smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cccs1)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000234304593 804060117 /nfs/dbraw/zinc/06/01/17/804060117.db2.gz YZWWJSJWGNLYLA-WDEREUQCSA-N -1 0 303.405 1.763 10 0 DDAERM CCc1nc2cc(C(=O)[O-])ccc2n1[C@H](C)CS(C)(=O)=O ZINC000081905182 192336543 /nfs/dbraw/zinc/33/65/43/192336543.db2.gz KNXAAIIBZXXVDV-SECBINFHSA-N -1 0 310.375 1.903 10 0 DDAERM C[C@H](CS(C)(=O)=O)Nc1cc(C(=O)[O-])nc2ccccc21 ZINC000081904676 192336558 /nfs/dbraw/zinc/33/65/58/192336558.db2.gz LGYSAUKDBJXVNW-SECBINFHSA-N -1 0 308.359 1.778 10 0 DDAERM COC(=O)CCS(=O)(=O)C(C)=C([O-])c1ccc(OC)cc1 ZINC000081908625 192338033 /nfs/dbraw/zinc/33/80/33/192338033.db2.gz XGVMDARIUWYTSG-JTQLQIEISA-N -1 0 314.359 1.244 10 0 DDAERM CC[C@H]1CCCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC000079306278 185164349 /nfs/dbraw/zinc/16/43/49/185164349.db2.gz BQAFDHMNYLPCBT-JTQLQIEISA-N -1 0 315.395 1.617 10 0 DDAERM CCC[C@H](CCNC(=O)N(C)CC(=O)OC)CCC(=O)[O-] ZINC000079233019 185162030 /nfs/dbraw/zinc/16/20/30/185162030.db2.gz PKCDSVNOJAKBMO-NSHDSACASA-N -1 0 302.371 1.472 10 0 DDAERM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cncc(F)c3)cc2[nH]1 ZINC000082356166 185177650 /nfs/dbraw/zinc/17/76/50/185177650.db2.gz HYVPGYYBOSLJLG-UHFFFAOYSA-N -1 0 308.294 1.191 10 0 DDAERM CCC[C@@H](CNC(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000087483118 185226321 /nfs/dbraw/zinc/22/63/21/185226321.db2.gz WBXRUGBAFRJADV-NSHDSACASA-N -1 0 300.355 1.082 10 0 DDAERM CCC[C@@H](CNC(=O)N(CC)CC(=O)NC(C)C)C(=O)[O-] ZINC000087492586 185226425 /nfs/dbraw/zinc/22/64/25/185226425.db2.gz KAWRVGXXDLZZFX-NSHDSACASA-N -1 0 301.387 1.043 10 0 DDAERM CCC[C@@H](CNC(=O)Cc1csc2nc(C)cn12)C(=O)[O-] ZINC000087489924 185226503 /nfs/dbraw/zinc/22/65/03/185226503.db2.gz JVTAAVFZAZRVEF-JTQLQIEISA-N -1 0 309.391 1.864 10 0 DDAERM CCC[C@@H](CNC(=O)N(CC(=O)OCC)C(C)C)C(=O)[O-] ZINC000087497454 185226681 /nfs/dbraw/zinc/22/66/81/185226681.db2.gz ARUNDUVAJONRBX-NSHDSACASA-N -1 0 302.371 1.470 10 0 DDAERM CCC[C@H](CNS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-] ZINC000087502972 185227222 /nfs/dbraw/zinc/22/72/22/185227222.db2.gz LWSFOIFGULBHGK-MRVPVSSYSA-N -1 0 307.318 1.744 10 0 DDAERM O=C([O-])[C@H]1CC(=O)N(Cc2sccc2Br)C1 ZINC000087574945 185228568 /nfs/dbraw/zinc/22/85/68/185228568.db2.gz XUXDLFFCMUXIPL-LURJTMIESA-N -1 0 304.165 1.944 10 0 DDAERM CC(C)(Nc1ccccc1S(N)(=O)=O)C(C)(C)C(=O)[O-] ZINC000087623840 185229296 /nfs/dbraw/zinc/22/92/96/185229296.db2.gz OXSXSORQKXVXGF-UHFFFAOYSA-N -1 0 300.380 1.635 10 0 DDAERM C[C@@H]1CCCN(S(=O)(=O)NC(C)(C)C(C)(C)C(=O)[O-])C1 ZINC000087623373 185229371 /nfs/dbraw/zinc/22/93/71/185229371.db2.gz QLPHWYSHEPGYJG-SNVBAGLBSA-N -1 0 306.428 1.442 10 0 DDAERM CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000087665004 185229943 /nfs/dbraw/zinc/22/99/43/185229943.db2.gz SPZCWMQPRSBXGN-GMTAPVOTSA-N -1 0 301.387 1.075 10 0 DDAERM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[C@@H](C)C(=O)[O-] ZINC000087706426 185230691 /nfs/dbraw/zinc/23/06/91/185230691.db2.gz HJIBVRHSNZOOBO-LDYMZIIASA-N -1 0 300.380 1.123 10 0 DDAERM Cc1csc([C@@H](C)NC(=O)NC(=O)CC(C)(C)C(=O)[O-])n1 ZINC000087728283 185231091 /nfs/dbraw/zinc/23/10/91/185231091.db2.gz GDCFEIDNGBIEQJ-MRVPVSSYSA-N -1 0 313.379 1.839 10 0 DDAERM O=C([O-])c1ccc2c(c1)nc(C(F)(F)F)n2C(CO)CO ZINC000087753521 185231531 /nfs/dbraw/zinc/23/15/31/185231531.db2.gz GKSVFXIBPYRQMJ-UHFFFAOYSA-N -1 0 304.224 1.279 10 0 DDAERM CC(=O)N[C@H](C)C(=O)Nc1nc2ccc(C(=O)[O-])cc2s1 ZINC000087848330 185233291 /nfs/dbraw/zinc/23/32/91/185233291.db2.gz ARZQREOBEJBTIH-ZCFIWIBFSA-N -1 0 307.331 1.458 10 0 DDAERM O=C([O-])CC1(CN2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000088256286 185243993 /nfs/dbraw/zinc/24/39/93/185243993.db2.gz VENDETDHXJOEHQ-UHFFFAOYSA-N -1 0 304.272 1.367 10 0 DDAERM Cc1cc(CS(=O)(=O)NC[C@@H](CC(=O)[O-])CC(C)C)no1 ZINC000088273877 185244487 /nfs/dbraw/zinc/24/44/87/185244487.db2.gz DIHNSXBQEFCUSB-LLVKDONJSA-N -1 0 318.395 1.539 10 0 DDAERM CCCCN(C)S(=O)(=O)NC[C@@H](CC(=O)[O-])CC(C)C ZINC000088273892 185244513 /nfs/dbraw/zinc/24/45/13/185244513.db2.gz QBSDPSXLIQKDRP-GFCCVEGCSA-N -1 0 308.444 1.690 10 0 DDAERM CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1cnn(CCC(=O)[O-])c1 ZINC000088298368 185244832 /nfs/dbraw/zinc/24/48/32/185244832.db2.gz QKEXBYDTHFAPIW-GHMZBOCLSA-N -1 0 317.411 1.461 10 0 DDAERM O=C([O-])[C@H]1COCCN1C(=O)Nc1cccc(Cl)c1F ZINC000088393636 185248130 /nfs/dbraw/zinc/24/81/30/185248130.db2.gz HKQYNJCTZHVRGJ-SECBINFHSA-N -1 0 302.689 1.796 10 0 DDAERM COCC[C@H](NC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC000088433746 185250144 /nfs/dbraw/zinc/25/01/44/185250144.db2.gz OCEYBPZQQBJBJG-BDAKNGLRSA-N -1 0 312.288 1.460 10 0 DDAERM C[C@@H]1CCCCC[C@@H]1NS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000088511663 185254502 /nfs/dbraw/zinc/25/45/02/185254502.db2.gz ZKVZNGCMRUELLC-FRRDWIJNSA-N -1 0 318.439 1.729 10 0 DDAERM CN(CCC(=O)[O-])S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000088767258 185264665 /nfs/dbraw/zinc/26/46/65/185264665.db2.gz XGOBLZKANKGIEC-UHFFFAOYSA-N -1 0 312.391 1.629 10 0 DDAERM CCc1cccc(C)c1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000088767166 185264700 /nfs/dbraw/zinc/26/47/00/185264700.db2.gz JILJNEHMEUCFLS-UHFFFAOYSA-N -1 0 300.380 1.621 10 0 DDAERM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@@H](O)C(=O)[O-] ZINC000090264914 185288387 /nfs/dbraw/zinc/28/83/87/185288387.db2.gz FKBBLJONSAOGFN-GZMMTYOYSA-N -1 0 300.742 1.488 10 0 DDAERM CN(Cc1cccc(Cl)c1)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000090277895 185289155 /nfs/dbraw/zinc/28/91/55/185289155.db2.gz PQIBDGRGXRNGTR-CYBMUJFWSA-N -1 0 300.742 1.317 10 0 DDAERM O=C([O-])[C@@H]1COC[C@H]1NC(=O)Nc1c(F)cc(F)cc1F ZINC000090378203 185293313 /nfs/dbraw/zinc/29/33/13/185293313.db2.gz UHXOAHJIXQMCLT-HZGVNTEJSA-N -1 0 304.224 1.325 10 0 DDAERM CCn1cc(Cl)cc1C(=O)N(C)[C@@H]1COC[C@H]1C(=O)[O-] ZINC000090387308 185293868 /nfs/dbraw/zinc/29/38/68/185293868.db2.gz LJFAUHORJVAJFV-MWLCHTKSSA-N -1 0 300.742 1.333 10 0 DDAERM CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1COC[C@H]1C(=O)[O-] ZINC000090387384 185293991 /nfs/dbraw/zinc/29/39/91/185293991.db2.gz QEUISRUTESRGHL-VXGBXAGGSA-N -1 0 313.737 1.277 10 0 DDAERM Cc1ncsc1CN(C)C(=O)N(C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090430757 185295984 /nfs/dbraw/zinc/29/59/84/185295984.db2.gz MKNUNUOPVZMRDU-VHSXEESVSA-N -1 0 313.379 1.035 10 0 DDAERM CCN(C(=O)c1ccc(Cl)s1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090442061 185296901 /nfs/dbraw/zinc/29/69/01/185296901.db2.gz XORWZOQOLRPLAD-YUMQZZPRSA-N -1 0 303.767 1.963 10 0 DDAERM CC(C)(C)c1nnsc1C(=O)N[C@@H]1COC[C@@]1(C)C(=O)[O-] ZINC000090569224 185304121 /nfs/dbraw/zinc/30/41/21/185304121.db2.gz WWKGAGQQQKIILW-FUXBKTLASA-N -1 0 313.379 1.055 10 0 DDAERM C[C@]1(C(=O)[O-])COC[C@H]1NC(=O)CCSc1ccccc1 ZINC000090569378 185304141 /nfs/dbraw/zinc/30/41/41/185304141.db2.gz XFUCELWHWDKYHI-DOMZBBRYSA-N -1 0 309.387 1.775 10 0 DDAERM CC(C)(C)n1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1=O ZINC000092436720 185318284 /nfs/dbraw/zinc/31/82/84/185318284.db2.gz YVRONZPVRPVFDP-UHFFFAOYSA-N -1 0 307.272 1.452 10 0 DDAERM CC(C)(C)N(CC(=O)[O-])S(=O)(=O)CCc1ccccn1 ZINC000092448341 185319214 /nfs/dbraw/zinc/31/92/14/185319214.db2.gz ITUZFWPMTUCOLL-UHFFFAOYSA-N -1 0 300.380 1.139 10 0 DDAERM O=C([O-])c1cccn1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000092722787 185336078 /nfs/dbraw/zinc/33/60/78/185336078.db2.gz FGVNOGYMPDJSMM-VIFPVBQESA-N -1 0 304.268 1.987 10 0 DDAERM CC1(C)C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC000092816261 185343987 /nfs/dbraw/zinc/34/39/87/185343987.db2.gz ZAYIMKOYZJTCPK-UHFFFAOYSA-N -1 0 318.439 1.300 10 0 DDAERM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(Br)cn1 ZINC000092919849 185349135 /nfs/dbraw/zinc/34/91/35/185349135.db2.gz ODFPFJCJCOQMNJ-VXNVDRBHSA-N -1 0 313.151 1.779 10 0 DDAERM Cc1nn(C)c(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)c1Br ZINC000092924820 185349410 /nfs/dbraw/zinc/34/94/10/185349410.db2.gz MBQZSPFVVOBGMQ-DTWKUNHWSA-N -1 0 316.199 1.786 10 0 DDAERM CCCN(CC(=O)OCC)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000092946878 185350026 /nfs/dbraw/zinc/35/00/26/185350026.db2.gz OZJQVIDHWAZCDE-WDEREUQCSA-N -1 0 300.355 1.177 10 0 DDAERM C[C@@H]1CN(C(=O)c2cc(Cl)nnc2Cl)C[C@H]1C(=O)[O-] ZINC000111251247 185565115 /nfs/dbraw/zinc/56/51/15/185565115.db2.gz MGTNBUCQCVDCRV-IYSWYEEDSA-N -1 0 304.133 1.576 10 0 DDAERM C[C@H]1SC[C@H](C(=O)[O-])N1C(=O)NCCc1ccc(F)cc1 ZINC000111423396 185597114 /nfs/dbraw/zinc/59/71/14/185597114.db2.gz WGOCZNRRVQVZLF-BXKDBHETSA-N -1 0 312.366 1.926 10 0 DDAERM CCC[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)c1cc(C(C)=O)c[nH]1 ZINC000111423375 185597454 /nfs/dbraw/zinc/59/74/54/185597454.db2.gz FNDUKNCWPHFDIB-NWDGAFQWSA-N -1 0 310.375 1.986 10 0 DDAERM C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cn2)C[C@@H]1C ZINC000068581738 190776368 /nfs/dbraw/zinc/77/63/68/190776368.db2.gz OUSDCUNLZNRJPM-JBLDHEPKSA-N -1 0 312.391 1.883 10 0 DDAERM O=C([O-])c1ccc([C@H]2CC[NH2+]C[C@@H]2[N-]C(=O)C(F)(F)F)cc1 ZINC000616570081 539559946 /nfs/dbraw/zinc/55/99/46/539559946.db2.gz PVKDEROQNYTGAH-MNOVXSKESA-N -1 0 316.279 1.509 10 0 DDAERM Cc1c(Br)ccc(C(=O)[O-])c1N1CCOCC1=O ZINC000725244118 539568524 /nfs/dbraw/zinc/56/85/24/539568524.db2.gz IHPVQLZKNISPBY-UHFFFAOYSA-N -1 0 314.135 1.819 10 0 DDAERM C[C@@H]1CC[C@](O)(C(=O)[O-])[C@H](NC(=O)OCc2ccccc2)C1 ZINC000685961654 539568790 /nfs/dbraw/zinc/56/87/90/539568790.db2.gz UORYVHUNDLFOJQ-AXAPSJFSSA-N -1 0 307.346 1.917 10 0 DDAERM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C)c(Cl)c1OC ZINC000070270546 190876061 /nfs/dbraw/zinc/87/60/61/190876061.db2.gz DVIFSXSTXGFFJC-PELKAZGASA-N -1 0 313.737 1.961 10 0 DDAERM CCNS(=O)(=O)c1ccccc1N[C@@H](C)CCC(=O)[O-] ZINC000070312916 190880182 /nfs/dbraw/zinc/88/01/82/190880182.db2.gz HEHJFAMMFVHTIP-JTQLQIEISA-N -1 0 300.380 1.650 10 0 DDAERM CCOC(=O)C1CCN(C(=O)N[C@H](C)CCC(=O)[O-])CC1 ZINC000070312489 190880650 /nfs/dbraw/zinc/88/06/50/190880650.db2.gz IAZAAEATUZEWGT-SNVBAGLBSA-N -1 0 300.355 1.224 10 0 DDAERM CCCc1cc(-n2cnc(C(=O)[O-])c2)nc(-c2cnccn2)n1 ZINC000070452527 190896043 /nfs/dbraw/zinc/89/60/43/190896043.db2.gz GWEXTHCYCZXTHW-UHFFFAOYSA-N -1 0 310.317 1.770 10 0 DDAERM CCOC(=O)CCN(C)C(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070573046 190906202 /nfs/dbraw/zinc/90/62/02/190906202.db2.gz UNAOUCSVAOOACZ-QWRGUYRKSA-N -1 0 300.355 1.224 10 0 DDAERM Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)N1CCC[C@H](C)CC1 ZINC000071030623 190930599 /nfs/dbraw/zinc/93/05/99/190930599.db2.gz KOXYCEQOPRBTHW-QMMMGPOBSA-N -1 0 301.368 1.227 10 0 DDAERM COC(=O)C[C@H](NC(=O)Nc1ccc(SC)cc1)C(=O)[O-] ZINC000071337691 190959725 /nfs/dbraw/zinc/95/97/25/190959725.db2.gz BILVYVFMJWFVRM-JTQLQIEISA-N -1 0 312.347 1.546 10 0 DDAERM O=C([O-])CN(C(=O)NCc1ncc[nH]1)c1cccc(Cl)c1 ZINC000083845280 192387017 /nfs/dbraw/zinc/38/70/17/192387017.db2.gz IYTKAHQCHWOMGK-UHFFFAOYSA-N -1 0 308.725 1.864 10 0 DDAERM COC(=O)[C@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])C(C)C ZINC000083883595 192389066 /nfs/dbraw/zinc/38/90/66/192389066.db2.gz WOYMZTNTHQUYGA-WDEREUQCSA-N -1 0 300.355 1.223 10 0 DDAERM Cc1nc([C@H](C)NC(=O)c2cnc(C)cn2)sc1C(=O)[O-] ZINC000237458906 186293239 /nfs/dbraw/zinc/29/32/39/186293239.db2.gz 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O=C([O-])CN(C(=O)CNCC(F)(F)F)c1cccc(Cl)c1 ZINC000092434480 185317834 /nfs/dbraw/zinc/31/78/34/185317834.db2.gz LOAKUWNSFJAAJE-UHFFFAOYSA-N -1 0 324.686 1.910 10 0 DDAERM CC(C)[C@H]1SC[C@H](C(=O)[O-])N1C(=O)CNCC(F)(F)F ZINC000092434868 185317943 /nfs/dbraw/zinc/31/79/43/185317943.db2.gz WJAYEAWLOXWJLF-VXNVDRBHSA-N -1 0 314.329 1.149 10 0 DDAERM O=C([O-])CN(CC(F)(F)F)C(=O)COCc1ccccc1 ZINC000092435557 185318264 /nfs/dbraw/zinc/31/82/64/185318264.db2.gz OQDYUUIVWPMSNT-UHFFFAOYSA-N -1 0 305.252 1.679 10 0 DDAERM CN(C)C(=O)Cc1nc(CN(CC(=O)[O-])C(C)(C)C)cs1 ZINC000092450480 185319165 /nfs/dbraw/zinc/31/91/65/185319165.db2.gz QQIXNQIHAWDGHD-UHFFFAOYSA-N -1 0 313.423 1.459 10 0 DDAERM CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000092625630 185329932 /nfs/dbraw/zinc/32/99/32/185329932.db2.gz RLEWZRGGTQHTBT-SECBINFHSA-N -1 0 318.420 1.161 10 0 DDAERM Cc1cn2c(CC(=O)N3CC[C@H](C(=O)[O-])[C@H]3C)csc2n1 ZINC000092919762 185349059 /nfs/dbraw/zinc/34/90/59/185349059.db2.gz 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DDAERM CCCCN(C1CC1)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000070446526 190894174 /nfs/dbraw/zinc/89/41/74/190894174.db2.gz YQECTZIVCXEOLJ-UHFFFAOYSA-N -1 0 301.368 1.370 10 0 DDAERM CCC[C@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000083755672 192381722 /nfs/dbraw/zinc/38/17/22/192381722.db2.gz RKSBCSJDTDTYTD-SNVBAGLBSA-N -1 0 318.395 1.300 10 0 DDAERM Cc1nn(C)c(C[S@@](=O)CCC(=O)[O-])c1Br ZINC000084274536 192418521 /nfs/dbraw/zinc/41/85/21/192418521.db2.gz JHYDJMGNQPLKIA-MRXNPFEDSA-N -1 0 309.185 1.214 10 0 DDAERM Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C)cc(C(=O)[O-])c1F ZINC000149340208 186048901 /nfs/dbraw/zinc/04/89/01/186048901.db2.gz HBNYAJFCPZBLJV-LDYMZIIASA-N -1 0 317.338 1.288 10 0 DDAERM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC000262866028 186316027 /nfs/dbraw/zinc/31/60/27/186316027.db2.gz FPBHUFXJOBUMHD-ZHAHWJHGSA-N -1 0 308.309 1.434 10 0 DDAERM O=C([O-])[C@@H](CF)NC(=O)c1cccnc1OCC(F)(F)F ZINC000262879701 186317983 /nfs/dbraw/zinc/31/79/83/186317983.db2.gz 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CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)C(=O)[O-] ZINC000236876511 202047653 /nfs/dbraw/zinc/04/76/53/202047653.db2.gz SKMYHCFPCXKPAX-FKZOYECMSA-N -1 0 324.421 1.783 10 0 DDAERM COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1Cl ZINC000086815903 192599060 /nfs/dbraw/zinc/59/90/60/192599060.db2.gz DAFSWVHMOVAMQJ-LLVKDONJSA-N -1 0 312.753 1.124 10 0 DDAERM CC[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000087014399 192612104 /nfs/dbraw/zinc/61/21/04/192612104.db2.gz LCINSNHZBFDNHS-GFCCVEGCSA-N -1 0 321.782 1.478 10 0 DDAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000237239271 202199893 /nfs/dbraw/zinc/19/98/93/202199893.db2.gz RLIKWYHZWJQCTN-FZMZJTMJSA-N -1 0 302.330 1.411 10 0 DDAERM C[C@@H](NC(=O)c1ccco1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000178478354 198874905 /nfs/dbraw/zinc/87/49/05/198874905.db2.gz NKTYGAVBAOMWSC-LLVKDONJSA-N -1 0 322.361 1.549 10 0 DDAERM CC(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C(=O)[O-])s1 ZINC000089403601 192781899 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O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CC=CCC2)C[C@H]1C(F)(F)F ZINC000263236572 304130631 /nfs/dbraw/zinc/13/06/31/304130631.db2.gz NFAXDHUWGSJPSP-IVZWLZJFSA-N -1 0 306.284 2.000 10 0 DDAERM Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)o1 ZINC000092114680 193162197 /nfs/dbraw/zinc/16/21/97/193162197.db2.gz BVBILMVNVIHVKG-UHFFFAOYSA-N -1 0 313.306 1.904 10 0 DDAERM O=C([O-])C1(NC(=O)c2cc(-c3ccco3)n[nH]2)CCSCC1 ZINC000262154556 203212720 /nfs/dbraw/zinc/21/27/20/203212720.db2.gz MENKGYHXDOUFGG-UHFFFAOYSA-N -1 0 321.358 1.750 10 0 DDAERM Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=S)cnn2C)cc1 ZINC000093355483 193237306 /nfs/dbraw/zinc/23/73/06/193237306.db2.gz GPVFHWGAWXFBGN-UHFFFAOYSA-N -1 0 310.404 1.164 10 0 DDAERM COCc1nc(-c2cnn(C)c2C)[n-]c(=O)c1Br ZINC000093651487 193285238 /nfs/dbraw/zinc/28/52/38/193285238.db2.gz LGFBIBLWRXHCCJ-UHFFFAOYSA-N -1 0 313.155 1.800 10 0 DDAERM COc1cc(C(=O)N[C@H](CF)C(=O)[O-])ccc1OCC(C)C ZINC000262957589 203420179 /nfs/dbraw/zinc/42/01/79/203420179.db2.gz NNKBZGBRYSVDHX-LLVKDONJSA-N 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O=C([O-])[C@H](CC[C@@H](O)C(F)(F)F)NC(=O)c1ccccc1 ZINC000012505896 406847002 /nfs/dbraw/zinc/84/70/02/406847002.db2.gz JSBGFGISEDFDKJ-VHSXEESVSA-N -1 0 305.252 1.573 10 0 DDAERM C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)C(=O)N(C)C ZINC000080002966 407068643 /nfs/dbraw/zinc/06/86/43/407068643.db2.gz PZZZZTMPEMXSSR-LURJTMIESA-N -1 0 305.161 1.906 10 0 DDAERM Cc1oc(CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1C(=O)[O-] ZINC000261863862 407646616 /nfs/dbraw/zinc/64/66/16/407646616.db2.gz GIVPARSEABYYBX-MRVPVSSYSA-N -1 0 310.350 1.453 10 0 DDAERM COCC[C@H](NC(=O)c1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000261926334 407675427 /nfs/dbraw/zinc/67/54/27/407675427.db2.gz IQLAJPCPLFDNHX-NSHDSACASA-N -1 0 304.302 1.561 10 0 DDAERM Cc1nc(C)c(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)s1 ZINC000262896620 407963737 /nfs/dbraw/zinc/96/37/37/407963737.db2.gz IHNCPGSDAWCNFH-NSHDSACASA-N -1 0 312.391 1.617 10 0 DDAERM COc1cc(F)cc(C[C@@H](C)NC(=O)N(C)CCC(=O)[O-])c1 ZINC000263348205 408114605 /nfs/dbraw/zinc/11/46/05/408114605.db2.gz HDPSTYLWJGSQMB-SNVBAGLBSA-N -1 0 312.341 1.881 10 0 DDAERM CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(N[C@H](C)C(=O)[O-])n1 ZINC000263403722 408130937 /nfs/dbraw/zinc/13/09/37/408130937.db2.gz JYYDJJMESPLMDI-NTZNESFSSA-N -1 0 308.382 1.977 10 0 DDAERM Cc1nnc2n1C[C@@H](C(=O)[O-])N(Cc1ccc(F)cc1Cl)C2 ZINC000263558361 408172705 /nfs/dbraw/zinc/17/27/05/408172705.db2.gz AGPVKXKRKFNPOY-LBPRGKRZSA-N -1 0 324.743 1.848 10 0 DDAERM CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(C)C ZINC000134696631 162083985 /nfs/dbraw/zinc/08/39/85/162083985.db2.gz IEGPWRLKUMDIEM-MRVPVSSYSA-N -1 0 306.409 1.643 10 0 DDAERM CCn1cc([C@H]2CN(C(=O)c3ccc(F)cc3[O-])CCO2)cn1 ZINC000191791886 408492714 /nfs/dbraw/zinc/49/27/14/408492714.db2.gz SCJUXAOTGYHNJL-OAHLLOKOSA-N -1 0 319.336 1.961 10 0 DDAERM CC[C@@H](C)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262317514 163805875 /nfs/dbraw/zinc/80/58/75/163805875.db2.gz QYMYARCGRZOENX-BMIGLBTASA-N -1 0 307.346 1.616 10 0 DDAERM CC(C)[C@H](C)NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000037238995 418414701 /nfs/dbraw/zinc/41/47/01/418414701.db2.gz NMNCXZUKQJUDAW-NSHDSACASA-N -1 0 315.391 1.863 10 0 DDAERM C[C@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)CCCC(F)(F)F ZINC000384497025 418734758 /nfs/dbraw/zinc/73/47/58/418734758.db2.gz WAPBTUDTKFTQLF-DTWKUNHWSA-N -1 0 317.329 1.844 10 0 DDAERM C[C@@H](COCc1ccccc1)NC(=O)C1(C(=O)[O-])CCOCC1 ZINC000630293810 422008356 /nfs/dbraw/zinc/00/83/56/422008356.db2.gz AZIUESIGSCRGEJ-ZDUSSCGKSA-N -1 0 321.373 1.589 10 0 DDAERM COc1cc(I)cc(CC(=O)[O-])c1N ZINC000575719679 422314201 /nfs/dbraw/zinc/31/42/01/422314201.db2.gz YPQVJXQJPHHDEB-UHFFFAOYSA-N -1 0 307.087 1.509 10 0 DDAERM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(C)C ZINC000034958862 263254125 /nfs/dbraw/zinc/25/41/25/263254125.db2.gz WADVNPJXXRQHLK-VIFPVBQESA-N -1 0 301.364 1.722 10 0 DDAERM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2COc3ccccc3O2)C1 ZINC000261944509 280119914 /nfs/dbraw/zinc/11/99/14/280119914.db2.gz VHTJOFKYGIMNSW-RHSMWYFYSA-N -1 0 319.357 1.786 10 0 DDAERM COc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000261765251 295094590 /nfs/dbraw/zinc/09/45/90/295094590.db2.gz VKYYVJBRUSPDPK-DRZSPHRISA-N -1 0 304.346 1.948 10 0 DDAERM CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000164890610 298214274 /nfs/dbraw/zinc/21/42/74/298214274.db2.gz HMSWSKRXNHRFKP-GXTWGEPZSA-N -1 0 318.439 1.729 10 0 DDAERM Cc1c(C(=O)[O-])sc2ncn(N3CCC(C)CC3)c(=O)c12 ZINC000057346766 300950698 /nfs/dbraw/zinc/95/06/98/300950698.db2.gz RGESIXJTHULUOH-UHFFFAOYSA-N -1 0 307.375 1.833 10 0 DDAERM Cc1nnc2n1C[C@@H](C(=O)[O-])N(Cc1cc(C)cc(C)c1)C2 ZINC000263561959 302830059 /nfs/dbraw/zinc/83/00/59/302830059.db2.gz CMOZRYHNKVAWDP-AWEZNQCLSA-N -1 0 300.362 1.672 10 0 DDAERM Cc1nnc2n1C[C@@H](C(=O)[O-])N(Cc1ccc(Cl)cc1F)C2 ZINC000263575033 302830215 /nfs/dbraw/zinc/83/02/15/302830215.db2.gz OHSKAOGFOJRVDD-LBPRGKRZSA-N -1 0 324.743 1.848 10 0 DDAERM NC(=O)[C@H]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000262083412 303328768 /nfs/dbraw/zinc/32/87/68/303328768.db2.gz BTZKYVMCKYEYLR-LBPRGKRZSA-N -1 0 304.346 1.041 10 0 DDAERM CC[C@H](C)[C@@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC000036983388 337361593 /nfs/dbraw/zinc/36/15/93/337361593.db2.gz IAPDBONEKCUEPZ-CMPLNLGQSA-N -1 0 306.428 1.585 10 0 DDAERM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037836476 337368200 /nfs/dbraw/zinc/36/82/00/337368200.db2.gz DLRJCNLHZRYJGB-SCZZXKLOSA-N -1 0 301.368 1.307 10 0 DDAERM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H]1CCC(=O)[O-] ZINC000380788953 483959785 /nfs/dbraw/zinc/95/97/85/483959785.db2.gz USLCROAQIAGKKV-SNVBAGLBSA-N -1 0 301.368 1.044 10 0 DDAERM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)O1 ZINC000121351061 696708991 /nfs/dbraw/zinc/70/89/91/696708991.db2.gz YZRCZZQGKLFOQU-YPMHNXCESA-N -1 0 312.391 1.047 10 0 DDAERM CC(C)Cc1ccc([C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000032603246 696124934 /nfs/dbraw/zinc/12/49/34/696124934.db2.gz XEGBMLNWQNPZSH-GFCCVEGCSA-N -1 0 320.389 1.306 10 0 DDAERM O=C([O-])c1ccc(F)c(S(=O)(=O)NCC[C@H]2CCCO2)c1 ZINC000037981787 696134892 /nfs/dbraw/zinc/13/48/92/696134892.db2.gz ADAYECWDBDZPGL-SNVBAGLBSA-N -1 0 317.338 1.371 10 0 DDAERM COC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000132782126 696819023 /nfs/dbraw/zinc/81/90/23/696819023.db2.gz VMLBFXDRXXEHTI-QMMMGPOBSA-N -1 0 307.318 1.193 10 0 DDAERM N#Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c[nH]1 ZINC000181389059 697459841 /nfs/dbraw/zinc/45/98/41/697459841.db2.gz JMHWJIIKENKBKY-UHFFFAOYSA-N -1 0 307.306 1.285 10 0 DDAERM CCCC[C@H](NC(=O)[C@H]1CC(=O)N(C(CC)CC)C1)C(=O)[O-] ZINC000184952326 697510783 /nfs/dbraw/zinc/51/07/83/697510783.db2.gz LDTNESRWUBNPLL-AAEUAGOBSA-N -1 0 312.410 1.783 10 0 DDAERM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000192247925 697624448 /nfs/dbraw/zinc/62/44/48/697624448.db2.gz IIELGEKORPYXEP-GXFFZTMASA-N -1 0 315.366 1.754 10 0 DDAERM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCc1nnc2ccccn21 ZINC000222432999 697757090 /nfs/dbraw/zinc/75/70/90/697757090.db2.gz QSBVHNLFMMPDER-NWDGAFQWSA-N -1 0 316.361 1.279 10 0 DDAERM Cc1nccn1CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000226810562 697767567 /nfs/dbraw/zinc/76/75/67/697767567.db2.gz WHYCRWNUPIRFQS-CQSZACIVSA-N -1 0 317.345 1.961 10 0 DDAERM COC[C@H](NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)[O-] ZINC000262105129 698454503 /nfs/dbraw/zinc/45/45/03/698454503.db2.gz JDAVVVXDNYSVCD-HZSPNIEDSA-N -1 0 307.346 1.370 10 0 DDAERM CCOC(=O)C1CCC(NC(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC000263048833 698489458 /nfs/dbraw/zinc/48/94/58/698489458.db2.gz QVDWJMQYKHDUMY-VOMCLLRMSA-N -1 0 314.382 1.470 10 0 DDAERM C[C@H](CN(C)C(=O)NC[C@@H]1COC2(CCCC2)O1)C(=O)[O-] ZINC000263216706 698496784 /nfs/dbraw/zinc/49/67/84/698496784.db2.gz JPJHKANXAOSPLW-GHMZBOCLSA-N -1 0 300.355 1.034 10 0 DDAERM C[C@@H](CN(C)C(=O)NCc1c2c(nn1C)CCCC2)C(=O)[O-] ZINC000263343951 698500760 /nfs/dbraw/zinc/50/07/60/698500760.db2.gz GDSURIWFANFKKH-JTQLQIEISA-N -1 0 308.382 1.161 10 0 DDAERM O=C([O-])c1cn(CC(=O)N[C@@H]2CCCc3cc(F)ccc32)nn1 ZINC000263349287 698501480 /nfs/dbraw/zinc/50/14/80/698501480.db2.gz OZAKFPCOOZBJGD-GFCCVEGCSA-N -1 0 318.308 1.309 10 0 DDAERM O=C(c1ccc(Br)o1)N1CCC[C@@H]1c1nnn[n-]1 ZINC000720638343 699306993 /nfs/dbraw/zinc/30/69/93/699306993.db2.gz VKPKLHZKGGTFLX-ZCFIWIBFSA-N -1 0 312.127 1.533 10 0 DDAERM O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nnn[n-]1 ZINC000720637281 699307114 /nfs/dbraw/zinc/30/71/14/699307114.db2.gz MPXHYTMBTQVNJS-SNVBAGLBSA-N -1 0 322.166 1.940 10 0 DDAERM CCOC(=O)CS(=O)(=O)C=C([O-])c1ccc(F)c(F)c1 ZINC000081908825 192337574 /nfs/dbraw/zinc/33/75/74/192337574.db2.gz FOYZELJQOMURAS-UHFFFAOYSA-N -1 0 306.286 1.125 10 0 DDAERM C[C@H](CS(C)(=O)=O)NC(=O)c1sccc1/C=C/C(=O)[O-] ZINC000081906006 192338178 /nfs/dbraw/zinc/33/81/78/192338178.db2.gz KLVNMOYYNLTCLF-MPJRPATESA-N -1 0 317.388 1.009 10 0 DDAERM CC(C)C[C@@H](NC(N)=O)C(=O)NCC[C@H](C)CCC(=O)[O-] ZINC000079056144 185150894 /nfs/dbraw/zinc/15/08/94/185150894.db2.gz JKEYQUXOPUKYFK-GHMZBOCLSA-N -1 0 301.387 1.077 10 0 DDAERM CC(=O)c1cccc(S(=O)(=O)[N-]c2[nH]nc3ncccc23)c1 ZINC000082347794 185176900 /nfs/dbraw/zinc/17/69/00/185176900.db2.gz IISOIIZVVBLVFB-UHFFFAOYSA-N -1 0 316.342 1.961 10 0 DDAERM CCOC(=O)[C@@H]1CCCCN1C(=O)NC[C@@H](CC)C(=O)[O-] ZINC000087490587 185226458 /nfs/dbraw/zinc/22/64/58/185226458.db2.gz RJZWZOPTUZJFRU-MNOVXSKESA-N -1 0 300.355 1.224 10 0 DDAERM CCOC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000087497589 185226765 /nfs/dbraw/zinc/22/67/65/185226765.db2.gz LOPWFNIWSIEGMR-MNOVXSKESA-N -1 0 300.355 1.080 10 0 DDAERM CCC[C@@H](CNc1ccccc1S(=O)(=O)NCC)C(=O)[O-] ZINC000087511781 185227354 /nfs/dbraw/zinc/22/73/54/185227354.db2.gz MNYZGTOZKOCFEP-NSHDSACASA-N -1 0 314.407 1.898 10 0 DDAERM CC[C@H](C)[C@@H](NC(N)=O)C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000087622806 185229222 /nfs/dbraw/zinc/22/92/22/185229222.db2.gz FEFASZRRNRVNAY-DTWKUNHWSA-N -1 0 301.387 1.075 10 0 DDAERM C[C@H]1CCCN(S(=O)(=O)NC(C)(C)C(C)(C)C(=O)[O-])C1 ZINC000087623376 185229390 /nfs/dbraw/zinc/22/93/90/185229390.db2.gz 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Cc1nnc(-n2c(C)c3c(cc2=O)[n-]n(-c2ccccc2)c3=O)[nH]1 ZINC000072445865 191168848 /nfs/dbraw/zinc/16/88/48/191168848.db2.gz NLXYLUXYCVXEDU-UHFFFAOYSA-N -1 0 322.328 1.205 10 0 DDAERM CC(=O)OCCN(CCOC(C)=O)c1ccc(C(=O)[O-])cc1 ZINC000044199137 352381531 /nfs/dbraw/zinc/38/15/31/352381531.db2.gz JCJPSSDSVBKXAD-UHFFFAOYSA-N -1 0 309.318 1.317 10 0 DDAERM CC[C@](C)(OC)c1ncc(I)c(=O)[n-]1 ZINC000159246676 354233336 /nfs/dbraw/zinc/23/33/36/354233336.db2.gz ZVANAJUTZUXYOE-VIFPVBQESA-N -1 0 308.119 1.646 10 0 DDAERM C[C@@H]1CCN(S(=O)(=O)N(C)C2CCCCC2)[C@@H]1C(=O)[O-] ZINC000230109700 354325120 /nfs/dbraw/zinc/32/51/20/354325120.db2.gz DNBVNSRYAKCBNR-PWSUYJOCSA-N -1 0 304.412 1.291 10 0 DDAERM O=C([O-])c1n[nH]c([C@H]2CCN(C(=O)OCc3ccccc3)C2)n1 ZINC000536956576 354692728 /nfs/dbraw/zinc/69/27/28/354692728.db2.gz ZCDYLPHTQITFNM-NSHDSACASA-N -1 0 316.317 1.629 10 0 DDAERM CCc1c2nn(CC(=O)[O-])c(=O)n2c(-c2ccccc2)nc1C ZINC000073694959 191343222 /nfs/dbraw/zinc/34/32/22/191343222.db2.gz 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1.497 10 0 DDAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000237245420 202202690 /nfs/dbraw/zinc/20/26/90/202202690.db2.gz MAXRQRGPQNJBGU-KBPBESRZSA-N -1 0 315.329 1.186 10 0 DDAERM CCc1nn(C)c(CSCC[C@@H](NC=O)C(=O)[O-])c1Cl ZINC000089320161 192767666 /nfs/dbraw/zinc/76/76/66/192767666.db2.gz RRKLIXUWNXPWJW-SECBINFHSA-N -1 0 319.814 1.458 10 0 DDAERM O=c1[n-]c(Cc2nc3ccccc3[nH]2)ncc1Br ZINC000090747594 192928132 /nfs/dbraw/zinc/92/81/32/192928132.db2.gz QVFKAYPKLUWSQI-UHFFFAOYSA-N -1 0 305.135 2.000 10 0 DDAERM O=C([O-])c1csc(CNC2=NS(=O)(=O)c3ccccc32)n1 ZINC000090933153 192953886 /nfs/dbraw/zinc/95/38/86/192953886.db2.gz OHKSYFYTDSKXFR-UHFFFAOYSA-N -1 0 323.355 1.080 10 0 DDAERM C[C@@H](Nc1nccn(C2CC2)c1=O)c1nc(C(=O)[O-])cs1 ZINC000090943064 192959398 /nfs/dbraw/zinc/95/93/98/192959398.db2.gz YHQCEFHQDDNRPE-SSDOTTSWSA-N -1 0 306.347 1.906 10 0 DDAERM C[C@](O)(CNC(=O)c1cc(-c2cccs2)on1)CC(=O)[O-] ZINC000091520306 193067728 /nfs/dbraw/zinc/06/77/28/193067728.db2.gz 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/nfs/dbraw/zinc/16/33/33/193163333.db2.gz JAKBUAVCYSHYSU-UHFFFAOYSA-N -1 0 300.267 1.189 10 0 DDAERM O=C(CCNC(=O)c1ccsc1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000092179974 193170373 /nfs/dbraw/zinc/17/03/73/193170373.db2.gz LGUTUPCHPHHKBV-KOLCDFICSA-N -1 0 308.359 1.014 10 0 DDAERM Cc1noc(C)c1CSCC(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000092180155 193170429 /nfs/dbraw/zinc/17/04/29/193170429.db2.gz PPRMMLMKUXZLQE-WDEREUQCSA-N -1 0 310.375 1.670 10 0 DDAERM Cc1ccc(OCCC(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000262218044 203232786 /nfs/dbraw/zinc/23/27/86/203232786.db2.gz MCCLHEWKDJXMJS-UKRRQHHQSA-N -1 0 321.373 1.773 10 0 DDAERM Cn1c(CCNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])nc2ccc(F)cc21 ZINC000262239422 203238085 /nfs/dbraw/zinc/23/80/85/203238085.db2.gz VZODGFHRIFTLFD-QWRGUYRKSA-N -1 0 319.336 1.482 10 0 DDAERM Cc1ccc(OCC(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)cc1 ZINC000262275313 203247536 /nfs/dbraw/zinc/24/75/36/203247536.db2.gz YRWQYLCLVNDATR-CABCVRRESA-N -1 0 303.358 1.943 10 0 DDAERM COc1c(Cl)cc(C(=O)NCCOCC(=O)[O-])cc1Cl ZINC000093227444 193218970 /nfs/dbraw/zinc/21/89/70/193218970.db2.gz ATVCRXSQKALQJQ-UHFFFAOYSA-N -1 0 322.144 1.833 10 0 DDAERM CC(C)[C@H](NC(=O)NCCOCC(=O)[O-])c1cccs1 ZINC000093229740 193220146 /nfs/dbraw/zinc/22/01/46/193220146.db2.gz APGGTKTYGMUQSX-LBPRGKRZSA-N -1 0 300.380 1.846 10 0 DDAERM Cn1ncc(C(N)=S)c1NC(=O)c1ccc(Cl)cc1[O-] ZINC000093351778 193235770 /nfs/dbraw/zinc/23/57/70/193235770.db2.gz HCRLWYGLMNYGCT-UHFFFAOYSA-N -1 0 310.766 1.666 10 0 DDAERM C[C@H](Cc1cccs1)N(C)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000093292363 193225246 /nfs/dbraw/zinc/22/52/46/193225246.db2.gz BVGLHSAGHLKKIU-QMTHXVAHSA-N -1 0 312.391 1.564 10 0 DDAERM C[C@H](Cc1cccs1)N(C)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000093292631 193225523 /nfs/dbraw/zinc/22/55/23/193225523.db2.gz LFMLJBZCZNFICW-NOZJJQNGSA-N -1 0 300.380 1.156 10 0 DDAERM CC(C)OCCS(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1N ZINC000093665075 193285708 /nfs/dbraw/zinc/28/57/08/193285708.db2.gz IJKFDMLEEKWNIT-UHFFFAOYSA-N -1 0 316.379 1.158 10 0 DDAERM CCN1C[C@@H](C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1=O ZINC000263075958 203434479 /nfs/dbraw/zinc/43/44/79/203434479.db2.gz KJZBHWLNVQGZCO-LBPRGKRZSA-N -1 0 320.345 1.338 10 0 DDAERM Cc1ccc(Br)cc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262926809 203415714 /nfs/dbraw/zinc/41/57/14/203415714.db2.gz KYOOGMSBWZTWEI-VIFPVBQESA-N -1 0 304.115 1.910 10 0 DDAERM CCN1CCO[C@@H](COc2c(F)cc(C(=O)[O-])cc2F)C1 ZINC000094348688 193363700 /nfs/dbraw/zinc/36/37/00/193363700.db2.gz CBJYPFGGSAFHMW-SNVBAGLBSA-N -1 0 301.289 1.763 10 0 DDAERM CCNS(=O)(=O)c1ccccc1N[C@](C)(CC)C(=O)[O-] ZINC000094221681 193350641 /nfs/dbraw/zinc/35/06/41/193350641.db2.gz FKUXOZRNXYNSKO-CYBMUJFWSA-N -1 0 300.380 1.650 10 0 DDAERM CN(Cc1cscn1)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC000094226143 193351808 /nfs/dbraw/zinc/35/18/08/193351808.db2.gz ANYVLIGCSGKQSN-VIFPVBQESA-N -1 0 311.285 1.690 10 0 DDAERM Cc1csc(NC(=O)CN[C@@](C)(C(=O)[O-])C(F)(F)F)n1 ZINC000094230145 193352303 /nfs/dbraw/zinc/35/23/03/193352303.db2.gz DXOBNPMDIOZOQC-VIFPVBQESA-N -1 0 311.285 1.385 10 0 DDAERM C[C@](NCC(=O)NCc1ccccc1)(C(=O)[O-])C(F)(F)F ZINC000094230216 193352400 /nfs/dbraw/zinc/35/24/00/193352400.db2.gz BMNOCHGHYRRCJO-LBPRGKRZSA-N -1 0 304.268 1.298 10 0 DDAERM CC(C)C[C@@H](CNc1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC000094703588 193392079 /nfs/dbraw/zinc/39/20/79/193392079.db2.gz HTYDTBNQJNDPEB-VIFPVBQESA-N -1 0 318.370 1.632 10 0 DDAERM Cn1c(Cl)c(Cl)cc1C(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000094557520 193379553 /nfs/dbraw/zinc/37/95/53/193379553.db2.gz BSCKJVHFBNRREU-HZGVNTEJSA-N -1 0 321.160 1.694 10 0 DDAERM O=C([O-])[C@@H]1CC[C@H](CNC(=O)N2CCc3sccc3C2)O1 ZINC000094561617 193380101 /nfs/dbraw/zinc/38/01/01/193380101.db2.gz PFOZSOYDHCZNNM-MNOVXSKESA-N -1 0 310.375 1.448 10 0 DDAERM Cc1cccc(CN(C)S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000094911671 193405841 /nfs/dbraw/zinc/40/58/41/193405841.db2.gz OTWZSSUMHLTJPR-UHFFFAOYSA-N -1 0 309.347 1.237 10 0 DDAERM Nn1c(Cc2ccc(F)c(F)c2)nnc1SCC(=O)[O-] ZINC000095055602 193415720 /nfs/dbraw/zinc/41/57/20/193415720.db2.gz FEQFVOGLOWVNTJ-UHFFFAOYSA-N -1 0 300.290 1.038 10 0 DDAERM NS(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000094745383 193394798 /nfs/dbraw/zinc/39/47/98/193394798.db2.gz RXYNDVITNVGHSW-CHWSQXEVSA-N -1 0 312.391 1.779 10 0 DDAERM CNC(=O)NC(=O)[C@H](C)Sc1nc(C)cc(C)c1C(=O)[O-] ZINC000013033890 181824520 /nfs/dbraw/zinc/82/45/20/181824520.db2.gz GENBRZHWFPZLTD-QMMMGPOBSA-N -1 0 311.363 1.333 10 0 DDAERM O=C([O-])[C@H](CF)NC(=O)CCc1ccc(OC(F)F)cc1 ZINC000262969849 304170642 /nfs/dbraw/zinc/17/06/42/304170642.db2.gz OOTNMIYWSTUOJC-JTQLQIEISA-N -1 0 305.252 1.760 10 0 DDAERM NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000019979689 182173043 /nfs/dbraw/zinc/17/30/43/182173043.db2.gz PSSNEJGZALZGNK-VIFPVBQESA-N -1 0 319.144 1.442 10 0 DDAERM Cc1c(C(N)=O)sc2nc(C)n(CCCC(=O)[O-])c(=O)c12 ZINC000020375812 182212818 /nfs/dbraw/zinc/21/28/18/182212818.db2.gz ZQDCOULLFQFYQJ-UHFFFAOYSA-N -1 0 309.347 1.039 10 0 DDAERM CC(C)(Cn1nnc2sc3c(c2c1=O)CCCC3)C(=O)[O-] ZINC000020377025 182213054 /nfs/dbraw/zinc/21/30/54/182213054.db2.gz WAWQYQYNRATGIJ-UHFFFAOYSA-N -1 0 307.375 1.843 10 0 DDAERM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(N)c2)n(C)n1 ZINC000020544857 182229177 /nfs/dbraw/zinc/22/91/77/182229177.db2.gz IVHXRGPWLQHODZ-UHFFFAOYSA-N -1 0 300.771 1.765 10 0 DDAERM O=C([O-])[C@@H]1C[C@H](O)CN1c1ncc(C(F)(F)F)cc1Cl ZINC000021045130 182263517 /nfs/dbraw/zinc/26/35/17/182263517.db2.gz FWHXHFNCLAJBPV-XPUUQOCRSA-N -1 0 310.659 1.778 10 0 DDAERM Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)[O-])c2=O)cc1C ZINC000035828702 182789437 /nfs/dbraw/zinc/78/94/37/182789437.db2.gz WAOGAWPOJNCVHL-UHFFFAOYSA-N -1 0 324.336 1.854 10 0 DDAERM O=C([O-])[C@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCO1 ZINC000263320428 304197560 /nfs/dbraw/zinc/19/75/60/304197560.db2.gz IUVVYALUJCFKPE-QEORTHHSSA-N -1 0 317.341 1.039 10 0 DDAERM CC(C)(C)C(=O)Nc1cccc(OCC(=O)NCC(=O)[O-])c1 ZINC000039891254 183022425 /nfs/dbraw/zinc/02/24/25/183022425.db2.gz FCJKBYJUQHFBAN-UHFFFAOYSA-N -1 0 308.334 1.251 10 0 DDAERM Nc1cc(S(=O)(=O)[N-]CC(F)(F)F)c(Cl)cc1F ZINC000040314277 183054162 /nfs/dbraw/zinc/05/41/62/183054162.db2.gz SVKYLONCRGYPBH-UHFFFAOYSA-N -1 0 306.668 1.902 10 0 DDAERM CC[C@@H](C)[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-] ZINC000040490802 183079675 /nfs/dbraw/zinc/07/96/75/183079675.db2.gz SCLDCNKNVWEPNY-AQWVNGNSSA-N -1 0 314.407 1.056 10 0 DDAERM COCCNC(=O)Nc1cc(OC)c(C(=O)[O-])cc1Cl ZINC000040524950 183091309 /nfs/dbraw/zinc/09/13/09/183091309.db2.gz HNVGKWZHAUSVTE-UHFFFAOYSA-N -1 0 302.714 1.815 10 0 DDAERM O=C([O-])[C@H](CCO)NC(=O)c1ccccc1SC(F)F ZINC000040698377 183119328 /nfs/dbraw/zinc/11/93/28/183119328.db2.gz GPVFJFZXMIHEDM-QMMMGPOBSA-N -1 0 305.302 1.567 10 0 DDAERM Cc1cc(S(=O)(=O)N[C@H](CO)CC(C)C)sc1C(=O)[O-] ZINC000040777297 183132566 /nfs/dbraw/zinc/13/25/66/183132566.db2.gz KVTZLWSFJADVPC-VIFPVBQESA-N -1 0 321.420 1.440 10 0 DDAERM CCOC(=O)c1c(C)c(C)sc1NC(=O)COCC(=O)[O-] ZINC000041064223 183161626 /nfs/dbraw/zinc/16/16/26/183161626.db2.gz YEZUVPDITRFJRT-UHFFFAOYSA-N -1 0 315.347 1.581 10 0 DDAERM COc1ccc(C(=O)COCC(=O)[O-])cc1Br ZINC000041071632 183163174 /nfs/dbraw/zinc/16/31/74/183163174.db2.gz XUBGJZVYVJUPFU-UHFFFAOYSA-N -1 0 303.108 1.742 10 0 DDAERM COc1ccc(NC(=O)NC(=O)COCC(=O)[O-])cc1Cl ZINC000041073722 183163238 /nfs/dbraw/zinc/16/32/38/183163238.db2.gz PTUBCTIBLINMJA-UHFFFAOYSA-N -1 0 316.697 1.098 10 0 DDAERM NC(=O)COc1c(Br)cccc1/C=C/C(=O)[O-] ZINC000042412624 183266315 /nfs/dbraw/zinc/26/63/15/183266315.db2.gz QOIHNFMVEYFYTE-SNAWJCMRSA-N -1 0 300.108 1.411 10 0 DDAERM C[C@@H](C(=O)[O-])S(=O)(=O)Nc1cccc(Br)c1 ZINC000042521361 183280526 /nfs/dbraw/zinc/28/05/26/183280526.db2.gz ZAUIRALXVOKHPI-LURJTMIESA-N -1 0 308.153 1.664 10 0 DDAERM C[C@H](CN(C)c1ccccc1S(=O)(=O)NC1CC1)C(=O)[O-] ZINC000042704071 183299891 /nfs/dbraw/zinc/29/98/91/183299891.db2.gz VLAGCKOHGKQXBH-SNVBAGLBSA-N -1 0 312.391 1.284 10 0 DDAERM COC(=O)[C@H](C)CN(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000042711397 183300608 /nfs/dbraw/zinc/30/06/08/183300608.db2.gz NPICBBPKCGTBFH-KPPDAEKUSA-N -1 0 300.355 1.080 10 0 DDAERM COC(=O)[C@@H](CC(C)C)NC(=O)N(CC(=O)[O-])CC1CC1 ZINC000043438294 183363331 /nfs/dbraw/zinc/36/33/31/183363331.db2.gz SRDMMCJLBRPULG-LLVKDONJSA-N -1 0 300.355 1.080 10 0 DDAERM COC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](CCSC)C(=O)[O-] ZINC000043438355 183364040 /nfs/dbraw/zinc/36/40/40/183364040.db2.gz VVXHZNPRQDOXOJ-NXEZZACHSA-N -1 0 320.411 1.080 10 0 DDAERM CC[C@@H](C)[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)OC)C(=O)[O-] ZINC000043438380 183364527 /nfs/dbraw/zinc/36/45/27/183364527.db2.gz SBSCBPVANCDCLH-VWYCJHECSA-N -1 0 302.371 1.373 10 0 DDAERM O=C([O-])[C@@]1(NC(=O)CSc2ccccc2F)CCSC1 ZINC000043510550 183368817 /nfs/dbraw/zinc/36/88/17/183368817.db2.gz QRAXMDAUIDMUFB-CYBMUJFWSA-N -1 0 315.391 1.994 10 0 DDAERM C[C@H](O)[C@@H](NC(=O)N(C)Cc1ccccc1Cl)C(=O)[O-] ZINC000048879521 183693474 /nfs/dbraw/zinc/69/34/74/183693474.db2.gz VXUGIVOERJMZMW-GZMMTYOYSA-N -1 0 300.742 1.315 10 0 DDAERM CC(C)[C@H](NC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c1cccs1 ZINC000049561085 183742419 /nfs/dbraw/zinc/74/24/19/183742419.db2.gz DDQOODBTECWZNK-DVVUODLYSA-N -1 0 300.380 1.578 10 0 DDAERM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N1CCS(=O)CC1 ZINC000049693165 183754402 /nfs/dbraw/zinc/75/44/02/183754402.db2.gz NBJAUQCGFUDKHH-UHFFFAOYSA-N -1 0 310.375 1.001 10 0 DDAERM CCn1cc(S(=O)(=O)NCc2ccc(C)o2)cc1C(=O)[O-] ZINC000053036830 183883787 /nfs/dbraw/zinc/88/37/87/183883787.db2.gz VEVFHPPHXZXHBE-UHFFFAOYSA-N -1 0 312.347 1.586 10 0 DDAERM Cc1nc(CNC(=O)N2C[C@@H](C)O[C@H](C)C2)sc1C(=O)[O-] ZINC000110789638 194357985 /nfs/dbraw/zinc/35/79/85/194357985.db2.gz KMTRGXGOGWICML-HTQZYQBOSA-N -1 0 313.379 1.469 10 0 DDAERM CCN(CCOC)C(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000110790232 194358178 /nfs/dbraw/zinc/35/81/78/194358178.db2.gz JOXJOASNMSWPLX-UHFFFAOYSA-N -1 0 301.368 1.328 10 0 DDAERM CC(C)NS(=O)(=O)c1ccc(NC[C@@H](C)C(=O)[O-])cc1 ZINC000054334677 183934693 /nfs/dbraw/zinc/93/46/93/183934693.db2.gz WCSPRKWITDLOJR-SNVBAGLBSA-N -1 0 300.380 1.506 10 0 DDAERM CN(CC1CCCC1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000110837079 194363181 /nfs/dbraw/zinc/36/31/81/194363181.db2.gz KFBSVAZLDPLPEX-GFCCVEGCSA-N -1 0 304.412 1.292 10 0 DDAERM CC[C@H](C(=O)[O-])N1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000057843152 184056994 /nfs/dbraw/zinc/05/69/94/184056994.db2.gz TYOZKNRJIRTBMT-ABAIWWIYSA-N -1 0 306.318 1.325 10 0 DDAERM CCOC(=O)C1CCN(C(=O)N(C)C(C)(C)C(=O)[O-])CC1 ZINC000061173686 184164075 /nfs/dbraw/zinc/16/40/75/184164075.db2.gz BZRUVWLFKDLAEB-UHFFFAOYSA-N -1 0 300.355 1.177 10 0 DDAERM CCN(C(=O)c1cccc(S(C)(=O)=O)c1)[C@H](C)CC(=O)[O-] ZINC000061178080 184164749 /nfs/dbraw/zinc/16/47/49/184164749.db2.gz YLWZNZOITDZWBW-SNVBAGLBSA-N -1 0 313.375 1.415 10 0 DDAERM CCN(C(=O)N1CCC(C(=O)OC)CC1)[C@@H](C)CC(=O)[O-] ZINC000061212766 184165849 /nfs/dbraw/zinc/16/58/49/184165849.db2.gz RKCQLNLZOTVXSD-JTQLQIEISA-N -1 0 300.355 1.177 10 0 DDAERM CCN(C[C@H](C)C(=O)[O-])C(=O)N(CCOC)[C@H](C)COC ZINC000061226048 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/nfs/dbraw/zinc/22/71/14/185227114.db2.gz QAKMHPRLRSOURZ-MRVPVSSYSA-N -1 0 306.771 1.514 10 0 DDAERM CCCNS(=O)(=O)c1ccccc1NC[C@H](CC)C(=O)[O-] ZINC000087509520 185227444 /nfs/dbraw/zinc/22/74/44/185227444.db2.gz WSEKCHLEUJWZTM-NSHDSACASA-N -1 0 314.407 1.898 10 0 DDAERM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1(CC(=O)[O-])CCCCC1 ZINC000087571032 185228317 /nfs/dbraw/zinc/22/83/17/185228317.db2.gz JYQIDBAFYUWIQN-LLVKDONJSA-N -1 0 317.407 1.057 10 0 DDAERM O=C([O-])[C@@H]1CC(=O)N(Cc2sccc2Br)C1 ZINC000087574944 185228841 /nfs/dbraw/zinc/22/88/41/185228841.db2.gz XUXDLFFCMUXIPL-ZCFIWIBFSA-N -1 0 304.165 1.944 10 0 DDAERM CC(C)(NS(=O)(=O)c1cccc(F)c1)C(C)(C)C(=O)[O-] ZINC000087623246 185229267 /nfs/dbraw/zinc/22/92/67/185229267.db2.gz HBTWVOIINYKURE-UHFFFAOYSA-N -1 0 303.355 1.993 10 0 DDAERM CC(C)(NS(=O)(=O)CCc1ccccn1)C(C)(C)C(=O)[O-] ZINC000087623150 185229404 /nfs/dbraw/zinc/22/94/04/185229404.db2.gz KIRKKRGFOKFZJU-UHFFFAOYSA-N -1 0 314.407 1.433 10 0 DDAERM C[C@@H](O)CS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl ZINC000087644669 185229790 /nfs/dbraw/zinc/22/97/90/185229790.db2.gz ATNQGEJMKFAARZ-RXMQYKEDSA-N -1 0 313.158 1.846 10 0 DDAERM COCCOCCNC(=O)N[C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000087676596 185230444 /nfs/dbraw/zinc/23/04/44/185230444.db2.gz NOCGNUKGADINMR-RYUDHWBXSA-N -1 0 304.387 1.228 10 0 DDAERM Cc1csc([C@H](C)NC(=O)NC(=O)CC(C)(C)C(=O)[O-])n1 ZINC000087728284 185231098 /nfs/dbraw/zinc/23/10/98/185231098.db2.gz GDCFEIDNGBIEQJ-QMMMGPOBSA-N -1 0 313.379 1.839 10 0 DDAERM C[C@H](O)[C@H](NC(=O)Nc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000088172072 185240952 /nfs/dbraw/zinc/24/09/52/185240952.db2.gz ZVTARXKHWYMRCI-XNCJUZBTSA-N -1 0 307.133 1.949 10 0 DDAERM CC(=O)N[C@@H](COc1ccc(Br)cc1F)C(=O)[O-] ZINC000088115405 185239769 /nfs/dbraw/zinc/23/97/69/185239769.db2.gz KSERWVFLKHHYQS-VIFPVBQESA-N -1 0 320.114 1.556 10 0 DDAERM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cn1 ZINC000088298345 185244996 /nfs/dbraw/zinc/24/49/96/185244996.db2.gz 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Cc1nn(C)c(C[S@@](=O)[C@H](C)CC(=O)[O-])c1Br ZINC000090098969 185281974 /nfs/dbraw/zinc/28/19/74/185281974.db2.gz QTGBBEUNCABVDV-DDNLTXGXSA-N -1 0 323.212 1.603 10 0 DDAERM CCc1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)n(CC)n1 ZINC000090128433 185283361 /nfs/dbraw/zinc/28/33/61/185283361.db2.gz JHPCEBLFUVMGHD-UHFFFAOYSA-N -1 0 308.363 1.801 10 0 DDAERM O=C([O-])[C@@H](O)CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000090261784 185288498 /nfs/dbraw/zinc/28/84/98/185288498.db2.gz VUFQMPDZPBHXGL-YOLVWIGZSA-N -1 0 304.129 1.568 10 0 DDAERM COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](O)C(=O)[O-] ZINC000090263455 185288505 /nfs/dbraw/zinc/28/85/05/185288505.db2.gz KBWCMWCMVGHAJP-SECBINFHSA-N -1 0 302.714 1.224 10 0 DDAERM CC(C)n1cc(Cl)cc1C(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090362342 185292560 /nfs/dbraw/zinc/29/25/60/185292560.db2.gz UOEDOIVADLTGSH-VHSXEESVSA-N -1 0 300.742 1.552 10 0 DDAERM CCCN(Cc1c(C)nn(C)c1Cl)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090526902 185300792 /nfs/dbraw/zinc/30/07/92/185300792.db2.gz 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CNS(=O)(=O)c1ccccc1N(CC(=O)[O-])C(C)(C)C ZINC000092448611 185319366 /nfs/dbraw/zinc/31/93/66/185319366.db2.gz YUERKXLLCRGGAT-UHFFFAOYSA-N -1 0 300.380 1.284 10 0 DDAERM O=C([O-])c1cn(C2CN(Cc3ccc(Cl)c(F)c3)C2)nn1 ZINC000092699201 185333810 /nfs/dbraw/zinc/33/38/10/185333810.db2.gz VBDAOMODEFFZTC-UHFFFAOYSA-N -1 0 310.716 1.826 10 0 DDAERM Cc1cn2c(CC(=O)N3CC[C@@H](C(=O)[O-])[C@@H]3C)csc2n1 ZINC000092919760 185349009 /nfs/dbraw/zinc/34/90/09/185349009.db2.gz UCOMYRAEZDXBQG-GXSJLCMTSA-N -1 0 307.375 1.568 10 0 DDAERM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)Cc1ccccc1 ZINC000092921545 185349284 /nfs/dbraw/zinc/34/92/84/185349284.db2.gz BIQKHQCOSRQHNQ-WCQYABFASA-N -1 0 312.391 1.158 10 0 DDAERM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000092923310 185349301 /nfs/dbraw/zinc/34/93/01/185349301.db2.gz QIMWTAJWMKUSBA-MFKMUULPSA-N -1 0 312.391 1.236 10 0 DDAERM C[C@H](O)[C@H](NC(=O)CSCc1cccc(Cl)c1)C(=O)[O-] ZINC000036965957 190664347 /nfs/dbraw/zinc/66/43/47/190664347.db2.gz 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SBXBFMSBLJXPCO-MNOVXSKESA-N -1 0 300.355 1.319 10 0 DDAERM CCN(C[C@H](C)C(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000061217756 184166340 /nfs/dbraw/zinc/16/63/40/184166340.db2.gz ZQWHSGCQBBDIGW-NSHDSACASA-N -1 0 314.407 1.484 10 0 DDAERM CCN(C[C@@H](C)C(=O)[O-])C(=O)N1CCC(C(=O)OC)CC1 ZINC000061222607 184166428 /nfs/dbraw/zinc/16/64/28/184166428.db2.gz VGBHAQIXUHDOCK-SNVBAGLBSA-N -1 0 300.355 1.034 10 0 DDAERM O=C([O-])CSc1n[nH]c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000061591722 184175538 /nfs/dbraw/zinc/17/55/38/184175538.db2.gz VTGZYUPQRUXQDQ-UHFFFAOYSA-N -1 0 317.273 1.339 10 0 DDAERM O=C([O-])CSc1nnnn1Cc1ccccc1C(F)(F)F ZINC000061627342 184179254 /nfs/dbraw/zinc/17/92/54/184179254.db2.gz UQDPNRNWAAXYGE-UHFFFAOYSA-N -1 0 318.280 1.917 10 0 DDAERM CCS(=O)(=O)c1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000061835612 184189167 /nfs/dbraw/zinc/18/91/67/184189167.db2.gz KXIIIEQISXSILH-SNVBAGLBSA-N -1 0 313.375 1.920 10 0 DDAERM COC(=O)C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1cccs1 ZINC000061835810 184189446 /nfs/dbraw/zinc/18/94/46/184189446.db2.gz BSBJXZQJQOVYQH-VHSXEESVSA-N -1 0 313.375 1.969 10 0 DDAERM CC(C)NS(=O)(=O)c1ccc(N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000062133077 184207951 /nfs/dbraw/zinc/20/79/51/184207951.db2.gz DXTOPNCVQFSNRR-NSHDSACASA-N -1 0 312.391 1.284 10 0 DDAERM COCCN(C(=O)Nc1sccc1C(=O)[O-])[C@H](C)COC ZINC000062828694 184255116 /nfs/dbraw/zinc/25/51/16/184255116.db2.gz BKKFZCHHKIDPSB-SECBINFHSA-N -1 0 316.379 1.962 10 0 DDAERM CCN(c1ccc(C(=O)[O-])cc1N)S(=O)(=O)N1CCCC1 ZINC000062835276 184255438 /nfs/dbraw/zinc/25/54/38/184255438.db2.gz ZPSJADCMXRJVLD-UHFFFAOYSA-N -1 0 313.379 1.134 10 0 DDAERM CCC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000062925908 184260718 /nfs/dbraw/zinc/26/07/18/184260718.db2.gz XGLFSIJFGDYBPL-JSGCOSHPSA-N -1 0 318.439 1.682 10 0 DDAERM CNC(=O)COc1ccc(/C=C/C(=O)[O-])cc1Br ZINC000062703659 184248192 /nfs/dbraw/zinc/24/81/92/184248192.db2.gz UCSWSPAPJNNAPL-HWKANZROSA-N -1 0 314.135 1.672 10 0 DDAERM O=C([O-])c1ccc(NC(=O)NCCc2nccs2)cc1O ZINC000063136345 184273222 /nfs/dbraw/zinc/27/32/22/184273222.db2.gz PYPYXUQJPPGYKN-UHFFFAOYSA-N -1 0 307.331 1.911 10 0 DDAERM Cc1csc(CCNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000063136291 184273305 /nfs/dbraw/zinc/27/33/05/184273305.db2.gz VZTSJYZOOPMQTD-AWEZNQCLSA-N -1 0 311.407 1.890 10 0 DDAERM O=C([O-])c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000263427180 304234565 /nfs/dbraw/zinc/23/45/65/304234565.db2.gz MIIKKYCAOUHHOU-RRFJBIMHSA-N -1 0 319.357 1.387 10 0 DDAERM CN1[C@H](C(=O)[O-])CS[C@@H]1[C@@H]1CSC(c2ccccc2O)=N1 ZINC000014683948 257133665 /nfs/dbraw/zinc/13/36/65/257133665.db2.gz NYBZAGXTZXPYND-OUJBWJOFSA-N -1 0 324.427 1.712 10 0 DDAERM O=CN[C@@H](CCSCC(=O)N1CCCCCCC1)C(=O)[O-] ZINC000069592206 184820238 /nfs/dbraw/zinc/82/02/38/184820238.db2.gz KEWAFVYLHWFJQM-LBPRGKRZSA-N -1 0 316.423 1.102 10 0 DDAERM COC(=O)CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000069594478 184820880 /nfs/dbraw/zinc/82/08/80/184820880.db2.gz WLMAQBHXCRQJFQ-VIFPVBQESA-N -1 0 321.395 1.651 10 0 DDAERM COc1cc(C=C2SC(=O)NC2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000003000154 406708214 /nfs/dbraw/zinc/70/82/14/406708214.db2.gz MCFXTTYFLPQGOE-KEXZDQNZSA-N -1 0 323.326 1.871 10 0 DDAERM Cc1ccccc1OCCCCS(=O)(=O)c1nnc(N)[n-]1 ZINC000008015901 406774982 /nfs/dbraw/zinc/77/49/82/406774982.db2.gz OKFUYTFKMWDMGJ-UHFFFAOYSA-N -1 0 310.379 1.328 10 0 DDAERM COCCCS(=O)(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000071234423 406834266 /nfs/dbraw/zinc/83/42/66/406834266.db2.gz RUULWWWTGZFUSP-UHFFFAOYSA-N -1 0 307.755 1.816 10 0 DDAERM CCOC(=O)CCS(=O)(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000049064083 407114500 /nfs/dbraw/zinc/11/45/00/407114500.db2.gz JXYVGHWTGZUZIZ-UHFFFAOYSA-N -1 0 319.310 1.219 10 0 DDAERM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](Cn2cncn2)C1 ZINC000123879828 407341655 /nfs/dbraw/zinc/34/16/55/407341655.db2.gz JAFMISOIOZPSDJ-LLVKDONJSA-N -1 0 304.325 1.675 10 0 DDAERM CN(C(=O)C(=S)N1CCOCC1)c1ccccc1C(=O)[O-] ZINC000256030219 407478477 /nfs/dbraw/zinc/47/84/77/407478477.db2.gz KWVCXLZPSPGQJS-UHFFFAOYSA-N -1 0 308.359 1.007 10 0 DDAERM O=C([O-])[C@@H]1CN(C(=O)NCCc2ccco2)C[C@H]1C(F)(F)F ZINC000262903057 407966413 /nfs/dbraw/zinc/96/64/13/407966413.db2.gz CZJDOEXIKFNCER-NXEZZACHSA-N -1 0 320.267 1.727 10 0 DDAERM CCCNC(=O)CCCC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000263028682 408006734 /nfs/dbraw/zinc/00/67/34/408006734.db2.gz UFOWFOYMSUNKDU-UHFFFAOYSA-N -1 0 310.350 1.599 10 0 DDAERM CO[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000263075818 408018639 /nfs/dbraw/zinc/01/86/39/408018639.db2.gz YTJOTEITVCVVDP-GJZGRUSLSA-N -1 0 321.373 1.618 10 0 DDAERM CC(=O)c1cccc(NC(=O)CN([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000263319713 408106683 /nfs/dbraw/zinc/10/66/83/408106683.db2.gz IMZTXAXKWCDFJA-JTQLQIEISA-N -1 0 304.346 1.765 10 0 DDAERM CCO[C@H]1C[C@@H](NC(=O)N(C)CCC(=O)[O-])C12CCOCC2 ZINC000263344894 408113559 /nfs/dbraw/zinc/11/35/59/408113559.db2.gz GHTYGBYHLQHFKB-NEPJUHHUSA-N -1 0 314.382 1.077 10 0 DDAERM CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@H](C)C(=O)[O-])ncn1 ZINC000263400098 408130309 /nfs/dbraw/zinc/13/03/09/408130309.db2.gz ITPFRKUMNKBVEJ-GYSYKLTISA-N -1 0 308.382 1.977 10 0 DDAERM CCc1c(C)sc(NC(=O)c2ccc(=O)n(C)n2)c1C(=O)[O-] ZINC000263505033 408158920 /nfs/dbraw/zinc/15/89/20/408158920.db2.gz ZTYWKXMKQCSISN-UHFFFAOYSA-N -1 0 321.358 1.663 10 0 DDAERM Cc1nnc2n1C[C@H](C(=O)[O-])N(Cc1cc(C)c(O)c(C)c1)C2 ZINC000263532527 408163653 /nfs/dbraw/zinc/16/36/53/408163653.db2.gz XJBMLMHULGCFBM-CYBMUJFWSA-N -1 0 316.361 1.378 10 0 DDAERM Cc1nnc2n1C[C@@H](C(=O)[O-])N(Cc1ccc(Cl)c(F)c1)C2 ZINC000263559468 408175805 /nfs/dbraw/zinc/17/58/05/408175805.db2.gz AYZPSEQGXZTUMP-LBPRGKRZSA-N -1 0 324.743 1.848 10 0 DDAERM COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])OC(C)C ZINC000263582496 408183770 /nfs/dbraw/zinc/18/37/70/408183770.db2.gz YSYYNQPBYUMVSS-YDHLFZDLSA-N -1 0 321.373 1.998 10 0 DDAERM CCC[C@@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)C(=O)[O-] ZINC000185009722 408736679 /nfs/dbraw/zinc/73/66/79/408736679.db2.gz UODCRYRIXFYLET-LLVKDONJSA-N -1 0 304.302 1.618 10 0 DDAERM COc1ccc(CC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cc1F ZINC000261603639 163670108 /nfs/dbraw/zinc/67/01/08/163670108.db2.gz CKKCPAUBHXMCMM-PWSUYJOCSA-N -1 0 311.309 1.077 10 0 DDAERM CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCCCO1)C(=O)[O-] ZINC000261983201 163742118 /nfs/dbraw/zinc/74/21/18/163742118.db2.gz IWSVWVHKLCEZGH-XQQFMLRXSA-N -1 0 300.399 1.990 10 0 DDAERM CC[S@@](=O)c1ccccc1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000262844985 163885149 /nfs/dbraw/zinc/88/51/49/163885149.db2.gz HFKGVXYDQPNNFX-NNJUXLKUSA-N -1 0 309.387 1.607 10 0 DDAERM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n(C)n1 ZINC000262932853 163894511 /nfs/dbraw/zinc/89/45/11/163894511.db2.gz PBOJQROHBGVKCO-ZIAGYGMSSA-N -1 0 313.357 1.669 10 0 DDAERM Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)cc1F ZINC000263036782 163907016 /nfs/dbraw/zinc/90/70/16/163907016.db2.gz VJLAOPAKZCXPCR-ZDUSSCGKSA-N -1 0 309.337 1.991 10 0 DDAERM C[C@H](CN(C)C(=O)NCc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000263075655 163911131 /nfs/dbraw/zinc/91/11/31/163911131.db2.gz UGBZNQFHNFQRTR-GFCCVEGCSA-N -1 0 316.361 1.734 10 0 DDAERM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cnc2ccccn2c1=O ZINC000263160886 163923371 /nfs/dbraw/zinc/92/33/71/163923371.db2.gz ZTHAUTAWSAGPHW-MRXNPFEDSA-N -1 0 317.345 1.314 10 0 DDAERM C[C@@H](CN(C)C(=O)NCCOc1ncccc1Cl)C(=O)[O-] ZINC000263266135 163940431 /nfs/dbraw/zinc/94/04/31/163940431.db2.gz RAMJBKBKPVTNES-VIFPVBQESA-N -1 0 315.757 1.476 10 0 DDAERM C[C@@H](CN(C)C(=O)NCCc1nn(C)c2ccccc12)C(=O)[O-] ZINC000263337644 163952493 /nfs/dbraw/zinc/95/24/93/163952493.db2.gz DSAMYKLVTZAVJA-NSHDSACASA-N -1 0 318.377 1.478 10 0 DDAERM COC[C@@H](O)CCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000130879553 196119198 /nfs/dbraw/zinc/11/91/98/196119198.db2.gz ZNXFSXXUVXJRKY-ZETCQYMHSA-N -1 0 308.161 1.826 10 0 DDAERM CN1CC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)CC1=O ZINC000133074687 196309494 /nfs/dbraw/zinc/30/94/94/196309494.db2.gz LLRKPWZSTFPCRG-WCQYABFASA-N -1 0 322.336 1.326 10 0 DDAERM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCCO1 ZINC000038058701 418415979 /nfs/dbraw/zinc/41/59/79/418415979.db2.gz RUTYMDWGILQMAX-SFYZADRCSA-N -1 0 305.377 1.292 10 0 DDAERM CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc(=O)[nH]1 ZINC000190471952 222080514 /nfs/dbraw/zinc/08/05/14/222080514.db2.gz CLVZTBPZRMALIC-AWEZNQCLSA-N -1 0 314.341 1.883 10 0 DDAERM CCCc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)no1 ZINC000563660641 421534114 /nfs/dbraw/zinc/53/41/14/421534114.db2.gz JZQFCCVKDIBYTR-LLVKDONJSA-N -1 0 305.338 1.818 10 0 DDAERM C[C@H](OCc1ccccc1)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000630337422 422030082 /nfs/dbraw/zinc/03/00/82/422030082.db2.gz SSYFIORGOKOSHH-GUYCJALGSA-N -1 0 321.373 1.589 10 0 DDAERM O=C([O-])[C@H]1CC[C@@H](C(=O)NCC2CC2)N1Cc1ccccc1 ZINC000630655781 422245044 /nfs/dbraw/zinc/24/50/44/422245044.db2.gz OTZHLSNFVGCTAB-LSDHHAIUSA-N -1 0 302.374 1.630 10 0 DDAERM O=C([O-])[C@H]1CC[C@@H](C(=O)NCC(F)F)N1Cc1ccccc1 ZINC000630668216 422255107 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ZINC000115124553 185662033 /nfs/dbraw/zinc/66/20/33/185662033.db2.gz GDAWJAFJRVVRMI-QMMMGPOBSA-N -1 0 314.135 1.895 10 0 DDAERM Cc1nc(S(=O)(=O)[N-]c2ccc3c(c2)NCCC3)cn1C ZINC000069053174 190794750 /nfs/dbraw/zinc/79/47/50/190794750.db2.gz URZXACVXMYAQEE-UHFFFAOYSA-N -1 0 306.391 1.887 10 0 DDAERM O=C([O-])[C@H]1C[C@]12C(=O)Nc1cc(F)c(Br)cc12 ZINC000725247012 539569240 /nfs/dbraw/zinc/56/92/40/539569240.db2.gz DXBMHGCOYPNNEW-BLTYZCFWSA-N -1 0 300.083 1.883 10 0 DDAERM O=C([O-])CCCCNC(=O)CNC(=O)c1ccc(Cl)cc1 ZINC000070199751 190871407 /nfs/dbraw/zinc/87/14/07/190871407.db2.gz BMYRKDGPKXSKMG-UHFFFAOYSA-N -1 0 312.753 1.441 10 0 DDAERM CCCc1cc(O[C@@H](C)C(=O)NC(N)=O)c(C(=O)[O-])s1 ZINC000070429450 190889539 /nfs/dbraw/zinc/88/95/39/190889539.db2.gz LYBQHOIOUPHFDU-LURJTMIESA-N -1 0 300.336 1.361 10 0 DDAERM C/C(C(=O)[O-])=C(\C)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000071164636 190937437 /nfs/dbraw/zinc/93/74/37/190937437.db2.gz FGTRVKOLIXIYPU-HJWRWDBZSA-N -1 0 312.347 1.418 10 0 DDAERM C[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccoc2C(=O)[O-])C1=O ZINC000071196551 190941123 /nfs/dbraw/zinc/94/11/23/190941123.db2.gz QVGROWMONMJDGR-SNVBAGLBSA-N -1 0 306.196 1.351 10 0 DDAERM COCCCS(=O)(=O)NCc1cccc(/C=C/C(=O)[O-])c1 ZINC000071237968 190947714 /nfs/dbraw/zinc/94/77/14/190947714.db2.gz LXJLDRCQPUPRNO-VOTSOKGWSA-N -1 0 313.375 1.240 10 0 DDAERM COC(=O)[C@@H](C)CN(C)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000083883505 192389103 /nfs/dbraw/zinc/38/91/03/192389103.db2.gz QDDTYBXJMCLCFC-WDEREUQCSA-N -1 0 300.355 1.177 10 0 DDAERM C[C@@H](CCC(=O)[O-])NC(=O)CCn1cnc2sccc2c1=O ZINC000237504544 186298222 /nfs/dbraw/zinc/29/82/22/186298222.db2.gz JJCRLEMSHZPDOU-VIFPVBQESA-N -1 0 323.374 1.218 10 0 DDAERM Nc1ccc(C(=O)Nc2ccc(N)c(S(=O)(=O)[O-])c2)cc1 ZINC000034120383 352291858 /nfs/dbraw/zinc/29/18/58/352291858.db2.gz IMNITWVXWBKEMO-UHFFFAOYSA-N -1 0 307.331 1.350 10 0 DDAERM Cc1c2c(cc(=O)n1CCO)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000072445894 191168758 /nfs/dbraw/zinc/16/87/58/191168758.db2.gz MVDKOGSXCZQZKF-UHFFFAOYSA-N -1 0 319.748 1.435 10 0 DDAERM Cc1oc(C)c(S(=O)(=O)N2CCS[C@H](C)C2)c1C(=O)[O-] ZINC000137120687 354118311 /nfs/dbraw/zinc/11/83/11/354118311.db2.gz ROABYUZAUSOFKO-SSDOTTSWSA-N -1 0 319.404 1.721 10 0 DDAERM CC(C)[C@H](NC(=O)N(C)CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000230450622 354326613 /nfs/dbraw/zinc/32/66/13/354326613.db2.gz HKHOZTZTTQPYDF-ZDUSSCGKSA-N -1 0 307.350 1.376 10 0 DDAERM O=C([O-])Cn1c2ccsc2c(=O)n(Cc2ccccc2)c1=O ZINC000073660984 191338469 /nfs/dbraw/zinc/33/84/69/191338469.db2.gz GSDSARGGGPCBSN-UHFFFAOYSA-N -1 0 316.338 1.358 10 0 DDAERM Cc1nc(-c2ccc(F)cc2)nc(OCC(=O)[O-])c1CCO ZINC000073695870 191342347 /nfs/dbraw/zinc/34/23/47/191342347.db2.gz XNMGDLGENKFVSN-UHFFFAOYSA-N -1 0 306.293 1.589 10 0 DDAERM C[C@@H](C(=O)[O-])N1N=C(c2nc(-c3ccccc3)no2)CCC1=O ZINC000073738155 191350608 /nfs/dbraw/zinc/35/06/08/191350608.db2.gz ZASVTNCUPMNUGC-VIFPVBQESA-N -1 0 314.301 1.536 10 0 DDAERM NS(=O)(=O)c1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)c(C(=O)[O-])c1 ZINC000080156341 192007195 /nfs/dbraw/zinc/00/71/95/192007195.db2.gz HLSCUMULVMRORR-RWEMILLDSA-N -1 0 310.375 1.633 10 0 DDAERM Nc1nnc(SCC(=O)[O-])n1[C@H]1CCOc2ccccc21 ZINC000080845757 192195849 /nfs/dbraw/zinc/19/58/49/192195849.db2.gz NCPPUHTZDVAGCX-VIFPVBQESA-N -1 0 306.347 1.409 10 0 DDAERM CN[C@H](C)c1csc([N-]S(=O)(=O)Cc2cc(C)on2)n1 ZINC000080868791 192196141 /nfs/dbraw/zinc/19/61/41/192196141.db2.gz ZPYZXRICDZFURI-MRVPVSSYSA-N -1 0 316.408 1.662 10 0 DDAERM CN[C@H](C)c1csc([N-]S(=O)(=O)c2c[nH]nc2C)n1 ZINC000080868577 192197274 /nfs/dbraw/zinc/19/72/74/192197274.db2.gz MKRWMYOKMWPIIM-ZCFIWIBFSA-N -1 0 301.397 1.256 10 0 DDAERM CC[C@@](C)(CO)NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000080886020 192198978 /nfs/dbraw/zinc/19/89/78/192198978.db2.gz UPVXRENPXNFJGG-NSHDSACASA-N -1 0 307.393 1.194 10 0 DDAERM O=C([O-])c1ccc(N2CCn3c(nnc3C(F)(F)F)C2)o1 ZINC000081525442 192282648 /nfs/dbraw/zinc/28/26/48/192282648.db2.gz QJRBQMWJHLAVTP-UHFFFAOYSA-N -1 0 302.212 1.608 10 0 DDAERM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC[C@H](C)O)c1C ZINC000085978885 192542165 /nfs/dbraw/zinc/54/21/65/192542165.db2.gz ZDUWTUZHAMZZAZ-VIFPVBQESA-N -1 0 301.364 1.051 10 0 DDAERM CC[C@@H]1CC[C@H](NS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])[C@@H]1C ZINC000086083590 192547371 /nfs/dbraw/zinc/54/73/71/192547371.db2.gz XVGMRIZPAITKHP-FVCCEPFGSA-N -1 0 318.439 1.585 10 0 DDAERM CC[C@H](C)[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)C(=O)[O-] ZINC000236973704 202102254 /nfs/dbraw/zinc/10/22/54/202102254.db2.gz UQMOBUQCAPFFIJ-GXFFZTMASA-N -1 0 302.334 1.496 10 0 DDAERM CCC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)C(=O)[O-] ZINC000236996936 202114552 /nfs/dbraw/zinc/11/45/52/202114552.db2.gz SKMYHCFPCXKPAX-YIOUJQMASA-N -1 0 324.421 1.783 10 0 DDAERM CCC(CC)(CC)NS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000086642566 192586144 /nfs/dbraw/zinc/58/61/44/192586144.db2.gz UQPDNNFJJJQOFR-LLVKDONJSA-N -1 0 306.428 1.729 10 0 DDAERM CCc1ccc(CCC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000237164351 202171967 /nfs/dbraw/zinc/17/19/67/202171967.db2.gz FDEXKUMBWTYKFM-LSDHHAIUSA-N -1 0 305.374 1.882 10 0 DDAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc(-c3ccco3)on2)C1 ZINC000237243702 202201548 /nfs/dbraw/zinc/20/15/48/202201548.db2.gz FZXNABAZBPNHQS-WPRPVWTQSA-N -1 0 306.274 1.249 10 0 DDAERM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1ccccc1 ZINC000180160124 199125202 /nfs/dbraw/zinc/12/52/02/199125202.db2.gz XXFNUBHTKBYUPE-AWEZNQCLSA-N -1 0 318.373 1.011 10 0 DDAERM CCn1nc(C)c(Br)c1Cn1cc(C(=O)[O-])cn1 ZINC000089279914 192758063 /nfs/dbraw/zinc/75/80/63/192758063.db2.gz YXULQSGFTFMSCT-UHFFFAOYSA-N -1 0 313.155 1.917 10 0 DDAERM O=C([O-])[C@H](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000090876165 192940562 /nfs/dbraw/zinc/94/05/62/192940562.db2.gz AFIWCXXFWOOMGC-FRRDWIJNSA-N -1 0 310.371 1.516 10 0 DDAERM C[C@@H](Cc1cccs1)NC(=O)NC[C@](C)(O)CC(=O)[O-] ZINC000091520139 193067815 /nfs/dbraw/zinc/06/78/15/193067815.db2.gz UOWHQSAGXIUXEE-TVQRCGJNSA-N -1 0 300.380 1.204 10 0 DDAERM O=C([O-])c1cc(Br)cnc1NCC1CC(O)C1 ZINC000091526021 193070054 /nfs/dbraw/zinc/07/00/54/193070054.db2.gz ILYROXYLEONYLV-UHFFFAOYSA-N -1 0 301.140 1.725 10 0 DDAERM CC[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)N(C)CC1CC(O)C1 ZINC000091499309 193064736 /nfs/dbraw/zinc/06/47/36/193064736.db2.gz QXOXNXDSAGQHNH-WFBLGPOFSA-N -1 0 302.396 1.047 10 0 DDAERM CCN1CCO[C@H](CSc2nc(C)c(C(=O)[O-])s2)C1 ZINC000092050918 193147844 /nfs/dbraw/zinc/14/78/44/193147844.db2.gz NWTSRLVUNDSCJI-VIFPVBQESA-N -1 0 302.421 1.963 10 0 DDAERM O=C([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2CO)c(F)c1 ZINC000092114285 193162524 /nfs/dbraw/zinc/16/25/24/193162524.db2.gz DAFSOMJEASORQJ-JTQLQIEISA-N -1 0 317.338 1.059 10 0 DDAERM O=C([O-])[C@@H]1C=C[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC000092177654 193170402 /nfs/dbraw/zinc/17/04/02/193170402.db2.gz QGNOWDTZFUUEEE-RQJHMYQMSA-N -1 0 300.108 1.801 10 0 DDAERM Cc1noc(C)c1CC(=O)N(C)c1snc(C)c1C(=O)[O-] ZINC000093013533 193193271 /nfs/dbraw/zinc/19/32/71/193193271.db2.gz SGGUFQYJRLITLT-UHFFFAOYSA-N -1 0 309.347 1.960 10 0 DDAERM C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000093018254 193195267 /nfs/dbraw/zinc/19/52/67/193195267.db2.gz NWWYARMMHWMCAE-VHSXEESVSA-N -1 0 314.359 1.731 10 0 DDAERM Cn1ncnc1C[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000093162632 193209005 /nfs/dbraw/zinc/20/90/05/193209005.db2.gz VFRMCLKMAPSGLG-SNVBAGLBSA-N -1 0 310.151 1.989 10 0 DDAERM Cn1ncc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)c1C1CC1 ZINC000262244718 203240153 /nfs/dbraw/zinc/24/01/53/203240153.db2.gz WLQHNSOQJDOMEF-OLZOCXBDSA-N -1 0 303.362 1.480 10 0 DDAERM C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000262567388 203333657 /nfs/dbraw/zinc/33/36/57/203333657.db2.gz WYEKAQUETKWFIB-OUAUKWLOSA-N -1 0 308.334 1.110 10 0 DDAERM CC(C)[C@@H](NC(=O)NCCOCC(=O)[O-])c1cccs1 ZINC000093229741 193220313 /nfs/dbraw/zinc/22/03/13/193220313.db2.gz APGGTKTYGMUQSX-GFCCVEGCSA-N -1 0 300.380 1.846 10 0 DDAERM CC[C@H](C)CN(CC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000093251495 193220855 /nfs/dbraw/zinc/22/08/55/193220855.db2.gz GBPJYYHCRJXDMD-NSHDSACASA-N -1 0 306.428 1.396 10 0 DDAERM CCOc1ccc(N)c(SCC(=O)NCCCC(=O)[O-])c1 ZINC000093424341 193250080 /nfs/dbraw/zinc/25/00/80/193250080.db2.gz ODMNRPSTIGNWRR-UHFFFAOYSA-N -1 0 312.391 1.741 10 0 DDAERM CS(=O)(=O)N1CCC[C@H](COc2csc(C(=O)[O-])c2)C1 ZINC000093695865 193290979 /nfs/dbraw/zinc/29/09/79/193290979.db2.gz DLPJWAOWWJKEIW-VIFPVBQESA-N -1 0 319.404 1.497 10 0 DDAERM C[C@H](CC(=O)[O-])NC(=O)c1ccc(Br)cc1N ZINC000094044965 193340589 /nfs/dbraw/zinc/34/05/89/193340589.db2.gz IAAYSBOCXQEJAJ-ZCFIWIBFSA-N -1 0 301.140 1.624 10 0 DDAERM C[C@@H](NC(=O)c1cccc(OCC(F)(F)F)n1)[C@H](C)C(=O)[O-] ZINC000263408255 203464586 /nfs/dbraw/zinc/46/45/86/203464586.db2.gz GMCSQQOKOYISIU-JGVFFNPUSA-N -1 0 320.267 1.862 10 0 DDAERM CCOC(=O)[C@@H]1CCCCN1C(=O)N[C@@](C)(CC)C(=O)[O-] ZINC000094225006 193351551 /nfs/dbraw/zinc/35/15/51/193351551.db2.gz LNNSYMMPTZQCJE-HZMBPMFUSA-N -1 0 300.355 1.367 10 0 DDAERM C[C@](NCC(=O)Nc1cccc(F)c1)(C(=O)[O-])C(F)(F)F ZINC000094229869 193352139 /nfs/dbraw/zinc/35/21/39/193352139.db2.gz KTLURFFDNYXICO-NSHDSACASA-N -1 0 308.231 1.759 10 0 DDAERM CC(=O)Nc1nc(CN[C@](C)(C(=O)[O-])C(F)(F)F)cs1 ZINC000094229648 193352468 /nfs/dbraw/zinc/35/24/68/193352468.db2.gz ALDGKLXUHJJGFQ-SECBINFHSA-N -1 0 311.285 1.597 10 0 DDAERM C[C@](N)(C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)C(F)(F)F ZINC000094237727 193353361 /nfs/dbraw/zinc/35/33/61/193353361.db2.gz GOWFWWAJCAJWFX-RYUDHWBXSA-N -1 0 304.268 1.382 10 0 DDAERM C[C@](N)(C(=O)N(CCC(=O)[O-])c1ccccc1)C(F)(F)F ZINC000094236246 193353591 /nfs/dbraw/zinc/35/35/91/193353591.db2.gz ODBVWWCSWOKDLZ-LBPRGKRZSA-N -1 0 304.268 1.774 10 0 DDAERM CC(C)C[C@H](CNS(=O)(=O)CCc1ccccn1)C(=O)[O-] ZINC000094703093 193392569 /nfs/dbraw/zinc/39/25/69/193392569.db2.gz BWTNJBJZZASYFR-GFCCVEGCSA-N -1 0 314.407 1.290 10 0 DDAERM Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)c1 ZINC000094558688 193380224 /nfs/dbraw/zinc/38/02/24/193380224.db2.gz 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CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263160869 280080038 /nfs/dbraw/zinc/08/00/38/280080038.db2.gz BZKISYSELVSVJS-UPJWGTAASA-N -1 0 300.399 1.800 10 0 DDAERM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000263353286 301152774 /nfs/dbraw/zinc/15/27/74/301152774.db2.gz WGDJQAQOTVZQDD-QWRGUYRKSA-N -1 0 304.346 1.419 10 0 DDAERM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000263353284 301152883 /nfs/dbraw/zinc/15/28/83/301152883.db2.gz WGDJQAQOTVZQDD-GHMZBOCLSA-N -1 0 304.346 1.419 10 0 DDAERM CCOc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)on1 ZINC000578055213 308433546 /nfs/dbraw/zinc/43/35/46/308433546.db2.gz NMVLYERMMSBNBW-MRVPVSSYSA-N -1 0 307.310 1.264 10 0 DDAERM Cc1ccccc1CN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732050 337367536 /nfs/dbraw/zinc/36/75/36/337367536.db2.gz KBXLPHSRUHZTSU-UHFFFAOYSA-N -1 0 309.347 1.237 10 0 DDAERM O=C([N-]S(=O)(=O)c1cccs1)c1n[nH]c2c1CCCC2 ZINC000119682365 696683888 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CC(C)(C)SCC(=O)NC[C@@H](C(=O)[O-])C1CCOCC1 ZINC000262934821 698484841 /nfs/dbraw/zinc/48/48/41/698484841.db2.gz LPXBNFOHKSABNK-LLVKDONJSA-N -1 0 303.424 1.762 10 0 DDAERM COC[C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263109220 698491907 /nfs/dbraw/zinc/49/19/07/698491907.db2.gz FXSWXQDWMVGKLX-BZNIZROVSA-N -1 0 309.362 1.784 10 0 DDAERM CCC[C@@H](Nc1ccc(C(=O)Nc2nncs2)cn1)C(=O)[O-] ZINC000263568412 698514023 /nfs/dbraw/zinc/51/40/23/698514023.db2.gz YMFISIZYPOXSHW-SECBINFHSA-N -1 0 321.362 1.851 10 0 DDAERM CNc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2nnn[n-]2)c1 ZINC000900389068 709568301 /nfs/dbraw/zinc/56/83/01/709568301.db2.gz BTRXNCNVCINCJU-LLVKDONJSA-N -1 0 306.757 1.872 10 0 DDAERM COc1ccc2c(c1)[C@H](C(=O)N1CCC[C@H]1c1nnn[n-]1)CC2 ZINC000900391263 709570963 /nfs/dbraw/zinc/57/09/63/709570963.db2.gz BYPIBOKLUCZDIC-OCCSQVGLSA-N -1 0 313.361 1.602 10 0 DDAERM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC(C)(C(=O)[O-])C2)C1 ZINC000910056794 709757832 /nfs/dbraw/zinc/75/78/32/709757832.db2.gz 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185388929 /nfs/dbraw/zinc/38/89/29/185388929.db2.gz ALGKOUHAGSRIGM-MFKMUULPSA-N -1 0 300.380 1.286 10 0 DDAERM CCc1nnsc1C(=O)N1[C@@H](C(=O)[O-])CS[C@H]1C(C)C ZINC000087445177 185225123 /nfs/dbraw/zinc/22/51/23/185225123.db2.gz STRSEEFCPWKSIP-KCJUWKMLSA-N -1 0 315.420 1.725 10 0 DDAERM C[C@H](CCC[C@H](C)NC(=O)CCN1CCSC1=O)C(=O)[O-] ZINC000087663477 185230046 /nfs/dbraw/zinc/23/00/46/185230046.db2.gz RELPLMUNKFTZSB-MNOVXSKESA-N -1 0 316.423 1.941 10 0 DDAERM CC[C@@H](C)N(CCOC)C(=O)NC(=O)CC(C)(C)C(=O)[O-] ZINC000087727860 185231105 /nfs/dbraw/zinc/23/11/05/185231105.db2.gz RDDCKHQQXMFVLI-SNVBAGLBSA-N -1 0 302.371 1.470 10 0 DDAERM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1cccnc1N ZINC000088071013 185238948 /nfs/dbraw/zinc/23/89/48/185238948.db2.gz AHSRILZFVHKHDF-UHFFFAOYSA-N -1 0 309.395 1.859 10 0 DDAERM COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)CCC(=O)[O-] ZINC000088194441 185241447 /nfs/dbraw/zinc/24/14/47/185241447.db2.gz BQCPCTGPYFCJGX-LLVKDONJSA-N -1 0 315.391 1.363 10 0 DDAERM O=C([O-])CC1(CSCn2nnc3ccccc3c2=O)CC1 ZINC000088111662 185239685 /nfs/dbraw/zinc/23/96/85/185239685.db2.gz RRNVVPYBXNBDER-UHFFFAOYSA-N -1 0 305.359 1.737 10 0 DDAERM O=C([O-])CC1(C[S@](=O)CC(=O)Nc2cccc(F)c2)CC1 ZINC000088114111 185239846 /nfs/dbraw/zinc/23/98/46/185239846.db2.gz ZEOPMAVFOLQUTI-NRFANRHFSA-N -1 0 313.350 1.768 10 0 DDAERM COCCOCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000088274795 185244466 /nfs/dbraw/zinc/24/44/66/185244466.db2.gz ZGLRYKUVPXFFGX-LBPRGKRZSA-N -1 0 304.387 1.086 10 0 DDAERM CCC(CC)N(CCOC)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088394604 185248237 /nfs/dbraw/zinc/24/82/37/185248237.db2.gz YLKYVLXFQAAJEL-LBPRGKRZSA-N -1 0 302.371 1.029 10 0 DDAERM O=C([O-])c1nc[nH]c1C(=O)Nc1ccc(Br)cn1 ZINC000088657775 185261825 /nfs/dbraw/zinc/26/18/25/185261825.db2.gz NTQSOCVOKXLTNT-UHFFFAOYSA-N -1 0 311.095 1.518 10 0 DDAERM COc1c(Cl)cc(C(=O)NC[C@H](O)C(=O)[O-])cc1Cl ZINC000090261903 185288314 /nfs/dbraw/zinc/28/83/14/185288314.db2.gz SFPPTULRWYXUCF-QMMMGPOBSA-N -1 0 308.117 1.177 10 0 DDAERM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@H](O)C(=O)[O-] ZINC000090264920 185288429 /nfs/dbraw/zinc/28/84/29/185288429.db2.gz LQKNYYTXNVAHKM-KWQFWETISA-N -1 0 300.742 1.488 10 0 DDAERM O=C([O-])[C@@H]1COC[C@@H]1NC(=O)c1cc(-c2cccs2)on1 ZINC000090361551 185292532 /nfs/dbraw/zinc/29/25/32/185292532.db2.gz HPSRVEPNUQJENR-APPZFPTMSA-N -1 0 308.315 1.233 10 0 DDAERM Cc1cc(OCC(=O)N[C@H]2COC[C@H]2C(=O)[O-])ccc1Cl ZINC000090361093 185292641 /nfs/dbraw/zinc/29/26/41/185292641.db2.gz QCCQARUGFVFZBH-PWSUYJOCSA-N -1 0 313.737 1.243 10 0 DDAERM CCN(C(=O)N(C)CCC(F)(F)F)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090480927 185298721 /nfs/dbraw/zinc/29/87/21/185298721.db2.gz GTRNUHJNOOCVJY-DTWKUNHWSA-N -1 0 312.288 1.412 10 0 DDAERM CCCN(C(=O)c1ccc(Cl)o1)[C@H]1COC[C@H]1C(=O)[O-] ZINC000090522081 185300428 /nfs/dbraw/zinc/30/04/28/185300428.db2.gz BNRHJCGIPWMTGA-BDAKNGLRSA-N -1 0 301.726 1.885 10 0 DDAERM CCCN(C(=O)N(C)CCC(C)C)[C@H]1COC[C@H]1C(=O)[O-] ZINC000090532730 185301144 /nfs/dbraw/zinc/30/11/44/185301144.db2.gz MTUREVPHMIHUNQ-OLZOCXBDSA-N -1 0 300.399 1.896 10 0 DDAERM CN(Cc1nc(-c2ccsc2)no1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090423012 185295412 /nfs/dbraw/zinc/29/54/12/185295412.db2.gz BSWPZEQSVPUMHE-VHSXEESVSA-N -1 0 309.347 1.330 10 0 DDAERM CC[C@H](NC(=O)N(C)[C@H]1COC[C@@H]1C(=O)[O-])c1cccs1 ZINC000090429340 185295806 /nfs/dbraw/zinc/29/58/06/185295806.db2.gz DHEMWNGFGIKSEX-DCAQKATOSA-N -1 0 312.391 1.940 10 0 DDAERM CC(C)CCC[C@H](C)NC(=O)N(C)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090429203 185295961 /nfs/dbraw/zinc/29/59/61/185295961.db2.gz BGYPPEUNFJIHNR-RWMBFGLXSA-N -1 0 300.399 1.942 10 0 DDAERM CCN(C(=O)c1ccc(CSC)o1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090440678 185296524 /nfs/dbraw/zinc/29/65/24/185296524.db2.gz IYBFERVJGPRRTH-WDEREUQCSA-N -1 0 313.375 1.704 10 0 DDAERM Cc1ccccc1SCC(=O)N[C@@H]1COC[C@@]1(C)C(=O)[O-] ZINC000090569627 185304152 /nfs/dbraw/zinc/30/41/52/185304152.db2.gz MRFQENYNVKLMPA-IUODEOHRSA-N -1 0 309.387 1.693 10 0 DDAERM CSc1ccc(C)c(C(=O)N[C@@H]2COC[C@]2(C)C(=O)[O-])c1 ZINC000090569077 185304203 /nfs/dbraw/zinc/30/42/03/185304203.db2.gz FBRYVMFITVJUBM-DOMZBBRYSA-N -1 0 309.387 1.936 10 0 DDAERM COc1cc(Cl)ccc1C(=O)N[C@H]1COC[C@]1(C)C(=O)[O-] ZINC000090569815 185304349 /nfs/dbraw/zinc/30/43/49/185304349.db2.gz QWZWHHGCDAYPEP-FZMZJTMJSA-N -1 0 313.737 1.568 10 0 DDAERM CC(C)(C)C(=O)NCCC(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092435668 185318095 /nfs/dbraw/zinc/31/80/95/185318095.db2.gz MZXYCGGTJJGCIA-UHFFFAOYSA-N -1 0 312.288 1.014 10 0 DDAERM CC(C)CC[C@H](C)NC(=O)CN(CC(=O)[O-])CC(F)(F)F ZINC000092443831 185318764 /nfs/dbraw/zinc/31/87/64/185318764.db2.gz IMIJPJBLSDIGKY-JTQLQIEISA-N -1 0 312.332 1.876 10 0 DDAERM CC(C)(C)N(CC(=O)[O-])C(=O)c1sccc1-n1cnnn1 ZINC000092447161 185318889 /nfs/dbraw/zinc/31/88/89/185318889.db2.gz GOZRLSMITOPEQJ-UHFFFAOYSA-N -1 0 309.351 1.049 10 0 DDAERM CC(C)N(CCCO)C(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000092445669 185319020 /nfs/dbraw/zinc/31/90/20/185319020.db2.gz 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O=C([O-])[C@H]1COC[C@@H]1NC(=O)CSc1ccc(Cl)cc1 ZINC000090362686 185292597 /nfs/dbraw/zinc/29/25/97/185292597.db2.gz UQACSOQZYUMZKP-QWRGUYRKSA-N -1 0 315.778 1.648 10 0 DDAERM CN(C(=O)Nc1ccc(F)cc1F)[C@H]1COC[C@H]1C(=O)[O-] ZINC000090387855 185294137 /nfs/dbraw/zinc/29/41/37/185294137.db2.gz JJCZAROFBQZNCW-KCJUWKMLSA-N -1 0 300.261 1.528 10 0 DDAERM C[C@@]1(C(=O)[O-])COC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000090570814 185304386 /nfs/dbraw/zinc/30/43/86/185304386.db2.gz SXBQUEQBVVJPCO-CMPLNLGQSA-N -1 0 319.766 1.108 10 0 DDAERM Cc1ncsc1CN(C)C(=O)N[C@@H]1COC[C@@]1(C)C(=O)[O-] ZINC000090578958 185304561 /nfs/dbraw/zinc/30/45/61/185304561.db2.gz FWPAIYXURYAMGL-ZWNOBZJWSA-N -1 0 313.379 1.083 10 0 DDAERM O=C([O-])c1ccc(Oc2cc3n[nH]c(=O)n3cn2)c(Cl)c1 ZINC000090645343 185308059 /nfs/dbraw/zinc/30/80/59/185308059.db2.gz OWMBKBWZPRRNCP-UHFFFAOYSA-N -1 0 306.665 1.562 10 0 DDAERM Cc1noc(C)c1CNc1nnc(SCC(=O)[O-])s1 ZINC000092340729 185313289 /nfs/dbraw/zinc/31/32/89/185313289.db2.gz 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CCOC(=O)[C@@H]1[C@@H]2CC[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)[C@H]12 ZINC000725262106 539570015 /nfs/dbraw/zinc/57/00/15/539570015.db2.gz WRODSTCCXVSDFJ-ZDCRXTMVSA-N -1 0 313.350 1.648 10 0 DDAERM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1N ZINC000070198721 190871132 /nfs/dbraw/zinc/87/11/32/190871132.db2.gz SRZHVCSCJRTBCV-UHFFFAOYSA-N -1 0 309.322 1.308 10 0 DDAERM CN1C(=O)CO[C@@H](C(=O)[O-])[C@H]1c1ccc(Br)cc1 ZINC000070274236 190877041 /nfs/dbraw/zinc/87/70/41/190877041.db2.gz KNOYFXIYYRQGCP-GHMZBOCLSA-N -1 0 314.135 1.432 10 0 DDAERM Cc1c(C(=O)[O-])sc2ncn(Cc3ncccn3)c(=O)c12 ZINC000070442728 190892886 /nfs/dbraw/zinc/89/28/86/190892886.db2.gz IPMXSHNLXZQIPE-UHFFFAOYSA-N -1 0 302.315 1.303 10 0 DDAERM CCCc1cc(O[C@H]2CCS(=O)(=O)C2)c(C(=O)[O-])s1 ZINC000070429553 190889758 /nfs/dbraw/zinc/88/97/58/190889758.db2.gz BFUXEANCKCFCNP-QMMMGPOBSA-N -1 0 304.389 1.965 10 0 DDAERM Cc1[nH]nc(S(=O)(=O)N(CC(C)C)C(C)C)c1C(=O)[O-] ZINC000070446525 190893936 /nfs/dbraw/zinc/89/39/36/190893936.db2.gz FPNZNIBVDRKWPW-UHFFFAOYSA-N -1 0 303.384 1.471 10 0 DDAERM COc1ccc(Br)c(C(=O)N2CC(C(=O)[O-])C2)c1 ZINC000071172355 190937228 /nfs/dbraw/zinc/93/72/28/190937228.db2.gz BKYXIEKQZCGGIY-UHFFFAOYSA-N -1 0 314.135 1.614 10 0 DDAERM COC(=O)CCS(=O)(=O)C(C)=C([O-])c1ccc(Cl)cc1 ZINC000083975403 192393509 /nfs/dbraw/zinc/39/35/09/192393509.db2.gz ICEUCKUFEOZILA-VIFPVBQESA-N -1 0 318.778 1.889 10 0 DDAERM CCNS(=O)(=O)c1ccc(N[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000084096444 192402536 /nfs/dbraw/zinc/40/25/36/192402536.db2.gz JSXXJYVHFYKGGT-CQSZACIVSA-N -1 0 312.391 1.650 10 0 DDAERM C[C@@H](NS(=O)(=O)c1ccc(-c2cccnc2)cc1)C(=O)[O-] ZINC000071709524 191010891 /nfs/dbraw/zinc/01/08/91/191010891.db2.gz QPBOVTSOLPNYLL-SNVBAGLBSA-N -1 0 306.343 1.500 10 0 DDAERM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1F)CC(=O)[O-] ZINC000147245533 186038963 /nfs/dbraw/zinc/03/89/63/186038963.db2.gz YEPWOKQREMPHMW-ZETCQYMHSA-N -1 0 309.746 1.868 10 0 DDAERM O=C([N-]Nc1ncc(Br)nc1Cl)C(F)(F)F ZINC000118815277 354000571 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Cc1nc(CSCC(=O)Nc2cc(C(=O)[O-])n[nH]2)cs1 ZINC000080671271 192180946 /nfs/dbraw/zinc/18/09/46/192180946.db2.gz UTZHDEODTSPWRJ-UHFFFAOYSA-N -1 0 312.376 1.745 10 0 DDAERM CCN[C@H](C)c1csc([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000080869040 192196796 /nfs/dbraw/zinc/19/67/96/192196796.db2.gz UBVKCJYAKZBMSY-SNVBAGLBSA-N -1 0 318.468 1.956 10 0 DDAERM CC(C)NS(=O)(=O)c1ccc(N2CC(CC(=O)[O-])C2)cc1 ZINC000081742500 192318535 /nfs/dbraw/zinc/31/85/35/192318535.db2.gz YJRQTXLUIDLKKA-UHFFFAOYSA-N -1 0 312.391 1.284 10 0 DDAERM O=C([O-])CC1CN(C(=O)Cc2cccc(Br)c2)C1 ZINC000081736647 192319442 /nfs/dbraw/zinc/31/94/42/192319442.db2.gz DDQKICFIOOKKGE-UHFFFAOYSA-N -1 0 312.163 1.925 10 0 DDAERM CC[C@H]1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[C@@H]1C ZINC000086083559 192548528 /nfs/dbraw/zinc/54/85/28/192548528.db2.gz NSNWKBVCTSXZIE-SCVCMEIPSA-N -1 0 314.407 1.826 10 0 DDAERM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2ccncc2F)C1 ZINC000086316208 192561237 /nfs/dbraw/zinc/56/12/37/192561237.db2.gz YZGODEQXRFFZEL-NSHDSACASA-N -1 0 306.215 1.700 10 0 DDAERM CC[C@@](C)(O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000087014350 192611491 /nfs/dbraw/zinc/61/14/91/192611491.db2.gz USVMQVHYUIAINZ-CYBMUJFWSA-N -1 0 301.364 1.133 10 0 DDAERM NS(=O)(=O)c1ccc(NC[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000089382175 192777693 /nfs/dbraw/zinc/77/76/93/192777693.db2.gz PJJUUGGCSYFJND-GXFFZTMASA-N -1 0 312.391 1.637 10 0 DDAERM O=C([O-])c1csc(CCNC(=O)NCc2ccncc2)n1 ZINC000090941077 192957857 /nfs/dbraw/zinc/95/78/57/192957857.db2.gz VAFNVFMTOGQVLF-UHFFFAOYSA-N -1 0 306.347 1.278 10 0 DDAERM O=C([O-])C[C@@H]1CN(C[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000091296800 193034052 /nfs/dbraw/zinc/03/40/52/193034052.db2.gz ATUFKDBZCHZBSG-OLZOCXBDSA-N -1 0 311.765 1.819 10 0 DDAERM COc1ccc(NC(=O)NC[C@@](C)(O)CC(=O)[O-])cc1Cl ZINC000091520046 193068395 /nfs/dbraw/zinc/06/83/95/193068395.db2.gz HLFHEHYGYLKFEW-ZDUSSCGKSA-N -1 0 316.741 1.696 10 0 DDAERM C[C@H](Cc1ccsc1)NC(=O)NC[C@@](C)(O)CC(=O)[O-] ZINC000091522138 193068495 /nfs/dbraw/zinc/06/84/95/193068495.db2.gz XHVBCAUQQKNTIU-RNCFNFMXSA-N -1 0 300.380 1.204 10 0 DDAERM C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@](C)(O)CC(=O)[O-] ZINC000091505653 193066167 /nfs/dbraw/zinc/06/61/67/193066167.db2.gz ZIJDHIQTTOIHPK-XPTSAGLGSA-N -1 0 315.753 1.449 10 0 DDAERM CCn1cc(S(=O)(=O)Nn2c(C)ccc2C)cc1C(=O)[O-] ZINC000091783251 193107451 /nfs/dbraw/zinc/10/74/51/193107451.db2.gz RHNKGQMMDWTGJY-UHFFFAOYSA-N -1 0 311.363 1.557 10 0 DDAERM C[C@@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)[O-] ZINC000098092058 296093736 /nfs/dbraw/zinc/09/37/36/296093736.db2.gz IUXPMHYMBNZBSO-MRVPVSSYSA-N -1 0 311.315 1.014 10 0 DDAERM CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114593 193162257 /nfs/dbraw/zinc/16/22/57/193162257.db2.gz SDXPLNKCAOSNAF-SNVBAGLBSA-N -1 0 317.338 1.323 10 0 DDAERM O=C([O-])CC1(CS(=O)(=O)C[C@H]2COc3ccccc32)CC1 ZINC000092301958 193187055 /nfs/dbraw/zinc/18/70/55/193187055.db2.gz UWGXIOUQKHRSHV-LLVKDONJSA-N -1 0 310.371 1.832 10 0 DDAERM 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1.568 10 0 DDAERM Cc1cc([C@@H](C)NC(=O)NC[C@@](C)(O)C(=O)[O-])c(C)s1 ZINC000090278139 185289050 /nfs/dbraw/zinc/28/90/50/185289050.db2.gz SDKKXQTYQJVQMM-AMIZOPFISA-N -1 0 300.380 1.561 10 0 DDAERM O=C([O-])[C@H]1COC[C@@H]1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000090362784 185292516 /nfs/dbraw/zinc/29/25/16/185292516.db2.gz JZTDUHHQDIUXMB-ONGXEEELSA-N -1 0 318.156 1.752 10 0 DDAERM O=C([O-])[C@@H]1COC[C@@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000090361055 185292593 /nfs/dbraw/zinc/29/25/93/185292593.db2.gz XXMZVAWUZNPJED-SCZZXKLOSA-N -1 0 304.129 1.823 10 0 DDAERM CCN(C(=O)c1ccc(N)c(Cl)c1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090482066 185298628 /nfs/dbraw/zinc/29/86/28/185298628.db2.gz JUIIPYRPVWXXEB-JOYOIKCWSA-N -1 0 312.753 1.484 10 0 DDAERM CCCN(C(=O)CSC(C)(C)C)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090496736 185299289 /nfs/dbraw/zinc/29/92/89/185299289.db2.gz NDGMQKYGJVXTFO-QWRGUYRKSA-N -1 0 303.424 1.856 10 0 DDAERM CN([C@H]1COC[C@@H]1C(=O)[O-])S(=O)(=O)c1ccccc1Cl ZINC000090388093 185294144 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O=C([O-])CN(CC(F)(F)F)C(=O)COc1ccc(F)cc1 ZINC000092435408 185317843 /nfs/dbraw/zinc/31/78/43/185317843.db2.gz VHUAHICCWIHWPD-UHFFFAOYSA-N -1 0 309.215 1.680 10 0 DDAERM O=C([O-])CN(CC(F)(F)F)C(=O)[C@@H]1Cc2ccccc2N1 ZINC000092437116 185318061 /nfs/dbraw/zinc/31/80/61/185318061.db2.gz DVIZYHBGKRLUJT-JTQLQIEISA-N -1 0 302.252 1.499 10 0 DDAERM CC1CCC(NC(=O)CN(CC(=O)[O-])CC(F)(F)F)CC1 ZINC000092443144 185318870 /nfs/dbraw/zinc/31/88/70/185318870.db2.gz RIPXNMJOMBPMEG-UHFFFAOYSA-N -1 0 310.316 1.630 10 0 DDAERM O=C([O-])CN(CC(F)(F)F)C(=O)N1CCCSCC1 ZINC000092444925 185319113 /nfs/dbraw/zinc/31/91/13/185319113.db2.gz LLUPWELIQDHZGH-UHFFFAOYSA-N -1 0 300.302 1.494 10 0 DDAERM CCOC(=O)CN(C(=O)N(CC(=O)[O-])C(C)(C)C)C(C)C ZINC000092451786 185319148 /nfs/dbraw/zinc/31/91/48/185319148.db2.gz PEAIPBOYCNWIJB-UHFFFAOYSA-N -1 0 302.371 1.565 10 0 DDAERM CC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])C(C)(C)C)cc1 ZINC000092448423 185319320 /nfs/dbraw/zinc/31/93/20/185319320.db2.gz XNQBJTNRCWJSGP-UHFFFAOYSA-N -1 0 313.375 1.763 10 0 DDAERM COC[C@H](C)Cn1c(SCC(=O)[O-])nc2c(C)nn(C)c21 ZINC000092539522 185324741 /nfs/dbraw/zinc/32/47/41/185324741.db2.gz JHGHVDHLWHPEEK-MRVPVSSYSA-N -1 0 312.395 1.537 10 0 DDAERM O=C([O-])c1cn(C2CN(Cc3ccc(F)cc3Cl)C2)nn1 ZINC000092698461 185333807 /nfs/dbraw/zinc/33/38/07/185333807.db2.gz NTMMQFMREWZQKW-UHFFFAOYSA-N -1 0 310.716 1.826 10 0 DDAERM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)CCC(C)(C)O ZINC000092801612 185342048 /nfs/dbraw/zinc/34/20/48/185342048.db2.gz HMCBBFUYSBSKSE-UHFFFAOYSA-N -1 0 300.376 1.882 10 0 DDAERM COC(=O)[C@H](CC(C)C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000092947113 185350208 /nfs/dbraw/zinc/35/02/08/185350208.db2.gz SGSPXYKSAVDRSV-DCAQKATOSA-N -1 0 300.355 1.079 10 0 DDAERM Cc1ccc(C(N)=S)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000052096365 190683298 /nfs/dbraw/zinc/68/32/98/190683298.db2.gz NAEKHUSIFDXSRC-UHFFFAOYSA-N -1 0 310.404 1.164 10 0 DDAERM CC(=O)Nc1cccc(C(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)c1 ZINC000111408615 185593232 /nfs/dbraw/zinc/59/32/32/185593232.db2.gz FSGJCYLVLRHVAM-CABZTGNLSA-N -1 0 308.359 1.633 10 0 DDAERM C[C@@H](Oc1ccc(F)cc1)C(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] ZINC000111409764 185593660 /nfs/dbraw/zinc/59/36/60/185593660.db2.gz WQOYPYNZXOGDEK-VDDIYKPWSA-N -1 0 313.350 1.968 10 0 DDAERM CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CCN1CCSC1=O ZINC000111415889 185594798 /nfs/dbraw/zinc/59/47/98/185594798.db2.gz DTECZTLGWDECOM-SCZZXKLOSA-N -1 0 318.420 1.310 10 0 DDAERM C[C@@H]1CN(C(=O)N2[C@H](C(=O)[O-])CS[C@@H]2C2CC2)CCO1 ZINC000111422055 185597040 /nfs/dbraw/zinc/59/70/40/185597040.db2.gz SADCEQPQHBEABM-DVVUODLYSA-N -1 0 300.380 1.065 10 0 DDAERM CCO[C@H]1CCCN(C(=O)N2[C@H](CC)SC[C@@H]2C(=O)[O-])C1 ZINC000111442324 185603246 /nfs/dbraw/zinc/60/32/46/185603246.db2.gz VOESJRWIDCDXHD-TUAOUCFPSA-N -1 0 316.423 1.845 10 0 DDAERM CCC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)N1CCC(OC)CC1 ZINC000111431555 185599781 /nfs/dbraw/zinc/59/97/81/185599781.db2.gz YIJUMHQKCCJLJV-RYUDHWBXSA-N -1 0 316.423 1.845 10 0 DDAERM O=C([O-])[C@@H]1CS[C@@H](C2CC2)N1C(=O)Cc1cccc(O)c1 ZINC000111435411 185600679 /nfs/dbraw/zinc/60/06/79/185600679.db2.gz VCNKUOMLYNPGRO-JSGCOSHPSA-N -1 0 307.371 1.699 10 0 DDAERM CCC[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)N1CCOC(C)(C)C1 ZINC000111434357 185600854 /nfs/dbraw/zinc/60/08/54/185600854.db2.gz XTXZNDGAFSHPHD-WDEREUQCSA-N -1 0 316.423 1.845 10 0 DDAERM CC(C)[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000111448221 185604871 /nfs/dbraw/zinc/60/48/71/185604871.db2.gz AXDMCUIJCNOGAG-WYUUTHIRSA-N -1 0 316.423 1.484 10 0 DDAERM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c(Cl)c1OC ZINC000070270549 190876042 /nfs/dbraw/zinc/87/60/42/190876042.db2.gz DVIFSXSTXGFFJC-QPUJVOFHSA-N -1 0 313.737 1.961 10 0 DDAERM Cc1[nH]nc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)c1C(=O)[O-] ZINC000070446448 190894387 /nfs/dbraw/zinc/89/43/87/190894387.db2.gz UENLLOXQCXJGKG-OCAPTIKFSA-N -1 0 301.368 1.368 10 0 DDAERM CC[C@H]1CCCCN1C(=O)CSCC[C@H](NC=O)C(=O)[O-] ZINC000070989489 190928874 /nfs/dbraw/zinc/92/88/74/190928874.db2.gz AEXDTNJVRHJYEE-RYUDHWBXSA-N -1 0 316.423 1.100 10 0 DDAERM CN(Cc1nc[nH]n1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000080534625 192166494 /nfs/dbraw/zinc/16/64/94/192166494.db2.gz RTSLJWDPLHHAFO-UHFFFAOYSA-N -1 0 309.713 1.820 10 0 DDAERM Cc1[nH]nc(C(=O)[O-])c1S(=O)(=O)N(C)c1ccc(F)cc1 ZINC000071030489 190931054 /nfs/dbraw/zinc/93/10/54/190931054.db2.gz VQPYDRFRQWJPRB-UHFFFAOYSA-N -1 0 313.310 1.381 10 0 DDAERM C[C@]1(C(F)(F)F)NC(=O)N(Cc2ccc(C(=O)[O-])o2)C1=O ZINC000071196540 190940805 /nfs/dbraw/zinc/94/08/05/190940805.db2.gz IVFHTIVBZABEPK-JTQLQIEISA-N -1 0 306.196 1.351 10 0 DDAERM COC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392851 190965847 /nfs/dbraw/zinc/96/58/47/190965847.db2.gz MFCPZANFKGYTSB-UHFFFAOYSA-N -1 0 321.738 1.343 10 0 DDAERM CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NS(=O)(=O)CCCC(=O)[O-] ZINC000083799973 192384084 /nfs/dbraw/zinc/38/40/84/192384084.db2.gz CXNORILUNILRTO-ZKYQVNSYSA-N -1 0 303.424 1.985 10 0 DDAERM CC(C)(CC(=O)[O-])NC(=O)[C@H]1CSC(c2ccccc2)=N1 ZINC000084146022 192406475 /nfs/dbraw/zinc/40/64/75/192406475.db2.gz ZSWAMMLQZYGBPK-LLVKDONJSA-N -1 0 306.387 1.918 10 0 DDAERM Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC000262903151 186322300 /nfs/dbraw/zinc/32/23/00/186322300.db2.gz IWRBNPBCIDCZLC-PSASIEDQSA-N -1 0 303.717 1.955 10 0 DDAERM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000262909663 186324058 /nfs/dbraw/zinc/32/40/58/186324058.db2.gz JISJHAWJCYPXRT-JOCQHMNTSA-N -1 0 318.377 1.016 10 0 DDAERM O=C([O-])[C@@H]1CCC[C@@H](NS(=O)(=O)CCc2ccccc2)C1 ZINC000070556061 353180974 /nfs/dbraw/zinc/18/09/74/353180974.db2.gz DEGUSUYGCCOLLI-ZIAGYGMSSA-N -1 0 311.403 1.792 10 0 DDAERM O=C([O-])[C@@H]1CS[C@]2(c3ccc4c(c3)OCCO4)CCC(=O)N12 ZINC000002617565 180939216 /nfs/dbraw/zinc/93/92/16/180939216.db2.gz QQDIEEWOUOJCOZ-BONVTDFDSA-N -1 0 321.354 1.433 10 0 DDAERM COc1cccc(OCc2nnc(SCC(=O)[O-])n2C)c1 ZINC000004169346 181081220 /nfs/dbraw/zinc/08/12/20/181081220.db2.gz JHMDQKXUBNOLNB-UHFFFAOYSA-N -1 0 309.347 1.579 10 0 DDAERM C[C@@H](CC(=O)[O-])[C@@H]1CCCN(C(=O)N2CCSCC2)C1 ZINC000155770619 354214769 /nfs/dbraw/zinc/21/47/69/354214769.db2.gz LBTPLDDATXJOIX-NWDGAFQWSA-N -1 0 300.424 1.978 10 0 DDAERM CC(C)(C)n1c(=O)c2cc(Cl)ccc2n(CC(=O)[O-])c1=O ZINC000073658966 191338223 /nfs/dbraw/zinc/33/82/23/191338223.db2.gz SPKVATUGMSRZFF-UHFFFAOYSA-N -1 0 310.737 1.656 10 0 DDAERM Cc1cc2nc(SCC(=O)[O-])n(Cc3ccco3)c(=O)c2[nH]1 ZINC000073667726 191340116 /nfs/dbraw/zinc/34/01/16/191340116.db2.gz JHOUOJSDMNIJLF-UHFFFAOYSA-N -1 0 319.342 1.851 10 0 DDAERM CSCC[C@@H](NC(=O)N[C@@H](C)c1nccs1)C(=O)[O-] ZINC000080319680 192024762 /nfs/dbraw/zinc/02/47/62/192024762.db2.gz VYIPZBKTHBMVLX-JGVFFNPUSA-N -1 0 303.409 1.710 10 0 DDAERM Nc1nnc(SCC(=O)[O-])n1[C@@H]1CCCc2ccccc21 ZINC000080845592 192195053 /nfs/dbraw/zinc/19/50/53/192195053.db2.gz XCSUYOJDBQRXGQ-LLVKDONJSA-N -1 0 304.375 1.963 10 0 DDAERM Nc1nnc(SCC(=O)[O-])n1[C@@H]1CCc2ccccc2C1 ZINC000080845578 192195486 /nfs/dbraw/zinc/19/54/86/192195486.db2.gz MBBSUOAGWCYDOX-LLVKDONJSA-N -1 0 304.375 1.767 10 0 DDAERM Nc1nnc(SCC(=O)[O-])n1-c1cc(F)c(F)cc1F ZINC000080845715 192195542 /nfs/dbraw/zinc/19/55/42/192195542.db2.gz KOSLNRIBDOJMFM-UHFFFAOYSA-N -1 0 304.253 1.444 10 0 DDAERM CC(=O)c1csc([N-]S(=O)(=O)Cc2ccccc2N)n1 ZINC000080862558 192196947 /nfs/dbraw/zinc/19/69/47/192196947.db2.gz ANBOYJQFPVWEDS-UHFFFAOYSA-N -1 0 311.388 1.870 10 0 DDAERM CC[C@@](C)(CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000080885987 192198111 /nfs/dbraw/zinc/19/81/11/192198111.db2.gz MQKPAJFGCXLPRS-LBPRGKRZSA-N -1 0 323.317 1.102 10 0 DDAERM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000081692061 192313426 /nfs/dbraw/zinc/31/34/26/192313426.db2.gz UQXLPUQXTUZAFX-UHFFFAOYSA-N -1 0 301.759 1.458 10 0 DDAERM COc1ccc(Cl)cc1NC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000085861022 192537032 /nfs/dbraw/zinc/53/70/32/192537032.db2.gz IBOBEXHHAYUKAN-CYBMUJFWSA-N -1 0 314.725 1.714 10 0 DDAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000237118671 202159580 /nfs/dbraw/zinc/15/95/80/202159580.db2.gz VXZQCGSGOXJZHZ-CHWSQXEVSA-N -1 0 311.765 1.973 10 0 DDAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000237146756 202167188 /nfs/dbraw/zinc/16/71/88/202167188.db2.gz BVVQEPJBMYKPGR-HUUCEWRRSA-N -1 0 303.358 1.880 10 0 DDAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCc2ccc(C)cc2C)C1 ZINC000237233451 202199279 /nfs/dbraw/zinc/19/92/79/202199279.db2.gz YIEAORPUXFWKOM-LSDHHAIUSA-N -1 0 305.374 1.937 10 0 DDAERM C[C@@H](CNC(=O)c1cccc(OCC(F)(F)F)n1)CC(=O)[O-] ZINC000191222165 200647698 /nfs/dbraw/zinc/64/76/98/200647698.db2.gz SNVCJQAXSUUHCI-MRVPVSSYSA-N -1 0 320.267 1.863 10 0 DDAERM Cc1nc(=O)[nH]c(SCc2cncn2C(C)C)c1C(=O)[O-] ZINC000090236672 192921279 /nfs/dbraw/zinc/92/12/79/192921279.db2.gz RARVZGQWAYXLPT-UHFFFAOYSA-N -1 0 308.363 1.846 10 0 DDAERM CCc1nn(C)c(CN2CCO[C@@H](CC(=O)[O-])C2)c1Cl ZINC000091296754 193034451 /nfs/dbraw/zinc/03/44/51/193034451.db2.gz 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