smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@](NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)(C(=O)[O-])C1CC1 ZINC000780474154 939126882 /nfs/dbraw/zinc/12/68/82/939126882.db2.gz GBKUZQPHDCXAFJ-HXUWFJFHSA-N 0 1 408.930 2.405 20 0 HEADMN Cc1cc(C)n2ncc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)c2n1 ZINC001123267712 939817202 /nfs/dbraw/zinc/81/72/02/939817202.db2.gz JKKZNEVYSGMIHR-QFIPXVFZSA-N 0 1 407.474 2.195 20 0 HEADMN O=C([O-])[C@@]1(NC(=O)c2cccc(-n3ccnn3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372782 939823188 /nfs/dbraw/zinc/82/31/88/939823188.db2.gz UWJVTDNNWGMTHQ-JOCHJYFZSA-N 0 1 405.458 2.117 20 0 HEADMN O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)[C@H]1CC(c2ccccc2)=NO1 ZINC000769657150 1078492819 /nfs/dbraw/zinc/49/28/19/1078492819.db2.gz JARMQDRSRXRPEV-CVEARBPZSA-N 0 1 400.801 2.391 20 0 HEADMN O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000769657893 1078494363 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412.943 2.161 20 0 HEADMN Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000745821082 1078663835 /nfs/dbraw/zinc/66/38/35/1078663835.db2.gz VYOCYAGSGVPMLE-IAGOWNOFSA-N 0 1 411.428 2.046 20 0 HEADMN COc1ccnc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C)cc4)C3=O)CC2)c1 ZINC000745884194 1078685816 /nfs/dbraw/zinc/68/58/16/1078685816.db2.gz HWWUGBLCAVWHGP-HXUWFJFHSA-N 0 1 423.517 2.426 20 0 HEADMN CN(C)[C@H](CNC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)c1ccc(F)cc1 ZINC000770015876 1078687974 /nfs/dbraw/zinc/68/79/74/1078687974.db2.gz KILUTTPWPRLUSR-UHOSZYNNSA-N 0 1 403.502 2.317 20 0 HEADMN CN(CCNC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)Cc1ccc(F)cc1 ZINC000770025594 1078692997 /nfs/dbraw/zinc/69/29/97/1078692997.db2.gz UVRBBVOMXWUAKO-PKOBYXMFSA-N 0 1 403.502 2.146 20 0 HEADMN C[C@H]1CCN(CCNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942819 1078697150 /nfs/dbraw/zinc/69/71/50/1078697150.db2.gz SUCXSFULHOBFKC-HKUYNNGSSA-N 0 1 409.552 2.049 20 0 HEADMN COc1ccc([C@H](C)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000746048372 1078757737 /nfs/dbraw/zinc/75/77/37/1078757737.db2.gz GQKYBIFKLOQOLD-HNNXBMFYSA-N 0 1 407.511 2.434 20 0 HEADMN CN(Cc1ccn(-c2ccccc2)n1)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000746136190 1078802730 /nfs/dbraw/zinc/80/27/30/1078802730.db2.gz GXMYXKNQQULXPS-UHFFFAOYSA-N 0 1 404.518 2.438 20 0 HEADMN O=C(NCCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCCN1Cc1ccccc1 ZINC000746125269 1078797926 /nfs/dbraw/zinc/79/79/26/1078797926.db2.gz PEEWAHLWOWFEFB-OAQYLSRUSA-N 0 1 415.559 2.277 20 0 HEADMN CCN1CCN(CC(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000746186712 1078812641 /nfs/dbraw/zinc/81/26/41/1078812641.db2.gz UQKSUHZQKPFGCL-OALUTQOASA-N 0 1 408.587 2.405 20 0 HEADMN CN(C)[C@H](CNC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)c1cccc(F)c1 ZINC000770335079 1078816293 /nfs/dbraw/zinc/81/62/93/1078816293.db2.gz GROXVYIBOZCTKK-QRQLOZEOSA-N 0 1 403.502 2.317 20 0 HEADMN CC(C)(C)OC(=O)N(CCNC(=O)CCN1CCN(c2ccccn2)CC1)C1CC1 ZINC000746208540 1078818929 /nfs/dbraw/zinc/81/89/29/1078818929.db2.gz LWHIGJQLPKWLBQ-UHFFFAOYSA-N 0 1 417.554 2.109 20 0 HEADMN CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)[n-]c(=S)n(CCCOC)c3=O)C1 ZINC000746300648 1078847105 /nfs/dbraw/zinc/84/71/05/1078847105.db2.gz GRFKUIYGFYHTLQ-HNNXBMFYSA-N 0 1 418.563 2.183 20 0 HEADMN COCCOc1cc2c(cc1CN1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)OCO2 ZINC000770385255 1078849419 /nfs/dbraw/zinc/84/94/19/1078849419.db2.gz JPXNOTJWZOLCSN-ZWKOTPCHSA-N 0 1 403.479 2.262 20 0 HEADMN COc1ccnc(N2CCN(C(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)CC2)c1 ZINC000770433995 1078852797 /nfs/dbraw/zinc/85/27/97/1078852797.db2.gz IFYDIAYLSPLEPL-LJQANCHMSA-N 0 1 424.501 2.398 20 0 HEADMN C[C@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000770557328 1078880477 /nfs/dbraw/zinc/88/04/77/1078880477.db2.gz GHPDQHKLBYMYQD-HNNXBMFYSA-N 0 1 421.457 2.071 20 0 HEADMN COc1nc(C(=O)O[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(=O)[nH]1 ZINC000770522007 1078882826 /nfs/dbraw/zinc/88/28/26/1078882826.db2.gz 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CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)C1 ZINC000770797015 1079021387 /nfs/dbraw/zinc/02/13/87/1079021387.db2.gz YQQWRHSFXCAHHH-DOTOQJQBSA-N 0 1 416.522 2.332 20 0 HEADMN CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)C1 ZINC000770797019 1079021500 /nfs/dbraw/zinc/02/15/00/1079021500.db2.gz YQQWRHSFXCAHHH-RDJZCZTQSA-N 0 1 416.522 2.332 20 0 HEADMN Cc1cc[nH+]c(N2CCN(C(=O)CCn3c(=O)c4ccccc4[n-]c3=S)CC2)c1 ZINC000766493410 1079031858 /nfs/dbraw/zinc/03/18/58/1079031858.db2.gz LFSJLOQKJWGVRO-UHFFFAOYSA-N 0 1 409.515 2.128 20 0 HEADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC(N(C)CC(F)F)CC1 ZINC000746482394 1079041108 /nfs/dbraw/zinc/04/11/08/1079041108.db2.gz PDYMLJNUYKJPDG-KRWDZBQOSA-N 0 1 400.466 2.299 20 0 HEADMN O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001168922303 1079076822 /nfs/dbraw/zinc/07/68/22/1079076822.db2.gz LIOSXJFHZZZZDT-LBPRGKRZSA-N 0 1 418.500 2.118 20 0 HEADMN COc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cccnc4)CC3)CC2=O)cc1 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CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)c1 ZINC000771136682 1079186940 /nfs/dbraw/zinc/18/69/40/1079186940.db2.gz UNCPQFLWCUIKEW-UHFFFAOYSA-N 0 1 423.488 2.447 20 0 HEADMN O=C(OCc1ccccc1)N1CCC[C@](O)(CN2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001169233282 1079205109 /nfs/dbraw/zinc/20/51/09/1079205109.db2.gz MFSRYPQCCXQIIW-ZWKOTPCHSA-N 0 1 402.413 2.149 20 0 HEADMN COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3CCCN(c4ccccc4)C3=O)CCN2)c1 ZINC001169260513 1079214346 /nfs/dbraw/zinc/21/43/46/1079214346.db2.gz KNSFXXHFLZRJGB-KNQAVFIVSA-N 0 1 407.514 2.481 20 0 HEADMN COc1cccc(C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)CCN2)c1 ZINC001169261113 1079214441 /nfs/dbraw/zinc/21/44/41/1079214441.db2.gz SGKHTXYQZTYCCC-BWPNAZKDSA-N 0 1 415.534 2.436 20 0 HEADMN CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)cn1 ZINC000766644762 1079224084 /nfs/dbraw/zinc/22/40/84/1079224084.db2.gz PSUBTJKHLRBPLI-CYBMUJFWSA-N 0 1 400.439 2.284 20 0 HEADMN CCOC(=O)[C@@H]1CC[C@@H](NCc2ncn3c2CN(C(=O)OC(C)(C)C)CCC3)CO1 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O=C(c1[nH]nc2ccc(I)cc21)N1CCC2(CC1)OCCO2 ZINC000742518576 1076847279 /nfs/dbraw/zinc/84/72/79/1076847279.db2.gz GXXDISYQKGLTBY-UHFFFAOYSA-N 0 1 413.215 2.147 20 0 HEADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1cccc(F)c1 ZINC000766283301 1076851959 /nfs/dbraw/zinc/85/19/59/1076851959.db2.gz UEUQGPGXCQLEHQ-CQSZACIVSA-N 0 1 409.259 2.341 20 0 HEADMN CN(Cc1cnn(C)c1)C(=O)CN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742614941 1076856655 /nfs/dbraw/zinc/85/66/55/1076856655.db2.gz PPZVWVJYEYIEAO-LJQANCHMSA-N 0 1 419.570 2.490 20 0 HEADMN CN(C[C@@H]1CCCN1C(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)OC(C)(C)C ZINC000742883990 1076891663 /nfs/dbraw/zinc/89/16/63/1076891663.db2.gz JCVFPUMZQILNPP-SFHVURJKSA-N 0 1 417.554 2.305 20 0 HEADMN CN1CCN(CCOc2ccc(NC(=O)c3ccc(Cn4cccn4)o3)cc2)CC1 ZINC000742897511 1076893904 /nfs/dbraw/zinc/89/39/04/1076893904.db2.gz MPXSSAKQPWVEDM-UHFFFAOYSA-N 0 1 409.490 2.403 20 0 HEADMN CCN(CC)CCN(C(=S)N[C@@H]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000742979483 1076920989 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2.097 20 0 HEADMN Cn1ccnc1[C@](O)(CNCc1cnc2ccc(Br)cn12)C(F)(F)F ZINC000742370767 1076834567 /nfs/dbraw/zinc/83/45/67/1076834567.db2.gz MARKSYZFNFJYRB-CQSZACIVSA-N 0 1 418.217 2.370 20 0 HEADMN CCNC(=O)COc1ccc(CN[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1OC ZINC000742375657 1076834833 /nfs/dbraw/zinc/83/48/33/1076834833.db2.gz UMDQIUGGTKWXKH-LJQANCHMSA-N 0 1 411.502 2.414 20 0 HEADMN CCCCc1nnc(S[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1N ZINC000742454953 1076843243 /nfs/dbraw/zinc/84/32/43/1076843243.db2.gz RIXBHSGJJPIRDR-DOTOQJQBSA-N 0 1 402.568 2.206 20 0 HEADMN C[C@@H](C(=O)NCCN1CCN(C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000742500559 1076845622 /nfs/dbraw/zinc/84/56/22/1076845622.db2.gz DVUFDRJNAUAGBI-MJGOQNOKSA-N 0 1 404.555 2.252 20 0 HEADMN CCCN1C(=O)C(=O)N(CNC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000742540249 1076849777 /nfs/dbraw/zinc/84/97/77/1076849777.db2.gz CORUJVMFYPSMJA-UHFFFAOYSA-N 0 1 424.295 2.203 20 0 HEADMN COc1cc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc(NS(C)(=O)=O)c1OC ZINC000742577510 1076853000 /nfs/dbraw/zinc/85/30/00/1076853000.db2.gz ZGWAOSVSLRINFC-MRXNPFEDSA-N 0 1 424.523 2.117 20 0 HEADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000742646011 1076857412 /nfs/dbraw/zinc/85/74/12/1076857412.db2.gz CNUQIFUCGPHADU-CYBMUJFWSA-N 0 1 402.417 2.163 20 0 HEADMN COc1cc(C(=O)Nc2n[nH]c(-c3cccs3)n2)cc(NS(C)(=O)=O)c1OC ZINC000742627320 1076858870 /nfs/dbraw/zinc/85/88/70/1076858870.db2.gz GVQCKCUYULDVBK-UHFFFAOYSA-N 0 1 423.476 2.174 20 0 HEADMN CC(=O)Nc1ccc(OC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)c(F)c1 ZINC000742836682 1076885723 /nfs/dbraw/zinc/88/57/23/1076885723.db2.gz UDJPEYDIHVKSMY-UHFFFAOYSA-N 0 1 423.422 2.333 20 0 HEADMN C[C@@H](OC(=O)c1cccc2c1OCCO2)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000743015356 1076928294 /nfs/dbraw/zinc/92/82/94/1076928294.db2.gz YFHHDFMWGGINAQ-AEFFLSMTSA-N 0 1 410.470 2.394 20 0 HEADMN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3cccc4c3OCCO4)cc21 ZINC000743263685 1077017765 /nfs/dbraw/zinc/01/77/65/1077017765.db2.gz DOKVZVAGMXWGMW-UHFFFAOYSA-N 0 1 403.460 2.351 20 0 HEADMN COc1ccc(NS(=O)(=O)c2cnc3onc(C)c3c2)cc1N1CCOC1=O ZINC000743267022 1077018663 /nfs/dbraw/zinc/01/86/63/1077018663.db2.gz XFAXEMXDCZLHAR-UHFFFAOYSA-N 0 1 404.404 2.297 20 0 HEADMN CC(=O)Nc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(F)cc1F ZINC000743369078 1077033753 /nfs/dbraw/zinc/03/37/53/1077033753.db2.gz LINIQZUQVSVMKA-HNNXBMFYSA-N 0 1 416.428 2.252 20 0 HEADMN CCN1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)c3cc(C)oc3C)cn2)CC1 ZINC000743538410 1077070569 /nfs/dbraw/zinc/07/05/69/1077070569.db2.gz WMFGGSBGZIFKSM-JOCHJYFZSA-N 0 1 415.538 2.140 20 0 HEADMN COc1ccccc1OCCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000743621976 1077076428 /nfs/dbraw/zinc/07/64/28/1077076428.db2.gz HTLDJCFCSINKSG-CQSZACIVSA-N 0 1 413.927 2.382 20 0 HEADMN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000743699264 1077092702 /nfs/dbraw/zinc/09/27/02/1077092702.db2.gz DCWYHFQNCPNOFA-LJQANCHMSA-N 0 1 407.514 2.264 20 0 HEADMN C[C@@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743708296 1077094259 /nfs/dbraw/zinc/09/42/59/1077094259.db2.gz VOLAOJUXRJEYRJ-UONOGXRCSA-N 0 1 406.918 2.386 20 0 HEADMN CCN(CCC(=O)N1CCC[C@H]1C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000743840005 1077140893 /nfs/dbraw/zinc/14/08/93/1077140893.db2.gz POHFGNVUROVMHQ-GOSISDBHSA-N 0 1 402.539 2.185 20 0 HEADMN Cc1ccc(N2CCC[C@H](N3CCC(CNC(=O)c4cnn(C)c4)CC3)C2=O)cc1 ZINC000743851117 1077142034 /nfs/dbraw/zinc/14/20/34/1077142034.db2.gz KIFCXAIPYQDPRP-NRFANRHFSA-N 0 1 409.534 2.366 20 0 HEADMN CN1CCN(CCOc2ccc(NC(=O)C(=O)NC3CCCCCCC3)cc2)CC1 ZINC000743878839 1077162332 /nfs/dbraw/zinc/16/23/32/1077162332.db2.gz OIXOSPMQFQNINQ-UHFFFAOYSA-N 0 1 416.566 2.480 20 0 HEADMN O=C(NCc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743915922 1077197378 /nfs/dbraw/zinc/19/73/78/1077197378.db2.gz QNZVIPGDLGBUAX-UHFFFAOYSA-N 0 1 422.514 2.280 20 0 HEADMN O=C(NCc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743915922 1077197393 /nfs/dbraw/zinc/19/73/93/1077197393.db2.gz QNZVIPGDLGBUAX-UHFFFAOYSA-N 0 1 422.514 2.280 20 0 HEADMN CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000743944165 1077238653 /nfs/dbraw/zinc/23/86/53/1077238653.db2.gz HQPLZATZSPTQCB-SFHVURJKSA-N 0 1 402.539 2.042 20 0 HEADMN Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000743963092 1077271097 /nfs/dbraw/zinc/27/10/97/1077271097.db2.gz CZWQUWQDECGEBR-SFHVURJKSA-N 0 1 410.518 2.269 20 0 HEADMN COc1ccccc1C[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000743968977 1077274152 /nfs/dbraw/zinc/27/41/52/1077274152.db2.gz ADYZFYFTLADRHQ-SFHVURJKSA-N 0 1 424.545 2.475 20 0 HEADMN Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](CN4CCOCC4)C3)cc2)nc1 ZINC000743947224 1077276913 /nfs/dbraw/zinc/27/69/13/1077276913.db2.gz UYGYUVRMLSIIKS-SFHVURJKSA-N 0 1 424.501 2.302 20 0 HEADMN NS(=O)(=O)c1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1F ZINC000743950697 1077278905 /nfs/dbraw/zinc/27/89/05/1077278905.db2.gz XIURDOZNPBGZPR-HNNXBMFYSA-N 0 1 404.423 2.453 20 0 HEADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NCC(C)(C)SC ZINC000744000054 1077288438 /nfs/dbraw/zinc/28/84/38/1077288438.db2.gz OMWRURQTQDNMEU-UHFFFAOYSA-N 0 1 408.568 2.033 20 0 HEADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)Nc3ccc(F)nc3)cc2)C[C@@H](C)O1 ZINC000766304611 1077337006 /nfs/dbraw/zinc/33/70/06/1077337006.db2.gz UGGQTRDZKRILSG-HUUCEWRRSA-N 0 1 400.454 2.085 20 0 HEADMN CCN(CCc1ccccn1)CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000744194538 1077338117 /nfs/dbraw/zinc/33/81/17/1077338117.db2.gz JEXPTXRZEDWCGP-IBGZPJMESA-N 0 1 400.567 2.443 20 0 HEADMN Cc1ccc2nc(CNC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)[nH]c2c1 ZINC000744740049 1077574625 /nfs/dbraw/zinc/57/46/25/1077574625.db2.gz ASDNXBNEVKGCQG-UHFFFAOYSA-N 0 1 412.471 2.354 20 0 HEADMN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2nc3ccc(C)cc3[nH]2)n(C)c1 ZINC000744740834 1077575061 /nfs/dbraw/zinc/57/50/61/1077575061.db2.gz JZJAWBQUWRQISW-UHFFFAOYSA-N 0 1 403.508 2.170 20 0 HEADMN COc1cc(C(=O)Nc2cccc(N(C)C(C)=O)c2)cc(NS(C)(=O)=O)c1OC ZINC000744772696 1077577804 /nfs/dbraw/zinc/57/78/04/1077577804.db2.gz DQBXBDCIDAUYGH-UHFFFAOYSA-N 0 1 421.475 2.310 20 0 HEADMN Cc1[nH]nc2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000744783864 1077583033 /nfs/dbraw/zinc/58/30/33/1077583033.db2.gz KJATZSVCCURKDE-CRAIPNDOSA-N 0 1 407.474 2.202 20 0 HEADMN C[C@H](OC(=O)c1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000744813614 1077585319 /nfs/dbraw/zinc/58/53/19/1077585319.db2.gz VYKCBGGVMPCBJD-ZFWWWQNUSA-N 0 1 424.423 2.375 20 0 HEADMN CS(=O)(=O)Nc1cc(F)ccc1C(=O)OCC(=O)Nc1ccnn1C1CCCC1 ZINC000744789912 1077591782 /nfs/dbraw/zinc/59/17/82/1077591782.db2.gz LWLAADMDWQEELT-UHFFFAOYSA-N 0 1 424.454 2.304 20 0 HEADMN Cc1ccc(N2CC[C@H](OC(=O)c3ccc(F)cc3NS(C)(=O)=O)C2=O)cc1 ZINC000744789783 1077591804 /nfs/dbraw/zinc/59/18/04/1077591804.db2.gz KBTRBCSEVHTVOP-KRWDZBQOSA-N 0 1 406.435 2.468 20 0 HEADMN CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000745024888 1077708858 /nfs/dbraw/zinc/70/88/58/1077708858.db2.gz ZWNDEDSZEACEFM-UGSOOPFHSA-N 0 1 415.412 2.218 20 0 HEADMN CC[C@H](C(=O)O[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(CC)CC ZINC000745096023 1077729332 /nfs/dbraw/zinc/72/93/32/1077729332.db2.gz TVJAYXSDRKQHJP-UKRRQHHQSA-N 0 1 407.467 2.158 20 0 HEADMN Cc1cccc2c(CCC(=O)OCC(=O)NC[C@@H]3CN(CC(C)C)CCO3)c[nH]c21 ZINC000745135162 1077748761 /nfs/dbraw/zinc/74/87/61/1077748761.db2.gz IGHLORRUQBLOJW-LJQANCHMSA-N 0 1 415.534 2.425 20 0 HEADMN CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000745268821 1077796533 /nfs/dbraw/zinc/79/65/33/1077796533.db2.gz VUOBHSVYVJGODT-GOSISDBHSA-N 0 1 417.481 2.451 20 0 HEADMN Cc1ccc(N2CC[C@H](NC(=O)NCC3(N4CCOCC4)CCCCC3)C2=O)cc1 ZINC000745290043 1077804086 /nfs/dbraw/zinc/80/40/86/1077804086.db2.gz UBIFUIJPZUOOSC-FQEVSTJZSA-N 0 1 414.550 2.435 20 0 HEADMN CC(C)CN1CCO[C@@H](CNC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C1 ZINC000745315525 1077806586 /nfs/dbraw/zinc/80/65/86/1077806586.db2.gz IOFRDDTYUIDCOR-SFHVURJKSA-N 0 1 416.522 2.068 20 0 HEADMN CCn1c(=O)c2ccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc2[n-]c1=S ZINC000745399639 1077818158 /nfs/dbraw/zinc/81/81/58/1077818158.db2.gz RICCKSNBURBICS-MRXNPFEDSA-N 0 1 416.547 2.032 20 0 HEADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000745406921 1077819209 /nfs/dbraw/zinc/81/92/09/1077819209.db2.gz VJRGOCXYJQRMFN-UHFFFAOYSA-N 0 1 416.438 2.043 20 0 HEADMN CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@H]2CCSc3ccccc32)C1 ZINC000745428823 1077823902 /nfs/dbraw/zinc/82/39/02/1077823902.db2.gz QXYNPIZBWIOLHV-AEFFLSMTSA-N 0 1 406.548 2.282 20 0 HEADMN Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)C2=O)cc1 ZINC000745432808 1077824729 /nfs/dbraw/zinc/82/47/29/1077824729.db2.gz LJZFOHDYLNDNEI-RTWAWAEBSA-N 0 1 415.582 2.062 20 0 HEADMN COc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000766944983 1079533787 /nfs/dbraw/zinc/53/37/87/1079533787.db2.gz HOTYIGVLDGZYAR-IPELMVKDSA-N 0 1 416.522 2.030 20 0 HEADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCc1nnc(-c2ccccc2)n1C ZINC000771948146 1079597161 /nfs/dbraw/zinc/59/71/61/1079597161.db2.gz GZXITIIEBFEETN-UHFFFAOYSA-N 0 1 417.429 2.029 20 0 HEADMN C[C@H](CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1)N1CCc2ccccc2C1 ZINC000771948934 1079598117 /nfs/dbraw/zinc/59/81/17/1079598117.db2.gz GXLKZUXHWLOLJJ-UTKZUKDTSA-N 0 1 411.550 2.322 20 0 HEADMN O=C(CN1CCCCCCC1)Nc1ccc(N2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)cc1 ZINC000771962512 1079608024 /nfs/dbraw/zinc/60/80/24/1079608024.db2.gz CRQPFOLZCUCUPL-ICSRJNTNSA-N 0 1 414.506 2.183 20 0 HEADMN O=C(CN1CCCCCCC1)Nc1ccc(N2C(=O)N[C@]3(CCOC3)C2=O)cc1 ZINC000771963788 1079611416 /nfs/dbraw/zinc/61/14/16/1079611416.db2.gz IBVBGWBNVOTGLR-NRFANRHFSA-N 0 1 400.479 2.107 20 0 HEADMN COC(=O)CS(=O)(=O)Cc1ccc(CNCc2cnc3ccc(C)cn23)cc1 ZINC000771972503 1079616602 /nfs/dbraw/zinc/61/66/02/1079616602.db2.gz VBKYQLAJEQETOT-UHFFFAOYSA-N 0 1 401.488 2.020 20 0 HEADMN C[C@@H]1CN(CCCNC(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000772045201 1079666943 /nfs/dbraw/zinc/66/69/43/1079666943.db2.gz XCUQZFLNEINNEJ-ZACQAIPSSA-N 0 1 415.600 2.345 20 0 HEADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)OC[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000772077803 1079689011 /nfs/dbraw/zinc/68/90/11/1079689011.db2.gz WYGOYVYNANXGTN-HNNXBMFYSA-N 0 1 408.414 2.251 20 0 HEADMN COc1cccc(-c2nc(C)c(C(=O)O[C@@H]3CCN(c4cc(C)nn4C)C3=O)[nH]2)c1 ZINC000772100731 1079702578 /nfs/dbraw/zinc/70/25/78/1079702578.db2.gz RBPVTCKOWYTMMV-MRXNPFEDSA-N 0 1 409.446 2.398 20 0 HEADMN COc1cccc(-c2nc(C)c(C(=O)O[C@@H]3CCCN(c4cnn(C)c4)C3=O)[nH]2)c1 ZINC000772101686 1079703445 /nfs/dbraw/zinc/70/34/45/1079703445.db2.gz WDVVZCWTVKQXHT-QGZVFWFLSA-N 0 1 409.446 2.480 20 0 HEADMN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000767169364 1079705281 /nfs/dbraw/zinc/70/52/81/1079705281.db2.gz ZOGHDCYNSBZLIW-SFHVURJKSA-N 0 1 422.595 2.434 20 0 HEADMN CN1CCN(c2cccc(C(=O)NC[C@H](O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000767170503 1079705985 /nfs/dbraw/zinc/70/59/85/1079705985.db2.gz LTDJBVBMUDIIFI-KRWDZBQOSA-N 0 1 408.424 2.316 20 0 HEADMN 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