2.gz YABPEARDLYJVDR-UHFFFAOYSA-N 0 0 269.348 3.301 20 10 CGCDRN c1cc2c(c(Nc3ccc4c(c3)OCCN4)c1)COC2 ZINC001209789379 814140712 /nfs/dbraw/zinc/14/07/12/814140712.db2.gz YEHNBFRNSSPYJD-UHFFFAOYSA-N 0 0 268.316 3.265 20 10 CGCDRN COc1cc(F)cc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209789241 814140798 /nfs/dbraw/zinc/14/07/98/814140798.db2.gz WQYIJVPZZKKJSZ-UHFFFAOYSA-N 0 0 274.295 3.382 20 10 CGCDRN Cn1ccc2ncc(-c3ccccc3-n3cccn3)cc21 ZINC001242711178 823108553 /nfs/dbraw/zinc/10/85/53/823108553.db2.gz BONVSRBQZFARCF-UHFFFAOYSA-N 0 0 274.327 3.426 20 10 CGCDRN Oc1cccc(Nc2ccc(OC(F)F)cc2)c1O ZINC001210328138 814408776 /nfs/dbraw/zinc/40/87/76/814408776.db2.gz ZLGPUCBGYNAVBZ-UHFFFAOYSA-N 0 0 267.231 3.443 20 10 CGCDRN CCc1cc(OC)ccc1Nc1cccc(O)c1O ZINC001210716611 814595910 /nfs/dbraw/zinc/59/59/10/814595910.db2.gz 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818584961 /nfs/dbraw/zinc/58/49/61/818584961.db2.gz KGKRJAAMDYSXKP-NSHDSACASA-N 0 0 296.342 3.464 20 10 CGCDRN COC[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415816 818613226 /nfs/dbraw/zinc/61/32/26/818613226.db2.gz JDVDHPQYDZSVGM-NSHDSACASA-N 0 0 289.297 3.022 20 10 CGCDRN CN(Cc1cccc(C(F)(F)F)c1O)CC(F)(F)F ZINC001233416023 818615130 /nfs/dbraw/zinc/61/51/30/818615130.db2.gz SQNZKCDWCRLVFO-UHFFFAOYSA-N 0 0 287.203 3.405 20 10 CGCDRN CCN1CCc2cc(O[C@@H]3CCO[C@@H](C)C3)ccc21 ZINC001233602406 818656016 /nfs/dbraw/zinc/65/60/16/818656016.db2.gz SSHNKJGYYQGKJW-SWLSCSKDSA-N 0 0 261.365 3.015 20 10 CGCDRN Cc1cccc([C@H](C)Oc2nc[nH]c3cc(=O)c(O)cc2-3)c1 ZINC001233949014 818737551 /nfs/dbraw/zinc/73/75/51/818737551.db2.gz STVIWZMHYWVILS-NSHDSACASA-N 0 0 296.326 3.489 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C(C)C)C(F)(F)F ZINC001234474011 818862561 /nfs/dbraw/zinc/86/25/61/818862561.db2.gz MWWNPMKHXXRSEO-GFCCVEGCSA-N 0 0 292.253 3.266 20 10 CGCDRN CCCC[C@@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234474413 818862652 /nfs/dbraw/zinc/86/26/52/818862652.db2.gz SCZQHCCWGXWUSY-SECBINFHSA-N 0 0 252.310 3.258 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ccc(C)nc1 ZINC001234473656 818862666 /nfs/dbraw/zinc/86/26/66/818862666.db2.gz JRCGOACGWQKGPR-NSHDSACASA-N 0 0 287.315 3.144 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1OC1CCC(C)CC1 ZINC001234473390 818863173 /nfs/dbraw/zinc/86/31/73/818863173.db2.gz FWBRDLWJIBXYBH-UHFFFAOYSA-N 0 0 264.321 3.258 20 10 CGCDRN CC(C)(C)c1ccc(CN2CCCC(=O)[C@@H](F)C2)c(O)c1 ZINC001235674509 819134819 /nfs/dbraw/zinc/13/48/19/819134819.db2.gz GPBKZAPOYWZORX-AWEZNQCLSA-N 0 0 293.382 3.193 20 10 CGCDRN CC(C)(C)c1ccc(CN2CC(F)(F)C2)c(O)c1 ZINC001235676301 819137172 /nfs/dbraw/zinc/13/71/72/819137172.db2.gz PRWOLYVXWFJIIF-UHFFFAOYSA-N 0 0 255.308 3.141 20 10 CGCDRN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(O)c1 ZINC001235680234 819140630 /nfs/dbraw/zinc/14/06/30/819140630.db2.gz TXURHYQUPZJECC-SFHVURJKSA-N 0 0 289.419 3.445 20 10 CGCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001236789372 819595243 /nfs/dbraw/zinc/59/52/43/819595243.db2.gz FLNMFOJFKDZKQP-OCAPTIKFSA-N 0 0 258.148 3.151 20 10 CGCDRN CCN1CC[N@H+](Cc2cc3ccccc3cc2O)[C@H](C)C1 ZINC001236836183 819614575 /nfs/dbraw/zinc/61/45/75/819614575.db2.gz ZDDHBDQTILCHLR-CQSZACIVSA-N 0 0 284.403 3.071 20 10 CGCDRN CCCCOC1CN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127197 819673991 /nfs/dbraw/zinc/67/39/91/819673991.db2.gz WDVMTTVGZUKPPT-UHFFFAOYSA-N 0 0 287.762 3.186 20 10 CGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC(F)(F)C1 ZINC001237616070 819787350 /nfs/dbraw/zinc/78/73/50/819787350.db2.gz CWZSBUVXNPGPIS-UHFFFAOYSA-N 0 0 279.689 3.414 20 10 CGCDRN C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804428 819845842 /nfs/dbraw/zinc/84/58/42/819845842.db2.gz DLTJGBMGXOYFLE-KWQFWETISA-N 0 0 275.726 3.365 20 10 CGCDRN Cn1ccc2c1ccnc2-c1cnn(C(C)(C)C)c1 ZINC001243560547 823444717 /nfs/dbraw/zinc/44/47/17/823444717.db2.gz XJDASYLYFICUIK-UHFFFAOYSA-N 0 0 254.337 3.192 20 10 CGCDRN Cc1cnc(C)c(-c2ccn(CC(C)C)c(=O)c2)c1 ZINC001239905443 820692670 /nfs/dbraw/zinc/69/26/70/820692670.db2.gz ITXFBADBLZVTIJ-UHFFFAOYSA-N 0 0 256.349 3.183 20 10 CGCDRN Cc1n[nH]c(C)c1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001240127765 820837203 /nfs/dbraw/zinc/83/72/03/820837203.db2.gz UXFSRINZRDKVMI-UHFFFAOYSA-N 0 0 297.333 3.043 20 10 CGCDRN Cc1nc2cccnc2c(-c2ccc3ccn(C)c3c2)n1 ZINC001240570675 821157320 /nfs/dbraw/zinc/15/73/20/821157320.db2.gz BFKSWHITUXZKBY-UHFFFAOYSA-N 0 0 274.327 3.492 20 10 CGCDRN Cn1ccc2ccc(-c3cccc4c3NC(=O)NC4)cc21 ZINC001240576028 821162407 /nfs/dbraw/zinc/16/24/07/821162407.db2.gz LFHRXOCXCLMLAS-UHFFFAOYSA-N 0 0 277.327 3.480 20 10 CGCDRN Cn1ccc2ccc(-c3cnn([C@H]4CCOC4)c3)cc21 ZINC001240636166 821205371 /nfs/dbraw/zinc/20/53/71/821205371.db2.gz AQHYWTVLYRSPNH-HNNXBMFYSA-N 0 0 267.332 3.003 20 10 CGCDRN CCn1cc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001240649362 821217615 /nfs/dbraw/zinc/21/76/15/821217615.db2.gz LDHRIFGASBZWHG-UHFFFAOYSA-N 0 0 291.358 3.054 20 10 CGCDRN Cc1ccnc2c(-c3ccn(C)c(=O)c3)ccc(C)c12 ZINC001240989328 821471905 /nfs/dbraw/zinc/47/19/05/821471905.db2.gz ZMJUDTOFMSZUGR-UHFFFAOYSA-N 0 0 264.328 3.217 20 10 CGCDRN Nc1ccccc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001241075681 821543165 /nfs/dbraw/zinc/54/31/65/821543165.db2.gz SDSNBTPZLYENBN-UHFFFAOYSA-N 0 0 276.339 3.146 20 10 CGCDRN CC(C)Cn1cc(-c2cccc3c2ccn3C)cnc1=O ZINC001241824120 822165373 /nfs/dbraw/zinc/16/53/73/822165373.db2.gz KDVWHYCVSSRIGZ-UHFFFAOYSA-N 0 0 281.359 3.058 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC001338794052 936333161 /nfs/dbraw/zinc/33/31/61/936333161.db2.gz XGUISEWZJOGHMN-GOSISDBHSA-N 0 0 299.418 3.301 20 10 CGCDRN Nc1ccc(CNC(=O)N2CCC[C@H]2C2CCCC2)cc1 ZINC001346739857 936859431 /nfs/dbraw/zinc/85/94/31/936859431.db2.gz VBRFUNXLLKZEOD-INIZCTEOSA-N 0 0 287.407 3.133 20 10 CGCDRN C[C@@H]1CCc2nc(CNc3ccc(N)cc3)sc2C1 ZINC001348514108 936924576 /nfs/dbraw/zinc/92/45/76/936924576.db2.gz AFYOGMJSIYYIGV-SNVBAGLBSA-N 0 0 273.405 3.462 20 10 CGCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)C1(C)CC1 ZINC001351603183 937020620 /nfs/dbraw/zinc/02/06/20/937020620.db2.gz YVNSFCBLIBLDEZ-VIFPVBQESA-N 0 0 282.771 3.033 20 10 CGCDRN COc1ccc(N(C)C[C@H](OC)C2CCCC2)c(OC)c1 ZINC001473295064 937176448 /nfs/dbraw/zinc/17/64/48/937176448.db2.gz XHJGQFLXRVGZEW-KRWDZBQOSA-N 0 0 293.407 3.345 20 10 CGCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])ccn1 ZINC001461517993 928756043 /nfs/dbraw/zinc/75/60/43/928756043.db2.gz BGGUZZVWFBMCMV-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1noc2ccccc12 ZINC001462572379 928793198 /nfs/dbraw/zinc/79/31/98/928793198.db2.gz HIIIAUJFJLAJKT-UHFFFAOYSA-N 0 0 288.734 3.477 20 10 CGCDRN C[C@@H](NCc1cocn1)c1ccc2ccccc2c1O ZINC000397801953 928806109 /nfs/dbraw/zinc/80/61/09/928806109.db2.gz CBKFZBKBHRVGOC-LLVKDONJSA-N 0 0 268.316 3.384 20 10 CGCDRN CCc1ccc(F)cc1C(=O)N(C)Cc1ccccc1O ZINC001445643920 937358577 /nfs/dbraw/zinc/35/85/77/937358577.db2.gz FJYXFSKROXYUEE-UHFFFAOYSA-N 0 0 287.334 3.366 20 10 CGCDRN CCCCCC(C)(C)C(=O)NCc1cc(O)ccc1O ZINC001455355950 937417421 /nfs/dbraw/zinc/41/74/21/937417421.db2.gz FLVBWZOZVIGPGY-UHFFFAOYSA-N 0 0 279.380 3.321 20 10 CGCDRN O=C(NCc1c(O)cccc1O)c1cccc(C2CCC2)c1 ZINC001456232886 937427380 /nfs/dbraw/zinc/42/73/80/937427380.db2.gz CKAFVFOYDPRGAS-UHFFFAOYSA-N 0 0 297.354 3.295 20 10 CGCDRN CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001456233116 937428010 /nfs/dbraw/zinc/42/80/10/937428010.db2.gz DRGKNHPHIWZDDR-QGZVFWFLSA-N 0 0 299.370 3.154 20 10 CGCDRN CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001461880593 937603892 /nfs/dbraw/zinc/60/38/92/937603892.db2.gz KATBCSVIPPUXFD-GDBMZVCRSA-N 0 0 299.361 3.306 20 10 CGCDRN CC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1C ZINC001462128765 937619684 /nfs/dbraw/zinc/61/96/84/937619684.db2.gz VCARGDBMEOGGAB-NXEZZACHSA-N 0 0 255.308 3.291 20 10 CGCDRN COCC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CC[C@H](C)C1 ZINC001462173294 937622634 /nfs/dbraw/zinc/62/26/34/937622634.db2.gz BOIDWXYUPZKUSI-FZMZJTMJSA-N 0 0 299.361 3.307 20 10 CGCDRN O=[N+]([O-])c1cccnc1Sc1ncc(Cl)s1 ZINC001307177770 932775342 /nfs/dbraw/zinc/77/53/42/932775342.db2.gz YXMUPXWLCFGXAT-UHFFFAOYSA-N 0 0 273.726 3.251 20 10 CGCDRN O=C(CSC1CC1)NCc1c(O)ccc2ccccc21 ZINC001304090441 932842414 /nfs/dbraw/zinc/84/24/14/932842414.db2.gz ICKYLDLSFXCPKF-UHFFFAOYSA-N 0 0 287.384 3.057 20 10 CGCDRN Cn1cc([N+](=O)[O-])c(Sc2ncc(C(C)(C)C)s2)n1 ZINC001306997166 932907075 /nfs/dbraw/zinc/90/70/75/932907075.db2.gz AMGDTZAMFZXJAR-UHFFFAOYSA-N 0 0 298.393 3.234 20 10 CGCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1C[C@]12CCOC2 ZINC001307592337 932973070 /nfs/dbraw/zinc/97/30/70/932973070.db2.gz ZNMYZXYKXQSGHB-YJBOKZPZSA-N 0 0 287.403 3.265 20 10 CGCDRN CN(C)c1ccc(CN2C[C@@H](F)C[C@H]2C(F)(F)F)cc1 ZINC001308167054 933063994 /nfs/dbraw/zinc/06/39/94/933063994.db2.gz QZENZHODXUFZQH-AAEUAGOBSA-N 0 0 290.304 3.227 20 10 CGCDRN CCOC(=O)CN(Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001308560766 933132619 /nfs/dbraw/zinc/13/26/19/933132619.db2.gz RPUQWILPSCUKTJ-UHFFFAOYSA-N 0 0 291.391 3.043 20 10 CGCDRN C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1F ZINC001308947282 933210406 /nfs/dbraw/zinc/21/04/06/933210406.db2.gz BQUUXXBKLVNJND-NEPJUHHUSA-N 0 0 251.345 3.447 20 10 CGCDRN Cc1cc([C@@H](C)NC(=O)NCc2ccccc2O)c(C)o1 ZINC001318309743 933709376 /nfs/dbraw/zinc/70/93/76/933709376.db2.gz ZSVYTVSITKUDNQ-LLVKDONJSA-N 0 0 288.347 3.162 20 10 CGCDRN CCc1[nH]nc(NCc2ccc(N3CCCC3)cc2)c1C ZINC001319953498 933965222 /nfs/dbraw/zinc/96/52/22/933965222.db2.gz BLFVUJKZLFFORN-UHFFFAOYSA-N 0 0 284.407 3.493 20 10 CGCDRN O=C(Nc1cnc2c(F)cccc2c1)c1cccc(O)c1O ZINC001469930001 937745671 /nfs/dbraw/zinc/74/56/71/937745671.db2.gz YNXQRBCONZBRHK-UHFFFAOYSA-N 0 0 298.273 3.037 20 10 CGCDRN C/C(=C/C(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC001470254041 937750128 /nfs/dbraw/zinc/75/01/28/937750128.db2.gz DVIQRTGLZUKGNT-XFXZXTDPSA-N 0 0 271.316 3.013 20 10 CGCDRN Cc1cc(N(C)Cc2ccc(N3CCCC3)cc2)ncn1 ZINC001472649379 937779273 /nfs/dbraw/zinc/77/92/73/937779273.db2.gz ZLUSOZVSKZROQM-UHFFFAOYSA-N 0 0 282.391 3.022 20 10 CGCDRN Cc1cnc(NCc2cc(Cl)ccc2O)c([N+](=O)[O-])c1 ZINC001472825610 937785889 /nfs/dbraw/zinc/78/58/89/937785889.db2.gz PLRYJLHJPOMUEP-UHFFFAOYSA-N 0 0 293.710 3.269 20 10 CGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC001331342458 935371502 /nfs/dbraw/zinc/37/15/02/935371502.db2.gz CFXWUWZIVFSBRL-LBPRGKRZSA-N 0 0 288.391 3.386 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1c(O)cccc1F ZINC001333466618 935537713 /nfs/dbraw/zinc/53/77/13/935537713.db2.gz MCGBSQWLGJOOGZ-QMMMGPOBSA-N 0 0 263.316 3.055 20 10 CGCDRN Nc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC001334775361 936112945 /nfs/dbraw/zinc/11/29/45/936112945.db2.gz XUIXBOMWHLCDOD-KRWDZBQOSA-N 0 0 270.351 3.340 20 10 CGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC001337019800 936232666 /nfs/dbraw/zinc/23/26/66/936232666.db2.gz VOFPTNKVNWJLKA-DYVFJYSZSA-N 0 0 295.386 3.171 20 10 CGCDRN COc1ccc2c(c1)CCCN2C[C@@](C)(OC)C1CC1 ZINC001474428445 937859258 /nfs/dbraw/zinc/85/92/58/937859258.db2.gz FKHARALWFMIHMJ-QGZVFWFLSA-N 0 0 275.392 3.263 20 10 CGCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC001474730186 937877658 /nfs/dbraw/zinc/87/76/58/937877658.db2.gz PPVYGIOPENSJQA-OAHLLOKOSA-N 0 0 297.345 3.252 20 10 CGCDRN CC(C)CCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC001477978302 937900464 /nfs/dbraw/zinc/90/04/64/937900464.db2.gz ZXOJIGZPTADUOJ-UHFFFAOYSA-N 0 0 276.380 3.244 20 10 CGCDRN CC1(C)CCC[C@H]1CCNC(=O)NCc1ccccc1O ZINC001479019212 937915179 /nfs/dbraw/zinc/91/51/79/937915179.db2.gz ZCNIDTGLMLYRPO-AWEZNQCLSA-N 0 0 290.407 3.408 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cccn1CC ZINC001519802142 938021077 /nfs/dbraw/zinc/02/10/77/938021077.db2.gz CMRUUYNESSSATN-UHFFFAOYSA-N 0 0 286.375 3.266 20 10 CGCDRN CC(C)[C@@H](F)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001523552754 938040206 /nfs/dbraw/zinc/04/02/06/938040206.db2.gz BIUJQSXDZFHNHJ-MRXNPFEDSA-N 0 0 292.398 3.239 20 10 CGCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccsc1 ZINC001527333975 938060994 /nfs/dbraw/zinc/06/09/94/938060994.db2.gz RLDLGAFCNCCXOV-ONEGZZNKSA-N 0 0 264.375 3.189 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccon2)cc1 ZINC001530330840 938077146 /nfs/dbraw/zinc/07/71/46/938077146.db2.gz LXDHCTNFAVIXQT-UHFFFAOYSA-N 0 0 295.342 3.359 20 10 CGCDRN C/C(=C\C(=O)NCc1ccc(O)cc1O)c1ccccc1C ZINC001557084487 938207830 /nfs/dbraw/zinc/20/78/30/938207830.db2.gz BBVHOMLFQMPBLA-UKTHLTGXSA-N 0 0 297.354 3.126 20 10 CGCDRN Cc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001560335875 938253464 /nfs/dbraw/zinc/25/34/64/938253464.db2.gz WCNFAJCREXFNHI-UHFFFAOYSA-N 0 0 277.314 3.311 20 10 CGCDRN Cc1ccnc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC001560574999 938263598 /nfs/dbraw/zinc/26/35/98/938263598.db2.gz VQFAKKICTTXMPE-UHFFFAOYSA-N 0 0 280.730 3.178 20 10 CGCDRN CC(C)C[C@@H]1COCCN1Cc1ccc(Cl)cc1O ZINC001560697914 938270929 /nfs/dbraw/zinc/27/09/29/938270929.db2.gz UEURXWIOWNCAOH-CQSZACIVSA-N 0 0 283.799 3.293 20 10 CGCDRN Cc1cc(NCc2ccc(Cl)cc2O)ccc1C(N)=O ZINC001560794194 938276328 /nfs/dbraw/zinc/27/63/28/938276328.db2.gz MNOGXXAOGBQJOC-UHFFFAOYSA-N 0 0 290.750 3.065 20 10 CGCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC001563851719 938305529 /nfs/dbraw/zinc/30/55/29/938305529.db2.gz ANGIQVBCMYSITJ-VXGBXAGGSA-N 0 0 294.370 3.157 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC001564112657 938307787 /nfs/dbraw/zinc/30/77/87/938307787.db2.gz QSBIBFLOCXBDIG-NHAGDIPZSA-N 0 0 290.407 3.325 20 10 CGCDRN CCc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C)c2)c1O ZINC001593641911 953649746 /nfs/dbraw/zinc/64/97/46/953649746.db2.gz ACSMYJSCPHVOSH-MRXNPFEDSA-N 0 0 299.370 3.179 20 10 CGCDRN CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC001603106672 972180054 /nfs/dbraw/zinc/18/00/54/972180054.db2.gz BOHPPBSEJVXLMB-LRDDRELGSA-N 0 0 291.391 3.201 20 10 CGCDRN Cc1cc(C)c([C@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)c(O)c1 ZINC001594292419 957835754 /nfs/dbraw/zinc/83/57/54/957835754.db2.gz JBPMENYHKRJEOI-HSBZDZAISA-N 0 0 291.391 3.303 20 10 CGCDRN Cc1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001594361448 958452238 /nfs/dbraw/zinc/45/22/38/958452238.db2.gz PUOIXXOUYDKNQG-HOTGVXAUSA-N 0 0 297.354 3.103 20 10 CGCDRN Cc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001594361453 958452956 /nfs/dbraw/zinc/45/29/56/958452956.db2.gz PUOIXXOUYDKNQG-HZPDHXFCSA-N 0 0 297.354 3.103 20 10 CGCDRN COc1ccc(N(C)Cc2ccc(C)c(OC)n2)cc1 ZINC001462410169 958814958 /nfs/dbraw/zinc/81/49/58/958814958.db2.gz IVADUABXZBQLFY-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN Cc1nc(Br)ccc1Nc1ccc(N)cc1 ZINC001159175822 958834430 /nfs/dbraw/zinc/83/44/30/958834430.db2.gz GBAZLZQHUSNLLU-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C[C@H]1C ZINC001564538429 960660311 /nfs/dbraw/zinc/66/03/11/960660311.db2.gz GQBYWHYRWAXQAA-IJLUTSLNSA-N 0 0 294.370 3.155 20 10 CGCDRN C[C@]1(c2ccccc2)C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001576561350 962468880 /nfs/dbraw/zinc/46/88/80/962468880.db2.gz KLLWIPUKLOJKDD-GOSISDBHSA-N 0 0 282.387 3.016 20 10 CGCDRN CN(C(=O)CCc1ccc(F)cc1F)c1ccc(N)cc1 ZINC001578376546 962583809 /nfs/dbraw/zinc/58/38/09/962583809.db2.gz NAUPGMMMHGLHQN-UHFFFAOYSA-N 0 0 290.313 3.143 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC[C@H]1c1ccc(F)cc1 ZINC001583992586 962879731 /nfs/dbraw/zinc/87/97/31/962879731.db2.gz MTNVSBWJBADZFO-LBPRGKRZSA-N 0 0 277.320 3.180 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2cncc3ccccc32)c1 ZINC001584983922 962973255 /nfs/dbraw/zinc/97/32/55/962973255.db2.gz VHPOWFKLVKYTNQ-UHFFFAOYSA-N 0 0 292.338 3.179 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)c2ccc3scnc3c2)c1 ZINC001584983242 962974048 /nfs/dbraw/zinc/97/40/48/962974048.db2.gz FYYCVBSZXQKKQC-UHFFFAOYSA-N 0 0 298.367 3.240 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1ccccc1O ZINC001589570744 964000045 /nfs/dbraw/zinc/00/00/45/964000045.db2.gz SRWGFMVICKHHCV-OAHLLOKOSA-N 0 0 285.343 3.331 20 10 CGCDRN CCc1cccc(C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)c1O ZINC001603975059 974463189 /nfs/dbraw/zinc/46/31/89/974463189.db2.gz CECUZINYKJRRKE-SFHVURJKSA-N 0 0 299.370 3.044 20 10 CGCDRN CCC(CC)(C[NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)[O-] ZINC001595077854 979356862 /nfs/dbraw/zinc/35/68/62/979356862.db2.gz QUQPHQOFVIZXLI-JTQLQIEISA-N 0 0 283.343 3.073 20 10 CGCDRN CCc1oc(C(=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1O ZINC001597767680 989225007 /nfs/dbraw/zinc/22/50/07/989225007.db2.gz RPROILMDIYSXNP-JTQLQIEISA-N 0 0 289.331 3.097 20 10 CGCDRN C[C@H]([NH2+]CC1CC(C)(C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593251383 994494146 /nfs/dbraw/zinc/49/41/46/994494146.db2.gz DNMVMUMVSAZCKN-JTQLQIEISA-N 0 0 277.364 3.177 20 10 CGCDRN CN(C)c1ccc(CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000007187656 344867168 /nfs/dbraw/zinc/86/71/68/344867168.db2.gz KEQVEZAVLWYYPT-UHFFFAOYSA-N 0 0 285.347 3.297 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)C ZINC000052851227 345108327 /nfs/dbraw/zinc/10/83/27/345108327.db2.gz PLFXXDISEIDUCU-UHFFFAOYSA-N 0 0 262.397 3.147 20 10 CGCDRN O=[N+]([O-])c1cc(F)ccc1Sc1nccs1 ZINC000064916008 345266554 /nfs/dbraw/zinc/26/65/54/345266554.db2.gz GRUOOSLXRLXAGL-UHFFFAOYSA-N 0 0 256.283 3.342 20 10 CGCDRN C[C@H]([NH2+]C1CCSCC1)c1ccc(F)c(F)c1[O-] ZINC000187775144 299273814 /nfs/dbraw/zinc/27/38/14/299273814.db2.gz IFLHAEIGQPRJBB-QMMMGPOBSA-N 0 0 273.348 3.217 20 10 CGCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCCO1 ZINC000124570226 370926319 /nfs/dbraw/zinc/92/63/19/370926319.db2.gz WQOPDHNLOCMPBL-GFCCVEGCSA-N 0 0 269.772 3.047 20 10 CGCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1cccnc1C ZINC000493298710 244137764 /nfs/dbraw/zinc/13/77/64/244137764.db2.gz ZKKIDRWJCDBAFZ-BQYQJAHWSA-N 0 0 287.388 3.221 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1cccnc1C ZINC000493363114 244148823 /nfs/dbraw/zinc/14/88/23/244148823.db2.gz YPASKBPHDWQZMV-MDZDMXLPSA-N 0 0 281.359 3.160 20 10 CGCDRN Cc1cccc2c1N(C(=O)/C=C/c1cncs1)CC2 ZINC000493556859 244186902 /nfs/dbraw/zinc/18/69/02/244186902.db2.gz NTGQFAAOUVRAII-AATRIKPKSA-N 0 0 270.357 3.054 20 10 CGCDRN COc1cncc(COc2ccc(N3CCCC3)cc2)c1 ZINC000288530343 371739045 /nfs/dbraw/zinc/73/90/45/371739045.db2.gz HJWNKVQYUKUFCH-UHFFFAOYSA-N 0 0 284.359 3.269 20 10 CGCDRN CCCOc1ccc(CN[C@@H](C)C(F)(F)F)c(O)c1 ZINC000288339078 371735253 /nfs/dbraw/zinc/73/52/53/371735253.db2.gz BEMXHJYEROHZHW-VIFPVBQESA-N 0 0 277.286 3.221 20 10 CGCDRN COc1ccc(O)c(CNc2ccc(F)c([C@@H](C)O)c2)c1 ZINC000289183977 371752846 /nfs/dbraw/zinc/75/28/46/371752846.db2.gz AKBJMHNRFGCPEM-SNVBAGLBSA-N 0 0 291.322 3.205 20 10 CGCDRN CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000293563060 372411225 /nfs/dbraw/zinc/41/12/25/372411225.db2.gz ARBIPIFSPRAYJL-QMMMGPOBSA-N 0 0 296.317 3.380 20 10 CGCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c(O)c1O ZINC000293758094 372471585 /nfs/dbraw/zinc/47/15/85/372471585.db2.gz MSFWSJDIIICWFP-HNNXBMFYSA-N 0 0 289.375 3.057 20 10 CGCDRN Cc1ccoc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000293803287 372486377 /nfs/dbraw/zinc/48/63/77/372486377.db2.gz VDRAEBWPNQHIAY-VIFPVBQESA-N 0 0 267.275 3.423 20 10 CGCDRN COC(=O)c1cnc(SCCCCCF)s1 ZINC000295258275 372719058 /nfs/dbraw/zinc/71/90/58/372719058.db2.gz IGRVMRIHFNRCDL-UHFFFAOYSA-N 0 0 263.359 3.162 20 10 CGCDRN CC(C)c1nc(C(=O)N(C)Cc2ccccc2O)cs1 ZINC000171087569 372710381 /nfs/dbraw/zinc/71/03/81/372710381.db2.gz VUYFGFIILXNCFI-UHFFFAOYSA-N 0 0 290.388 3.244 20 10 CGCDRN COc1cccc(CNC(=O)O[C@@H](C)CC(C)C)c1O ZINC000295414648 372772372 /nfs/dbraw/zinc/77/23/72/372772372.db2.gz CCLBKDJHHWUMIE-NSHDSACASA-N 0 0 281.352 3.062 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](CCC)OC ZINC000295884258 372948049 /nfs/dbraw/zinc/94/80/49/372948049.db2.gz GHHWUCGPMRCWFI-INIZCTEOSA-N 0 0 293.407 3.336 20 10 CGCDRN CCc1nnc(NCc2ccc(N(CC)CC)cc2)o1 ZINC000296135596 373032283 /nfs/dbraw/zinc/03/22/83/373032283.db2.gz WAYXZRKTZPXIKD-UHFFFAOYSA-N 0 0 274.368 3.090 20 10 CGCDRN CC(C)(CNC(=O)NCc1ccccc1O)C1CCC1 ZINC000296702834 373224212 /nfs/dbraw/zinc/22/42/12/373224212.db2.gz KQCSITHUGNJCPG-UHFFFAOYSA-N 0 0 276.380 3.018 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)c1cncc(C)c1 ZINC000175867589 373531069 /nfs/dbraw/zinc/53/10/69/373531069.db2.gz MCQWIOQHXMHFLU-UHFFFAOYSA-N 0 0 284.359 3.148 20 10 CGCDRN CCc1nsc(NCCCSc2nccs2)n1 ZINC000301787135 373805482 /nfs/dbraw/zinc/80/54/82/373805482.db2.gz PJCLBRYLRHNBHN-UHFFFAOYSA-N 0 0 286.451 3.151 20 10 CGCDRN Cc1nc(C)c(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000178880361 373815237 /nfs/dbraw/zinc/81/52/37/373815237.db2.gz QYWNXLDLNSVZAG-UHFFFAOYSA-N 0 0 276.361 3.125 20 10 CGCDRN CC[C@@H](C)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000180828799 374048784 /nfs/dbraw/zinc/04/87/84/374048784.db2.gz QSBAAQWLDFNLCS-CHWSQXEVSA-N 0 0 290.407 3.160 20 10 CGCDRN c1nnc(NCc2ccc(N3CCCCC3)cc2)s1 ZINC000181446669 374124346 /nfs/dbraw/zinc/12/43/46/374124346.db2.gz BZOZEGPIJWJKDV-UHFFFAOYSA-N 0 0 274.393 3.141 20 10 CGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)CCCOC ZINC000182202299 374234944 /nfs/dbraw/zinc/23/49/44/374234944.db2.gz OMCJXTKQFSZOGX-CQSZACIVSA-N 0 0 293.407 3.194 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000471226009 375002934 /nfs/dbraw/zinc/00/29/34/375002934.db2.gz HBYXACIFXMRULC-HZMBPMFUSA-N 0 0 292.329 3.004 20 10 CGCDRN Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187708640 375077839 /nfs/dbraw/zinc/07/78/39/375077839.db2.gz XFWAUFOEXNZKRA-MRVPVSSYSA-N 0 0 296.317 3.169 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)c(F)c1[O-] ZINC000187786610 375094827 /nfs/dbraw/zinc/09/48/27/375094827.db2.gz ZGBGVZQZIHZFSB-ZJUUUORDSA-N 0 0 253.292 3.430 20 10 CGCDRN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000189106411 375325305 /nfs/dbraw/zinc/32/53/05/375325305.db2.gz NTKRITJHNXMHAG-JGVFFNPUSA-N 0 0 278.179 3.212 20 10 CGCDRN Cc1ncc(/C=C\C(=O)N2CCc3cc(F)ccc32)s1 ZINC000492813916 375454289 /nfs/dbraw/zinc/45/42/89/375454289.db2.gz RCCSDKOFPFRUTE-HYXAFXHYSA-N 0 0 288.347 3.193 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000190689120 375530579 /nfs/dbraw/zinc/53/05/79/375530579.db2.gz AXSHYHIYWPOEKY-JTQLQIEISA-N 0 0 271.813 3.373 20 10 CGCDRN C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191199891 375594032 /nfs/dbraw/zinc/59/40/32/375594032.db2.gz CCTFPOPDNFETLO-RYUDHWBXSA-N 0 0 298.377 3.195 20 10 CGCDRN CC(C)Oc1ccc(N(C)CC2CCOCC2)cc1 ZINC000191588321 375641696 /nfs/dbraw/zinc/64/16/96/375641696.db2.gz LQMCHQJNFAWSDZ-UHFFFAOYSA-N 0 0 263.381 3.337 20 10 CGCDRN CCCOc1ccc(CNc2cccc(CO)c2)c(O)c1 ZINC000191944516 375682245 /nfs/dbraw/zinc/68/22/45/375682245.db2.gz KZTXTGDHSZEOFR-UHFFFAOYSA-N 0 0 287.359 3.285 20 10 CGCDRN C[C@@H](Nc1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000228291426 376432835 /nfs/dbraw/zinc/43/28/35/376432835.db2.gz OQVHIGBUKYVERC-LLVKDONJSA-N 0 0 259.328 3.460 20 10 CGCDRN C[C@H]1CC/C(=C\C(=O)N(C)Cc2ccccc2O)C1 ZINC000268081560 378049088 /nfs/dbraw/zinc/04/90/88/378049088.db2.gz GIUKVQFJCGQJOV-CVCOIXHCSA-N 0 0 259.349 3.097 20 10 CGCDRN CCC(CC)(CNC(=O)NCc1ccccc1O)SC ZINC000266540203 378022869 /nfs/dbraw/zinc/02/28/69/378022869.db2.gz KQUCKPDIERIBOY-UHFFFAOYSA-N 0 0 296.436 3.113 20 10 CGCDRN Cc1ccc(OCCC(=O)NCc2ccccc2O)c(C)c1 ZINC000269139631 378192111 /nfs/dbraw/zinc/19/21/11/378192111.db2.gz LOOTWNNTEDJSRF-UHFFFAOYSA-N 0 0 299.370 3.094 20 10 CGCDRN C[C@H]([NH2+][C@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273346985 378741754 /nfs/dbraw/zinc/74/17/54/378741754.db2.gz AVVRYKKAUOWLJJ-QWRGUYRKSA-N 0 0 262.309 3.060 20 10 CGCDRN CC(C)OCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273369678 378742162 /nfs/dbraw/zinc/74/21/62/378742162.db2.gz AIFYVRAREANSEI-GFCCVEGCSA-N 0 0 296.367 3.156 20 10 CGCDRN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c(O)c1 ZINC000273386349 378743741 /nfs/dbraw/zinc/74/37/41/378743741.db2.gz CTGVANMEXDDZQU-NVXWUHKLSA-N 0 0 299.414 3.345 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000273419960 378746374 /nfs/dbraw/zinc/74/63/74/378746374.db2.gz RUYSKFHBPCOMSP-SNVBAGLBSA-N 0 0 289.375 3.018 20 10 CGCDRN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccccc1O ZINC000272800514 378706738 /nfs/dbraw/zinc/70/67/38/378706738.db2.gz BKBDGIPAGUJMBJ-IINYFYTJSA-N 0 0 293.313 3.055 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)N(C)C2CCCC2)cc1 ZINC000282409585 379914828 /nfs/dbraw/zinc/91/48/28/379914828.db2.gz AUZZFRAPMLPSQF-UHFFFAOYSA-N 0 0 289.423 3.179 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282834061 379998013 /nfs/dbraw/zinc/99/80/13/379998013.db2.gz UZICQMNKLBIAIV-AWEZNQCLSA-N 0 0 295.810 3.485 20 10 CGCDRN Cc1coc(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284414420 380139576 /nfs/dbraw/zinc/13/95/76/380139576.db2.gz DVWXNVUMIVMVEV-UHFFFAOYSA-N 0 0 286.375 3.235 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)c1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000286182038 380171634 /nfs/dbraw/zinc/17/16/34/380171634.db2.gz QJYNHKBLCWXHOF-PRHODGIISA-N 0 0 295.383 3.493 20 10 CGCDRN Cc1c2ccccc2n(C)c1CNc1ccnc(C2CC2)n1 ZINC000359845726 381373164 /nfs/dbraw/zinc/37/31/64/381373164.db2.gz OVKWVYYDVHFVIT-UHFFFAOYSA-N 0 0 292.386 3.188 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000363842484 382258723 /nfs/dbraw/zinc/25/87/23/382258723.db2.gz CNTGUVZAABILSA-CQSZACIVSA-N 0 0 295.810 3.294 20 10 CGCDRN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121218141 392410412 /nfs/dbraw/zinc/41/04/12/392410412.db2.gz UTQUXQVYOQHHLW-NSHDSACASA-N 0 0 291.782 3.148 20 10 CGCDRN Cc1cc(C[NH2+]Cc2ccccc2O)cc(C)c1O ZINC000134235340 392466280 /nfs/dbraw/zinc/46/62/80/392466280.db2.gz KTFAJHRXXSQGMX-UHFFFAOYSA-N 0 0 257.333 3.004 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000287590500 392400664 /nfs/dbraw/zinc/40/06/64/392400664.db2.gz HYWFPLAJAWKLFU-GXFFZTMASA-N 0 0 271.788 3.105 20 10 CGCDRN COc1cccc(CN2CCC[C@H]2c2nccs2)c1O ZINC000374303780 392676003 /nfs/dbraw/zinc/67/60/03/392676003.db2.gz WZDIVSNIHBUBPT-LBPRGKRZSA-N 0 0 290.388 3.194 20 10 CGCDRN CCN(C(=O)c1ccc(C)c(O)c1O)C1CCCCC1 ZINC000179417600 392700070 /nfs/dbraw/zinc/70/00/70/392700070.db2.gz IVRWNHRJOIVXJG-UHFFFAOYSA-N 0 0 277.364 3.201 20 10 CGCDRN Nc1ccc(CC(=O)N(Cc2cccc(F)c2)C2CC2)cc1 ZINC000237881402 393035931 /nfs/dbraw/zinc/03/59/31/393035931.db2.gz MXYYSSRMMINDGV-UHFFFAOYSA-N 0 0 298.361 3.142 20 10 CGCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000237882808 393036300 /nfs/dbraw/zinc/03/63/00/393036300.db2.gz APVRESMWPNVVIN-GOSISDBHSA-N 0 0 294.398 3.045 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C(C2CC2)C2CC2)c1 ZINC000273419956 292014153 /nfs/dbraw/zinc/01/41/53/292014153.db2.gz RUYSKFHBPCOMSP-JTQLQIEISA-N 0 0 289.375 3.018 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000290267690 286028749 /nfs/dbraw/zinc/02/87/49/286028749.db2.gz LFFCTKNDDJVILY-JTQLQIEISA-N 0 0 287.350 3.384 20 10 CGCDRN CC[C@@H]([NH2+]C[C@H](C)COC)c1cccc(Cl)c1[O-] ZINC000287277481 286911241 /nfs/dbraw/zinc/91/12/41/286911241.db2.gz BGHAKFNSDSJDCD-GXFFZTMASA-N 0 0 271.788 3.369 20 10 CGCDRN Cc1nn(C)c(C)c1N[C@H](C)c1ccc(C)cc1O ZINC000020135801 171023272 /nfs/dbraw/zinc/02/32/72/171023272.db2.gz YZOBUHYKKJGGPB-SNVBAGLBSA-N 0 0 259.353 3.224 20 10 CGCDRN CC[C@H](C)[C@@H](C)N(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000156523745 261125215 /nfs/dbraw/zinc/12/52/15/261125215.db2.gz BRHQFGNUQCHTOJ-QWHCGFSZSA-N 0 0 274.408 3.237 20 10 CGCDRN Cc1cnc(COc2ccc(N3CCCC3)cc2)o1 ZINC000178194350 261732481 /nfs/dbraw/zinc/73/24/81/261732481.db2.gz WSWBMFVQGPHORX-UHFFFAOYSA-N 0 0 258.321 3.162 20 10 CGCDRN [O-]c1c(Cl)cccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179878422 261820983 /nfs/dbraw/zinc/82/09/83/261820983.db2.gz HLYKRDGFWXVJSO-CQSZACIVSA-N 0 0 294.826 3.106 20 10 CGCDRN CCOCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185053051 262039380 /nfs/dbraw/zinc/03/93/80/262039380.db2.gz GAYJXSMGWNVUKN-MRVPVSSYSA-N 0 0 278.179 3.386 20 10 CGCDRN CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185463913 262056032 /nfs/dbraw/zinc/05/60/32/262056032.db2.gz PWSORLMGMZFCEV-KCJUWKMLSA-N 0 0 292.206 3.367 20 10 CGCDRN CCOCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186155295 262082049 /nfs/dbraw/zinc/08/20/49/262082049.db2.gz YKNDZZIQAXFCEI-LBPRGKRZSA-N 0 0 281.371 3.389 20 10 CGCDRN CCCCN(Cc1ccccc1O)C(=O)CC[C@@H](C)OC ZINC000282478730 263076942 /nfs/dbraw/zinc/07/69/42/263076942.db2.gz LKMOMZJEXQAUKO-CQSZACIVSA-N 0 0 293.407 3.336 20 10 CGCDRN CC[C@H]([NH2+]Cc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287855968 263102891 /nfs/dbraw/zinc/10/28/91/263102891.db2.gz XBJYWEWIAIJKFY-ZDUSSCGKSA-N 0 0 279.771 3.020 20 10 CGCDRN CCC[N@H+](CCc1cscn1)Cc1ccccc1O ZINC000295066525 263171830 /nfs/dbraw/zinc/17/18/30/263171830.db2.gz PVYOYOGAXILJFL-UHFFFAOYSA-N 0 0 276.405 3.303 20 10 CGCDRN CCC[C@@H](C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297329033 263203572 /nfs/dbraw/zinc/20/35/72/263203572.db2.gz XOSWVXRHMVJDQX-QGZVFWFLSA-N 0 0 282.387 3.469 20 10 CGCDRN C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000368141842 267148322 /nfs/dbraw/zinc/14/83/22/267148322.db2.gz HAOAXZBIOIWCFP-ZUZCIYMTSA-N 0 0 273.307 3.143 20 10 CGCDRN Cc1cccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1O ZINC000370478101 267321756 /nfs/dbraw/zinc/32/17/56/267321756.db2.gz RZYNBDVJJGRBQM-OAHLLOKOSA-N 0 0 287.334 3.453 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377195037 268054706 /nfs/dbraw/zinc/05/47/06/268054706.db2.gz CLAZEEINUWFCOZ-QWRGUYRKSA-N 0 0 299.773 3.043 20 10 CGCDRN CC[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000287587632 288045898 /nfs/dbraw/zinc/04/58/98/288045898.db2.gz HTIFYUZCYDODEN-GWCFXTLKSA-N 0 0 269.772 3.123 20 10 CGCDRN CC[C@@H]([NH2+]C[C@@H](C)COC)c1cccc(Cl)c1[O-] ZINC000287277491 280188765 /nfs/dbraw/zinc/18/87/65/280188765.db2.gz BGHAKFNSDSJDCD-ZWNOBZJWSA-N 0 0 271.788 3.369 20 10 CGCDRN Cc1ccc(O)c(CNc2nnc(C(F)F)s2)c1 ZINC000184861740 327834196 /nfs/dbraw/zinc/83/41/96/327834196.db2.gz YIYKRJOWAHQDDQ-UHFFFAOYSA-N 0 0 271.292 3.102 20 10 CGCDRN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185564359 327841041 /nfs/dbraw/zinc/84/10/41/327841041.db2.gz ZFHWHNUWTKVDRT-QWRGUYRKSA-N 0 0 269.360 3.386 20 10 CGCDRN Cc1noc2ncc(NCc3cc(C)c(C)cc3O)cc12 ZINC000274243219 328210282 /nfs/dbraw/zinc/21/02/82/328210282.db2.gz WQYHXUAQTSHBFV-UHFFFAOYSA-N 0 0 283.331 3.466 20 10 CGCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000104317142 328780238 /nfs/dbraw/zinc/78/02/38/328780238.db2.gz BFMLUHPIBXLWEG-GORDUTHDSA-N 0 0 292.260 3.175 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000378503335 329053261 /nfs/dbraw/zinc/05/32/61/329053261.db2.gz ZCOHJUUQHIIINM-LLVKDONJSA-N 0 0 261.296 3.114 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000249600915 329908152 /nfs/dbraw/zinc/90/81/52/329908152.db2.gz ODUGGTSJFZGHPJ-MRCXROJRSA-N 0 0 299.773 3.232 20 10 CGCDRN Cc1ncsc1/C=C\C(=O)N1CCc2cc(F)ccc21 ZINC000492857087 332416228 /nfs/dbraw/zinc/41/62/28/332416228.db2.gz JUVZGPSXOORQJJ-PLNGDYQASA-N 0 0 288.347 3.193 20 10 CGCDRN Cc1nc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cs1 ZINC000230658452 333319730 /nfs/dbraw/zinc/31/97/30/333319730.db2.gz XVIPRKFOJIBZCL-SECBINFHSA-N 0 0 280.368 3.190 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CC(Cc2ccco2)C1 ZINC000529650025 333503862 /nfs/dbraw/zinc/50/38/62/333503862.db2.gz VMOYGHRQEFIKKM-UHFFFAOYSA-N 0 0 295.741 3.452 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)c1cc2c(s1)CCC2 ZINC000136946011 334165806 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572873836 /nfs/dbraw/zinc/87/38/36/572873836.db2.gz FVRNAIXVBJNGQP-UHFFFAOYSA-N 0 0 292.342 3.015 20 10 CGCDRN CCC(CC)[C@H](CC[NH2+]Cc1c(O)cccc1OC)OC ZINC000746762534 572894669 /nfs/dbraw/zinc/89/46/69/572894669.db2.gz XKFVXPJFXUGPSI-INIZCTEOSA-N 0 0 295.423 3.332 20 10 CGCDRN Cc1cccc(NC(=S)NCc2cccc(F)n2)c1C ZINC000747721086 572942894 /nfs/dbraw/zinc/94/28/94/572942894.db2.gz LBJGCDIHHGUAGM-UHFFFAOYSA-N 0 0 289.379 3.324 20 10 CGCDRN C[C@@H](NC(=S)NCc1ccccc1O)c1ccccc1 ZINC000748158299 572963877 /nfs/dbraw/zinc/96/38/77/572963877.db2.gz PXCQOANDOXQEOZ-GFCCVEGCSA-N 0 0 286.400 3.118 20 10 CGCDRN Cc1ccccc1NC(=S)NCc1ccccc1O ZINC000748156107 572963934 /nfs/dbraw/zinc/96/39/34/572963934.db2.gz DRHWSZRRHGUZRZ-UHFFFAOYSA-N 0 0 272.373 3.187 20 10 CGCDRN Cc1ccc(NC(=O)NCc2ccccc2O)cc1C ZINC000748438855 572976834 /nfs/dbraw/zinc/97/68/34/572976834.db2.gz QZXZZQZNHCAWQB-UHFFFAOYSA-N 0 0 270.332 3.331 20 10 CGCDRN CSc1ccccc1N(C)C(=O)/C=C/c1cccnc1 ZINC000749468109 573009492 /nfs/dbraw/zinc/00/94/92/573009492.db2.gz KDYKOCNKWPYFCT-MDZDMXLPSA-N 0 0 284.384 3.480 20 10 CGCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)[C@H]2CCCC[C@H]12 ZINC000749542452 573018494 /nfs/dbraw/zinc/01/84/94/573018494.db2.gz HIZAESPBPLGXRZ-RTXFEEFZSA-N 0 0 279.405 3.495 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000818054245 597244681 /nfs/dbraw/zinc/24/46/81/597244681.db2.gz ZGDABBOLZFLGSP-CYBMUJFWSA-N 0 0 298.386 3.302 20 10 CGCDRN CCN(Cc1c(O)cc(C)cc1Cl)CC(F)F ZINC000840940222 619232050 /nfs/dbraw/zinc/23/20/50/619232050.db2.gz XCQMDOMJTSTUIH-UHFFFAOYSA-N 0 0 263.715 3.441 20 10 CGCDRN Cc1cc(O)c(C[N@@H+](C)C2(C(=O)[O-])CCCCC2)cc1C ZINC000833746774 604643138 /nfs/dbraw/zinc/64/31/38/604643138.db2.gz IEEHPQKWXFMHBR-UHFFFAOYSA-N 0 0 291.391 3.228 20 10 CGCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])cc1C(C)C ZINC000832900188 604979451 /nfs/dbraw/zinc/97/94/51/604979451.db2.gz SBPONEXBORDIHN-CQSZACIVSA-N 0 0 291.391 3.263 20 10 CGCDRN CC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc(Cl)c1[O-] ZINC000806160984 617688791 /nfs/dbraw/zinc/68/87/91/617688791.db2.gz HBBOFSOSJQLJOE-WDMOLILDSA-N 0 0 283.799 3.247 20 10 CGCDRN O=C(C1=CC(=O)CS1)N1CC2(CC2)Oc2ccccc21 ZINC000890619677 617710133 /nfs/dbraw/zinc/71/01/33/617710133.db2.gz WNZQRQNMLWCYQF-UHFFFAOYSA-N 0 0 287.340 3.026 20 10 CGCDRN CCCOC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000016183264 617766674 /nfs/dbraw/zinc/76/66/74/617766674.db2.gz BWKNWYFPEGOVAD-UHFFFAOYSA-N 0 0 294.306 3.029 20 10 CGCDRN COc1ccc(CNc2nccc(C)c2Cl)c(O)c1 ZINC000804683552 617795060 /nfs/dbraw/zinc/79/50/60/617795060.db2.gz ZBATUUXZWHSCAT-UHFFFAOYSA-N 0 0 278.739 3.370 20 10 CGCDRN CC1(CCC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890762951 617818672 /nfs/dbraw/zinc/81/86/72/617818672.db2.gz LHGXZCSHXJKXEN-UHFFFAOYSA-N 0 0 267.756 3.242 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000890763339 617819408 /nfs/dbraw/zinc/81/94/08/617819408.db2.gz SOTVLVKEGWCENF-CNDDSTCGSA-N 0 0 293.794 3.488 20 10 CGCDRN O=C(NCc1ccccc1O)c1ccc(Cl)cc1F ZINC000082287124 617995387 /nfs/dbraw/zinc/99/53/87/617995387.db2.gz ZGDYHUOVWVJGFQ-UHFFFAOYSA-N 0 0 279.698 3.115 20 10 CGCDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]2C)c(C)n1-c1ccccn1 ZINC000804856061 618038927 /nfs/dbraw/zinc/03/89/27/618038927.db2.gz VWHZTBCNZMQBCX-IAQYHMDHSA-N 0 0 283.375 3.017 20 10 CGCDRN Cc1cc(C(=O)N[C@H]2CC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000804856102 618038961 /nfs/dbraw/zinc/03/89/61/618038961.db2.gz VWHZTBCNZMQBCX-NHYWBVRUSA-N 0 0 283.375 3.017 20 10 CGCDRN CCc1ccc2c(c1)CCN2C(=O)/C=C(\C)c1cnccn1 ZINC000891384370 618177466 /nfs/dbraw/zinc/17/74/66/618177466.db2.gz NMOFGUVQKSBNQT-JLHYYAGUSA-N 0 0 293.370 3.032 20 10 CGCDRN CCCCCNC(=O)NCc1cccc(Cl)c1O ZINC000891412821 618191084 /nfs/dbraw/zinc/19/10/84/618191084.db2.gz FGUBQALWMOFYAK-UHFFFAOYSA-N 0 0 270.760 3.035 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCC1CC1 ZINC000077794645 618217226 /nfs/dbraw/zinc/21/72/26/618217226.db2.gz XKHHIFBUZVTINS-UHFFFAOYSA-N 0 0 289.423 3.050 20 10 CGCDRN COc1cccc(CNC(=O)CC2CCCCCC2)c1O ZINC000176149312 618371484 /nfs/dbraw/zinc/37/14/84/618371484.db2.gz RCGDSRHGZHLXAZ-UHFFFAOYSA-N 0 0 291.391 3.378 20 10 CGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000101590154 618488853 /nfs/dbraw/zinc/48/88/53/618488853.db2.gz YIXPDRIBZXRXQJ-OAHLLOKOSA-N 0 0 284.315 3.078 20 10 CGCDRN COc1ccc(O)c(CNc2cccc(F)c2C)c1 ZINC000043319882 618578868 /nfs/dbraw/zinc/57/88/68/618578868.db2.gz BXFXTMRGASTAKR-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN Cc1ccc(O)c([C@H](C)Nc2cccc3c2CN(C)C3=O)c1 ZINC000840855513 618685100 /nfs/dbraw/zinc/68/51/00/618685100.db2.gz CVBCAEOZALJHOJ-LBPRGKRZSA-N 0 0 296.370 3.459 20 10 CGCDRN CCOc1ncccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000184985638 625287387 /nfs/dbraw/zinc/28/73/87/625287387.db2.gz QDCSPEWSHNEUKS-LLVKDONJSA-N 0 0 290.338 3.176 20 10 CGCDRN O=[N+]([O-])c1ccc(NCc2ccccc2O)c2ccncc21 ZINC000318161175 618739949 /nfs/dbraw/zinc/73/99/49/618739949.db2.gz DXUDWMJQWIDUAK-UHFFFAOYSA-N 0 0 295.298 3.461 20 10 CGCDRN Cc1cc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc2[nH]1 ZINC000179421567 618783326 /nfs/dbraw/zinc/78/33/26/618783326.db2.gz UNOSMULQHWTDAP-UHFFFAOYSA-N 0 0 296.326 3.448 20 10 CGCDRN Cn1cccc1C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000160412406 618866473 /nfs/dbraw/zinc/86/64/73/618866473.db2.gz QTWWFEYPIWOWAG-UHFFFAOYSA-N 0 0 284.403 3.242 20 10 CGCDRN Oc1ccc(Br)cc1C[NH2+]CCC1CCC1 ZINC000165847359 618900757 /nfs/dbraw/zinc/90/07/57/618900757.db2.gz DPDNLVFEGRZEGG-UHFFFAOYSA-N 0 0 284.197 3.435 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(F)c(F)c1 ZINC000180587471 619017651 /nfs/dbraw/zinc/01/76/51/619017651.db2.gz JMDDXDAGLWYKFB-QHHAFSJGSA-N 0 0 291.253 3.028 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1cc(F)ccc1O ZINC000185227691 619058993 /nfs/dbraw/zinc/05/89/93/619058993.db2.gz UPEFAQJLUNVNIR-ZIAGYGMSSA-N 0 0 294.414 3.302 20 10 CGCDRN Fc1ccccc1NC(=S)NCc1ccc(Cl)cn1 ZINC000776195470 619116182 /nfs/dbraw/zinc/11/61/82/619116182.db2.gz RDOJCRHYALGVBS-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894600702 619583738 /nfs/dbraw/zinc/58/37/38/619583738.db2.gz KTRUIVLYUFTVMT-GMSGAONNSA-N 0 0 295.251 3.443 20 10 CGCDRN COc1ccc(N(C)Cc2ccnn2C2CCC2)cc1 ZINC000895136950 619749068 /nfs/dbraw/zinc/74/90/68/619749068.db2.gz DPHYXVVMYMHMCF-UHFFFAOYSA-N 0 0 271.364 3.253 20 10 CGCDRN CCC[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895446704 619830750 /nfs/dbraw/zinc/83/07/50/619830750.db2.gz DNYQBRRKOHYLFL-MRVPVSSYSA-N 0 0 279.361 3.231 20 10 CGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000895528446 619842077 /nfs/dbraw/zinc/84/20/77/619842077.db2.gz YTHUPFCWFABTJT-ZMLRMANQSA-N 0 0 294.782 3.033 20 10 CGCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895583851 619854626 /nfs/dbraw/zinc/85/46/26/619854626.db2.gz ZDHOEGRMSOBXQM-GFCCVEGCSA-N 0 0 274.389 3.147 20 10 CGCDRN O=C(NCC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895678556 619867536 /nfs/dbraw/zinc/86/75/36/619867536.db2.gz VXSJESSNRBRKSI-UHFFFAOYSA-N 0 0 291.372 3.233 20 10 CGCDRN CCNc1ccc(C)cc1C(=O)N(C)Cc1ccccc1O ZINC000895755755 619881269 /nfs/dbraw/zinc/88/12/69/619881269.db2.gz OMFTVJZTZROJLI-UHFFFAOYSA-N 0 0 298.386 3.405 20 10 CGCDRN Cc1cccc(C[NH2+]Cc2c([O-])cccc2F)c1C ZINC000896640630 620041641 /nfs/dbraw/zinc/04/16/41/620041641.db2.gz KEWBIYJWGGDBEV-UHFFFAOYSA-N 0 0 259.324 3.438 20 10 CGCDRN CCc1ccc(C[NH2+]Cc2c([O-])cccc2F)s1 ZINC000896641866 620042133 /nfs/dbraw/zinc/04/21/33/620042133.db2.gz UOFZFHZNRCDZPK-UHFFFAOYSA-N 0 0 265.353 3.445 20 10 CGCDRN [O-]c1cccc(F)c1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000896641324 620042215 /nfs/dbraw/zinc/04/22/15/620042215.db2.gz QEFJZICGRMXBFZ-GFCCVEGCSA-N 0 0 287.334 3.187 20 10 CGCDRN COc1ccc(C)cc1C[NH2+]Cc1c([O-])cccc1F ZINC000896641974 620042466 /nfs/dbraw/zinc/04/24/66/620042466.db2.gz VQDLMHWAUIVXAV-UHFFFAOYSA-N 0 0 275.323 3.138 20 10 CGCDRN CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1ccc(F)cc1[O-] ZINC000796750469 620142532 /nfs/dbraw/zinc/14/25/32/620142532.db2.gz ZEEVZYAOMSSVBG-IUODEOHRSA-N 0 0 282.403 3.302 20 10 CGCDRN CCc1onc(C)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000897337102 620210861 /nfs/dbraw/zinc/21/08/61/620210861.db2.gz JFUCHQWTLMMPJG-UHFFFAOYSA-N 0 0 280.755 3.194 20 10 CGCDRN C[C@]1(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1(F)F ZINC000864051392 620359906 /nfs/dbraw/zinc/35/99/06/620359906.db2.gz HTEFJEIZOKSVKV-LBPRGKRZSA-N 0 0 277.261 3.195 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000898214359 620488303 /nfs/dbraw/zinc/48/83/03/620488303.db2.gz AVZPAQYTWKISAE-QMMMGPOBSA-N 0 0 280.582 3.329 20 10 CGCDRN CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000927026269 620563976 /nfs/dbraw/zinc/56/39/76/620563976.db2.gz ZZYLFLQIIOVEPD-PWSUYJOCSA-N 0 0 271.788 3.247 20 10 CGCDRN CC1(C)C[C@]1(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898980016 620612533 /nfs/dbraw/zinc/61/25/33/620612533.db2.gz NQGDWKHILGXRSG-HNNXBMFYSA-N 0 0 291.372 3.231 20 10 CGCDRN Oc1c(F)cc(F)cc1CNc1cnc(CC2CC2)nc1 ZINC000902264983 621232491 /nfs/dbraw/zinc/23/24/91/621232491.db2.gz SAQASVVOYBWHRJ-UHFFFAOYSA-N 0 0 291.301 3.025 20 10 CGCDRN CC[C@H]([NH2+]CCCON)c1ccc(Cl)c(Cl)c1[O-] ZINC000902425940 621313469 /nfs/dbraw/zinc/31/34/69/621313469.db2.gz QCOCTYXZGMZDLD-JTQLQIEISA-N 0 0 293.194 3.020 20 10 CGCDRN COC/C(C)=C\COc1ccc(N2CCCC2)cc1 ZINC000902718109 621406564 /nfs/dbraw/zinc/40/65/64/621406564.db2.gz ZDBBLAMCSLZHRC-ZROIWOOFSA-N 0 0 261.365 3.258 20 10 CGCDRN C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1c([O-])cccc1F ZINC000903298841 621666489 /nfs/dbraw/zinc/66/64/89/621666489.db2.gz YEXYAYKELQHVQO-BXUZGUMPSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H](N[C@H](c1ncccn1)C1CC1)c1c(O)cccc1F ZINC000903325705 621679894 /nfs/dbraw/zinc/67/98/94/621679894.db2.gz UNYWVFGBVLXQIQ-BMIGLBTASA-N 0 0 287.338 3.123 20 10 CGCDRN CC[C@H]([NH2+][C@H]1COC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000903393555 621718457 /nfs/dbraw/zinc/71/84/57/621718457.db2.gz PIPPBRPRORMIGR-ICCXJUOJSA-N 0 0 269.772 3.121 20 10 CGCDRN Cc1ncccc1CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000903418442 621736286 /nfs/dbraw/zinc/73/62/86/621736286.db2.gz KPZFKNWQBGKOIQ-LBPRGKRZSA-N 0 0 274.339 3.128 20 10 CGCDRN Oc1ccc(F)cc1CNc1ccc(Cl)cn1 ZINC000083393898 625516373 /nfs/dbraw/zinc/51/63/73/625516373.db2.gz VIFPLHCCNJRIRS-UHFFFAOYSA-N 0 0 252.676 3.192 20 10 CGCDRN COc1cc(NCc2cccc(C)c2O)ccc1F ZINC000083445891 625520569 /nfs/dbraw/zinc/52/05/69/625520569.db2.gz BTRZGAQYOTWJJF-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN COc1ccc(C)cc1NCc1cc(F)ccc1O ZINC000083445807 625520888 /nfs/dbraw/zinc/52/08/88/625520888.db2.gz JSYQTOQUZZIYCL-UHFFFAOYSA-N 0 0 261.296 3.460 20 10 CGCDRN CCOc1ccc(N(C)Cc2ccoc2C(=O)OC)cc1 ZINC000150732189 622657999 /nfs/dbraw/zinc/65/79/99/622657999.db2.gz AXXFFHUJQIQVLE-UHFFFAOYSA-N 0 0 289.331 3.101 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H](C)CC[C@H]1C ZINC000151442544 622787886 /nfs/dbraw/zinc/78/78/86/622787886.db2.gz ILZWEOOLDFNKED-ZIAGYGMSSA-N 0 0 289.423 3.143 20 10 CGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]2(C)CCOC2)cc1 ZINC000156755395 622842047 /nfs/dbraw/zinc/84/20/47/622842047.db2.gz UGRDGVGPVDQDQH-SFHVURJKSA-N 0 0 298.386 3.003 20 10 CGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H]2CCCC[C@@H]12 ZINC000225517458 622917638 /nfs/dbraw/zinc/91/76/38/622917638.db2.gz UCSVOPQBAWTDKG-COXVUDFISA-N 0 0 286.419 3.239 20 10 CGCDRN COc1ccc(OC)c(NCc2cc(F)ccc2O)c1 ZINC000226581091 622984219 /nfs/dbraw/zinc/98/42/19/622984219.db2.gz LDUFYKUKAFJUQS-UHFFFAOYSA-N 0 0 277.295 3.161 20 10 CGCDRN C[C@@H](C1CC1)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000158075243 623004284 /nfs/dbraw/zinc/00/42/84/623004284.db2.gz HYRDHQJFAICBTO-VIFPVBQESA-N 0 0 284.197 3.385 20 10 CGCDRN COc1cccc(CNC(=O)Nc2ccccc2C)c1O ZINC000170931624 623115524 /nfs/dbraw/zinc/11/55/24/623115524.db2.gz BXWRSYOZJMJNIG-UHFFFAOYSA-N 0 0 286.331 3.031 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccco2)cc1 ZINC000229765895 623161549 /nfs/dbraw/zinc/16/15/49/623161549.db2.gz IHYNCPUNAWCJTB-KHPPLWFESA-N 0 0 284.359 3.017 20 10 CGCDRN CN(Cc1ccccc1O)Cc1cccnc1Cl ZINC000171926928 623200836 /nfs/dbraw/zinc/20/08/36/623200836.db2.gz OMPCYEAHUADNLZ-UHFFFAOYSA-N 0 0 262.740 3.073 20 10 CGCDRN COc1ccc(O)c(CNC(=O)/C=C(\C)c2ccccc2)c1 ZINC000172043434 623211715 /nfs/dbraw/zinc/21/17/15/623211715.db2.gz QOKCFUCIJGYBDI-JLHYYAGUSA-N 0 0 297.354 3.121 20 10 CGCDRN C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000062748402 623268144 /nfs/dbraw/zinc/26/81/44/623268144.db2.gz UNUKREHVLGJAGC-SNVBAGLBSA-N 0 0 290.294 3.290 20 10 CGCDRN CCN1C(=O)/C(=C/c2csc(C3CC3)n2)SC1=S ZINC000063274607 623311644 /nfs/dbraw/zinc/31/16/44/623311644.db2.gz VEZLBAWFHZCOBC-UITAMQMPSA-N 0 0 296.442 3.242 20 10 CGCDRN Oc1ccccc1CN(Cc1nncs1)C1CCCC1 ZINC000929636157 623489000 /nfs/dbraw/zinc/48/90/00/623489000.db2.gz SJKBPMNFCQTKPI-UHFFFAOYSA-N 0 0 289.404 3.189 20 10 CGCDRN CC(C)(NC(=O)NCCCSc1nccs1)C1CC1 ZINC000759589380 623559997 /nfs/dbraw/zinc/55/99/97/623559997.db2.gz IPBAIGNTJXDPCX-UHFFFAOYSA-N 0 0 299.465 3.113 20 10 CGCDRN CCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914908221 623876796 /nfs/dbraw/zinc/87/67/96/623876796.db2.gz YWYIAXHCAZTEGT-UHFFFAOYSA-N 0 0 272.348 3.446 20 10 CGCDRN CC(C)N(CC1CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000917998973 624327230 /nfs/dbraw/zinc/32/72/30/624327230.db2.gz RYLLBSJWRVMTFP-UHFFFAOYSA-N 0 0 289.423 3.083 20 10 CGCDRN Cc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC000154640546 624333503 /nfs/dbraw/zinc/33/35/03/624333503.db2.gz LUXXKMDHANDSLT-UHFFFAOYSA-N 0 0 293.370 3.375 20 10 CGCDRN COC(=O)c1cc2ccccc2c(C[N@H+](C)CC2CC2)c1O ZINC000919942514 624434503 /nfs/dbraw/zinc/43/45/03/624434503.db2.gz VPVGNRUWYOLOMM-UHFFFAOYSA-N 0 0 299.370 3.174 20 10 CGCDRN O=C(CCc1ccoc1)NCc1c(O)ccc2c1CCCC2 ZINC000175550871 624645686 /nfs/dbraw/zinc/64/56/86/624645686.db2.gz QRZUSSYOTPMDOE-UHFFFAOYSA-N 0 0 299.370 3.113 20 10 CGCDRN Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)c(O)c1O ZINC000182191164 624954970 /nfs/dbraw/zinc/95/49/70/624954970.db2.gz LYTCLDQZMNREIO-UHFFFAOYSA-N 0 0 296.326 3.150 20 10 CGCDRN C[C@H]([NH2+]CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756355585 625899014 /nfs/dbraw/zinc/89/90/14/625899014.db2.gz SSCHYYUAUGKOOA-LBPRGKRZSA-N 0 0 286.331 3.194 20 10 CGCDRN Cc1cccc(CNc2ccccc2N(C)C)c1O ZINC000124625005 634471018 /nfs/dbraw/zinc/47/10/18/634471018.db2.gz IQTRVEDCZVZPIL-UHFFFAOYSA-N 0 0 256.349 3.379 20 10 CGCDRN CCc1nc2cc(NC(=O)c3cccc(O)c3O)ccc2o1 ZINC000186975280 626085412 /nfs/dbraw/zinc/08/54/12/626085412.db2.gz YMNMBRYDRIDMAZ-UHFFFAOYSA-N 0 0 298.298 3.054 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(F)c1 ZINC000124679372 634479931 /nfs/dbraw/zinc/47/99/31/634479931.db2.gz JAQQBQASCHXYNO-UHFFFAOYSA-N 0 0 265.715 3.475 20 10 CGCDRN CC(C)(C)c1cnc(SCc2cn[nH]c2)s1 ZINC000788104553 626227078 /nfs/dbraw/zinc/22/70/78/626227078.db2.gz BARUIEOTXFSZMS-UHFFFAOYSA-N 0 0 253.396 3.456 20 10 CGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1CCC1 ZINC000751303269 626384585 /nfs/dbraw/zinc/38/45/85/626384585.db2.gz WZUCPJPOXPOLQT-UHFFFAOYSA-N 0 0 292.342 3.135 20 10 CGCDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C1=CC(=O)CS1 ZINC000751426357 626389648 /nfs/dbraw/zinc/38/96/48/626389648.db2.gz REANWTDYXXYILS-SMDDNHRTSA-N 0 0 287.384 3.472 20 10 CGCDRN CCc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000751530795 626394647 /nfs/dbraw/zinc/39/46/47/626394647.db2.gz UIRBCTTYPRPCCS-UHFFFAOYSA-N 0 0 271.316 3.221 20 10 CGCDRN COc1ccc(N(C)CCc2ccccc2)c(OC)c1 ZINC000752109291 626419171 /nfs/dbraw/zinc/41/91/71/626419171.db2.gz FBQROAKXVNKACI-UHFFFAOYSA-N 0 0 271.360 3.383 20 10 CGCDRN COc1ccc(N(C)Cc2cnccc2C)c(OC)c1 ZINC000752123449 626419354 /nfs/dbraw/zinc/41/93/54/626419354.db2.gz CAEJHKUMFVOFAN-UHFFFAOYSA-N 0 0 272.348 3.044 20 10 CGCDRN COc1ccc(N(C)Cc2ccccc2)c(OC)c1 ZINC000752111941 626419415 /nfs/dbraw/zinc/41/94/15/626419415.db2.gz OGWYGRVUBWXLGW-UHFFFAOYSA-N 0 0 257.333 3.340 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CC2(Cl)Cl)c(OC)c1 ZINC000752125157 626419632 /nfs/dbraw/zinc/41/96/32/626419632.db2.gz ADWQAXHOEHNZCQ-VIFPVBQESA-N 0 0 290.190 3.334 20 10 CGCDRN Fc1cccnc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000752766686 626438316 /nfs/dbraw/zinc/43/83/16/626438316.db2.gz QCTNYHULHDQTQR-UHFFFAOYSA-N 0 0 295.770 3.361 20 10 CGCDRN Cc1cc(C(=O)N2CC(F)C2)c(C)n1-c1ccccc1C ZINC000753072052 626444943 /nfs/dbraw/zinc/44/49/43/626444943.db2.gz UKFMPLSRARFDMS-UHFFFAOYSA-N 0 0 286.350 3.196 20 10 CGCDRN COc1ccc(N(C)CC[C@@H]2CCCCO2)cc1OC ZINC000754018290 626472327 /nfs/dbraw/zinc/47/23/27/626472327.db2.gz KPRKKYSQLRDRIP-AWEZNQCLSA-N 0 0 279.380 3.099 20 10 CGCDRN Cc1cc(C(F)(F)F)nc(N(C)Cc2ccccc2O)n1 ZINC000754055575 626473671 /nfs/dbraw/zinc/47/36/71/626473671.db2.gz CINKUCCGMMGHKU-UHFFFAOYSA-N 0 0 297.280 3.146 20 10 CGCDRN C[C@H](CCC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000755530606 626628943 /nfs/dbraw/zinc/62/89/43/626628943.db2.gz LUYBFHUBXCIROL-GFCCVEGCSA-N 0 0 293.407 3.219 20 10 CGCDRN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756588114 626718809 /nfs/dbraw/zinc/71/88/09/626718809.db2.gz FGRZQTHERZMPJR-ONGXEEELSA-N 0 0 287.350 3.118 20 10 CGCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000756635869 626722723 /nfs/dbraw/zinc/72/27/23/626722723.db2.gz BIYZHCWOPMALBA-FSBGKCOPSA-N 0 0 299.361 3.262 20 10 CGCDRN C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756637033 626722861 /nfs/dbraw/zinc/72/28/61/626722861.db2.gz LEOBYPXWDMDJPS-MRVPVSSYSA-N 0 0 290.190 3.122 20 10 CGCDRN C[C@H]([NH2+]CCNc1ccccc1)c1ccc(F)cc1[O-] ZINC000756643322 626724047 /nfs/dbraw/zinc/72/40/47/626724047.db2.gz UDDQRSVEIHOSTC-LBPRGKRZSA-N 0 0 274.339 3.294 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cc(F)cc(F)c1[O-] ZINC000756651188 626724801 /nfs/dbraw/zinc/72/48/01/626724801.db2.gz VHXVOKNJCQQEGL-SCZZXKLOSA-N 0 0 273.348 3.217 20 10 CGCDRN CC[C@@H](N[C@@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000756659170 626725264 /nfs/dbraw/zinc/72/52/64/626725264.db2.gz OKRACEJQWNDRAI-GXTWGEPZSA-N 0 0 293.407 3.472 20 10 CGCDRN Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756735764 626728616 /nfs/dbraw/zinc/72/86/16/626728616.db2.gz HUVRGAXQRAWJNT-GWCFXTLKSA-N 0 0 295.379 3.285 20 10 CGCDRN C[C@@H]([NH2+]CC(C)(C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000756759386 626729052 /nfs/dbraw/zinc/72/90/52/626729052.db2.gz JPRXCFASMJOXRV-MRVPVSSYSA-N 0 0 292.206 3.368 20 10 CGCDRN CC(C)C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756770357 626730518 /nfs/dbraw/zinc/73/05/18/626730518.db2.gz UHLBCOPUMIJJDW-WDEREUQCSA-N 0 0 266.341 3.386 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(F)n1)c1cc(F)cc(F)c1[O-] ZINC000756769182 626730763 /nfs/dbraw/zinc/73/07/63/626730763.db2.gz OQRATXOROSNMFK-MRVPVSSYSA-N 0 0 282.265 3.055 20 10 CGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(F)cc2)c1 ZINC000756794772 626733342 /nfs/dbraw/zinc/73/33/42/626733342.db2.gz BTMPWICLQWCCJW-JTQLQIEISA-N 0 0 289.306 3.491 20 10 CGCDRN CCc1nn(C)cc1N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756856705 626737972 /nfs/dbraw/zinc/73/79/72/626737972.db2.gz HNEMSSMVQPIPDP-CABZTGNLSA-N 0 0 289.354 3.488 20 10 CGCDRN Cc1c(N[C@H](C)c2ccc(C)c(C)c2O)cnn1C ZINC000756874162 626739394 /nfs/dbraw/zinc/73/93/94/626739394.db2.gz PCPISHALBJMBFV-LLVKDONJSA-N 0 0 259.353 3.224 20 10 CGCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CCCCO1)CCC2 ZINC000839653790 626770016 /nfs/dbraw/zinc/77/00/16/626770016.db2.gz GCKLQNSKWVJHRD-CQSZACIVSA-N 0 0 291.391 3.026 20 10 CGCDRN COCCCCCN1CCCc2cc(OC)cc(OC)c21 ZINC000839656683 626770701 /nfs/dbraw/zinc/77/07/01/626770701.db2.gz RORWMDSFXMQHQC-UHFFFAOYSA-N 0 0 293.407 3.273 20 10 CGCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000839729924 626783199 /nfs/dbraw/zinc/78/31/99/626783199.db2.gz XAWAJEDUTYANSX-AWEZNQCLSA-N 0 0 297.402 3.255 20 10 CGCDRN Cc1cnc(CN(C)c2ccc(OC(C)C)cc2)cn1 ZINC000759933818 626932097 /nfs/dbraw/zinc/93/20/97/626932097.db2.gz QPGHWJPJKNRZHT-UHFFFAOYSA-N 0 0 271.364 3.209 20 10 CGCDRN Cc1cc2c(ncnc2NCc2ccccc2O)s1 ZINC000761210219 627025347 /nfs/dbraw/zinc/02/53/47/627025347.db2.gz JLXFKLWVTLXOED-UHFFFAOYSA-N 0 0 271.345 3.317 20 10 CGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccccc21 ZINC000762799821 627124799 /nfs/dbraw/zinc/12/47/99/627124799.db2.gz CFVOTRRWXGGDDK-NSHDSACASA-N 0 0 295.342 3.084 20 10 CGCDRN CC/C=C(\C)C(=O)NCc1cccc(Br)c1O ZINC000765754171 627268578 /nfs/dbraw/zinc/26/85/78/627268578.db2.gz RWSLWRKXMSIFDA-WEVVVXLNSA-N 0 0 298.180 3.127 20 10 CGCDRN O=C(NCc1ccccc1O)[C@H](c1ccccc1)C1CC1 ZINC000765868759 627275793 /nfs/dbraw/zinc/27/57/93/627275793.db2.gz PKTDOGQEHRCYQH-QGZVFWFLSA-N 0 0 281.355 3.202 20 10 CGCDRN Cc1cccc(C)c1CNC(=O)NCc1ccccc1O ZINC000765914919 627277950 /nfs/dbraw/zinc/27/79/50/627277950.db2.gz BLYAJSYCZKNACE-UHFFFAOYSA-N 0 0 284.359 3.008 20 10 CGCDRN CCc1cc(C)nc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000766080126 627293172 /nfs/dbraw/zinc/29/31/72/627293172.db2.gz LEFBVOSZYSBOQY-UHFFFAOYSA-N 0 0 294.402 3.336 20 10 CGCDRN Cc1cc(C)c2c(N)c(C(=O)OCCCF)sc2n1 ZINC000767271617 627396067 /nfs/dbraw/zinc/39/60/67/627396067.db2.gz IXQUQWAEUGEQJZ-UHFFFAOYSA-N 0 0 282.340 3.012 20 10 CGCDRN CC/C=C\CCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000767578014 627418057 /nfs/dbraw/zinc/41/80/57/627418057.db2.gz USUBRNCBCNURID-DDYVKQNKSA-N 0 0 262.305 3.011 20 10 CGCDRN CCC(=O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000768367322 627476459 /nfs/dbraw/zinc/47/64/59/627476459.db2.gz FJCNRAJHZRBMAN-UHFFFAOYSA-N 0 0 298.386 3.111 20 10 CGCDRN COc1ccc(N(C[C@@H]2CCCOC2)C(C)C)cc1F ZINC000768542308 627485249 /nfs/dbraw/zinc/48/52/49/627485249.db2.gz UXUWNNAAWZRRKZ-ZDUSSCGKSA-N 0 0 281.371 3.476 20 10 CGCDRN C[C@@H](CCC1CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000768967173 627512480 /nfs/dbraw/zinc/51/24/80/627512480.db2.gz KPEKERDJIXQBMG-ZDUSSCGKSA-N 0 0 289.423 3.131 20 10 CGCDRN CCc1nc(CN(C)Cc2cc(C)ccc2O)cs1 ZINC000769125613 627524840 /nfs/dbraw/zinc/52/48/40/627524840.db2.gz PYPXRQHMIMJBRC-UHFFFAOYSA-N 0 0 276.405 3.352 20 10 CGCDRN CC(C)(NC(=O)C1=CC(=O)CS1)c1cccs1 ZINC000839800796 627570722 /nfs/dbraw/zinc/57/07/22/627570722.db2.gz WKWRSBVEUDFWCG-UHFFFAOYSA-N 0 0 267.375 3.180 20 10 CGCDRN c1cc(N2CCCC2)ccc1OC[C@H]1CCCOC1 ZINC000769879864 627586531 /nfs/dbraw/zinc/58/65/31/627586531.db2.gz YYLSBPIHFJDJSB-AWEZNQCLSA-N 0 0 261.365 3.092 20 10 CGCDRN c1cc(N2CCCC2)ccc1OC[C@@H]1CCCOC1 ZINC000769879865 627586835 /nfs/dbraw/zinc/58/68/35/627586835.db2.gz YYLSBPIHFJDJSB-CQSZACIVSA-N 0 0 261.365 3.092 20 10 CGCDRN C[C@H](Nc1cnn(C)c1C1CC1)c1cc(F)ccc1O ZINC000769989223 627595649 /nfs/dbraw/zinc/59/56/49/627595649.db2.gz NLCKVDSGLYBTTQ-VIFPVBQESA-N 0 0 275.327 3.315 20 10 CGCDRN CC[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)cc1 ZINC000771706653 627728251 /nfs/dbraw/zinc/72/82/51/627728251.db2.gz QKFWNGQAFZMWHS-ZFWWWQNUSA-N 0 0 289.423 3.225 20 10 CGCDRN Cc1ccc(C)c(COC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000772776339 627820835 /nfs/dbraw/zinc/82/08/35/627820835.db2.gz QSKSWWDDSMSTMB-VURMDHGXSA-N 0 0 298.338 3.471 20 10 CGCDRN C[C@@H](NC(=O)C(C1CC1)C1CC1)c1ccc(N(C)C)cc1 ZINC000773010268 627841230 /nfs/dbraw/zinc/84/12/30/627841230.db2.gz NQKNRKGYJUOQDZ-GFCCVEGCSA-N 0 0 286.419 3.366 20 10 CGCDRN C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(N(C)C)cc1 ZINC000773009783 627841427 /nfs/dbraw/zinc/84/14/27/627841427.db2.gz QZLMGUXCDBURAJ-JTQLQIEISA-N 0 0 291.782 3.225 20 10 CGCDRN C[C@@H](NC(=O)CC1CCC1)c1ccc(N(C)C)cc1 ZINC000773010352 627842168 /nfs/dbraw/zinc/84/21/68/627842168.db2.gz OSJLRYMBATVTSY-GFCCVEGCSA-N 0 0 260.381 3.120 20 10 CGCDRN C[C@H](NC(=O)N1CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773624576 627901404 /nfs/dbraw/zinc/90/14/04/627901404.db2.gz OHKCLBZIMDJHDV-OLZOCXBDSA-N 0 0 275.396 3.008 20 10 CGCDRN CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc21 ZINC000773778460 627914412 /nfs/dbraw/zinc/91/44/12/627914412.db2.gz XXNUBQYPCILEBA-AWEZNQCLSA-N 0 0 297.354 3.498 20 10 CGCDRN C[C@H]([NH2+]CC(C)(C)CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000774263546 627969568 /nfs/dbraw/zinc/96/95/68/627969568.db2.gz AQEUFXYLQWUHQB-QMMMGPOBSA-N 0 0 292.206 3.368 20 10 CGCDRN Cc1cc(N[C@H](C)c2ccccc2O)cc(OCCO)c1 ZINC000774510872 627999790 /nfs/dbraw/zinc/99/97/90/627999790.db2.gz SYMLDKOFGPCJIL-CYBMUJFWSA-N 0 0 287.359 3.245 20 10 CGCDRN Cc1c(NCc2ccccc2O)cnn1CC(C)C ZINC000774824755 628035424 /nfs/dbraw/zinc/03/54/24/628035424.db2.gz XJLFUKVHSKUJMS-UHFFFAOYSA-N 0 0 259.353 3.165 20 10 CGCDRN CCn1cc(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000775701434 628127293 /nfs/dbraw/zinc/12/72/93/628127293.db2.gz VYQXTRCHVOVUSX-UHFFFAOYSA-N 0 0 297.761 3.033 20 10 CGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000776177513 628176596 /nfs/dbraw/zinc/17/65/96/628176596.db2.gz QSEVNSHTZZZOIO-KBPBESRZSA-N 0 0 295.810 3.483 20 10 CGCDRN COc1ccc(NCc2cccc(Cl)c2O)nc1 ZINC000776250008 628184669 /nfs/dbraw/zinc/18/46/69/628184669.db2.gz BWBBGTYCBUNJPF-UHFFFAOYSA-N 0 0 264.712 3.061 20 10 CGCDRN CCN(CC)c1ccc(CNc2ccncc2F)cc1 ZINC000776265165 628187239 /nfs/dbraw/zinc/18/72/39/628187239.db2.gz NPNATQSGCQRHOI-UHFFFAOYSA-N 0 0 273.355 3.101 20 10 CGCDRN Cc1ccc2c(c1)N(Cc1ccccc1O)C[C@@H](C)O2 ZINC000776526823 628217106 /nfs/dbraw/zinc/21/71/06/628217106.db2.gz RBIDBFSWWXXWDX-CYBMUJFWSA-N 0 0 269.344 3.488 20 10 CGCDRN Cc1cccc(N(C)C(=O)/C=C\c2ccc(C)nc2)c1 ZINC000777856313 628304183 /nfs/dbraw/zinc/30/41/83/628304183.db2.gz XJZRKXSWFRQYDO-KTKRTIGZSA-N 0 0 266.344 3.375 20 10 CGCDRN CCN(Cc1ccc(CO)cc1)c1ccc(OC)cc1 ZINC000778947371 628379199 /nfs/dbraw/zinc/37/91/99/628379199.db2.gz LMPNJYOUAUVHMB-UHFFFAOYSA-N 0 0 271.360 3.214 20 10 CGCDRN C[C@@H]1CCN(Cc2c(O)cccc2Cl)C[C@@H]1F ZINC000779151519 628390862 /nfs/dbraw/zinc/39/08/62/628390862.db2.gz ZLKSRUSEQWRQDO-SKDRFNHKSA-N 0 0 257.736 3.226 20 10 CGCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(C)cc1 ZINC000779496869 628415508 /nfs/dbraw/zinc/41/55/08/628415508.db2.gz COSKJFPSFOGIQF-YRNVUSSQSA-N 0 0 297.354 3.473 20 10 CGCDRN C[C@H]1CCN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC000779658037 628419516 /nfs/dbraw/zinc/41/95/16/628419516.db2.gz RNFPKOLMDJITEE-YBJDMEARSA-N 0 0 294.354 3.341 20 10 CGCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)co1 ZINC000780326975 628482118 /nfs/dbraw/zinc/48/21/18/628482118.db2.gz VHTQPEZGQYUNDG-UHFFFAOYSA-N 0 0 298.386 3.459 20 10 CGCDRN Cc1ccccc1C[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000780900991 628523075 /nfs/dbraw/zinc/52/30/75/628523075.db2.gz FNMRZNGPFYFJNY-ZDUSSCGKSA-N 0 0 299.370 3.076 20 10 CGCDRN Clc1cnc(Sc2nnc3n2CCCCC3)s1 ZINC000780906396 628523391 /nfs/dbraw/zinc/52/33/91/628523391.db2.gz MFWXMSKSNHABCL-UHFFFAOYSA-N 0 0 286.813 3.266 20 10 CGCDRN Cc1ccc(C(=O)N2CCC[C@@H]2CC(C)C)c(O)c1O ZINC000780917287 628524164 /nfs/dbraw/zinc/52/41/64/628524164.db2.gz QFEDXNUTOJVXFE-GFCCVEGCSA-N 0 0 277.364 3.057 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCC(C)(C)C1 ZINC000782013781 628610156 /nfs/dbraw/zinc/61/01/56/628610156.db2.gz OZNFMPFZTHTUHJ-LBPRGKRZSA-N 0 0 261.365 3.177 20 10 CGCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1ccc(OC)c(C)c1 ZINC000782227926 628627361 /nfs/dbraw/zinc/62/73/61/628627361.db2.gz BUJICFFLCYENSQ-CQSZACIVSA-N 0 0 293.407 3.071 20 10 CGCDRN CCOc1cccc(CNc2cccc3c2OCO3)c1O ZINC000782379584 628643042 /nfs/dbraw/zinc/64/30/42/628643042.db2.gz ATISCWHAISAYMJ-UHFFFAOYSA-N 0 0 287.315 3.132 20 10 CGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(F)(F)C1 ZINC000782853159 628664610 /nfs/dbraw/zinc/66/46/10/628664610.db2.gz AXHASSJTFWPBLP-UHFFFAOYSA-N 0 0 296.342 3.247 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CC(C)(C)C2)c1 ZINC000783310010 628702437 /nfs/dbraw/zinc/70/24/37/628702437.db2.gz KYRBLZGHDSPIAA-LLVKDONJSA-N 0 0 291.391 3.266 20 10 CGCDRN CC(=O)NCc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000783531474 628722509 /nfs/dbraw/zinc/72/25/09/628722509.db2.gz IBUXLNTZKGTHPB-LBPRGKRZSA-N 0 0 284.359 3.201 20 10 CGCDRN Cc1ccc([C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875122578 634678148 /nfs/dbraw/zinc/67/81/48/634678148.db2.gz NPIFEANLGBNUTR-CYBMUJFWSA-N 0 0 296.370 3.487 20 10 CGCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)[C@@H](C)[C@H](C)O1 ZINC000783736976 628744091 /nfs/dbraw/zinc/74/40/91/628744091.db2.gz GTRPNNIQGPATMV-VWYCJHECSA-N 0 0 269.772 3.043 20 10 CGCDRN Cc1cc(Cl)cc(CN2CCc3ncsc3C2)c1O ZINC000783742981 628744720 /nfs/dbraw/zinc/74/47/20/628744720.db2.gz CVDPLTGPAAVTPF-UHFFFAOYSA-N 0 0 294.807 3.369 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C23CCC(CC2)C3)cc1F ZINC000783943225 628758618 /nfs/dbraw/zinc/75/86/18/628758618.db2.gz VNVLQCSQYFFTRH-UHFFFAOYSA-N 0 0 290.382 3.088 20 10 CGCDRN CN(Cc1ccccc1O)c1nccc2occc21 ZINC000786796927 628964152 /nfs/dbraw/zinc/96/41/52/628964152.db2.gz MZZVIAZYEBEDJD-UHFFFAOYSA-N 0 0 254.289 3.170 20 10 CGCDRN Cc1ccncc1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000875447701 634699471 /nfs/dbraw/zinc/69/94/71/634699471.db2.gz KEUVGOSPIRLUJE-QWHCGFSZSA-N 0 0 299.374 3.217 20 10 CGCDRN COc1ccc(O)c(CN[C@@H](C(C)C)C(F)(F)F)c1 ZINC000787439110 629011960 /nfs/dbraw/zinc/01/19/60/629011960.db2.gz HSWBSCRUFGHTGI-LBPRGKRZSA-N 0 0 277.286 3.077 20 10 CGCDRN CC(C)[C@H](NCc1cc(F)ccc1O)C(F)(F)F ZINC000787438797 629012349 /nfs/dbraw/zinc/01/23/49/629012349.db2.gz GFYCKORJAXQHSW-NSHDSACASA-N 0 0 265.250 3.208 20 10 CGCDRN Cc1cc(C(=O)N2CC(C)C2)c(C)n1-c1cccc(C)c1 ZINC000788195662 629040997 /nfs/dbraw/zinc/04/09/97/629040997.db2.gz NHKRFIGCCTUUPT-UHFFFAOYSA-N 0 0 282.387 3.494 20 10 CGCDRN CN(C[C@H]1CCC2(CCCC2)O1)c1ccc2c(c1)OCO2 ZINC000788486469 629058804 /nfs/dbraw/zinc/05/88/04/629058804.db2.gz WYEFKFXUYLZQOV-CQSZACIVSA-N 0 0 289.375 3.343 20 10 CGCDRN CSC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000788605458 629068261 /nfs/dbraw/zinc/06/82/61/629068261.db2.gz KJBSTKCOHYFISU-QMMMGPOBSA-N 0 0 273.348 3.217 20 10 CGCDRN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788757367 629079734 /nfs/dbraw/zinc/07/97/34/629079734.db2.gz LDNLDKZTKWTVFZ-GUBZILKMSA-N 0 0 291.313 3.485 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2CC(C)(C)C2)cc1 ZINC000788880010 629088450 /nfs/dbraw/zinc/08/84/50/629088450.db2.gz IDHKIPVIVQVCAX-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOCC1CCC1 ZINC000790990002 629247628 /nfs/dbraw/zinc/24/76/28/629247628.db2.gz HNNCANXHJGBUHJ-UHFFFAOYSA-N 0 0 287.762 3.091 20 10 CGCDRN CC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H]1CC1(C)C ZINC000875675345 634721185 /nfs/dbraw/zinc/72/11/85/634721185.db2.gz SSJHJSICXZMTJR-ZIAGYGMSSA-N 0 0 288.391 3.242 20 10 CGCDRN CCO[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862212290 629323649 /nfs/dbraw/zinc/32/36/49/629323649.db2.gz NUSAREOFOZXFCW-ZDUSSCGKSA-N 0 0 298.377 3.032 20 10 CGCDRN Oc1cccc(Br)c1CN1CCC=C(F)C1 ZINC000862303667 629342787 /nfs/dbraw/zinc/34/27/87/629342787.db2.gz WFRQBBBCAGUWGC-UHFFFAOYSA-N 0 0 286.144 3.214 20 10 CGCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000792171093 629344048 /nfs/dbraw/zinc/34/40/48/629344048.db2.gz YCYTUOKUXQFPCZ-BDAKNGLRSA-N 0 0 257.736 3.415 20 10 CGCDRN C[C@@H](NC(=O)NC(C)(C)C(F)F)c1ccc(N(C)C)cc1 ZINC000792178492 629344772 /nfs/dbraw/zinc/34/47/72/629344772.db2.gz JCPXXXCPQCAREH-SNVBAGLBSA-N 0 0 299.365 3.157 20 10 CGCDRN CC(C)CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000862481618 629385243 /nfs/dbraw/zinc/38/52/43/629385243.db2.gz YZMGBUYRTSTOSP-NSHDSACASA-N 0 0 289.778 3.071 20 10 CGCDRN CC[C@H](C)C[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792961410 629396946 /nfs/dbraw/zinc/39/69/46/629396946.db2.gz WRRIRRSDNMJMSZ-RYUDHWBXSA-N 0 0 294.395 3.025 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000862754978 629428830 /nfs/dbraw/zinc/42/88/30/629428830.db2.gz MNNASGLYBUJXLO-INIZCTEOSA-N 0 0 259.349 3.063 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)Cc2cc(C)cc(C)c2)c1 ZINC000862754562 629429242 /nfs/dbraw/zinc/42/92/42/629429242.db2.gz ZYLZUTPIVQVPND-UHFFFAOYSA-N 0 0 283.371 3.176 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)C[C@H](C)CC(C)C)c1 ZINC000862758466 629430733 /nfs/dbraw/zinc/43/07/33/629430733.db2.gz AMGATXXIAQZNSV-CYBMUJFWSA-N 0 0 263.381 3.389 20 10 CGCDRN Cc1ccc(C(=O)N(C)[C@H]2CCC(C)(C)C2)c(O)c1O ZINC000794274659 629528494 /nfs/dbraw/zinc/52/84/94/629528494.db2.gz MIDUGENYIUETSI-NSHDSACASA-N 0 0 277.364 3.057 20 10 CGCDRN CC(C)c1nocc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000863656655 629634891 /nfs/dbraw/zinc/63/48/91/629634891.db2.gz SPQUDTZZHOMZQK-UHFFFAOYSA-N 0 0 284.319 3.021 20 10 CGCDRN CC[C@@H]1C[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836405281 634757808 /nfs/dbraw/zinc/75/78/08/634757808.db2.gz BZJDLQNLYTUHGJ-GUTXKFCHSA-N 0 0 289.423 3.159 20 10 CGCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)cc2)c(Cl)c1 ZINC000863988551 629721749 /nfs/dbraw/zinc/72/17/49/629721749.db2.gz UXWFJBHYYLJOKG-UHFFFAOYSA-N 0 0 290.750 3.065 20 10 CGCDRN C[C@H]1CSC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796482029 629788837 /nfs/dbraw/zinc/78/88/37/629788837.db2.gz JXOLVIYQZRHKIH-XVKPBYJWSA-N 0 0 275.776 3.026 20 10 CGCDRN CC[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796716680 629818863 /nfs/dbraw/zinc/81/88/63/629818863.db2.gz MQXDDPMOHOTDEX-NSHDSACASA-N 0 0 295.276 3.151 20 10 CGCDRN C[C@@H](NC(=O)NC1CCCCC1)c1ccccc1O ZINC000864424962 629827850 /nfs/dbraw/zinc/82/78/50/629827850.db2.gz RIIDUJNMRXKYOW-LLVKDONJSA-N 0 0 262.353 3.085 20 10 CGCDRN CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796796740 629836243 /nfs/dbraw/zinc/83/62/43/629836243.db2.gz RBSGONUZSZFWHO-HUBLWGQQSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000796931206 629860001 /nfs/dbraw/zinc/86/00/01/629860001.db2.gz ODDZVTGJFIAXLO-JMSVASOKSA-N 0 0 281.371 3.387 20 10 CGCDRN CC[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(F)cc1[O-] ZINC000796945350 629863536 /nfs/dbraw/zinc/86/35/36/629863536.db2.gz PMFNPCCVXLYELL-UONOGXRCSA-N 0 0 295.379 3.367 20 10 CGCDRN Nc1ccc(OCc2cn(CC3CCCCC3)nn2)cc1 ZINC000864625998 629880190 /nfs/dbraw/zinc/88/01/90/629880190.db2.gz XISYKFPIHOOMFV-UHFFFAOYSA-N 0 0 286.379 3.020 20 10 CGCDRN CCCN1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000797115074 629890895 /nfs/dbraw/zinc/89/08/95/629890895.db2.gz LTROTAAQAQQYDL-GOEBONIOSA-N 0 0 294.414 3.446 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000836557812 634776395 /nfs/dbraw/zinc/77/63/95/634776395.db2.gz LAGVXQSCZWEEPR-CHWSQXEVSA-N 0 0 276.380 3.018 20 10 CGCDRN CC1=C[C@H](C)C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000797604753 629970313 /nfs/dbraw/zinc/97/03/13/629970313.db2.gz IKWAQTXGBNXKHU-JTQLQIEISA-N 0 0 251.757 3.444 20 10 CGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000797905868 630000671 /nfs/dbraw/zinc/00/06/71/630000671.db2.gz RDFPXZDGXCRKKG-YPMHNXCESA-N 0 0 296.208 3.433 20 10 CGCDRN CCc1cc(NCc2c(O)cccc2Br)no1 ZINC000865291265 630055474 /nfs/dbraw/zinc/05/54/74/630055474.db2.gz UZZJBSRNEGAANJ-UHFFFAOYSA-N 0 0 297.152 3.317 20 10 CGCDRN Cc1cc(O)c(CNc2nnc([C@@H]3C[C@H]3C)o2)c(Cl)c1 ZINC000865294999 630056829 /nfs/dbraw/zinc/05/68/29/630056829.db2.gz WLDPXAUSHXIXPQ-RKDXNWHRSA-N 0 0 293.754 3.473 20 10 CGCDRN COc1ccc(O)c(CNC(=O)NCCCC(C)(C)C)c1 ZINC000120491055 630062465 /nfs/dbraw/zinc/06/24/65/630062465.db2.gz JOMWBHXEHZRSMR-UHFFFAOYSA-N 0 0 294.395 3.026 20 10 CGCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798963742 630130861 /nfs/dbraw/zinc/13/08/61/630130861.db2.gz IWDKXHCDPSAKEG-LBPRGKRZSA-N 0 0 288.778 3.430 20 10 CGCDRN CCOc1ccc(N(CC)CC2(CC(=O)OC)CC2)cc1 ZINC000799307962 630165249 /nfs/dbraw/zinc/16/52/49/630165249.db2.gz YLMQKNKREIHCPK-UHFFFAOYSA-N 0 0 291.391 3.255 20 10 CGCDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c1O ZINC000808709470 630297011 /nfs/dbraw/zinc/29/70/11/630297011.db2.gz WRPFKWACVNNMJW-UWVGGRQHSA-N 0 0 279.771 3.489 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCCCCC1 ZINC000836830350 634810357 /nfs/dbraw/zinc/81/03/57/634810357.db2.gz VWSYTCYCPZQJTE-NTMALXAHSA-N 0 0 289.375 3.198 20 10 CGCDRN CSc1cnc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000804392672 630525691 /nfs/dbraw/zinc/52/56/91/630525691.db2.gz QNDUIEQDSBKMNT-UHFFFAOYSA-N 0 0 292.383 3.016 20 10 CGCDRN CC[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc(Cl)c1[O-] ZINC000806137714 630546684 /nfs/dbraw/zinc/54/66/84/630546684.db2.gz NAWSCTMKWHRKCK-GFCCVEGCSA-N 0 0 265.744 3.010 20 10 CGCDRN CC[C@H]([NH2+]CCC1(O)CCC1)c1cccc(Cl)c1[O-] ZINC000806164856 630552469 /nfs/dbraw/zinc/55/24/69/630552469.db2.gz DQMVUUYRBITSGP-ZDUSSCGKSA-N 0 0 283.799 3.391 20 10 CGCDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000808724796 630671220 /nfs/dbraw/zinc/67/12/20/630671220.db2.gz JLLFYPKVJIGBLF-NSHDSACASA-N 0 0 296.367 3.014 20 10 CGCDRN Cc1noc([C@@H]2CCCN2Cc2cc(Cl)ccc2O)n1 ZINC000809721301 630791362 /nfs/dbraw/zinc/79/13/62/630791362.db2.gz PGZQEDDXXNXTNQ-LBPRGKRZSA-N 0 0 293.754 3.074 20 10 CGCDRN CN(C)c1ccc(OCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000810001338 630826217 /nfs/dbraw/zinc/82/62/17/630826217.db2.gz BTXDEZZTXVIYEJ-UHFFFAOYSA-N 0 0 290.294 3.379 20 10 CGCDRN CN(C)c1ccc(OCc2cccc3nsnc32)cc1 ZINC000810001381 630826414 /nfs/dbraw/zinc/82/64/14/630826414.db2.gz DOJRBGVJWJYIML-UHFFFAOYSA-N 0 0 285.372 3.336 20 10 CGCDRN Cc1c(Cl)nccc1NC(=O)NCc1ccccc1O ZINC000810291003 630865805 /nfs/dbraw/zinc/86/58/05/630865805.db2.gz RJFGRRSMEUAUGY-UHFFFAOYSA-N 0 0 291.738 3.071 20 10 CGCDRN CC[C@@H]([NH2+]CCC1(COC)CC1)c1ccc(F)cc1[O-] ZINC000842891316 635505203 /nfs/dbraw/zinc/50/52/03/635505203.db2.gz SYHWAKWDIQDIML-CQSZACIVSA-N 0 0 281.371 3.389 20 10 CGCDRN CC[C@@H](C)CONC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000813719160 631456273 /nfs/dbraw/zinc/45/62/73/631456273.db2.gz LRKOLMOSRIACFN-CHWSQXEVSA-N 0 0 293.411 3.091 20 10 CGCDRN CC[C@H]1CC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000814178825 631539662 /nfs/dbraw/zinc/53/96/62/631539662.db2.gz DWMSGCZRKLZDDR-JTQLQIEISA-N 0 0 270.170 3.139 20 10 CGCDRN Cc1cc(CN2CCc3ncsc3C2)ccc1N(C)C ZINC000815099351 631716831 /nfs/dbraw/zinc/71/68/31/631716831.db2.gz HDFXTAXBDNQMQI-UHFFFAOYSA-N 0 0 287.432 3.076 20 10 CGCDRN C[C@H](C(=O)NCCCSc1nccs1)C(C)(F)F ZINC000815590992 631802552 /nfs/dbraw/zinc/80/25/52/631802552.db2.gz RRDNEJNCTVPDLV-MRVPVSSYSA-N 0 0 294.392 3.033 20 10 CGCDRN NC(=O)c1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816479738 631987782 /nfs/dbraw/zinc/98/77/82/631987782.db2.gz SPSYXLNWMMRIES-UHFFFAOYSA-N 0 0 292.338 3.256 20 10 CGCDRN C[C@H]1C[C@H](C)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514680 632000394 /nfs/dbraw/zinc/00/03/94/632000394.db2.gz FJGZLCLVDUSYRG-IUCAKERBSA-N 0 0 257.736 3.415 20 10 CGCDRN CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816528254 632004034 /nfs/dbraw/zinc/00/40/34/632004034.db2.gz SYXNRBZIWTVLJI-LBPRGKRZSA-N 0 0 257.736 3.415 20 10 CGCDRN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549103 632008626 /nfs/dbraw/zinc/00/86/26/632008626.db2.gz DKVIELYNZMKFAH-LKFCYVNXSA-N 0 0 289.778 3.071 20 10 CGCDRN Oc1c(CN2CCO[C@H](C(F)F)C2)ccc2ccccc21 ZINC000816600329 632021097 /nfs/dbraw/zinc/02/10/97/632021097.db2.gz TVWSRSCRDXMWRA-AWEZNQCLSA-N 0 0 293.313 3.011 20 10 CGCDRN C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816609310 632022828 /nfs/dbraw/zinc/02/28/28/632022828.db2.gz XMBUIURXGDZJEI-CPCISQLKSA-N 0 0 275.776 3.026 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](c2ccccc2)C1 ZINC000817106884 632082345 /nfs/dbraw/zinc/08/23/45/632082345.db2.gz NTDOLQLYQJPLCE-AWEZNQCLSA-N 0 0 297.354 3.118 20 10 CGCDRN Cc1c(C)n(C)c2ccc(OC(=O)/C=C\[C@@H]3CCOC3)cc12 ZINC000817760605 632223121 /nfs/dbraw/zinc/22/31/21/632223121.db2.gz BGDGRHLICSHECT-HJHHMULASA-N 0 0 299.370 3.293 20 10 CGCDRN Cc1cnn(C)c1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762031 632223178 /nfs/dbraw/zinc/22/31/78/632223178.db2.gz OFNDVHSVERPMMS-UHFFFAOYSA-N 0 0 297.358 3.056 20 10 CGCDRN CCOCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760981 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CCOc1cccc(CNc2cc(C)cc(N)c2)c1O ZINC000873217381 634287413 /nfs/dbraw/zinc/28/74/13/634287413.db2.gz KOBKTPZQDPEJSM-UHFFFAOYSA-N 0 0 272.348 3.294 20 10 CGCDRN CN(C)c1ccc(/C=C\CNc2cnn(C)c2C2CC2)cc1 ZINC000835047736 634334101 /nfs/dbraw/zinc/33/41/01/634334101.db2.gz VNBJJWXMBWLDFL-PLNGDYQASA-N 0 0 296.418 3.489 20 10 CGCDRN CCC(C)(C)OCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000835085110 634349717 /nfs/dbraw/zinc/34/97/17/634349717.db2.gz LNTRVGWYRSORDH-UHFFFAOYSA-N 0 0 289.778 3.480 20 10 CGCDRN CC(C)[C@H](C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000837302850 634881681 /nfs/dbraw/zinc/88/16/81/634881681.db2.gz JSAKLLKDIZKNJK-KRWDZBQOSA-N 0 0 282.387 3.325 20 10 CGCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(N)cc2)o1 ZINC000837303313 634882904 /nfs/dbraw/zinc/88/29/04/634882904.db2.gz GFPRMMFLVVVHBE-WBMJQRKESA-N 0 0 298.386 3.234 20 10 CGCDRN CN(C)c1ccc(CNC(=O)C2CC(C(C)(C)C)C2)cc1 ZINC000837318230 634885172 /nfs/dbraw/zinc/88/51/72/634885172.db2.gz XMJZQEPZTAICMK-UHFFFAOYSA-N 0 0 288.435 3.441 20 10 CGCDRN Cc1cccc(C[N@@H+](C)Cc2c(C)cccc2O)n1 ZINC000876765051 634895835 /nfs/dbraw/zinc/89/58/35/634895835.db2.gz YOBBTDIHDVLSSK-UHFFFAOYSA-N 0 0 256.349 3.036 20 10 CGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC1=CCCCC1 ZINC000837587227 634942797 /nfs/dbraw/zinc/94/27/97/634942797.db2.gz JJSWAQFRRDZWKF-VQHVLOKHSA-N 0 0 274.316 3.155 20 10 CGCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCC(F)(F)C1 ZINC000837589458 634943645 /nfs/dbraw/zinc/94/36/45/634943645.db2.gz ZRRAYWYBIBDUEQ-CJHWANRJSA-N 0 0 298.285 3.090 20 10 CGCDRN CC(C)CCC[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126301591 634955617 /nfs/dbraw/zinc/95/56/17/634955617.db2.gz YPTBXVKTEPKJFF-LLVKDONJSA-N 0 0 265.353 3.042 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@H]2C)cc1 ZINC000837726537 634974619 /nfs/dbraw/zinc/97/46/19/634974619.db2.gz LIFBKNYABSUFMB-KBPBESRZSA-N 0 0 289.423 3.083 20 10 CGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@H]2C)cc1 ZINC000837726539 634974805 /nfs/dbraw/zinc/97/48/05/634974805.db2.gz LIFBKNYABSUFMB-UONOGXRCSA-N 0 0 289.423 3.083 20 10 CGCDRN C[C@H]1CCCC[C@H]1CC(=O)N(C)c1ccc(N)cc1 ZINC000877078186 634975248 /nfs/dbraw/zinc/97/52/48/634975248.db2.gz HLXVVEHBKGAPKZ-STQMWFEESA-N 0 0 260.381 3.448 20 10 CGCDRN COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078565 634975911 /nfs/dbraw/zinc/97/59/11/634975911.db2.gz UYMJNFKHLVDTPX-ZDUSSCGKSA-N 0 0 298.386 3.434 20 10 CGCDRN COC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000877080897 634977242 /nfs/dbraw/zinc/97/72/42/634977242.db2.gz RBKIROUJHSYNQG-LBPRGKRZSA-N 0 0 297.301 3.049 20 10 CGCDRN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877141985 635000270 /nfs/dbraw/zinc/00/02/70/635000270.db2.gz OBGBCIYUMMUEIR-STQMWFEESA-N 0 0 299.361 3.354 20 10 CGCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc(F)c1F ZINC000877140577 635000412 /nfs/dbraw/zinc/00/04/12/635000412.db2.gz WOLBVXVJERIJSL-CQSZACIVSA-N 0 0 297.345 3.061 20 10 CGCDRN C/C=C(/C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840554468 635021816 /nfs/dbraw/zinc/02/18/16/635021816.db2.gz BLJDZHAOESHYNE-YRBHFNIASA-N 0 0 274.408 3.074 20 10 CGCDRN CC/C(C)=C/C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840556597 635022457 /nfs/dbraw/zinc/02/24/57/635022457.db2.gz WDARVBBAIFFGEC-VOMSXAGXSA-N 0 0 288.435 3.465 20 10 CGCDRN Cc1ccc(CN[C@@H](C(C)C)C(F)(F)F)c(O)c1 ZINC000877468152 635048971 /nfs/dbraw/zinc/04/89/71/635048971.db2.gz ZURFDEAOOLKJCG-LBPRGKRZSA-N 0 0 261.287 3.377 20 10 CGCDRN Cc1cccc2c1N[C@H](c1ccc(N(C)C)cc1C)NC2=O ZINC000840786584 635052626 /nfs/dbraw/zinc/05/26/26/635052626.db2.gz AJHDSRSPNHYUPH-KRWDZBQOSA-N 0 0 295.386 3.224 20 10 CGCDRN Cc1ccc([C@@H](C)Nc2cccc3c2CN(C)C3=O)c(O)c1 ZINC000840857766 635066493 /nfs/dbraw/zinc/06/64/93/635066493.db2.gz UMXPDAYMZBDVDL-GFCCVEGCSA-N 0 0 296.370 3.459 20 10 CGCDRN C[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1csnn1 ZINC000840885896 635074106 /nfs/dbraw/zinc/07/41/06/635074106.db2.gz HXFMHMABKKDGAU-YUMQZZPRSA-N 0 0 283.784 3.309 20 10 CGCDRN C[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1csnn1 ZINC000840885893 635074318 /nfs/dbraw/zinc/07/43/18/635074318.db2.gz HXFMHMABKKDGAU-HTQZYQBOSA-N 0 0 283.784 3.309 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(N(C)C)cn1 ZINC000840935710 635084492 /nfs/dbraw/zinc/08/44/92/635084492.db2.gz AZOYILKYAUSIMO-UHFFFAOYSA-N 0 0 284.407 3.134 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1OCO2 ZINC000840938033 635085579 /nfs/dbraw/zinc/08/55/79/635085579.db2.gz WRLHWANDZJSOCR-UHFFFAOYSA-N 0 0 284.359 3.402 20 10 CGCDRN Cc1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1 ZINC000877560262 635090686 /nfs/dbraw/zinc/09/06/86/635090686.db2.gz LRMIPLLKKFQUGE-HNNXBMFYSA-N 0 0 285.391 3.017 20 10 CGCDRN CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H](O)C(C)C ZINC000840967567 635096235 /nfs/dbraw/zinc/09/62/35/635096235.db2.gz HRWZYCVZGYOPRK-FZMZJTMJSA-N 0 0 289.778 3.070 20 10 CGCDRN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)cc1 ZINC000840996655 635101007 /nfs/dbraw/zinc/10/10/07/635101007.db2.gz GIRPNUHNUVSMOG-AWEZNQCLSA-N 0 0 292.423 3.218 20 10 CGCDRN CC(C)(C)CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000840998871 635102011 /nfs/dbraw/zinc/10/20/11/635102011.db2.gz ZWFMJTNVJLZIJY-GFCCVEGCSA-N 0 0 299.798 3.415 20 10 CGCDRN Cc1c(NCc2c(C)cccc2O)n[nH]c1C(C)C ZINC000877605422 635108720 /nfs/dbraw/zinc/10/87/20/635108720.db2.gz CMZWNQHLNUJSFL-UHFFFAOYSA-N 0 0 259.353 3.468 20 10 CGCDRN CCOc1cc(CNc2ccc(N)cc2)ccc1OC ZINC000841040272 635112207 /nfs/dbraw/zinc/11/22/07/635112207.db2.gz NBJQRSOTYYXRPA-UHFFFAOYSA-N 0 0 272.348 3.288 20 10 CGCDRN [O-]c1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)ccc(F)c1F ZINC000877620416 635116849 /nfs/dbraw/zinc/11/68/49/635116849.db2.gz HGQRFELHHANXDD-CABZTGNLSA-N 0 0 253.292 3.045 20 10 CGCDRN Nc1ccc(NC(=O)NC[C@@H]2CCc3ccccc3C2)cc1 ZINC000841296242 635148279 /nfs/dbraw/zinc/14/82/79/635148279.db2.gz RMHRQZHTLAKEFM-CYBMUJFWSA-N 0 0 295.386 3.195 20 10 CGCDRN CC[C@H](C)n1ncc(NC(=O)Nc2ccc(N)cc2)c1C ZINC000841297328 635148459 /nfs/dbraw/zinc/14/84/59/635148459.db2.gz OQQXULOLDBVVKL-JTQLQIEISA-N 0 0 287.367 3.389 20 10 CGCDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841296474 635148915 /nfs/dbraw/zinc/14/89/15/635148915.db2.gz SZKCEWKXGJTLFL-LRDDRELGSA-N 0 0 296.374 3.279 20 10 CGCDRN COCc1csc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877702786 635153874 /nfs/dbraw/zinc/15/38/74/635153874.db2.gz HPMRGBPELSYGAP-UHFFFAOYSA-N 0 0 275.373 3.116 20 10 CGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000877727596 635165158 /nfs/dbraw/zinc/16/51/58/635165158.db2.gz CMVSVLQFQGRYCD-CYBMUJFWSA-N 0 0 295.810 3.342 20 10 CGCDRN CO[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CC(C)C ZINC000841755015 635229143 /nfs/dbraw/zinc/22/91/43/635229143.db2.gz FNCPLJJIVYHJRD-PWSUYJOCSA-N 0 0 287.350 3.382 20 10 CGCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841761235 635232722 /nfs/dbraw/zinc/23/27/22/635232722.db2.gz XIRPUGZUTJGZJE-ZETOZRRWSA-N 0 0 294.826 3.179 20 10 CGCDRN CCn1ncc(NCc2cccc(Cl)c2O)c1C ZINC000877832642 635233100 /nfs/dbraw/zinc/23/31/00/635233100.db2.gz OTZISROLDHNSOG-UHFFFAOYSA-N 0 0 265.744 3.183 20 10 CGCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)[C@@H]2C)cc1OC ZINC000842048844 635265396 /nfs/dbraw/zinc/26/53/96/635265396.db2.gz LIVYMMDSFQJLDU-AXFHLTTASA-N 0 0 294.351 3.093 20 10 CGCDRN Cc1conc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000877976098 635302953 /nfs/dbraw/zinc/30/29/53/635302953.db2.gz FVLZQVRVBKSWED-UHFFFAOYSA-N 0 0 287.407 3.460 20 10 CGCDRN COc1ccc(N(C)C[C@@H]2CCO[C@H]2C)cc1Cl ZINC000878187398 635400608 /nfs/dbraw/zinc/40/06/08/635400608.db2.gz YMPPDOKMBORHJC-QWRGUYRKSA-N 0 0 269.772 3.210 20 10 CGCDRN COc1ccc(N(C)C[C@H]2C[C@@H](OC)C2)cc1Cl ZINC000878186338 635401358 /nfs/dbraw/zinc/40/13/58/635401358.db2.gz JLNDLJAUZKFVHI-KLPPZKSPSA-N 0 0 269.772 3.210 20 10 CGCDRN COc1ccc(N2CC[C@@H](COC(=O)C(C)(C)C)C2)cc1 ZINC000842878861 635504774 /nfs/dbraw/zinc/50/47/74/635504774.db2.gz DPGQXVQHBSBCET-CYBMUJFWSA-N 0 0 291.391 3.111 20 10 CGCDRN Nc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cn1 ZINC000843063341 635555104 /nfs/dbraw/zinc/55/51/04/635555104.db2.gz RVTVTDPQXQXVIX-UHFFFAOYSA-N 0 0 297.402 3.314 20 10 CGCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccccc1O ZINC000878559867 635556959 /nfs/dbraw/zinc/55/69/59/635556959.db2.gz VGXXTXSSLXLRLT-CZUORRHYSA-N 0 0 261.365 3.225 20 10 CGCDRN Cc1ccc(O)c(CN2CCNc3ccccc32)c1 ZINC000843124760 635561113 /nfs/dbraw/zinc/56/11/13/635561113.db2.gz NBIVBDGWSYHXAO-UHFFFAOYSA-N 0 0 254.333 3.133 20 10 CGCDRN C[C@@H]1CC[C@H](Cc2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158662 635587485 /nfs/dbraw/zinc/58/74/85/635587485.db2.gz FZCZPHRODPMPHL-YPMHNXCESA-N 0 0 271.364 3.221 20 10 CGCDRN CC[C@@H](C)C[C@@H](NCc1cc(C)c(C)cc1O)C(=O)OC ZINC000843416093 635662788 /nfs/dbraw/zinc/66/27/88/635662788.db2.gz OJKXIMTUABSHHY-IAQYHMDHSA-N 0 0 293.407 3.076 20 10 CGCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)c2c(O)cccc21 ZINC000843497919 635681125 /nfs/dbraw/zinc/68/11/25/635681125.db2.gz CZOSOJQPHSUILA-GFCCVEGCSA-N 0 0 296.370 3.057 20 10 CGCDRN Cc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648599 635825517 /nfs/dbraw/zinc/82/55/17/635825517.db2.gz VQVGVRXBLZXJRC-CQSZACIVSA-N 0 0 298.386 3.380 20 10 CGCDRN C[C@@H](NC(=O)Nc1cc2c(cn1)CCC2)c1ccccc1O ZINC000879675452 635831937 /nfs/dbraw/zinc/83/19/37/635831937.db2.gz MSPSDAWENWKXFL-LLVKDONJSA-N 0 0 297.358 3.159 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC=CCC1 ZINC000844924790 635986446 /nfs/dbraw/zinc/98/64/46/635986446.db2.gz BDCFANMSXKHHQW-NSHDSACASA-N 0 0 294.782 3.201 20 10 CGCDRN CC(C)[C@@H](C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000845003171 635996231 /nfs/dbraw/zinc/99/62/31/635996231.db2.gz NGMFMSCMTAFJTJ-JTQLQIEISA-N 0 0 284.787 3.137 20 10 CGCDRN CC(=O)C[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000129051089 636123887 /nfs/dbraw/zinc/12/38/87/636123887.db2.gz XZZVBYCNHRHKJP-LBPRGKRZSA-N 0 0 298.386 3.192 20 10 CGCDRN COc1cccc([C@H](C)Nc2ccc3c(c2)OCO3)c1O ZINC000846160413 636151075 /nfs/dbraw/zinc/15/10/75/636151075.db2.gz VKPJOPBEYXQEME-JTQLQIEISA-N 0 0 287.315 3.303 20 10 CGCDRN CC1=C(C(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846477869 636188754 /nfs/dbraw/zinc/18/87/54/636188754.db2.gz WCPXNPKVZKRZDF-UHFFFAOYSA-N 0 0 265.740 3.162 20 10 CGCDRN CCCC(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846476385 636188943 /nfs/dbraw/zinc/18/89/43/636188943.db2.gz LCKWGLWKKJACLJ-UHFFFAOYSA-N 0 0 269.772 3.488 20 10 CGCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCc2ccccc21 ZINC000846661397 636214450 /nfs/dbraw/zinc/21/44/50/636214450.db2.gz JSHAOMXOROXJHU-LLVKDONJSA-N 0 0 287.384 3.256 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccccc2F)cc1 ZINC000212378314 636349191 /nfs/dbraw/zinc/34/91/91/636349191.db2.gz VANVMJXLUJQZNA-XFXZXTDPSA-N 0 0 298.361 3.221 20 10 CGCDRN C[C@H](NC(=O)NC1(C)CC=CC1)c1ccc(N(C)C)cc1 ZINC000847356453 636382969 /nfs/dbraw/zinc/38/29/69/636382969.db2.gz RXDXOHZOXWBHHF-ZDUSSCGKSA-N 0 0 287.407 3.222 20 10 CGCDRN CN(C)c1ccc(CNC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000213609143 636478482 /nfs/dbraw/zinc/47/84/82/636478482.db2.gz CBQLQHMAHKLWEZ-FLIBITNWSA-N 0 0 298.361 3.221 20 10 CGCDRN CN(C)c1ccc(OCc2cnc(C3CC3)o2)cc1 ZINC000882988842 636491893 /nfs/dbraw/zinc/49/18/93/636491893.db2.gz KDBLCMLIZYPUAH-UHFFFAOYSA-N 0 0 258.321 3.197 20 10 CGCDRN COC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCCC1 ZINC000883091503 636538733 /nfs/dbraw/zinc/53/87/33/636538733.db2.gz PEAWYSPPAJRBRT-UHFFFAOYSA-N 0 0 285.334 3.109 20 10 CGCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1CC1CCCC1 ZINC000848356733 636562953 /nfs/dbraw/zinc/56/29/53/636562953.db2.gz ZEALQXQZJPOETO-CYBMUJFWSA-N 0 0 289.375 3.283 20 10 CGCDRN C[C@]1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1(F)F ZINC000883174506 636565909 /nfs/dbraw/zinc/56/59/09/636565909.db2.gz LXDIRDWKNQVRTA-LBPRGKRZSA-N 0 0 277.261 3.195 20 10 CGCDRN COc1ccnc(CN(C)c2ccc(OC)c(Cl)c2)c1 ZINC000131445771 636658323 /nfs/dbraw/zinc/65/83/23/636658323.db2.gz MTFMTEQMPHWIHX-UHFFFAOYSA-N 0 0 292.766 3.389 20 10 CGCDRN Cc1ccc([C@@H](C)NC2(c3ncccn3)CCC2)c(O)c1 ZINC000883311664 636662554 /nfs/dbraw/zinc/66/25/54/636662554.db2.gz IJHHWHBBHSUGBA-CYBMUJFWSA-N 0 0 283.375 3.221 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cc(F)cc(F)c1[O-] ZINC000883356982 636699004 /nfs/dbraw/zinc/69/90/04/636699004.db2.gz AAZJZROCZMPXRM-ZYHUDNBSSA-N 0 0 297.345 3.423 20 10 CGCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)oc1C ZINC000132342890 636802788 /nfs/dbraw/zinc/80/27/88/636802788.db2.gz YWNWWTYRGYBVAH-UHFFFAOYSA-N 0 0 286.375 3.235 20 10 CGCDRN CCN(Cc1c(O)cccc1Cl)CC(F)(F)F ZINC000132521123 636817500 /nfs/dbraw/zinc/81/75/00/636817500.db2.gz XEDFGAGDBLSJPV-UHFFFAOYSA-N 0 0 267.678 3.430 20 10 CGCDRN CC[C@@H](C)NC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849998335 636923979 /nfs/dbraw/zinc/92/39/79/636923979.db2.gz DPGIQSBFCSCVNW-RQJHMYQMSA-N 0 0 278.830 3.192 20 10 CGCDRN CC(C)c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000133789487 636977178 /nfs/dbraw/zinc/97/71/78/636977178.db2.gz LPHWNLFJPNTOCK-UHFFFAOYSA-N 0 0 269.344 3.446 20 10 CGCDRN Oc1ccccc1CN1CCCOc2ccccc21 ZINC000133950592 636989794 /nfs/dbraw/zinc/98/97/94/636989794.db2.gz QIPKPXCCINCGQZ-UHFFFAOYSA-N 0 0 255.317 3.181 20 10 CGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000850576097 637130824 /nfs/dbraw/zinc/13/08/24/637130824.db2.gz GZSLCKRTQKVXPW-SNVBAGLBSA-N 0 0 277.364 3.018 20 10 CGCDRN Nc1ccc(CNC(=O)C2CCC(C3CC3)CC2)cc1 ZINC000850711905 637135396 /nfs/dbraw/zinc/13/53/96/637135396.db2.gz SSJIVEGLLXTBDG-UHFFFAOYSA-N 0 0 272.392 3.101 20 10 CGCDRN CN(C(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 ZINC000216262886 637137608 /nfs/dbraw/zinc/13/76/08/637137608.db2.gz KADXNMDMKJVOLW-UHFFFAOYSA-N 0 0 268.307 3.057 20 10 CGCDRN Oc1cccc(Cl)c1CNCc1cc(C2CC2)no1 ZINC000886272701 637477619 /nfs/dbraw/zinc/47/76/19/637477619.db2.gz ZGIKFMXBAJTALU-UHFFFAOYSA-N 0 0 278.739 3.201 20 10 CGCDRN CCOc1ccc(N(CC)Cc2cc(OC)no2)cc1 ZINC000851830394 637516359 /nfs/dbraw/zinc/51/63/59/637516359.db2.gz UJCALRPMEYCOIC-UHFFFAOYSA-N 0 0 276.336 3.108 20 10 CGCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)nc(C)n1 ZINC000851883291 637530735 /nfs/dbraw/zinc/53/07/35/637530735.db2.gz DFQMTRMYOCAJEZ-UHFFFAOYSA-N 0 0 297.402 3.445 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1c([O-])cccc1F ZINC000886522736 637550721 /nfs/dbraw/zinc/55/07/21/637550721.db2.gz PZXWGYKLXMXBRG-IAQYHMDHSA-N 0 0 281.371 3.123 20 10 CGCDRN C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1c([O-])cccc1F ZINC000886523248 637551646 /nfs/dbraw/zinc/55/16/46/637551646.db2.gz ZHDJQDVZMFCELJ-GFCCVEGCSA-N 0 0 288.366 3.448 20 10 CGCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1O ZINC000886520739 637551810 /nfs/dbraw/zinc/55/18/10/637551810.db2.gz LTRQPFJAHRIVCN-JTQLQIEISA-N 0 0 291.322 3.096 20 10 CGCDRN Cc1ncsc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886524219 637553109 /nfs/dbraw/zinc/55/31/09/637553109.db2.gz GJPDMHDRIKROIA-SECBINFHSA-N 0 0 266.341 3.147 20 10 CGCDRN COC[C@H](N[C@@H](C)c1c(O)cccc1F)c1ccc(C)o1 ZINC000886534823 637560734 /nfs/dbraw/zinc/56/07/34/637560734.db2.gz PEDDAPTUOJLQKG-AAEUAGOBSA-N 0 0 293.338 3.471 20 10 CGCDRN CCC(O)(CC)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886599374 637598225 /nfs/dbraw/zinc/59/82/25/637598225.db2.gz XNDBWLQFEBVFDK-NSHDSACASA-N 0 0 269.360 3.123 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1c([O-])cccc1F ZINC000886631324 637617908 /nfs/dbraw/zinc/61/79/08/637617908.db2.gz KDTGAVXEYVLJCV-QXEWZRGKSA-N 0 0 255.358 3.076 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1c([O-])cccc1F ZINC000886631323 637618062 /nfs/dbraw/zinc/61/80/62/637618062.db2.gz KDTGAVXEYVLJCV-NGZCFLSTSA-N 0 0 255.358 3.076 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1c([O-])cccc1F ZINC000886634904 637621249 /nfs/dbraw/zinc/62/12/49/637621249.db2.gz QAJPAAIWMNXXOC-QEJZJMRPSA-N 0 0 292.398 3.199 20 10 CGCDRN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886636137 637621413 /nfs/dbraw/zinc/62/14/13/637621413.db2.gz GPZDJSXNBABEQF-NEPJUHHUSA-N 0 0 280.387 3.055 20 10 CGCDRN C[C@@H](NC(=O)NCC1=CCCC1)c1ccc(N(C)C)cc1 ZINC000852261374 637622892 /nfs/dbraw/zinc/62/28/92/637622892.db2.gz QWILHADKGOWJDC-CYBMUJFWSA-N 0 0 287.407 3.223 20 10 CGCDRN C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1c([O-])cccc1F ZINC000886645431 637626253 /nfs/dbraw/zinc/62/62/53/637626253.db2.gz ZDKMQRAIKHXEKY-CYZMBNFOSA-N 0 0 281.371 3.122 20 10 CGCDRN C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(F)cc1[O-] ZINC000886701483 637663754 /nfs/dbraw/zinc/66/37/54/637663754.db2.gz QDRVCEAIDJYPJO-YPMHNXCESA-N 0 0 279.355 3.141 20 10 CGCDRN CC[C@@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000853244429 637792470 /nfs/dbraw/zinc/79/24/70/637792470.db2.gz MEMKRMWJWSJUMW-QGZVFWFLSA-N 0 0 289.423 3.131 20 10 CGCDRN CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000300419422 637838683 /nfs/dbraw/zinc/83/86/83/637838683.db2.gz VZXWLUPHWUHEAU-ADEWGFFLSA-N 0 0 269.385 3.466 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)cc1 ZINC000115280433 638514995 /nfs/dbraw/zinc/51/49/95/638514995.db2.gz IHLNTOZOMGUTGG-UHFFFAOYSA-N 0 0 286.350 3.130 20 10 CGCDRN O=C(NCc1cc(Cl)ccc1O)c1cncc(Cl)c1 ZINC000857548900 638516933 /nfs/dbraw/zinc/51/69/33/638516933.db2.gz ZQZUWMAKXHKJSH-UHFFFAOYSA-N 0 0 297.141 3.024 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1C ZINC000115854717 638627230 /nfs/dbraw/zinc/62/72/30/638627230.db2.gz QSQKUPVRUXMEOD-CQSZACIVSA-N 0 0 289.423 3.145 20 10 CGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1C ZINC000115854714 638627325 /nfs/dbraw/zinc/62/73/25/638627325.db2.gz QSQKUPVRUXMEOD-AWEZNQCLSA-N 0 0 289.423 3.145 20 10 CGCDRN Cc1ccc(O)c(CNC(=O)NCCSC(C)(C)C)c1 ZINC000858181313 638650516 /nfs/dbraw/zinc/65/05/16/638650516.db2.gz QLUHELYBAMJFEI-UHFFFAOYSA-N 0 0 296.436 3.032 20 10 CGCDRN CC(C)CN(Cc1ccccn1)C(=O)Nc1ccc(N)cc1 ZINC000926141500 638721119 /nfs/dbraw/zinc/72/11/19/638721119.db2.gz DRFFVXHONURQSV-UHFFFAOYSA-N 0 0 298.390 3.354 20 10 CGCDRN C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000858529686 638755807 /nfs/dbraw/zinc/75/58/07/638755807.db2.gz NYUUCKXEDAYOJM-BNGPLYCXSA-N 0 0 285.334 3.133 20 10 CGCDRN CC(C)[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1cnn(C)c1 ZINC000927066963 638837173 /nfs/dbraw/zinc/83/71/73/638837173.db2.gz PLUDLPCVKUXTMK-BDJLRTHQSA-N 0 0 291.370 3.313 20 10 CGCDRN C[C@]1(C(=O)NCc2c(O)cccc2F)C[C@@H]1c1ccccc1 ZINC000928706001 638889416 /nfs/dbraw/zinc/88/94/16/638889416.db2.gz NITNPRHORKZGGB-KDOFPFPSSA-N 0 0 299.345 3.341 20 10 CGCDRN COc1ccc(N(C)Cc2cc(C)cc(C)n2)cc1OC ZINC000929348759 638920392 /nfs/dbraw/zinc/92/03/92/638920392.db2.gz UUEMDACRAVPXNN-UHFFFAOYSA-N 0 0 286.375 3.352 20 10 CGCDRN CN(C)c1ccc(CN(C)C(=O)[C@]2(C)C=CCC2)cc1 ZINC000929527241 638930860 /nfs/dbraw/zinc/93/08/60/638930860.db2.gz IWWQITHFABOYPC-QGZVFWFLSA-N 0 0 272.392 3.067 20 10 CGCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccns1 ZINC000858578389 638998430 /nfs/dbraw/zinc/99/84/30/638998430.db2.gz VBPXGIAIKBLJGS-IUCAKERBSA-N 0 0 293.348 3.169 20 10 CGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C12CC(C1)C2 ZINC000858662851 639008758 /nfs/dbraw/zinc/00/87/58/639008758.db2.gz JLWLOBRGEPBCMX-UHFFFAOYSA-N 0 0 286.419 3.290 20 10 CGCDRN CN1CCCc2cc(CNC(=O)[C@]3(C)C=CCC3)ccc21 ZINC000931152432 639118881 /nfs/dbraw/zinc/11/88/81/639118881.db2.gz QCMSSDKKWZFESB-GOSISDBHSA-N 0 0 284.403 3.042 20 10 CGCDRN Nc1ccc(NC(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC000859698605 639193412 /nfs/dbraw/zinc/19/34/12/639193412.db2.gz ZLRULZLRBAIIJU-GFCCVEGCSA-N 0 0 259.353 3.137 20 10 CGCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862026642 639635345 /nfs/dbraw/zinc/63/53/45/639635345.db2.gz VYRFEAXVLHEQHH-DOMZBBRYSA-N 0 0 298.386 3.383 20 10 CGCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027164 639636008 /nfs/dbraw/zinc/63/60/08/639636008.db2.gz LALRCWOCAIPHDG-KBXCAEBGSA-N 0 0 298.386 3.239 20 10 CGCDRN Cc1ccc(O)c(CN2CCCOc3ccccc32)c1 ZINC000158876282 640022220 /nfs/dbraw/zinc/02/22/20/640022220.db2.gz OEDIZJTUHUYCDQ-UHFFFAOYSA-N 0 0 269.344 3.490 20 10 CGCDRN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(F)cc1[O-] ZINC000187868135 640103215 /nfs/dbraw/zinc/10/32/15/640103215.db2.gz NVKPHNQTXYUWQK-ZYHUDNBSSA-N 0 0 267.344 3.140 20 10 CGCDRN CCOc1cccc(CNc2ccc(Cl)cn2)c1O ZINC000191935527 640340332 /nfs/dbraw/zinc/34/03/32/640340332.db2.gz NJBVRZDSWPXXEH-UHFFFAOYSA-N 0 0 278.739 3.451 20 10 CGCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193003972 640423702 /nfs/dbraw/zinc/42/37/02/640423702.db2.gz YQFCVUYPKHCJLI-QILRFPOHSA-N 0 0 290.190 3.263 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CC1 ZINC000080516958 640488744 /nfs/dbraw/zinc/48/87/44/640488744.db2.gz CVPGJTCJDRSIFR-UHFFFAOYSA-N 0 0 289.423 3.084 20 10 CGCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCCC2(C)C)c1 ZINC000194367722 640528524 /nfs/dbraw/zinc/52/85/24/640528524.db2.gz USJUSZAYAHIGFQ-AWEZNQCLSA-N 0 0 291.391 3.233 20 10 CGCDRN COc1cccc(Sc2ncc([N+](=O)[O-])s2)c1 ZINC000195507633 640587701 /nfs/dbraw/zinc/58/77/01/640587701.db2.gz OMSAANHRSASGFT-UHFFFAOYSA-N 0 0 268.319 3.211 20 10 CGCDRN CCOc1cccc(CNc2ccc(C)cn2)c1O ZINC000083430432 640596527 /nfs/dbraw/zinc/59/65/27/640596527.db2.gz VNFVPWFOEZIYQP-UHFFFAOYSA-N 0 0 258.321 3.106 20 10 CGCDRN OCCc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000094755103 640801470 /nfs/dbraw/zinc/80/14/70/640801470.db2.gz UTGXJEHGLXGUHW-UHFFFAOYSA-N 0 0 277.751 3.193 20 10 CGCDRN Oc1cc(O)c(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1O ZINC001251355342 805887035 /nfs/dbraw/zinc/88/70/35/805887035.db2.gz GXFMAEDSVSBJQE-UHFFFAOYSA-N 0 0 294.669 3.139 20 10 CGCDRN Oc1ccc(CNc2ncc(Cl)cc2Cl)cc1O ZINC001158994523 806027125 /nfs/dbraw/zinc/02/71/25/806027125.db2.gz NJFRFTXGQMBIHO-UHFFFAOYSA-N 0 0 285.130 3.412 20 10 CGCDRN Oc1ccc(CNc2c(Cl)ccnc2Cl)cc1O ZINC001158995750 806029107 /nfs/dbraw/zinc/02/91/07/806029107.db2.gz NQUQAJAMJDWXTB-UHFFFAOYSA-N 0 0 285.130 3.412 20 10 CGCDRN Cc1ccc(Br)nc1Nc1ccc(N)cc1 ZINC001159372614 806089244 /nfs/dbraw/zinc/08/92/44/806089244.db2.gz UAMPFJHQDCISNA-UHFFFAOYSA-N 0 0 278.153 3.478 20 10 CGCDRN Oc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1O ZINC001252715308 806105344 /nfs/dbraw/zinc/10/53/44/806105344.db2.gz JLNPJLBJCZLWGW-UHFFFAOYSA-N 0 0 288.690 3.468 20 10 CGCDRN Nc1ccc(Nc2cc3ccccc3[nH]c2=O)cc1 ZINC001159486024 806112315 /nfs/dbraw/zinc/11/23/15/806112315.db2.gz UNDWJQUREVNYMI-UHFFFAOYSA-N 0 0 251.289 3.266 20 10 CGCDRN Cc1cnc(NCc2c(C)cc(C)cc2O)c([N+](=O)[O-])c1 ZINC001160808332 806305354 /nfs/dbraw/zinc/30/53/54/806305354.db2.gz QBOPLMCICTXIIK-UHFFFAOYSA-N 0 0 287.319 3.233 20 10 CGCDRN Nc1ccc(CNc2ncc3c(Cl)cccc3n2)cc1 ZINC001162786166 806666267 /nfs/dbraw/zinc/66/62/67/806666267.db2.gz RSLNNZHDVUGAMW-UHFFFAOYSA-N 0 0 284.750 3.478 20 10 CGCDRN CC(C)COc1cccc(NCc2ccc(N)cc2)n1 ZINC001162787264 806666307 /nfs/dbraw/zinc/66/63/07/806666307.db2.gz HTDJJOOJTJWHLV-UHFFFAOYSA-N 0 0 271.364 3.311 20 10 CGCDRN CCCCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031727023 798847268 /nfs/dbraw/zinc/84/72/68/798847268.db2.gz AIELARNZCRMNTM-UHFFFAOYSA-N 0 0 277.412 3.132 20 10 CGCDRN CCCNC(=O)c1cccc(NCc2ccccc2O)c1 ZINC000036933435 798852703 /nfs/dbraw/zinc/85/27/03/798852703.db2.gz AHFWZCZRGVYXPS-UHFFFAOYSA-N 0 0 284.359 3.144 20 10 CGCDRN C[C@H](Nc1cccc(C(=O)N(C)C)c1)c1ccccc1O ZINC000037084529 798858183 /nfs/dbraw/zinc/85/81/83/798858183.db2.gz GCCWMAYEIVXBOT-LBPRGKRZSA-N 0 0 284.359 3.267 20 10 CGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000037328738 798866563 /nfs/dbraw/zinc/86/65/63/798866563.db2.gz ZXSGDBIVDCJGSR-JTQLQIEISA-N 0 0 267.344 3.210 20 10 CGCDRN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)C ZINC000037323216 798866878 /nfs/dbraw/zinc/86/68/78/798866878.db2.gz YJIZKWBRLPOQDF-UHFFFAOYSA-N 0 0 267.344 3.212 20 10 CGCDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000037802948 798874808 /nfs/dbraw/zinc/87/48/08/798874808.db2.gz QXLZBHWLXCJLKG-GFCCVEGCSA-N 0 0 286.350 3.170 20 10 CGCDRN Cc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)o1 ZINC000208249947 799132459 /nfs/dbraw/zinc/13/24/59/799132459.db2.gz ITOIODDJSBCDIC-UKTHLTGXSA-N 0 0 290.388 3.481 20 10 CGCDRN CC[C@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000378822907 799343510 /nfs/dbraw/zinc/34/35/10/799343510.db2.gz NRSMWYKMCVGQJT-ZDUSSCGKSA-N 0 0 290.190 3.358 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000383790369 799408469 /nfs/dbraw/zinc/40/84/69/799408469.db2.gz ZOFCMGQSLPILTM-MRXNPFEDSA-N 0 0 295.382 3.156 20 10 CGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC2CCC1CC2 ZINC000383913884 799410564 /nfs/dbraw/zinc/41/05/64/799410564.db2.gz FYAPUXDJZKMMJH-SSDMNJCBSA-N 0 0 273.376 3.177 20 10 CGCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])[C@@H]1C ZINC000390501790 799472011 /nfs/dbraw/zinc/47/20/11/799472011.db2.gz UZXLZFCKHJXKBS-KBVBSXBZSA-N 0 0 284.197 3.289 20 10 CGCDRN Cc1nocc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000398011606 799525408 /nfs/dbraw/zinc/52/54/08/799525408.db2.gz MPSSGABGFPIMDE-UHFFFAOYSA-N 0 0 287.146 3.285 20 10 CGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc[nH]1 ZINC000588547866 799709266 /nfs/dbraw/zinc/70/92/66/799709266.db2.gz QOWKZLPFXHVFNA-XFXZXTDPSA-N 0 0 297.402 3.143 20 10 CGCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CO1 ZINC000688501673 799748434 /nfs/dbraw/zinc/74/84/34/799748434.db2.gz MIYDYKBJHIHDNY-WDEREUQCSA-N 0 0 290.190 3.356 20 10 CGCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CS1 ZINC000689643349 799767933 /nfs/dbraw/zinc/76/79/33/799767933.db2.gz SKCWRXXIGFODGQ-MWLCHTKSSA-N 0 0 271.813 3.419 20 10 CGCDRN CO[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000692950792 799805240 /nfs/dbraw/zinc/80/52/40/799805240.db2.gz HVXNPXJBZABVEW-AWEZNQCLSA-N 0 0 283.799 3.340 20 10 CGCDRN CCC(F)(F)C(C)(C)CNC(=O)Nc1ccc(N)cc1 ZINC000699823389 799866499 /nfs/dbraw/zinc/86/64/99/799866499.db2.gz AUXHLEKCBXJQDU-UHFFFAOYSA-N 0 0 285.338 3.462 20 10 CGCDRN O=C(CCSc1ccccc1)NCc1ccccc1O ZINC000701155135 799884711 /nfs/dbraw/zinc/88/47/11/799884711.db2.gz UFPUXSWDRHJIHK-UHFFFAOYSA-N 0 0 287.384 3.191 20 10 CGCDRN CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000701660296 799890519 /nfs/dbraw/zinc/89/05/19/799890519.db2.gz BSBHUNLGPAEXPO-NSHDSACASA-N 0 0 290.190 3.310 20 10 CGCDRN CCCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701666308 799892515 /nfs/dbraw/zinc/89/25/15/799892515.db2.gz TZAYPQSQKGHTLQ-LBPRGKRZSA-N 0 0 269.772 3.047 20 10 CGCDRN Nc1ccc(NC(=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC000703192369 799919699 /nfs/dbraw/zinc/91/96/99/799919699.db2.gz 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/nfs/dbraw/zinc/11/72/66/800117266.db2.gz DAQBMYCBZFRQLX-GFCCVEGCSA-N 0 0 283.318 3.176 20 10 CGCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCCF ZINC000715745771 800146031 /nfs/dbraw/zinc/14/60/31/800146031.db2.gz QAKXZGWYRITWCG-UHFFFAOYSA-N 0 0 294.139 3.133 20 10 CGCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000720494780 800258711 /nfs/dbraw/zinc/25/87/11/800258711.db2.gz JBXIIXPUWQTAQF-VIFPVBQESA-N 0 0 290.190 3.310 20 10 CGCDRN CCCn1cc(NCc2cccc(CC)c2O)cn1 ZINC000722375111 800319648 /nfs/dbraw/zinc/31/96/48/800319648.db2.gz CVUIJTYRVXPIIF-UHFFFAOYSA-N 0 0 259.353 3.173 20 10 CGCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000723953390 800345549 /nfs/dbraw/zinc/34/55/49/800345549.db2.gz VPCMLOFPGZEXHB-OCCSQVGLSA-N 0 0 283.799 3.340 20 10 CGCDRN COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000903128889 800594486 /nfs/dbraw/zinc/59/44/86/800594486.db2.gz NARHVRRCGXLPDX-UMNHJUIQSA-N 0 0 297.782 3.038 20 10 CGCDRN C[C@H](NC(=O)NC/C=C/C1CC1)c1ccc(N(C)C)cc1 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803779121 /nfs/dbraw/zinc/77/91/21/803779121.db2.gz BLINJMUMIKSZTN-AWEZNQCLSA-N 0 0 286.350 3.133 20 10 CGCDRN CN(Cc1ccccc1F)Cc1c(O)cccc1F ZINC001137837325 803780923 /nfs/dbraw/zinc/78/09/23/803780923.db2.gz BHQCTMUJSJVKNW-UHFFFAOYSA-N 0 0 263.287 3.302 20 10 CGCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001138127443 803863992 /nfs/dbraw/zinc/86/39/92/803863992.db2.gz BRBLIIVKSSBINP-OAHLLOKOSA-N 0 0 286.350 3.133 20 10 CGCDRN CN(Cc1ccc(Cl)nc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685258 804253014 /nfs/dbraw/zinc/25/30/14/804253014.db2.gz CONJBLUAWZYECO-UHFFFAOYSA-N 0 0 298.720 3.351 20 10 CGCDRN CC(C)Oc1cccc(-c2noc(-c3csnn3)n2)c1 ZINC001212362398 815010725 /nfs/dbraw/zinc/01/07/25/815010725.db2.gz RFKUFZHXJBGXCH-UHFFFAOYSA-N 0 0 288.332 3.042 20 10 CGCDRN Oc1cccc(Cl)c1CN1CC[C@H](CF)C(F)(F)C1 ZINC001140337835 804418407 /nfs/dbraw/zinc/41/84/07/804418407.db2.gz INACIJNEUQWDMJ-SECBINFHSA-N 0 0 293.716 3.472 20 10 CGCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1c(O)cccc1Cl ZINC001140341343 804420334 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ZINC001233332670 818585840 /nfs/dbraw/zinc/58/58/40/818585840.db2.gz TZBMGXIGRBEOKX-MRVPVSSYSA-N 0 0 277.261 3.148 20 10 CGCDRN Oc1ccc(F)c(F)c1CN(Cc1ccco1)C1CC1 ZINC001233335621 818588551 /nfs/dbraw/zinc/58/85/51/818588551.db2.gz DLOAKPYNLFFMLS-UHFFFAOYSA-N 0 0 279.286 3.428 20 10 CGCDRN C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)C[C@H](C)O1 ZINC001233415632 818613289 /nfs/dbraw/zinc/61/32/89/818613289.db2.gz DBADLGAFZFXNSZ-AOOOYVTPSA-N 0 0 289.297 3.020 20 10 CGCDRN CCC(=O)[C@@H](CC)Oc1ccc2c(c1)CCN2CC ZINC001233601492 818656097 /nfs/dbraw/zinc/65/60/97/818656097.db2.gz KWAJFHCRLZRHCI-MRXNPFEDSA-N 0 0 261.365 3.206 20 10 CGCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2c(O)cccc2F)CC1 ZINC001234242131 818813443 /nfs/dbraw/zinc/81/34/43/818813443.db2.gz XRSKEJYRILKOFK-NEPJUHHUSA-N 0 0 294.370 3.299 20 10 CGCDRN CC(=O)c1cc(O)c(O)cc1OC1CCCCCC1 ZINC001234473386 818863405 /nfs/dbraw/zinc/86/34/05/818863405.db2.gz FVLONOLXHLSYDZ-UHFFFAOYSA-N 0 0 264.321 3.402 20 10 CGCDRN COc1ccc2ccc(O)c(CN3CCCCO3)c2c1 ZINC001234519352 818871390 /nfs/dbraw/zinc/87/13/90/818871390.db2.gz VMLLIOIMSABJJE-UHFFFAOYSA-N 0 0 273.332 3.081 20 10 CGCDRN Cc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)s1 ZINC001243381386 823381958 /nfs/dbraw/zinc/38/19/58/823381958.db2.gz NZBJIIYYROVYKX-UHFFFAOYSA-N 0 0 282.368 3.329 20 10 CGCDRN C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)[C@H]1CO ZINC001235674998 819135349 /nfs/dbraw/zinc/13/53/49/819135349.db2.gz LLMMRPKIXIPHHK-CJNGLKHVSA-N 0 0 291.435 3.283 20 10 CGCDRN Cn1ccc2c1nccc2-c1cccnc1N1CCCC1 ZINC001236134002 819336858 /nfs/dbraw/zinc/33/68/58/819336858.db2.gz QKMGUDUZTGFRDZ-UHFFFAOYSA-N 0 0 278.359 3.236 20 10 CGCDRN CC1(F)CN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792408 819596914 /nfs/dbraw/zinc/59/69/14/819596914.db2.gz DFDUELNNLRTJMU-UHFFFAOYSA-N 0 0 264.127 3.243 20 10 CGCDRN COC1CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236792481 819596950 /nfs/dbraw/zinc/59/69/50/819596950.db2.gz DPFXGKAMMDMLKJ-UHFFFAOYSA-N 0 0 290.190 3.310 20 10 CGCDRN C[C@@H]1COCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794840 819597156 /nfs/dbraw/zinc/59/71/56/819597156.db2.gz VKIBYMAXRRAVEB-VIFPVBQESA-N 0 0 290.190 3.167 20 10 CGCDRN COc1ccc(C[N@@H+]2CCCC[C@H]2C)c([O-])c1Cl ZINC001236806018 819602521 /nfs/dbraw/zinc/60/25/21/819602521.db2.gz LBVLSTPARKZGNY-SNVBAGLBSA-N 0 0 269.772 3.429 20 10 CGCDRN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC001236802996 819603165 /nfs/dbraw/zinc/60/31/65/819603165.db2.gz LHYGQOIIISQEIM-SNVBAGLBSA-N 0 0 290.190 3.310 20 10 CGCDRN COc1ccc(C[N@H+](CC2CC2)C2CC2)c([O-])c1Cl ZINC001236808666 819604532 /nfs/dbraw/zinc/60/45/32/819604532.db2.gz HTJJRPOLNFHFCM-UHFFFAOYSA-N 0 0 281.783 3.429 20 10 CGCDRN CC(C)c1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)c(O)c1 ZINC001237044276 819648110 /nfs/dbraw/zinc/64/81/10/819648110.db2.gz BMBDHVWWNRVUIK-KRWDZBQOSA-N 0 0 277.408 3.253 20 10 CGCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(O)c1 ZINC001237049260 819651699 /nfs/dbraw/zinc/65/16/99/819651699.db2.gz MUWVMBNSTMJUGI-CQSZACIVSA-N 0 0 277.408 3.110 20 10 CGCDRN Oc1ccc(Cl)c(Cl)c1CN1C[C@@H](F)[C@H](F)C1 ZINC001237077030 819659658 /nfs/dbraw/zinc/65/96/58/819659658.db2.gz BPLUCWOMMLNIQU-RKDXNWHRSA-N 0 0 282.117 3.191 20 10 CGCDRN Oc1cccc(OC(F)(F)F)c1CN1CCC(F)(F)C1 ZINC001237119411 819672060 /nfs/dbraw/zinc/67/20/60/819672060.db2.gz IDIHBEJAWVIPPK-UHFFFAOYSA-N 0 0 297.223 3.132 20 10 CGCDRN Oc1ccc(F)c(Cl)c1CN1CC(F)(F)C[C@H]1CF ZINC001237121399 819672655 /nfs/dbraw/zinc/67/26/55/819672655.db2.gz MHLOJYWWEKFLNM-ZETCQYMHSA-N 0 0 297.679 3.364 20 10 CGCDRN Oc1ccc(C(F)(F)F)cc1CN1CCC[C@@H]1CF ZINC001237139685 819677209 /nfs/dbraw/zinc/67/72/09/819677209.db2.gz BTLPNFOJPYQUSW-LLVKDONJSA-N 0 0 277.261 3.345 20 10 CGCDRN C[C@]1(CF)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616476 819787253 /nfs/dbraw/zinc/78/72/53/819787253.db2.gz DXPGSZXLIKHSBX-CYBMUJFWSA-N 0 0 275.726 3.366 20 10 CGCDRN CC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C)c1O ZINC001237687158 819806632 /nfs/dbraw/zinc/80/66/32/819806632.db2.gz RZALXEUKRXGATC-AWEZNQCLSA-N 0 0 281.783 3.298 20 10 CGCDRN CC[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237802422 819844770 /nfs/dbraw/zinc/84/47/70/819844770.db2.gz MNPAFFAJXZSANP-SECBINFHSA-N 0 0 257.736 3.417 20 10 CGCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(CCCO2)CC1 ZINC001237936080 819888859 /nfs/dbraw/zinc/88/88/59/819888859.db2.gz IWOCIXCHBIGQCA-UHFFFAOYSA-N 0 0 299.773 3.330 20 10 CGCDRN CC1(C)CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237938218 819888985 /nfs/dbraw/zinc/88/89/85/819888985.db2.gz ZDIZAGVURIZVQV-UHFFFAOYSA-N 0 0 257.736 3.417 20 10 CGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237935189 819889158 /nfs/dbraw/zinc/88/91/58/819889158.db2.gz AYTDSZGWGYKKSG-GFCCVEGCSA-N 0 0 291.700 3.416 20 10 CGCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237945445 819891655 /nfs/dbraw/zinc/89/16/55/819891655.db2.gz FVLIECHURLGMHJ-ZUZCIYMTSA-N 0 0 299.773 3.186 20 10 CGCDRN Cn1ccc2ccc(-c3cnn(Cc4ccncc4)c3)cc21 ZINC001239049191 820205081 /nfs/dbraw/zinc/20/50/81/820205081.db2.gz MLQQOAARGJZOTO-UHFFFAOYSA-N 0 0 288.354 3.485 20 10 CGCDRN Cc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)c(C)n1 ZINC001239469133 820319755 /nfs/dbraw/zinc/31/97/55/820319755.db2.gz VJPJOKQYJVAADU-UHFFFAOYSA-N 0 0 282.265 3.089 20 10 CGCDRN COC(=O)c1cc(-c2ccc3ccn(C)c3c2)cnc1F ZINC001240574661 821159755 /nfs/dbraw/zinc/15/97/55/821159755.db2.gz WPOLCVWEWFQIHD-UHFFFAOYSA-N 0 0 284.290 3.166 20 10 CGCDRN c1ccc(N2CC=C(c3cnc4cccnc4n3)CC2)cc1 ZINC001241347228 821750646 /nfs/dbraw/zinc/75/06/46/821750646.db2.gz PUZQAELFYJCGRH-UHFFFAOYSA-N 0 0 288.354 3.319 20 10 CGCDRN COC(=O)c1ncccc1-c1cccc2c1ccn2C ZINC001241821279 822162608 /nfs/dbraw/zinc/16/26/08/822162608.db2.gz DBTLWPISUQNDJN-UHFFFAOYSA-N 0 0 266.300 3.027 20 10 CGCDRN Cn1ccc2c1cccc2-c1cnc(N2CCCC2)nc1 ZINC001241822124 822162752 /nfs/dbraw/zinc/16/27/52/822162752.db2.gz QBZOYNXQHKGIPS-UHFFFAOYSA-N 0 0 278.359 3.236 20 10 CGCDRN