smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCc1ccc(OC)cc1)CC2 ZINC000004222657 291382174 /nfs/dbraw/zinc/38/21/74/291382174.db2.gz HZFXTJJISFBXOP-GHTZIAJQSA-N 0 0 425.569 4.395 40 0 biogenic,in-vitro IIABRN CS(=O)(=O)c1ccc(O[C@H]2COCCN(Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000077265866 291384047 /nfs/dbraw/zinc/38/40/47/291384047.db2.gz MVWUOBKIHRPVQF-XMMPIXPASA-N 0 0 437.561 4.037 40 0 biogenic,in-vitro IIABRN C[C@H](O)c1c(C(=O)N2CCN(Cc3ccccc3)CC2)onc1-c1ccc(Cl)cc1 ZINC000253401576 291384640 /nfs/dbraw/zinc/38/46/40/291384640.db2.gz NIERNRKPDAMIKF-INIZCTEOSA-N 0 0 425.916 4.006 40 0 biogenic,in-vitro IIABRN OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(Cc2ccccc2F)CC1 ZINC000225473610 291386188 /nfs/dbraw/zinc/38/61/88/291386188.db2.gz NHQCZUWPNLXUPG-UHFFFAOYSA-N 0 0 437.584 4.324 40 0 biogenic,in-vitro IIABRN O=C(COc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc(Cl)cc3)ccc12 ZINC000004237114 291385496 /nfs/dbraw/zinc/38/54/96/291385496.db2.gz RAFOTHSNTUQJPU-PKOBYXMFSA-N 0 0 434.923 4.193 40 0 biogenic,in-vitro IIABRN O=C(COc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(Cl)cc3)c12 ZINC000004237385 291385512 /nfs/dbraw/zinc/38/55/12/291385512.db2.gz FGYODWUAAYSKMS-PKOBYXMFSA-N 0 0 434.923 4.193 40 0 biogenic,in-vitro IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F ZINC000223224960 193954109 /nfs/dbraw/zinc/95/41/09/193954109.db2.gz GQFUTJFVFZRKJW-RUZDIDTESA-N 0 0 432.539 4.453 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223360676 193971387 /nfs/dbraw/zinc/97/13/87/193971387.db2.gz NMLHWQJCKYLEFO-NRFANRHFSA-N 0 0 446.975 4.450 40 0 IIABRN COc1ccc2nc3sc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c(N)c3cc2c1 ZINC000013503435 132347185 /nfs/dbraw/zinc/34/71/85/132347185.db2.gz RDHCHKAXHSOPQO-UHFFFAOYSA-N 0 0 436.512 4.142 40 0 IIABRN COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000013503908 132347438 /nfs/dbraw/zinc/34/74/38/132347438.db2.gz BLSYHJSXPHIKMR-RUZDIDTESA-N 0 0 446.599 4.325 40 0 IIABRN COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000013503880 132347460 /nfs/dbraw/zinc/34/74/60/132347460.db2.gz CDLPEBOJCZODLJ-RUZDIDTESA-N 0 0 446.599 4.325 40 0 IIABRN Cc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013505038 132348607 /nfs/dbraw/zinc/34/86/07/132348607.db2.gz PICSZKJFYUQXKU-VWLOTQADSA-N 0 0 442.567 4.151 40 0 IIABRN O=C(NC1CCCCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013678668 132353057 /nfs/dbraw/zinc/35/30/57/132353057.db2.gz GWBFHVITDJLCTG-QHCPKHFHSA-N 0 0 442.581 4.013 40 0 IIABRN Cc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1C ZINC000013679157 132353228 /nfs/dbraw/zinc/35/32/28/132353228.db2.gz ALQPCMVHFHPKHQ-QHCPKHFHSA-N 0 0 436.533 4.040 40 0 IIABRN Cc1cccc(N2CCN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)CC2)c1C ZINC000013681261 132353275 /nfs/dbraw/zinc/35/32/75/132353275.db2.gz ZHNCNCHSVZFLRS-UHFFFAOYSA-N 0 0 449.576 4.067 40 0 IIABRN CC(=O)c1sc(C2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)nc1C ZINC000012186196 518494720 /nfs/dbraw/zinc/49/47/20/518494720.db2.gz GLZMKRKTSRUABF-UHFFFAOYSA-N 0 0 430.555 4.104 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1F ZINC000012870022 518746582 /nfs/dbraw/zinc/74/65/82/518746582.db2.gz IVLPLTZXQLCQNC-GOSISDBHSA-N 0 0 430.480 4.119 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012638109 518748216 /nfs/dbraw/zinc/74/82/16/518748216.db2.gz RVMVYWSVYFFZRL-IBGZPJMESA-N 0 0 444.507 4.115 40 0 IIABRN CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc3ccccc31)C(=O)C(C)(C)O2 ZINC000012875830 519717553 /nfs/dbraw/zinc/71/75/53/519717553.db2.gz CUQYFNSIOWBPTL-UHFFFAOYSA-N 0 0 445.519 4.121 40 0 IIABRN CC(C)Oc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000022401558 519780374 /nfs/dbraw/zinc/78/03/74/519780374.db2.gz IGXMIJKLAGFTSX-UHFFFAOYSA-N 0 0 446.569 4.200 40 0 IIABRN CCCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022427544 520383089 /nfs/dbraw/zinc/38/30/89/520383089.db2.gz WGHCDTVAMDJBEY-JOCHJYFZSA-N 0 0 432.586 4.126 40 0 IIABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccccn1 ZINC000021005688 520540666 /nfs/dbraw/zinc/54/06/66/520540666.db2.gz BAGMHEPJTQWUIR-QHCPKHFHSA-N 0 0 426.476 4.429 40 0 IIABRN CC1(C)C[C@H](NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)c2ccccc2O1 ZINC000022339861 520547969 /nfs/dbraw/zinc/54/79/69/520547969.db2.gz BZFUSHFBHFJVFK-FQEVSTJZSA-N 0 0 438.549 4.024 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000022248627 520782808 /nfs/dbraw/zinc/78/28/08/520782808.db2.gz OHQMBPBGWJGBHP-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000020459963 521221298 /nfs/dbraw/zinc/22/12/98/521221298.db2.gz MNYDJHOGUDBDQV-MRXNPFEDSA-N 0 0 444.578 4.463 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 ZINC000035313114 521336436 /nfs/dbraw/zinc/33/64/36/521336436.db2.gz GZZFKBBYVZVKQJ-HXUWFJFHSA-N 0 0 440.544 4.366 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(C)cc1C ZINC000012869019 521336684 /nfs/dbraw/zinc/33/66/84/521336684.db2.gz LXXBHDXDWYQGOZ-HXUWFJFHSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(C)c1C ZINC000012868951 521337173 /nfs/dbraw/zinc/33/71/73/521337173.db2.gz GHBQVNNSFYQOSB-LJQANCHMSA-N 0 0 426.542 4.441 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc(OC)cc1 ZINC000012870333 521337511 /nfs/dbraw/zinc/33/75/11/521337511.db2.gz OEPJJXWHGXEUPI-HXUWFJFHSA-N 0 0 438.553 4.240 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1OC)N(C(=O)c1csnn1)c1ccccc1 ZINC000012868171 521345653 /nfs/dbraw/zinc/34/56/53/521345653.db2.gz CUCLDQBXLVRKPI-FQEVSTJZSA-N 0 0 438.553 4.240 40 0 IIABRN CCOc1cccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000022381408 521382043 /nfs/dbraw/zinc/38/20/43/521382043.db2.gz ZZPUSFAVJARSQG-UHFFFAOYSA-N 0 0 440.521 4.282 40 0 IIABRN CCOc1ccccc1CNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000022513116 521500848 /nfs/dbraw/zinc/50/08/48/521500848.db2.gz DTFANQKHXKLOGN-UHFFFAOYSA-N 0 0 438.549 4.149 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000224010604 521744935 /nfs/dbraw/zinc/74/49/35/521744935.db2.gz AZBTUKASPZUUFF-INIZCTEOSA-N 0 0 434.989 4.384 40 0 IIABRN CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1c(F)cccc1Cl ZINC000012471893 522037392 /nfs/dbraw/zinc/03/73/92/522037392.db2.gz HYRMQSLKXFHKHN-XIKOKIGWSA-N 0 0 438.956 4.371 40 0 IIABRN CC[C@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020456498 522382893 /nfs/dbraw/zinc/38/28/93/522382893.db2.gz GJRAHKVIDUPSDA-SFHVURJKSA-N 0 0 429.369 4.335 40 0 IIABRN COc1cc(CNC(=S)Nc2ccc(Br)c(C)c2)cc(OC)c1OC ZINC000033871881 522440316 /nfs/dbraw/zinc/44/03/16/522440316.db2.gz GCNLDHQBDIIHJA-UHFFFAOYSA-N 0 0 425.348 4.270 40 0 IIABRN CNc1cc(C[C@@H](NC(=O)c2cc(C(C)(C)C)nn2C)c2ccccc2)nc(C2CC2)n1 ZINC000019083799 522567037 /nfs/dbraw/zinc/56/70/37/522567037.db2.gz LFFSEHODFGSCSZ-LJQANCHMSA-N 0 0 432.572 4.141 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000020481605 522681252 /nfs/dbraw/zinc/68/12/52/522681252.db2.gz HXVWJNBOTUTNSN-MRXNPFEDSA-N 0 0 448.894 4.392 40 0 IIABRN CC[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022365923 522683607 /nfs/dbraw/zinc/68/36/07/522683607.db2.gz KCUYTEYBLYNYPA-LJQANCHMSA-N 0 0 426.941 4.129 40 0 IIABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000020797592 522712053 /nfs/dbraw/zinc/71/20/53/522712053.db2.gz YZESVURJGZIOTR-UHFFFAOYSA-N 0 0 431.496 4.240 40 0 IIABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(OC)cc1 ZINC000020458146 522778625 /nfs/dbraw/zinc/77/86/25/522778625.db2.gz HRHFRACFOFJULM-JOCHJYFZSA-N 0 0 430.570 4.059 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3c(C)ccc(C)c3[nH]c1=O)N(C(=O)C(C)C)CC2 ZINC000035313498 523039637 /nfs/dbraw/zinc/03/96/37/523039637.db2.gz URHYRDAEIIMPDA-DEOSSOPVSA-N 0 0 434.536 4.292 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3cc(C)c(C)cc3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035315238 523049346 /nfs/dbraw/zinc/04/93/46/523049346.db2.gz PNTXGQHVDLAMBT-RUZDIDTESA-N 0 0 446.547 4.436 40 0 IIABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 ZINC000012241696 523065592 /nfs/dbraw/zinc/06/55/92/523065592.db2.gz DTCLLWRFCZINQT-UYAOXDASSA-N 0 0 438.572 4.073 40 0 IIABRN CN(c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1)S(=O)(=O)c1cccs1 ZINC000020457489 523634669 /nfs/dbraw/zinc/63/46/69/523634669.db2.gz DNHDNLPCWPVRNH-HXUWFJFHSA-N 0 0 426.563 4.381 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000022229839 523797439 /nfs/dbraw/zinc/79/74/39/523797439.db2.gz URBJVYGGMHURMX-KRWDZBQOSA-N 0 0 443.352 4.102 40 0 IIABRN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000035288855 523826242 /nfs/dbraw/zinc/82/62/42/523826242.db2.gz XCNHXSVTABVSDZ-UHFFFAOYSA-N 0 0 445.548 4.436 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)Nc2nc(C)c(C)s2)nc2cccnc21 ZINC000035289501 524302253 /nfs/dbraw/zinc/30/22/53/524302253.db2.gz IVISKVGSHWHOBP-UHFFFAOYSA-N 0 0 425.539 4.233 40 0 IIABRN COc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2cccc(C)c2)cc1 ZINC000012870355 524338169 /nfs/dbraw/zinc/33/81/69/524338169.db2.gz OKSZEMODPNYXNU-FQEVSTJZSA-N 0 0 438.553 4.158 40 0 IIABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCCC1 ZINC000012882089 524358322 /nfs/dbraw/zinc/35/83/22/524358322.db2.gz ZOGGXNXTEPCWJM-HDICACEKSA-N 0 0 442.629 4.367 40 0 IIABRN Cc1cc(C)cc(-n2c3nnc(SC[C@@H](O)c4ccccc4)n3c3ccccc3c2=O)c1 ZINC000015243800 524358784 /nfs/dbraw/zinc/35/87/84/524358784.db2.gz ZRCCRKMNOKAOOJ-JOCHJYFZSA-N 0 0 442.544 4.476 40 0 IIABRN Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2F)cc1 ZINC000012872324 524361928 /nfs/dbraw/zinc/36/19/28/524361928.db2.gz SMFYJSGFEWJGAS-HXUWFJFHSA-N 0 0 440.544 4.284 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022428010 524365317 /nfs/dbraw/zinc/36/53/17/524365317.db2.gz WPHGDDHUCGURGF-UHFFFAOYSA-N 0 0 436.577 4.466 40 0 IIABRN Cc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000022233483 524599265 /nfs/dbraw/zinc/59/92/65/524599265.db2.gz UJDDORXCCGOUHH-UHFFFAOYSA-N 0 0 442.512 4.118 40 0 IIABRN COc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000041086191 524616895 /nfs/dbraw/zinc/61/68/95/524616895.db2.gz KWHJAMUNMIGWKH-UHFFFAOYSA-N 0 0 430.464 4.235 40 0 IIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)c1 ZINC000012674515 524770280 /nfs/dbraw/zinc/77/02/80/524770280.db2.gz VMPCORHIGJMOPP-UHFFFAOYSA-N 0 0 434.315 4.450 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c(C)c1 ZINC000012637036 524878957 /nfs/dbraw/zinc/87/89/57/524878957.db2.gz CTGSRVYEUOCRHI-JOCHJYFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c(C)c1 ZINC000020461022 524893875 /nfs/dbraw/zinc/89/38/75/524893875.db2.gz PGLHVHPELSKACS-RUZDIDTESA-N 0 0 436.577 4.284 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020491305 524898056 /nfs/dbraw/zinc/89/80/56/524898056.db2.gz JZKDZDBQTGLABR-IBGZPJMESA-N 0 0 434.989 4.262 40 0 IIABRN C[C@H]1Cc2cc(C(=O)NCc3ccccc3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448423 524979954 /nfs/dbraw/zinc/97/99/54/524979954.db2.gz IGFHKGUQKYLTDR-INIZCTEOSA-N 0 0 440.952 4.410 40 0 IIABRN C[C@H]1Cc2cc(C(=O)N3CCCCCC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448683 524980333 /nfs/dbraw/zinc/98/03/33/524980333.db2.gz VMQXUIMVALCIAS-INIZCTEOSA-N 0 0 432.973 4.496 40 0 IIABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000020037928 525052614 /nfs/dbraw/zinc/05/26/14/525052614.db2.gz NZFVLBYRYOVQBE-INIZCTEOSA-N 0 0 448.585 4.085 40 0 IIABRN COc1ccc(SCC(=O)Nc2ccc(I)cc2C)cc1OC ZINC000020455956 525101213 /nfs/dbraw/zinc/10/12/13/525101213.db2.gz BODVILYJRDBUPL-UHFFFAOYSA-N 0 0 443.306 4.348 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000022231377 525155816 /nfs/dbraw/zinc/15/58/16/525155816.db2.gz VVBCMOUMXXFDSM-UHFFFAOYSA-N 0 0 444.597 4.261 40 0 IIABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C(C)(C)C)cc1 ZINC000020495363 525173911 /nfs/dbraw/zinc/17/39/11/525173911.db2.gz CBXXRMBMPWKXHB-WMZOPIPTSA-N 0 0 434.627 4.324 40 0 IIABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2Sc2ccccc2)Oc2ccccc21 ZINC000020459186 525187228 /nfs/dbraw/zinc/18/72/28/525187228.db2.gz XRCHJZYDPINXQW-HXUWFJFHSA-N 0 0 440.546 4.004 40 0 IIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000020459239 525218799 /nfs/dbraw/zinc/21/87/99/525218799.db2.gz WWSIFWWLFYMMJM-UHFFFAOYSA-N 0 0 433.382 4.028 40 0 IIABRN C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000022606100 525221893 /nfs/dbraw/zinc/22/18/93/525221893.db2.gz MUQUVDMAIKKIAM-SJORKVTESA-N 0 0 438.524 4.457 40 0 IIABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000022460052 525268148 /nfs/dbraw/zinc/26/81/48/525268148.db2.gz AOVMMBCQFJVQAX-GDBMZVCRSA-N 0 0 441.380 4.272 40 0 IIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020153636 525279108 /nfs/dbraw/zinc/27/91/08/525279108.db2.gz JJEBSBPMUSQYSR-UHFFFAOYSA-N 0 0 430.913 4.293 40 0 IIABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022427904 525305372 /nfs/dbraw/zinc/30/53/72/525305372.db2.gz PKWWPBFTJNXTAM-IBGZPJMESA-N 0 0 438.549 4.076 40 0 IIABRN COc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000020460641 525315392 /nfs/dbraw/zinc/31/53/92/525315392.db2.gz HGPUKACZXIDMJL-HNNXBMFYSA-N 0 0 430.551 4.073 40 0 IIABRN Cc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(C[C@@H]1CCCO1)C(=O)c1ccccn1 ZINC000035313898 525342277 /nfs/dbraw/zinc/34/22/77/525342277.db2.gz HONNHIAGUSKXMN-DHLKQENFSA-N 0 0 443.547 4.069 40 0 IIABRN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)COc3cccc(F)c3)nc12 ZINC000041089913 525462839 /nfs/dbraw/zinc/46/28/39/525462839.db2.gz KPUVQTJWSUHHJA-UHFFFAOYSA-N 0 0 449.507 4.452 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2cc(C)cc(C)c2)cc1 ZINC000022430489 525504535 /nfs/dbraw/zinc/50/45/35/525504535.db2.gz KQGMAQOIUOBJHQ-UHFFFAOYSA-N 0 0 440.540 4.263 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2csnn2)cc1 ZINC000012638550 525677746 /nfs/dbraw/zinc/67/77/46/525677746.db2.gz NHHMQXPPWYGBLB-QHCPKHFHSA-N 0 0 448.592 4.332 40 0 IIABRN Cc1ccnc(SCc2nc3cc(NC(=S)N[C@@H]4C[C@H]5CC[C@@H]4C5)ccc3n2C)n1 ZINC000012323895 525708638 /nfs/dbraw/zinc/70/86/38/525708638.db2.gz SRGZXJFVWAKPMU-ZMSDIMECSA-N 0 0 438.626 4.439 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccnc2)c1 ZINC000035289141 525748171 /nfs/dbraw/zinc/74/81/71/525748171.db2.gz REGDMRQNJTWIHQ-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1OC ZINC000015438774 525834619 /nfs/dbraw/zinc/83/46/19/525834619.db2.gz OGFRCUGCAPVNBJ-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN Cc1ccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)NCc4ccc(F)cc4)cc23)cc1 ZINC000021867198 525867808 /nfs/dbraw/zinc/86/78/08/525867808.db2.gz DWAGKVPOQKWHKP-UHFFFAOYSA-N 0 0 427.439 4.028 40 0 IIABRN Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)c1csnn1 ZINC000012872587 525867858 /nfs/dbraw/zinc/86/78/58/525867858.db2.gz BGBLSASQKWBXNT-SFHVURJKSA-N 0 0 442.610 4.249 40 0 IIABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCc2ccccc2C)C(=O)c2csnn2)o1 ZINC000012872649 525871473 /nfs/dbraw/zinc/87/14/73/525871473.db2.gz GUQZXCNFOMCUCI-HXUWFJFHSA-N 0 0 440.569 4.089 40 0 IIABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2F)cc1 ZINC000012869834 525871876 /nfs/dbraw/zinc/87/18/76/525871876.db2.gz QBJZHJICMDXGQY-LJQANCHMSA-N 0 0 426.517 4.288 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c(C)c1 ZINC000020490299 525885629 /nfs/dbraw/zinc/88/56/29/525885629.db2.gz DEMVMKVSBSXQTR-FQEVSTJZSA-N 0 0 428.598 4.031 40 0 IIABRN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccncc2)c(C)c1 ZINC000035290405 525900093 /nfs/dbraw/zinc/90/00/93/525900093.db2.gz ZMJBHEZZBJUIIB-UHFFFAOYSA-N 0 0 429.549 4.355 40 0 IIABRN Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)Nc1ccc(F)cc1)c1nnnn12 ZINC000012493375 526218148 /nfs/dbraw/zinc/21/81/48/526218148.db2.gz WCFKSZMPGLZSOT-UHFFFAOYSA-N 0 0 441.470 4.354 40 0 IIABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(Cl)cc3)c3nnnn3c2c1 ZINC000035290971 526228646 /nfs/dbraw/zinc/22/86/46/526228646.db2.gz IFIDXWZTNUKJBW-HXUWFJFHSA-N 0 0 435.915 4.061 40 0 IIABRN COc1cccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1 ZINC000017227444 526236268 /nfs/dbraw/zinc/23/62/68/526236268.db2.gz NOFGSAHLTMRFME-UHFFFAOYSA-N 0 0 435.299 4.395 40 0 IIABRN Cc1ccc(C(O)=C2[C@@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000011990769 526241201 /nfs/dbraw/zinc/24/12/01/526241201.db2.gz IJKODCHCMJFGAX-RKVPGOIHSA-N 0 0 447.240 4.406 40 0 IIABRN Cc1csc(C(=O)N2CCO[C@H](c3nc(Cc4cccc(C(F)(F)F)c4)no3)C2)c1 ZINC000019124597 526315310 /nfs/dbraw/zinc/31/53/10/526315310.db2.gz GXTNIGKIQAOFRW-HNNXBMFYSA-N 0 0 437.443 4.263 40 0 IIABRN O=C(c1cc(-c2ccco2)n[nH]1)N1C[C@H]2[C@H](CC[C@]2(O)c2cccc(C(F)(F)F)c2)C1 ZINC000012087727 526595246 /nfs/dbraw/zinc/59/52/46/526595246.db2.gz OWCDVFDXKVYKET-QTPGKHNVSA-N 0 0 431.414 4.058 40 0 IIABRN O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)[C@@H]2C1 ZINC000040895708 526672484 /nfs/dbraw/zinc/67/24/84/526672484.db2.gz SFRQIPRTNYHJHP-QHCPKHFHSA-N 0 0 445.494 4.116 40 0 in-vitro IIABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1 ZINC000012880148 526736346 /nfs/dbraw/zinc/73/63/46/526736346.db2.gz HILLZAXHZYNSCO-URXFXBBRSA-N 0 0 444.556 4.357 40 0 IIABRN O=C(NCc1ccccc1)[C@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1ccccn1 ZINC000035289098 526736397 /nfs/dbraw/zinc/73/63/97/526736397.db2.gz ZCJJHGLCXIGVJG-VWLOTQADSA-N 0 0 436.515 4.177 40 0 IIABRN O=C(c1cccc(F)c1)N1CCN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1 ZINC000012338414 526764409 /nfs/dbraw/zinc/76/44/09/526764409.db2.gz UHTNNEUPVLSTOC-UHFFFAOYSA-N 0 0 445.523 4.369 40 0 IIABRN O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020493008 527024224 /nfs/dbraw/zinc/02/42/24/527024224.db2.gz RGXUALGNDZUHGW-UHFFFAOYSA-N 0 0 436.574 4.262 40 0 IIABRN O=C(CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12)Nc1nccs1 ZINC000035314328 527089045 /nfs/dbraw/zinc/08/90/45/527089045.db2.gz CQGQPNQNKUBHDH-UHFFFAOYSA-N 0 0 432.534 4.056 40 0 IIABRN O=C(Nc1ccccc1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012710891 527390235 /nfs/dbraw/zinc/39/02/35/527390235.db2.gz YGPJFEDSZOHDKO-UHFFFAOYSA-N 0 0 427.460 4.491 40 0 IIABRN O=C(Nc1ccccc1)c1cc(=O)n(Cc2ccccc2)/c(=N/Cc2ccccc2)s1 ZINC000015319466 527398561 /nfs/dbraw/zinc/39/85/61/527398561.db2.gz WUTQAGXRQDOQHE-QPLCGJKRSA-N 0 0 427.529 4.311 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)c1csnn1)c1ccccc1 ZINC000012636422 527514875 /nfs/dbraw/zinc/51/48/75/527514875.db2.gz KTYADHQSQFDTBS-LJQANCHMSA-N 0 0 426.567 4.437 40 0 IIABRN Nc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)s1 ZINC000012683070 527577938 /nfs/dbraw/zinc/57/79/38/527577938.db2.gz NJSRVENLYOCNJJ-UCZMFPBXSA-N 0 0 441.538 4.222 40 0 IIABRN CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1 ZINC000013504882 535722778 /nfs/dbraw/zinc/72/27/78/535722778.db2.gz RGJKCZKCBQLZAA-XMMPIXPASA-N 0 0 434.588 4.010 40 0 IIABRN COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2c(OC)cc(Br)cc23)cc1OC ZINC000009559354 536662471 /nfs/dbraw/zinc/66/24/71/536662471.db2.gz IYQAYKKXWQWDHJ-JLTOFOAXSA-N 0 0 449.301 4.245 40 0 IIABRN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000034791654 555507732 /nfs/dbraw/zinc/50/77/32/555507732.db2.gz RLLXKFMVFGDLKT-UHFFFAOYSA-N 0 0 427.533 4.070 40 0 IIABRN CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cc2ccccc2cc1O ZINC000034791391 555509003 /nfs/dbraw/zinc/50/90/03/555509003.db2.gz OZISEWFSDCCZSH-UHFFFAOYSA-N 0 0 448.504 4.283 40 0 IIABRN CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000000939638 555586678 /nfs/dbraw/zinc/58/66/78/555586678.db2.gz XOABEIWYZVGRQF-UHFFFAOYSA-N 0 0 438.789 4.318 40 0 IIABRN CCc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000001329113 555690391 /nfs/dbraw/zinc/69/03/91/555690391.db2.gz RILFNSJCDQJGIZ-UHFFFAOYSA-N 0 0 440.528 4.477 40 0 IIABRN O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccccc1Cl ZINC000001337134 555690929 /nfs/dbraw/zinc/69/09/29/555690929.db2.gz YARBBWGGSIMKGK-UHFFFAOYSA-N 0 0 430.936 4.363 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)cc1Cl ZINC000001363997 555692483 /nfs/dbraw/zinc/69/24/83/555692483.db2.gz VVSXQWDQFZJDGC-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN Cc1nc2cccc3nc(CCCC(=O)OCc4ccc(Cl)c(Cl)c4)nc(n1)-n-2-3 ZINC000001872177 555721808 /nfs/dbraw/zinc/72/18/08/555721808.db2.gz MHQFUGLZTFTGJF-UHFFFAOYSA-N 0 0 430.295 4.281 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)cc1C ZINC000035085947 555727671 /nfs/dbraw/zinc/72/76/71/555727671.db2.gz SGBKLTGAZUDPIL-UHFFFAOYSA-N 0 0 430.570 4.322 40 0 IIABRN O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408536072 555758685 /nfs/dbraw/zinc/75/86/85/555758685.db2.gz XSHZCHWAOHXOFZ-QFIPXVFZSA-N 0 0 426.582 4.247 40 0 IIABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O)N1CCCC1 ZINC000408549970 555830986 /nfs/dbraw/zinc/83/09/86/555830986.db2.gz CHMCEDNAKSLVGO-DEDYPNTBSA-N 0 0 440.496 4.063 40 0 IIABRN Cc1ccc(C(=O)NCCSCc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000408548706 555849381 /nfs/dbraw/zinc/84/93/81/555849381.db2.gz SYRWYJRJNDPGBX-UHFFFAOYSA-N 0 0 440.590 4.459 40 0 IIABRN CC(C)CCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408554438 555883623 /nfs/dbraw/zinc/88/36/23/555883623.db2.gz RZIQMQRMNYCWLV-UHFFFAOYSA-N 0 0 444.475 4.047 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1Cl ZINC000408563434 555893015 /nfs/dbraw/zinc/89/30/15/555893015.db2.gz VVELEMMHHZNNBY-UHFFFAOYSA-N 0 0 436.961 4.149 40 0 IIABRN CCCOc1c(I)cc(C(=O)Nc2cccc(F)c2)cc1OC ZINC000408556695 555894312 /nfs/dbraw/zinc/89/43/12/555894312.db2.gz LEFDJQPNSHISIJ-UHFFFAOYSA-N 0 0 429.229 4.480 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3CC)C2)cc1C ZINC000408557103 555894866 /nfs/dbraw/zinc/89/48/66/555894866.db2.gz LBDKDGNQQUUEIT-FQEVSTJZSA-N 0 0 444.597 4.304 40 0 IIABRN CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1NC(=O)c1ccccc1F ZINC000408557833 555896055 /nfs/dbraw/zinc/89/60/55/555896055.db2.gz OEDUEWYPLJJJIS-UHFFFAOYSA-N 0 0 434.533 4.478 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C ZINC000408561766 555904239 /nfs/dbraw/zinc/90/42/39/555904239.db2.gz LAMVBSABVIMPOR-UHFFFAOYSA-N 0 0 436.961 4.149 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000408562011 555904985 /nfs/dbraw/zinc/90/49/85/555904985.db2.gz WXFMDSHSYQMICN-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN COc1cc(C)c(NC(=O)Cn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)cc1C ZINC000408568141 555911323 /nfs/dbraw/zinc/91/13/23/555911323.db2.gz HTMFOUMJEXWBTH-UHFFFAOYSA-N 0 0 447.535 4.101 40 0 IIABRN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000408564658 555918115 /nfs/dbraw/zinc/91/81/15/555918115.db2.gz ZWQRKCCHWJRMOT-UHFFFAOYSA-N 0 0 440.521 4.374 40 0 IIABRN COc1ccc(Cl)cc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000408578724 555918862 /nfs/dbraw/zinc/91/88/62/555918862.db2.gz LSHWBIIPQVEOSO-UHFFFAOYSA-N 0 0 437.732 4.060 40 0 IIABRN O=C(C=Cc1ccc(-c2ccccc2)o1)NC(=S)N1CCN(Cc2ccccc2)CC1 ZINC000408576896 555927672 /nfs/dbraw/zinc/92/76/72/555927672.db2.gz YPMDKFUOVISREJ-WYMLVPIESA-N 0 0 431.561 4.179 40 0 IIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OCC ZINC000408585404 555936008 /nfs/dbraw/zinc/93/60/08/555936008.db2.gz GJKFXUUGKSPWPK-UHFFFAOYSA-N 0 0 443.319 4.217 40 0 IIABRN CCOc1cc(Br)c(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1OC ZINC000003659045 555944565 /nfs/dbraw/zinc/94/45/65/555944565.db2.gz PWQJRVKQHUVSBI-PXNMLYILSA-N 0 0 449.276 4.088 40 0 IIABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408593386 555959358 /nfs/dbraw/zinc/95/93/58/555959358.db2.gz QBWVBBMLMRSYQH-LBPRGKRZSA-N 0 0 431.341 4.086 40 0 IIABRN O=C(Nc1cccc2ccccc21)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408596891 555964409 /nfs/dbraw/zinc/96/44/09/555964409.db2.gz TYYKTZBEBGHKOI-XMMPIXPASA-N 0 0 430.529 4.368 40 0 IIABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408597275 555964715 /nfs/dbraw/zinc/96/47/15/555964715.db2.gz YIVQEICKFVLVME-GFCCVEGCSA-N 0 0 431.341 4.086 40 0 IIABRN CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408597371 555965010 /nfs/dbraw/zinc/96/50/10/555965010.db2.gz VDMIEGLRNJOSNC-UHFFFAOYSA-N 0 0 437.823 4.102 40 0 IIABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc21 ZINC000408597456 555965056 /nfs/dbraw/zinc/96/50/56/555965056.db2.gz WMCREWADKUWHGU-QGZVFWFLSA-N 0 0 435.549 4.428 40 0 IIABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000408606304 555966591 /nfs/dbraw/zinc/96/65/91/555966591.db2.gz ORMUJUDXYYFBHQ-UHFFFAOYSA-N 0 0 426.563 4.317 40 0 IIABRN CCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2cc(Cl)ccc21 ZINC000408607104 555967374 /nfs/dbraw/zinc/96/73/74/555967374.db2.gz MZKLFRZAZLGUTB-UHFFFAOYSA-N 0 0 447.322 4.105 40 0 IIABRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(=O)OC(C)C ZINC000408600988 555969547 /nfs/dbraw/zinc/96/95/47/555969547.db2.gz IBXHYYGAQDVXNQ-NDENLUEZSA-N 0 0 441.505 4.262 40 0 IIABRN CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2OC)C1=O ZINC000408601205 555969804 /nfs/dbraw/zinc/96/98/04/555969804.db2.gz JAOAAUMYKXTLHK-CPNJWEJPSA-N 0 0 426.494 4.159 40 0 IIABRN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408608776 555979010 /nfs/dbraw/zinc/97/90/10/555979010.db2.gz SFXTYNPCUOJRDV-HXUWFJFHSA-N 0 0 448.466 4.234 40 0 IIABRN CCOc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408614105 555984328 /nfs/dbraw/zinc/98/43/28/555984328.db2.gz YKPISCZIOMCLSI-QGZVFWFLSA-N 0 0 446.569 4.102 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1)C1CCCCC1 ZINC000408622511 555991368 /nfs/dbraw/zinc/99/13/68/555991368.db2.gz OWFSYTHEYMXLIF-UHFFFAOYSA-N 0 0 430.570 4.274 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C2CCCCC2)cc1 ZINC000408622607 555991713 /nfs/dbraw/zinc/99/17/13/555991713.db2.gz PNRVMBNILDXLRK-IBGZPJMESA-N 0 0 444.597 4.286 40 0 IIABRN CC(C)Oc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000408622722 555991731 /nfs/dbraw/zinc/99/17/31/555991731.db2.gz QTYVKZRTENPNMW-UHFFFAOYSA-N 0 0 431.341 4.185 40 0 IIABRN CC(C)Oc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000408623598 555992649 /nfs/dbraw/zinc/99/26/49/555992649.db2.gz YFHSMEAWYINPRJ-UHFFFAOYSA-N 0 0 431.341 4.185 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)C2CCCCC2)cc1 ZINC000408625634 555996241 /nfs/dbraw/zinc/99/62/41/555996241.db2.gz WNBJFIMYERXWIH-UHFFFAOYSA-N 0 0 444.597 4.067 40 0 IIABRN Cc1cc(C)cc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)c1 ZINC000408628574 555998923 /nfs/dbraw/zinc/99/89/23/555998923.db2.gz YYRPDWVWTIRFTM-UHFFFAOYSA-N 0 0 434.867 4.380 40 0 IIABRN O=S(=O)(c1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1)N1CCCCC1 ZINC000004774099 556011246 /nfs/dbraw/zinc/01/12/46/556011246.db2.gz DWHXZURMHPIMCI-UHFFFAOYSA-N 0 0 433.643 4.116 40 0 IIABRN Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408643642 556023980 /nfs/dbraw/zinc/02/39/80/556023980.db2.gz BBRLWEYTFOUENE-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408650593 556026863 /nfs/dbraw/zinc/02/68/63/556026863.db2.gz BSJVPLHALBWDQY-QGZVFWFLSA-N 0 0 436.895 4.336 40 0 IIABRN Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 ZINC000408651008 556027111 /nfs/dbraw/zinc/02/71/11/556027111.db2.gz CQYOJRHPUDLNRB-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000408648818 556029560 /nfs/dbraw/zinc/02/95/60/556029560.db2.gz ZXJHRERBJZSUIA-UHFFFAOYSA-N 0 0 446.931 4.374 40 0 IIABRN Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3ccccc3C2=O)cc1C ZINC000408652475 556030262 /nfs/dbraw/zinc/03/02/62/556030262.db2.gz ORPCOCHQQNTTFQ-UHFFFAOYSA-N 0 0 446.890 4.493 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)Nc1cccc(Cl)c1 ZINC000408653535 556032007 /nfs/dbraw/zinc/03/20/07/556032007.db2.gz IJMZVCWXEJBIIO-NSHDSACASA-N 0 0 441.698 4.182 40 0 IIABRN COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408663067 556042138 /nfs/dbraw/zinc/04/21/38/556042138.db2.gz KSWGHOZABYPDQT-UHFFFAOYSA-N 0 0 448.475 4.388 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c(C)c1 ZINC000408662207 556043285 /nfs/dbraw/zinc/04/32/85/556043285.db2.gz NIQYXCDGLOFIIS-ZLGUVYLKSA-N 0 0 448.519 4.025 40 0 IIABRN CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408665745 556049941 /nfs/dbraw/zinc/04/99/41/556049941.db2.gz WWLLRBUJFLENBD-UHFFFAOYSA-N 0 0 438.402 4.005 40 0 IIABRN Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000408666362 556051108 /nfs/dbraw/zinc/05/11/08/556051108.db2.gz YYPGAVOAKNKRPX-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000408670577 556058151 /nfs/dbraw/zinc/05/81/51/556058151.db2.gz SQGZCQANZZIJKS-UGXNQNIESA-N 0 0 444.409 4.094 40 0 IIABRN O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccccc1)c1ccccc1 ZINC000005664087 556062006 /nfs/dbraw/zinc/06/20/06/556062006.db2.gz QPPGTWVGCUMGHE-SANMLTNESA-N 0 0 435.483 4.161 40 0 IIABRN COc1ccc(CCNC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn32)cc1OC ZINC000408674613 556065735 /nfs/dbraw/zinc/06/57/35/556065735.db2.gz AOFQTYRVKKDOEY-UHFFFAOYSA-N 0 0 442.515 4.474 40 0 IIABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408677044 556070497 /nfs/dbraw/zinc/07/04/97/556070497.db2.gz PODJLEBHWJERAQ-UHFFFAOYSA-N 0 0 434.583 4.280 40 0 IIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000408677185 556071070 /nfs/dbraw/zinc/07/10/70/556071070.db2.gz QKOVVFUMLCZXDI-UHFFFAOYSA-N 0 0 439.515 4.146 40 0 IIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000408679556 556074138 /nfs/dbraw/zinc/07/41/38/556074138.db2.gz NUHXEPACJZFOOC-MRXNPFEDSA-N 0 0 428.485 4.341 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408681162 556075911 /nfs/dbraw/zinc/07/59/11/556075911.db2.gz HHCUPFYSMCIOFV-NIKGAXFTSA-N 0 0 428.891 4.458 40 0 IIABRN CCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)cc2)cc1 ZINC000408681935 556082009 /nfs/dbraw/zinc/08/20/09/556082009.db2.gz JTDFWKPPVILDEV-FCHUYYIVSA-N 0 0 446.503 4.351 40 0 IIABRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408682830 556082845 /nfs/dbraw/zinc/08/28/45/556082845.db2.gz JXHHZDZSIKAIKQ-OALUTQOASA-N 0 0 426.875 4.378 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)N1CCCC1 ZINC000408693180 556093558 /nfs/dbraw/zinc/09/35/58/556093558.db2.gz JXMYSHMDINISGI-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN COCCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(C)c(C)c2)n1 ZINC000408692410 556095470 /nfs/dbraw/zinc/09/54/70/556095470.db2.gz LXZHMFZKPCBWII-UHFFFAOYSA-N 0 0 443.345 4.080 40 0 IIABRN COCCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408692755 556096201 /nfs/dbraw/zinc/09/62/01/556096201.db2.gz UKPJZSJAZMHTPN-UHFFFAOYSA-N 0 0 449.736 4.117 40 0 IIABRN COc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000408699738 556100539 /nfs/dbraw/zinc/10/05/39/556100539.db2.gz YWJUEPYHQXRGCJ-UHFFFAOYSA-N 0 0 431.423 4.122 40 0 IIABRN COc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000408699163 556101575 /nfs/dbraw/zinc/10/15/75/556101575.db2.gz VFQMHIYLJJSYAX-UHFFFAOYSA-N 0 0 427.460 4.291 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCSC1CCCCC1 ZINC000408701520 556104555 /nfs/dbraw/zinc/10/45/55/556104555.db2.gz ZCYCUVXSWDLTAT-UHFFFAOYSA-N 0 0 438.659 4.211 40 0 IIABRN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1Cl ZINC000408704179 556109529 /nfs/dbraw/zinc/10/95/29/556109529.db2.gz YHOHMCSXXFKOJK-UHFFFAOYSA-N 0 0 436.961 4.474 40 0 IIABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408705506 556111650 /nfs/dbraw/zinc/11/16/50/556111650.db2.gz HGIKFCFSNAQURH-CQSZACIVSA-N 0 0 432.448 4.172 40 0 IIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000408705347 556113486 /nfs/dbraw/zinc/11/34/86/556113486.db2.gz CTOCVJLWPQMGOD-INIZCTEOSA-N 0 0 428.485 4.341 40 0 IIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc1)C2=O ZINC000408720991 556148011 /nfs/dbraw/zinc/14/80/11/556148011.db2.gz CHQHVORUCPRAFS-PGRDOPGGSA-N 0 0 446.956 4.457 40 0 IIABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1 ZINC000008430561 556170456 /nfs/dbraw/zinc/17/04/56/556170456.db2.gz UVCQCPULRMNMTR-HXUWFJFHSA-N 0 0 436.577 4.018 40 0 IIABRN O=C(OC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21)c1ccccc1 ZINC000008687317 556200000 /nfs/dbraw/zinc/20/00/00/556200000.db2.gz NUFDHWUEKBIADG-FPQOSCNCSA-N 0 0 444.524 4.089 40 0 IIABRN COc1cc(I)c(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC ZINC000408735077 556201466 /nfs/dbraw/zinc/20/14/66/556201466.db2.gz NPSKGZXPXPWENK-UHFFFAOYSA-N 0 0 442.278 4.303 40 0 IIABRN Cc1sc(NC(=O)[C@H]2CCC(=O)N2C(=O)OCc2ccccc2)nc1-c1ccccc1 ZINC000408738845 556204711 /nfs/dbraw/zinc/20/47/11/556204711.db2.gz WGHVCGONHYJUOL-GOSISDBHSA-N 0 0 435.505 4.385 40 0 IIABRN CC[C@H](C(=O)NCCSc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712133 556284688 /nfs/dbraw/zinc/28/46/88/556284688.db2.gz BJCFDKGBHCNWTN-LJQANCHMSA-N 0 0 441.018 4.102 40 0 IIABRN CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714499 556286354 /nfs/dbraw/zinc/28/63/54/556286354.db2.gz ATOOALIDOODIRQ-QFIPXVFZSA-N 0 0 449.016 4.366 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714468 556286417 /nfs/dbraw/zinc/28/64/17/556286417.db2.gz FFADQNJGODVDDY-INIZCTEOSA-N 0 0 431.341 4.185 40 0 IIABRN CCOc1ccc2nc(Cl)c([C@H]3CC(c4cccs4)=NN3S(C)(=O)=O)cc2c1 ZINC000009640459 556304351 /nfs/dbraw/zinc/30/43/51/556304351.db2.gz GJBUDIJUNQLLTJ-QGZVFWFLSA-N 0 0 435.958 4.459 40 0 IIABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000010008699 556320818 /nfs/dbraw/zinc/32/08/18/556320818.db2.gz BSZLLYLUHDPXFQ-UHFFFAOYSA-N 0 0 438.952 4.092 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000010009666 556321508 /nfs/dbraw/zinc/32/15/08/556321508.db2.gz BETSZNXUHFOVIX-KRWDZBQOSA-N 0 0 428.579 4.324 40 0 IIABRN CCN(c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)S(C)(=O)=O ZINC000010010013 556321666 /nfs/dbraw/zinc/32/16/66/556321666.db2.gz OYSRQDZEPWVIAZ-UHFFFAOYSA-N 0 0 440.521 4.282 40 0 IIABRN Cc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010110203 556325340 /nfs/dbraw/zinc/32/53/40/556325340.db2.gz VYEZIBMYCXOQEB-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2C)cc1 ZINC000010113037 556326554 /nfs/dbraw/zinc/32/65/54/556326554.db2.gz MRBOPSPTUGCHPE-UHFFFAOYSA-N 0 0 438.505 4.128 40 0 IIABRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1N ZINC000010144959 556326895 /nfs/dbraw/zinc/32/68/95/556326895.db2.gz RIDHUDJAMYNYPT-UHFFFAOYSA-N 0 0 441.866 4.370 40 0 IIABRN Cc1cccc(CSCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000010337438 556333129 /nfs/dbraw/zinc/33/31/29/556333129.db2.gz SDNFNMYCJRCELT-UHFFFAOYSA-N 0 0 448.654 4.108 40 0 IIABRN Cc1cccc2cc(CNc3ccc(N4CCN(C(=O)c5ccco5)CC4)cc3)c(=O)[nH]c12 ZINC000012088281 556401202 /nfs/dbraw/zinc/40/12/02/556401202.db2.gz HLATYOOCJYDMQM-UHFFFAOYSA-N 0 0 442.519 4.004 40 0 IIABRN CCOc1cc(CCC(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)on1 ZINC000012088136 556401249 /nfs/dbraw/zinc/40/12/49/556401249.db2.gz ADTMDNBDWHVVFI-QGZVFWFLSA-N 0 0 439.560 4.270 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)cc1 ZINC000015009464 556482971 /nfs/dbraw/zinc/48/29/71/556482971.db2.gz YLLMAMMZKMTDPD-UHFFFAOYSA-N 0 0 428.941 4.404 40 0 IIABRN CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000030751439 556503221 /nfs/dbraw/zinc/50/32/21/556503221.db2.gz WUAJMGMUKFAVIB-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000030758342 556505510 /nfs/dbraw/zinc/50/55/10/556505510.db2.gz SHFKTGIXPFFTTH-UHFFFAOYSA-N 0 0 448.894 4.092 40 0 IIABRN Cc1cc(C(=O)Nc2nc(-c3ccnn3C)cs2)c2c(n1)onc2-c1ccc(F)cc1 ZINC000036613218 556507544 /nfs/dbraw/zinc/50/75/44/556507544.db2.gz XPDACPRKBKQWFL-UHFFFAOYSA-N 0 0 434.456 4.447 40 0 IIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC3CCCCC3)c2)cc1 ZINC000015177267 556508094 /nfs/dbraw/zinc/50/80/94/556508094.db2.gz MAHPBUDDDGWQLC-UHFFFAOYSA-N 0 0 444.597 4.289 40 0 IIABRN O=C(NCCCc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000030852333 556509064 /nfs/dbraw/zinc/50/90/64/556509064.db2.gz CSBIZTVAKRFTBQ-UHFFFAOYSA-N 0 0 434.989 4.018 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000030852988 556509403 /nfs/dbraw/zinc/50/94/03/556509403.db2.gz RYIMACQTJUADFC-UHFFFAOYSA-N 0 0 444.597 4.349 40 0 IIABRN C[C@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000030868305 556512836 /nfs/dbraw/zinc/51/28/36/556512836.db2.gz YEGOCVSXMQTQQT-KRWDZBQOSA-N 0 0 442.512 4.261 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 ZINC000030872560 556514074 /nfs/dbraw/zinc/51/40/74/556514074.db2.gz XIZLFKKPBQUXCC-KRWDZBQOSA-N 0 0 438.524 4.496 40 0 IIABRN COC(=O)c1ccc(N2CCCCC2)c(NC(=O)CCc2cccc(OC)c2OC)c1 ZINC000030952768 556517912 /nfs/dbraw/zinc/51/79/12/556517912.db2.gz WEQBCUFHGMNMDG-UHFFFAOYSA-N 0 0 426.513 4.052 40 0 IIABRN Cc1ccc(C2=NN(C(=O)c3cccc(Br)c3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101097 556529108 /nfs/dbraw/zinc/52/91/08/556529108.db2.gz JRNDYYDLKCDNSN-KRWDZBQOSA-N 0 0 427.220 4.259 40 0 IIABRN COc1ccc(C(=O)Nc2ncc(I)cc2C)cc1Br ZINC000032125211 556534591 /nfs/dbraw/zinc/53/45/91/556534591.db2.gz FQSPXLPEIPXOAL-UHFFFAOYSA-N 0 0 447.070 4.018 40 0 IIABRN Cc1cc(I)cnc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000032125447 556535170 /nfs/dbraw/zinc/53/51/70/556535170.db2.gz GUWLHLITOALKLQ-UHFFFAOYSA-N 0 0 439.322 4.245 40 0 IIABRN CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)c1 ZINC000032125443 556535262 /nfs/dbraw/zinc/53/52/62/556535262.db2.gz XRIIZKYMZDXOJA-UHFFFAOYSA-N 0 0 431.583 4.032 40 0 IIABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000032127668 556536621 /nfs/dbraw/zinc/53/66/21/556536621.db2.gz LPQMNNBNAOLGAM-UHFFFAOYSA-N 0 0 429.885 4.321 40 0 IIABRN CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000015649879 556540657 /nfs/dbraw/zinc/54/06/57/556540657.db2.gz VNKHDYPHBGTJDT-UHFFFAOYSA-N 0 0 441.380 4.053 40 0 IIABRN Cc1cc(C)cc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000013646260 556543586 /nfs/dbraw/zinc/54/35/86/556543586.db2.gz ZEQZAQIKYZELEQ-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000032640419 556544850 /nfs/dbraw/zinc/54/48/50/556544850.db2.gz ALBSEBJRVBJPOL-NVXWUHKLSA-N 0 0 446.903 4.032 40 0 IIABRN Cc1cccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013648679 556545053 /nfs/dbraw/zinc/54/50/53/556545053.db2.gz WGKUNBSDKJFYQG-UHFFFAOYSA-N 0 0 442.968 4.469 40 0 IIABRN Cc1cc(Cl)ccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000013670566 556551551 /nfs/dbraw/zinc/55/15/51/556551551.db2.gz GLNZMXNAZZRBOR-UHFFFAOYSA-N 0 0 440.952 4.433 40 0 IIABRN O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013677023 556554791 /nfs/dbraw/zinc/55/47/91/556554791.db2.gz LJAGDOLVMKCCCQ-AWEZNQCLSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013677096 556554799 /nfs/dbraw/zinc/55/47/99/556554799.db2.gz HTDJGFGGUKKNPP-HNNXBMFYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1ccc(C(=O)NCCSCc2ccco2)cc1NS(=O)(=O)c1ccccc1 ZINC000013678969 556555680 /nfs/dbraw/zinc/55/56/80/556555680.db2.gz ZAYJOQAJPNRYEW-UHFFFAOYSA-N 0 0 430.551 4.052 40 0 IIABRN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013679383 556556143 /nfs/dbraw/zinc/55/61/43/556556143.db2.gz MBHNHXMUQPASSO-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN CC[C@H](C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000036067889 556592140 /nfs/dbraw/zinc/59/21/40/556592140.db2.gz SOORYLXHYXXYQO-DHIUTWEWSA-N 0 0 446.613 4.452 40 0 IIABRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000036321817 556596843 /nfs/dbraw/zinc/59/68/43/556596843.db2.gz DPEREROOORKSQI-UHFFFAOYSA-N 0 0 434.439 4.436 40 0 IIABRN O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000036419436 556598074 /nfs/dbraw/zinc/59/80/74/556598074.db2.gz TVXBNNHLJSPBRH-ZQIUZPCESA-N 0 0 433.213 4.097 40 0 IIABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 ZINC000072396767 556609642 /nfs/dbraw/zinc/60/96/42/556609642.db2.gz AHKFVQLFEINURJ-VWPQPMDRSA-N 0 0 446.595 4.354 40 0 IIABRN CC(C)c1nc2c3ccccc3nc(SCC(=O)N3N=CC[C@@H]3c3ccccc3)n2n1 ZINC000038784213 556619707 /nfs/dbraw/zinc/61/97/07/556619707.db2.gz VGTOVALSAOSXHY-LJQANCHMSA-N 0 0 430.537 4.452 40 0 IIABRN COc1ccc(SCC(=O)Nc2ccc(I)cc2)cc1OC ZINC000038773252 556619711 /nfs/dbraw/zinc/61/97/11/556619711.db2.gz RAKRDSBVDTUTTJ-UHFFFAOYSA-N 0 0 429.279 4.039 40 0 IIABRN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)cnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000038829597 556621005 /nfs/dbraw/zinc/62/10/05/556621005.db2.gz XZMPJXPLEJRCJH-UHFFFAOYSA-N 0 0 431.927 4.321 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038849598 556624074 /nfs/dbraw/zinc/62/40/74/556624074.db2.gz KQMUUKQKHMTEJX-LJQANCHMSA-N 0 0 436.961 4.112 40 0 IIABRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OC ZINC000016681883 556624126 /nfs/dbraw/zinc/62/41/26/556624126.db2.gz POVXMXRZVJWFCH-UHFFFAOYSA-N 0 0 442.562 4.397 40 0 IIABRN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4cccc(F)c4)C[C@H]2N(C)C3=O)c1 ZINC000514288834 556625056 /nfs/dbraw/zinc/62/50/56/556625056.db2.gz CAUWXPMTFRJSHV-NOZRDPDXSA-N 0 0 432.495 4.219 40 0 biogenic,in-vitro IIABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(F)cc3)c(COC)nn2c1C ZINC000039963927 556630637 /nfs/dbraw/zinc/63/06/37/556630637.db2.gz NHHNOZSPWJXLPA-UHFFFAOYSA-N 0 0 435.459 4.036 40 0 IIABRN CCN(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985907 556632388 /nfs/dbraw/zinc/63/23/88/556632388.db2.gz AITOLQKZROZFBA-HNNXBMFYSA-N 0 0 443.396 4.142 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(C)cccc2C(C)C)cc1C ZINC000039986217 556632656 /nfs/dbraw/zinc/63/26/56/556632656.db2.gz YOBHHXNKKNOXDL-UHFFFAOYSA-N 0 0 432.586 4.475 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000039986507 556633008 /nfs/dbraw/zinc/63/30/08/556633008.db2.gz RGIBMFJLJLXONP-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccc(Cl)cc2)c3=O)c1-c1ccccc1 ZINC000040387927 556636384 /nfs/dbraw/zinc/63/63/84/556636384.db2.gz KEBFZKBPFFXHQF-UHFFFAOYSA-N 0 0 443.894 4.311 40 0 IIABRN COc1ccc(CCn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC ZINC000040396572 556639033 /nfs/dbraw/zinc/63/90/33/556639033.db2.gz GYHHTTSZLMANTR-UHFFFAOYSA-N 0 0 444.466 4.110 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C ZINC000017096521 556660244 /nfs/dbraw/zinc/66/02/44/556660244.db2.gz LCDILWNSMVQTFD-UHFFFAOYSA-N 0 0 429.501 4.231 40 0 IIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000017099542 556664742 /nfs/dbraw/zinc/66/47/42/556664742.db2.gz GQQOSQGKYQIBDE-UHFFFAOYSA-N 0 0 435.505 4.083 40 0 IIABRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000013513197 556667277 /nfs/dbraw/zinc/66/72/77/556667277.db2.gz IOKLKWPWAMGOPM-HJOGWXRNSA-N 0 0 443.503 4.312 40 0 IIABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044838683 556668117 /nfs/dbraw/zinc/66/81/17/556668117.db2.gz NROLZNRTQWSOGK-UHFFFAOYSA-N 0 0 444.896 4.164 40 0 IIABRN Cc1nccn1-c1ccccc1CNC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000044840684 556668333 /nfs/dbraw/zinc/66/83/33/556668333.db2.gz DHUFWRUFESBZBG-UHFFFAOYSA-N 0 0 428.330 4.255 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044844732 556669096 /nfs/dbraw/zinc/66/90/96/556669096.db2.gz FLSRXMPQWUKMKF-GOSISDBHSA-N 0 0 428.476 4.047 40 0 IIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000044847285 556669635 /nfs/dbraw/zinc/66/96/35/556669635.db2.gz CMOCUDRCEDUWMI-NRFANRHFSA-N 0 0 434.533 4.187 40 0 IIABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(OC)cc1 ZINC000044880670 556674158 /nfs/dbraw/zinc/67/41/58/556674158.db2.gz XXSYHGNWFYTJTD-HSZRJFAPSA-N 0 0 444.597 4.449 40 0 IIABRN Cc1ccccc1[C@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044883409 556674810 /nfs/dbraw/zinc/67/48/10/556674810.db2.gz KDWRBHSQUVNMSY-HSZRJFAPSA-N 0 0 442.968 4.320 40 0 IIABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044902039 556678171 /nfs/dbraw/zinc/67/81/71/556678171.db2.gz HNZCVZRCGNBQRC-MBSDFSHPSA-N 0 0 440.540 4.194 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044902683 556678419 /nfs/dbraw/zinc/67/84/19/556678419.db2.gz DVCFLFFXKGHOEE-MRXNPFEDSA-N 0 0 429.369 4.335 40 0 IIABRN CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(C)cc1 ZINC000044935965 556682600 /nfs/dbraw/zinc/68/26/00/556682600.db2.gz MSYWWMNRHNHHOD-KNQAVFIVSA-N 0 0 444.597 4.087 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)cc1 ZINC000018076037 556682940 /nfs/dbraw/zinc/68/29/40/556682940.db2.gz LMOVSOLROICPFK-UHFFFAOYSA-N 0 0 430.551 4.052 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)cc1 ZINC000018104927 556683925 /nfs/dbraw/zinc/68/39/25/556683925.db2.gz CAEMMDFKELXARZ-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000019017800 556692719 /nfs/dbraw/zinc/69/27/19/556692719.db2.gz WAQGPIIHPDJFTR-QFIPXVFZSA-N 0 0 448.394 4.148 40 0 IIABRN COc1ccc(CN2CCc3nc(-c4ccccn4)nc(NCC(=O)C(C)(C)C)c3C2)cc1 ZINC000019080971 556695784 /nfs/dbraw/zinc/69/57/84/556695784.db2.gz ZENIVSZMFBOLSB-UHFFFAOYSA-N 0 0 445.567 4.133 40 0 IIABRN CNc1cc(C[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)c2ccccc2)nc(C2CC2)n1 ZINC000019083802 556698188 /nfs/dbraw/zinc/69/81/88/556698188.db2.gz LFFSEHODFGSCSZ-IBGZPJMESA-N 0 0 432.572 4.141 40 0 IIABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CCc3cccnc3)C1)N2 ZINC000019084018 556698297 /nfs/dbraw/zinc/69/82/97/556698297.db2.gz LWRWHSYADMDZHV-CEXWTWQISA-N 0 0 445.558 4.437 40 0 IIABRN COc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000000829937 556700327 /nfs/dbraw/zinc/70/03/27/556700327.db2.gz DCJNAPIZZBFUGN-UHFFFAOYSA-N 0 0 430.913 4.183 40 0 IIABRN O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257204687 556701624 /nfs/dbraw/zinc/70/16/24/556701624.db2.gz AVXCDOFKDJVJTD-DEOSSOPVSA-N 0 0 444.510 4.221 40 0 IIABRN O=C(CN1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213582 556702591 /nfs/dbraw/zinc/70/25/91/556702591.db2.gz CIEWXJZIELZWTK-AHKZPQOWSA-N 0 0 434.580 4.344 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213583 556702631 /nfs/dbraw/zinc/70/26/31/556702631.db2.gz CIEWXJZIELZWTK-BDYUSTAISA-N 0 0 434.580 4.344 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H](C)Oc3ccccc3F)C1)N2 ZINC000019127365 556703565 /nfs/dbraw/zinc/70/35/65/556703565.db2.gz YXRDPMBEVCFVNQ-UOVPBQLFSA-N 0 0 436.478 4.027 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)Oc3ccccc3F)CC1)N2 ZINC000019128412 556703826 /nfs/dbraw/zinc/70/38/26/556703826.db2.gz JAXRIAXSQBRAQJ-JCGIZDLHSA-N 0 0 436.478 4.027 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)c(=O)[nH]1 ZINC000019131428 556704447 /nfs/dbraw/zinc/70/44/47/556704447.db2.gz NRSXYDWYUYXDHO-CYBMUJFWSA-N 0 0 448.470 4.240 40 0 IIABRN Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCCN4CCCC4=O)CCOCC3)cc2)c1 ZINC000257332758 556705847 /nfs/dbraw/zinc/70/58/47/556705847.db2.gz XYNKBZXWUWHCRX-UHFFFAOYSA-N 0 0 434.580 4.048 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257333878 556705893 /nfs/dbraw/zinc/70/58/93/556705893.db2.gz YDMRRHFMSIGMPB-FQEVSTJZSA-N 0 0 440.503 4.148 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)c2ccccc2O3)c(C)c1 ZINC000019142029 556706797 /nfs/dbraw/zinc/70/67/97/556706797.db2.gz ICRJOUTXLQOYOK-UHFFFAOYSA-N 0 0 429.519 4.351 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019212809 556710573 /nfs/dbraw/zinc/71/05/73/556710573.db2.gz WYBHHNPKZQDJHS-MHZLTWQESA-N 0 0 427.548 4.268 40 0 IIABRN O=C(CN1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244619 556710772 /nfs/dbraw/zinc/71/07/72/556710772.db2.gz IMCMMOVBELFYBH-JTHBVZDNSA-N 0 0 448.485 4.484 40 0 IIABRN Cc1ccc([C@@H](C)C(=O)N2CCC(Cc3ccccc3-c3cccnc3)(C(N)=O)CC2)cc1 ZINC000257266520 556713504 /nfs/dbraw/zinc/71/35/04/556713504.db2.gz MDISHAHYTPXIHP-OAQYLSRUSA-N 0 0 441.575 4.497 40 0 IIABRN Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)c2)c1 ZINC000019235438 556719961 /nfs/dbraw/zinc/71/99/61/556719961.db2.gz MQZZYEPTKIVKDT-HHHXNRCGSA-N 0 0 444.579 4.459 40 0 IIABRN Cc1ccccc1-c1noc([C@H]2CN(C(=O)CCOc3ccc(Cl)cc3)CCO2)n1 ZINC000019237486 556722070 /nfs/dbraw/zinc/72/20/70/556722070.db2.gz KOTOZSVSBNSLHY-LJQANCHMSA-N 0 0 427.888 4.067 40 0 IIABRN Cc1cnc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)cn1 ZINC000019238868 556724468 /nfs/dbraw/zinc/72/44/68/556724468.db2.gz UKUCLWMFKRNNEP-CYBMUJFWSA-N 0 0 433.459 4.342 40 0 IIABRN COc1cccc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c1 ZINC000019239724 556725469 /nfs/dbraw/zinc/72/54/69/556725469.db2.gz KPJAQVVWUJKRJC-QHCPKHFHSA-N 0 0 445.567 4.218 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(OC)c2)sc1NC(=O)c1cccc(F)c1 ZINC000000871394 556725923 /nfs/dbraw/zinc/72/59/23/556725923.db2.gz LLBBKPDUDDCAOI-UHFFFAOYSA-N 0 0 442.468 4.495 40 0 IIABRN COc1cc2cc(C)c3nnc(SCC(=O)Nc4ccccc4F)n3c2cc1OC ZINC000000877354 556729853 /nfs/dbraw/zinc/72/98/53/556729853.db2.gz KUEMJLSJHYOYAJ-UHFFFAOYSA-N 0 0 426.473 4.078 40 0 IIABRN COc1ccc(-n2ncc3c2C[C@H]2CC[C@@H]3N2C(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000019290397 556730592 /nfs/dbraw/zinc/73/05/92/556730592.db2.gz ZEMYSWZVTZZFGW-DVECYGJZSA-N 0 0 426.520 4.204 40 0 IIABRN Cn1ccnc1-c1nn(CCNC(=O)Cc2ccccc2F)cc1-c1ccc(Cl)cc1 ZINC000019291562 556731506 /nfs/dbraw/zinc/73/15/06/556731506.db2.gz MCLHSZROLJTAEW-UHFFFAOYSA-N 0 0 437.906 4.102 40 0 IIABRN O=C(CN1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N2CCCC2)n1)c1cccc(Cl)c1 ZINC000019293341 556732925 /nfs/dbraw/zinc/73/29/25/556732925.db2.gz ADTJRNANYNLWGP-HXUWFJFHSA-N 0 0 436.947 4.140 40 0 IIABRN Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c12 ZINC000000889272 556739315 /nfs/dbraw/zinc/73/93/15/556739315.db2.gz RVHNQNIUSNJSNZ-XMMPIXPASA-N 0 0 440.551 4.480 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)cc2c1 ZINC000000889960 556739392 /nfs/dbraw/zinc/73/93/92/556739392.db2.gz UDYPWPIQPUXQLF-XMMPIXPASA-N 0 0 440.551 4.399 40 0 IIABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCc1ccccc1)C1CCCC1)OCCO3 ZINC000000891193 556739696 /nfs/dbraw/zinc/73/96/96/556739696.db2.gz DSJVNGBJAPNDKS-UHFFFAOYSA-N 0 0 449.576 4.119 40 0 IIABRN O=C(COc1ccc2c(c1)OCO2)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 ZINC000019346236 556742914 /nfs/dbraw/zinc/74/29/14/556742914.db2.gz WXVDVICSVLELSD-ZDUSSCGKSA-N 0 0 447.413 4.095 40 0 IIABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4F)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013804106 556743005 /nfs/dbraw/zinc/74/30/05/556743005.db2.gz ZPTSNQBCAKAQMC-VJBWXMMDSA-N 0 0 432.451 4.276 40 0 IIABRN Cc1cc(C)nc(SCc2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2C)n1 ZINC000000907058 556743977 /nfs/dbraw/zinc/74/39/77/556743977.db2.gz PBTDOBGEPLOPFT-INIZCTEOSA-N 0 0 442.614 4.250 40 0 IIABRN CCn1c(COc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C ZINC000000906733 556744019 /nfs/dbraw/zinc/74/40/19/556744019.db2.gz SFNSCBHYRKSOHJ-MRXNPFEDSA-N 0 0 426.542 4.313 40 0 IIABRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccncc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000085994178 556744069 /nfs/dbraw/zinc/74/40/69/556744069.db2.gz IOKLKWPWAMGOPM-SGNDLWITSA-N 0 0 443.503 4.312 40 0 IIABRN Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000000907830 556744319 /nfs/dbraw/zinc/74/43/19/556744319.db2.gz GHVXNHJPCJOIGJ-OAQYLSRUSA-N 0 0 435.593 4.201 40 0 IIABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1S[C@H](C)C(=O)Nc1ccccc1C ZINC000000908290 556744829 /nfs/dbraw/zinc/74/48/29/556744829.db2.gz XOZURQDQKVGGOB-MRXNPFEDSA-N 0 0 442.614 4.425 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCc2ccccc21 ZINC000000908995 556744841 /nfs/dbraw/zinc/74/48/41/556744841.db2.gz RIIHOIKJMCEMIV-QFIPXVFZSA-N 0 0 428.540 4.120 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCc2ccccc21 ZINC000000910334 556745245 /nfs/dbraw/zinc/74/52/45/556745245.db2.gz NVJCYHYJZOFFFF-HSZRJFAPSA-N 0 0 442.567 4.429 40 0 IIABRN Cc1cc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2cc1C ZINC000000914832 556746188 /nfs/dbraw/zinc/74/61/88/556746188.db2.gz CRPXWNQEPFZNET-UHFFFAOYSA-N 0 0 440.496 4.268 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)OCc2ccccc2)nnc1-c1ccccc1O ZINC000000915882 556746573 /nfs/dbraw/zinc/74/65/73/556746573.db2.gz IVHFHOKSXUFPFV-UHFFFAOYSA-N 0 0 447.516 4.484 40 0 IIABRN COc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)cc2c1 ZINC000000918038 556747961 /nfs/dbraw/zinc/74/79/61/556747961.db2.gz JUMSBZKDASZXJG-UHFFFAOYSA-N 0 0 444.528 4.199 40 0 IIABRN C=COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Br)cc(Br)c1 ZINC000001085123 556750249 /nfs/dbraw/zinc/75/02/49/556750249.db2.gz YUDLLXOCXFJGDO-UONOGXRCSA-N 0 0 429.108 4.419 40 0 IIABRN O=C(COC[C@@H]1CCCO1)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1 ZINC000019373372 556750329 /nfs/dbraw/zinc/75/03/29/556750329.db2.gz KDLFPQMWFIGDPR-MJGOQNOKSA-N 0 0 440.569 4.041 40 0 IIABRN CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCc3ccccc3)cc2c1 ZINC000000924164 556751782 /nfs/dbraw/zinc/75/17/82/556751782.db2.gz JTBIZFBFXHUOPM-QHCPKHFHSA-N 0 0 449.620 4.189 40 0 IIABRN Cc1cccc2cc(CN(CCc3ccccc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c12 ZINC000000926303 556753219 /nfs/dbraw/zinc/75/32/19/556753219.db2.gz MQQAXLLWWHIPPA-UHFFFAOYSA-N 0 0 442.567 4.183 40 0 IIABRN CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C ZINC000000928260 556754230 /nfs/dbraw/zinc/75/42/30/556754230.db2.gz RQZDYVOXENFRMC-UHFFFAOYSA-N 0 0 440.521 4.468 40 0 IIABRN CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000000928999 556754775 /nfs/dbraw/zinc/75/47/75/556754775.db2.gz WEELZIBUXGTUDC-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN C[C@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5cccc(F)c5)nnc4c23)C1 ZINC000000929605 556755480 /nfs/dbraw/zinc/75/54/80/556755480.db2.gz QDYCGTSFEGAEKQ-NSHDSACASA-N 0 0 427.530 4.334 40 0 IIABRN CC(C)Cc1cc(C(=O)N2CC[C@@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)[nH]n1 ZINC000019447385 556756624 /nfs/dbraw/zinc/75/66/24/556756624.db2.gz NFHXWDWAIBGPNX-CQSZACIVSA-N 0 0 448.493 4.423 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccccc3)cc2c1 ZINC000000931476 556756649 /nfs/dbraw/zinc/75/66/49/556756649.db2.gz MSWNRUGDJZEEON-QFIPXVFZSA-N 0 0 435.593 4.201 40 0 IIABRN Cc1cc2cc(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1Cl 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QCOIQIJPUKMWBG-UHFFFAOYSA-N 0 0 433.531 4.129 40 0 IIABRN CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)n1 ZINC000019451755 556762500 /nfs/dbraw/zinc/76/25/00/556762500.db2.gz IKZHZRXPBLMDAX-UHFFFAOYSA-N 0 0 433.560 4.225 40 0 IIABRN CC(C)c1cc(C(=O)N2CCC[C@](Cc3cccc(-c4cccc(F)c4)c3)(C(N)=O)C2)[nH]n1 ZINC000019451777 556762720 /nfs/dbraw/zinc/76/27/20/556762720.db2.gz JCSTUXJCQBCPCC-AREMUKBSSA-N 0 0 448.542 4.290 40 0 IIABRN CC(C)c1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccncc3)C2)cs1 ZINC000019452198 556763130 /nfs/dbraw/zinc/76/31/30/556763130.db2.gz FNCQWVOOOPCYEU-HXUWFJFHSA-N 0 0 433.577 4.364 40 0 IIABRN CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cnn(C(C)C)c2)nc(C2CC2)n1 ZINC000019454952 556765153 /nfs/dbraw/zinc/76/51/53/556765153.db2.gz KPTFABAQDCTLCO-OAQYLSRUSA-N 0 0 443.555 4.368 40 0 IIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000019496071 556768630 /nfs/dbraw/zinc/76/86/30/556768630.db2.gz PZMOLIPGAWAHSF-QZTJIDSGSA-N 0 0 445.567 4.381 40 0 IIABRN Cc1cccc2cc(CN(Cc3cccnc3)C(=S)NCc3ccccc3)c(=O)[nH]c12 ZINC000001224284 556769404 /nfs/dbraw/zinc/76/94/04/556769404.db2.gz GLGZLNLEXUQOSB-UHFFFAOYSA-N 0 0 428.561 4.308 40 0 IIABRN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NC2CCCCC2)cc1 ZINC000001225038 556769952 /nfs/dbraw/zinc/76/99/52/556769952.db2.gz GLUYVRLLMHQVCM-UHFFFAOYSA-N 0 0 437.565 4.325 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)NCc3ccccc3)cc2c1 ZINC000001327654 556773184 /nfs/dbraw/zinc/77/31/84/556773184.db2.gz FGUXWRIASOTPGO-UHFFFAOYSA-N 0 0 431.492 4.432 40 0 IIABRN Cc1ccc(Cl)cc1N1CCN([C@@H](c2cccs2)c2nnnn2C(C)(C)C)CC1 ZINC000001328314 556773729 /nfs/dbraw/zinc/77/37/29/556773729.db2.gz JWVPBYWKXGKHNX-IBGZPJMESA-N 0 0 431.009 4.363 40 0 IIABRN CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019503547 556774944 /nfs/dbraw/zinc/77/49/44/556774944.db2.gz QFJYMKMJLNAWPX-MHZLTWQESA-N 0 0 442.563 4.135 40 0 IIABRN CCOc1ccccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 ZINC000019520146 556776022 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CCn1cc(CCC(=O)N2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)c(C)n1 ZINC000019524473 556781826 /nfs/dbraw/zinc/78/18/26/556781826.db2.gz YMQSNNOEJIFOFZ-UHFFFAOYSA-N 0 0 449.477 4.414 40 0 IIABRN CCCc1cc(C(=O)N2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccc(F)c3)C2)no1 ZINC000019525350 556782872 /nfs/dbraw/zinc/78/28/72/556782872.db2.gz GSQDUTZNYZAVEV-FQEVSTJZSA-N 0 0 449.526 4.206 40 0 IIABRN CCCc1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccc(C)cc3)C2)no1 ZINC000019525355 556782885 /nfs/dbraw/zinc/78/28/85/556782885.db2.gz XBAFECYQPQPCPO-NRFANRHFSA-N 0 0 431.536 4.033 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000001357219 556783029 /nfs/dbraw/zinc/78/30/29/556783029.db2.gz JMDGGXGFDGRBLQ-OAQYLSRUSA-N 0 0 438.528 4.433 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1C ZINC000001357553 556783438 /nfs/dbraw/zinc/78/34/38/556783438.db2.gz UVDZGPKZOZHSTO-JOCHJYFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1cc(C)cc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)c1 ZINC000001357567 556783470 /nfs/dbraw/zinc/78/34/70/556783470.db2.gz HDXDYQGMAGENMQ-QFIPXVFZSA-N 0 0 449.580 4.387 40 0 IIABRN CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccco2)cc1 ZINC000001357653 556783539 /nfs/dbraw/zinc/78/35/39/556783539.db2.gz RNVKNILTYDOLGD-JOCHJYFZSA-N 0 0 446.532 4.398 40 0 IIABRN CCN(CC)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)C1 ZINC000019526190 556784227 /nfs/dbraw/zinc/78/42/27/556784227.db2.gz MJROEVDSFSGFPW-RUZDIDTESA-N 0 0 448.592 4.149 40 0 IIABRN CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000001373145 556785658 /nfs/dbraw/zinc/78/56/58/556785658.db2.gz RJRFDRTWQBNEQF-UHFFFAOYSA-N 0 0 446.555 4.053 40 0 IIABRN CCN1CCN(C(=O)CC[C@@H]2CCCO2)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O ZINC000019527510 556786079 /nfs/dbraw/zinc/78/60/79/556786079.db2.gz TWHPCFUNUJHAMO-DQEYMECFSA-N 0 0 448.607 4.471 40 0 IIABRN CCN1CCN(C(=O)CC[C@@H]2CCCO2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000019527598 556786239 /nfs/dbraw/zinc/78/62/39/556786239.db2.gz QPRPPVBQRQCYPZ-DQEYMECFSA-N 0 0 448.607 4.471 40 0 IIABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000019528468 556787861 /nfs/dbraw/zinc/78/78/61/556787861.db2.gz DPZPUKBYYKHDTL-SQJMNOBHSA-N 0 0 440.609 4.272 40 0 IIABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C[C@H]2CCCO2)cc1 ZINC000001361127 556787856 /nfs/dbraw/zinc/78/78/56/556787856.db2.gz LWVXOXVSSBMBGX-GOSISDBHSA-N 0 0 426.542 4.319 40 0 IIABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000019528453 556787893 /nfs/dbraw/zinc/78/78/93/556787893.db2.gz JUUDVJFTXPZAAB-KCWPFWIISA-N 0 0 431.580 4.392 40 0 IIABRN CCCn1c(SCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)nnc1-c1cccnc1 ZINC000001362277 556788093 /nfs/dbraw/zinc/78/80/93/556788093.db2.gz BANJJWYZTSYKOZ-HNNXBMFYSA-N 0 0 425.533 4.349 40 0 IIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1OC ZINC000001363090 556788823 /nfs/dbraw/zinc/78/88/23/556788823.db2.gz IKCGLIPBMZRGRE-HNNXBMFYSA-N 0 0 427.888 4.427 40 0 IIABRN O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000001363396 556789213 /nfs/dbraw/zinc/78/92/13/556789213.db2.gz MGCPKBQIKXIMBW-KRWDZBQOSA-N 0 0 432.973 4.258 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnc(C)nc2C)C1 ZINC000019529089 556790246 /nfs/dbraw/zinc/79/02/46/556790246.db2.gz OUQBYSWLGFPNCK-VWLOTQADSA-N 0 0 448.592 4.033 40 0 IIABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2ccn(CC)n2)C1 ZINC000019529077 556790319 /nfs/dbraw/zinc/79/03/19/556790319.db2.gz UDKQNFTVMBURLQ-MHZLTWQESA-N 0 0 444.579 4.090 40 0 IIABRN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 ZINC000001366222 556790667 /nfs/dbraw/zinc/79/06/67/556790667.db2.gz MFNCOUFXLNYHRP-FZMZJTMJSA-N 0 0 448.390 4.066 40 0 IIABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2ccccc2)CCO1 ZINC000019529266 556790720 /nfs/dbraw/zinc/79/07/20/556790720.db2.gz KERKUUKPBNTKKD-HHHXNRCGSA-N 0 0 446.522 4.083 40 0 IIABRN Cc1ccc2c(c1)cc(CN(Cc1ccc(Cl)cc1)C(=O)c1cccnc1)c1nnnn12 ZINC000001367161 556791613 /nfs/dbraw/zinc/79/16/13/556791613.db2.gz JOLPWXFHMDSCTK-UHFFFAOYSA-N 0 0 442.910 4.477 40 0 IIABRN Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)c3nnnn3c2cc1C ZINC000001367457 556791747 /nfs/dbraw/zinc/79/17/47/556791747.db2.gz KRXBYKPSFONXJN-UHFFFAOYSA-N 0 0 429.455 4.469 40 0 IIABRN CCc1cccc2c(SCC(=O)NC[C@@H]3CCCO3)nc(-c3ccc(F)cc3)nc12 ZINC000001367378 556791819 /nfs/dbraw/zinc/79/18/19/556791819.db2.gz LRVWEPRKSWEEGA-SFHVURJKSA-N 0 0 425.529 4.386 40 0 IIABRN CC(C)(C)[C@@H]1CCc2c(sc3[nH]c(SCC(=O)NCc4ccco4)nc(=O)c23)C1 ZINC000001368192 556792435 /nfs/dbraw/zinc/79/24/35/556792435.db2.gz ORAJGEZKQQVJTQ-GFCCVEGCSA-N 0 0 431.583 4.137 40 0 IIABRN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3n3nnnc23)C2CCCC2)cc1OC ZINC000001376730 556793969 /nfs/dbraw/zinc/79/39/69/556793969.db2.gz NWMWDJRXSNSZHA-UHFFFAOYSA-N 0 0 445.523 4.188 40 0 IIABRN Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000001378445 556795610 /nfs/dbraw/zinc/79/56/10/556795610.db2.gz XWZNPDKQRBARAV-HXUWFJFHSA-N 0 0 440.594 4.351 40 0 IIABRN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 ZINC000001381681 556797129 /nfs/dbraw/zinc/79/71/29/556797129.db2.gz JSVSDEGUTBDEPP-UHFFFAOYSA-N 0 0 432.958 4.494 40 0 IIABRN COc1ccc(CC(=O)N2CCC(c3nnc(-c4nccc5ccccc54)o3)CC2)cc1 ZINC000019554122 556797811 /nfs/dbraw/zinc/79/78/11/556797811.db2.gz KESWSKHASMGQBL-UHFFFAOYSA-N 0 0 428.492 4.242 40 0 IIABRN COc1ccc(NC(=O)c2cc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)no2)cc1OC ZINC000019561320 556802825 /nfs/dbraw/zinc/80/28/25/556802825.db2.gz LKNVIMFMWXQGGT-QGZVFWFLSA-N 0 0 441.528 4.230 40 0 IIABRN COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NC[C@@H]2CCCOC2)CCOCC1 ZINC000019561797 556803053 /nfs/dbraw/zinc/80/30/53/556803053.db2.gz OOPHPQQPOCIMGU-IBGZPJMESA-N 0 0 441.543 4.383 40 0 IIABRN Cc1ncsc1C(=O)N[C@H](Cc1ccccc1)c1cc(N(C)C)nc(-c2cccnc2)n1 ZINC000019562233 556803835 /nfs/dbraw/zinc/80/38/35/556803835.db2.gz IVTFEZTZTBVTLA-LJQANCHMSA-N 0 0 444.564 4.083 40 0 IIABRN Cc1noc2nc([C@H]3CCCN(C(=O)CCCn4ccnc4C)C3)cc(C(F)(F)F)c12 ZINC000019563858 556804531 /nfs/dbraw/zinc/80/45/31/556804531.db2.gz QTVABLQCQLYIMZ-HNNXBMFYSA-N 0 0 435.450 4.241 40 0 IIABRN COc1ccccc1C(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019568661 556808478 /nfs/dbraw/zinc/80/84/78/556808478.db2.gz ARTCJUITXKBWHN-VWLOTQADSA-N 0 0 434.561 4.374 40 0 IIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019568964 556809119 /nfs/dbraw/zinc/80/91/19/556809119.db2.gz LZRKSMXZLSRQKK-LBPRGKRZSA-N 0 0 443.422 4.257 40 0 IIABRN COc1ccccc1OCC(=O)N1CCC(c2noc3nc(C)cc(C(F)(F)F)c32)CC1 ZINC000019569039 556809173 /nfs/dbraw/zinc/80/91/73/556809173.db2.gz CCOBCOOSNWEIFJ-UHFFFAOYSA-N 0 0 449.429 4.344 40 0 IIABRN COc1ccccc1CC(=O)N1CCC[C@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 ZINC000019569542 556809666 /nfs/dbraw/zinc/80/96/66/556809666.db2.gz PCJTWAOFCADICX-MUUNZHRXSA-N 0 0 442.559 4.242 40 0 IIABRN COc1ccccc1CNC(=O)c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)no1 ZINC000019570813 556811136 /nfs/dbraw/zinc/81/11/36/556811136.db2.gz DQCZCHHERKMGDK-UHFFFAOYSA-N 0 0 441.478 4.271 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1C ZINC000019571165 556811317 /nfs/dbraw/zinc/81/13/17/556811317.db2.gz JMLFJYVCEPUOMT-FQEVSTJZSA-N 0 0 449.555 4.119 40 0 IIABRN COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CCN(C(=O)c3cccc(F)c3)C2)cc1 ZINC000019571627 556811853 /nfs/dbraw/zinc/81/18/53/556811853.db2.gz PQURLYRRUPBOBJ-SANMLTNESA-N 0 0 432.495 4.062 40 0 IIABRN COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)CCC2CCCC2)CCNC1=O ZINC000019571759 556812050 /nfs/dbraw/zinc/81/20/50/556812050.db2.gz AUPJHGLEUOICET-QFIPXVFZSA-N 0 0 434.580 4.450 40 0 IIABRN Cc1cc(C)n(C[C@H](C)C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)n1 ZINC000019573547 556813847 /nfs/dbraw/zinc/81/38/47/556813847.db2.gz VSXNYTHNEWCVFG-LBPRGKRZSA-N 0 0 431.487 4.324 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2ccccc2)C1 ZINC000019579136 556816366 /nfs/dbraw/zinc/81/63/66/556816366.db2.gz UAKCFISBPPQHKL-MUUNZHRXSA-N 0 0 441.575 4.231 40 0 IIABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2ccccn2)C1 ZINC000019579163 556816635 /nfs/dbraw/zinc/81/66/35/556816635.db2.gz IVUUJKYEQRUFMJ-SANMLTNESA-N 0 0 447.604 4.292 40 0 IIABRN COc1ccccc1CC(=O)N1CCN(C)C(=O)[C@H](Cc2ccccc2-c2ccccc2)C1 ZINC000019589606 556824345 /nfs/dbraw/zinc/82/43/45/556824345.db2.gz KOVGWWMSLRPXJU-XMMPIXPASA-N 0 0 442.559 4.064 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000019591072 556825598 /nfs/dbraw/zinc/82/55/98/556825598.db2.gz QUPOQBDUXBWASW-SQJMNOBHSA-N 0 0 440.609 4.272 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1 ZINC000019591211 556826161 /nfs/dbraw/zinc/82/61/61/556826161.db2.gz RJWXPQXSGHEROI-SANMLTNESA-N 0 0 431.511 4.099 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2OC)C1 ZINC000019591601 556827258 /nfs/dbraw/zinc/82/72/58/556827258.db2.gz GIQGPDIOFHJOIS-VWLOTQADSA-N 0 0 434.561 4.245 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000006075152 556828088 /nfs/dbraw/zinc/82/80/88/556828088.db2.gz ZWLGLZGPNBVVBO-QFIPXVFZSA-N 0 0 447.564 4.182 40 0 IIABRN CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccccc2)nc(C2CC2)n1 ZINC000019592129 556828164 /nfs/dbraw/zinc/82/81/64/556828164.db2.gz ZPWCGULUFDQMLN-JOCHJYFZSA-N 0 0 447.564 4.139 40 0 IIABRN CCOc1cc(NC(=S)NCCCOC)c(OCC)cc1NC(=O)c1ccccc1 ZINC000006089685 556828649 /nfs/dbraw/zinc/82/86/49/556828649.db2.gz AOOZNJUKMZYNHW-UHFFFAOYSA-N 0 0 431.558 4.059 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)cc2c1 ZINC000006301210 556832223 /nfs/dbraw/zinc/83/22/23/556832223.db2.gz PDNDEHNUZSUNSV-BXKMTCNYSA-N 0 0 442.567 4.001 40 0 IIABRN Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000006321400 556832839 /nfs/dbraw/zinc/83/28/39/556832839.db2.gz YTVDOPNTVGGRIU-XMMPIXPASA-N 0 0 442.567 4.001 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)cc12 ZINC000006405799 556834236 /nfs/dbraw/zinc/83/42/36/556834236.db2.gz 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CCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013505428 557339820 /nfs/dbraw/zinc/33/98/20/557339820.db2.gz VKTUXLVKTHBCTF-OAQYLSRUSA-N 0 0 447.612 4.189 40 0 IIABRN C[C@H](Oc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4)C(=O)Nc1ccccc1 ZINC000013564841 557341581 /nfs/dbraw/zinc/34/15/81/557341581.db2.gz VNMKEWUTXRPZIY-ZDUSSCGKSA-N 0 0 434.521 4.497 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl ZINC000222476585 557342111 /nfs/dbraw/zinc/34/21/11/557342111.db2.gz DTIHJCLUYCMSAP-DYESRHJHSA-N 0 0 446.975 4.450 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000222479590 557342394 /nfs/dbraw/zinc/34/23/94/557342394.db2.gz YTIHBMMAVCVNGY-NFBKMPQASA-N 0 0 440.584 4.413 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 ZINC000222480027 557342403 /nfs/dbraw/zinc/34/24/03/557342403.db2.gz WTNJEFHXPQQHIN-NTKDMRAZSA-N 0 0 440.584 4.359 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F ZINC000222492090 557343433 /nfs/dbraw/zinc/34/34/33/557343433.db2.gz UXFPPYGHIVCVTF-QHCPKHFHSA-N 0 0 438.930 4.408 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222493944 557343681 /nfs/dbraw/zinc/34/36/81/557343681.db2.gz AHFMVAVCGIVIBN-HNNXBMFYSA-N 0 0 449.331 4.324 40 0 IIABRN CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222510135 557346466 /nfs/dbraw/zinc/34/64/66/557346466.db2.gz PXENIGTVIGDJKN-FQEVSTJZSA-N 0 0 440.968 4.081 40 0 IIABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC)cc1OCC ZINC000222527048 557347593 /nfs/dbraw/zinc/34/75/93/557347593.db2.gz DOIDVKWQRZJQKJ-KRWDZBQOSA-N 0 0 446.975 4.233 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222538256 557348622 /nfs/dbraw/zinc/34/86/22/557348622.db2.gz FXGUXVFAMHZWGX-AWEZNQCLSA-N 0 0 425.381 4.390 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl ZINC000222539479 557348874 /nfs/dbraw/zinc/34/88/74/557348874.db2.gz WQJWTROWMXMZPN-HSZRJFAPSA-N 0 0 438.930 4.408 40 0 IIABRN C[C@@H](Sc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000013579791 557348955 /nfs/dbraw/zinc/34/89/55/557348955.db2.gz AKIVDBMJSGATEX-CZAAIQMYSA-N 0 0 432.545 4.212 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013584729 557349545 /nfs/dbraw/zinc/34/95/45/557349545.db2.gz XGEKPCBYGFVVIQ-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 ZINC000222554883 557351061 /nfs/dbraw/zinc/35/10/61/557351061.db2.gz KPNQQCQCULVLNH-VGSWGCGISA-N 0 0 446.975 4.450 40 0 IIABRN CCOCCCNC(=S)Nc1cc(OCC)c(NC(=O)c2ccco2)cc1OCC ZINC000013556471 557351459 /nfs/dbraw/zinc/35/14/59/557351459.db2.gz RONXNLWCYNOGRS-UHFFFAOYSA-N 0 0 435.546 4.042 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000222561505 557352225 /nfs/dbraw/zinc/35/22/25/557352225.db2.gz ACGMELOXGPEOPU-GCJKJVERSA-N 0 0 430.976 4.483 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 ZINC000222575638 557354747 /nfs/dbraw/zinc/35/47/47/557354747.db2.gz AHYDBGIBMUMTQR-JOCHJYFZSA-N 0 0 444.597 4.451 40 0 IIABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCc4ccccc43)c2)CC1 ZINC000013596289 557356620 /nfs/dbraw/zinc/35/66/20/557356620.db2.gz CQNQNTONUAQOTA-UHFFFAOYSA-N 0 0 432.973 4.354 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl ZINC000222590541 557357323 /nfs/dbraw/zinc/35/73/23/557357323.db2.gz WGHDZQXPLKKVIZ-QHCPKHFHSA-N 0 0 438.930 4.408 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222600239 557359212 /nfs/dbraw/zinc/35/92/12/557359212.db2.gz CMZHWTABRGAOIH-FQEVSTJZSA-N 0 0 444.959 4.333 40 0 IIABRN COc1ccc(N(CCCC(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000222606785 557360634 /nfs/dbraw/zinc/36/06/34/557360634.db2.gz FJWVMXDWJVCEIR-QFIPXVFZSA-N 0 0 432.586 4.145 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000222612873 557361790 /nfs/dbraw/zinc/36/17/90/557361790.db2.gz UTUGNFNEAIOKKN-UHFFFAOYSA-N 0 0 444.475 4.289 40 0 IIABRN C[C@@H](NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000222623891 557363980 /nfs/dbraw/zinc/36/39/80/557363980.db2.gz PFSHSSARBKBUHF-OAHLLOKOSA-N 0 0 428.476 4.129 40 0 IIABRN C[C@H](NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000222623952 557364036 /nfs/dbraw/zinc/36/40/36/557364036.db2.gz PFSHSSARBKBUHF-HNNXBMFYSA-N 0 0 428.476 4.129 40 0 IIABRN CC(=O)c1cccc(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000222625877 557364737 /nfs/dbraw/zinc/36/47/37/557364737.db2.gz RJNKLEOQAWNSOK-UHFFFAOYSA-N 0 0 442.459 4.093 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1 ZINC000222635829 557366473 /nfs/dbraw/zinc/36/64/73/557366473.db2.gz UWQSQWPISGMXPB-CQSZACIVSA-N 0 0 425.381 4.390 40 0 IIABRN CCc1ccc(N(CCCC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000222646522 557368017 /nfs/dbraw/zinc/36/80/17/557368017.db2.gz KLUKIZPQSANXKM-UHFFFAOYSA-N 0 0 437.005 4.198 40 0 IIABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000113964257 557382958 /nfs/dbraw/zinc/38/29/58/557382958.db2.gz CLZMPPANFTVGJQ-UHFFFAOYSA-N 0 0 440.540 4.339 40 0 IIABRN CCOc1ccc(NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000113963896 557382964 /nfs/dbraw/zinc/38/29/64/557382964.db2.gz ZQTLVTMVUKHHAQ-UHFFFAOYSA-N 0 0 442.512 4.443 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)c(C)c2)cc1 ZINC000222764657 557384174 /nfs/dbraw/zinc/38/41/74/557384174.db2.gz AQFWJAPJIKCTHH-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN O=C(NCc1ccc2ccccc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000222788417 557387087 /nfs/dbraw/zinc/38/70/87/557387087.db2.gz YHNUTQFVTZJGLJ-UHFFFAOYSA-N 0 0 442.968 4.210 40 0 IIABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072354710 557387405 /nfs/dbraw/zinc/38/74/05/557387405.db2.gz HJCSWQSIUBHKDZ-LJQANCHMSA-N 0 0 442.441 4.487 40 0 IIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000222830735 557391417 /nfs/dbraw/zinc/39/14/17/557391417.db2.gz PIDVXVHHIITYMI-QGZVFWFLSA-N 0 0 446.975 4.233 40 0 IIABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3OC)n2C)cc1 ZINC000013871310 557392305 /nfs/dbraw/zinc/39/23/05/557392305.db2.gz BIKWUCGSTDSYQL-HNNXBMFYSA-N 0 0 426.542 4.257 40 0 IIABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(OC)c3)n2C)cc1 ZINC000013871312 557392377 /nfs/dbraw/zinc/39/23/77/557392377.db2.gz RUIFHWYCSISEDL-HNNXBMFYSA-N 0 0 426.542 4.257 40 0 IIABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1OC ZINC000013879586 557392909 /nfs/dbraw/zinc/39/29/09/557392909.db2.gz BWWZQJIMHRNQLT-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222886143 557398253 /nfs/dbraw/zinc/39/82/53/557398253.db2.gz HRBVEAUFRGMCHE-AREMUKBSSA-N 0 0 444.575 4.241 40 0 IIABRN Cc1cccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 ZINC000222894128 557399696 /nfs/dbraw/zinc/39/96/96/557399696.db2.gz DQOGJBWAUCGNJJ-UHFFFAOYSA-N 0 0 448.588 4.386 40 0 IIABRN Cc1c(Cl)cccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222920251 557402862 /nfs/dbraw/zinc/40/28/62/557402862.db2.gz IIQZCMDWYQKOOT-INIZCTEOSA-N 0 0 434.989 4.171 40 0 IIABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222925381 557403875 /nfs/dbraw/zinc/40/38/75/557403875.db2.gz IMGWZPDJXMAIJX-KRWDZBQOSA-N 0 0 439.918 4.150 40 0 IIABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 ZINC000222945623 557406966 /nfs/dbraw/zinc/40/69/66/557406966.db2.gz QLWARLXHALIAIR-VXKWHMMOSA-N 0 0 434.565 4.287 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222979659 557410706 /nfs/dbraw/zinc/41/07/06/557410706.db2.gz KNSOEDXXSBRKQK-HXUWFJFHSA-N 0 0 426.557 4.188 40 0 IIABRN CC(C)c1nc(Cc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)no1 ZINC000222987476 557412455 /nfs/dbraw/zinc/41/24/55/557412455.db2.gz GLMPKUMVLGJYCM-UHFFFAOYSA-N 0 0 436.331 4.347 40 0 IIABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCC(C)C)cc1 ZINC000222999048 557413923 /nfs/dbraw/zinc/41/39/23/557413923.db2.gz MJVHYEQTLYPXKM-SFHVURJKSA-N 0 0 430.976 4.471 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223034684 557418607 /nfs/dbraw/zinc/41/86/07/557418607.db2.gz NCLWGRXDLJSKLZ-MRXNPFEDSA-N 0 0 449.414 4.403 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1 ZINC000223035000 557418873 /nfs/dbraw/zinc/41/88/73/557418873.db2.gz GNSWQVYZJAZLCX-MRXNPFEDSA-N 0 0 449.414 4.236 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1 ZINC000223035064 557418883 /nfs/dbraw/zinc/41/88/83/557418883.db2.gz GNSWQVYZJAZLCX-INIZCTEOSA-N 0 0 449.414 4.236 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000014022771 557419530 /nfs/dbraw/zinc/41/95/30/557419530.db2.gz WJTOPNYGVYRZQF-CQSZACIVSA-N 0 0 427.353 4.341 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)cc1 ZINC000014022826 557419632 /nfs/dbraw/zinc/41/96/32/557419632.db2.gz BZNLQGHHPGVITR-CYBMUJFWSA-N 0 0 443.352 4.041 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223041238 557419967 /nfs/dbraw/zinc/41/99/67/557419967.db2.gz CPQBFXNDASIFLR-JOCHJYFZSA-N 0 0 428.598 4.216 40 0 IIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000014123069 557420919 /nfs/dbraw/zinc/42/09/19/557420919.db2.gz CHSKJXWWYYZDPS-UHFFFAOYSA-N 0 0 425.539 4.043 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223064361 557424556 /nfs/dbraw/zinc/42/45/56/557424556.db2.gz YNFYYAANNGPZEG-KRWDZBQOSA-N 0 0 431.374 4.244 40 0 IIABRN COc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223080224 557427768 /nfs/dbraw/zinc/42/77/68/557427768.db2.gz YDETXXVPGGDHQB-IBGZPJMESA-N 0 0 426.557 4.023 40 0 IIABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)s2)cc1 ZINC000223108110 557432571 /nfs/dbraw/zinc/43/25/71/557432571.db2.gz KSTAIZKZDWFCQY-LLVKDONJSA-N 0 0 434.315 4.382 40 0 IIABRN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1C ZINC000014291171 557434297 /nfs/dbraw/zinc/43/42/97/557434297.db2.gz QGCKEGYVMRRATA-UHFFFAOYSA-N 0 0 443.975 4.279 40 0 IIABRN Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000014291183 557434337 /nfs/dbraw/zinc/43/43/37/557434337.db2.gz XQEVMTXTEHMQNZ-UHFFFAOYSA-N 0 0 443.975 4.279 40 0 IIABRN COc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2OC)cc1Cl ZINC000014291340 557434453 /nfs/dbraw/zinc/43/44/53/557434453.db2.gz SLIGLUZBOMYXQN-UHFFFAOYSA-N 0 0 429.889 4.084 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223124207 557435065 /nfs/dbraw/zinc/43/50/65/557435065.db2.gz SZIQFGFQKWPPID-SJORKVTESA-N 0 0 434.939 4.498 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1C ZINC000223125381 557435285 /nfs/dbraw/zinc/43/52/85/557435285.db2.gz CHYJZIOPBXQGGG-AZUAARDMSA-N 0 0 428.548 4.462 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223127799 557435669 /nfs/dbraw/zinc/43/56/69/557435669.db2.gz UGPQJACQFFKSHZ-RUZDIDTESA-N 0 0 430.548 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O=C(NCc1cccc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000226072675 557804112 /nfs/dbraw/zinc/80/41/12/557804112.db2.gz CNBCIFDZCJGZIZ-UHFFFAOYSA-N 0 0 442.968 4.210 40 0 IIABRN CN(C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(F)cc1 ZINC000226075513 557804261 /nfs/dbraw/zinc/80/42/61/557804261.db2.gz QETYUITZEAYTLF-UHFFFAOYSA-N 0 0 445.343 4.196 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccc(F)cc2)cc1 ZINC000033661614 557809633 /nfs/dbraw/zinc/80/96/33/557809633.db2.gz FWSWNKXZYMDHQN-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C(F)(F)F)=C[C@@]1(O)C(F)(F)F ZINC000059192186 557818036 /nfs/dbraw/zinc/81/80/36/557818036.db2.gz RVUONAGUZWYMTJ-PWCHPLFNSA-N 0 0 439.139 4.162 40 0 IIABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2nsnc2c1 ZINC000059294593 557820011 /nfs/dbraw/zinc/82/00/11/557820011.db2.gz GMXAEVNTPWMKJG-UHFFFAOYSA-N 0 0 430.518 4.361 40 0 IIABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 ZINC000059379389 557822358 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AXZLXOWADFESCH-DNVCBOLYSA-N 0 0 438.977 4.079 40 0 IIABRN Cc1cc(C)c2c(c1)N(CC(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)c1ccccc1-2 ZINC000260841723 557861192 /nfs/dbraw/zinc/86/11/92/557861192.db2.gz CAZRRDSTSOAUNU-IBGZPJMESA-N 0 0 434.561 4.399 40 0 IIABRN C[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260842900 557861338 /nfs/dbraw/zinc/86/13/38/557861338.db2.gz YUBCDZBULVZFJY-CVEARBPZSA-N 0 0 434.989 4.251 40 0 IIABRN C[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260842902 557861364 /nfs/dbraw/zinc/86/13/64/557861364.db2.gz YUBCDZBULVZFJY-HOTGVXAUSA-N 0 0 434.989 4.251 40 0 IIABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc3c(c1)oc1ccccc13)O2 ZINC000260846285 557861965 /nfs/dbraw/zinc/86/19/65/557861965.db2.gz KFMZBQWPRZIHNG-JOCHJYFZSA-N 0 0 436.489 4.060 40 0 IIABRN CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015674172 560230925 /nfs/dbraw/zinc/23/09/25/560230925.db2.gz IQWZHNBXRDDATB-MOPGFXCFSA-N 0 0 446.429 4.022 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Cc1nc2cc([C@H]3CCCN3Cc3ccc(F)cc3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257205883 568667992 /nfs/dbraw/zinc/66/79/92/568667992.db2.gz BAYMQWHXYVLVSX-XMMPIXPASA-N 0 0 449.574 4.377 40 0 IIABRN CC(=O)N1CCO[C@@H](c2c3cccnc3sc2C(=O)N2CCC3(C2)CCCCC3)C1 ZINC000257216041 568672685 /nfs/dbraw/zinc/67/26/85/568672685.db2.gz CSVWHFSTWHAVQA-GOSISDBHSA-N 0 0 427.570 4.013 40 0 IIABRN Cc1ccc(C(C)(C)C(=O)N2CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cc1 ZINC000257218496 568673439 /nfs/dbraw/zinc/67/34/39/568673439.db2.gz DDIXXHRITFZUMO-DEOSSOPVSA-N 0 0 443.547 4.034 40 0 IIABRN O=C(COc1ncnc2ccccc21)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257226177 568676908 /nfs/dbraw/zinc/67/69/08/568676908.db2.gz FJMACLRINGFOMH-SFHVURJKSA-N 0 0 446.482 4.133 40 0 IIABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CN(C(=O)CCn3ncc4c3CCCC4)CCO2)n1 ZINC000257227017 568677661 /nfs/dbraw/zinc/67/76/61/568677661.db2.gz FNGVJPNKVIJBKB-SANMLTNESA-N 0 0 444.579 4.046 40 0 IIABRN CC(C)(Nc1ccccc1F)C(=O)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257229970 568678679 /nfs/dbraw/zinc/67/86/79/568678679.db2.gz GAEJVVNUOARZDI-UHFFFAOYSA-N 0 0 434.519 4.351 40 0 IIABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000257230522 568679050 /nfs/dbraw/zinc/67/90/50/568679050.db2.gz GCSKQIMZRHKPTJ-VWLOTQADSA-N 0 0 436.483 4.263 40 0 IIABRN Cc1cc(Nc2nncs2)cc([C@H]2CN(Cc3ccc4c(c3)CC(C)(C)O4)CCO2)n1 ZINC000257234809 568681364 /nfs/dbraw/zinc/68/13/64/568681364.db2.gz GVDYRZWWHUUGQK-OAQYLSRUSA-N 0 0 437.569 4.272 40 0 IIABRN CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2c(C)noc2C)nc(C2CC2)n1 ZINC000257235257 568681674 /nfs/dbraw/zinc/68/16/74/568681674.db2.gz GXBVHJZJPPUMRQ-OAQYLSRUSA-N 0 0 444.539 4.125 40 0 IIABRN Cc1nccn1Cc1cccc(C(=O)N2CCOC[C@H](Cc3cccc4ncccc34)C2)c1 ZINC000257241608 568684409 /nfs/dbraw/zinc/68/44/09/568684409.db2.gz HYRMOUFFLNOIIG-JOCHJYFZSA-N 0 0 440.547 4.119 40 0 IIABRN CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccnc2)CC1 ZINC000257246211 568686649 /nfs/dbraw/zinc/68/66/49/568686649.db2.gz ITCFCOONUXIISS-UHFFFAOYSA-N 0 0 447.604 4.340 40 0 IIABRN O=C(Cc1ccccn1)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257247089 568686921 /nfs/dbraw/zinc/68/69/21/568686921.db2.gz IXJLWTWHYPIDMC-JOCHJYFZSA-N 0 0 441.453 4.229 40 0 IIABRN CN(CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1)Cc1ccccn1 ZINC000257248768 568687897 /nfs/dbraw/zinc/68/78/97/568687897.db2.gz JFCWWOJLVMOGOR-JOCHJYFZSA-N 0 0 438.959 4.499 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257249516 568688507 /nfs/dbraw/zinc/68/85/07/568688507.db2.gz JISGRBYZQVRPML-HXUWFJFHSA-N 0 0 440.503 4.148 40 0 IIABRN CN(CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257251738 568689269 /nfs/dbraw/zinc/68/92/69/568689269.db2.gz JRYPLQBRMMXIRZ-HXUWFJFHSA-N 0 0 439.506 4.382 40 0 IIABRN Cc1c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)sc2[nH]cnc(=O)c12 ZINC000257251709 568689376 /nfs/dbraw/zinc/68/93/76/568689376.db2.gz JRVSXPUABMQAAM-MRXNPFEDSA-N 0 0 438.484 4.401 40 0 IIABRN Cc1nc2cc([C@@H]3CCCN3Cc3ccc(F)cc3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257252802 568689969 /nfs/dbraw/zinc/68/99/69/568689969.db2.gz JWENYNFUGMSDMK-DEOSSOPVSA-N 0 0 449.574 4.281 40 0 IIABRN Cc1cnc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4ccc5[nH]c(C)nc5c4)CCO3)c2)s1 ZINC000257259606 568692885 /nfs/dbraw/zinc/69/28/85/568692885.db2.gz KZCAXTKSERMLFK-NRFANRHFSA-N 0 0 448.552 4.297 40 0 IIABRN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257259818 568692989 /nfs/dbraw/zinc/69/29/89/568692989.db2.gz LAEXLXNGPINGDU-IBGZPJMESA-N 0 0 437.927 4.055 40 0 IIABRN O=C(CNC(=O)c1ccccc1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257259819 568693003 /nfs/dbraw/zinc/69/30/03/568693003.db2.gz LAEXLXNGPINGDU-LJQANCHMSA-N 0 0 437.927 4.055 40 0 IIABRN COc1cccc2cc(CNc3cc(-c4c[nH]nc4[C@@H]4CCN(C(C)=O)C4)ccn3)oc21 ZINC000257264137 568695045 /nfs/dbraw/zinc/69/50/45/568695045.db2.gz LTBWCROSZGSIRH-GOSISDBHSA-N 0 0 431.496 4.174 40 0 IIABRN COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc(Br)c1O ZINC000257276974 568700774 /nfs/dbraw/zinc/70/07/74/568700774.db2.gz NVXWLQQQCPYRCP-KOWPUWFMSA-N 0 0 438.362 4.182 40 0 IIABRN Cc1nc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2c1CC(=O)N2CC1CCCCC1 ZINC000257278423 568701509 /nfs/dbraw/zinc/70/15/09/568701509.db2.gz OCEXDTWOACVNES-QFIPXVFZSA-N 0 0 446.595 4.203 40 0 IIABRN Cc1cc(N2CCCC2)c(C)cc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO ZINC000257281807 568702932 /nfs/dbraw/zinc/70/29/32/568702932.db2.gz ORBSTEMEXONILN-WMZCSSNRSA-N 0 0 440.628 4.285 40 0 IIABRN Cn1nc([C@H]2CN(Cc3ccncc3)CCO2)cc1CCOc1ccc(C(F)(F)F)cc1 ZINC000257285051 568704418 /nfs/dbraw/zinc/70/44/18/568704418.db2.gz PFKPLBMWVCBQCP-JOCHJYFZSA-N 0 0 446.473 4.029 40 0 IIABRN COc1ccc(C2(C(=O)N3CCOC[C@H](Cc4nccn5cccc45)C3)CCCCC2)cc1 ZINC000257287071 568705394 /nfs/dbraw/zinc/70/53/94/568705394.db2.gz POJIKUDKYRDIOL-OAQYLSRUSA-N 0 0 447.579 4.263 40 0 IIABRN 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ZINC000257316929 568718616 /nfs/dbraw/zinc/71/86/16/568718616.db2.gz VHPNENHFMIVNTJ-OUMDNPPYSA-N 0 0 443.547 4.463 40 0 IIABRN CC(=O)Nc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)s1 ZINC000257324026 568721948 /nfs/dbraw/zinc/72/19/48/568721948.db2.gz WMVVMNVIDNEQNM-MRXNPFEDSA-N 0 0 442.516 4.148 40 0 IIABRN COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(Br)c4)OCC[C@]13C2 ZINC000257325488 568722607 /nfs/dbraw/zinc/72/26/07/568722607.db2.gz WTCGWNMVXWQJHZ-XSGQZRFPSA-N 0 0 436.390 4.484 40 0 IIABRN Cc1[nH]c2ccc(F)cc2c1CN1CCO[C@H](c2cc(Nc3nncs3)cc(C)n2)C1 ZINC000257327794 568723439 /nfs/dbraw/zinc/72/34/39/568723439.db2.gz XCTVLSQRFJGBIY-NRFANRHFSA-N 0 0 438.532 4.487 40 0 IIABRN COc1cccc(C)c1NC(=O)CN1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1 ZINC000257328230 568723601 /nfs/dbraw/zinc/72/36/01/568723601.db2.gz XESUOXLFPDENJZ-UHFFFAOYSA-N 0 0 449.530 4.494 40 0 IIABRN Cc1cccc(Nc2cccc([C@H]3CN(C(=O)CCN(C)c4cccc(F)c4)CCO3)n2)n1 ZINC000257328965 568723932 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COc1ccc(N2C(=S)N=NC2c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000013533991 568828237 /nfs/dbraw/zinc/82/82/37/568828237.db2.gz PPHOGCLYHAVSAH-UHFFFAOYSA-N 0 0 438.534 4.032 40 0 IIABRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc43)CC2=O)cc1Cl ZINC000001289734 568859017 /nfs/dbraw/zinc/85/90/17/568859017.db2.gz LVGSOSQYIYTZOW-QGZVFWFLSA-N 0 0 436.895 4.336 40 0 IIABRN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000575421515 568863006 /nfs/dbraw/zinc/86/30/06/568863006.db2.gz JUKKIQWTQPSECZ-OAQYLSRUSA-N 0 0 431.579 4.240 40 0 IIABRN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(Cc1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000575424146 568864530 /nfs/dbraw/zinc/86/45/30/568864530.db2.gz SVQGXBBHZCGLFR-JOCHJYFZSA-N 0 0 445.606 4.236 40 0 IIABRN O=C([C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000102674439 568888055 /nfs/dbraw/zinc/88/80/55/568888055.db2.gz KRACMKLVGWFJGO-ZRZAMGCNSA-N 0 0 444.579 4.079 40 0 IIABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cc(OC)ccc1OC)OCCO3 ZINC000013503627 568904847 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CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2N1 ZINC000253608571 569209234 /nfs/dbraw/zinc/20/92/34/569209234.db2.gz JCUAJCIUJJBTIN-KBRIMQKVSA-N 0 0 446.470 4.246 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008846994 569219337 /nfs/dbraw/zinc/21/93/37/569219337.db2.gz WSYPWCKXBDZLFI-FQEVSTJZSA-N 0 0 444.487 4.009 40 0 IIABRN O=C(NCCCN1CCc2ccccc21)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009062752 569219561 /nfs/dbraw/zinc/21/95/61/569219561.db2.gz QYIYJJXNZDRCPF-UHFFFAOYSA-N 0 0 429.967 4.260 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)cc1C ZINC000009974106 569220476 /nfs/dbraw/zinc/22/04/76/569220476.db2.gz UPNZERVFVAQSQZ-INIZCTEOSA-N 0 0 436.961 4.005 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)cc1Cl ZINC000009974658 569220666 /nfs/dbraw/zinc/22/06/66/569220666.db2.gz YVCQVBSRAYPNRY-CYBMUJFWSA-N 0 0 443.352 4.041 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000010110214 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437.367 4.488 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)NC)cc1 ZINC000223361293 193971272 /nfs/dbraw/zinc/97/12/72/193971272.db2.gz JVKRMHXLRPFJDN-HXUWFJFHSA-N 0 0 437.367 4.488 40 0 IIABRN CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(Cl)cc1 ZINC000408613546 193979803 /nfs/dbraw/zinc/97/98/03/193979803.db2.gz VMCVUKAZJDOCNU-UHFFFAOYSA-N 0 0 442.968 4.007 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)cc2c1 ZINC000006178010 132276579 /nfs/dbraw/zinc/27/65/79/132276579.db2.gz MHBKICLSPNHBFD-HSZRJFAPSA-N 0 0 442.567 4.429 40 0 IIABRN CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000013503574 132347262 /nfs/dbraw/zinc/34/72/62/132347262.db2.gz DZGQNNXHOHMPNZ-UHFFFAOYSA-N 0 0 437.565 4.373 40 0 IIABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccc(F)cc3)CC2)c1 ZINC000013503859 132347445 /nfs/dbraw/zinc/34/74/45/132347445.db2.gz KMGGFYIYCQHIBY-XMMPIXPASA-N 0 0 434.563 4.456 40 0 IIABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccc(F)cc3)CC2)c1 ZINC000013503858 132347461 /nfs/dbraw/zinc/34/74/61/132347461.db2.gz KMGGFYIYCQHIBY-DEOSSOPVSA-N 0 0 434.563 4.456 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1 ZINC000013504127 132347769 /nfs/dbraw/zinc/34/77/69/132347769.db2.gz APXCXFCAIFJDLS-DEOSSOPVSA-N 0 0 448.615 4.355 40 0 IIABRN Cc1cccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3ccccc3)CC2)c1C ZINC000013504573 132348140 /nfs/dbraw/zinc/34/81/40/132348140.db2.gz QMZAVIIGSMXVAQ-AREMUKBSSA-N 0 0 438.579 4.250 40 0 IIABRN COc1ccc([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)OC3)cc1OC ZINC000013567551 132350474 /nfs/dbraw/zinc/35/04/74/132350474.db2.gz GXMUEKDKJNDWOB-HNNXBMFYSA-N 0 0 433.382 4.054 40 0 IIABRN Cc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013667544 132352753 /nfs/dbraw/zinc/35/27/53/132352753.db2.gz GJGIFZXDGCGGQA-UHFFFAOYSA-N 0 0 434.561 4.478 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 ZINC000012870407 518746420 /nfs/dbraw/zinc/74/64/20/518746420.db2.gz RNOHUCISYARPOW-GOSISDBHSA-N 0 0 428.945 4.494 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)c1csnn1 ZINC000012871596 518747606 /nfs/dbraw/zinc/74/76/06/518747606.db2.gz QFMJQLYUCSEBGP-IBGZPJMESA-N 0 0 442.972 4.490 40 0 IIABRN CC(=O)Nc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020492704 519744384 /nfs/dbraw/zinc/74/43/84/519744384.db2.gz XGBWVWVUIJKRJZ-UHFFFAOYSA-N 0 0 443.912 4.352 40 0 IIABRN CC(C)c1ccccc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000022400139 519844329 /nfs/dbraw/zinc/84/43/29/519844329.db2.gz UVMQYTKYZCXROX-UHFFFAOYSA-N 0 0 436.577 4.482 40 0 IIABRN CC(C)c1ccccc1OCC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 ZINC000012220487 519846979 /nfs/dbraw/zinc/84/69/79/519846979.db2.gz XURPWEHTYSUWED-UHFFFAOYSA-N 0 0 431.536 4.242 40 0 IIABRN CC(C)n1nc(CC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000012116142 520065177 /nfs/dbraw/zinc/06/51/77/520065177.db2.gz HJPDJCORCIQLTQ-QFIPXVFZSA-N 0 0 429.524 4.150 40 0 IIABRN CCCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022427541 520383775 /nfs/dbraw/zinc/38/37/75/520383775.db2.gz WGHCDTVAMDJBEY-QFIPXVFZSA-N 0 0 432.586 4.126 40 0 IIABRN CCCOc1ccccc1CCCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000022330258 520474890 /nfs/dbraw/zinc/47/48/90/520474890.db2.gz HDCUULRRAXDCHF-UHFFFAOYSA-N 0 0 446.613 4.114 40 0 IIABRN CCCCN1c2nc3ccccc3n2[C@H](c2c[nH]c3ccccc32)[C@@H](C(=O)OCC)C1=O ZINC000020675480 520600198 /nfs/dbraw/zinc/60/01/98/520600198.db2.gz SITPGCWUQVQJCC-FGZHOGPDSA-N 0 0 430.508 4.433 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022537753 520794087 /nfs/dbraw/zinc/79/40/87/520794087.db2.gz XXWXQHMMOJYHOI-HXUWFJFHSA-N 0 0 430.614 4.452 40 0 IIABRN CCOc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022381246 521059020 /nfs/dbraw/zinc/05/90/20/521059020.db2.gz BPSJYMQTSBAFBH-UHFFFAOYSA-N 0 0 446.475 4.198 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccc(C)c(C)c1 ZINC000012869335 521336277 /nfs/dbraw/zinc/33/62/77/521336277.db2.gz FWWLFVIWUUIBOT-LJQANCHMSA-N 0 0 426.542 4.441 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 ZINC000012872251 521337442 /nfs/dbraw/zinc/33/74/42/521337442.db2.gz SRQCTHVDBSRCIQ-HXUWFJFHSA-N 0 0 440.569 4.436 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1cc(C)ccc1C ZINC000012869239 521345524 /nfs/dbraw/zinc/34/55/24/521345524.db2.gz QLRXCFXXTICESD-FQEVSTJZSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012871022 521346474 /nfs/dbraw/zinc/34/64/74/521346474.db2.gz DIXABPCQGLPIEO-SFHVURJKSA-N 0 0 443.960 4.279 40 0 IIABRN CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5ccccc5c4)no3)N(C)C2)cc1 ZINC000012490040 522152491 /nfs/dbraw/zinc/15/24/91/522152491.db2.gz IRUYQMKRNXBQMM-GMAHTHKFSA-N 0 0 441.535 4.131 40 0 biogenic,in-vitro IIABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)cc1 ZINC000021837566 522540882 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COCCN(C(=O)Cc1ccsc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012482530 523540513 /nfs/dbraw/zinc/54/05/13/523540513.db2.gz QXTIWRMYODBFMV-JOCHJYFZSA-N 0 0 432.561 4.095 40 0 IIABRN CN(c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1)S(=O)(=O)c1cccs1 ZINC000020457491 523633711 /nfs/dbraw/zinc/63/37/11/523633711.db2.gz DNHDNLPCWPVRNH-FQEVSTJZSA-N 0 0 426.563 4.381 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc2n1 ZINC000012257524 523778699 /nfs/dbraw/zinc/77/86/99/523778699.db2.gz QDTLZEMSRBUDRF-HNNXBMFYSA-N 0 0 434.437 4.398 40 0 IIABRN COc1ccc(C2(C(=O)N3CCC[C@H](c4nc(C)ncc4-c4ccncc4)C3)CC2)cc1 ZINC000012088619 523865242 /nfs/dbraw/zinc/86/52/42/523865242.db2.gz RSVFFWCWBAKFOS-FQEVSTJZSA-N 0 0 428.536 4.293 40 0 IIABRN CC[C@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1c(F)cccc1Cl ZINC000012471900 523908608 /nfs/dbraw/zinc/90/86/08/523908608.db2.gz HYRMQSLKXFHKHN-SGTLLEGYSA-N 0 0 438.956 4.371 40 0 IIABRN C[C@@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000020495149 524083699 /nfs/dbraw/zinc/08/36/99/524083699.db2.gz GMZIJIWKNGPHPD-LBPRGKRZSA-N 0 0 449.787 4.460 40 0 IIABRN Cc1ccc(C)c(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000022231044 524136235 /nfs/dbraw/zinc/13/62/35/524136235.db2.gz WARGTDIXXJJEJF-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccnc2)c1C ZINC000035288944 524138534 /nfs/dbraw/zinc/13/85/34/524138534.db2.gz HHIXVZVNJQOFQE-UHFFFAOYSA-N 0 0 429.549 4.355 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4nc5cc(F)ccc5[nH]4)C3)cc2n1 ZINC000012221502 524206162 /nfs/dbraw/zinc/20/61/62/524206162.db2.gz WXLAPKJADHPLPI-LBPRGKRZSA-N 0 0 446.408 4.092 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 ZINC000020462439 524211296 /nfs/dbraw/zinc/21/12/96/524211296.db2.gz FVOOEBSIRFAINB-GMAHTHKFSA-N 0 0 442.625 4.155 40 0 IIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCCC1 ZINC000012882077 524276133 /nfs/dbraw/zinc/27/61/33/524276133.db2.gz 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Cc1cc(C)cc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2cccnc2)c1 ZINC000035289318 524356187 /nfs/dbraw/zinc/35/61/87/524356187.db2.gz HDZIZOIWRCVGKR-UHFFFAOYSA-N 0 0 431.521 4.383 40 0 IIABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)c1 ZINC000012492843 524508583 /nfs/dbraw/zinc/50/85/83/524508583.db2.gz ILQJSCXUVWPPAV-XUZZJYLKSA-N 0 0 449.576 4.064 40 0 IIABRN COc1ccccc1N1CCN(C(=O)c2sc(Nc3ccc(F)cc3)nc2C)CC1 ZINC000022245995 524555285 /nfs/dbraw/zinc/55/52/85/524555285.db2.gz GPDLJIYOBWSVNH-UHFFFAOYSA-N 0 0 426.517 4.305 40 0 IIABRN Cc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCC[C@@H](C)C3)n2)o1 ZINC000225914723 524570614 /nfs/dbraw/zinc/57/06/14/524570614.db2.gz NLFHNVBMNGATSQ-MRXNPFEDSA-N 0 0 428.606 4.091 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)cc1 ZINC000020493122 524633444 /nfs/dbraw/zinc/63/34/44/524633444.db2.gz YGGYTLUEVQIAOB-HXUWFJFHSA-N 0 0 428.598 4.031 40 0 IIABRN Cc1ccc(Cl)cc1N1CCN([C@@H](c2nnnn2Cc2ccco2)c2ccccc2)CC1 ZINC000035290795 524737884 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432.411 4.111 40 0 IIABRN Cc1nn(C(=O)c2cc3cccc(C)c3nc2C)c(C)c1[C@H](NC(N)=O)c1ccccc1 ZINC000035316050 527574712 /nfs/dbraw/zinc/57/47/12/527574712.db2.gz UQKHPHQMNWXSJQ-HSZRJFAPSA-N 0 0 427.508 4.111 40 0 IIABRN COc1ccccc1N1CCN([C@@H](c2nnnn2C2CCCC2)c2ccc(C)cc2)CC1 ZINC000013503847 537069558 /nfs/dbraw/zinc/06/95/58/537069558.db2.gz QBTHRWDFQLBCMY-XMMPIXPASA-N 0 0 432.572 4.017 40 0 IIABRN Cc1cc(C)nc(SCC(=O)Nc2cc(Br)ccc2Br)n1 ZINC000034744829 555508083 /nfs/dbraw/zinc/50/80/83/555508083.db2.gz VMPDMWPXKBMNLT-UHFFFAOYSA-N 0 0 431.153 4.349 40 0 IIABRN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CCc1ccccc1)Nc1ccccc1 ZINC000000870669 555575173 /nfs/dbraw/zinc/57/51/73/555575173.db2.gz AVYZJYZYGPCABP-JOCHJYFZSA-N 0 0 429.545 4.260 40 0 IIABRN COC(=O)c1nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2c(-c2ccccc2)c1C ZINC000001592551 555704944 /nfs/dbraw/zinc/70/49/44/555704944.db2.gz IFNIZIXHXFKHCQ-UHFFFAOYSA-N 0 0 436.859 4.184 40 0 IIABRN Cc1ccc([C@H](CC(=O)C(C)(C)C[NH+]2CCCCC2)SCCS(=O)(=O)[O-])cc1 ZINC000001637076 555707336 /nfs/dbraw/zinc/70/73/36/555707336.db2.gz LGXLALWCPHRYSF-IBGZPJMESA-N 0 0 427.632 4.128 40 0 IIABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC000408526468 555715665 /nfs/dbraw/zinc/71/56/65/555715665.db2.gz BMMGKRVJPQPHOD-ZDUSSCGKSA-N 0 0 443.352 4.041 40 0 IIABRN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408527590 555718174 /nfs/dbraw/zinc/71/81/74/555718174.db2.gz DZMYGIUQXZBQIS-GFCCVEGCSA-N 0 0 431.316 4.172 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408528735 555721558 /nfs/dbraw/zinc/72/15/58/555721558.db2.gz HAICWYAHKVNLLK-HXUWFJFHSA-N 0 0 442.968 4.210 40 0 IIABRN Cn1c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(N3CCCCC3)cc2n(C)c1=O ZINC000408534814 555755013 /nfs/dbraw/zinc/75/50/13/555755013.db2.gz RIEDKRPFQRSWLD-UHFFFAOYSA-N 0 0 433.339 4.426 40 0 IIABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408535789 555764956 /nfs/dbraw/zinc/76/49/56/555764956.db2.gz WLECFCNGQBNLPX-GFCCVEGCSA-N 0 0 431.341 4.088 40 0 IIABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)c1 ZINC000408543207 555790713 /nfs/dbraw/zinc/79/07/13/555790713.db2.gz NOQILHYLCRWPOQ-UHFFFAOYSA-N 0 0 447.358 4.298 40 0 IIABRN Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000408549558 555830431 /nfs/dbraw/zinc/83/04/31/555830431.db2.gz ZWKUANFDRRESNW-CQSZACIVSA-N 0 0 429.369 4.081 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408551906 555878787 /nfs/dbraw/zinc/87/87/87/555878787.db2.gz NKBBEUOACYXNEY-HNNXBMFYSA-N 0 0 428.485 4.126 40 0 IIABRN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000408558449 555897738 /nfs/dbraw/zinc/89/77/38/555897738.db2.gz RGEPSAIQEIUMDM-MRXNPFEDSA-N 0 0 428.485 4.411 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408559574 555899290 /nfs/dbraw/zinc/89/92/90/555899290.db2.gz MPCOESDDAZIRCP-QGZVFWFLSA-N 0 0 440.521 4.101 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cccc2C)C1 ZINC000408559967 555899580 /nfs/dbraw/zinc/89/95/80/555899580.db2.gz NUJBSCYSAHZGQK-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN CSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 ZINC000408560364 555900770 /nfs/dbraw/zinc/90/07/70/555900770.db2.gz OTMHYTWZJNDYKH-SFHVURJKSA-N 0 0 432.611 4.373 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000408561695 555904242 /nfs/dbraw/zinc/90/42/42/555904242.db2.gz VFLRXVVKJQLNOJ-UHFFFAOYSA-N 0 0 443.352 4.041 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000408562010 555905101 /nfs/dbraw/zinc/90/51/01/555905101.db2.gz WXFMDSHSYQMICN-INIZCTEOSA-N 0 0 436.961 4.005 40 0 IIABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2ccccc2C)cc1OC ZINC000408575152 555925814 /nfs/dbraw/zinc/92/58/14/555925814.db2.gz JFRSYKRVKBBDHX-UHFFFAOYSA-N 0 0 448.519 4.002 40 0 IIABRN COC(=O)c1cccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000408583376 555929970 /nfs/dbraw/zinc/92/99/70/555929970.db2.gz UDRXBWWNWYCXMW-UHFFFAOYSA-N 0 0 427.526 4.055 40 0 IIABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000408583621 555930167 /nfs/dbraw/zinc/93/01/67/555930167.db2.gz ISMLZEZQGQYGNL-IBGZPJMESA-N 0 0 444.556 4.412 40 0 IIABRN O=C(NC1CCCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408582530 555933807 /nfs/dbraw/zinc/93/38/07/555933807.db2.gz CXWFJQKLMDAKAT-OAQYLSRUSA-N 0 0 428.598 4.470 40 0 IIABRN Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl ZINC000408584747 555934807 /nfs/dbraw/zinc/93/48/07/555934807.db2.gz UMKQGFZQXFWXJO-UHFFFAOYSA-N 0 0 436.961 4.195 40 0 IIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC ZINC000408587980 555938529 /nfs/dbraw/zinc/93/85/29/555938529.db2.gz VMOXCCRKXMTIIK-UHFFFAOYSA-N 0 0 432.420 4.473 40 0 IIABRN Cc1ccc([C@@H](CC(=O)C(C)(C)C[NH+]2CCCCC2)SCCS(=O)(=O)[O-])cc1 ZINC000003589286 555940177 /nfs/dbraw/zinc/94/01/77/555940177.db2.gz LGXLALWCPHRYSF-LJQANCHMSA-N 0 0 427.632 4.128 40 0 IIABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408597665 555955520 /nfs/dbraw/zinc/95/55/20/555955520.db2.gz VSERXMYSKXEUFP-CYBMUJFWSA-N 0 0 445.368 4.334 40 0 IIABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408598317 555956838 /nfs/dbraw/zinc/95/68/38/555956838.db2.gz ZAPNPBFNEDBISO-ZDUSSCGKSA-N 0 0 445.368 4.334 40 0 IIABRN C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408593357 555959314 /nfs/dbraw/zinc/95/93/14/555959314.db2.gz QAONKJNGUDPEGS-HNNXBMFYSA-N 0 0 436.961 4.357 40 0 IIABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408594861 555961146 /nfs/dbraw/zinc/96/11/46/555961146.db2.gz PNQXOVLXIRBDID-ZDUSSCGKSA-N 0 0 445.368 4.334 40 0 IIABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NC(C)C)cc1Cl ZINC000408601138 555969502 /nfs/dbraw/zinc/96/95/02/555969502.db2.gz ADXHNMRHZIRZAA-UHFFFAOYSA-N 0 0 447.322 4.104 40 0 IIABRN CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408601831 555970619 /nfs/dbraw/zinc/97/06/19/555970619.db2.gz BWDULMSMLQXSAU-LBPRGKRZSA-N 0 0 447.322 4.185 40 0 IIABRN CSc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408602148 555971374 /nfs/dbraw/zinc/97/13/74/555971374.db2.gz HYWKWNPAKWNOFS-INIZCTEOSA-N 0 0 448.610 4.426 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)Cc1ccc(F)cc1 ZINC000408605296 555975360 /nfs/dbraw/zinc/97/53/60/555975360.db2.gz FYZKAIKEGPBIJN-UHFFFAOYSA-N 0 0 439.723 4.186 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000408608885 555979454 /nfs/dbraw/zinc/97/94/54/555979454.db2.gz QFTBUUAFCFAMKM-GFCCVEGCSA-N 0 0 431.341 4.006 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)C2CCCCC2)cc1 ZINC000408610886 555981102 /nfs/dbraw/zinc/98/11/02/555981102.db2.gz OXSMEEHIVRXCPF-NRFANRHFSA-N 0 0 442.625 4.456 40 0 IIABRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)o1 ZINC000408618101 555981825 /nfs/dbraw/zinc/98/18/25/555981825.db2.gz BXZJGLAQLDMTSJ-UHFFFAOYSA-N 0 0 427.482 4.041 40 0 IIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3C)CC2=O)cc1 ZINC000408614635 555985237 /nfs/dbraw/zinc/98/52/37/555985237.db2.gz FSUDXPMAFXWDFC-OAQYLSRUSA-N 0 0 441.531 4.225 40 0 IIABRN CCn1c2ccccc2c2cc(NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)ccc21 ZINC000408616866 555988014 /nfs/dbraw/zinc/98/80/14/555988014.db2.gz COQUMZIJKWDMLO-UHFFFAOYSA-N 0 0 439.512 4.358 40 0 IIABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000408619843 555988875 /nfs/dbraw/zinc/98/88/75/555988875.db2.gz NYIIOHXRTJGMTN-KRWDZBQOSA-N 0 0 440.521 4.281 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Cl)c1 ZINC000408624549 555994307 /nfs/dbraw/zinc/99/43/07/555994307.db2.gz QRXKSHUQAXGPFR-UHFFFAOYSA-N 0 0 431.341 4.089 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cc(OC)ccc2OC)cc1 ZINC000408628140 555998660 /nfs/dbraw/zinc/99/86/60/555998660.db2.gz UUQXFBDPICZQAN-UHFFFAOYSA-N 0 0 427.522 4.416 40 0 IIABRN O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(-c2ccccc2)cc2ccccn21 ZINC000408635546 556013096 /nfs/dbraw/zinc/01/30/96/556013096.db2.gz DJYVLWZFICEDMU-UHFFFAOYSA-N 0 0 427.479 4.277 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408645169 556021200 /nfs/dbraw/zinc/02/12/00/556021200.db2.gz HOWVMZJMVSZSPH-KBRIMQKVSA-N 0 0 444.940 4.063 40 0 IIABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 ZINC000408646423 556022043 /nfs/dbraw/zinc/02/20/43/556022043.db2.gz PADCYMPSLQKNIO-IBGZPJMESA-N 0 0 444.487 4.322 40 0 IIABRN C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O ZINC000408650359 556026844 /nfs/dbraw/zinc/02/68/44/556026844.db2.gz MKXOFDPGECDLOB-CYBMUJFWSA-N 0 0 433.291 4.161 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 ZINC000408653724 556030939 /nfs/dbraw/zinc/03/09/39/556030939.db2.gz FNRHFOCZSSJUHR-UHFFFAOYSA-N 0 0 434.492 4.028 40 0 IIABRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)c(C)cc1Br ZINC000408654808 556033244 /nfs/dbraw/zinc/03/32/44/556033244.db2.gz BTATUSQHPBEMDT-UHFFFAOYSA-N 0 0 447.329 4.357 40 0 IIABRN COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408662566 556040417 /nfs/dbraw/zinc/04/04/17/556040417.db2.gz FLJGCRPEBSKLBZ-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408661041 556041326 /nfs/dbraw/zinc/04/13/26/556041326.db2.gz CQXHLGNKKDJNEH-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 ZINC000408659244 556044188 /nfs/dbraw/zinc/04/41/88/556044188.db2.gz KIIXCIBAENQBOH-JEKTVJEGSA-N 0 0 444.409 4.094 40 0 IIABRN Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 ZINC000408664279 556044483 /nfs/dbraw/zinc/04/44/83/556044483.db2.gz ZFHRGCQFNRBBLU-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000408664017 556047947 /nfs/dbraw/zinc/04/79/47/556047947.db2.gz IQQSCYPLCAFYCY-UHFFFAOYSA-N 0 0 428.794 4.259 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408664101 556048251 /nfs/dbraw/zinc/04/82/51/556048251.db2.gz YRTGXVKIKJILCR-FMKPAKJESA-N 0 0 444.940 4.063 40 0 IIABRN Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408665524 556049497 /nfs/dbraw/zinc/04/94/97/556049497.db2.gz FQUNZCBIBRUQCV-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000005409784 556051462 /nfs/dbraw/zinc/05/14/62/556051462.db2.gz SMEGTTUCKYOLLP-INIZCTEOSA-N 0 0 445.537 4.195 40 0 IIABRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N(c1ccccc1)c1ccccc1 ZINC000408668840 556054288 /nfs/dbraw/zinc/05/42/88/556054288.db2.gz FMEBLKRCBOJXNP-UHFFFAOYSA-N 0 0 435.277 4.410 40 0 IIABRN COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408669048 556054664 /nfs/dbraw/zinc/05/46/64/556054664.db2.gz VWYQMIOMICFXRF-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408667201 556055335 /nfs/dbraw/zinc/05/53/35/556055335.db2.gz SAMOKKILTQYCCY-UHFFFAOYSA-N 0 0 430.888 4.142 40 0 IIABRN CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000002199947 556059087 /nfs/dbraw/zinc/05/90/87/556059087.db2.gz ZOJIDIFKCOZITF-VXNXHJTFSA-N 0 0 428.488 4.309 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1C ZINC000408671801 556060040 /nfs/dbraw/zinc/06/00/40/556060040.db2.gz UWBUWZKZKRPYHV-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN CC(=O)c1cccc(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000408672292 556060374 /nfs/dbraw/zinc/06/03/74/556060374.db2.gz VDXGWVNQQFMOQK-UHFFFAOYSA-N 0 0 430.504 4.073 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 ZINC000408671285 556060862 /nfs/dbraw/zinc/06/08/62/556060862.db2.gz ZAATZFNFRGGULI-ITEAAPOESA-N 0 0 448.519 4.025 40 0 IIABRN Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408673278 556062687 /nfs/dbraw/zinc/06/26/87/556062687.db2.gz ZJMUQLCAAGICJV-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1cccc(N(CCCC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000408677249 556071114 /nfs/dbraw/zinc/07/11/14/556071114.db2.gz BRZAFOMXMUTMMC-UHFFFAOYSA-N 0 0 439.375 4.251 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCCCCC1 ZINC000408676282 556071121 /nfs/dbraw/zinc/07/11/21/556071121.db2.gz MXGSXAWSBXMNRF-UHFFFAOYSA-N 0 0 436.961 4.231 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)c(C)c2)cc1 ZINC000408676428 556071470 /nfs/dbraw/zinc/07/14/70/556071470.db2.gz NXDSQRCPHZFZCO-UHFFFAOYSA-N 0 0 446.569 4.022 40 0 IIABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000408679554 556074080 /nfs/dbraw/zinc/07/40/80/556074080.db2.gz NUHXEPACJZFOOC-INIZCTEOSA-N 0 0 428.485 4.341 40 0 IIABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000408680491 556074661 /nfs/dbraw/zinc/07/46/61/556074661.db2.gz MPLGGGISDFQSMI-KRWDZBQOSA-N 0 0 440.521 4.210 40 0 IIABRN CCCOC(=O)c1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C(C)C[C@@H]3C2=O)cc1 ZINC000408680244 556074870 /nfs/dbraw/zinc/07/48/70/556074870.db2.gz HKZRFUHUBLUFFS-CTNGQTDRSA-N 0 0 446.503 4.351 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 ZINC000408686253 556085303 /nfs/dbraw/zinc/08/53/03/556085303.db2.gz REUSHBCTTGTZJR-OAQYLSRUSA-N 0 0 444.535 4.097 40 0 IIABRN COCCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)n1 ZINC000408692856 556092350 /nfs/dbraw/zinc/09/23/50/556092350.db2.gz WZCWGCAIEORFMX-UHFFFAOYSA-N 0 0 449.736 4.117 40 0 IIABRN COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2cc(Cl)ccc2C)n1 ZINC000408692326 556095238 /nfs/dbraw/zinc/09/52/38/556095238.db2.gz JWLWGCHZBYMOMP-UHFFFAOYSA-N 0 0 449.736 4.035 40 0 IIABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C ZINC000408694363 556096221 /nfs/dbraw/zinc/09/62/21/556096221.db2.gz DBOPLMZITNEQNK-LJQANCHMSA-N 0 0 430.570 4.274 40 0 IIABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408694785 556096832 /nfs/dbraw/zinc/09/68/32/556096832.db2.gz HWBSRXLRFJKYKV-FQEVSTJZSA-N 0 0 434.533 4.187 40 0 IIABRN Cc1ccc(CNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000408702067 556105470 /nfs/dbraw/zinc/10/54/70/556105470.db2.gz AYJUAZUHWPYWHD-UHFFFAOYSA-N 0 0 429.369 4.164 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000408705268 556113210 /nfs/dbraw/zinc/11/32/10/556113210.db2.gz ATIQZPTXVSFBFP-UHFFFAOYSA-N 0 0 427.353 4.129 40 0 IIABRN CCOc1ccc(N2C[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000408709277 556115466 /nfs/dbraw/zinc/11/54/66/556115466.db2.gz YXRUEHVJZPDRCT-QFIPXVFZSA-N 0 0 428.532 4.387 40 0 IIABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCCc2ccccc2)c1 ZINC000408709984 556116354 /nfs/dbraw/zinc/11/63/54/556116354.db2.gz KCWZCPRTPSHYNL-UHFFFAOYSA-N 0 0 443.547 4.003 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000408713687 556126881 /nfs/dbraw/zinc/12/68/81/556126881.db2.gz MMORYGGALMWCDH-UHFFFAOYSA-N 0 0 448.560 4.306 40 0 IIABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)COc1ccc(Br)cc1Cl ZINC000408714145 556129373 /nfs/dbraw/zinc/12/93/73/556129373.db2.gz JQVWPHKVBDFINY-UHFFFAOYSA-N 0 0 436.693 4.190 40 0 IIABRN CCOc1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc(OCC)c1OCC ZINC000408714473 556133624 /nfs/dbraw/zinc/13/36/24/556133624.db2.gz RKPOTMJSWKHEJN-UHFFFAOYSA-N 0 0 425.485 4.205 40 0 IIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)Nc3ccccc3Cl)cc1)C2=O ZINC000408721749 556149510 /nfs/dbraw/zinc/14/95/10/556149510.db2.gz LOIPXKHGDYPCTH-KSFYIVLOSA-N 0 0 446.956 4.457 40 0 IIABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000008782380 556214999 /nfs/dbraw/zinc/21/49/99/556214999.db2.gz XNESGHKZRIQOOH-SFHVURJKSA-N 0 0 443.503 4.248 40 0 IIABRN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000008782379 556215015 /nfs/dbraw/zinc/21/50/15/556215015.db2.gz XNESGHKZRIQOOH-GOSISDBHSA-N 0 0 443.503 4.248 40 0 IIABRN CCCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000009069068 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556589491 /nfs/dbraw/zinc/58/94/91/556589491.db2.gz GRAFEGQWGGIANL-SNAWJCMRSA-N 0 0 438.263 4.227 40 0 IIABRN CC[C@@H](C(=O)N[C@H](c1ccccc1)c1ccccc1C)N(c1ccccc1)S(C)(=O)=O ZINC000036127211 556593279 /nfs/dbraw/zinc/59/32/79/556593279.db2.gz LRYCJYPGXMUEGW-BJKOFHAPSA-N 0 0 436.577 4.445 40 0 IIABRN CSc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000016248787 556594461 /nfs/dbraw/zinc/59/44/61/556594461.db2.gz BKKKXFKBBLCJDX-UHFFFAOYSA-N 0 0 440.590 4.281 40 0 IIABRN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C1 ZINC000036627548 556599058 /nfs/dbraw/zinc/59/90/58/556599058.db2.gz YAEYXKCVDPDXTB-NXEZZACHSA-N 0 0 443.135 4.436 40 0 IIABRN Cc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000036631340 556599122 /nfs/dbraw/zinc/59/91/22/556599122.db2.gz QJAZYSOFMVHPHW-GOSISDBHSA-N 0 0 429.929 4.124 40 0 IIABRN O=C(COc1ccc2ccccc2c1Br)N1CCN(c2ccc(F)cc2)CC1 ZINC000036745084 556599833 /nfs/dbraw/zinc/59/98/33/556599833.db2.gz XAKBZBODCPSJLR-UHFFFAOYSA-N 0 0 443.316 4.469 40 0 IIABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NC1CCCCCCC1 ZINC000016479111 556611217 /nfs/dbraw/zinc/61/12/17/556611217.db2.gz LCWIRNMBQWAAAB-UHFFFAOYSA-N 0 0 428.598 4.149 40 0 IIABRN O=C(Nc1ccccc1)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000016480248 556611419 /nfs/dbraw/zinc/61/14/19/556611419.db2.gz NBFGIFVJOSUCNQ-JOCHJYFZSA-N 0 0 432.476 4.054 40 0 IIABRN Cc1ccccc1[C@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 ZINC000038751956 556615832 /nfs/dbraw/zinc/61/58/32/556615832.db2.gz NWAZXTGMAVXBIS-FDDCHVKYSA-N 0 0 440.540 4.194 40 0 IIABRN CC[C@H](C(=O)N[C@@H](CC)c1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000038752392 556615884 /nfs/dbraw/zinc/61/58/84/556615884.db2.gz REMMKXWFSLLNKS-VQTJNVASSA-N 0 0 438.977 4.161 40 0 IIABRN CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000038755556 556617813 /nfs/dbraw/zinc/61/78/13/556617813.db2.gz LVPHSQJYHZXUEH-UHFFFAOYSA-N 0 0 448.610 4.480 40 0 IIABRN COCc1nn2c(ncc(C(=O)Nc3cccc(OC)c3)c2C)c1-c1ccc(OC)cc1 ZINC000038829757 556621070 /nfs/dbraw/zinc/62/10/70/556621070.db2.gz CCXKVVKVGUNRDN-UHFFFAOYSA-N 0 0 432.480 4.121 40 0 IIABRN CC(C)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000038833736 556622134 /nfs/dbraw/zinc/62/21/34/556622134.db2.gz YLAJSRYMJIAYQC-NRFANRHFSA-N 0 0 430.570 4.273 40 0 IIABRN CCC(CC)C(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514288880 556625109 /nfs/dbraw/zinc/62/51/09/556625109.db2.gz CQRGHAYHBGOULY-WRALFONMSA-N 0 0 426.532 4.085 40 0 biogenic,in-vitro IIABRN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)NC2CCCCC2)CC[C@@]1(C)O ZINC000514289990 556625643 /nfs/dbraw/zinc/62/56/43/556625643.db2.gz SQKXNVIXHWDLJS-SXWKCWPCSA-N 0 0 435.634 4.209 40 0 biogenic,in-vitro IIABRN CC(C)(C)CC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514289987 556625815 /nfs/dbraw/zinc/62/58/15/556625815.db2.gz SPJSJDLVAUUIBE-SXWKCWPCSA-N 0 0 432.561 4.146 40 0 biogenic,in-vitro IIABRN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)n3c4ccccc4nc32)cc1 ZINC000039964009 556631024 /nfs/dbraw/zinc/63/10/24/556631024.db2.gz AGNAOZFYRQLXHD-QFIPXVFZSA-N 0 0 444.466 4.301 40 0 IIABRN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)n3c4ccccc4nc32)cc1 ZINC000039964008 556631047 /nfs/dbraw/zinc/63/10/47/556631047.db2.gz AGNAOZFYRQLXHD-JOCHJYFZSA-N 0 0 444.466 4.301 40 0 IIABRN CCN(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985197 556631577 /nfs/dbraw/zinc/63/15/77/556631577.db2.gz OEWMQENZRZETHC-UHFFFAOYSA-N 0 0 439.375 4.024 40 0 IIABRN CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985421 556631838 /nfs/dbraw/zinc/63/18/38/556631838.db2.gz CLJCKVHFPURLTR-UHFFFAOYSA-N 0 0 439.723 4.435 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000039986195 556632681 /nfs/dbraw/zinc/63/26/81/556632681.db2.gz GPKLQKAPIHBQLU-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000039986698 556633235 /nfs/dbraw/zinc/63/32/35/556633235.db2.gz VPAWUENUOKEDHU-UHFFFAOYSA-N 0 0 430.570 4.268 40 0 IIABRN CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000016740549 556634623 /nfs/dbraw/zinc/63/46/23/556634623.db2.gz IOMLEDCIFHPLSG-MRXNPFEDSA-N 0 0 449.326 4.259 40 0 IIABRN COc1ccc(CCn2ccc3c(cnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1OC ZINC000040396233 556638983 /nfs/dbraw/zinc/63/89/83/556638983.db2.gz SNDRQIFSYZKVDE-UHFFFAOYSA-N 0 0 440.503 4.280 40 0 IIABRN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(Br)cc1)N(CCO)C3=O ZINC000016778794 556640733 /nfs/dbraw/zinc/64/07/33/556640733.db2.gz DYFONTZEEVLAGO-QGZVFWFLSA-N 0 0 448.700 4.055 40 0 IIABRN COc1cccc(C=C2SC(=O)NC2=O)c1OCC(=O)Nc1cccc2ccccc21 ZINC000016779084 556641047 /nfs/dbraw/zinc/64/10/47/556641047.db2.gz ASVRZLQLGSZZDQ-UNOMPAQXSA-N 0 0 434.473 4.190 40 0 IIABRN COc1ccc(-n2nnnc2/C(Cl)=C2\N(c3ccc(OC)cc3)N=NN2C(C)C)cc1 ZINC000016958529 556650843 /nfs/dbraw/zinc/65/08/43/556650843.db2.gz BSPCLSGSSQFXPW-CZIZESTLSA-N 0 0 440.895 4.057 40 0 IIABRN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101033029 556652596 /nfs/dbraw/zinc/65/25/96/556652596.db2.gz HKVSAYZUUFBPRN-FSSWDIPSSA-N 0 0 434.879 4.400 40 0 IIABRN C[C@@H]1O[C@H](O)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000044135945 556666194 /nfs/dbraw/zinc/66/61/94/556666194.db2.gz YRAQXZMHYZXWBZ-AMDJRULPSA-N 0 0 434.532 4.480 40 0 in-vitro IIABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000044843268 556668952 /nfs/dbraw/zinc/66/89/52/556668952.db2.gz QBXWOQHRYLAMJC-KRWDZBQOSA-N 0 0 440.521 4.210 40 0 IIABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(OC)cc1 ZINC000044880667 556674162 /nfs/dbraw/zinc/67/41/62/556674162.db2.gz XXSYHGNWFYTJTD-QHCPKHFHSA-N 0 0 444.597 4.449 40 0 IIABRN Cc1ccc(CN(C)C(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000044900153 556677036 /nfs/dbraw/zinc/67/70/36/556677036.db2.gz MRSRJQOBEJPULN-AWEZNQCLSA-N 0 0 429.369 4.115 40 0 IIABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000044900023 556677039 /nfs/dbraw/zinc/67/70/39/556677039.db2.gz BIOBAIYDIIQOQR-HSZRJFAPSA-N 0 0 438.549 4.401 40 0 IIABRN CC[C@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044902965 556678663 /nfs/dbraw/zinc/67/86/63/556678663.db2.gz FBWCFDWOVPZKOX-GUYCJALGSA-N 0 0 429.369 4.415 40 0 IIABRN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000044904369 556679203 /nfs/dbraw/zinc/67/92/03/556679203.db2.gz LANZOWMBIMAEJI-UHFFFAOYSA-N 0 0 430.913 4.331 40 0 IIABRN COc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000044906870 556680137 /nfs/dbraw/zinc/68/01/37/556680137.db2.gz VMBBNBOEBRRFCT-UHFFFAOYSA-N 0 0 445.401 4.419 40 0 IIABRN COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000018076474 556683323 /nfs/dbraw/zinc/68/33/23/556683323.db2.gz MUVALGURKMLRPR-UHFFFAOYSA-N 0 0 438.549 4.385 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3)cc2N1 ZINC000019083298 556697614 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ABDBJPPGPRETTN-AREMUKBSSA-N 0 0 441.531 4.305 40 0 IIABRN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)on1 ZINC000019123002 556701933 /nfs/dbraw/zinc/70/19/33/556701933.db2.gz NLORRZDMAXTFIU-UHFFFAOYSA-N 0 0 436.516 4.146 40 0 IIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OCCO)c4)OCC[C@]3(C2)[C@H]1NC(=O)c1ccccc1 ZINC000257208226 556702006 /nfs/dbraw/zinc/70/20/06/556702006.db2.gz BLFXEZNJFWSJPF-WICZROIOSA-N 0 0 435.564 4.370 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000019129057 556704030 /nfs/dbraw/zinc/70/40/30/556704030.db2.gz YAVNRZVATWTGNN-MRXNPFEDSA-N 0 0 432.446 4.014 40 0 IIABRN CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)COc4ccccc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257335033 556706303 /nfs/dbraw/zinc/70/63/03/556706303.db2.gz YIKPIPGPJOSWGL-NLMMERCGSA-N 0 0 446.591 4.457 40 0 IIABRN O=C(CNC(=O)c1ccccc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257339412 556707149 /nfs/dbraw/zinc/70/71/49/556707149.db2.gz ZBPGNXXYXOKBLL-OAQYLSRUSA-N 0 0 437.927 4.402 40 0 IIABRN Cc1ccc(CC(=O)N2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)cc1 ZINC000019209222 556708280 /nfs/dbraw/zinc/70/82/80/556708280.db2.gz IPTVEPNUECGLID-NDEPHWFRSA-N 0 0 441.575 4.149 40 0 IIABRN COc1ccc([C@H]2CN(Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1 ZINC000257225419 556708326 /nfs/dbraw/zinc/70/83/26/556708326.db2.gz FGCWHJOXAQQQIE-RUZDIDTESA-N 0 0 431.536 4.075 40 0 IIABRN CC(=O)Nc1ccc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cc1 ZINC000257226325 556708579 /nfs/dbraw/zinc/70/85/79/556708579.db2.gz FKFDUZWSYRPHEG-DEOSSOPVSA-N 0 0 449.938 4.498 40 0 IIABRN COc1cccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccc(C)cc3)C2)c1 ZINC000019212900 556710808 /nfs/dbraw/zinc/71/08/08/556710808.db2.gz WCBOJQGZVBLPLC-HSZRJFAPSA-N 0 0 428.532 4.102 40 0 IIABRN COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccc(C)s4)CCNC3=O)cc2)cc1 ZINC000019216950 556712173 /nfs/dbraw/zinc/71/21/73/556712173.db2.gz YGYZLWNYDQAWNP-OAQYLSRUSA-N 0 0 434.561 4.163 40 0 IIABRN Cc1c2cccc(C)c2oc1C(=O)N1CCNC(=O)[C@H]1Cc1cccc(-c2cccnc2)c1 ZINC000257262674 556712659 /nfs/dbraw/zinc/71/26/59/556712659.db2.gz LMIWTRZMUYUCNB-HSZRJFAPSA-N 0 0 439.515 4.295 40 0 IIABRN Cc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4cccc5cccnc54)C3)o2)s1 ZINC000019217666 556713051 /nfs/dbraw/zinc/71/30/51/556713051.db2.gz HCDUQPHQVWXUQD-INIZCTEOSA-N 0 0 440.550 4.223 40 0 IIABRN NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)COc2ccccc2)CC1 ZINC000257297648 556717138 /nfs/dbraw/zinc/71/71/38/556717138.db2.gz RIGYIIHSXJEDNN-UHFFFAOYSA-N 0 0 434.561 4.131 40 0 IIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@@H]3CCCO3)CCOCC2)cc1 ZINC000257303395 556717455 /nfs/dbraw/zinc/71/74/55/556717455.db2.gz SHAUYQWMRIYMBO-NRFANRHFSA-N 0 0 427.516 4.136 40 0 IIABRN Cc1ccccc1-c1noc([C@@H]2CN(C(=O)CCc3cn(C)c4ccccc34)CCO2)n1 ZINC000019237487 556722116 /nfs/dbraw/zinc/72/21/16/556722116.db2.gz YSBHVFGVOBQSIQ-QFIPXVFZSA-N 0 0 430.508 4.069 40 0 IIABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)cn1 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Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2csnn2)cc1 ZINC000001378462 556795579 /nfs/dbraw/zinc/79/55/79/556795579.db2.gz TVCVVUHUQHQDER-OAQYLSRUSA-N 0 0 438.553 4.272 40 0 IIABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2csnn2)o1 ZINC000001378443 556795592 /nfs/dbraw/zinc/79/55/92/556795592.db2.gz FQEKVQWMBVVZOW-OAQYLSRUSA-N 0 0 438.553 4.190 40 0 IIABRN O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 ZINC000001380197 556796359 /nfs/dbraw/zinc/79/63/59/556796359.db2.gz LTPJPOYQDVHZEJ-XMMPIXPASA-N 0 0 446.503 4.451 40 0 IIABRN O=C(CN1CCC(n2nnc3ccccc32)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001380499 556796651 /nfs/dbraw/zinc/79/66/51/556796651.db2.gz NPHWEHHCZUWRIM-UHFFFAOYSA-N 0 0 437.853 4.379 40 0 IIABRN COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)c1 ZINC000019558326 556800171 /nfs/dbraw/zinc/80/01/71/556800171.db2.gz WJIFRXJESNENRF-HXUWFJFHSA-N 0 0 435.528 4.190 40 0 IIABRN COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2c2c(-c3onc(C)c3C)cnn2C)c1 ZINC000019558698 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ZINC000019580182 556818178 /nfs/dbraw/zinc/81/81/78/556818178.db2.gz UDSMEMGIVKNFPU-AREMUKBSSA-N 0 0 431.511 4.051 40 0 IIABRN COCCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000004167684 556820555 /nfs/dbraw/zinc/82/05/55/556820555.db2.gz FSJCJXOJMCUGLE-UHFFFAOYSA-N 0 0 430.618 4.384 40 0 IIABRN CN(C)c1ccc(CC(=O)N2CCC(c3nnc(-c4nccc5ccccc54)o3)CC2)cc1 ZINC000019584927 556822195 /nfs/dbraw/zinc/82/21/95/556822195.db2.gz IWDQVGZRSFJWCM-UHFFFAOYSA-N 0 0 441.535 4.300 40 0 IIABRN CCC(C)(C)n1nnnc1CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000004397455 556822454 /nfs/dbraw/zinc/82/24/54/556822454.db2.gz ZLBZVPVYKSJJLI-UHFFFAOYSA-N 0 0 435.498 4.332 40 0 IIABRN CCS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000096518268 556823347 /nfs/dbraw/zinc/82/33/47/556823347.db2.gz OKFSDLXSHVFWKH-MRXNPFEDSA-N 0 0 448.709 4.299 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019591224 556826194 /nfs/dbraw/zinc/82/61/94/556826194.db2.gz PYRBNILIKWCWEO-AREMUKBSSA-N 0 0 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CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)n1 ZINC000019694305 556850115 /nfs/dbraw/zinc/85/01/15/556850115.db2.gz BAHROWDYFFTVJD-NRFANRHFSA-N 0 0 448.546 4.318 40 0 IIABRN CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)n1 ZINC000019694654 556850729 /nfs/dbraw/zinc/85/07/29/556850729.db2.gz MBNMQAZYCBDNQU-IBGZPJMESA-N 0 0 433.531 4.167 40 0 IIABRN CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCN(C(=O)CC3(O)CCCCC3)CC2)n1 ZINC000019695217 556851475 /nfs/dbraw/zinc/85/14/75/556851475.db2.gz MUFZMAQJOYHRJO-UHFFFAOYSA-N 0 0 440.563 4.140 40 0 IIABRN CCn1ccc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)CC2)n1 ZINC000019695248 556851714 /nfs/dbraw/zinc/85/17/14/556851714.db2.gz XASJTAGMDSZTMW-UHFFFAOYSA-N 0 0 438.963 4.099 40 0 IIABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)c2ccc(C(C)C)cc2)c1 ZINC000008995323 556853526 /nfs/dbraw/zinc/85/35/26/556853526.db2.gz VCEOJFHNQPIIPJ-UHFFFAOYSA-N 0 0 438.572 4.180 40 0 IIABRN CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2ccccc2C)n1 ZINC000019700970 556860638 /nfs/dbraw/zinc/86/06/38/556860638.db2.gz DOLCXCZQNLGROJ-IBGZPJMESA-N 0 0 433.531 4.118 40 0 IIABRN CNCc1nc(C)c2c(n1)N(CCc1cn(C3CCCCC3)c3ccccc13)C(=O)CC2 ZINC000019703788 556862504 /nfs/dbraw/zinc/86/25/04/556862504.db2.gz MVIFERRSOXUDHA-UHFFFAOYSA-N 0 0 431.584 4.486 40 0 IIABRN Cc1ccn(C[C@@H](C)C(=O)N2CCC(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)CC2)n1 ZINC000019705854 556863293 /nfs/dbraw/zinc/86/32/93/556863293.db2.gz WHRQZGTZMBSKKD-QGZVFWFLSA-N 0 0 449.530 4.020 40 0 IIABRN Cc1c(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)cnn1C ZINC000019706126 556864241 /nfs/dbraw/zinc/86/42/41/556864241.db2.gz FYZKQYYMRYPURT-QHCPKHFHSA-N 0 0 444.583 4.147 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 ZINC000019706907 556865645 /nfs/dbraw/zinc/86/56/45/556865645.db2.gz VRUAWGPDMPLDNS-IBGZPJMESA-N 0 0 437.588 4.387 40 0 IIABRN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCCN(C(=O)C(C)(C)C)C4)nc32)c1 ZINC000019739384 556877693 /nfs/dbraw/zinc/87/76/93/556877693.db2.gz VVABAVKOMWDZLJ-NRFANRHFSA-N 0 0 448.611 4.367 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2)nc2c1CCC(=O)N2CC(C)C ZINC000019740509 556880476 /nfs/dbraw/zinc/88/04/76/556880476.db2.gz SKKMSVUMNKMZHW-JOCHJYFZSA-N 0 0 434.584 4.407 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019740739 556881459 /nfs/dbraw/zinc/88/14/59/556881459.db2.gz RFDWPNGIBWWCQF-QFIPXVFZSA-N 0 0 441.535 4.027 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc3c(C)nn(-c4ccccn4)c3n2)cc1 ZINC000019742460 556886504 /nfs/dbraw/zinc/88/65/04/556886504.db2.gz UBRIPVFBUNQIFE-QHCPKHFHSA-N 0 0 441.535 4.429 40 0 IIABRN Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)ccc12 ZINC000019743350 556887986 /nfs/dbraw/zinc/88/79/86/556887986.db2.gz MICIZJOEZBNPDK-LJQANCHMSA-N 0 0 441.510 4.362 40 0 IIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408917891 556889170 /nfs/dbraw/zinc/88/91/70/556889170.db2.gz CJLCBNACTOYCSR-LQDNNDEMSA-N 0 0 429.859 4.162 40 0 IIABRN COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c1 ZINC000408919231 556891676 /nfs/dbraw/zinc/89/16/76/556891676.db2.gz VAUWQEGCUFFSCE-UBFBPUDLSA-N 0 0 443.886 4.220 40 0 IIABRN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)CC2)cc1 ZINC000019744944 556891702 /nfs/dbraw/zinc/89/17/02/556891702.db2.gz BPJNVBOHASUFKA-CYBMUJFWSA-N 0 0 447.461 4.041 40 0 IIABRN CCc1ncc(CN2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)cn1 ZINC000019753449 556897153 /nfs/dbraw/zinc/89/71/53/556897153.db2.gz GBNMWWGOUGUOEW-NRFANRHFSA-N 0 0 446.555 4.126 40 0 IIABRN CCN(CC)C(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000408938267 556897215 /nfs/dbraw/zinc/89/72/15/556897215.db2.gz PSCWFHGXAFXFKU-UHFFFAOYSA-N 0 0 429.369 4.053 40 0 IIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000408956262 556900215 /nfs/dbraw/zinc/90/02/15/556900215.db2.gz QEZRGWVDFOZNBG-YRXQGLPXSA-N 0 0 425.234 4.400 40 0 IIABRN COc1ccccc1CCC(=O)N1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761806 556905652 /nfs/dbraw/zinc/90/56/52/556905652.db2.gz IAXKKTWXBHCNMV-FQEVSTJZSA-N 0 0 445.563 4.330 40 0 IIABRN CCOc1ccc(NC(=O)c2ccc(N3C(=O)c4nc5ccccc5nc4C3=O)cc2)cc1 ZINC000408975535 556905940 /nfs/dbraw/zinc/90/59/40/556905940.db2.gz MROXDZUHYOFSLG-UHFFFAOYSA-N 0 0 438.443 4.081 40 0 IIABRN CCn1nc(C)c(CN2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)c1C ZINC000019762383 556906937 /nfs/dbraw/zinc/90/69/37/556906937.db2.gz TTXIHWLKDLEKJI-RUZDIDTESA-N 0 0 449.599 4.027 40 0 IIABRN Cc1nc2cc(C(=O)N3CCC[C@H](c4nc(C)ncc4-c4ccncc4)C3)ccc2n1C ZINC000072334727 556907538 /nfs/dbraw/zinc/90/75/38/556907538.db2.gz CARONWXRXQLGQB-FQEVSTJZSA-N 0 0 426.524 4.062 40 0 IIABRN Cc1noc(C)c1Cc1ccc(C(=O)N2CCC([C@H]3CC(=O)c4ccccc4O3)CC2)o1 ZINC000072336676 556909427 /nfs/dbraw/zinc/90/94/27/556909427.db2.gz UCWOATPCHFTWFK-XMMPIXPASA-N 0 0 434.492 4.361 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)CC3CCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765508 556909978 /nfs/dbraw/zinc/90/99/78/556909978.db2.gz JFLOSFFKOYALGF-FQEVSTJZSA-N 0 0 438.547 4.140 40 0 IIABRN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1[C@@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 ZINC000072337350 556910286 /nfs/dbraw/zinc/91/02/86/556910286.db2.gz FVTBPGBZGXECSY-XVQYUUQNSA-N 0 0 427.863 4.184 40 0 IIABRN Cc1nnsc1C(=O)N1CCC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)C)N3)C1 ZINC000072337807 556910816 /nfs/dbraw/zinc/91/08/16/556910816.db2.gz ZIRRDKRCXDCRQX-GUTXKFCHSA-N 0 0 442.511 4.006 40 0 IIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)[C@@H]4OCCc5ccccc54)C3)cc(C(F)(F)F)n2n1 ZINC000072340948 556913087 /nfs/dbraw/zinc/91/30/87/556913087.db2.gz SVJQNVRIJRFZTR-IIBYNOLFSA-N 0 0 444.457 4.077 40 0 IIABRN CN(CCc1ccccn1)c1nc(-c2ccccn2)nc2c1CN(Cc1ccccc1)CC2 ZINC000072341932 556914401 /nfs/dbraw/zinc/91/44/01/556914401.db2.gz CEWDUDLAQNXDFK-UHFFFAOYSA-N 0 0 436.563 4.171 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)nc1C ZINC000072345506 556916925 /nfs/dbraw/zinc/91/69/25/556916925.db2.gz UGNGGJIYILPRAV-OAQYLSRUSA-N 0 0 426.536 4.093 40 0 IIABRN Cc1cc2nc([C@@H]3CCCCN3C(=O)[C@H](C)n3ncc4ccccc4c3=O)[nH]c2cc1C ZINC000072346801 556917911 /nfs/dbraw/zinc/91/79/11/556917911.db2.gz HWAXCMBRLXSGOD-JTSKRJEESA-N 0 0 429.524 4.204 40 0 IIABRN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(-c4ccccc4)cc2)C3)C[C@H](C)O1 ZINC000072347282 556918342 /nfs/dbraw/zinc/91/83/42/556918342.db2.gz VQAXYGNMBLDPEQ-OALUTQOASA-N 0 0 430.552 4.021 40 0 IIABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)cc1OC ZINC000019816591 556919661 /nfs/dbraw/zinc/91/96/61/556919661.db2.gz QRWACIGBMQJZBP-OAHLLOKOSA-N 0 0 426.542 4.192 40 0 IIABRN NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 ZINC000072349670 556919739 /nfs/dbraw/zinc/91/97/39/556919739.db2.gz IVTZHPSDMZEPQV-FQEVSTJZSA-N 0 0 438.531 4.278 40 0 IIABRN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Cl ZINC000409018414 556919773 /nfs/dbraw/zinc/91/97/73/556919773.db2.gz HHCLRWABSDGXTH-VUFYJBQKSA-N 0 0 441.915 4.357 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000072350037 556919958 /nfs/dbraw/zinc/91/99/58/556919958.db2.gz RDYPSXZKERJMBK-NRFANRHFSA-N 0 0 439.987 4.290 40 0 IIABRN CCOc1ccc(NC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)cc1 ZINC000409015869 556921198 /nfs/dbraw/zinc/92/11/98/556921198.db2.gz PEJIHYYNCXZOLU-UHFFFAOYSA-N 0 0 427.526 4.383 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccs1 ZINC000019820085 556923362 /nfs/dbraw/zinc/92/33/62/556923362.db2.gz MHFFLXSRDKLPCU-NHCUHLMSSA-N 0 0 431.517 4.413 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000019820274 556923672 /nfs/dbraw/zinc/92/36/72/556923672.db2.gz FJIPLVBDYOVJOG-PKTZIBPZSA-N 0 0 443.478 4.491 40 0 IIABRN O=C(Cc1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353120 556925324 /nfs/dbraw/zinc/92/53/24/556925324.db2.gz LOOSAIUPIAAYNS-OAQYLSRUSA-N 0 0 448.498 4.427 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2ccc(Nc3nc(C)cc(C)n3)cn2)c1 ZINC000072353163 556925660 /nfs/dbraw/zinc/92/56/60/556925660.db2.gz OPRKWMQBVQEXGT-QFIPXVFZSA-N 0 0 437.569 4.207 40 0 IIABRN Cc1ccc(CNC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000409026306 556926222 /nfs/dbraw/zinc/92/62/22/556926222.db2.gz LKBFZFSXIISEHW-LJQANCHMSA-N 0 0 438.549 4.258 40 0 IIABRN COc1ccccc1N(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000409027484 556926628 /nfs/dbraw/zinc/92/66/28/556926628.db2.gz DRDUXGYMTWTLHU-UHFFFAOYSA-N 0 0 442.581 4.206 40 0 IIABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353491 556927085 /nfs/dbraw/zinc/92/70/85/556927085.db2.gz AFSRKYBNNFKKDK-LJQANCHMSA-N 0 0 426.524 4.125 40 0 IIABRN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000072353720 556928116 /nfs/dbraw/zinc/92/81/16/556928116.db2.gz VYEROLSWZPEMLQ-SFHVURJKSA-N 0 0 435.959 4.421 40 0 IIABRN Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)n1 ZINC000072353782 556928209 /nfs/dbraw/zinc/92/82/09/556928209.db2.gz XWIQKHBCTZJEOZ-LJQANCHMSA-N 0 0 433.531 4.219 40 0 IIABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cnc(N)nc3C)C2)n1 ZINC000072354051 556928814 /nfs/dbraw/zinc/92/88/14/556928814.db2.gz GISZYMFOIBBAFE-IBGZPJMESA-N 0 0 435.959 4.335 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000072354227 556929615 /nfs/dbraw/zinc/92/96/15/556929615.db2.gz MHKBQVFOIXYOCH-QFIPXVFZSA-N 0 0 439.581 4.462 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072354228 556929619 /nfs/dbraw/zinc/92/96/19/556929619.db2.gz QELBBZRIQJJNPF-JOCHJYFZSA-N 0 0 439.581 4.462 40 0 IIABRN CC(=O)NCc1cnc([C@H]2CCCN2CCOc2ccc(F)cc2)cc1C(F)(F)F ZINC000072356160 556930801 /nfs/dbraw/zinc/93/08/01/556930801.db2.gz PQAZWVPVBWETDZ-HXUWFJFHSA-N 0 0 425.426 4.092 40 0 IIABRN CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1C(F)(F)F ZINC000072356237 556930996 /nfs/dbraw/zinc/93/09/96/556930996.db2.gz SXGNMUBHSMBQNP-FQEVSTJZSA-N 0 0 437.437 4.172 40 0 IIABRN CCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409051994 556933421 /nfs/dbraw/zinc/93/34/21/556933421.db2.gz FQVSAINLUOLYLI-UHFFFAOYSA-N 0 0 429.369 4.101 40 0 IIABRN CC(C)CC(=O)N1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370412 556934859 /nfs/dbraw/zinc/93/48/59/556934859.db2.gz LOQAACOKWRKGDG-SFHVURJKSA-N 0 0 428.598 4.343 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868151 556935074 /nfs/dbraw/zinc/93/50/74/556935074.db2.gz KSMFYTWPESUECQ-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019868002 556935088 /nfs/dbraw/zinc/93/50/88/556935088.db2.gz ANPDNODDGOHOQX-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868359 556935234 /nfs/dbraw/zinc/93/52/34/556935234.db2.gz SBECDCMWXNSWBF-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1c1cc(C)nc(C)n1 ZINC000072370550 556935257 /nfs/dbraw/zinc/93/52/57/556935257.db2.gz KBMBNVDDZGGKPR-SFHVURJKSA-N 0 0 438.597 4.286 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868365 556935261 /nfs/dbraw/zinc/93/52/61/556935261.db2.gz LZRFGASJVGZUIN-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1cnn(C)c1 ZINC000072370632 556935713 /nfs/dbraw/zinc/93/57/13/556935713.db2.gz FYWGJBUMRFAQRN-GOSISDBHSA-N 0 0 438.597 4.401 40 0 IIABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCn1ccc(C)n1 ZINC000072370776 556936491 /nfs/dbraw/zinc/93/64/91/556936491.db2.gz DNDDOJCTZCZBRI-LJQANCHMSA-N 0 0 438.597 4.170 40 0 IIABRN COc1cccc(OCCc2cc([C@H]3CCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)[nH]n2)c1 ZINC000072371609 556939746 /nfs/dbraw/zinc/93/97/46/556939746.db2.gz SYPOJWDLTXTRRA-IBGZPJMESA-N 0 0 444.535 4.459 40 0 IIABRN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3c(C)onc3C(C)C)C2)[nH]n1 ZINC000072371656 556940115 /nfs/dbraw/zinc/94/01/15/556940115.db2.gz TXZGHOVVLBIJAX-QGZVFWFLSA-N 0 0 438.528 4.089 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000072371830 556941054 /nfs/dbraw/zinc/94/10/54/556941054.db2.gz FOJQIWFQWXEUAR-QFIPXVFZSA-N 0 0 434.584 4.407 40 0 IIABRN COc1cccc(NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409065904 556941573 /nfs/dbraw/zinc/94/15/73/556941573.db2.gz VEPKPWVTVQURPL-UHFFFAOYSA-N 0 0 438.549 4.142 40 0 IIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2cc(Nc3cnccn3)cc(C)n2)cc1 ZINC000072372683 556943746 /nfs/dbraw/zinc/94/37/46/556943746.db2.gz SDENRWDTEDHZLQ-JOCHJYFZSA-N 0 0 447.539 4.453 40 0 IIABRN CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)nnc1-c1ccc(Br)cc1 ZINC000019927691 556945390 /nfs/dbraw/zinc/94/53/90/556945390.db2.gz RFJNBLPJCPTWGS-JGGQBBKZSA-N 0 0 435.391 4.124 40 0 IIABRN Cc1nc2ccccc2n1Cc1cc(NCC2(c3cccc(C)c3)CCOCC2)nc(N)n1 ZINC000072373288 556946107 /nfs/dbraw/zinc/94/61/07/556946107.db2.gz OCQVHOQCFOUBCJ-UHFFFAOYSA-N 0 0 442.567 4.234 40 0 IIABRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)cc1 ZINC000019929216 556947449 /nfs/dbraw/zinc/94/74/49/556947449.db2.gz 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CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3)n2)s1 ZINC000072375607 556952083 /nfs/dbraw/zinc/95/20/83/556952083.db2.gz OVRAKCFJDDHGLQ-KRWDZBQOSA-N 0 0 427.505 4.121 40 0 IIABRN CCc1nnc(Nc2cccc(C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)n2)s1 ZINC000072376135 556954191 /nfs/dbraw/zinc/95/41/91/556954191.db2.gz WCFNUHJBXZADCY-UHFFFAOYSA-N 0 0 440.548 4.196 40 0 IIABRN COc1ccccc1S(=O)(=O)N1CCC[C@@H](c2cccc(Nc3ncccc3C)n2)C1 ZINC000072376115 556954298 /nfs/dbraw/zinc/95/42/98/556954298.db2.gz QQERNHWIQNMIEE-GOSISDBHSA-N 0 0 438.553 4.106 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2F)cs1 ZINC000072376630 556955486 /nfs/dbraw/zinc/95/54/86/556955486.db2.gz CYDYBSGTGNNJNM-IBGZPJMESA-N 0 0 425.533 4.020 40 0 IIABRN Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000072377225 556955947 /nfs/dbraw/zinc/95/59/47/556955947.db2.gz IDRMQQUFZKJIHH-LJQANCHMSA-N 0 0 425.920 4.280 40 0 IIABRN CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072377144 556956007 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CC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220741164 557310763 /nfs/dbraw/zinc/31/07/63/557310763.db2.gz MVBFVLVBKIQXKB-NHCUHLMSSA-N 0 0 434.989 4.387 40 0 IIABRN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000113972744 557311883 /nfs/dbraw/zinc/31/18/83/557311883.db2.gz YTUPUCVCJYKHGX-UGKGYDQZSA-N 0 0 447.000 4.076 40 0 IIABRN CCCNC(=O)CN1C(=O)S/C(=C\c2c(OCC)ccc3ccc(OCC)cc32)C1=O ZINC000409199187 557323352 /nfs/dbraw/zinc/32/33/52/557323352.db2.gz BRUKRBWZUUAOBD-MOSHPQCFSA-N 0 0 442.537 4.200 40 0 IIABRN Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)n1 ZINC000024196128 557323395 /nfs/dbraw/zinc/32/33/95/557323395.db2.gz AZPWZRYACBUSNM-UHFFFAOYSA-N 0 0 436.566 4.442 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1cnsn1 ZINC000013494318 557325614 /nfs/dbraw/zinc/32/56/14/557325614.db2.gz FDDSBCRUVNTWFE-QHCPKHFHSA-N 0 0 448.592 4.413 40 0 IIABRN CCOCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498064 557327209 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437.569 4.220 40 0 IIABRN Cc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2cccnc2)cc1C ZINC000013513288 557334526 /nfs/dbraw/zinc/33/45/26/557334526.db2.gz HAKUUCDTHJAZCP-UHFFFAOYSA-N 0 0 435.578 4.416 40 0 IIABRN COc1ccc(NC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000222380038 557336818 /nfs/dbraw/zinc/33/68/18/557336818.db2.gz AYMZKDUWHSHQCQ-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN Cc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)no1 ZINC000013502575 557337643 /nfs/dbraw/zinc/33/76/43/557337643.db2.gz FQKGFUILKVBRIH-UHFFFAOYSA-N 0 0 440.554 4.122 40 0 IIABRN CCN(c1ccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1)S(=O)(=O)CC ZINC000222402073 557338163 /nfs/dbraw/zinc/33/81/63/557338163.db2.gz UDOLWVVJKZOMQU-QFIPXVFZSA-N 0 0 432.586 4.388 40 0 IIABRN CCOC(=O)COc1c(Cl)cc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCC ZINC000013564643 557340634 /nfs/dbraw/zinc/34/06/34/557340634.db2.gz BXHGKTILPJFKRH-NTEUORMPSA-N 0 0 435.885 4.087 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(Cl)cc1 ZINC000222491805 557343238 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4.359 40 0 IIABRN COc1ccc([C@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000222549770 557349888 /nfs/dbraw/zinc/34/98/88/557349888.db2.gz ZHBHAXUZXGBLHG-SFHVURJKSA-N 0 0 438.549 4.320 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000222555095 557350984 /nfs/dbraw/zinc/35/09/84/557350984.db2.gz GMWOCCUFIPDRQT-NRFANRHFSA-N 0 0 432.948 4.059 40 0 IIABRN COc1ccc(NC(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000013555586 557351357 /nfs/dbraw/zinc/35/13/57/557351357.db2.gz VOVXSEMDOSIKOF-OAQYLSRUSA-N 0 0 437.496 4.171 40 0 IIABRN CCOc1cc(NC(=S)NCc2ccco2)c(OCC)cc1NC(=O)c1ccco1 ZINC000013556542 557351485 /nfs/dbraw/zinc/35/14/85/557351485.db2.gz ODUFWGFYXBTOHL-UHFFFAOYSA-N 0 0 429.498 4.409 40 0 IIABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000044792409 557351837 /nfs/dbraw/zinc/35/18/37/557351837.db2.gz APQHXQCSIBEGAI-UHFFFAOYSA-N 0 0 440.487 4.303 40 0 IIABRN FC(F)(F)c1cccc([C@H](c2nnnn2CCc2ccccc2)N2CCSCC2)c1 ZINC000013561838 557352279 /nfs/dbraw/zinc/35/22/79/557352279.db2.gz MFENNCGFEIZCGL-LJQANCHMSA-N 0 0 433.503 4.073 40 0 IIABRN Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 ZINC000222566136 557353296 /nfs/dbraw/zinc/35/32/96/557353296.db2.gz JDYQUCFSBRLGHT-UHFFFAOYSA-N 0 0 439.375 4.251 40 0 IIABRN Cc1cc(C)cc(N(CCCC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 ZINC000222569149 557353665 /nfs/dbraw/zinc/35/36/65/557353665.db2.gz CPRYANMBDRWSCZ-UHFFFAOYSA-N 0 0 426.648 4.032 40 0 IIABRN Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1N1CCCCS1(=O)=O ZINC000222573678 557354437 /nfs/dbraw/zinc/35/44/37/557354437.db2.gz PMHWUQGMVSBQDO-UHFFFAOYSA-N 0 0 428.554 4.499 40 0 IIABRN COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000222604885 557360368 /nfs/dbraw/zinc/36/03/68/557360368.db2.gz AIJXMBLSORCQFZ-SFHVURJKSA-N 0 0 446.613 4.416 40 0 IIABRN CC[C@@H](NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000222607561 557360891 /nfs/dbraw/zinc/36/08/91/557360891.db2.gz MWVRZUBNEAXJPK-JOCHJYFZSA-N 0 0 432.586 4.126 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)Nc1c(CC)cccc1CC)S(C)(=O)=O ZINC000222612053 557361546 /nfs/dbraw/zinc/36/15/46/557361546.db2.gz OEIIYSWNXPUWSZ-UHFFFAOYSA-N 0 0 432.586 4.395 40 0 IIABRN CCc1ccc(N(CCCC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000222639050 557366995 /nfs/dbraw/zinc/36/69/95/557366995.db2.gz UKKQDFIAJZMLED-UHFFFAOYSA-N 0 0 439.375 4.196 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000222644049 557367702 /nfs/dbraw/zinc/36/77/02/557367702.db2.gz OHJRQJBCQMAMJB-QFIPXVFZSA-N 0 0 428.548 4.462 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1C ZINC000222681930 557373542 /nfs/dbraw/zinc/37/35/42/557373542.db2.gz QPCVFEUHYKOIME-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C ZINC000222685527 557374104 /nfs/dbraw/zinc/37/41/04/557374104.db2.gz TUOGXAJKHICAFK-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1 ZINC000013608563 557376795 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IIABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)c1ccc(C)cc1 ZINC000113971989 557384669 /nfs/dbraw/zinc/38/46/69/557384669.db2.gz ZEWYAAWMTWOARD-IRLDBZIGSA-N 0 0 449.016 4.458 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl ZINC000222768314 557384746 /nfs/dbraw/zinc/38/47/46/557384746.db2.gz LGCFCBZQFKYOKZ-UHFFFAOYSA-N 0 0 437.348 4.229 40 0 IIABRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)COc1cccc(Cl)c1 ZINC000222773123 557385379 /nfs/dbraw/zinc/38/53/79/557385379.db2.gz VHUIKMWBAXGOJF-UHFFFAOYSA-N 0 0 436.693 4.190 40 0 IIABRN CCN1CCN(C(=O)c2cc3ccccc3o2)[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000072351510 557385680 /nfs/dbraw/zinc/38/56/80/557385680.db2.gz JUYDMHSUSOKAEC-QHCPKHFHSA-N 0 0 439.515 4.410 40 0 IIABRN CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222789591 557387085 /nfs/dbraw/zinc/38/70/85/557387085.db2.gz GXNNBRKESIGZFV-NRFANRHFSA-N 0 0 430.957 4.354 40 0 IIABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1OC ZINC000222805892 557388652 /nfs/dbraw/zinc/38/86/52/557388652.db2.gz UCKQTSOEXANHHT-QGZVFWFLSA-N 0 0 446.975 4.089 40 0 IIABRN Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)Cc3ccc(F)cc3)nc21 ZINC000072371046 557388661 /nfs/dbraw/zinc/38/86/61/557388661.db2.gz YZZTUOJLWDQBFZ-UHFFFAOYSA-N 0 0 448.542 4.223 40 0 IIABRN CSc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1NC(=O)C(C)C ZINC000222846177 557393107 /nfs/dbraw/zinc/39/31/07/557393107.db2.gz HPIJNAAUDLHILY-UHFFFAOYSA-N 0 0 430.661 4.347 40 0 IIABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1OC ZINC000013841888 557394880 /nfs/dbraw/zinc/39/48/80/557394880.db2.gz TZWAJQDMJXSLOQ-UHFFFAOYSA-N 0 0 432.933 4.270 40 0 IIABRN Cc1cccc(CNC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000222856098 557395063 /nfs/dbraw/zinc/39/50/63/557395063.db2.gz YDNSBRWKSKAGMK-FQEVSTJZSA-N 0 0 436.577 4.284 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000222864039 557395576 /nfs/dbraw/zinc/39/55/76/557395576.db2.gz UEFOQIFTTCCZSH-LJQANCHMSA-N 0 0 434.561 4.076 40 0 IIABRN CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000222869555 557396339 /nfs/dbraw/zinc/39/63/39/557396339.db2.gz XKVCJEZPTQFWIE-QGZVFWFLSA-N 0 0 430.302 4.315 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCOc4ccccc43)cc2)cc1 ZINC000222875343 557396607 /nfs/dbraw/zinc/39/66/07/557396607.db2.gz FJWJDQXRTJCBGD-UHFFFAOYSA-N 0 0 436.533 4.154 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc21)c1cccc(Cl)c1 ZINC000222878379 557396958 /nfs/dbraw/zinc/39/69/58/557396958.db2.gz GWSIPJLGIXBNLP-UHFFFAOYSA-N 0 0 430.957 4.356 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)NCc2cccc3ccccc32)S(C)(=O)=O)cc1Cl ZINC000222883037 557397736 /nfs/dbraw/zinc/39/77/36/557397736.db2.gz SLUKBWHTCCTBPN-INIZCTEOSA-N 0 0 430.957 4.273 40 0 IIABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)c(Cl)c3)ccc21 ZINC000222898562 557400427 /nfs/dbraw/zinc/40/04/27/557400427.db2.gz LBCGHYKPPDHXHU-UHFFFAOYSA-N 0 0 443.750 4.202 40 0 IIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2cccc(OC)c2OC)cc1 ZINC000013995428 557402009 /nfs/dbraw/zinc/40/20/09/557402009.db2.gz QEYUZLPWQTXZRV-QKKBWIMNSA-N 0 0 439.537 4.370 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222934544 557405068 /nfs/dbraw/zinc/40/50/68/557405068.db2.gz RBLHKICZFWEXIK-QFIPXVFZSA-N 0 0 430.976 4.402 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1c(F)cccc1Cl ZINC000222940113 557406050 /nfs/dbraw/zinc/40/60/50/557406050.db2.gz JZAWTYFBUTZRMX-AWEZNQCLSA-N 0 0 440.943 4.405 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222944571 557406859 /nfs/dbraw/zinc/40/68/59/557406859.db2.gz CAROFNCKLLBGLM-GOSISDBHSA-N 0 0 426.582 4.149 40 0 IIABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1 ZINC000222945195 557406924 /nfs/dbraw/zinc/40/69/24/557406924.db2.gz KJMSYHFPQHPVKW-FGZHOGPDSA-N 0 0 434.565 4.287 40 0 IIABRN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 ZINC000222980328 557410736 /nfs/dbraw/zinc/41/07/36/557410736.db2.gz HDVYJZKEGALCIT-GOSISDBHSA-N 0 0 436.577 4.217 40 0 IIABRN C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc2c(c1)CCCC2 ZINC000222981316 557411035 /nfs/dbraw/zinc/41/10/35/557411035.db2.gz CDEQRMMKQNYTRD-CQSZACIVSA-N 0 0 435.305 4.426 40 0 IIABRN O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)NCCc1c[nH]c2ccccc12 ZINC000033582138 557413924 /nfs/dbraw/zinc/41/39/24/557413924.db2.gz JHXQJGQREFDNTI-YBFXNURJSA-N 0 0 439.924 4.217 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223019126 557416222 /nfs/dbraw/zinc/41/62/22/557416222.db2.gz MPJZVWHZDVTNFL-QGZVFWFLSA-N 0 0 431.374 4.162 40 0 IIABRN CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Br)cc1 ZINC000014081336 557418640 /nfs/dbraw/zinc/41/86/40/557418640.db2.gz JAWJEILVCXABDG-UHFFFAOYSA-N 0 0 431.359 4.136 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223033328 557418706 /nfs/dbraw/zinc/41/87/06/557418706.db2.gz CNIWXCRFCNFQRY-KRWDZBQOSA-N 0 0 431.374 4.162 40 0 IIABRN CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223036474 557419186 /nfs/dbraw/zinc/41/91/86/557419186.db2.gz NEPLUXCBMWHQAE-QHCPKHFHSA-N 0 0 428.598 4.216 40 0 IIABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223037183 557419228 /nfs/dbraw/zinc/41/92/28/557419228.db2.gz QRPJWIDEBZDMMY-NRFANRHFSA-N 0 0 434.989 4.252 40 0 IIABRN CCOc1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)n1CC ZINC000014121494 557420628 /nfs/dbraw/zinc/42/06/28/557420628.db2.gz BBDAMOYSABYHLY-UHFFFAOYSA-N 0 0 426.542 4.315 40 0 IIABRN COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)c1 ZINC000014137226 557422975 /nfs/dbraw/zinc/42/29/75/557422975.db2.gz ACVPBYRCDLMBNB-UHFFFAOYSA-N 0 0 445.850 4.155 40 0 IIABRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1ccc(Cl)cc1 ZINC000014137188 557423060 /nfs/dbraw/zinc/42/30/60/557423060.db2.gz WFSBPTQQDXACFQ-UHFFFAOYSA-N 0 0 430.917 4.136 40 0 IIABRN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)c(C)c1 ZINC000014155759 557427481 /nfs/dbraw/zinc/42/74/81/557427481.db2.gz QCSBQXWGOOZUDL-UHFFFAOYSA-N 0 0 429.929 4.083 40 0 IIABRN COc1ccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223080383 557427725 /nfs/dbraw/zinc/42/77/25/557427725.db2.gz IGPFEWOABHTQFR-IBGZPJMESA-N 0 0 426.557 4.186 40 0 IIABRN COc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223083865 557428435 /nfs/dbraw/zinc/42/84/35/557428435.db2.gz MQMLFVTYAJKQFG-LJQANCHMSA-N 0 0 426.557 4.023 40 0 IIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1 ZINC000223091112 557429883 /nfs/dbraw/zinc/42/98/83/557429883.db2.gz IUORQJVFAJEZTP-HXUWFJFHSA-N 0 0 428.554 4.174 40 0 IIABRN CCOc1cc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC ZINC000014271394 557430737 /nfs/dbraw/zinc/43/07/37/557430737.db2.gz UKLZPCXMNKOSTO-UHFFFAOYSA-N 0 0 446.613 4.456 40 0 IIABRN Cc1cc(OCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc(C)c1Cl ZINC000014271929 557431222 /nfs/dbraw/zinc/43/12/22/557431222.db2.gz SBIRSNDPDFUZJE-UHFFFAOYSA-N 0 0 448.819 4.380 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223113425 557433249 /nfs/dbraw/zinc/43/32/49/557433249.db2.gz CHCCQPMYKSPPRM-JOCHJYFZSA-N 0 0 446.638 4.321 40 0 IIABRN CCN1CCN(c2c(Cl)cccc2NC(=O)c2c(F)c(F)c(OC)c(F)c2F)CC1 ZINC000014273708 557433280 /nfs/dbraw/zinc/43/32/80/557433280.db2.gz WQSKFQNYHFXGFJ-UHFFFAOYSA-N 0 0 445.844 4.299 40 0 IIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Cl)cc1C ZINC000014291370 557434546 /nfs/dbraw/zinc/43/45/46/557434546.db2.gz IWLZIQOWDNBWSR-UHFFFAOYSA-N 0 0 443.916 4.149 40 0 IIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC(C)C ZINC000223121576 557434589 /nfs/dbraw/zinc/43/45/89/557434589.db2.gz BGBPAWLILOIFBA-QHCPKHFHSA-N 0 0 430.976 4.231 40 0 IIABRN Brc1ccccc1-c1nnc(SCCN2CCOCC2)n1-c1ccccc1 ZINC000026067876 557435729 /nfs/dbraw/zinc/43/57/29/557435729.db2.gz LMSQQTVPCWCCAE-UHFFFAOYSA-N 0 0 445.386 4.121 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000223128955 557435886 /nfs/dbraw/zinc/43/58/86/557435886.db2.gz NQMDSWFZRDDOTK-VWLOTQADSA-N 0 0 444.575 4.458 40 0 IIABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000014398287 557435920 /nfs/dbraw/zinc/43/59/20/557435920.db2.gz YXQHYJDODOPLQW-UHFFFAOYSA-N 0 0 441.597 4.494 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)c1 ZINC000014398399 557436303 /nfs/dbraw/zinc/43/63/03/557436303.db2.gz SIXOURROPCFIKJ-INIZCTEOSA-N 0 0 428.485 4.341 40 0 IIABRN CC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223137101 557437631 /nfs/dbraw/zinc/43/76/31/557437631.db2.gz UFHUZCJUUGSDKH-JOCHJYFZSA-N 0 0 449.016 4.248 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 ZINC000223142351 557438337 /nfs/dbraw/zinc/43/83/37/557438337.db2.gz IWLLCEBJMOMZRH-IRXDYDNUSA-N 0 0 447.373 4.160 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223173718 557441570 /nfs/dbraw/zinc/44/15/70/557441570.db2.gz UWRFHGFZLWNTPD-HXUWFJFHSA-N 0 0 449.938 4.007 40 0 IIABRN Cc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1C ZINC000223190300 557443587 /nfs/dbraw/zinc/44/35/87/557443587.db2.gz RACWHDRWWSHMPU-IBGZPJMESA-N 0 0 428.598 4.216 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000014411311 557444410 /nfs/dbraw/zinc/44/44/10/557444410.db2.gz GZJQDHRGGDPMOR-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000223194563 557444484 /nfs/dbraw/zinc/44/44/84/557444484.db2.gz OCSYWYAXIZNBIN-HNNXBMFYSA-N 0 0 432.973 4.104 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223195904 557444675 /nfs/dbraw/zinc/44/46/75/557444675.db2.gz CZUPHWQOLZCUNF-KRWDZBQOSA-N 0 0 427.303 4.065 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 ZINC000223201653 557445368 /nfs/dbraw/zinc/44/53/68/557445368.db2.gz DKLOLWIXOGWANU-IRXDYDNUSA-N 0 0 447.373 4.160 40 0 IIABRN COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000014400429 557445906 /nfs/dbraw/zinc/44/59/06/557445906.db2.gz IRZWKAOJNAQUAL-UHFFFAOYSA-N 0 0 432.520 4.465 40 0 IIABRN CSc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C(=O)N1CCCCC1 ZINC000026116589 557446010 /nfs/dbraw/zinc/44/60/10/557446010.db2.gz BEWJZUODIQTPHB-UHFFFAOYSA-N 0 0 426.510 4.114 40 0 IIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000223217101 557447186 /nfs/dbraw/zinc/44/71/86/557447186.db2.gz NCXJAAWGLBPBHX-JWGURIENSA-N 0 0 429.476 4.124 40 0 IIABRN Cc1nn2c(nnc(C(=O)N3CCN(c4ccccc4)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000014607672 557447744 /nfs/dbraw/zinc/44/77/44/557447744.db2.gz PHDRHRLMWGNUHX-UHFFFAOYSA-N 0 0 446.942 4.024 40 0 IIABRN COCc1nn2c(nnc3c2C[C@@H](c2ccccc2O)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014607741 557447787 /nfs/dbraw/zinc/44/77/87/557447787.db2.gz SBALKVSBPWGPJD-CQSZACIVSA-N 0 0 434.883 4.209 40 0 IIABRN C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc4c(c3)OCCO4)c3cccc1c32 ZINC000014671825 557448955 /nfs/dbraw/zinc/44/89/55/557448955.db2.gz ZKRMYSWKIVRADP-SHACYNPGSA-N 0 0 436.533 4.023 40 0 IIABRN C[C@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc4c(c3)OCCO4)c3cccc1c32 ZINC000014671828 557449023 /nfs/dbraw/zinc/44/90/23/557449023.db2.gz ZKRMYSWKIVRADP-LFPIHBKWSA-N 0 0 436.533 4.023 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223255435 557451529 /nfs/dbraw/zinc/45/15/29/557451529.db2.gz MNZCZSCYTXGEBC-CVEARBPZSA-N 0 0 449.364 4.463 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223268699 557453656 /nfs/dbraw/zinc/45/36/56/557453656.db2.gz SQSBTSBUYJCNOD-XMMPIXPASA-N 0 0 434.536 4.345 40 0 IIABRN C[C@H]1Cc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2N1C(=O)c1ccccc1 ZINC000223269350 557453806 /nfs/dbraw/zinc/45/38/06/557453806.db2.gz PNTLQZRDFMYAJL-SFHVURJKSA-N 0 0 432.545 4.420 40 0 IIABRN O=C(NC[C@H]1CC[C@H](C(=O)Oc2ccc3ccc(=O)oc3c2)CC1)OCc1ccccc1 ZINC000100767642 557455121 /nfs/dbraw/zinc/45/51/21/557455121.db2.gz KRBGBZCKRIMCBX-MSEWRSJXSA-N 0 0 435.476 4.431 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223315044 557458242 /nfs/dbraw/zinc/45/82/42/557458242.db2.gz UYDZPEPUUBVPKP-OAQYLSRUSA-N 0 0 446.975 4.450 40 0 IIABRN CCOc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223335434 557460211 /nfs/dbraw/zinc/46/02/11/557460211.db2.gz UGMWBCUUZCAISQ-HKWRFOASSA-N 0 0 436.464 4.105 40 0 IIABRN Cc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000015398059 557461542 /nfs/dbraw/zinc/46/15/42/557461542.db2.gz AEBGPIZXTATROA-UHFFFAOYSA-N 0 0 428.941 4.160 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223359286 557462352 /nfs/dbraw/zinc/46/23/52/557462352.db2.gz FJUOIAHWKRTWLJ-RBUKOAKNSA-N 0 0 446.613 4.467 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223371372 557463729 /nfs/dbraw/zinc/46/37/29/557463729.db2.gz WNFQMLYHIVRFMS-IBGZPJMESA-N 0 0 437.005 4.331 40 0 IIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCc5ccccc54)ccc32)cc1 ZINC000223378027 557464882 /nfs/dbraw/zinc/46/48/82/557464882.db2.gz CDWDGERIFKXHRM-UHFFFAOYSA-N 0 0 432.545 4.339 40 0 IIABRN COC(=O)c1ccc(Nc2ccc(OC)cc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223411857 557468672 /nfs/dbraw/zinc/46/86/72/557468672.db2.gz YFYWIJIAQPJUHS-UHFFFAOYSA-N 0 0 426.494 4.335 40 0 IIABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000016071092 557469263 /nfs/dbraw/zinc/46/92/63/557469263.db2.gz LLUKUFZECKEUPT-UHFFFAOYSA-N 0 0 446.569 4.058 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1Cl ZINC000223418556 557469674 /nfs/dbraw/zinc/46/96/74/557469674.db2.gz LKBRJWVXMHNXEA-FQEVSTJZSA-N 0 0 434.989 4.135 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223419221 557469964 /nfs/dbraw/zinc/46/99/64/557469964.db2.gz KDUQAVOIJNGVTH-FQEVSTJZSA-N 0 0 434.989 4.384 40 0 IIABRN COc1ccc(Br)cc1S(=O)(=O)NCCSc1ccc(Cl)cc1 ZINC000223425580 557471078 /nfs/dbraw/zinc/47/10/78/557471078.db2.gz NRBVQTOGQJKYHU-UHFFFAOYSA-N 0 0 436.780 4.182 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000223457954 557474407 /nfs/dbraw/zinc/47/44/07/557474407.db2.gz HBNCKOIJEMBUMB-HXUWFJFHSA-N 0 0 426.557 4.024 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223457689 557474452 /nfs/dbraw/zinc/47/44/52/557474452.db2.gz WNIOVWAVNHUWKQ-GOSISDBHSA-N 0 0 446.975 4.369 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C ZINC000017096509 557476671 /nfs/dbraw/zinc/47/66/71/557476671.db2.gz VLDPLIKCNNIWHV-UHFFFAOYSA-N 0 0 429.501 4.231 40 0 IIABRN C[C@@H](CNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000223478680 557476909 /nfs/dbraw/zinc/47/69/09/557476909.db2.gz MLQXRWSORDBXIA-SFHVURJKSA-N 0 0 442.968 4.455 40 0 IIABRN CCCC[C@H](CC)CNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223486458 557478072 /nfs/dbraw/zinc/47/80/72/557478072.db2.gz HLKFEKZSEDCMPJ-IBGZPJMESA-N 0 0 432.586 4.223 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1Br ZINC000017097373 557478767 /nfs/dbraw/zinc/47/87/67/557478767.db2.gz ZHAKVGDHOKFECS-UHFFFAOYSA-N 0 0 431.311 4.443 40 0 IIABRN COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223494483 557479268 /nfs/dbraw/zinc/47/92/68/557479268.db2.gz FOZDWPXFVWXGQD-SANMLTNESA-N 0 0 448.538 4.291 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223506426 557480159 /nfs/dbraw/zinc/48/01/59/557480159.db2.gz WEHSQLQPFUVABP-SFHVURJKSA-N 0 0 446.588 4.401 40 0 IIABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C(N)=O)C1 ZINC000017098574 557481506 /nfs/dbraw/zinc/48/15/06/557481506.db2.gz HJIGVYOFNUBBFN-GFCCVEGCSA-N 0 0 433.574 4.264 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccccn1 ZINC000223522371 557481916 /nfs/dbraw/zinc/48/19/16/557481916.db2.gz SEGLYVYLLIDAGD-SJORKVTESA-N 0 0 431.384 4.473 40 0 IIABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)nc1 ZINC000223525809 557482231 /nfs/dbraw/zinc/48/22/31/557482231.db2.gz STBFVTASFCVUBI-PKTZIBPZSA-N 0 0 426.549 4.143 40 0 IIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccnc1 ZINC000223526756 557482319 /nfs/dbraw/zinc/48/23/19/557482319.db2.gz HXEAEWWNBGAWJY-ZEQRLZLVSA-N 0 0 440.576 4.452 40 0 IIABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccn1 ZINC000223527854 557482440 /nfs/dbraw/zinc/48/24/40/557482440.db2.gz LKMLLQPDLFWAIR-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1cccnc1 ZINC000223529657 557482606 /nfs/dbraw/zinc/48/26/06/557482606.db2.gz ANALLVQRWNZXAF-DHIUTWEWSA-N 0 0 426.549 4.143 40 0 IIABRN CCOC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1NC(=O)c1ccc(Cl)cc1 ZINC000017099721 557483531 /nfs/dbraw/zinc/48/35/31/557483531.db2.gz WKIIIFYVRKTLCG-UHFFFAOYSA-N 0 0 435.871 4.182 40 0 IIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223545572 557484071 /nfs/dbraw/zinc/48/40/71/557484071.db2.gz NAISUWJNMHRZJJ-NRFANRHFSA-N 0 0 440.584 4.230 40 0 IIABRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223548039 557484398 /nfs/dbraw/zinc/48/43/98/557484398.db2.gz ZXQZPEGXPCUACA-RPWUZVMVSA-N 0 0 441.560 4.449 40 0 IIABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 ZINC000223570928 557487406 /nfs/dbraw/zinc/48/74/06/557487406.db2.gz DDQULNDQEVELNK-SANMLTNESA-N 0 0 446.547 4.370 40 0 IIABRN CCOc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223580345 557488442 /nfs/dbraw/zinc/48/84/42/557488442.db2.gz UWEQQZDOVHBONB-UHFFFAOYSA-N 0 0 444.597 4.286 40 0 IIABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4)c(C)c3)nn12 ZINC000017100583 557489126 /nfs/dbraw/zinc/48/91/26/557489126.db2.gz VFWOPCFLSOJNKB-UHFFFAOYSA-N 0 0 436.566 4.159 40 0 IIABRN OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223591913 557489927 /nfs/dbraw/zinc/48/99/27/557489927.db2.gz CYAVQQKOKLHCSF-RBUKOAKNSA-N 0 0 444.354 4.069 40 0 IIABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000223597292 557490384 /nfs/dbraw/zinc/49/03/84/557490384.db2.gz CBSCRALZBCPGLT-UHFFFAOYSA-N 0 0 443.396 4.201 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1OC ZINC000223609102 557491309 /nfs/dbraw/zinc/49/13/09/557491309.db2.gz JYHVZYCMPOZEOI-OAQYLSRUSA-N 0 0 426.557 4.106 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223629316 557494077 /nfs/dbraw/zinc/49/40/77/557494077.db2.gz IUBJNLGQWCTKPP-FQEVSTJZSA-N 0 0 440.584 4.278 40 0 IIABRN CC(C)c1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000223633570 557494617 /nfs/dbraw/zinc/49/46/17/557494617.db2.gz WBAGLMAWCCIZLA-UHFFFAOYSA-N 0 0 446.613 4.069 40 0 IIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223647381 557496783 /nfs/dbraw/zinc/49/67/83/557496783.db2.gz DVKBWQKWTNDRCA-UHFFFAOYSA-N 0 0 432.716 4.316 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000026765300 557497335 /nfs/dbraw/zinc/49/73/35/557497335.db2.gz ACNKSJYKBXJUHN-UHFFFAOYSA-N 0 0 439.375 4.051 40 0 IIABRN CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1 ZINC000223652720 557497525 /nfs/dbraw/zinc/49/75/25/557497525.db2.gz ZUWXAKIFKXGYAW-UHFFFAOYSA-N 0 0 438.505 4.389 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC ZINC000223655846 557497964 /nfs/dbraw/zinc/49/79/64/557497964.db2.gz CCAQPAGBRJBLSV-NRFANRHFSA-N 0 0 426.557 4.106 40 0 IIABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000223687798 557502523 /nfs/dbraw/zinc/50/25/23/557502523.db2.gz BHEVZCZETSVXTN-ZDUSSCGKSA-N 0 0 442.931 4.457 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Cl ZINC000019637569 557503238 /nfs/dbraw/zinc/50/32/38/557503238.db2.gz YRGGZTFDPVRBFS-UHFFFAOYSA-N 0 0 442.972 4.417 40 0 IIABRN Cc1ccc(N(CCCC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1 ZINC000223719014 557505770 /nfs/dbraw/zinc/50/57/70/557505770.db2.gz OQWWJDKHCPOYEC-UHFFFAOYSA-N 0 0 446.613 4.034 40 0 IIABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 ZINC000223724843 557506580 /nfs/dbraw/zinc/50/65/80/557506580.db2.gz MTASCUPMCGRBGM-OXQOHEQNSA-N 0 0 448.560 4.179 40 0 IIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 ZINC000223747422 557508611 /nfs/dbraw/zinc/50/86/11/557508611.db2.gz PNWHKUVVLDGGKM-PKTZIBPZSA-N 0 0 427.533 4.453 40 0 IIABRN CCc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223768674 557510751 /nfs/dbraw/zinc/51/07/51/557510751.db2.gz YRZYMXQEICJOOD-HXUWFJFHSA-N 0 0 436.577 4.364 40 0 IIABRN Fc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1 ZINC000020143307 557515930 /nfs/dbraw/zinc/51/59/30/557515930.db2.gz GEKYGCMWODMRGE-QHCPKHFHSA-N 0 0 448.571 4.028 40 0 IIABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)nc1 ZINC000223847544 557520276 /nfs/dbraw/zinc/52/02/76/557520276.db2.gz FHRXDHSMNASDIM-GOTSBHOMSA-N 0 0 427.533 4.458 40 0 IIABRN CC[C@@H](NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223869533 557523293 /nfs/dbraw/zinc/52/32/93/557523293.db2.gz RTUWSJROUCJGFX-JOCHJYFZSA-N 0 0 446.613 4.434 40 0 IIABRN Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223869484 557523314 /nfs/dbraw/zinc/52/33/14/557523314.db2.gz FPDVIZXYHAYWSI-DHIUTWEWSA-N 0 0 428.517 4.461 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccccc1 ZINC000223891331 557525722 /nfs/dbraw/zinc/52/57/22/557525722.db2.gz HFFXRKPFJCIRSL-QGZVFWFLSA-N 0 0 431.374 4.325 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223892383 557525953 /nfs/dbraw/zinc/52/59/53/557525953.db2.gz IGFDNPMPPCTGMC-GOSISDBHSA-N 0 0 426.532 4.243 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2ccccc2F)cc1C(=O)N1CCCCCC1 ZINC000223893709 557526261 /nfs/dbraw/zinc/52/62/61/557526261.db2.gz WQTCDIUJBJQWJB-UHFFFAOYSA-N 0 0 436.574 4.042 40 0 IIABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000223917292 557528558 /nfs/dbraw/zinc/52/85/58/557528558.db2.gz MASLXYGEGZLROD-SFHVURJKSA-N 0 0 442.581 4.146 40 0 IIABRN Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223919778 557528962 /nfs/dbraw/zinc/52/89/62/557528962.db2.gz NSMMFTZQUZEVFN-RTWAWAEBSA-N 0 0 436.606 4.465 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000223967055 557535913 /nfs/dbraw/zinc/53/59/13/557535913.db2.gz CWHUWWOPUJUUGK-MRXNPFEDSA-N 0 0 434.989 4.135 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223967745 557535941 /nfs/dbraw/zinc/53/59/41/557535941.db2.gz JDZMKWTZGMUHSH-MRXNPFEDSA-N 0 0 434.989 4.384 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1C ZINC000223976706 557537799 /nfs/dbraw/zinc/53/77/99/557537799.db2.gz NPZZZIOTKPNLIG-QGZVFWFLSA-N 0 0 431.374 4.244 40 0 IIABRN COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223994133 557541106 /nfs/dbraw/zinc/54/11/06/557541106.db2.gz VKLMPCGPPYPSNN-UHFFFAOYSA-N 0 0 442.562 4.148 40 0 IIABRN CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)c(C)c2)cc1 ZINC000224010809 557543938 /nfs/dbraw/zinc/54/39/38/557543938.db2.gz WWLBICPCMRVFBF-UHFFFAOYSA-N 0 0 440.521 4.455 40 0 IIABRN CC(C)N(C(=O)CSc1nc2ccccc2n1CC(=O)N1CCC(C)CC1)C(C)C ZINC000004859190 557545918 /nfs/dbraw/zinc/54/59/18/557545918.db2.gz LRPMQFMQJGLXCI-UHFFFAOYSA-N 0 0 430.618 4.032 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000224023145 557546654 /nfs/dbraw/zinc/54/66/54/557546654.db2.gz VMWUFLHLBFFAKR-UHFFFAOYSA-N 0 0 444.940 4.388 40 0 IIABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000224025408 557546864 /nfs/dbraw/zinc/54/68/64/557546864.db2.gz NMAPKHUFUPJGMO-HSZRJFAPSA-N 0 0 436.533 4.303 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000224032136 557548091 /nfs/dbraw/zinc/54/80/91/557548091.db2.gz BVUNWVNOWYYXNF-QFIPXVFZSA-N 0 0 430.976 4.485 40 0 IIABRN COc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224036562 557549364 /nfs/dbraw/zinc/54/93/64/557549364.db2.gz NRNHCRNCHRGBBI-HXUWFJFHSA-N 0 0 438.568 4.167 40 0 IIABRN COc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224036515 557549378 /nfs/dbraw/zinc/54/93/78/557549378.db2.gz NRNHCRNCHRGBBI-FQEVSTJZSA-N 0 0 438.568 4.167 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(SC)c3)c2)cc1 ZINC000224040574 557550179 /nfs/dbraw/zinc/55/01/79/557550179.db2.gz QPNKESDFMKZATD-UHFFFAOYSA-N 0 0 428.535 4.470 40 0 IIABRN COc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224043790 557550614 /nfs/dbraw/zinc/55/06/14/557550614.db2.gz BIJHMIUQSLLZBJ-HXUWFJFHSA-N 0 0 438.568 4.167 40 0 IIABRN COc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1Cl ZINC000224051296 557551873 /nfs/dbraw/zinc/55/18/73/557551873.db2.gz JARPYHMXTHLIDF-UHFFFAOYSA-N 0 0 433.014 4.226 40 0 IIABRN CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000224051552 557551953 /nfs/dbraw/zinc/55/19/53/557551953.db2.gz OOCGWDSELPGYMO-MRXNPFEDSA-N 0 0 433.014 4.227 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1Cl ZINC000224063041 557553681 /nfs/dbraw/zinc/55/36/81/557553681.db2.gz QSUJMWIMUYXTRD-OAQYLSRUSA-N 0 0 430.976 4.485 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCc3ccco3)c2)cc1 ZINC000224064100 557553815 /nfs/dbraw/zinc/55/38/15/557553815.db2.gz HMVCRNGZDOBLGI-UHFFFAOYSA-N 0 0 432.929 4.405 40 0 IIABRN O=C(NCc1ccco1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224066647 557554532 /nfs/dbraw/zinc/55/45/32/557554532.db2.gz RUYMVNBCMMGROT-UHFFFAOYSA-N 0 0 425.293 4.317 40 0 IIABRN COc1ccc(OCCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224074912 557555935 /nfs/dbraw/zinc/55/59/35/557555935.db2.gz KFYLAPXOWVASAW-GOSISDBHSA-N 0 0 444.547 4.325 40 0 IIABRN COc1ccc(OCCCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224074862 557555960 /nfs/dbraw/zinc/55/59/60/557555960.db2.gz KFYLAPXOWVASAW-SFHVURJKSA-N 0 0 444.547 4.325 40 0 IIABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCOc1ccccc1Cl ZINC000224078310 557556878 /nfs/dbraw/zinc/55/68/78/557556878.db2.gz MFDWJUNTWZLOGT-UHFFFAOYSA-N 0 0 444.940 4.258 40 0 IIABRN CCOc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000224079295 557557095 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Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1Cl ZINC000260912023 568629392 /nfs/dbraw/zinc/62/93/92/568629392.db2.gz AFHZKQGDFRDNRR-HZPDHXFCSA-N 0 0 434.989 4.169 40 0 IIABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@H]2CCCO2)c1 ZINC000260924272 568630024 /nfs/dbraw/zinc/63/00/24/568630024.db2.gz TUGZFBGPLFCXLV-PTUXOGIPSA-N 0 0 434.565 4.248 40 0 IIABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 ZINC000260918133 568630236 /nfs/dbraw/zinc/63/02/36/568630236.db2.gz LCPYRXQNNPBABF-AGILITTLSA-N 0 0 447.608 4.090 40 0 IIABRN CC[C@@H](NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260949485 568631620 /nfs/dbraw/zinc/63/16/20/568631620.db2.gz XHLYEQFNOPEXSC-PKTZIBPZSA-N 0 0 428.598 4.378 40 0 IIABRN Cc1sc(NC(=O)[C@H]2CSC(C)(C)N2C=O)nc1-c1ccc(Br)cc1 ZINC000000938030 568639260 /nfs/dbraw/zinc/63/92/60/568639260.db2.gz PEJXYIVTMMNKFM-CYBMUJFWSA-N 0 0 440.388 4.129 40 0 IIABRN Cn1nc([C@@H]2CN(C(=O)C3CCCCC3)CCO2)cc1CCOc1cccc(Cl)c1 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O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000257230379 568679167 /nfs/dbraw/zinc/67/91/67/568679167.db2.gz GCBIAVIISMFXCT-SFHVURJKSA-N 0 0 438.491 4.141 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCOC[C@@H](Cc4cccc5cccnc54)C3)CCOCC2)cc1 ZINC000257231614 568679612 /nfs/dbraw/zinc/67/96/12/568679612.db2.gz GHLKMLVQDQBXRZ-QFIPXVFZSA-N 0 0 444.575 4.309 40 0 IIABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257231603 568679615 /nfs/dbraw/zinc/67/96/15/568679615.db2.gz GHLBEITVQMMLAI-OAQYLSRUSA-N 0 0 441.510 4.412 40 0 IIABRN COc1cc(C)ccc1CN1CCO[C@H](c2cc(CCOc3cccc(F)c3)n(C)n2)C1 ZINC000257233275 568680674 /nfs/dbraw/zinc/68/06/74/568680674.db2.gz GOOQSKKAHPQZJY-VWLOTQADSA-N 0 0 439.531 4.071 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cs3)cc(C)n2)C1 ZINC000257234224 568681016 /nfs/dbraw/zinc/68/10/16/568681016.db2.gz GSRINAMFNBKVBA-HXUWFJFHSA-N 0 0 438.553 4.429 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2cccc3ncccc23)C1 ZINC000257234433 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C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000010128493 569221606 /nfs/dbraw/zinc/22/16/06/569221606.db2.gz MGEDYFKECMGTCD-HTAPYJJXSA-N 0 0 442.968 4.107 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(C)c1 ZINC000010300965 569222297 /nfs/dbraw/zinc/22/22/97/569222297.db2.gz AZGXGHHDGMKRSB-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000010302936 569222424 /nfs/dbraw/zinc/22/24/24/569222424.db2.gz OXZNPKJGRYFBLJ-UHFFFAOYSA-N 0 0 442.512 4.027 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(Cc3ccc(Br)cc3)o2)cc1 ZINC000010475639 569224282 /nfs/dbraw/zinc/22/42/82/569224282.db2.gz REJIGXORNIGYGZ-UHFFFAOYSA-N 0 0 434.315 4.162 40 0 IIABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)cc2c1 ZINC000012566815 569224992 /nfs/dbraw/zinc/22/49/92/569224992.db2.gz AKZXMJRSCBXMJK-OSPHWJPCSA-N 0 0 440.551 4.479 40 0 IIABRN CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)cc(I)c1O ZINC000015228145 569225377 /nfs/dbraw/zinc/22/53/77/569225377.db2.gz OACPHLQVQPSEEP-MRXNPFEDSA-N 0 0 426.279 4.092 40 0 IIABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016021364 569225697 /nfs/dbraw/zinc/22/56/97/569225697.db2.gz YXUYDTJDTDRSMY-UHFFFAOYSA-N 0 0 446.878 4.398 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2C)cc1 ZINC000017358338 569225927 /nfs/dbraw/zinc/22/59/27/569225927.db2.gz POBCQVAWYWIOCZ-UHFFFAOYSA-N 0 0 449.576 4.067 40 0 IIABRN CCc1cc(C(=O)N2CCO[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)on1 ZINC000019692211 569227799 /nfs/dbraw/zinc/22/77/99/569227799.db2.gz CFWHFDLFVSKCSB-NRFANRHFSA-N 0 0 445.441 4.455 40 0 IIABRN Cc1cc(C)n2ncc(C(=O)N3CCO[C@@H](c4ccc(-c5cccc(Cl)c5)cn4)C3)c2n1 ZINC000019692458 569228014 /nfs/dbraw/zinc/22/80/14/569228014.db2.gz IUVQPDZCSVFAFF-JOCHJYFZSA-N 0 0 447.926 4.275 40 0 IIABRN CC1=C(CCN2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)C(C)(C)CCC1 ZINC000019693047 569228605 /nfs/dbraw/zinc/22/86/05/569228605.db2.gz MSWUISHJEPEPMQ-JOCHJYFZSA-N 0 0 436.604 4.290 40 0 IIABRN O=C(CCc1cccc(Cl)c1)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693338 569228712 /nfs/dbraw/zinc/22/87/12/569228712.db2.gz SEKWRQRUMSOBQV-FQEVSTJZSA-N 0 0 425.891 4.469 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4nccnc4-c4cccc(Cl)c4)C3)c2c1 ZINC000019693320 569228719 /nfs/dbraw/zinc/22/87/19/569228719.db2.gz SGRRIUDBEHJGMY-LJQANCHMSA-N 0 0 433.899 4.195 40 0 IIABRN CCCc1cc(C(=O)N2CCO[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)no1 ZINC000019696762 569229792 /nfs/dbraw/zinc/22/97/92/569229792.db2.gz XJSPMLGTTDPLKI-SFHVURJKSA-N 0 0 441.553 4.194 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 ZINC000019696757 569229806 /nfs/dbraw/zinc/22/98/06/569229806.db2.gz NHAGPGZIRNXJNI-SFHVURJKSA-N 0 0 439.537 4.119 40 0 IIABRN Cc1onc(-c2ccc(C)cc2)c1C(=O)N1CC[C@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702383 569232070 /nfs/dbraw/zinc/23/20/70/569232070.db2.gz RAGDXPYCCZWTGA-INIZCTEOSA-N 0 0 446.532 4.297 40 0 IIABRN COCCC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713691 569235562 /nfs/dbraw/zinc/23/55/62/569235562.db2.gz FBPMJGDNEZBVTI-WIYYLYMNSA-N 0 0 426.479 4.004 40 0 IIABRN Cc1nc([C@@]2(O)CCCN(c3nc(C)cc(C)n3)CC2)sc1CCOc1ccccc1 ZINC000019738706 569235946 /nfs/dbraw/zinc/23/59/46/569235946.db2.gz PHVSHBCZMZZDGZ-XMMPIXPASA-N 0 0 438.597 4.358 40 0 IIABRN Cc1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019738861 569236155 /nfs/dbraw/zinc/23/61/55/569236155.db2.gz FTQWSBRECPQNLY-JOCHJYFZSA-N 0 0 446.595 4.203 40 0 IIABRN CNc1cc(CN(C)Cc2ccc(OC3CCCC3)cc2)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019759968 569237491 /nfs/dbraw/zinc/23/74/91/569237491.db2.gz KKCOYHDNFVXZQW-HSZRJFAPSA-N 0 0 437.588 4.155 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2Cc2c[nH]nc2-c2cccs2)nc1C ZINC000019765528 569238970 /nfs/dbraw/zinc/23/89/70/569238970.db2.gz XZPQLCZGCACSHE-LJQANCHMSA-N 0 0 438.601 4.446 40 0 IIABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1C ZINC000022028401 569241728 /nfs/dbraw/zinc/24/17/28/569241728.db2.gz BHFHXGVOVHOFBW-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118115 569242478 /nfs/dbraw/zinc/24/24/78/569242478.db2.gz RNXGAFJSUGVSPW-QGZVFWFLSA-N 0 0 432.611 4.320 40 0 IIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026119524 569242493 /nfs/dbraw/zinc/24/24/93/569242493.db2.gz GSINEWFNACYLPW-KRWDZBQOSA-N 0 0 432.611 4.464 40 0 IIABRN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 ZINC000033508169 569244206 /nfs/dbraw/zinc/24/42/06/569244206.db2.gz CWKZRHMPCOGOGZ-UHFFFAOYSA-N 0 0 438.505 4.016 40 0 IIABRN CCCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)CC)CC2)cc1 ZINC000033631258 569245018 /nfs/dbraw/zinc/24/50/18/569245018.db2.gz UWMIHBRIFZKRAC-UHFFFAOYSA-N 0 0 429.948 4.440 40 0 IIABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000034895625 569248143 /nfs/dbraw/zinc/24/81/43/569248143.db2.gz MMEKOYFBMUILMY-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN Cc1cccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)c1C ZINC000038181018 569248735 /nfs/dbraw/zinc/24/87/35/569248735.db2.gz ULUGDOIDBUUSLC-UHFFFAOYSA-N 0 0 433.331 4.287 40 0 IIABRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OC ZINC000058625500 569249634 /nfs/dbraw/zinc/24/96/34/569249634.db2.gz DVQODIVZZPZEOL-GIJQJNRQSA-N 0 0 439.222 4.119 40 0 IIABRN CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 ZINC000107615432 569250589 /nfs/dbraw/zinc/25/05/89/569250589.db2.gz DNGNHMWCVYUDCH-UHFFFAOYSA-N 0 0 428.485 4.450 40 0 IIABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 ZINC000107705006 569250961 /nfs/dbraw/zinc/25/09/61/569250961.db2.gz MQHZHEPMDVOSSG-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(C)c2)cc1 ZINC000107817153 569251386 /nfs/dbraw/zinc/25/13/86/569251386.db2.gz MQCVPJTVNHSNJI-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN COc1cc(C(=O)N2CCCC2)cc(I)c1OCc1ccccc1 ZINC000108151555 569252068 /nfs/dbraw/zinc/25/20/68/569252068.db2.gz WWBOXMURTUXYCN-UHFFFAOYSA-N 0 0 437.277 4.115 40 0 IIABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 ZINC000108111309 569252329 /nfs/dbraw/zinc/25/23/29/569252329.db2.gz LOKBYVBFRWSAJY-UHFFFAOYSA-N 0 0 430.570 4.186 40 0 IIABRN COc1cc(C(=S)N2CCOCC2)c(Br)cc1OCc1ccc(F)cc1 ZINC000108097917 569252390 /nfs/dbraw/zinc/25/23/90/569252390.db2.gz NFEWZIJDZCQIOV-UHFFFAOYSA-N 0 0 440.334 4.184 40 0 IIABRN CCc1s/c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1-c1ccc(F)cc1 ZINC000108178311 569252619 /nfs/dbraw/zinc/25/26/19/569252619.db2.gz VGVIDUORVHFKIQ-GYHWCHFESA-N 0 0 430.501 4.222 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2cccc(Cl)c2)cc1 ZINC000197719009 569255381 /nfs/dbraw/zinc/25/53/81/569255381.db2.gz KBLYEODEQDAVPC-UHFFFAOYSA-N 0 0 428.941 4.478 40 0 IIABRN COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000205818214 569255721 /nfs/dbraw/zinc/25/57/21/569255721.db2.gz RHYOARAWIDQKTE-VCHYOVAHSA-N 0 0 447.896 4.137 40 0 IIABRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O)N1CCCCC1 ZINC000205797667 569255738 /nfs/dbraw/zinc/25/57/38/569255738.db2.gz CBKVOPJVTNMRAM-RCCKNPSSSA-N 0 0 436.533 4.314 40 0 IIABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](Sc4[nH]c(=O)sc4[C@@H]3C=Cc3ccccc3)C2=O)cc1 ZINC000017920701 569282192 /nfs/dbraw/zinc/28/21/92/569282192.db2.gz KIJOSTTWYVGZCQ-XULLOUEZSA-N 0 0 434.542 4.206 40 0 IIABRN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018086105 569284770 /nfs/dbraw/zinc/28/47/70/569284770.db2.gz OJTVJQQTIRDHQH-OTWHNJEPSA-N 0 0 429.314 4.174 40 0 IIABRN O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000008874705 569291869 /nfs/dbraw/zinc/29/18/69/569291869.db2.gz TWNZNTLBZFMBAY-SLDRDFCHSA-N 0 0 440.293 4.204 40 0 IIABRN COc1ccc(N2O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000009358083 569295811 /nfs/dbraw/zinc/29/58/11/569295811.db2.gz BFWHVTSVWUKBED-YPAWHYETSA-N 0 0 434.879 4.400 40 0 IIABRN O=C(CSc1nnc(-c2ccccn2)n1-n1cccc1)Nc1cc(Cl)ccc1Cl ZINC000027753047 569296595 /nfs/dbraw/zinc/29/65/95/569296595.db2.gz UQBDMLGTCKRGDJ-UHFFFAOYSA-N 0 0 445.335 4.491 40 0 IIABRN COc1ccc([C@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000018210486 569316073 /nfs/dbraw/zinc/31/60/73/569316073.db2.gz BFNZJMMKTNKZMB-SGNDLWITSA-N 0 0 444.487 4.063 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019696187 569326685 /nfs/dbraw/zinc/32/66/85/569326685.db2.gz NRQJZJGRLCOJJA-QHCPKHFHSA-N 0 0 440.547 4.171 40 0 IIABRN COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)Cc4cccc(F)c4)nc32)c1 ZINC000019698633 569326899 /nfs/dbraw/zinc/32/68/99/569326899.db2.gz SOOJFIUIEXKNPR-UHFFFAOYSA-N 0 0 448.542 4.087 40 0 IIABRN COc1ccc(C2(C(=O)NCc3ccc(-c4ccc(C(N)=O)c(C)n4)cc3)CCCC2)cc1 ZINC000019700756 569327319 /nfs/dbraw/zinc/32/73/19/569327319.db2.gz ASZIRBOYUQKGSL-UHFFFAOYSA-N 0 0 443.547 4.293 40 0 IIABRN CN(C)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000019700496 569327324 /nfs/dbraw/zinc/32/73/24/569327324.db2.gz DMGABWHCDJWVSM-UHFFFAOYSA-N 0 0 427.548 4.302 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019739659 569328220 /nfs/dbraw/zinc/32/82/20/569328220.db2.gz QGSMFNRWEBUKAM-QFIPXVFZSA-N 0 0 444.510 4.033 40 0 IIABRN O=C(CN1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)Nc1ccc(F)cc1 ZINC000019744872 569328410 /nfs/dbraw/zinc/32/84/10/569328410.db2.gz DALRAMMINLUVSD-XMMPIXPASA-N 0 0 437.559 4.305 40 0 IIABRN CCOc1ccccc1C(=O)N1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761643 569328752 /nfs/dbraw/zinc/32/87/52/569328752.db2.gz VFJKCBRHLDTVON-SFHVURJKSA-N 0 0 431.536 4.401 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccccc2F)ncc1C(=O)NCc1ccccc1 ZINC000019764312 569328957 /nfs/dbraw/zinc/32/89/57/569328957.db2.gz VHQLXKGXKVPNGP-QHCPKHFHSA-N 0 0 446.526 4.150 40 0 IIABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCN2C(=O)CCc2ccccc2F)n1 ZINC000019767256 569329175 /nfs/dbraw/zinc/32/91/75/569329175.db2.gz KRSNPGKFBBEXJH-QHCPKHFHSA-N 0 0 446.526 4.150 40 0 IIABRN COc1ccc(CN2CCCC[C@H]2c2nc(C)ncc2C(=O)NCc2ccccc2)cc1 ZINC000019766963 569329194 /nfs/dbraw/zinc/32/91/94/569329194.db2.gz OPXORTBETDKUDI-DEOSSOPVSA-N 0 0 430.552 4.451 40 0 IIABRN CC(=O)c1ccc(NC(=O)CSc2nnc(-n3cccc3)n2Cc2ccccc2)cc1 ZINC000028534756 569410838 /nfs/dbraw/zinc/41/08/38/569410838.db2.gz ZRBKVIFKVKBCGY-UHFFFAOYSA-N 0 0 431.521 4.051 40 0 IIABRN CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 ZINC000245204716 569498958 /nfs/dbraw/zinc/49/89/58/569498958.db2.gz GGXICVAJURFBLW-SUVWLMCGSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN Cc1cc(Nc2cc(C(F)(F)F)nc(N[C@H](CO)C(C)C)n2)ccc1Br ZINC000329006835 569583964 /nfs/dbraw/zinc/58/39/64/569583964.db2.gz LGSCSJBSBPHGLE-CYBMUJFWSA-N 0 0 433.272 4.739 40 0 IIABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H]([C@]1(O)c3ccccc3NC1=O)C2=O ZINC000039262258 569586896 /nfs/dbraw/zinc/58/68/96/569586896.db2.gz ANRFRODGBYZULY-TYSFGTPYSA-N 0 0 437.580 4.025 40 0 IIABRN 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COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2cc(C)ccc2C)cc1OC ZINC000022526077 523971781 /nfs/dbraw/zinc/97/17/81/523971781.db2.gz UXMGSRZIRVUIOQ-UHFFFAOYSA-N 0 0 446.547 4.474 40 0 IIABRN CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000012492457 524005249 /nfs/dbraw/zinc/00/52/49/524005249.db2.gz MJWNWHUQHINDEX-UHFFFAOYSA-N 0 0 440.521 4.076 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccccc2)no1)C(C)(C)C ZINC000022256509 524247681 /nfs/dbraw/zinc/24/76/81/524247681.db2.gz NMKPKXAAVANSBT-UHFFFAOYSA-N 0 0 435.933 4.388 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1C ZINC000022539931 524333506 /nfs/dbraw/zinc/33/35/06/524333506.db2.gz BQURBUKVGAFFHY-OALUTQOASA-N 0 0 432.561 4.029 40 0 IIABRN Cc1cccc(C2=NCC(=O)N(CC(=O)N3CCCCCC3)c3sc4c(c32)CCC4)c1 ZINC000012833972 524334918 /nfs/dbraw/zinc/33/49/18/524334918.db2.gz USDGJIRGXIUHPP-UHFFFAOYSA-N 0 0 435.593 4.132 40 0 IIABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 ZINC000012492411 524359429 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4.064 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCCc2ccccc2)c2ccco2)c1 ZINC000012868416 524509795 /nfs/dbraw/zinc/50/97/95/524509795.db2.gz DPSXVYUOLKYQDQ-JOCHJYFZSA-N 0 0 446.532 4.187 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1 ZINC000012493971 524599786 /nfs/dbraw/zinc/59/97/86/524599786.db2.gz KMGRGLRFYLAWKL-UHFFFAOYSA-N 0 0 446.532 4.438 40 0 IIABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020449582 524639947 /nfs/dbraw/zinc/63/99/47/524639947.db2.gz PUOUSUPYXIAATP-OAHLLOKOSA-N 0 0 440.496 4.227 40 0 IIABRN C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)N5[C@H](C)CCC[C@@H]5C)nnc4c23)C1 ZINC000012833747 524725697 /nfs/dbraw/zinc/72/56/97/524725697.db2.gz FMDRDSBQXWCJOB-MCIONIFRSA-N 0 0 429.615 4.345 40 0 IIABRN Cc1ccc(Cl)cc1N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccco1 ZINC000035312138 524727628 /nfs/dbraw/zinc/72/76/28/524727628.db2.gz WNEMOWXLTFTAEA-QGZVFWFLSA-N 0 0 432.933 4.396 40 0 IIABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O ZINC000022336573 524888245 /nfs/dbraw/zinc/88/82/45/524888245.db2.gz ZZYGQCRJTCXUKM-UHFFFAOYSA-N 0 0 436.961 4.375 40 0 IIABRN Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429494 524892684 /nfs/dbraw/zinc/89/26/84/524892684.db2.gz FIIVRXGUBVDRFR-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1N1CCCC1=O ZINC000022533731 525074190 /nfs/dbraw/zinc/07/41/90/525074190.db2.gz IPLVLKNQKQLGPP-MRXNPFEDSA-N 0 0 430.570 4.159 40 0 IIABRN C[C@H]1c2ccsc2CCN1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182859 525132794 /nfs/dbraw/zinc/13/27/94/525132794.db2.gz NBPXEOAFCMQSTP-ZOCIIQOWSA-N 0 0 442.585 4.068 40 0 IIABRN Cc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233479 525241234 /nfs/dbraw/zinc/24/12/34/525241234.db2.gz ONBXYRUDVRIJCZ-UHFFFAOYSA-N 0 0 442.512 4.118 40 0 IIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3Br)n2C)cc1 ZINC000012497018 525451654 /nfs/dbraw/zinc/45/16/54/525451654.db2.gz STPNCHWMKNCFSF-UHFFFAOYSA-N 0 0 447.358 4.196 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1 ZINC000015005483 525500625 /nfs/dbraw/zinc/50/06/25/525500625.db2.gz QOJJOSYZQOJDDT-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000022315111 525503991 /nfs/dbraw/zinc/50/39/91/525503991.db2.gz WXQPTQGSGBMJBJ-UHFFFAOYSA-N 0 0 440.540 4.078 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2Cl)cc1 ZINC000022430778 525504760 /nfs/dbraw/zinc/50/47/60/525504760.db2.gz PNMDMDMXBZOETH-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000022431618 525507642 /nfs/dbraw/zinc/50/76/42/525507642.db2.gz SPOPHSHPJVAWIH-KRWDZBQOSA-N 0 0 444.503 4.346 40 0 IIABRN C[C@@H]1Cc2cc(C(=O)NCc3ccccc3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448421 525520696 /nfs/dbraw/zinc/52/06/96/525520696.db2.gz IGFHKGUQKYLTDR-MRXNPFEDSA-N 0 0 440.952 4.410 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CCCc3ccncc3)CC1)N2 ZINC000019128635 525663572 /nfs/dbraw/zinc/66/35/72/525663572.db2.gz ABOGOMDSDIUYKC-RBUKOAKNSA-N 0 0 435.494 4.136 40 0 IIABRN COc1ccc2nc(NC(=O)c3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)sc2c1 ZINC000012371493 525674733 /nfs/dbraw/zinc/67/47/33/525674733.db2.gz FLKPEYDWJKVMDU-IRXDYDNUSA-N 0 0 435.505 4.237 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2Cl)o1 ZINC000012870810 525675954 /nfs/dbraw/zinc/67/59/54/525675954.db2.gz KFEVCVVNVDYYNA-KRWDZBQOSA-N 0 0 432.933 4.396 40 0 IIABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2ccccn2)c2cccnc2)cc1 ZINC000035288930 525678277 /nfs/dbraw/zinc/67/82/77/525678277.db2.gz ICTRUFBGNQIUKP-VWLOTQADSA-N 0 0 436.515 4.490 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-c2ccccn2)c1 ZINC000035313036 525748509 /nfs/dbraw/zinc/74/85/09/525748509.db2.gz NEMMTCXZZYOBIV-UHFFFAOYSA-N 0 0 447.520 4.077 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccnc2)c1 ZINC000035289143 525748832 /nfs/dbraw/zinc/74/88/32/525748832.db2.gz GZHMJIGOSUUDLN-UHFFFAOYSA-N 0 0 435.484 4.208 40 0 IIABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)c2csnn2)cc1 ZINC000012638097 525872676 /nfs/dbraw/zinc/87/26/76/525872676.db2.gz RCOJUESUYLEFJK-HXUWFJFHSA-N 0 0 440.544 4.284 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000022342714 525888324 /nfs/dbraw/zinc/88/83/24/525888324.db2.gz DYMKNXXDRAEHNR-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)on1 ZINC000019121226 526040266 /nfs/dbraw/zinc/04/02/66/526040266.db2.gz YPBLSYXSOZGYHB-UHFFFAOYSA-N 0 0 432.402 4.184 40 0 IIABRN COc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1 ZINC000012219786 526239135 /nfs/dbraw/zinc/23/91/35/526239135.db2.gz OANHVHOHZJONDV-OPAMFIHVSA-N 0 0 432.524 4.144 40 0 IIABRN O=C(O[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccc2ncccc2c1)c1cccs1 ZINC000035288798 526436007 /nfs/dbraw/zinc/43/60/07/526436007.db2.gz VPSKQTJKDIEVSB-QFIPXVFZSA-N 0 0 446.484 4.240 40 0 IIABRN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)s1 ZINC000035322789 526573801 /nfs/dbraw/zinc/57/38/01/526573801.db2.gz KTDQIVMYICKISF-GFCCVEGCSA-N 0 0 425.485 4.183 40 0 IIABRN O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)c1ccccn1 ZINC000012157798 526873770 /nfs/dbraw/zinc/87/37/70/526873770.db2.gz SUIIRPWYWVEHST-OXJNMPFZSA-N 0 0 428.508 4.200 40 0 IIABRN Cc1sc(NC(=O)CN(C(=O)c2cccc(F)c2)C2CCCCC2)c(C(N)=O)c1C ZINC000035292399 526880426 /nfs/dbraw/zinc/88/04/26/526880426.db2.gz CZXHIFSIZBDPBN-UHFFFAOYSA-N 0 0 431.533 4.017 40 0 IIABRN O=C(CSc1nnc2c3cc(F)ccc3[nH]c2n1)Nc1ccccc1Br ZINC000035290099 527089215 /nfs/dbraw/zinc/08/92/15/527089215.db2.gz RCKFHXJJFIVRDR-UHFFFAOYSA-N 0 0 432.278 4.139 40 0 IIABRN O=C(Nc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015002281 527196784 /nfs/dbraw/zinc/19/67/84/527196784.db2.gz FULSHNQUCBFYCJ-UHFFFAOYSA-N 0 0 448.466 4.297 40 0 IIABRN O=C(Cc1ccccc1)N1CCC(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000012156751 527275920 /nfs/dbraw/zinc/27/59/20/527275920.db2.gz UMGOQEQCWHVRBM-QHCPKHFHSA-N 0 0 432.564 4.421 40 0 IIABRN O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012637499 527508642 /nfs/dbraw/zinc/50/86/42/527508642.db2.gz CWJRMCGHPQCRKH-HXUWFJFHSA-N 0 0 442.491 4.263 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012872089 527514925 /nfs/dbraw/zinc/51/49/25/527514925.db2.gz YYNZTUSBVILVLV-HXUWFJFHSA-N 0 0 442.516 4.103 40 0 IIABRN Cc1nn(C)c(Cl)c1CN1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000012188346 527666207 /nfs/dbraw/zinc/66/62/07/527666207.db2.gz NUFUCICJAGVTRW-QAPCUYQASA-N 0 0 440.897 4.137 40 0 IIABRN Cc1nn(CC(=O)N2CCC[C@@H]([C@H]3CC(=O)c4c(ccc5ccccc54)O3)C2)c(C)c1C ZINC000012232641 527701536 /nfs/dbraw/zinc/70/15/36/527701536.db2.gz GAYQYBGHKCTZLD-HYBUGGRVSA-N 0 0 431.536 4.234 40 0 IIABRN CC1(C)Oc2ccc(C(=O)Nc3ccccc3)cc2N(CC(=O)Nc2ccccc2F)C1=O 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4.211 40 0 IIABRN Cc1ccsc1CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000001442362 555697831 /nfs/dbraw/zinc/69/78/31/555697831.db2.gz ROLJCBZOYJWOME-HXUWFJFHSA-N 0 0 433.533 4.465 40 0 IIABRN COc1ccc(-c2cn(-c3ccc(I)cc3)c3ncnc(N)c23)cc1 ZINC000001609270 555705692 /nfs/dbraw/zinc/70/56/92/555705692.db2.gz ARNNFABBNWTICX-UHFFFAOYSA-N 0 0 442.260 4.283 40 0 IIABRN COc1cc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3n2C)cc(OC)c1OC ZINC000001927029 555725395 /nfs/dbraw/zinc/72/53/95/555725395.db2.gz SLZKCYGXQVRXPW-HXUWFJFHSA-N 0 0 445.519 4.313 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)c(C)c1 ZINC000408535134 555743218 /nfs/dbraw/zinc/74/32/18/555743218.db2.gz UTQNOYZZRWKRGX-UHFFFAOYSA-N 0 0 436.961 4.149 40 0 IIABRN O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408536149 555758963 /nfs/dbraw/zinc/75/89/63/555758963.db2.gz YHVZSGXRLITBPS-NSHDSACASA-N 0 0 449.306 4.311 40 0 IIABRN O=C(CCc1ccccc1)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408536675 555773928 /nfs/dbraw/zinc/77/39/28/555773928.db2.gz XFZFPSHYBUMYEV-UHFFFAOYSA-N 0 0 441.535 4.166 40 0 IIABRN Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)cc1C ZINC000408542201 555790444 /nfs/dbraw/zinc/79/04/44/555790444.db2.gz ICJODUXELFBCIZ-UHFFFAOYSA-N 0 0 447.358 4.298 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1I ZINC000408547327 555802047 /nfs/dbraw/zinc/80/20/47/555802047.db2.gz YWRLUCFCVCTIID-UHFFFAOYSA-N 0 0 431.295 4.026 40 0 IIABRN CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000035127154 555830414 /nfs/dbraw/zinc/83/04/14/555830414.db2.gz VILZSEVAJIQJMK-KRWDZBQOSA-N 0 0 440.569 4.164 40 0 IIABRN CCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408553006 555881453 /nfs/dbraw/zinc/88/14/53/555881453.db2.gz UDRBOZIPZRGXMP-UHFFFAOYSA-N 0 0 428.485 4.450 40 0 IIABRN CC(C)CCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408553893 555890814 /nfs/dbraw/zinc/89/08/14/555890814.db2.gz RERDSUBEYKWGRO-UHFFFAOYSA-N 0 0 445.368 4.335 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(=O)c1ccccc1C ZINC000408558840 555898413 /nfs/dbraw/zinc/89/84/13/555898413.db2.gz KIYGWYMXMKCFQL-UHFFFAOYSA-N 0 0 432.448 4.335 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1 ZINC000408560052 555899844 /nfs/dbraw/zinc/89/98/44/555899844.db2.gz ZUKXUGJCGOCIIA-UHFFFAOYSA-N 0 0 444.940 4.470 40 0 IIABRN CCOc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 ZINC000408560086 555899856 /nfs/dbraw/zinc/89/98/56/555899856.db2.gz BUXXIWUBLYFDND-UHFFFAOYSA-N 0 0 428.872 4.279 40 0 IIABRN CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 ZINC000408560363 555900726 /nfs/dbraw/zinc/90/07/26/555900726.db2.gz OTMHYTWZJNDYKH-GOSISDBHSA-N 0 0 432.611 4.373 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408561801 555904435 /nfs/dbraw/zinc/90/44/35/555904435.db2.gz VHZAOCSNUAUJJN-UHFFFAOYSA-N 0 0 434.901 4.063 40 0 IIABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1)N1CCCCC1 ZINC000408562439 555905659 /nfs/dbraw/zinc/90/56/59/555905659.db2.gz PNGNNPNZHBXASP-UHFFFAOYSA-N 0 0 438.347 4.268 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C ZINC000408562995 555906805 /nfs/dbraw/zinc/90/68/05/555906805.db2.gz SSGHARZFFVTDFM-UHFFFAOYSA-N 0 0 444.597 4.312 40 0 IIABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CC(=O)Nc2ccccc21 ZINC000408575670 555926408 /nfs/dbraw/zinc/92/64/08/555926408.db2.gz PEGHAJDUEFBXJH-RUZDIDTESA-N 0 0 443.528 4.060 40 0 IIABRN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000408575754 555926460 /nfs/dbraw/zinc/92/64/60/555926460.db2.gz QJFQGOKJGUKBLX-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN O=C(NC1CCCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408582526 555933889 /nfs/dbraw/zinc/93/38/89/555933889.db2.gz CXWFJQKLMDAKAT-NRFANRHFSA-N 0 0 428.598 4.470 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CCCCCCC1 ZINC000408584917 555935269 /nfs/dbraw/zinc/93/52/69/555935269.db2.gz WOAJYATVBVUKPV-UHFFFAOYSA-N 0 0 428.598 4.327 40 0 IIABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1)c1ccccc1 ZINC000408584947 555935332 /nfs/dbraw/zinc/93/53/32/555935332.db2.gz WZVZRQIBTZINND-IBGZPJMESA-N 0 0 444.597 4.334 40 0 IIABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Oc3ccccc3)n2N)cc1 ZINC000003478210 555936288 /nfs/dbraw/zinc/93/62/88/555936288.db2.gz QUWTWPSNVVLPCJ-UHFFFAOYSA-N 0 0 431.521 4.490 40 0 IIABRN Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)NCC(C)C ZINC000408584302 555936819 /nfs/dbraw/zinc/93/68/19/555936819.db2.gz NYAAUINTCYJHMZ-UHFFFAOYSA-N 0 0 429.369 4.166 40 0 IIABRN CCOC(=O)Nc1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)ccc1OC ZINC000408587250 555940169 /nfs/dbraw/zinc/94/01/69/555940169.db2.gz SNUPABRFKRBURE-UHFFFAOYSA-N 0 0 440.521 4.332 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)c1 ZINC000408589429 555940442 /nfs/dbraw/zinc/94/04/42/555940442.db2.gz HOBAUUSRPOJHPB-UHFFFAOYSA-N 0 0 446.569 4.104 40 0 IIABRN COc1ccc(-c2onc(C(=O)c3cccs3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000003848880 555948692 /nfs/dbraw/zinc/94/86/92/555948692.db2.gz JPNOLIAHVMNVKT-UHFFFAOYSA-N 0 0 425.487 4.476 40 0 IIABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1Cl ZINC000408597921 555956038 /nfs/dbraw/zinc/95/60/38/555956038.db2.gz WNOQPSLWGMYBHM-NRFANRHFSA-N 0 0 428.941 4.177 40 0 IIABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OCC(=O)OC)cc3)ccc21 ZINC000408598302 555956908 /nfs/dbraw/zinc/95/69/08/555956908.db2.gz YXOPMWVIEDNURH-UHFFFAOYSA-N 0 0 438.505 4.167 40 0 IIABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408593383 555959274 /nfs/dbraw/zinc/95/92/74/555959274.db2.gz QBWVBBMLMRSYQH-GFCCVEGCSA-N 0 0 431.341 4.086 40 0 IIABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408594734 555960549 /nfs/dbraw/zinc/96/05/49/555960549.db2.gz OWWSUEJMVASSDP-GOSISDBHSA-N 0 0 432.586 4.459 40 0 IIABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595253 555961672 /nfs/dbraw/zinc/96/16/72/555961672.db2.gz UNSGATZZEVXUGV-GOSISDBHSA-N 0 0 430.570 4.320 40 0 IIABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)NCc1ccccc1 ZINC000408595757 555962541 /nfs/dbraw/zinc/96/25/41/555962541.db2.gz NLONYMQUUOHBQV-UHFFFAOYSA-N 0 0 432.549 4.439 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000408597349 555965053 /nfs/dbraw/zinc/96/50/53/555965053.db2.gz YSQYHLZVVJBQSA-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408600649 555968615 /nfs/dbraw/zinc/96/86/15/555968615.db2.gz BRNRWGGMVYLHAY-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN COC(=O)c1ccc(-c2ccc([C@@H]3NC(=S)NC(C)=C3C(=O)Nc3ccccc3)o2)cc1 ZINC000408608385 555979129 /nfs/dbraw/zinc/97/91/29/555979129.db2.gz WEONUWWVQZXFGJ-NRFANRHFSA-N 0 0 447.516 4.165 40 0 IIABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000408614558 555985178 /nfs/dbraw/zinc/98/51/78/555985178.db2.gz DQGPWMPJYSEACA-OAQYLSRUSA-N 0 0 441.531 4.225 40 0 IIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3cccc(C)c3)CC2=O)cc1 ZINC000408614949 555985871 /nfs/dbraw/zinc/98/58/71/555985871.db2.gz KCSJTUPXYHTAHB-NRFANRHFSA-N 0 0 441.531 4.225 40 0 IIABRN Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1=O ZINC000408615891 555986762 /nfs/dbraw/zinc/98/67/62/555986762.db2.gz UFDYVQNLDVGLEW-LJQANCHMSA-N 0 0 445.494 4.056 40 0 IIABRN COC(=O)c1ccc(NC(=O)c2cc3c(nc(SC)nc3N3CCCC3)s2)cc1 ZINC000408620151 555989332 /nfs/dbraw/zinc/98/93/32/555989332.db2.gz KRGNARDCFWENKH-UHFFFAOYSA-N 0 0 428.539 4.052 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)C2CCCCC2)cc1 ZINC000408621567 555990512 /nfs/dbraw/zinc/99/05/12/555990512.db2.gz NKNOUIWZODVLAQ-UHFFFAOYSA-N 0 0 448.629 4.415 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C)C2)cc1Cl ZINC000408621717 555990531 /nfs/dbraw/zinc/99/05/31/555990531.db2.gz LZEOSQPMXVAZJG-INIZCTEOSA-N 0 0 436.961 4.087 40 0 IIABRN COc1ccccc1NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O ZINC000408624339 555993564 /nfs/dbraw/zinc/99/35/64/555993564.db2.gz GZRKDDQXFUCKFE-UHFFFAOYSA-N 0 0 428.897 4.163 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccc(OC)cc2OC)cc1 ZINC000408626073 555996547 /nfs/dbraw/zinc/99/65/47/555996547.db2.gz LDHWQUWQAJIEBZ-UHFFFAOYSA-N 0 0 427.522 4.416 40 0 IIABRN Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408635378 556012821 /nfs/dbraw/zinc/01/28/21/556012821.db2.gz AGMPISIQANKXLM-UHFFFAOYSA-N 0 0 449.454 4.140 40 0 IIABRN CCCc1nnc(SCC(=O)Nc2cc(Br)ccc2Br)o1 ZINC000408638884 556016210 /nfs/dbraw/zinc/01/62/10/556016210.db2.gz UNKVQDJWPIBMRC-UHFFFAOYSA-N 0 0 435.141 4.278 40 0 IIABRN COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c1 ZINC000408639807 556016650 /nfs/dbraw/zinc/01/66/50/556016650.db2.gz ZVCOGZNKYAODKR-UHFFFAOYSA-N 0 0 447.900 4.128 40 0 IIABRN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O ZINC000408641112 556017218 /nfs/dbraw/zinc/01/72/18/556017218.db2.gz KKUJSIPBUGAXNP-LBPRGKRZSA-N 0 0 437.721 4.411 40 0 IIABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O ZINC000408642334 556018301 /nfs/dbraw/zinc/01/83/01/556018301.db2.gz OCGISNQTHZPTQQ-GFCCVEGCSA-N 0 0 437.721 4.493 40 0 IIABRN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000408636230 556018914 /nfs/dbraw/zinc/01/89/14/556018914.db2.gz MFXAKNLLLXHWOC-ZDUSSCGKSA-N 0 0 445.368 4.478 40 0 IIABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(NC(C)=O)cc1 ZINC000408636801 556019597 /nfs/dbraw/zinc/01/95/97/556019597.db2.gz CMAHPOKVMSSJDR-UHFFFAOYSA-N 0 0 429.933 4.308 40 0 IIABRN CSc1nc2sc(C(=O)NCc3ccc4c(c3)OCO4)cc2c(N2CCCCC2)n1 ZINC000408636654 556019619 /nfs/dbraw/zinc/01/96/19/556019619.db2.gz SCKSKRVMKKMMMZ-UHFFFAOYSA-N 0 0 442.566 4.062 40 0 IIABRN COc1ccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000408637173 556020228 /nfs/dbraw/zinc/02/02/28/556020228.db2.gz GLLZZPGTOJKWBV-UHFFFAOYSA-N 0 0 435.299 4.395 40 0 IIABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O ZINC000408646787 556022362 /nfs/dbraw/zinc/02/23/62/556022362.db2.gz WKVUMRAFJIHORS-OAHLLOKOSA-N 0 0 431.330 4.456 40 0 IIABRN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000408651786 556028069 /nfs/dbraw/zinc/02/80/69/556028069.db2.gz DXLQWYDBYFEEKE-CQSZACIVSA-N 0 0 435.307 4.091 40 0 IIABRN Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408652810 556030694 /nfs/dbraw/zinc/03/06/94/556030694.db2.gz CYLUWRBTUXEMLS-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000408656702 556036679 /nfs/dbraw/zinc/03/66/79/556036679.db2.gz IUTPMBKVXZCDQG-SFHVURJKSA-N 0 0 442.943 4.308 40 0 IIABRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O)c1ccc(Cl)cc1Cl ZINC000408659481 556039369 /nfs/dbraw/zinc/03/93/69/556039369.db2.gz VWKFHZKNHPPKJT-UHFFFAOYSA-N 0 0 439.682 4.036 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)Nc1ccc(Cl)cc1 ZINC000408663584 556046636 /nfs/dbraw/zinc/04/66/36/556046636.db2.gz AKUUUSOUVIEINO-LLVKDONJSA-N 0 0 441.698 4.182 40 0 IIABRN COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408667200 556049162 /nfs/dbraw/zinc/04/91/62/556049162.db2.gz PPVKWQXRPUSORF-UHFFFAOYSA-N 0 0 438.402 4.005 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000408664962 556052954 /nfs/dbraw/zinc/05/29/54/556052954.db2.gz QBPNTITXMGYNER-LPTQZCDUSA-N 0 0 448.519 4.025 40 0 IIABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C ZINC000408674616 556065781 /nfs/dbraw/zinc/06/57/81/556065781.db2.gz AQLLPSXSEVKJJR-UHFFFAOYSA-N 0 0 440.521 4.212 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000408675611 556068120 /nfs/dbraw/zinc/06/81/20/556068120.db2.gz JPMUOZOIZGMKBN-UHFFFAOYSA-N 0 0 448.903 4.219 40 0 IIABRN CCCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@@H]4C3=O)c2)cc1 ZINC000408676545 556069325 /nfs/dbraw/zinc/06/93/25/556069325.db2.gz DHCUEBSAUNHOEH-YADHBBJMSA-N 0 0 446.503 4.351 40 0 IIABRN O=C(c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccncc3)cc1)C2=O)N1CCCCCC1 ZINC000408678562 556072810 /nfs/dbraw/zinc/07/28/10/556072810.db2.gz FROZTVVWEGEJBE-UHFFFAOYSA-N 0 0 439.515 4.489 40 0 IIABRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)Nn4c(C)ccc4C)cc3)CC2=O)cc1 ZINC000408680805 556075658 /nfs/dbraw/zinc/07/56/58/556075658.db2.gz GTLQYSTUFWQZKX-NRFANRHFSA-N 0 0 444.535 4.043 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000408682305 556082308 /nfs/dbraw/zinc/08/23/08/556082308.db2.gz XBCDVCCSKLLIRH-UHFFFAOYSA-N 0 0 443.686 4.330 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 ZINC000408686556 556087678 /nfs/dbraw/zinc/08/76/78/556087678.db2.gz RVNGSMVRAHCQNX-NRFANRHFSA-N 0 0 444.535 4.097 40 0 IIABRN COc1ccc(CCCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1C ZINC000006471524 556090419 /nfs/dbraw/zinc/09/04/19/556090419.db2.gz FNKGQTIMVDHGBY-LPHOPBHVSA-N 0 0 430.618 4.094 40 0 IIABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 ZINC000408693071 556093148 /nfs/dbraw/zinc/09/31/48/556093148.db2.gz FMPODUGYKALPQJ-UHFFFAOYSA-N 0 0 430.570 4.247 40 0 IIABRN COCCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Br)cc2)n1 ZINC000408692130 556094573 /nfs/dbraw/zinc/09/45/73/556094573.db2.gz DZNWOCJAGSGBRH-UHFFFAOYSA-N 0 0 449.736 4.117 40 0 IIABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000408694520 556096764 /nfs/dbraw/zinc/09/67/64/556096764.db2.gz JAJJVIIDPBWMKD-UHFFFAOYSA-N 0 0 448.610 4.235 40 0 IIABRN Cc1cccc(N(CCCC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000408694959 556097195 /nfs/dbraw/zinc/09/71/95/556097195.db2.gz LLUBWQAKCXCCSJ-UHFFFAOYSA-N 0 0 429.369 4.164 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(C)C ZINC000408695939 556098178 /nfs/dbraw/zinc/09/81/78/556098178.db2.gz VVINSIYAYWVAKO-UHFFFAOYSA-N 0 0 431.295 4.224 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)CC ZINC000408696881 556100828 /nfs/dbraw/zinc/10/08/28/556100828.db2.gz FQILBPGQLAHWLK-UHFFFAOYSA-N 0 0 430.570 4.077 40 0 IIABRN COc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000408700797 556102866 /nfs/dbraw/zinc/10/28/66/556102866.db2.gz LZUYXGRQMMYMMO-UHFFFAOYSA-N 0 0 442.562 4.495 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000408700187 556103503 /nfs/dbraw/zinc/10/35/03/556103503.db2.gz BROCLKDBAZJLTI-FQEVSTJZSA-N 0 0 444.597 4.475 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408702147 556105791 /nfs/dbraw/zinc/10/57/91/556105791.db2.gz KAUJCGYGNZMEDO-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000408700903 556105858 /nfs/dbraw/zinc/10/58/58/556105858.db2.gz NYLHZWPGWDJACL-UHFFFAOYSA-N 0 0 444.597 4.475 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000408704269 556109539 /nfs/dbraw/zinc/10/95/39/556109539.db2.gz ZNIDVHSJGKKDMA-UHFFFAOYSA-N 0 0 436.961 4.474 40 0 IIABRN O=C(NCc1ccccn1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703779 556111265 /nfs/dbraw/zinc/11/12/65/556111265.db2.gz HADPWACMMFFDJM-HSZRJFAPSA-N 0 0 437.952 4.439 40 0 IIABRN Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000408705646 556111872 /nfs/dbraw/zinc/11/18/72/556111872.db2.gz KKQUSCJYPQLYCL-UHFFFAOYSA-N 0 0 430.570 4.357 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)cc1 ZINC000408705800 556111969 /nfs/dbraw/zinc/11/19/69/556111969.db2.gz NRCGFQGNBWTEMD-INIZCTEOSA-N 0 0 428.485 4.341 40 0 IIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c1)C2=O ZINC000408722968 556150411 /nfs/dbraw/zinc/15/04/11/556150411.db2.gz YMRNTJIQRUQOMT-PGRDOPGGSA-N 0 0 446.956 4.457 40 0 IIABRN C[C@H]1CCc2cc(F)ccc2N1C(=O)CSc1nnc2c3cc(F)ccc3[nH]c2n1 ZINC000008666858 556197867 /nfs/dbraw/zinc/19/78/67/556197867.db2.gz UDAVFICUFADFSE-NSHDSACASA-N 0 0 425.464 4.244 40 0 IIABRN CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC000408739295 556209458 /nfs/dbraw/zinc/20/94/58/556209458.db2.gz ZKDDHQGALHOLBI-JTSKRJEESA-N 0 0 436.508 4.276 40 0 IIABRN CC(C)CCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000009067259 556244886 /nfs/dbraw/zinc/24/48/86/556244886.db2.gz OJATVTJDPVKGII-MQNAVGNWSA-N 0 0 444.553 4.413 40 0 IIABRN COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)o1 ZINC000009259855 556268050 /nfs/dbraw/zinc/26/80/50/556268050.db2.gz BZXUDVGPVKPWMX-GZTJUZNOSA-N 0 0 443.477 4.111 40 0 IIABRN CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712339 556284681 /nfs/dbraw/zinc/28/46/81/556284681.db2.gz LIHJRPAJESCSIH-QFIPXVFZSA-N 0 0 449.016 4.366 40 0 IIABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712231 556284799 /nfs/dbraw/zinc/28/47/99/556284799.db2.gz OSQRQWRMMWGYKS-INIZCTEOSA-N 0 0 431.341 4.185 40 0 IIABRN COc1cccc(/N=c2\scc(-c3ccc4c(c3)CC(=O)N4)n2Cc2ccccn2)c1 ZINC000009978985 556320179 /nfs/dbraw/zinc/32/01/79/556320179.db2.gz PURHVEHTBBZILO-LCUIJRPUSA-N 0 0 428.517 4.396 40 0 IIABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(Cl)ccc4OC)c3)nn12 ZINC000010010251 556322035 /nfs/dbraw/zinc/32/20/35/556322035.db2.gz PFSOXFAPESOHSZ-UHFFFAOYSA-N 0 0 443.916 4.338 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000010275935 556329082 /nfs/dbraw/zinc/32/90/82/556329082.db2.gz RTGQYQPOTSMZCR-QGZVFWFLSA-N 0 0 444.597 4.268 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010328073 556331849 /nfs/dbraw/zinc/33/18/49/556331849.db2.gz VGVWNJOFQDYSNB-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN COc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(OC)cc1Cl ZINC000010332728 556332448 /nfs/dbraw/zinc/33/24/48/556332448.db2.gz QCBRJFHTGZUKLB-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN COc1ccc(N(CCCC(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1Cl ZINC000010336821 556332798 /nfs/dbraw/zinc/33/27/98/556332798.db2.gz RFIMKUNLSREPEL-UHFFFAOYSA-N 0 0 430.998 4.124 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000010335387 556332848 /nfs/dbraw/zinc/33/28/48/556332848.db2.gz FWXLIAHFFSTDIJ-GOSISDBHSA-N 0 0 446.569 4.054 40 0 IIABRN COc1cc(CN2C(=O)[C@](O)(CC(C)=O)c3cc(C)cc(C)c32)ccc1OCCC(C)C ZINC000010335474 556332887 /nfs/dbraw/zinc/33/28/87/556332887.db2.gz HVEJLEOEWAEUHO-SANMLTNESA-N 0 0 439.552 4.450 40 0 IIABRN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010691811 556337616 /nfs/dbraw/zinc/33/76/16/556337616.db2.gz RBFJUSJROKZDMC-UHFFFAOYSA-N 0 0 447.428 4.374 40 0 IIABRN O=C(Nc1ccc2c3c(cccc31)CC2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010755973 556338005 /nfs/dbraw/zinc/33/80/05/556338005.db2.gz ITVSBVKKYGEYFA-KRWDZBQOSA-N 0 0 426.563 4.039 40 0 IIABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(OCC)c1 ZINC000214663534 556339817 /nfs/dbraw/zinc/33/98/17/556339817.db2.gz BEZWJMOYXGATDC-XDHOZWIPSA-N 0 0 426.494 4.159 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCOC3CCCCC3)cc2)cc1 ZINC000011355792 556340580 /nfs/dbraw/zinc/34/05/80/556340580.db2.gz XZLUNYJPSMZBMT-UHFFFAOYSA-N 0 0 444.597 4.289 40 0 IIABRN NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000013950824 556344265 /nfs/dbraw/zinc/34/42/65/556344265.db2.gz PTUSDWULMVYNMK-UHFFFAOYSA-N 0 0 437.908 4.455 40 0 IIABRN O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014002835 556353486 /nfs/dbraw/zinc/35/34/86/556353486.db2.gz FVAQKUFUSQAJNQ-UHFFFAOYSA-N 0 0 431.330 4.483 40 0 IIABRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000014224018 556393798 /nfs/dbraw/zinc/39/37/98/556393798.db2.gz RIISKVGVRVVNPK-UHFFFAOYSA-N 0 0 430.551 4.213 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291815 556411718 /nfs/dbraw/zinc/41/17/18/556411718.db2.gz ODHZABPDWWTQGX-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000014463024 556419409 /nfs/dbraw/zinc/41/94/09/556419409.db2.gz UYYDJMPOOOYXEF-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)Cc3ccccc3)o2)cc1 ZINC000039747791 556438454 /nfs/dbraw/zinc/43/84/54/556438454.db2.gz WJCLOSJQAGEBHE-UHFFFAOYSA-N 0 0 428.448 4.179 40 0 IIABRN COc1ccc(-c2noc(CCC(=O)N3CCC(Cc4ccccc4)CC3)n2)cc1OC ZINC000029631234 556479458 /nfs/dbraw/zinc/47/94/58/556479458.db2.gz NHTQGNROTASMAQ-UHFFFAOYSA-N 0 0 435.524 4.168 40 0 IIABRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1OC ZINC000015012398 556483756 /nfs/dbraw/zinc/48/37/56/556483756.db2.gz VNCJCWUQECAPAL-UHFFFAOYSA-N 0 0 440.521 4.090 40 0 IIABRN COc1cc(Br)cc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1O ZINC000015016462 556485769 /nfs/dbraw/zinc/48/57/69/556485769.db2.gz ASIAWLNEHZZMEA-XGICHPGQSA-N 0 0 425.076 4.419 40 0 IIABRN CC(=O)Oc1cc(C=Cc2cc(=O)c3ccccc3[nH]2)cc(Br)c1OC(C)=O ZINC000015016944 556486527 /nfs/dbraw/zinc/48/65/27/556486527.db2.gz CRDSRSDMDDOTQB-BQYQJAHWSA-N 0 0 442.265 4.312 40 0 IIABRN COc1cc(C(=O)N(C(=S)OCc2ccccn2)c2ccccc2)cc(OC)c1OC ZINC000013222912 556498951 /nfs/dbraw/zinc/49/89/51/556498951.db2.gz NAKZPLTVEMNQHD-UHFFFAOYSA-N 0 0 438.505 4.256 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c1 ZINC000015083380 556501600 /nfs/dbraw/zinc/50/16/00/556501600.db2.gz KXGJZNSLWAPTLV-UHFFFAOYSA-N 0 0 440.521 4.090 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCSc3ccccc3)c2)cc1 ZINC000015136567 556505799 /nfs/dbraw/zinc/50/57/99/556505799.db2.gz WWELQFYBWZQDIS-UHFFFAOYSA-N 0 0 426.563 4.318 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)c(OC)c1 ZINC000013512170 556510568 /nfs/dbraw/zinc/51/05/68/556510568.db2.gz DKOOADQKSGKMBE-UHFFFAOYSA-N 0 0 430.530 4.251 40 0 IIABRN COC(=O)c1ccc(CS(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000030865834 556512249 /nfs/dbraw/zinc/51/22/49/556512249.db2.gz URKDVCGJEHMYAJ-UHFFFAOYSA-N 0 0 448.393 4.133 40 0 IIABRN CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 ZINC000030867233 556512473 /nfs/dbraw/zinc/51/24/73/556512473.db2.gz PNGICGSSZAJSDG-UHFFFAOYSA-N 0 0 434.583 4.234 40 0 IIABRN Cc1c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000030869477 556513117 /nfs/dbraw/zinc/51/31/17/556513117.db2.gz BFOQKPBZCXWDCM-UHFFFAOYSA-N 0 0 435.505 4.078 40 0 IIABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)ccc21 ZINC000015243068 556513253 /nfs/dbraw/zinc/51/32/53/556513253.db2.gz XKEYKFNIPRFJMY-UHFFFAOYSA-N 0 0 436.533 4.366 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030869828 556513446 /nfs/dbraw/zinc/51/34/46/556513446.db2.gz RMBQQLNXQXMDGK-KBPBESRZSA-N 0 0 429.369 4.334 40 0 IIABRN CCn1cc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(OC)cc2)c(C)n1 ZINC000036615857 556513603 /nfs/dbraw/zinc/51/36/03/556513603.db2.gz DGEYVPMWGJWVGQ-HNNXBMFYSA-N 0 0 432.528 4.062 40 0 IIABRN CCCCc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000030938300 556515442 /nfs/dbraw/zinc/51/54/42/556515442.db2.gz PMADCRONSVQWIZ-JOCHJYFZSA-N 0 0 444.597 4.492 40 0 IIABRN Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)n1 ZINC000036616205 556516134 /nfs/dbraw/zinc/51/61/34/556516134.db2.gz DTZLIZNFJDUDEA-MRXNPFEDSA-N 0 0 428.540 4.238 40 0 IIABRN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)c12 ZINC000036616412 556516582 /nfs/dbraw/zinc/51/65/82/556516582.db2.gz NBPXWVRYMHTIQM-UHFFFAOYSA-N 0 0 445.592 4.272 40 0 IIABRN COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c1 ZINC000015354522 556522695 /nfs/dbraw/zinc/52/26/95/556522695.db2.gz HSGZNNYTMBMGJI-UHFFFAOYSA-N 0 0 438.549 4.101 40 0 IIABRN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000031771096 556526093 /nfs/dbraw/zinc/52/60/93/556526093.db2.gz ZUFRJXYMPGMUGG-KYXRZVFMSA-N 0 0 432.557 4.032 40 0 IIABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581792 556528100 /nfs/dbraw/zinc/52/81/00/556528100.db2.gz HCWSTPAIQBLPQQ-UHFFFAOYSA-N 0 0 438.549 4.085 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000015499533 556531339 /nfs/dbraw/zinc/53/13/39/556531339.db2.gz IRROYIKUEVXZID-UHFFFAOYSA-N 0 0 442.468 4.056 40 0 IIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2cccc(C)c2)cc1OC ZINC000032115332 556531590 /nfs/dbraw/zinc/53/15/90/556531590.db2.gz ZCVDSOUSJITCFO-UHFFFAOYSA-N 0 0 429.542 4.024 40 0 IIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(C)cc2)cc1OC ZINC000032115591 556531791 /nfs/dbraw/zinc/53/17/91/556531791.db2.gz WDMQWMSQZOHJQW-UHFFFAOYSA-N 0 0 429.542 4.024 40 0 IIABRN O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013597309 556532379 /nfs/dbraw/zinc/53/23/79/556532379.db2.gz TVXBNNHLJSPBRH-KEYYUXOJSA-N 0 0 433.213 4.097 40 0 IIABRN COc1ccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3Cl)n2)cc1OC ZINC000015582742 556535958 /nfs/dbraw/zinc/53/59/58/556535958.db2.gz WBBMLHIGIVDPNO-UHFFFAOYSA-N 0 0 436.295 4.310 40 0 IIABRN CC(C)Oc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000032286609 556537503 /nfs/dbraw/zinc/53/75/03/556537503.db2.gz FSMCXNQDORQYNM-INIZCTEOSA-N 0 0 436.961 4.167 40 0 IIABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2cc(OC)c(O)c(OC)c2)C1C(=O)OCC ZINC000013634981 556540636 /nfs/dbraw/zinc/54/06/36/556540636.db2.gz KBLDOIPYHGNRRU-OAQYLSRUSA-N 0 0 437.496 4.391 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032639717 556544049 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4.268 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032641000 556545723 /nfs/dbraw/zinc/54/57/23/556545723.db2.gz PGIVLAUBUUPBDS-DLBZAZTESA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3F)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032641176 556545928 /nfs/dbraw/zinc/54/59/28/556545928.db2.gz ULBOUNUBCMQMIL-DLBZAZTESA-N 0 0 445.368 4.408 40 0 IIABRN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013667505 556548676 /nfs/dbraw/zinc/54/86/76/556548676.db2.gz XVPONCICSRCCAV-CHWSQXEVSA-N 0 0 427.353 4.126 40 0 IIABRN Cc1cccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000013669387 556550097 /nfs/dbraw/zinc/55/00/97/556550097.db2.gz RSOLOMVNMZYARN-UHFFFAOYSA-N 0 0 428.941 4.160 40 0 IIABRN Cc1cccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccccc2)c1C ZINC000013671833 556552326 /nfs/dbraw/zinc/55/23/26/556552326.db2.gz DYMVSMVKEBPFAN-IBGZPJMESA-N 0 0 434.561 4.477 40 0 IIABRN O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013677021 556554824 /nfs/dbraw/zinc/55/48/24/556554824.db2.gz LJAGDOLVMKCCCQ-CQSZACIVSA-N 0 0 427.353 4.174 40 0 IIABRN O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013677821 556555496 /nfs/dbraw/zinc/55/54/96/556555496.db2.gz JDYGSJNQGLZKCM-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3ccco3)c2C)cc1 ZINC000013680666 556556284 /nfs/dbraw/zinc/55/62/84/556556284.db2.gz NYWDRIWTTALGTL-UHFFFAOYSA-N 0 0 444.578 4.360 40 0 IIABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC ZINC000013680526 556556380 /nfs/dbraw/zinc/55/63/80/556556380.db2.gz SWRBPYSSTDEXPE-UHFFFAOYSA-N 0 0 426.494 4.038 40 0 IIABRN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013680942 556556801 /nfs/dbraw/zinc/55/68/01/556556801.db2.gz DAVJUBBEBQJXII-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccco3)cc2C)cc1 ZINC000013682227 556557480 /nfs/dbraw/zinc/55/74/80/556557480.db2.gz KKJDZIWMZKOUIT-UHFFFAOYSA-N 0 0 444.578 4.360 40 0 IIABRN CCc1cccc(C)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016162327 556586549 /nfs/dbraw/zinc/58/65/49/556586549.db2.gz RYDWKGRJKAAEDQ-UHFFFAOYSA-N 0 0 436.577 4.430 40 0 IIABRN COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1S(=O)(=O)N(C)C ZINC000016163220 556587038 /nfs/dbraw/zinc/58/70/38/556587038.db2.gz CUCDILNGTYAVBJ-UHFFFAOYSA-N 0 0 437.732 4.158 40 0 IIABRN CC[C@H](C(=O)N[C@H](c1ccccc1)c1ccccc1C)N(c1ccccc1)S(C)(=O)=O ZINC000036127212 556593332 /nfs/dbraw/zinc/59/33/32/556593332.db2.gz LRYCJYPGXMUEGW-DNQXCXABSA-N 0 0 436.577 4.445 40 0 IIABRN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C1 ZINC000036627546 556599071 /nfs/dbraw/zinc/59/90/71/556599071.db2.gz YAEYXKCVDPDXTB-AOOOYVTPSA-N 0 0 443.135 4.436 40 0 IIABRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)N(c1ccccc1)C(C)C ZINC000036631352 556599192 /nfs/dbraw/zinc/59/91/92/556599192.db2.gz DDFXAHQYCITZEI-UHFFFAOYSA-N 0 0 440.569 4.419 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(C)cc2C)cc1 ZINC000016309651 556599193 /nfs/dbraw/zinc/59/91/93/556599193.db2.gz MQPPTWTXKZMLAX-UHFFFAOYSA-N 0 0 436.577 4.166 40 0 IIABRN Cc1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1Cl ZINC000016312995 556600108 /nfs/dbraw/zinc/60/01/08/556600108.db2.gz VWIWWWZBVACSFY-UHFFFAOYSA-N 0 0 430.698 4.380 40 0 IIABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1 ZINC000016323112 556600609 /nfs/dbraw/zinc/60/06/09/556600609.db2.gz ACGZKYJMPQCXMG-UHFFFAOYSA-N 0 0 439.322 4.111 40 0 IIABRN Cc1cccc(CNC(=O)NC[C@H]2CCC[C@H](CNC(=O)NCc3cccc(C)c3)C2)c1 ZINC000016349198 556602035 /nfs/dbraw/zinc/60/20/35/556602035.db2.gz LOJPYAXAZGDZMH-ZEQRLZLVSA-N 0 0 436.600 4.408 40 0 IIABRN COc1ccc(NC(=S)NC(=O)COc2ccc(C(C)C)cc2)cc1Br ZINC000016575930 556615778 /nfs/dbraw/zinc/61/57/78/556615778.db2.gz WIGLTYFJGDAYDZ-UHFFFAOYSA-N 0 0 437.359 4.473 40 0 IIABRN Cc1ccc(Cl)cc1N(CCCC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000038755856 556617809 /nfs/dbraw/zinc/61/78/09/556617809.db2.gz ZSSJRINANLDQTE-HXUWFJFHSA-N 0 0 434.989 4.388 40 0 IIABRN CCc1ccccc1N(CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O ZINC000038756038 556617832 /nfs/dbraw/zinc/61/78/32/556617832.db2.gz WRTSLTALUUTXGV-RUZDIDTESA-N 0 0 436.577 4.229 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000038756872 556618722 /nfs/dbraw/zinc/61/87/22/556618722.db2.gz INROIKUXYPEMON-IBGZPJMESA-N 0 0 434.989 4.262 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000038771282 556619010 /nfs/dbraw/zinc/61/90/10/556619010.db2.gz FMPYXUDRGKGPMA-GOSISDBHSA-N 0 0 438.549 4.320 40 0 IIABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000038772929 556619379 /nfs/dbraw/zinc/61/93/79/556619379.db2.gz LHOMNZGJTBBVHL-VWLOTQADSA-N 0 0 448.588 4.440 40 0 IIABRN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnc2c(-c3cccc(Cl)c3)cnn21 ZINC000038829658 556620989 /nfs/dbraw/zinc/62/09/89/556620989.db2.gz RGHNLHMMGLKWMG-UHFFFAOYSA-N 0 0 445.954 4.316 40 0 IIABRN COc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 ZINC000514289679 556623877 /nfs/dbraw/zinc/62/38/77/556623877.db2.gz NLIJQWOCZQTFIQ-OHSXHVKISA-N 0 0 448.538 4.331 40 0 biogenic,in-vitro IIABRN CCN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2Cl)CC1 ZINC000016681547 556624167 /nfs/dbraw/zinc/62/41/67/556624167.db2.gz ILMPWHXBXZPDQR-DHZHZOJOSA-N 0 0 428.989 4.008 40 0 IIABRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1 ZINC000039858241 556630206 /nfs/dbraw/zinc/63/02/06/556630206.db2.gz PUEVDMKLCBSUJP-JTQLQIEISA-N 0 0 446.082 4.460 40 0 IIABRN O=C(C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964032 556630929 /nfs/dbraw/zinc/63/09/29/556630929.db2.gz MXJHJUNVQRZVAL-JOCHJYFZSA-N 0 0 428.467 4.335 40 0 IIABRN O=C(C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000039964023 556630947 /nfs/dbraw/zinc/63/09/47/556630947.db2.gz PXOFTRASHMNJAN-QFIPXVFZSA-N 0 0 428.467 4.335 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(Cl)c2C)cc1Cl ZINC000039986504 556632998 /nfs/dbraw/zinc/63/29/98/556632998.db2.gz LKPDAYLVCJLOOW-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccc(OC)cc1 ZINC000040372602 556635241 /nfs/dbraw/zinc/63/52/41/556635241.db2.gz ZQWCJPMDGSATAZ-UHFFFAOYSA-N 0 0 431.496 4.124 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000044902452 556678544 /nfs/dbraw/zinc/67/85/44/556678544.db2.gz IXBPZVUSKGFYNB-QFIPXVFZSA-N 0 0 432.586 4.126 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)c1 ZINC000044904522 556679528 /nfs/dbraw/zinc/67/95/28/556679528.db2.gz GMYHVUTUAPDDJA-XMMPIXPASA-N 0 0 442.625 4.440 40 0 IIABRN COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000044907069 556680095 /nfs/dbraw/zinc/68/00/95/556680095.db2.gz XPRYHEVDXKPHMF-UHFFFAOYSA-N 0 0 445.401 4.419 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)c1 ZINC000018076039 556682947 /nfs/dbraw/zinc/68/29/47/556682947.db2.gz PRECXFBHCCAXNR-UHFFFAOYSA-N 0 0 430.551 4.052 40 0 IIABRN CCSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000044938725 556683224 /nfs/dbraw/zinc/68/32/24/556683224.db2.gz QSTXOOHCUMXQEB-LJQANCHMSA-N 0 0 448.610 4.262 40 0 IIABRN CC(C)(C)N1C(=O)C(=Nc2ccc(N3CCCCC3)cc2)C(c2ccccc2)S1(=O)=O ZINC000138076148 556686158 /nfs/dbraw/zinc/68/61/58/556686158.db2.gz IVANYIPLGFVBGR-UHFFFAOYSA-N 0 0 439.581 4.428 40 0 in-vitro IIABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000018212397 556687146 /nfs/dbraw/zinc/68/71/46/556687146.db2.gz OQKMESKLAANFGR-IBGZPJMESA-N 0 0 440.609 4.152 40 0 IIABRN O=C(NCCSc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000018214715 556687402 /nfs/dbraw/zinc/68/74/02/556687402.db2.gz BWUVBVCDKAOYTJ-UHFFFAOYSA-N 0 0 430.526 4.149 40 0 IIABRN CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000019017801 556692814 /nfs/dbraw/zinc/69/28/14/556692814.db2.gz WAQGPIIHPDJFTR-JOCHJYFZSA-N 0 0 448.394 4.148 40 0 IIABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc([S@@](=O)Cc2ccccc2)s1 ZINC000170609113 556692935 /nfs/dbraw/zinc/69/29/35/556692935.db2.gz CWOLCQOYMLFZQF-AGNKNGJXSA-N 0 0 430.382 4.376 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000000806913 556697267 /nfs/dbraw/zinc/69/72/67/556697267.db2.gz AQCTYZXUXOQAIN-UHFFFAOYSA-N 0 0 443.352 4.041 40 0 IIABRN CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082353 556697424 /nfs/dbraw/zinc/69/74/24/556697424.db2.gz NLTGBYBPOLBEQY-JLSDUUJJSA-N 0 0 441.542 4.065 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc(CSCc2ccc(F)cc2)n1C ZINC000000814517 556698704 /nfs/dbraw/zinc/69/87/04/556698704.db2.gz VPWVOQJRZBMKRZ-UHFFFAOYSA-N 0 0 432.546 4.127 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@H](c3nc(C)cc(-c4cccs4)n3)C2)cc1OC ZINC000019117706 556700274 /nfs/dbraw/zinc/70/02/74/556700274.db2.gz DVDGQBIRRIWRMG-SFHVURJKSA-N 0 0 437.565 4.479 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cc(-c5ccccc5)n[nH]4)C3)cc2n1 ZINC000019117037 556700313 /nfs/dbraw/zinc/70/03/13/556700313.db2.gz LYHFYNVLQBACDQ-HNNXBMFYSA-N 0 0 440.429 4.076 40 0 IIABRN COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCCCC[C@H]3c3cc(C)no3)C2)cc1Cl ZINC000019120094 556700803 /nfs/dbraw/zinc/70/08/03/556700803.db2.gz BIFXODTXORLRDT-LAUBAEHRSA-N 0 0 447.919 4.291 40 0 IIABRN O=C(c1ccccc1Cn1cccn1)N1CCC[C@]2(CN(c3cccc(F)c3)C(=O)O2)CC1 ZINC000257202564 556701272 /nfs/dbraw/zinc/70/12/72/556701272.db2.gz AMJKCSBBMUOCTG-RUZDIDTESA-N 0 0 448.498 4.092 40 0 IIABRN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3cccc(F)c3)CC2)on1 ZINC000019122860 556701667 /nfs/dbraw/zinc/70/16/67/556701667.db2.gz CACSMOHLBJXSGQ-UHFFFAOYSA-N 0 0 435.503 4.102 40 0 IIABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccn3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000138429817 556702691 /nfs/dbraw/zinc/70/26/91/556702691.db2.gz CABXKYXOJAOEDY-UFYCRDLUSA-N 0 0 439.393 4.152 40 0 IIABRN CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)c2cccnc2)CC1 ZINC000257316963 556703726 /nfs/dbraw/zinc/70/37/26/556703726.db2.gz VHSOGSUHABJPPZ-UHFFFAOYSA-N 0 0 431.511 4.099 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)c(=O)[nH]1 ZINC000019131412 556704455 /nfs/dbraw/zinc/70/44/55/556704455.db2.gz JMLUFZVFGCFCOX-CYBMUJFWSA-N 0 0 448.445 4.382 40 0 IIABRN CC(=O)N1CCN(Cc2cccc(Oc3ncccn3)c2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257339932 556707212 /nfs/dbraw/zinc/70/72/12/556707212.db2.gz ZDUOXXIMONDIOI-RUZDIDTESA-N 0 0 446.551 4.462 40 0 IIABRN COc1cccc(CCC(=O)N2CC[C@H](c3cc(-c4ccc(C)cc4)nc(N(C)C)n3)C2)c1 ZINC000019212168 556709691 /nfs/dbraw/zinc/70/96/91/556709691.db2.gz CKNFOCYHTNBUGP-QFIPXVFZSA-N 0 0 444.579 4.475 40 0 IIABRN Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)cc2)cc1 ZINC000019212415 556709952 /nfs/dbraw/zinc/70/99/52/556709952.db2.gz MGHBLJPERWIZRP-HHHXNRCGSA-N 0 0 444.579 4.459 40 0 IIABRN COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccc(C)cc3)C2)cc1 ZINC000019212864 556710512 /nfs/dbraw/zinc/71/05/12/556710512.db2.gz CVVQMMSNNFWPOU-XMMPIXPASA-N 0 0 442.559 4.030 40 0 IIABRN COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000257246041 556711055 /nfs/dbraw/zinc/71/10/55/556711055.db2.gz ISENLSUEGVMKSC-XMMPIXPASA-N 0 0 428.532 4.259 40 0 IIABRN CC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1C ZINC000019214363 556711370 /nfs/dbraw/zinc/71/13/70/556711370.db2.gz SVTDNZIZIZQZPJ-JOCHJYFZSA-N 0 0 433.556 4.089 40 0 IIABRN COc1ccc(-c2cccc(CC3(C(=O)NCCc4ccncc4)CCOCC3)c2)cc1 ZINC000257253742 556712043 /nfs/dbraw/zinc/71/20/43/556712043.db2.gz KABPJKPMZHHZBK-UHFFFAOYSA-N 0 0 430.548 4.455 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC2(C[C@H](Oc3ccccc3F)CO2)CC1 ZINC000257268972 556713475 /nfs/dbraw/zinc/71/34/75/556713475.db2.gz MOAKCPUBEQBEQN-NRFANRHFSA-N 0 0 449.526 4.222 40 0 IIABRN COc1ccc([C@H]2N(C(=O)c3cc4cc(C)ccc4n3C)CCC[C@]23CCC(=O)N3)cc1 ZINC000019221217 556715462 /nfs/dbraw/zinc/71/54/62/556715462.db2.gz TVRMVFFDAPCGCS-RSXGOPAZSA-N 0 0 431.536 4.121 40 0 IIABRN O=C(N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2)C1(c2cccc(F)c2)CCCC1 ZINC000257307889 556717977 /nfs/dbraw/zinc/71/79/77/556717977.db2.gz TUNOLGBGEVQHNI-BKMJKUGQSA-N 0 0 438.518 4.442 40 0 IIABRN Cc1cccc(OC(C)(C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 ZINC000019235138 556719660 /nfs/dbraw/zinc/71/96/60/556719660.db2.gz SHZBGENJACYNQU-QFIPXVFZSA-N 0 0 444.535 4.126 40 0 IIABRN Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 ZINC000019236057 556720786 /nfs/dbraw/zinc/72/07/86/556720786.db2.gz PKUHTOPYEVRMLR-QFIPXVFZSA-N 0 0 445.567 4.354 40 0 IIABRN Cc1ccccc1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[nH]c(C(C)C)n1 ZINC000019237098 556722110 /nfs/dbraw/zinc/72/21/10/556722110.db2.gz ACVHWQMNYMQEMK-QFIPXVFZSA-N 0 0 428.536 4.326 40 0 IIABRN Cc1cnc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)cn1 ZINC000019238869 556724449 /nfs/dbraw/zinc/72/44/49/556724449.db2.gz UKUCLWMFKRNNEP-ZDUSSCGKSA-N 0 0 433.459 4.342 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)c1cccc(OC)c1 ZINC000000871547 556726650 /nfs/dbraw/zinc/72/66/50/556726650.db2.gz CMKLUGQDBBBIPL-UHFFFAOYSA-N 0 0 442.468 4.495 40 0 IIABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1C ZINC000000874404 556728981 /nfs/dbraw/zinc/72/89/81/556728981.db2.gz MIMSDVQNGRXWHS-QFIPXVFZSA-N 0 0 435.593 4.201 40 0 IIABRN Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(Br)cc1Br ZINC000054363036 556730501 /nfs/dbraw/zinc/73/05/01/556730501.db2.gz MPAXDWWMXSBTAD-UHFFFAOYSA-N 0 0 425.186 4.473 40 0 IIABRN O=C([C@@H]1CCCO1)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 ZINC000019294174 556734171 /nfs/dbraw/zinc/73/41/71/556734171.db2.gz AOWMJRBCSPEEBE-QFIPXVFZSA-N 0 0 447.514 4.306 40 0 IIABRN Cc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1 ZINC000000891865 556740211 /nfs/dbraw/zinc/74/02/11/556740211.db2.gz OTBFSNQEVWUQHL-UHFFFAOYSA-N 0 0 436.508 4.367 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)cc12 ZINC000000894170 556740481 /nfs/dbraw/zinc/74/04/81/556740481.db2.gz SOVIZIDEVKWHGA-XMMPIXPASA-N 0 0 440.551 4.399 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Cc1cc(C)c2nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[nH]3)nc(C)c2c1 ZINC000019817389 556920148 /nfs/dbraw/zinc/92/01/48/556920148.db2.gz ULTNKNCPVKPYNH-UHFFFAOYSA-N 0 0 433.541 4.081 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(F)c1 ZINC000019820186 556923667 /nfs/dbraw/zinc/92/36/67/556923667.db2.gz BTPQQSJPNDTYJD-PKTZIBPZSA-N 0 0 443.478 4.491 40 0 IIABRN CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352374 556923805 /nfs/dbraw/zinc/92/38/05/556923805.db2.gz KRYUMVJJGORDEX-OAHLLOKOSA-N 0 0 425.529 4.170 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2ccccc2)cc1 ZINC000409028963 556924910 /nfs/dbraw/zinc/92/49/10/556924910.db2.gz VRNXMTAPISNMSL-UHFFFAOYSA-N 0 0 442.581 4.287 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000072353316 556926265 /nfs/dbraw/zinc/92/62/65/556926265.db2.gz CNHXZFWCRRHBOT-HXUWFJFHSA-N 0 0 431.540 4.189 40 0 IIABRN C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000409026896 556926413 /nfs/dbraw/zinc/92/64/13/556926413.db2.gz FCVTWCQKWXEDGR-KRWDZBQOSA-N 0 0 428.941 4.413 40 0 IIABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnc(N(C)C)nc4C)C3)c2)c1 ZINC000072354184 556929311 /nfs/dbraw/zinc/92/93/11/556929311.db2.gz RXEQVEFJPFGQKV-HSZRJFAPSA-N 0 0 443.595 4.473 40 0 IIABRN O=C(c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccccn1)N1CCOCC1 ZINC000072370431 556934800 /nfs/dbraw/zinc/93/48/00/556934800.db2.gz KDCLAOHOZVITEJ-SFHVURJKSA-N 0 0 449.576 4.006 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000019867791 556934849 /nfs/dbraw/zinc/93/48/49/556934849.db2.gz HRSAICJBAQXKCD-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019867993 556935011 /nfs/dbraw/zinc/93/50/11/556935011.db2.gz SBXDEUOBOVZFTL-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019868028 556935052 /nfs/dbraw/zinc/93/50/52/556935052.db2.gz IVSZONGLQJPEEF-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1c1cc(C)nc(C)n1 ZINC000072370549 556935288 /nfs/dbraw/zinc/93/52/88/556935288.db2.gz KBMBNVDDZGGKPR-GOSISDBHSA-N 0 0 438.597 4.286 40 0 IIABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000019868627 556935494 /nfs/dbraw/zinc/93/54/94/556935494.db2.gz OBMWYRAUMWPYST-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1sc(NC)nc1C ZINC000072370616 556935809 /nfs/dbraw/zinc/93/58/09/556935809.db2.gz MOXZHWBYKAXTRC-AWEZNQCLSA-N 0 0 442.610 4.305 40 0 IIABRN O=C(c1ccc2ncccc2c1)N1CC[C@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000072371449 556938532 /nfs/dbraw/zinc/93/85/32/556938532.db2.gz NLFSMQLRLGVIMQ-IBGZPJMESA-N 0 0 430.483 4.348 40 0 IIABRN Cc1nccn1CCC(=O)N1CCC([C@@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000072371982 556941655 /nfs/dbraw/zinc/94/16/55/556941655.db2.gz JVLAWNPMZAWBMT-AREMUKBSSA-N 0 0 436.600 4.039 40 0 IIABRN O=C1N/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccccc1F ZINC000409066431 556941878 /nfs/dbraw/zinc/94/18/78/556941878.db2.gz NAZIFVIMBBHUAW-XDHOZWIPSA-N 0 0 440.272 4.472 40 0 IIABRN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2S(=O)(=O)CCCc2ccccc2)n1 ZINC000072372726 556944098 /nfs/dbraw/zinc/94/40/98/556944098.db2.gz AWJANBJYWXCCBH-QFIPXVFZSA-N 0 0 437.569 4.023 40 0 IIABRN COc1ccc(-c2nnc(CSc3n[nH]c(-c4ccccc4Cl)n3)o2)cc1OC ZINC000019928216 556946137 /nfs/dbraw/zinc/94/61/37/556946137.db2.gz SWVRWJANOCPENF-UHFFFAOYSA-N 0 0 429.889 4.485 40 0 IIABRN Cc1ccccc1OCCCNc1cc([C@H](C)n2ncc3ccccc3c2=O)nc(C)n1 ZINC000072373350 556946610 /nfs/dbraw/zinc/94/66/10/556946610.db2.gz FNOGKRPCEOWTLZ-SFHVURJKSA-N 0 0 429.524 4.294 40 0 IIABRN COc1cccc(-c2nnc(CSc3nnc(-c4cc(OC)cc(OC)c4)o3)o2)c1 ZINC000019929019 556947110 /nfs/dbraw/zinc/94/71/10/556947110.db2.gz PFYGYUKHNOXAHA-UHFFFAOYSA-N 0 0 426.454 4.105 40 0 IIABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000409080348 556947227 /nfs/dbraw/zinc/94/72/27/556947227.db2.gz NFHLUZSXIFLIEA-UHFFFAOYSA-N 0 0 436.430 4.214 40 0 IIABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cccc2ccccc21 ZINC000019935269 556950714 /nfs/dbraw/zinc/95/07/14/556950714.db2.gz SAPOJPKHOZHOCT-UHFFFAOYSA-N 0 0 444.940 4.295 40 0 IIABRN COc1ccc([C@@H](CC(=O)NC2CCCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935787 556950882 /nfs/dbraw/zinc/95/08/82/556950882.db2.gz MEJZKAWDPLSEJH-HSZRJFAPSA-N 0 0 444.597 4.286 40 0 IIABRN COc1ccc([C@@H](CC(=O)Nc2cccc(F)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935929 556951167 /nfs/dbraw/zinc/95/11/67/556951167.db2.gz MOXMOHLDAFFURO-JOCHJYFZSA-N 0 0 442.512 4.225 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375681 556952573 /nfs/dbraw/zinc/95/25/73/556952573.db2.gz INYFIEVVKZXIQY-SFHVURJKSA-N 0 0 442.516 4.202 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ccc(F)cn3)n2)cc1C ZINC000072375672 556952603 /nfs/dbraw/zinc/95/26/03/556952603.db2.gz FBUIKOPRTJKPRE-IBGZPJMESA-N 0 0 442.516 4.202 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)s1 ZINC000072376656 556955444 /nfs/dbraw/zinc/95/54/44/556955444.db2.gz QBQLNEDKKDKGTQ-QGZVFWFLSA-N 0 0 439.560 4.442 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2C)c(C)c1 ZINC000020004371 556957765 /nfs/dbraw/zinc/95/77/65/556957765.db2.gz ODJVPPAIAKFZIT-QHCPKHFHSA-N 0 0 436.577 4.449 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007856 556959125 /nfs/dbraw/zinc/95/91/25/556959125.db2.gz LBDOOLHRLZODOV-NRFANRHFSA-N 0 0 446.931 4.316 40 0 IIABRN COCc1ccc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccc(C)cc3)C2)cc1 ZINC000072391046 556961594 /nfs/dbraw/zinc/96/15/94/556961594.db2.gz CTEDCOIJPORQLO-VWLOTQADSA-N 0 0 442.559 4.239 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cc[nH]n2)C1 ZINC000072391226 556961789 /nfs/dbraw/zinc/96/17/89/556961789.db2.gz MXHSRSHWQUXQDF-AREMUKBSSA-N 0 0 430.552 4.066 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(F)c3F)C2)c(C)c1 ZINC000020017114 556962641 /nfs/dbraw/zinc/96/26/41/556962641.db2.gz SHULFJFMWVHDFF-HNNXBMFYSA-N 0 0 440.487 4.069 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000020023677 556966155 /nfs/dbraw/zinc/96/61/55/556966155.db2.gz RMMNIBHBZGOWLW-GOSISDBHSA-N 0 0 444.597 4.116 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cc(F)ccc1F ZINC000020024081 556966271 /nfs/dbraw/zinc/96/62/71/556966271.db2.gz SEQAPBQRBVMKQN-UHFFFAOYSA-N 0 0 430.476 4.015 40 0 IIABRN COC(=O)Cn1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 ZINC000409131327 556967749 /nfs/dbraw/zinc/96/77/49/556967749.db2.gz IGIDCQXYCKRWSC-STZFKDTASA-N 0 0 434.517 4.483 40 0 IIABRN O=C(C1CCCCC1)N1CCC[C@H](c2nn(CCOc3ccccc3)c3nccnc23)C1 ZINC000072395885 556968309 /nfs/dbraw/zinc/96/83/09/556968309.db2.gz VKDUADUFSHJEGQ-FQEVSTJZSA-N 0 0 433.556 4.192 40 0 IIABRN COc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)cc(OC)c1OC ZINC000072396198 556969025 /nfs/dbraw/zinc/96/90/25/556969025.db2.gz RERRPWVAWQWPNH-HXUWFJFHSA-N 0 0 449.551 4.401 40 0 IIABRN COc1ccc(OC)c(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)c1 ZINC000072396213 556969028 /nfs/dbraw/zinc/96/90/28/556969028.db2.gz ZYHWTCYFCFYRTD-QFIPXVFZSA-N 0 0 433.552 4.321 40 0 IIABRN COC(=O)[C@@H]1C(=O)Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2[C@H]1c1ccccc1 ZINC000409135485 556969141 /nfs/dbraw/zinc/96/91/41/556969141.db2.gz RKHVWIDGHHVPGV-ZBFHGGJFSA-N 0 0 440.908 4.088 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000409136089 556969434 /nfs/dbraw/zinc/96/94/34/556969434.db2.gz WVJGMFJWNUFHRR-LLVKDONJSA-N 0 0 441.698 4.182 40 0 IIABRN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000072396835 556969707 /nfs/dbraw/zinc/96/97/07/556969707.db2.gz DHPLQUBERNZSNX-UGKGYDQZSA-N 0 0 448.592 4.166 40 0 IIABRN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000072396834 556969762 /nfs/dbraw/zinc/96/97/62/556969762.db2.gz DHPLQUBERNZSNX-KNQAVFIVSA-N 0 0 448.592 4.166 40 0 IIABRN COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(-c2cccs2)no1 ZINC000072397001 556969982 /nfs/dbraw/zinc/96/99/82/556969982.db2.gz QFHNJAKUPPFVPJ-QGZVFWFLSA-N 0 0 434.521 4.464 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000020039322 556971322 /nfs/dbraw/zinc/97/13/22/556971322.db2.gz HHORQYNCVQCOIM-KRWDZBQOSA-N 0 0 426.513 4.450 40 0 IIABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)c(Cl)c1 ZINC000020044468 556972705 /nfs/dbraw/zinc/97/27/05/556972705.db2.gz KQIXCVFMNOGMTB-UHFFFAOYSA-N 0 0 433.382 4.028 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000020046102 556973276 /nfs/dbraw/zinc/97/32/76/556973276.db2.gz CMRBRXYYFQITQE-PGRDOPGGSA-N 0 0 432.586 4.124 40 0 IIABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409148895 556974190 /nfs/dbraw/zinc/97/41/90/556974190.db2.gz UATSCJIKCOLSAR-KRWDZBQOSA-N 0 0 437.569 4.137 40 0 IIABRN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1Cl ZINC000020061772 556976296 /nfs/dbraw/zinc/97/62/96/556976296.db2.gz 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CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1)c1ccc(C)cc1C ZINC000219251972 557233194 /nfs/dbraw/zinc/23/31/94/557233194.db2.gz FYPLACOECWFGPN-DEOSSOPVSA-N 0 0 442.625 4.421 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1C ZINC000219256035 557233937 /nfs/dbraw/zinc/23/39/37/557233937.db2.gz YLWIMLGKCOLXNK-GOSISDBHSA-N 0 0 449.016 4.376 40 0 IIABRN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)c2ccccc2F)CC[C@@]1(C)O ZINC000604383114 557237393 /nfs/dbraw/zinc/23/73/93/557237393.db2.gz KIRQYYKSEAIWRV-SXWKCWPCSA-N 0 0 432.561 4.146 40 0 biogenic,in-vitro IIABRN Cc1cccc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1C ZINC000219311555 557237639 /nfs/dbraw/zinc/23/76/39/557237639.db2.gz JCKRJULXVHZARO-AWEZNQCLSA-N 0 0 430.302 4.200 40 0 IIABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000219319299 557237649 /nfs/dbraw/zinc/23/76/49/557237649.db2.gz DARHMCDWOWPSDY-KRWDZBQOSA-N 0 0 430.302 4.281 40 0 IIABRN 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IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccccc1F ZINC000223305835 557457240 /nfs/dbraw/zinc/45/72/40/557457240.db2.gz MXUWLYQDFCWKKD-UHFFFAOYSA-N 0 0 428.485 4.018 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000223325572 557459239 /nfs/dbraw/zinc/45/92/39/557459239.db2.gz HVWCOMMYEXWZQE-KRWDZBQOSA-N 0 0 427.303 4.065 40 0 IIABRN Cc1cccc([C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000223332963 557460038 /nfs/dbraw/zinc/46/00/38/557460038.db2.gz GRCRWLNGQKQNLD-HSZRJFAPSA-N 0 0 442.968 4.175 40 0 IIABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223353404 557461678 /nfs/dbraw/zinc/46/16/78/557461678.db2.gz SATZELQKKSQBMX-VPUSJEBWSA-N 0 0 442.559 4.294 40 0 IIABRN O=C(NCc1ccccc1)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000015936176 557467549 /nfs/dbraw/zinc/46/75/49/557467549.db2.gz MIGQCEPDAXWKMX-QFIPXVFZSA-N 0 0 446.507 4.382 40 0 IIABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000033617810 557469138 /nfs/dbraw/zinc/46/91/38/557469138.db2.gz BONOCQLXAXKOLV-UHFFFAOYSA-N 0 0 445.368 4.254 40 0 IIABRN COC(=O)c1ccc(Nc2ccc(F)cc2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000223419209 557470015 /nfs/dbraw/zinc/47/00/15/557470015.db2.gz TYEZSUOLWPOQNS-UHFFFAOYSA-N 0 0 430.457 4.165 40 0 IIABRN COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CCCC2)cc1 ZINC000223426559 557471022 /nfs/dbraw/zinc/47/10/22/557471022.db2.gz MMUXDGCCKCQLAZ-UHFFFAOYSA-N 0 0 432.542 4.416 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C ZINC000223454118 557473793 /nfs/dbraw/zinc/47/37/93/557473793.db2.gz RPBPPRKZNCUWCT-DEOSSOPVSA-N 0 0 448.538 4.289 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000223453550 557473807 /nfs/dbraw/zinc/47/38/07/557473807.db2.gz WHXVOYSZTXARNS-VWLOTQADSA-N 0 0 432.539 4.453 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223453945 557473857 /nfs/dbraw/zinc/47/38/57/557473857.db2.gz BPDWTIGPULYCES-FQEVSTJZSA-N 0 0 426.557 4.024 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223458847 557474616 /nfs/dbraw/zinc/47/46/16/557474616.db2.gz RZFWKRAFARNBNO-GOSISDBHSA-N 0 0 438.549 4.320 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223458387 557474672 /nfs/dbraw/zinc/47/46/72/557474672.db2.gz CRJXTIPFDFRGAZ-OAQYLSRUSA-N 0 0 440.584 4.333 40 0 IIABRN CCc1ccccc1N(CC(=O)Nc1cccc(COC)c1)S(=O)(=O)c1ccccc1 ZINC000223474594 557476295 /nfs/dbraw/zinc/47/62/95/557476295.db2.gz HVZVYYPOIKIVNK-UHFFFAOYSA-N 0 0 438.549 4.229 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000223476799 557476482 /nfs/dbraw/zinc/47/64/82/557476482.db2.gz OJTSXXLZLMCAPC-HXUWFJFHSA-N 0 0 428.598 4.419 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1C ZINC000223479132 557476949 /nfs/dbraw/zinc/47/69/49/557476949.db2.gz APSLABPURCBGDY-LJQANCHMSA-N 0 0 432.586 4.042 40 0 IIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3)cc2Cl)CC1 ZINC000017096709 557477470 /nfs/dbraw/zinc/47/74/70/557477470.db2.gz UCBWMXKZRAZOHM-UHFFFAOYSA-N 0 0 429.948 4.115 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccncc1 ZINC000223484012 557477813 /nfs/dbraw/zinc/47/78/13/557477813.db2.gz RQTYXFPVKMOJPJ-IAGOWNOFSA-N 0 0 431.384 4.473 40 0 IIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1cccnc1 ZINC000223490638 557478796 /nfs/dbraw/zinc/47/87/96/557478796.db2.gz ZBGMNLTTXYQDHV-GOTSBHOMSA-N 0 0 426.549 4.143 40 0 IIABRN Cc1ccccc1OCC(=O)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017097531 557479197 /nfs/dbraw/zinc/47/91/97/557479197.db2.gz RKWPPSBEOUGQSI-UHFFFAOYSA-N 0 0 431.517 4.373 40 0 IIABRN Cc1cc(Cl)ccc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccccc1 ZINC000223510487 557480679 /nfs/dbraw/zinc/48/06/79/557480679.db2.gz CIMRVOYFHRASFJ-UHFFFAOYSA-N 0 0 432.973 4.460 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000223512794 557481137 /nfs/dbraw/zinc/48/11/37/557481137.db2.gz ZBNFVZSWVPHQBN-ZDUSSCGKSA-N 0 0 429.369 4.199 40 0 IIABRN O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017095123 557485502 /nfs/dbraw/zinc/48/55/02/557485502.db2.gz PCVAHIUMOVVXEW-KRWDZBQOSA-N 0 0 426.822 4.115 40 0 IIABRN CCc1ccccc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000223557201 557485696 /nfs/dbraw/zinc/48/56/96/557485696.db2.gz QUCLUQOGSDNEEW-UHFFFAOYSA-N 0 0 426.582 4.369 40 0 IIABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cc2c(C)n[nH]c2C)cc1 ZINC000017096246 557488137 /nfs/dbraw/zinc/48/81/37/557488137.db2.gz BEMNKQHKIDJFPD-UHFFFAOYSA-N 0 0 428.945 4.406 40 0 IIABRN OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223591965 557489879 /nfs/dbraw/zinc/48/98/79/557489879.db2.gz CYAVQQKOKLHCSF-RTBURBONSA-N 0 0 444.354 4.069 40 0 IIABRN Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)COc2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000223595768 557490198 /nfs/dbraw/zinc/49/01/98/557490198.db2.gz ISQJAUPNXATYHC-NRFANRHFSA-N 0 0 446.613 4.050 40 0 IIABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)cc1 ZINC000223600880 557490640 /nfs/dbraw/zinc/49/06/40/557490640.db2.gz WLODHVLRNJEZIA-UHFFFAOYSA-N 0 0 445.541 4.088 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000223614439 557492027 /nfs/dbraw/zinc/49/20/27/557492027.db2.gz JYXIFWQSDMXTAB-HSZRJFAPSA-N 0 0 440.584 4.413 40 0 IIABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223625470 557493521 /nfs/dbraw/zinc/49/35/21/557493521.db2.gz JXOPYDQAHRCEMW-PMACEKPBSA-N 0 0 446.498 4.246 40 0 IIABRN CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000223630406 557494025 /nfs/dbraw/zinc/49/40/25/557494025.db2.gz QMQHHESKAGBHAN-UHFFFAOYSA-N 0 0 442.324 4.062 40 0 IIABRN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118928262 557495150 /nfs/dbraw/zinc/49/51/50/557495150.db2.gz BPYSIBBIDTVCQX-GBAHCCLZSA-N 0 0 434.617 4.135 40 0 IIABRN Cc1ccc2nc(COC(=O)CC34C[C@H]5C[C@H](CC(Br)(C5)C3)C4)cc(=O)n2c1 ZINC000018258661 557497209 /nfs/dbraw/zinc/49/72/09/557497209.db2.gz XIRCMLNDDPGJRT-MBWAJUJLSA-N 0 0 445.357 4.170 40 0 IIABRN CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc2O1 ZINC000223659357 557498541 /nfs/dbraw/zinc/49/85/41/557498541.db2.gz REMKZVKZXZVZOP-UHFFFAOYSA-N 0 0 443.306 4.196 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223682063 557501635 /nfs/dbraw/zinc/50/16/35/557501635.db2.gz WCEQPNVIHVOJPA-SFTDATJTSA-N 0 0 440.956 4.061 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223701584 557503872 /nfs/dbraw/zinc/50/38/72/557503872.db2.gz HVHAPFHQFXLISL-NHCUHLMSSA-N 0 0 425.485 4.016 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223706153 557504391 /nfs/dbraw/zinc/50/43/91/557504391.db2.gz OXMUJEQLHARMIY-MRXNPFEDSA-N 0 0 449.938 4.007 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000223707453 557504450 /nfs/dbraw/zinc/50/44/50/557504450.db2.gz BTOQFIXZKDNJKZ-RPWUZVMVSA-N 0 0 448.592 4.333 40 0 IIABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223724606 557506557 /nfs/dbraw/zinc/50/65/57/557506557.db2.gz YRDSYQGECABBAU-NRFANRHFSA-N 0 0 446.613 4.032 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223729980 557506708 /nfs/dbraw/zinc/50/67/08/557506708.db2.gz BLDMEBYQWRVXQF-FCHUYYIVSA-N 0 0 426.586 4.314 40 0 IIABRN CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000223766461 557510454 /nfs/dbraw/zinc/51/04/54/557510454.db2.gz XTYWQGZLLOSQOY-UHFFFAOYSA-N 0 0 449.016 4.019 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(F)cc1 ZINC000223777133 557511717 /nfs/dbraw/zinc/51/17/17/557511717.db2.gz FLEYUVCPCGIMPO-VWLOTQADSA-N 0 0 448.538 4.153 40 0 IIABRN Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000223776802 557511758 /nfs/dbraw/zinc/51/17/58/557511758.db2.gz LIYJXYNDYZHGFX-UHFFFAOYSA-N 0 0 446.613 4.168 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C ZINC000223778083 557512030 /nfs/dbraw/zinc/51/20/30/557512030.db2.gz ARQQZXMTHSVFEX-SANMLTNESA-N 0 0 444.575 4.322 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000223796117 557514594 /nfs/dbraw/zinc/51/45/94/557514594.db2.gz VOTRBNZHGCQEDH-UHFFFAOYSA-N 0 0 442.968 4.279 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000020139999 557515759 /nfs/dbraw/zinc/51/57/59/557515759.db2.gz LTHGOJUGUIKPBG-OAQYLSRUSA-N 0 0 426.515 4.008 40 0 IIABRN COc1ccc2cc(S(=O)(=O)NCc3nc(-c4ccccc4Cl)no3)ccc2c1 ZINC000223828343 557517909 /nfs/dbraw/zinc/51/79/09/557517909.db2.gz QZUDZRRVHYQVRC-UHFFFAOYSA-N 0 0 429.885 4.030 40 0 IIABRN CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000223838238 557519108 /nfs/dbraw/zinc/51/91/08/557519108.db2.gz QXHHHPIHAOUWLS-UHFFFAOYSA-N 0 0 434.583 4.125 40 0 IIABRN COc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000020239070 557519261 /nfs/dbraw/zinc/51/92/61/557519261.db2.gz SAKUNMIJXLXWDL-UHFFFAOYSA-N 0 0 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COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000035152095 569248357 /nfs/dbraw/zinc/24/83/57/569248357.db2.gz GRBKDGWBWAXMBP-ZDLGFXPLSA-N 0 0 446.912 4.341 40 0 IIABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000035253553 569248523 /nfs/dbraw/zinc/24/85/23/569248523.db2.gz HGSLKQDVVZBBBL-IBGZPJMESA-N 0 0 438.549 4.360 40 0 IIABRN CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCc1c(Cl)cccc1Cl ZINC000038190362 569248731 /nfs/dbraw/zinc/24/87/31/569248731.db2.gz FWYLWZKEOFHAMO-INIZCTEOSA-N 0 0 433.295 4.147 40 0 IIABRN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O ZINC000107828481 569251382 /nfs/dbraw/zinc/25/13/82/569251382.db2.gz VELCZGUVQYPJCC-HYTQYMIGSA-N 0 0 448.475 4.490 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)o1 ZINC000108109606 569252396 /nfs/dbraw/zinc/25/23/96/569252396.db2.gz STKYLMMXGZVUGK-YBEGLDIGSA-N 0 0 426.812 4.073 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000108282281 569253049 /nfs/dbraw/zinc/25/30/49/569253049.db2.gz PPKJBWSHCIGJKV-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000108987995 569253307 /nfs/dbraw/zinc/25/33/07/569253307.db2.gz MXPMJARKWMXQGK-UHFFFAOYSA-N 0 0 445.368 4.479 40 0 IIABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2C)CC1=O ZINC000138569334 569253908 /nfs/dbraw/zinc/25/39/08/569253908.db2.gz PNCAELJXDRCPGL-SFHVURJKSA-N 0 0 442.943 4.308 40 0 IIABRN Cc1cc2c(nc3s/c(=C\c4ccccc4OC(=O)c4ccccc4)c(=O)n23)c(C)c1 ZINC000140346815 569254877 /nfs/dbraw/zinc/25/48/77/569254877.db2.gz UQLBKQPHMFQUKK-STZFKDTASA-N 0 0 426.497 4.293 40 0 IIABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O ZINC000205703942 569255479 /nfs/dbraw/zinc/25/54/79/569255479.db2.gz XKOSQWYWJCSAFW-YBFXNURJSA-N 0 0 429.469 4.393 40 0 IIABRN CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O ZINC000205765781 569255597 /nfs/dbraw/zinc/25/55/97/569255597.db2.gz QBQSQWHURALGSS-OQLLNIDSSA-N 0 0 442.331 4.226 40 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LSIMSSUYOSNWIE-BAEXCKCRSA-N 0 0 425.843 4.052 40 0 IIABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000009535956 569297218 /nfs/dbraw/zinc/29/72/18/569297218.db2.gz MFSNFMDOZHNIJM-IBGZPJMESA-N 0 0 426.517 4.302 40 0 IIABRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccnc1 ZINC000261365773 569315926 /nfs/dbraw/zinc/31/59/26/569315926.db2.gz VEHISQPAIRMUNK-JOCHJYFZSA-O 0 0 436.561 4.118 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1 ZINC000019689685 569326391 /nfs/dbraw/zinc/32/63/91/569326391.db2.gz PFVMJWDGELSUDN-QHCPKHFHSA-N 0 0 446.551 4.133 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)c1 ZINC000019694551 569326607 /nfs/dbraw/zinc/32/66/07/569326607.db2.gz NHQMBUCQETVIBB-HXUWFJFHSA-N 0 0 448.542 4.306 40 0 IIABRN O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CC12CCC2 ZINC000019697243 569326874 /nfs/dbraw/zinc/32/68/74/569326874.db2.gz GUDCBCFEPKKXAP-IBGZPJMESA-N 0 0 444.510 4.384 40 0 IIABRN CC(C)NC(=O)c1cc([C@H]2CN(Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759633 569328674 /nfs/dbraw/zinc/32/86/74/569328674.db2.gz RBAKEYYGJGCRFG-AREMUKBSSA-N 0 0 440.547 4.495 40 0 IIABRN CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000019762404 569328873 /nfs/dbraw/zinc/32/88/73/569328873.db2.gz PZFKZSAHXJFTTH-DEOSSOPVSA-N 0 0 449.526 4.045 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764929 569329035 /nfs/dbraw/zinc/32/90/35/569329035.db2.gz PSQOSDGSZPQPAQ-HSZRJFAPSA-N 0 0 446.526 4.150 40 0 IIABRN Cc1sc2nc(SCCN3CCOCC3)n(-c3cccc(Cl)c3)c(=O)c2c1C ZINC000019904321 569331887 /nfs/dbraw/zinc/33/18/87/569331887.db2.gz DHXTZOIKBGECOV-UHFFFAOYSA-N 0 0 436.002 4.142 40 0 IIABRN COC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003055197 569439332 /nfs/dbraw/zinc/43/93/32/569439332.db2.gz PSZWWCGRTPIMOU-QMMMGPOBSA-N 0 0 425.552 4.332 40 0 IIABRN Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccc(Cl)c1 ZINC000003472189 569452108 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447.322 4.104 40 0 IIABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408616061 193982063 /nfs/dbraw/zinc/98/20/63/193982063.db2.gz VJJQPKOQOJFXQK-AWEZNQCLSA-N 0 0 448.350 4.371 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000408617899 193983287 /nfs/dbraw/zinc/98/32/87/193983287.db2.gz DZKCLTWMIKEBPN-UHFFFAOYSA-N 0 0 431.341 4.089 40 0 IIABRN Cc1ccc(C(=O)CN2c3cc(C(=O)N4CCCCCC4)ccc3OC(C)(C)C2=O)cc1 ZINC000001355349 132243343 /nfs/dbraw/zinc/24/33/43/132243343.db2.gz TYDDOWXECQHGGE-UHFFFAOYSA-N 0 0 434.536 4.398 40 0 IIABRN COc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2)CC1 ZINC000013503782 132347267 /nfs/dbraw/zinc/34/72/67/132347267.db2.gz GBDNOJOCRJLSQA-XMMPIXPASA-N 0 0 432.572 4.099 40 0 IIABRN Cc1ccc(Cc2c(C)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]c2=O)cc1 ZINC000013611818 132351978 /nfs/dbraw/zinc/35/19/78/132351978.db2.gz INAMOFXGFDTHQA-UHFFFAOYSA-N 0 0 442.485 4.323 40 0 IIABRN O=C(Nc1ccccc1F)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013679082 132353253 /nfs/dbraw/zinc/35/32/53/132353253.db2.gz UQSHCSFDXNXRFP-HXUWFJFHSA-N 0 0 446.887 4.074 40 0 IIABRN Cc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1C ZINC000013679159 132353255 /nfs/dbraw/zinc/35/32/55/132353255.db2.gz ALQPCMVHFHPKHQ-HSZRJFAPSA-N 0 0 436.533 4.040 40 0 IIABRN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 ZINC000012556071 518373748 /nfs/dbraw/zinc/37/37/48/518373748.db2.gz BTDKPYIEEGIFNX-FAIOCQOHSA-N 0 0 448.357 4.493 40 0 IIABRN CC(=O)c1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000012472075 518423749 /nfs/dbraw/zinc/42/37/49/518423749.db2.gz IWBJBYWNAHALOS-JOCHJYFZSA-N 0 0 448.548 4.188 40 0 IIABRN CC(=O)c1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1 ZINC000012871111 518424266 /nfs/dbraw/zinc/42/42/66/518424266.db2.gz RKUZBADJNWJKQB-FQEVSTJZSA-N 0 0 436.537 4.044 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000012471560 518746552 /nfs/dbraw/zinc/74/65/52/518746552.db2.gz SQXIMDLHEZLBEE-FGZHOGPDSA-N 0 0 434.492 4.109 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871771 518747928 /nfs/dbraw/zinc/74/79/28/518747928.db2.gz GUFPKTGXUZFKOI-IBGZPJMESA-N 0 0 444.507 4.115 40 0 IIABRN CC(C)CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000012637847 519650209 /nfs/dbraw/zinc/65/02/09/519650209.db2.gz SQPLUFNYKVCNOG-LJQANCHMSA-N 0 0 434.993 4.480 40 0 IIABRN CCC1C(=O)N[C@@H](SCC(=O)Nc2cccc(Cl)c2C)N(c2ccccc2)C1=O ZINC000001106947 519849317 /nfs/dbraw/zinc/84/93/17/519849317.db2.gz UMNABUOJKNCWLG-OAQYLSRUSA-N 0 0 431.945 4.420 40 0 IIABRN CCCNC(=O)Cn1c2c(-c3ccc(F)cc3)sc(=S)n2c2ccccc2c1=O ZINC000021353470 519882284 /nfs/dbraw/zinc/88/22/84/519882284.db2.gz KXQGEYALJUYPNA-UHFFFAOYSA-N 0 0 427.526 4.377 40 0 IIABRN CC(C)n1cnc2nc(COc3ccc(Cl)cc3NC(=O)c3cccs3)cc(=O)n21 ZINC000041089772 520051842 /nfs/dbraw/zinc/05/18/42/520051842.db2.gz ABRYBTCMHCHYLB-UHFFFAOYSA-N 0 0 443.916 4.018 40 0 IIABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccc(OC)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675807 520183140 /nfs/dbraw/zinc/18/31/40/520183140.db2.gz SZCJSULZZKBPLP-YADHBBJMSA-N 0 0 435.524 4.350 40 0 IIABRN CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466270 520522365 /nfs/dbraw/zinc/52/23/65/520522365.db2.gz LRILPBQFUXAUAE-PWPMMBIBSA-N 0 0 428.617 4.113 40 0 biogenic,in-vitro IIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1C ZINC000022248644 520783197 /nfs/dbraw/zinc/78/31/97/520783197.db2.gz WKAKCYIQTLVZGV-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1cccc(Cl)c1 ZINC000000883021 520814150 /nfs/dbraw/zinc/81/41/50/520814150.db2.gz UJVYLIVSLZTRAA-UHFFFAOYSA-N 0 0 449.989 4.275 40 0 IIABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 ZINC000032127763 520901857 /nfs/dbraw/zinc/90/18/57/520901857.db2.gz BMQATWUZWIDQPM-UHFFFAOYSA-N 0 0 439.493 4.066 40 0 IIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H](C)c1cccc(Br)c1)cn2C ZINC000022237440 521292408 /nfs/dbraw/zinc/29/24/08/521292408.db2.gz FQUUZDQWFFNWGG-ZDUSSCGKSA-N 0 0 429.314 4.191 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012871024 521336468 /nfs/dbraw/zinc/33/64/68/521336468.db2.gz DIXABPCQGLPIEO-GOSISDBHSA-N 0 0 443.960 4.279 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)c1csnn1 ZINC000012872193 521339802 /nfs/dbraw/zinc/33/98/02/521339802.db2.gz FWLGTZQXNTZLDA-GOSISDBHSA-N 0 0 446.960 4.473 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1csnn1)c1ccccc1C ZINC000012868227 521343895 /nfs/dbraw/zinc/34/38/95/521343895.db2.gz FNWBQPUMTJYPNF-IBGZPJMESA-N 0 0 426.542 4.441 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 ZINC000012872243 521344875 /nfs/dbraw/zinc/34/48/75/521344875.db2.gz SRQCTHVDBSRCIQ-FQEVSTJZSA-N 0 0 440.569 4.436 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)c1csnn1)c1cc(C)cc(C)c1 ZINC000012869494 521345555 /nfs/dbraw/zinc/34/55/55/521345555.db2.gz FBPPJDBMBSVSBT-IBGZPJMESA-N 0 0 426.542 4.441 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869812 521345733 /nfs/dbraw/zinc/34/57/33/521345733.db2.gz XIUCWNGCNLNAQZ-IBGZPJMESA-N 0 0 426.517 4.370 40 0 IIABRN CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000022394920 521382247 /nfs/dbraw/zinc/38/22/47/521382247.db2.gz QWCUCXBYDKAWIV-KRWDZBQOSA-N 0 0 432.586 4.026 40 0 IIABRN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000012186635 521435525 /nfs/dbraw/zinc/43/55/25/521435525.db2.gz NGEUUUJXROERGP-UHFFFAOYSA-N 0 0 425.916 4.342 40 0 IIABRN CCOC(=O)c1cc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)ccc1Cl ZINC000225824367 521444133 /nfs/dbraw/zinc/44/41/33/521444133.db2.gz OTDALLRCQGGCTC-UHFFFAOYSA-N 0 0 446.916 4.062 40 0 IIABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000022251975 521480280 /nfs/dbraw/zinc/48/02/80/521480280.db2.gz YEUKMSMBPCMNSF-UHFFFAOYSA-N 0 0 447.340 4.049 40 0 IIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nn12 ZINC000020609665 521574917 /nfs/dbraw/zinc/57/49/17/521574917.db2.gz YPFXXUJVKXOVBJ-UHFFFAOYSA-N 0 0 432.303 4.413 40 0 IIABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022252719 521659150 /nfs/dbraw/zinc/65/91/50/521659150.db2.gz NEMVNUDKFSMBKD-UHFFFAOYSA-N 0 0 447.340 4.049 40 0 IIABRN CC[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(OC)cc1 ZINC000022533947 522373442 /nfs/dbraw/zinc/37/34/42/522373442.db2.gz MYCVBVQBUMENHY-FQEVSTJZSA-N 0 0 438.549 4.405 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022374623 522382143 /nfs/dbraw/zinc/38/21/43/522382143.db2.gz QBCSQFKVVNJEHW-NRFANRHFSA-N 0 0 432.586 4.026 40 0 IIABRN COC(=O)c1sc(NC(=O)CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)nc1C ZINC000012833697 522425036 /nfs/dbraw/zinc/42/50/36/522425036.db2.gz LSWIGBOLJXVUTL-SECBINFHSA-N 0 0 448.595 4.098 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022428631 522684680 /nfs/dbraw/zinc/68/46/80/522684680.db2.gz QJIMTDQIQBNESG-HSZRJFAPSA-N 0 0 438.549 4.158 40 0 IIABRN COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCCCC1 ZINC000012712262 522729173 /nfs/dbraw/zinc/72/91/73/522729173.db2.gz ZEHOWGPSAOZJOW-UHFFFAOYSA-N 0 0 431.920 4.034 40 0 IIABRN COc1cc(NC(=O)c2sc3nc4cc(OC)c(OC)cc4cc3c2N)cc(OC)c1 ZINC000035313264 522735252 /nfs/dbraw/zinc/73/52/52/522735252.db2.gz PDLCYCCQWZZHGO-UHFFFAOYSA-N 0 0 439.493 4.318 40 0 IIABRN CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC000020581191 522977055 /nfs/dbraw/zinc/97/70/55/522977055.db2.gz ZIDKFZJGCLKAHF-OAQYLSRUSA-N 0 0 427.435 4.272 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3cccc(C)c3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035315612 523048242 /nfs/dbraw/zinc/04/82/42/523048242.db2.gz HZBWEPVWDARRCI-XMMPIXPASA-N 0 0 432.520 4.128 40 0 IIABRN CN(Cc1ccnn1C)C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000017094920 523464737 /nfs/dbraw/zinc/46/47/37/523464737.db2.gz LKMAKSAYEZMYEL-UHFFFAOYSA-N 0 0 426.524 4.181 40 0 IIABRN COCCCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CCC3 ZINC000012498476 523501421 /nfs/dbraw/zinc/50/14/21/523501421.db2.gz IWRJTJVAPVVEIA-UHFFFAOYSA-N 0 0 443.594 4.022 40 0 IIABRN COCCN(Cc1cc2cc(C)ccc2n2nnnc12)C(=S)Nc1ccccc1Cl ZINC000035311755 523739143 /nfs/dbraw/zinc/73/91/43/523739143.db2.gz MRRYEALYPKCUCY-UHFFFAOYSA-N 0 0 440.960 4.085 40 0 IIABRN COCCN(Cc1cc2cc(C)ccc2nc1Cl)S(=O)(=O)c1ccc(OC)cc1 ZINC000012493724 523742886 /nfs/dbraw/zinc/74/28/86/523742886.db2.gz JDMREAFXGGOKOI-UHFFFAOYSA-N 0 0 434.945 4.043 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@H](C)n3nc(C)cc3C)cc2n1 ZINC000012230614 523779271 /nfs/dbraw/zinc/77/92/71/523779271.db2.gz RZKGCUVNRBZJBD-YJBOKZPZSA-N 0 0 448.493 4.439 40 0 IIABRN CC[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000020456583 523790109 /nfs/dbraw/zinc/79/01/09/523790109.db2.gz QUBFRFKTGGTZMW-RPWUZVMVSA-N 0 0 436.577 4.445 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000022229845 523797690 /nfs/dbraw/zinc/79/76/90/523797690.db2.gz OQKPYNMYKOPIEA-INIZCTEOSA-N 0 0 443.352 4.102 40 0 IIABRN COc1ccc(C2(C(=O)N[C@H](Cn3nc(C4CC4)ccc3=O)C(C)C)CCCCC2)cc1 ZINC000012084742 523867356 /nfs/dbraw/zinc/86/73/56/523867356.db2.gz DIJABQAJFOKRSZ-HSZRJFAPSA-N 0 0 437.584 4.172 40 0 IIABRN COCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044886475 523928451 /nfs/dbraw/zinc/92/84/51/523928451.db2.gz SPCPRDZOPCPDBE-UHFFFAOYSA-N 0 0 443.547 4.268 40 0 IIABRN CN1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000020464220 524011861 /nfs/dbraw/zinc/01/18/61/524011861.db2.gz SSVAYPHKFMXDSI-VXKWHMMOSA-N 0 0 427.508 4.134 40 0 biogenic,in-vitro IIABRN CCc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C3CCC3)cc2c1 ZINC000035313539 524058494 /nfs/dbraw/zinc/05/84/94/524058494.db2.gz ZAVIWIWTKWXIOA-VWLOTQADSA-N 0 0 446.547 4.382 40 0 IIABRN Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1 ZINC000012645498 524166349 /nfs/dbraw/zinc/16/63/49/524166349.db2.gz OWEGMSIZBFJHSB-UHFFFAOYSA-N 0 0 426.472 4.408 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000018013774 524208297 /nfs/dbraw/zinc/20/82/97/524208297.db2.gz JBTAXBRHTTYZIC-KRWDZBQOSA-N 0 0 434.989 4.235 40 0 IIABRN COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NC[C@H]2CCCO2)CCOCC1 ZINC000012231521 524296514 /nfs/dbraw/zinc/29/65/14/524296514.db2.gz PHEPBKFZFDNGAF-HXUWFJFHSA-N 0 0 427.516 4.136 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 ZINC000032117153 524320919 /nfs/dbraw/zinc/32/09/19/524320919.db2.gz MJRSGAZKHGTNNT-UHFFFAOYSA-N 0 0 434.867 4.201 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1C ZINC000022537594 524329947 /nfs/dbraw/zinc/32/99/47/524329947.db2.gz YZIWGPRPANXRBH-HXUWFJFHSA-N 0 0 430.614 4.356 40 0 IIABRN Cc1cc(C)cc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2ccccn2)c1 ZINC000035289301 524356746 /nfs/dbraw/zinc/35/67/46/524356746.db2.gz NMPWOGNMSNKXST-UHFFFAOYSA-N 0 0 431.521 4.383 40 0 IIABRN COc1ccccc1CCC(=O)NCc1ccc(-c2ncncc2-c2cc(C)no2)cc1 ZINC000019124303 524395923 /nfs/dbraw/zinc/39/59/23/524395923.db2.gz XMXQMADEJJJSHY-UHFFFAOYSA-N 0 0 428.492 4.365 40 0 IIABRN COc1ccccc1CN(Cc1cc2ccc(C)cc2n2nnnc12)C(=O)c1cccs1 ZINC000035289716 524443876 /nfs/dbraw/zinc/44/38/76/524443876.db2.gz DVGXNBLDIGQBFU-UHFFFAOYSA-N 0 0 443.532 4.499 40 0 IIABRN COc1ccccc1N1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000020488326 524552637 /nfs/dbraw/zinc/55/26/37/524552637.db2.gz XIPWFTXWKVMRQI-UHFFFAOYSA-N 0 0 427.548 4.220 40 0 IIABRN Cc1ccc(CNC(=O)c2ccc3c(=O)[nH]c4c(-c5ccccc5F)nnn4c3c2)cc1 ZINC000021867365 524560172 /nfs/dbraw/zinc/56/01/72/524560172.db2.gz RJCRQHXLZJHTRL-UHFFFAOYSA-N 0 0 427.439 4.028 40 0 IIABRN COc1ccccc1OCCNC(=O)COc1ccc2ccccc2c1Br ZINC000029826253 524674503 /nfs/dbraw/zinc/67/45/03/524674503.db2.gz MTRUGHKMAIFJLG-UHFFFAOYSA-N 0 0 430.298 4.185 40 0 IIABRN COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(-c2ncncc2-c2cc(C)no2)cc1 ZINC000012158971 524687109 /nfs/dbraw/zinc/68/71/09/524687109.db2.gz JKZWMIRAMYUDNG-KRWDZBQOSA-N 0 0 444.491 4.199 40 0 IIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1C ZINC000020453349 524781317 /nfs/dbraw/zinc/78/13/17/524781317.db2.gz CPNUNNUORUZKKT-LJQANCHMSA-N 0 0 430.570 4.274 40 0 IIABRN Cc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 ZINC000012874752 524858816 /nfs/dbraw/zinc/85/88/16/524858816.db2.gz HQGFMNLNEPCVOP-JOCHJYFZSA-N 0 0 449.580 4.074 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccccc2)cc1C ZINC000022377769 525011283 /nfs/dbraw/zinc/01/12/83/525011283.db2.gz YBBXQHCFUZPASA-LJQANCHMSA-N 0 0 438.549 4.076 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccccc2F)cc1 ZINC000022379254 525012334 /nfs/dbraw/zinc/01/23/34/525012334.db2.gz HIVBGILYAKFUJW-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022379633 525049125 /nfs/dbraw/zinc/04/91/25/525049125.db2.gz VWZZGEPAWZDTLN-UHFFFAOYSA-N 0 0 430.476 4.416 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSC(C)(C)C)cc2C)cc1 ZINC000224012882 525080487 /nfs/dbraw/zinc/08/04/87/525080487.db2.gz TUURAORCAFSTEU-UHFFFAOYSA-N 0 0 436.599 4.066 40 0 IIABRN C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000022397704 525099752 /nfs/dbraw/zinc/09/97/52/525099752.db2.gz GICSISHCAJJAPI-CQSZACIVSA-N 0 0 436.505 4.099 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000022233018 525157639 /nfs/dbraw/zinc/15/76/39/525157639.db2.gz WWKGHXVKLFLUAU-UHFFFAOYSA-N 0 0 444.940 4.324 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022528998 525174832 /nfs/dbraw/zinc/17/48/32/525174832.db2.gz VNRRUDFKAVXLGW-LJQANCHMSA-N 0 0 438.977 4.018 40 0 IIABRN Cc1ccc(NCc2nnc(SCc3nnnn3-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000012474175 525289600 /nfs/dbraw/zinc/28/96/00/525289600.db2.gz GGUFPKVQQFYIIP-UHFFFAOYSA-N 0 0 427.921 4.220 40 0 IIABRN COc1ccc([C@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000020451809 525314162 /nfs/dbraw/zinc/31/41/62/525314162.db2.gz DSBKSGPPANSIFO-SFHVURJKSA-N 0 0 438.549 4.152 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022529004 525348349 /nfs/dbraw/zinc/34/83/49/525348349.db2.gz VNRRUDFKAVXLGW-IBGZPJMESA-N 0 0 438.977 4.018 40 0 IIABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCC(=O)c5ccccc5)nc4nc3C2)cc1 ZINC000020671592 525405331 /nfs/dbraw/zinc/40/53/31/525405331.db2.gz ZWQVISJKXYUIPA-QGZVFWFLSA-N 0 0 444.516 4.021 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 ZINC000012882343 525531258 /nfs/dbraw/zinc/53/12/58/525531258.db2.gz UJHYTVBRAPWXEL-GOSISDBHSA-N 0 0 448.592 4.119 40 0 IIABRN Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000012469923 525647722 /nfs/dbraw/zinc/64/77/22/525647722.db2.gz QBBKZZNRMBJEPX-OSPHWJPCSA-N 0 0 442.567 4.001 40 0 IIABRN C[C@@H]1c2ccsc2CCN1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182864 525735905 /nfs/dbraw/zinc/73/59/05/525735905.db2.gz NBPXEOAFCMQSTP-MDASCCDHSA-N 0 0 442.585 4.068 40 0 IIABRN COc1cccc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)c1 ZINC000000865415 525764956 /nfs/dbraw/zinc/76/49/56/525764956.db2.gz YSQBJQZGWWBUFD-OVCLIPMQSA-N 0 0 439.636 4.298 40 0 IIABRN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000020482591 526097744 /nfs/dbraw/zinc/09/77/44/526097744.db2.gz CAUHCFVVQCFIGB-NWDGAFQWSA-N 0 0 433.332 4.164 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)c(=O)[nH]1 ZINC000019131433 526104453 /nfs/dbraw/zinc/10/44/53/526104453.db2.gz NRSXYDWYUYXDHO-ZDUSSCGKSA-N 0 0 448.470 4.240 40 0 IIABRN Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)CC(C)(C)O2 ZINC000022330347 526201016 /nfs/dbraw/zinc/20/10/16/526201016.db2.gz FQDLYBWGIIUMFW-OAQYLSRUSA-N 0 0 444.597 4.303 40 0 IIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2C)c1 ZINC000022528589 526215907 /nfs/dbraw/zinc/21/59/07/526215907.db2.gz PLSSZVKSNRGRTL-UHFFFAOYSA-N 0 0 449.532 4.391 40 0 IIABRN 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CCOc1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000010337192 556333214 /nfs/dbraw/zinc/33/32/14/556333214.db2.gz IPTHMDXSNPNGBA-UHFFFAOYSA-N 0 0 442.512 4.443 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(Cl)cc2C)cc1 ZINC000010541292 556336606 /nfs/dbraw/zinc/33/66/06/556336606.db2.gz RMLXLLMDTKFQKX-QGZVFWFLSA-N 0 0 434.989 4.411 40 0 IIABRN Cc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000010541511 556336638 /nfs/dbraw/zinc/33/66/38/556336638.db2.gz GKSMBWAYCCBEHS-MRXNPFEDSA-N 0 0 434.989 4.411 40 0 IIABRN Cc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1N1CCCC1=O ZINC000011486697 556341529 /nfs/dbraw/zinc/34/15/29/556341529.db2.gz DSQQFHDBYAYHQQ-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)on1 ZINC000012087423 556400556 /nfs/dbraw/zinc/40/05/56/556400556.db2.gz QFSMLBZPOLLKHI-UHFFFAOYSA-N 0 0 437.548 4.127 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000014291813 556411755 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CC(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 ZINC000032125311 556534867 /nfs/dbraw/zinc/53/48/67/556534867.db2.gz HLJCKECXAXQNLT-UHFFFAOYSA-N 0 0 431.536 4.162 40 0 IIABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000032126888 556535817 /nfs/dbraw/zinc/53/58/17/556535817.db2.gz BQIKVUKFLFXFLT-UHFFFAOYSA-N 0 0 429.885 4.321 40 0 IIABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 ZINC000032127017 556536074 /nfs/dbraw/zinc/53/60/74/556536074.db2.gz XILPWEAZJKWTDQ-UHFFFAOYSA-N 0 0 436.566 4.159 40 0 IIABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000015653868 556540802 /nfs/dbraw/zinc/54/08/02/556540802.db2.gz BUICAPKIRMBXCX-UHFFFAOYSA-N 0 0 432.851 4.396 40 0 IIABRN Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)s2)cs1 ZINC000032603687 556542539 /nfs/dbraw/zinc/54/25/39/556542539.db2.gz MGDGYONUSKLCEC-UHFFFAOYSA-N 0 0 433.624 4.308 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)cc1 ZINC000013647001 556544212 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IIABRN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101075925 556653744 /nfs/dbraw/zinc/65/37/44/556653744.db2.gz OJTVJQQTIRDHQH-FHWLQOOXSA-N 0 0 429.314 4.174 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1C ZINC000017096516 556660157 /nfs/dbraw/zinc/66/01/57/556660157.db2.gz KLVILIAAUTURJB-UHFFFAOYSA-N 0 0 429.501 4.231 40 0 IIABRN Cn1c2ccc(NC(=O)c3ccc(OCCSc4ccccc4)cc3)cc2n(C)c1=O ZINC000044842896 556668842 /nfs/dbraw/zinc/66/88/42/556668842.db2.gz ZFNHEJMXALXRSZ-UHFFFAOYSA-N 0 0 433.533 4.300 40 0 IIABRN CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000044900547 556677383 /nfs/dbraw/zinc/67/73/83/556677383.db2.gz KEFQYKRGENMJBL-QFIPXVFZSA-N 0 0 438.549 4.401 40 0 IIABRN COC(=O)c1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000044901276 556677641 /nfs/dbraw/zinc/67/76/41/556677641.db2.gz OVAKCCFZSHCILS-UHFFFAOYSA-N 0 0 444.896 4.180 40 0 IIABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000017959085 556680434 /nfs/dbraw/zinc/68/04/34/556680434.db2.gz WPBFODZRJDZOKT-CQSZACIVSA-N 0 0 441.380 4.272 40 0 IIABRN CCOc1ccc(CNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000044912640 556681377 /nfs/dbraw/zinc/68/13/77/556681377.db2.gz DEHADGHJBGPOBV-UHFFFAOYSA-N 0 0 431.374 4.376 40 0 IIABRN CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000018074200 556683059 /nfs/dbraw/zinc/68/30/59/556683059.db2.gz LLSMKUSNADKSGC-UHFFFAOYSA-N 0 0 438.549 4.467 40 0 IIABRN CCOc1ccc(N([C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000260408824 556694090 /nfs/dbraw/zinc/69/40/90/556694090.db2.gz NZJCXKKFTUYSBI-PGRDOPGGSA-N 0 0 432.586 4.143 40 0 IIABRN O=C(c1cc(Cl)ccc1Cl)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000000819574 556699020 /nfs/dbraw/zinc/69/90/20/556699020.db2.gz MPKZMYCAFNCFOB-UHFFFAOYSA-N 0 0 446.378 4.194 40 0 IIABRN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000000832243 556700297 /nfs/dbraw/zinc/70/02/97/556700297.db2.gz QZOXUOWNQIZVES-UHFFFAOYSA-N 0 0 437.293 4.240 40 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Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C2CCCC2)CC4)cc1 ZINC000019135267 556705741 /nfs/dbraw/zinc/70/57/41/556705741.db2.gz DHAUSNKUQQKKLB-QHCPKHFHSA-N 0 0 445.567 4.021 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C2CCCC2)CC4)cc1 ZINC000019135264 556705807 /nfs/dbraw/zinc/70/58/07/556705807.db2.gz DHAUSNKUQQKKLB-HSZRJFAPSA-N 0 0 445.567 4.021 40 0 IIABRN COc1ccc(C2(C(=O)N3CC[C@@]4(CN(Cc5ccccc5)C(=O)O4)C3)CCCC2)cc1 ZINC000257331506 556705954 /nfs/dbraw/zinc/70/59/54/556705954.db2.gz XTDBICYYJKDNMN-VWLOTQADSA-N 0 0 434.536 4.131 40 0 IIABRN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H](Cc2cccc3cccnc32)C1 ZINC000257336894 556706740 /nfs/dbraw/zinc/70/67/40/556706740.db2.gz YQMJBSCEBZQQNR-OAQYLSRUSA-N 0 0 427.548 4.452 40 0 IIABRN O=C(c1ccccc1-c1ccccc1)N1CCOC[C@]2(CN(c3ccccc3)C(=O)O2)C1 ZINC000257342360 556707070 /nfs/dbraw/zinc/70/70/70/556707070.db2.gz ZOGZIGZNSGDTAM-AREMUKBSSA-N 0 0 428.488 4.222 40 0 IIABRN O=C(c1ccc2ccccc2n1)N1[C@@H](Cc2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257219608 556707462 /nfs/dbraw/zinc/70/74/62/556707462.db2.gz DHKBTHRSRCSLAO-IEXUWNMDSA-N 0 0 431.511 4.259 40 0 IIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCC3CCOCC3)CCOCC2)cc1 ZINC000257266783 556713472 /nfs/dbraw/zinc/71/34/72/556713472.db2.gz MENFBNJWLVMKEB-UHFFFAOYSA-N 0 0 441.543 4.383 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC2(C[C@@H](Oc3ccccc3F)CO2)CC1 ZINC000257268973 556713526 /nfs/dbraw/zinc/71/35/26/556713526.db2.gz MOAKCPUBEQBEQN-OAQYLSRUSA-N 0 0 449.526 4.222 40 0 IIABRN COc1ccc(C[C@H]2CCC[C@@H]3CN(C(=O)c4ccccc4CN4CCOCC4)C[C@@H]32)cc1 ZINC000257285719 556715544 /nfs/dbraw/zinc/71/55/44/556715544.db2.gz PILMXHCYHWCBFX-LSCGWGKXSA-N 0 0 448.607 4.258 40 0 IIABRN COc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(SC)cc3)C2=O)c1 ZINC000036091223 556715910 /nfs/dbraw/zinc/71/59/10/556715910.db2.gz GWDKFFDTNYDZTC-ZLNRFVROSA-N 0 0 446.528 4.468 40 0 IIABRN CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)Cc2cccnc2)CC1 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CC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)c1 ZINC000006074239 556827873 /nfs/dbraw/zinc/82/78/73/556827873.db2.gz RIFJCZNAFLHGCT-UHFFFAOYSA-N 0 0 446.532 4.481 40 0 IIABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnc3c(C)cc4cc(OC)ccc4n23)cc1 ZINC000006077405 556828446 /nfs/dbraw/zinc/82/84/46/556828446.db2.gz FBOFYONQNULXSF-UHFFFAOYSA-N 0 0 449.536 4.279 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)cc2c1 ZINC000006300863 556832142 /nfs/dbraw/zinc/83/21/42/556832142.db2.gz LKRFFZGSTRLVRU-DEOSSOPVSA-N 0 0 442.567 4.001 40 0 IIABRN Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321174 556832902 /nfs/dbraw/zinc/83/29/02/556832902.db2.gz QBBKZZNRMBJEPX-XDHUDOTRSA-N 0 0 442.567 4.001 40 0 IIABRN Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCC(C)CC3)c(=O)[nH]c2c1C ZINC000006442456 556835877 /nfs/dbraw/zinc/83/58/77/556835877.db2.gz LLONASDDSJXJPK-HSZRJFAPSA-N 0 0 434.588 4.458 40 0 IIABRN Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c12 ZINC000006443749 556836521 /nfs/dbraw/zinc/83/65/21/556836521.db2.gz DOJWNXUMHGZUNZ-JOCHJYFZSA-N 0 0 428.540 4.120 40 0 IIABRN O[C@@](Cc1nc(CC2(C(F)(F)F)CC2)c[nH]1)(c1ccc(-n2cccn2)cc1)C(F)(F)F ZINC000066097879 556840050 /nfs/dbraw/zinc/84/00/50/556840050.db2.gz UJINBEQCDMOAHM-SFHVURJKSA-N 0 0 444.379 4.473 40 0 in-vitro IIABRN CCOC(=O)Cc1csc(NC(=O)c2sc3nc4ccc(CC)cc4cc3c2N)n1 ZINC000008667173 556842028 /nfs/dbraw/zinc/84/20/28/556842028.db2.gz SSHBTZCBVINOGE-UHFFFAOYSA-N 0 0 440.550 4.409 40 0 IIABRN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3ccc(-c4ccc(C(N)=O)cc4)cn3)CC2)cc1 ZINC000019687987 556842440 /nfs/dbraw/zinc/84/24/40/556842440.db2.gz GTPOFFQAUAXYHA-LJQANCHMSA-N 0 0 443.547 4.329 40 0 IIABRN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)c1 ZINC000019689539 556844460 /nfs/dbraw/zinc/84/44/60/556844460.db2.gz PMFBKXKFWJVKCO-NRFANRHFSA-N 0 0 434.544 4.042 40 0 IIABRN CCc1nnsc1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689832 556844724 /nfs/dbraw/zinc/84/47/24/556844724.db2.gz IRLLYMOWVSNNOX-QGZVFWFLSA-N 0 0 442.976 4.254 40 0 IIABRN CCc1nnsc1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689834 556844840 /nfs/dbraw/zinc/84/48/40/556844840.db2.gz IRLLYMOWVSNNOX-KRWDZBQOSA-N 0 0 442.976 4.254 40 0 IIABRN CCc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)o1 ZINC000019689874 556844945 /nfs/dbraw/zinc/84/49/45/556844945.db2.gz PWPWGCYMURFING-IBGZPJMESA-N 0 0 435.528 4.054 40 0 IIABRN COCCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccoc1C ZINC000008772926 556846161 /nfs/dbraw/zinc/84/61/61/556846161.db2.gz GPFGQQDNVHKEIU-UHFFFAOYSA-N 0 0 443.554 4.224 40 0 IIABRN Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(CC(=O)NCc3ccccn3)CC2)n1 ZINC000019691665 556847146 /nfs/dbraw/zinc/84/71/46/556847146.db2.gz GEOBWZBZAQTWAQ-UHFFFAOYSA-N 0 0 432.543 4.011 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019691935 556848006 /nfs/dbraw/zinc/84/80/06/556848006.db2.gz OXIRVTXZOYCXND-QFIPXVFZSA-N 0 0 425.554 4.420 40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCOc3cccc(F)c3)CC2)n1 ZINC000019692091 556848129 /nfs/dbraw/zinc/84/81/29/556848129.db2.gz YEJORCASZGQWCH-UHFFFAOYSA-N 0 0 434.515 4.348 40 0 IIABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019694332 556850122 /nfs/dbraw/zinc/85/01/22/556850122.db2.gz RUFQVWJJCZBNMV-HXUWFJFHSA-N 0 0 436.947 4.329 40 0 IIABRN Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694615 556850797 /nfs/dbraw/zinc/85/07/97/556850797.db2.gz VHRCZVOHBHBAKK-NRFANRHFSA-N 0 0 437.519 4.250 40 0 IIABRN COc1cccc(CC(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(F)c3)CC2)c1 ZINC000019695203 556851407 /nfs/dbraw/zinc/85/14/07/556851407.db2.gz OYTLSPAZCUSTHQ-UHFFFAOYSA-N 0 0 448.542 4.306 40 0 IIABRN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000008927089 556852416 /nfs/dbraw/zinc/85/24/16/556852416.db2.gz XLOOAJMDEJQDIH-UHFFFAOYSA-N 0 0 445.338 4.180 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019696122 556853227 /nfs/dbraw/zinc/85/32/27/556853227.db2.gz AGJVCEBNLGIIQY-QFIPXVFZSA-N 0 0 432.568 4.161 40 0 IIABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccccc2)N2c4ccccc4C=C[C@@H]32)cc1 ZINC000008997224 556853512 /nfs/dbraw/zinc/85/35/12/556853512.db2.gz BMQAUPASMPCXPU-JBXUNAHCSA-N 0 0 449.510 4.024 40 0 IIABRN Cc1nc(CN(C)CCOc2cccc(C(F)(F)F)c2)nc2c1CCC(=O)N2CC1CC1 ZINC000019698110 556856212 /nfs/dbraw/zinc/85/62/12/556856212.db2.gz YTSLSLXRWOBEJK-UHFFFAOYSA-N 0 0 448.489 4.004 40 0 IIABRN Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)Cc3cccc(F)c3)nc21 ZINC000019698580 556857077 /nfs/dbraw/zinc/85/70/77/556857077.db2.gz DCGAHOSEKBUPPA-UHFFFAOYSA-N 0 0 448.542 4.223 40 0 IIABRN COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)CC4CCCCC4)nc32)c1 ZINC000019698631 556857482 /nfs/dbraw/zinc/85/74/82/556857482.db2.gz RTBYJKCHADAWRV-UHFFFAOYSA-N 0 0 436.600 4.328 40 0 IIABRN CCOC(=O)Cn1c(C)c(/C=C2\SC(Nc3ccccc3F)NC2=O)c2ccccc21 ZINC000408806031 556861091 /nfs/dbraw/zinc/86/10/91/556861091.db2.gz ADVKOHOFGVFCCU-UHFFFAOYSA-N 0 0 438.504 4.415 40 0 IIABRN O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703756 556862149 /nfs/dbraw/zinc/86/21/49/556862149.db2.gz KOMDRXRDVOZCPG-NRFANRHFSA-N 0 0 427.451 4.052 40 0 IIABRN Cc1nccn1[C@H](C)CC(=O)N1CCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1 ZINC000019705868 556863365 /nfs/dbraw/zinc/86/33/65/556863365.db2.gz ZYZSFMRFXICEDK-QGZVFWFLSA-N 0 0 449.530 4.335 40 0 IIABRN Cc1c(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)cnn1C ZINC000019706127 556864186 /nfs/dbraw/zinc/86/41/86/556864186.db2.gz FYZKQYYMRYPURT-HSZRJFAPSA-N 0 0 444.583 4.147 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706675 556864893 /nfs/dbraw/zinc/86/48/93/556864893.db2.gz QULXPRZVKKKZGD-OAQYLSRUSA-N 0 0 433.600 4.072 40 0 IIABRN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(OCC)c1 ZINC000408882006 556878312 /nfs/dbraw/zinc/87/83/12/556878312.db2.gz OPMJHCJHWNNEDE-ODLFYWEKSA-N 0 0 444.484 4.298 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2nccc3ccccc32)nc2c1CCC(=O)N2CC(C)C ZINC000019740770 556881681 /nfs/dbraw/zinc/88/16/81/556881681.db2.gz OLGKYHYLGHZSLZ-NRFANRHFSA-N 0 0 443.551 4.246 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)CCc2ccccc2)nc2c1CCC(=O)N2CCC(C)C ZINC000019741400 556883651 /nfs/dbraw/zinc/88/36/51/556883651.db2.gz NOPRQXAMNPGBOP-JOCHJYFZSA-N 0 0 434.584 4.407 40 0 IIABRN Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cc1C ZINC000019741508 556883967 /nfs/dbraw/zinc/88/39/67/556883967.db2.gz JUAPFWICZJQEKU-JOCHJYFZSA-N 0 0 446.595 4.040 40 0 IIABRN CCCn1ncc2ccc([C@H]3CCCN(C(=O)CCN(C)c4cccc(OC)c4)C3)nc21 ZINC000019742571 556886815 /nfs/dbraw/zinc/88/68/15/556886815.db2.gz VPLOEIZGVXKLLZ-FQEVSTJZSA-N 0 0 435.572 4.082 40 0 IIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000408917894 556889148 /nfs/dbraw/zinc/88/91/48/556889148.db2.gz CJLCBNACTOYCSR-ZKKFKWFVSA-N 0 0 429.859 4.162 40 0 IIABRN CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)C[C@@H]4CCCO4)CC3)cc(C(F)(F)F)c12 ZINC000019744668 556891303 /nfs/dbraw/zinc/89/13/03/556891303.db2.gz IXHZQDNSQFYKCR-AWEZNQCLSA-N 0 0 439.482 4.072 40 0 IIABRN O=C(c1ccccn1)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 ZINC000019744922 556891484 /nfs/dbraw/zinc/89/14/84/556891484.db2.gz ZJNFBCOYJHLPMS-UHFFFAOYSA-N 0 0 430.487 4.124 40 0 IIABRN COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408919229 556891722 /nfs/dbraw/zinc/89/17/22/556891722.db2.gz VAUWQEGCUFFSCE-LMGFAJPXSA-N 0 0 443.886 4.220 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754183 556897558 /nfs/dbraw/zinc/89/75/58/556897558.db2.gz MJVOKFURGRCWDE-OAQYLSRUSA-N 0 0 449.942 4.382 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)CCc2ccccc2F)ncc1C(=O)NCc1ccccc1 ZINC000019755025 556898153 /nfs/dbraw/zinc/89/81/53/556898153.db2.gz PFKMFQQJNBQEOC-QHCPKHFHSA-N 0 0 446.526 4.150 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)c1 ZINC000019755493 556898800 /nfs/dbraw/zinc/89/88/00/556898800.db2.gz LDGVMZYTVULBKI-JOCHJYFZSA-N 0 0 448.498 4.091 40 0 IIABRN COc1ccc(CN2CCC[C@@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1OC(C)C ZINC000019756231 556899750 /nfs/dbraw/zinc/89/97/50/556899750.db2.gz ZDYGIDIVDKFMBS-OAQYLSRUSA-N 0 0 438.572 4.154 40 0 IIABRN Cc1nc(CC2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)cc(NC2CCCC2)n1 ZINC000019758601 556902340 /nfs/dbraw/zinc/90/23/40/556902340.db2.gz YGDREOSQCCQJDB-QFIPXVFZSA-N 0 0 447.583 4.047 40 0 IIABRN O=C(NCCC1=CCCCC1)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 ZINC000408975865 556905984 /nfs/dbraw/zinc/90/59/84/556905984.db2.gz OMZUVHXGLZCMSF-UHFFFAOYSA-N 0 0 426.476 4.051 40 0 IIABRN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000072334614 556907260 /nfs/dbraw/zinc/90/72/60/556907260.db2.gz INZAHODLQOEWDL-OXUKXLDXSA-N 0 0 446.576 4.064 40 0 IIABRN O=C(c1ccc(Cl)cc1Cl)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000408972589 556907453 /nfs/dbraw/zinc/90/74/53/556907453.db2.gz PIOZSQOHGLUCSI-UHFFFAOYSA-N 0 0 446.378 4.194 40 0 IIABRN C[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[C@H]1n1nc(-c2cccs2)ccc1=O ZINC000072335396 556908152 /nfs/dbraw/zinc/90/81/52/556908152.db2.gz USZBYRKIUXDQLS-HRAATJIYSA-N 0 0 432.549 4.105 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765238 556909661 /nfs/dbraw/zinc/90/96/61/556909661.db2.gz MHQODYAXQLQMBA-OAQYLSRUSA-N 0 0 428.536 4.376 40 0 IIABRN O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000072337790 556910776 /nfs/dbraw/zinc/91/07/76/556910776.db2.gz DJXUQURBNQRDRV-UZLBHIALSA-N 0 0 428.508 4.200 40 0 IIABRN Cc1nccc(-c2ccc(-c3noc(CN4CCC(O)(c5ccc(F)cc5)CC4)n3)cc2)n1 ZINC000072340140 556911985 /nfs/dbraw/zinc/91/19/85/556911985.db2.gz RMZFMUPNSKOBNL-UHFFFAOYSA-N 0 0 445.498 4.125 40 0 IIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)c4cc(-c5ccco5)on4)C3)cc(C(F)(F)F)n2n1 ZINC000072340940 556913115 /nfs/dbraw/zinc/91/31/15/556913115.db2.gz GJKIHSODBNETPK-CYBMUJFWSA-N 0 0 445.401 4.324 40 0 IIABRN Cc1ccc(CN(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409002941 556913525 /nfs/dbraw/zinc/91/35/25/556913525.db2.gz CTABMPDXDSRCLB-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000409002781 556915143 /nfs/dbraw/zinc/91/51/43/556915143.db2.gz ALYTZUGUTYQEBZ-UHFFFAOYSA-N 0 0 432.904 4.309 40 0 IIABRN CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCCC2)CC1 ZINC000072345335 556916791 /nfs/dbraw/zinc/91/67/91/556916791.db2.gz FSDTUEJHJASBEY-UHFFFAOYSA-N 0 0 434.584 4.010 40 0 IIABRN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(Oc4ccccc4)c2)C3)C[C@H](C)O1 ZINC000072347276 556918334 /nfs/dbraw/zinc/91/83/34/556918334.db2.gz JMTHLIRYLROPIE-OALUTQOASA-N 0 0 446.551 4.146 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000072347916 556919234 /nfs/dbraw/zinc/91/92/34/556919234.db2.gz RFYSNFJXOUVPHZ-QGZVFWFLSA-N 0 0 441.959 4.022 40 0 IIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O ZINC000409017266 556919381 /nfs/dbraw/zinc/91/93/81/556919381.db2.gz FNTDFAXYWTWPCL-BXUJETTOSA-N 0 0 429.469 4.393 40 0 IIABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)c(OC)c1 ZINC000019816903 556919728 /nfs/dbraw/zinc/91/97/28/556919728.db2.gz NFXISGSOLGSYEX-MRXNPFEDSA-N 0 0 446.532 4.347 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 ZINC000072350036 556919969 /nfs/dbraw/zinc/91/99/69/556919969.db2.gz AMGGMFCLNCUAOA-OAQYLSRUSA-N 0 0 439.987 4.290 40 0 IIABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)c(OC)c1 ZINC000019816981 556919972 /nfs/dbraw/zinc/91/99/72/556919972.db2.gz ZIDWUWXYAPKWDG-AWEZNQCLSA-N 0 0 426.542 4.192 40 0 IIABRN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350148 556920155 /nfs/dbraw/zinc/92/01/55/556920155.db2.gz UAPCRCTUGJCTSX-QGZVFWFLSA-N 0 0 430.961 4.012 40 0 IIABRN CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc12 ZINC000409014788 556920591 /nfs/dbraw/zinc/92/05/91/556920591.db2.gz JUKCJFLYLYCUBK-KGENOOAVSA-N 0 0 429.476 4.078 40 0 IIABRN Cc1nn2c(nnc3c2ccn(-c2cccc(OC(F)(F)F)c2)c3=O)c1-c1ccccc1 ZINC000019818898 556921726 /nfs/dbraw/zinc/92/17/26/556921726.db2.gz GUOKGTLDHHVCAS-UHFFFAOYSA-N 0 0 437.381 4.302 40 0 IIABRN Cc1c2cc(C)ccc2oc1C(=O)N1CCNC(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351659 556922085 /nfs/dbraw/zinc/92/20/85/556922085.db2.gz XNDJQEWIAVJZEC-QHCPKHFHSA-N 0 0 439.515 4.295 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(F)c1 ZINC000019820184 556923718 /nfs/dbraw/zinc/92/37/18/556923718.db2.gz BTPQQSJPNDTYJD-XZOQPEGZSA-N 0 0 443.478 4.491 40 0 IIABRN COc1ccc(OC)c(-n2ccc3c(nnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)c1 ZINC000019821552 556924662 /nfs/dbraw/zinc/92/46/62/556924662.db2.gz NHHIZNTXQFHKLJ-UHFFFAOYSA-N 0 0 447.882 4.074 40 0 IIABRN Cc1ccc(COc2ccc(/C=C3/C(=O)N(C)C(=S)N3C)cc2Br)cc1 ZINC000409030239 556926971 /nfs/dbraw/zinc/92/69/71/556926971.db2.gz CQTNDCFNLXFKRE-BOPFTXTBSA-N 0 0 431.355 4.366 40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)n1 ZINC000072353792 556928340 /nfs/dbraw/zinc/92/83/40/556928340.db2.gz JNLRCNVQLYMJIM-JOCHJYFZSA-N 0 0 441.579 4.436 40 0 IIABRN COc1ccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)CN4CCCCCC4=O)C3)c2)cc1 ZINC000072354211 556929659 /nfs/dbraw/zinc/92/96/59/556929659.db2.gz SKZYIVGPIHXOAP-QHCPKHFHSA-N 0 0 449.595 4.098 40 0 IIABRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Cl)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409051241 556932764 /nfs/dbraw/zinc/93/27/64/556932764.db2.gz CDCMXCCYCKNGKW-PDGQHHTCSA-N 0 0 444.940 4.059 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860839 556933204 /nfs/dbraw/zinc/93/32/04/556933204.db2.gz RLPBMPOOMDLCLA-INIZCTEOSA-N 0 0 441.380 4.482 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861114 556933685 /nfs/dbraw/zinc/93/36/85/556933685.db2.gz RFMMRBHPTCNBAB-GHTZIAJQSA-N 0 0 449.016 4.019 40 0 IIABRN COc1ccc2c(CN3CCO[C@H](c4c5ccccc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072370211 556933943 /nfs/dbraw/zinc/93/39/43/556933943.db2.gz XXWPRWUHKZAFIB-FQEVSTJZSA-N 0 0 435.549 4.074 40 0 IIABRN CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000072370414 556934864 /nfs/dbraw/zinc/93/48/64/556934864.db2.gz ZDZAEJGUIUVKBU-QGZVFWFLSA-N 0 0 442.606 4.389 40 0 IIABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000019868575 556935202 /nfs/dbraw/zinc/93/52/02/556935202.db2.gz TVYMXCYMNLDMAO-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN O=C(CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000072371244 556937905 /nfs/dbraw/zinc/93/79/05/556937905.db2.gz VXAXVTSIHSLIGC-INIZCTEOSA-N 0 0 442.922 4.252 40 0 IIABRN COc1ccc(CC(=O)N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cc1 ZINC000072371363 556938198 /nfs/dbraw/zinc/93/81/98/556938198.db2.gz VBPIUTHEQFBGLY-SFHVURJKSA-N 0 0 439.943 4.252 40 0 IIABRN CC(C)c1cc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)[nH]n1 ZINC000072371501 556939064 /nfs/dbraw/zinc/93/90/64/556939064.db2.gz MSAOHFFGNDHVNL-HNNXBMFYSA-N 0 0 427.936 4.161 40 0 IIABRN CC(C)c1cc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)[nH]n1 ZINC000072371502 556939212 /nfs/dbraw/zinc/93/92/12/556939212.db2.gz MSAOHFFGNDHVNL-OAHLLOKOSA-N 0 0 427.936 4.161 40 0 IIABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000019894087 556939964 /nfs/dbraw/zinc/93/99/64/556939964.db2.gz NXPRKADZFPVTJT-UHFFFAOYSA-N 0 0 433.961 4.092 40 0 IIABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1Br ZINC000409076122 556944051 /nfs/dbraw/zinc/94/40/51/556944051.db2.gz XZVYWJSQRBNNPK-SCVIVROUSA-N 0 0 442.331 4.224 40 0 IIABRN COc1ccc(OC)c(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)c1 ZINC000019928315 556946103 /nfs/dbraw/zinc/94/61/03/556946103.db2.gz NTOGGHZYMHOLIO-UHFFFAOYSA-N 0 0 429.498 4.013 40 0 IIABRN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000019928444 556946272 /nfs/dbraw/zinc/94/62/72/556946272.db2.gz ZLIOKJQCXNXVFL-UHFFFAOYSA-N 0 0 439.415 4.407 40 0 IIABRN Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)n1 ZINC000072374086 556947113 /nfs/dbraw/zinc/94/71/13/556947113.db2.gz ZVCZIGYLTJWUOH-QFIPXVFZSA-N 0 0 439.987 4.399 40 0 IIABRN CCOc1cccc2[nH]c(C(=O)N3CC[C@@H](c4cc(-c5cncnc5)cc(C)n4)C3)cc21 ZINC000072374686 556948452 /nfs/dbraw/zinc/94/84/52/556948452.db2.gz PIPLJDWBIFGKES-QGZVFWFLSA-N 0 0 427.508 4.357 40 0 IIABRN CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(Br)cc1O ZINC000409085390 556948473 /nfs/dbraw/zinc/94/84/73/556948473.db2.gz ZKIKYGCXEUWVSI-DHDCSXOGSA-N 0 0 439.375 4.286 40 0 IIABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCN(CC(=O)NCc3ccccn3)C2)n1 ZINC000072374770 556948902 /nfs/dbraw/zinc/94/89/02/556948902.db2.gz ZEHHEAZNMCSFKJ-NRFANRHFSA-N 0 0 434.971 4.135 40 0 IIABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)c1 ZINC000409094880 556950033 /nfs/dbraw/zinc/95/00/33/556950033.db2.gz AHHOKHGRLRTLOE-CPNJWEJPSA-N 0 0 433.489 4.271 40 0 IIABRN CC[C@@H](NC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000019934161 556950072 /nfs/dbraw/zinc/95/00/72/556950072.db2.gz HQAFMZLBFHNYNG-UXHICEINSA-N 0 0 438.977 4.161 40 0 IIABRN O=C(CCn1ncc2c1CCCC2)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375624 556952067 /nfs/dbraw/zinc/95/20/67/556952067.db2.gz NNHCUCNFQVPPQB-OAQYLSRUSA-N 0 0 434.519 4.188 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3nccs3)n2)cc1C ZINC000072375673 556952535 /nfs/dbraw/zinc/95/25/35/556952535.db2.gz WPOLRYCGQUTRLA-QGZVFWFLSA-N 0 0 430.555 4.125 40 0 IIABRN COc1cccc(CN(C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3ccc(F)cn3)n2)c1 ZINC000072375859 556953178 /nfs/dbraw/zinc/95/31/78/556953178.db2.gz VUJRLPGSIFFAQO-JOCHJYFZSA-N 0 0 449.530 4.163 40 0 IIABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000409098419 556954086 /nfs/dbraw/zinc/95/40/86/556954086.db2.gz PVXXUHPVNUUIBZ-MDBUFAAASA-N 0 0 445.468 4.011 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc12 ZINC000019973173 556956549 /nfs/dbraw/zinc/95/65/49/556956549.db2.gz KQGAKBTVZAJBNJ-QHCPKHFHSA-N 0 0 442.567 4.034 40 0 IIABRN Cc1nc([C@@H]2CCCCN2Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000072380086 556957548 /nfs/dbraw/zinc/95/75/48/556957548.db2.gz PHYVFSDHCMSNQP-QHCPKHFHSA-N 0 0 427.552 4.387 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2cccnc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000072380069 556957646 /nfs/dbraw/zinc/95/76/46/556957646.db2.gz HHNSZBOLXINKJP-HSZRJFAPSA-N 0 0 427.552 4.387 40 0 IIABRN O=C(c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1cccnc1)N1CCOCC1 ZINC000072380143 556957673 /nfs/dbraw/zinc/95/76/73/556957673.db2.gz VLGNMVHKEFLJBU-LJQANCHMSA-N 0 0 449.576 4.006 40 0 IIABRN CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020007782 556958948 /nfs/dbraw/zinc/95/89/48/556958948.db2.gz IRCSNMRRMZVGSO-HSZRJFAPSA-N 0 0 440.540 4.477 40 0 IIABRN Cc1ccn(C[C@@H](C)C(=O)N2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000072390229 556960171 /nfs/dbraw/zinc/96/01/71/556960171.db2.gz PKKNVABWKRYTLS-DOMZBBRYSA-N 0 0 435.450 4.097 40 0 IIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC000072390272 556960622 /nfs/dbraw/zinc/96/06/22/556960622.db2.gz CXBFHAXBEYZYHL-KGLIPLIRSA-N 0 0 435.450 4.358 40 0 IIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)[C@@H](C)n2nccc2C)C1 ZINC000072390290 556960636 /nfs/dbraw/zinc/96/06/36/556960636.db2.gz WTPKEPNDTSMQGV-KGLIPLIRSA-N 0 0 435.450 4.276 40 0 IIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC000072390274 556960694 /nfs/dbraw/zinc/96/06/94/556960694.db2.gz CXBFHAXBEYZYHL-KBPBESRZSA-N 0 0 435.450 4.358 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)C2CCCCC2)c(C)c1 ZINC000020013497 556961039 /nfs/dbraw/zinc/96/10/39/556961039.db2.gz MGANDHHZQYLGGJ-UHFFFAOYSA-N 0 0 446.588 4.391 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccn2)C1 ZINC000072390580 556961118 /nfs/dbraw/zinc/96/11/18/556961118.db2.gz IVYYUNZRYYOYAQ-HHHXNRCGSA-N 0 0 427.548 4.348 40 0 IIABRN CCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020014714 556961604 /nfs/dbraw/zinc/96/16/04/556961604.db2.gz YUKJKXZFDHMRFX-SFHVURJKSA-N 0 0 441.380 4.198 40 0 IIABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000020016735 556962458 /nfs/dbraw/zinc/96/24/58/556962458.db2.gz GRQVQLKIWZTKIE-GFCCVEGCSA-N 0 0 448.413 4.023 40 0 IIABRN Cc1cc(C)cc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000409123671 556962457 /nfs/dbraw/zinc/96/24/57/556962457.db2.gz IAPPGBNBHMSWQS-UHFFFAOYSA-N 0 0 434.867 4.380 40 0 IIABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000020018281 556963313 /nfs/dbraw/zinc/96/33/13/556963313.db2.gz WQPXJQNYHUXXGD-VWLOTQADSA-N 0 0 448.588 4.434 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000020020105 556964545 /nfs/dbraw/zinc/96/45/45/556964545.db2.gz XFRPFKXICVFLRD-UHFFFAOYSA-N 0 0 432.448 4.092 40 0 IIABRN Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409127677 556966086 /nfs/dbraw/zinc/96/60/86/556966086.db2.gz QUQCKJGGSJGNOR-IBGZPJMESA-N 0 0 438.549 4.360 40 0 IIABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000020024253 556966307 /nfs/dbraw/zinc/96/63/07/556966307.db2.gz LSKFTSSMSDKUCC-UHFFFAOYSA-N 0 0 432.439 4.104 40 0 IIABRN CSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020024570 556966521 /nfs/dbraw/zinc/96/65/21/556966521.db2.gz KTCPIYSELZJEFE-GOSISDBHSA-N 0 0 446.638 4.393 40 0 IIABRN Cc1cccc(CC(=O)N2CCC[C@@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)c1 ZINC000072396030 556968744 /nfs/dbraw/zinc/96/87/44/556968744.db2.gz WKGPMQCADINWRO-MHZLTWQESA-N 0 0 445.563 4.132 40 0 IIABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(OC)cc1 ZINC000020038405 556970764 /nfs/dbraw/zinc/97/07/64/556970764.db2.gz UGDHLSOMFNDQFQ-HXUWFJFHSA-N 0 0 436.961 4.014 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000020038051 556970858 /nfs/dbraw/zinc/97/08/58/556970858.db2.gz RQBGKBVANHHVCM-QRWLVFNGSA-N 0 0 438.977 4.161 40 0 IIABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409148896 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4.099 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000222407595 557338663 /nfs/dbraw/zinc/33/86/63/557338663.db2.gz DCCISIHYTOEVGY-JOCHJYFZSA-N 0 0 438.568 4.031 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000222473095 557342107 /nfs/dbraw/zinc/34/21/07/557342107.db2.gz RVXHJMJMWLMQDC-RDPSFJRHSA-N 0 0 440.584 4.413 40 0 IIABRN CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCN3C(=O)c3ccccc3)cn2)CC1 ZINC000072216409 557343023 /nfs/dbraw/zinc/34/30/23/557343023.db2.gz SVIYUCBTDNSRDL-NRFANRHFSA-N 0 0 436.556 4.116 40 0 IIABRN Cc1sc(NC(=O)CN2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000013565783 557343372 /nfs/dbraw/zinc/34/33/72/557343372.db2.gz SDAMDMXSFVBDCX-UHFFFAOYSA-N 0 0 440.613 4.478 40 0 IIABRN O=C(c1nccc2ccccc21)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000013566084 557343864 /nfs/dbraw/zinc/34/38/64/557343864.db2.gz YSLJDCXMMYSJKT-UHFFFAOYSA-N 0 0 444.560 4.431 40 0 IIABRN CC[C@@H](C(=O)Nc1ccccc1SC)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222495172 557344059 /nfs/dbraw/zinc/34/40/59/557344059.db2.gz CHABZNGSQBIDTL-HNNXBMFYSA-N 0 0 442.990 4.254 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222496582 557344320 /nfs/dbraw/zinc/34/43/20/557344320.db2.gz YFBCAZFWFWRKGX-JOCHJYFZSA-N 0 0 440.584 4.277 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222497118 557344672 /nfs/dbraw/zinc/34/46/72/557344672.db2.gz HPRWKVGWFZFFCW-YJBOKZPZSA-N 0 0 438.977 4.079 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000222506316 557345907 /nfs/dbraw/zinc/34/59/07/557345907.db2.gz SCSVKPCNOZIGLK-OAQYLSRUSA-N 0 0 432.948 4.059 40 0 IIABRN CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222510049 557346375 /nfs/dbraw/zinc/34/63/75/557346375.db2.gz FODGFARPXAONOO-HXUWFJFHSA-N 0 0 440.968 4.081 40 0 IIABRN Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(COc3c(C)cccc3C)n2C(C)C)s1 ZINC000013568952 557347442 /nfs/dbraw/zinc/34/74/42/557347442.db2.gz CHLJONYTPUDEAG-CQSZACIVSA-N 0 0 446.602 4.334 40 0 IIABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC)cc1OCC ZINC000222527100 557347541 /nfs/dbraw/zinc/34/75/41/557347541.db2.gz DOIDVKWQRZJQKJ-QGZVFWFLSA-N 0 0 446.975 4.233 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC)cc1 ZINC000222528876 557347846 /nfs/dbraw/zinc/34/78/46/557347846.db2.gz LMGJVFLZVRNAKH-RUZDIDTESA-N 0 0 448.538 4.153 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000222534030 557348133 /nfs/dbraw/zinc/34/81/33/557348133.db2.gz HXLRNFZLJOQPTD-HYBUGGRVSA-N 0 0 440.584 4.413 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222538196 557348610 /nfs/dbraw/zinc/34/86/10/557348610.db2.gz FXGUXVFAMHZWGX-CQSZACIVSA-N 0 0 425.381 4.390 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1C ZINC000222538905 557348629 /nfs/dbraw/zinc/34/86/29/557348629.db2.gz OELUVEUDWWCBMQ-DEOSSOPVSA-N 0 0 448.538 4.207 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCc3cccc(C)c3)c2)cc1 ZINC000222548737 557349848 /nfs/dbraw/zinc/34/98/48/557349848.db2.gz JVGCWPKFFVCNAH-UHFFFAOYSA-N 0 0 436.577 4.491 40 0 IIABRN Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000044791480 557351250 /nfs/dbraw/zinc/35/12/50/557351250.db2.gz CWOTYEOGZFVKSZ-UHFFFAOYSA-N 0 0 435.760 4.038 40 0 IIABRN CCc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccccc1 ZINC000044792173 557351556 /nfs/dbraw/zinc/35/15/56/557351556.db2.gz GSEXAJKZGTYYDM-UHFFFAOYSA-N 0 0 434.561 4.029 40 0 IIABRN COc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000044792600 557351848 /nfs/dbraw/zinc/35/18/48/557351848.db2.gz VWYKBILKHXJYOW-UHFFFAOYSA-N 0 0 448.903 4.322 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000222560794 557352339 /nfs/dbraw/zinc/35/23/39/557352339.db2.gz ABHXHKDHDXZGMW-QFIPXVFZSA-N 0 0 430.570 4.142 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC)cc1 ZINC000222579202 557355438 /nfs/dbraw/zinc/35/54/38/557355438.db2.gz LEUCJKXCTUYCCD-VWLOTQADSA-N 0 0 448.538 4.153 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C)c(C)c3)CC2)cc1C ZINC000222580738 557355732 /nfs/dbraw/zinc/35/57/32/557355732.db2.gz WSYTXPGMQINDLQ-UHFFFAOYSA-N 0 0 444.597 4.074 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000222582382 557355953 /nfs/dbraw/zinc/35/59/53/557355953.db2.gz CRROVYSMCIOICV-RUZDIDTESA-N 0 0 432.539 4.371 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000222596842 557358581 /nfs/dbraw/zinc/35/85/81/557358581.db2.gz MOWOEBICJQEEAK-QFIPXVFZSA-N 0 0 432.586 4.126 40 0 IIABRN CCOc1ccc(N(CCCC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 ZINC000222618797 557362661 /nfs/dbraw/zinc/36/26/61/557362661.db2.gz NSPXXGMZAIGMFZ-UHFFFAOYSA-N 0 0 444.475 4.289 40 0 IIABRN CCOc1ccc(N(CCCC(=O)Nc2c(CC)cccc2CC)S(C)(=O)=O)cc1 ZINC000222620031 557363251 /nfs/dbraw/zinc/36/32/51/557363251.db2.gz ZOQVKOMVNVOTBI-UHFFFAOYSA-N 0 0 432.586 4.395 40 0 IIABRN CCOc1ccc(N(CCCC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 ZINC000222621311 557363409 /nfs/dbraw/zinc/36/34/09/557363409.db2.gz VPVQEQYCDAGDIG-UHFFFAOYSA-N 0 0 434.558 4.057 40 0 IIABRN CCc1ccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000222642394 557367317 /nfs/dbraw/zinc/36/73/17/557367317.db2.gz XQAOKLMRKOQYPV-UHFFFAOYSA-N 0 0 442.625 4.277 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222670301 557371360 /nfs/dbraw/zinc/37/13/60/557371360.db2.gz CJTUNTHQCRAKGU-CYBMUJFWSA-N 0 0 443.758 4.497 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000222671160 557371588 /nfs/dbraw/zinc/37/15/88/557371588.db2.gz ATJSYAXRNSTRQT-INIZCTEOSA-N 0 0 437.367 4.461 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000222672576 557371942 /nfs/dbraw/zinc/37/19/42/557371942.db2.gz YJZSYYZZGPHOSF-SFHVURJKSA-N 0 0 436.533 4.152 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000222680212 557373134 /nfs/dbraw/zinc/37/31/34/557373134.db2.gz GHDOPGGQOJQXAH-GFCCVEGCSA-N 0 0 429.731 4.189 40 0 IIABRN Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000222679937 557373170 /nfs/dbraw/zinc/37/31/70/557373170.db2.gz YFEGCFVGPGQNOS-UHFFFAOYSA-N 0 0 438.549 4.108 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222682307 557373460 /nfs/dbraw/zinc/37/34/60/557373460.db2.gz BHKXNIWCHLLTCG-LLVKDONJSA-N 0 0 431.722 4.492 40 0 IIABRN Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000222687000 557374415 /nfs/dbraw/zinc/37/44/15/557374415.db2.gz NBYXKFIIYMOOAR-UHFFFAOYSA-N 0 0 438.549 4.108 40 0 IIABRN Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C ZINC000222717158 557378850 /nfs/dbraw/zinc/37/88/50/557378850.db2.gz RRCQJAZBWHSPQT-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN COCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222721023 557379031 /nfs/dbraw/zinc/37/90/31/557379031.db2.gz RVMVNNIRIAMCTG-UHFFFAOYSA-N 0 0 427.353 4.242 40 0 IIABRN C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000113941606 557380148 /nfs/dbraw/zinc/38/01/48/557380148.db2.gz AXKIUJQAAFTYNU-LLVKDONJSA-N 0 0 435.760 4.118 40 0 IIABRN CCc1ccccc1NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000113962867 557382416 /nfs/dbraw/zinc/38/24/16/557382416.db2.gz XFAXGGIYFHXOIB-UHFFFAOYSA-N 0 0 428.476 4.453 40 0 IIABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCCc3ccco3)cc2)S(C)(=O)=O)c1 ZINC000113965368 557383479 /nfs/dbraw/zinc/38/34/79/557383479.db2.gz KHCAGHFJBHBHMT-UHFFFAOYSA-N 0 0 440.565 4.225 40 0 IIABRN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222767303 557384497 /nfs/dbraw/zinc/38/44/97/557384497.db2.gz NHNNNTKXVSAUNF-FQEVSTJZSA-N 0 0 444.531 4.082 40 0 IIABRN COc1ccc([C@@H]2CC(=O)c3c[nH]c4nn(-c5nc6ccccc6s5)c(=O)c-4c3C2)cc1 ZINC000013639611 557384966 /nfs/dbraw/zinc/38/49/66/557384966.db2.gz XBJCMVNTAABSTO-AWEZNQCLSA-N 0 0 442.500 4.245 40 0 IIABRN COc1ccc(C(=O)CSc2nc3ccccc3c3nc(-c4ccncc4)nn32)cc1 ZINC000013640205 557385228 /nfs/dbraw/zinc/38/52/28/557385228.db2.gz YOJDWKMZNKTYIB-UHFFFAOYSA-N 0 0 427.489 4.323 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(OC)cc2)cc1 ZINC000072354774 557387459 /nfs/dbraw/zinc/38/74/59/557387459.db2.gz CUVNHXCBISKHHK-JOCHJYFZSA-N 0 0 432.524 4.039 40 0 IIABRN CN(CCc1ccccn1)C(=O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 ZINC000072356284 557387751 /nfs/dbraw/zinc/38/77/51/557387751.db2.gz RIBBUUHFUJGORI-QHCPKHFHSA-N 0 0 427.548 4.132 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000222800929 557387830 /nfs/dbraw/zinc/38/78/30/557387830.db2.gz ZAQQGOYKYKSBBN-UZLBHIALSA-N 0 0 448.560 4.179 40 0 IIABRN CCOc1ccc(N(CCCC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000222810940 557389277 /nfs/dbraw/zinc/38/92/77/557389277.db2.gz MEODIJDHZSNLLU-UHFFFAOYSA-N 0 0 440.565 4.101 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222814391 557389560 /nfs/dbraw/zinc/38/95/60/557389560.db2.gz JINXLCPDXZETPX-FQEVSTJZSA-N 0 0 430.548 4.381 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccccc1 ZINC000222832976 557391529 /nfs/dbraw/zinc/39/15/29/557391529.db2.gz HOGACWAKIKFSQM-QHCPKHFHSA-N 0 0 426.557 4.186 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000222837113 557391905 /nfs/dbraw/zinc/39/19/05/557391905.db2.gz STHRKPCZCRBDJM-JOCHJYFZSA-N 0 0 426.557 4.023 40 0 IIABRN C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222843949 557392987 /nfs/dbraw/zinc/39/29/87/557392987.db2.gz LNFNGPYWXUUOAY-LJQANCHMSA-N 0 0 435.955 4.401 40 0 IIABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)c(OC)c1 ZINC000222858251 557394999 /nfs/dbraw/zinc/39/49/99/557394999.db2.gz SJWHSIXWUHMDRL-AWEZNQCLSA-N 0 0 445.903 4.142 40 0 IIABRN Cc1ccc(-c2nnc(NC(=O)CCCN(c3ccccc3C)S(C)(=O)=O)s2)cc1 ZINC000222869490 557396323 /nfs/dbraw/zinc/39/63/23/557396323.db2.gz CNUOBUQJDDCWAX-UHFFFAOYSA-N 0 0 444.582 4.007 40 0 IIABRN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCOCCOc1ccccc1C ZINC000033419664 557396378 /nfs/dbraw/zinc/39/63/78/557396378.db2.gz IEPIGDUSGOGUAY-RCCKNPSSSA-N 0 0 442.537 4.007 40 0 IIABRN COc1cc(OC)c([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC ZINC000013995240 557401381 /nfs/dbraw/zinc/40/13/81/557401381.db2.gz WDTPNVWISUOXGW-SZNDQCEHSA-N 0 0 439.537 4.370 40 0 IIABRN COc1cc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC ZINC000013995263 557401439 /nfs/dbraw/zinc/40/14/39/557401439.db2.gz BAHRPMBXLFOWIT-SZNDQCEHSA-N 0 0 439.537 4.370 40 0 IIABRN COC(=O)c1ccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(OC)cc2)cc1 ZINC000013995493 557402010 /nfs/dbraw/zinc/40/20/10/557402010.db2.gz IIVZEUXSSSUIND-JLTOFOAXSA-N 0 0 437.521 4.139 40 0 IIABRN C[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222929669 557404473 /nfs/dbraw/zinc/40/44/73/557404473.db2.gz SDJLKHBWXVNUOT-CQSZACIVSA-N 0 0 438.952 4.001 40 0 IIABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 ZINC000222945513 557406867 /nfs/dbraw/zinc/40/68/67/557406867.db2.gz QLWARLXHALIAIR-YADHBBJMSA-N 0 0 434.565 4.287 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000222960258 557408493 /nfs/dbraw/zinc/40/84/93/557408493.db2.gz KDMYGYUBTNKKKY-FDDCHVKYSA-N 0 0 428.598 4.296 40 0 IIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)OC)cc1 ZINC000222990063 557412887 /nfs/dbraw/zinc/41/28/87/557412887.db2.gz GXRGQXZXBDKCSS-VXKWHMMOSA-N 0 0 434.565 4.432 40 0 IIABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)OC)cc1 ZINC000222990129 557412895 /nfs/dbraw/zinc/41/28/95/557412895.db2.gz GXRGQXZXBDKCSS-YADHBBJMSA-N 0 0 434.565 4.432 40 0 IIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000223024095 557416652 /nfs/dbraw/zinc/41/66/52/557416652.db2.gz CPJOPZIIISXDJU-RTWAWAEBSA-N 0 0 426.973 4.453 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)ccc1C ZINC000223024603 557416670 /nfs/dbraw/zinc/41/66/70/557416670.db2.gz CBJQSVSYMZTNQM-KRWDZBQOSA-N 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557419189 /nfs/dbraw/zinc/41/91/89/557419189.db2.gz AYAXHCCUBHAQCO-INIZCTEOSA-N 0 0 449.414 4.485 40 0 IIABRN CC[C@@H](NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223040506 557419717 /nfs/dbraw/zinc/41/97/17/557419717.db2.gz APJAAZMSYYTNDF-JOCHJYFZSA-N 0 0 428.598 4.216 40 0 IIABRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)n2CC)cc1 ZINC000014121491 557420631 /nfs/dbraw/zinc/42/06/31/557420631.db2.gz YTMWVRYAVYMHSY-UHFFFAOYSA-N 0 0 426.542 4.315 40 0 IIABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(C)=O)cc1 ZINC000223047146 557420751 /nfs/dbraw/zinc/42/07/51/557420751.db2.gz DSRVGIAQCNDHGY-SANMLTNESA-N 0 0 430.548 4.014 40 0 IIABRN Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223061378 557423745 /nfs/dbraw/zinc/42/37/45/557423745.db2.gz ZOLFKQWJFKFNIG-IBGZPJMESA-N 0 0 440.540 4.202 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1 ZINC000223065931 557424759 /nfs/dbraw/zinc/42/47/59/557424759.db2.gz YSXGURSYEPPQJT-QGZVFWFLSA-N 0 0 447.373 4.162 40 0 IIABRN CCCCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000014154458 557426170 /nfs/dbraw/zinc/42/61/70/557426170.db2.gz ZSAWNFGQLLECMR-UHFFFAOYSA-N 0 0 429.369 4.413 40 0 IIABRN O=C(NCCSCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000014155497 557427177 /nfs/dbraw/zinc/42/71/77/557427177.db2.gz VCHGLTJVJFLRSV-UHFFFAOYSA-N 0 0 426.563 4.151 40 0 IIABRN CCc1ccc(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014155420 557427187 /nfs/dbraw/zinc/42/71/87/557427187.db2.gz QKJVJENTRBOQOG-UHFFFAOYSA-N 0 0 448.654 4.401 40 0 IIABRN Cc1ccc(N([C@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000014155881 557427340 /nfs/dbraw/zinc/42/73/40/557427340.db2.gz PGEASLLIPVTWQJ-MRXNPFEDSA-N 0 0 441.018 4.020 40 0 IIABRN COc1ccc(CN(C(=O)COc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223091328 557430145 /nfs/dbraw/zinc/43/01/45/557430145.db2.gz GOYHPDTTZGKXPH-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN COc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223092193 557430163 /nfs/dbraw/zinc/43/01/63/557430163.db2.gz ULDIVMGOXSWKPK-IBGZPJMESA-N 0 0 426.557 4.023 40 0 IIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000014270982 557430256 /nfs/dbraw/zinc/43/02/56/557430256.db2.gz SCYZVJIPJRMSLP-UHFFFAOYSA-N 0 0 449.511 4.068 40 0 IIABRN O=C(COc1ccc(Cl)cc1Br)NCC1(c2ccccc2)CCOCC1 ZINC000223098580 557431380 /nfs/dbraw/zinc/43/13/80/557431380.db2.gz ILECEMSTUAWBTQ-UHFFFAOYSA-N 0 0 438.749 4.346 40 0 IIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(CC)cc3)cc2Cl)CC1 ZINC000014273467 557433011 /nfs/dbraw/zinc/43/30/11/557433011.db2.gz CEVWELMPVVBMRK-UHFFFAOYSA-N 0 0 443.975 4.369 40 0 IIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1Br ZINC000014291293 557434320 /nfs/dbraw/zinc/43/43/20/557434320.db2.gz CICGKOCSFYXXHQ-UHFFFAOYSA-N 0 0 444.314 4.185 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000223123505 557434843 /nfs/dbraw/zinc/43/48/43/557434843.db2.gz HCKUHQHPTZZUDT-UHFFFAOYSA-N 0 0 438.524 4.143 40 0 IIABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC ZINC000223125239 557435243 /nfs/dbraw/zinc/43/52/43/557435243.db2.gz GHQBXQJUANLUKF-QFIPXVFZSA-N 0 0 430.976 4.233 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 ZINC000223126322 557435459 /nfs/dbraw/zinc/43/54/59/557435459.db2.gz FLLAWLNSGUCVIP-UHFFFAOYSA-N 0 0 437.295 4.457 40 0 IIABRN O=C(c1cc2cc3ccccc3nc2s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000223133050 557436747 /nfs/dbraw/zinc/43/67/47/557436747.db2.gz MCSISZYVKAKHSF-UHFFFAOYSA-N 0 0 431.517 4.136 40 0 IIABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000014399541 557436743 /nfs/dbraw/zinc/43/67/43/557436743.db2.gz OFWKTJVCRAPWPC-HNNXBMFYSA-N 0 0 444.484 4.041 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000014399902 557437005 /nfs/dbraw/zinc/43/70/05/557437005.db2.gz LVBFAWQPDILXCB-INIZCTEOSA-N 0 0 438.977 4.393 40 0 IIABRN Cc1c([C@H]([C@H]2C(=O)CC(C)(C)C[C@@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@@H]2O)c2ccccc2n1C ZINC000408820233 557437827 /nfs/dbraw/zinc/43/78/27/557437827.db2.gz URWHRGDLLYFZPX-HNFUBQCNSA-N 0 0 439.596 4.303 40 0 IIABRN COc1ccc(-c2ncc(C(=O)Nc3ccc(I)cc3)c(C)n2)cc1 ZINC000223140945 557438247 /nfs/dbraw/zinc/43/82/47/557438247.db2.gz TVQUZHLCULKOSX-UHFFFAOYSA-N 0 0 445.260 4.318 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1 ZINC000223143820 557438460 /nfs/dbraw/zinc/43/84/60/557438460.db2.gz OZSFBRPVQJEUDD-SJORKVTESA-N 0 0 431.374 4.324 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 ZINC000223156143 557440047 /nfs/dbraw/zinc/44/00/47/557440047.db2.gz KBHXAWMBSFRSRP-KRWDZBQOSA-N 0 0 446.638 4.249 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223173653 557441514 /nfs/dbraw/zinc/44/15/14/557441514.db2.gz UWRFHGFZLWNTPD-FQEVSTJZSA-N 0 0 449.938 4.007 40 0 IIABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCCC1 ZINC000223187996 557443168 /nfs/dbraw/zinc/44/31/68/557443168.db2.gz LTCKXOIFAGMXHS-SFHVURJKSA-N 0 0 426.582 4.149 40 0 IIABRN C[C@@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223190392 557443592 /nfs/dbraw/zinc/44/35/92/557443592.db2.gz CEDVUFZPBLHOHJ-QGZVFWFLSA-N 0 0 428.598 4.116 40 0 IIABRN COCCNC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000014411264 557444397 /nfs/dbraw/zinc/44/43/97/557444397.db2.gz NPJUYVKJAZARER-UHFFFAOYSA-N 0 0 427.353 4.242 40 0 IIABRN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C ZINC000014400230 557445861 /nfs/dbraw/zinc/44/58/61/557445861.db2.gz CQSQQIZJOAKJNF-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000223214298 557446935 /nfs/dbraw/zinc/44/69/35/557446935.db2.gz OTUCAVULAMAXLD-UHFFFAOYSA-N 0 0 436.577 4.323 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000223222006 557447430 /nfs/dbraw/zinc/44/74/30/557447430.db2.gz DVRKMENJKYPKTB-SANMLTNESA-N 0 0 444.575 4.458 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 ZINC000223224708 557447983 /nfs/dbraw/zinc/44/79/83/557447983.db2.gz QBPQCYVTDDFIOS-JOCHJYFZSA-N 0 0 426.557 4.105 40 0 IIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118109 557448968 /nfs/dbraw/zinc/44/89/68/557448968.db2.gz RNXGAFJSUGVSPW-KRWDZBQOSA-N 0 0 432.611 4.320 40 0 IIABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc2c(c1)CCC2 ZINC000223233016 557449235 /nfs/dbraw/zinc/44/92/35/557449235.db2.gz DQOADZMVUDYZDL-SFHVURJKSA-N 0 0 426.582 4.087 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1Cl ZINC000223235273 557449513 /nfs/dbraw/zinc/44/95/13/557449513.db2.gz AFHZKQGDFRDNRR-HOTGVXAUSA-N 0 0 434.989 4.169 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223268957 557453630 /nfs/dbraw/zinc/45/36/30/557453630.db2.gz NGJPBMBUUCSJIE-LJQANCHMSA-N 0 0 444.547 4.327 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223279256 557455070 /nfs/dbraw/zinc/45/50/70/557455070.db2.gz XXGWRFGFIKUDLD-RUZDIDTESA-N 0 0 430.548 4.014 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223284869 557455685 /nfs/dbraw/zinc/45/56/85/557455685.db2.gz UIFNCHRIMCEHKM-IBGZPJMESA-N 0 0 446.613 4.387 40 0 IIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1Cc1ccco1 ZINC000223300906 557457057 /nfs/dbraw/zinc/45/70/57/557457057.db2.gz LSQOKRIYUXLZCX-AJSBUHFISA-N 0 0 436.581 4.293 40 0 IIABRN CSc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000223303874 557457273 /nfs/dbraw/zinc/45/72/73/557457273.db2.gz QIWNXDAOARFOME-UHFFFAOYSA-N 0 0 446.638 4.334 40 0 IIABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000223354493 557461641 /nfs/dbraw/zinc/46/16/41/557461641.db2.gz AMXSUYXIJABWCY-UHFFFAOYSA-N 0 0 432.524 4.433 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000223369312 557463452 /nfs/dbraw/zinc/46/34/52/557463452.db2.gz BSMIQGCYEXUQKW-QGZVFWFLSA-N 0 0 427.303 4.065 40 0 IIABRN O=C(c1cccc(Br)c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000015787639 557463757 /nfs/dbraw/zinc/46/37/57/557463757.db2.gz JQYPYKOXHKZXET-UHFFFAOYSA-N 0 0 435.190 4.107 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000223374539 557464244 /nfs/dbraw/zinc/46/42/44/557464244.db2.gz QENMOIQLYYPKCG-HXUWFJFHSA-N 0 0 434.989 4.135 40 0 IIABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)c2ccccc2F)o1 ZINC000015935411 557466837 /nfs/dbraw/zinc/46/68/37/557466837.db2.gz IYTRVXCYWOGEEO-HXUWFJFHSA-N 0 0 442.516 4.416 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 ZINC000223407244 557467904 /nfs/dbraw/zinc/46/79/04/557467904.db2.gz DTFOIZNCTSUWBY-INIZCTEOSA-N 0 0 430.501 4.039 40 0 IIABRN COc1ccc([C@H]2C[C@@](O)(c3ccc(OC)c(OC)c3)SCCSC2=N)cc1OC ZINC000016227271 557471402 /nfs/dbraw/zinc/47/14/02/557471402.db2.gz SHHXYJGRXUUZFH-ZHRRBRCNSA-N 0 0 449.594 4.497 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccccc1 ZINC000223454160 557473893 /nfs/dbraw/zinc/47/38/93/557473893.db2.gz WBIUXSURDVZUKX-HXUWFJFHSA-N 0 0 426.557 4.188 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1C ZINC000223456840 557474227 /nfs/dbraw/zinc/47/42/27/557474227.db2.gz YXJUIWAIHDHCFZ-LJQANCHMSA-N 0 0 432.586 4.042 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000223475414 557476520 /nfs/dbraw/zinc/47/65/20/557476520.db2.gz HJIAAVQFANLHAP-UWJYYQICSA-N 0 0 434.989 4.296 40 0 IIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)c(F)c1F ZINC000017096812 557477689 /nfs/dbraw/zinc/47/76/89/557477689.db2.gz MQGWEPRUIBANJW-UHFFFAOYSA-N 0 0 430.423 4.382 40 0 IIABRN COc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000017096874 557477917 /nfs/dbraw/zinc/47/79/17/557477917.db2.gz VAEFRPSKFFFOSI-UHFFFAOYSA-N 0 0 430.482 4.105 40 0 IIABRN COc1cc(CN(C(=O)c2ccccc2Cl)C2CCCCC2)ccc1OCC(N)=O ZINC000017097260 557478553 /nfs/dbraw/zinc/47/85/53/557478553.db2.gz MIDQYEYHEJDDDZ-UHFFFAOYSA-N 0 0 430.932 4.188 40 0 IIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1cccnc1 ZINC000223490503 557478864 /nfs/dbraw/zinc/47/88/64/557478864.db2.gz ZBGMNLTTXYQDHV-DHIUTWEWSA-N 0 0 426.549 4.143 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223497736 557479478 /nfs/dbraw/zinc/47/94/78/557479478.db2.gz YNWWPNYHCPSKBE-DEOSSOPVSA-N 0 0 436.502 4.284 40 0 IIABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223497787 557479590 /nfs/dbraw/zinc/47/95/90/557479590.db2.gz CPFWQLMVRDGYBA-PGRDOPGGSA-N 0 0 432.586 4.042 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccccc1 ZINC000223500232 557479775 /nfs/dbraw/zinc/47/97/75/557479775.db2.gz XXNXXJWLAQCYEE-HXUWFJFHSA-N 0 0 426.557 4.188 40 0 IIABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223508145 557480429 /nfs/dbraw/zinc/48/04/29/557480429.db2.gz VTGQKOYAVMANOX-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000223510044 557480699 /nfs/dbraw/zinc/48/06/99/557480699.db2.gz OOCDGPNKGLXHKC-HYBUGGRVSA-N 0 0 442.625 4.101 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C ZINC000223512818 557481107 /nfs/dbraw/zinc/48/11/07/557481107.db2.gz RMTZDZWDIHKMMA-HXUWFJFHSA-N 0 0 426.557 4.024 40 0 IIABRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000017098714 557481877 /nfs/dbraw/zinc/48/18/77/557481877.db2.gz QBUOKHDUPABULK-FZPLPXEFSA-N 0 0 433.986 4.152 40 0 IIABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2Cl)CC1 ZINC000017100006 557483962 /nfs/dbraw/zinc/48/39/62/557483962.db2.gz CFVIEJHCQTVWEL-UHFFFAOYSA-N 0 0 436.339 4.313 40 0 IIABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223547845 557484247 /nfs/dbraw/zinc/48/42/47/557484247.db2.gz AIROELMSVWIUEY-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN COc1cc(NC(=S)NC(=O)c2ccc(C)cc2)ccc1NC(=O)c1cccs1 ZINC000017094515 557484378 /nfs/dbraw/zinc/48/43/78/557484378.db2.gz HCYLYQWEGHSCHL-UHFFFAOYSA-N 0 0 425.535 4.444 40 0 IIABRN Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223548307 557484382 /nfs/dbraw/zinc/48/43/82/557484382.db2.gz XAYWFSRKERKZGP-PKTZIBPZSA-N 0 0 427.533 4.146 40 0 IIABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)C)cc3n2)c(C)c1 ZINC000017102720 557491574 /nfs/dbraw/zinc/49/15/74/557491574.db2.gz FXBXTDXTUUOECB-UHFFFAOYSA-N 0 0 438.601 4.353 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000223627132 557493471 /nfs/dbraw/zinc/49/34/71/557493471.db2.gz YGIMRTRRYLSHFW-NRFANRHFSA-N 0 0 446.975 4.450 40 0 IIABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000223630330 557494081 /nfs/dbraw/zinc/49/40/81/557494081.db2.gz SYFFRUHNBFGGPS-UHFFFAOYSA-N 0 0 432.716 4.316 40 0 IIABRN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118928266 557495186 /nfs/dbraw/zinc/49/51/86/557495186.db2.gz BPYSIBBIDTVCQX-WVYMMIFQSA-N 0 0 434.617 4.135 40 0 IIABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223645836 557496301 /nfs/dbraw/zinc/49/63/01/557496301.db2.gz LZSQCLNHQDKKBG-UHFFFAOYSA-N 0 0 432.716 4.316 40 0 IIABRN Cc1ccc(NC(=O)COc2c(Br)cc(C=O)cc2Br)cc1 ZINC000319062656 557497040 /nfs/dbraw/zinc/49/70/40/557497040.db2.gz NZJWTVYOAYUTIC-UHFFFAOYSA-N 0 0 427.092 4.350 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000223649649 557497160 /nfs/dbraw/zinc/49/71/60/557497160.db2.gz MZUZTFNNUDWXJN-RPWUZVMVSA-N 0 0 448.592 4.084 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223651215 557497342 /nfs/dbraw/zinc/49/73/42/557497342.db2.gz MUCNNPDVLYDUGJ-JOCHJYFZSA-N 0 0 438.568 4.380 40 0 IIABRN c1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccc4ncccc4c3)CC2)cc1 ZINC000019372959 557498871 /nfs/dbraw/zinc/49/88/71/557498871.db2.gz DVKWFKQGGRFKGK-VWLOTQADSA-N 0 0 439.567 4.248 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223667127 557499489 /nfs/dbraw/zinc/49/94/89/557499489.db2.gz UJHQXJCNSUYMOB-RTWAWAEBSA-N 0 0 425.485 4.016 40 0 IIABRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000223669464 557499661 /nfs/dbraw/zinc/49/96/61/557499661.db2.gz VUDXYMRJNGIDJQ-UHFFFAOYSA-N 0 0 433.576 4.183 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000223699855 557503653 /nfs/dbraw/zinc/50/36/53/557503653.db2.gz PLJRMROVGQTJRL-PKTZIBPZSA-N 0 0 434.565 4.025 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1 ZINC000223716454 557505599 /nfs/dbraw/zinc/50/55/99/557505599.db2.gz IYJHTRLRIWFGCP-NRFANRHFSA-N 0 0 430.976 4.483 40 0 IIABRN CSc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1NC(C)=O ZINC000223727141 557506481 /nfs/dbraw/zinc/50/64/81/557506481.db2.gz JYPJLMGAKGUJCF-UHFFFAOYSA-N 0 0 445.031 4.232 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223743223 557508069 /nfs/dbraw/zinc/50/80/69/557508069.db2.gz AZGIYTBKXHQEJE-JOCHJYFZSA-N 0 0 438.568 4.380 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 ZINC000223783514 557512636 /nfs/dbraw/zinc/51/26/36/557512636.db2.gz CITMRXBPVZJUDW-UHFFFAOYSA-N 0 0 446.931 4.033 40 0 IIABRN CCc1ccc(N(CCCC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000223824188 557517580 /nfs/dbraw/zinc/51/75/80/557517580.db2.gz RZXITEGNPGAOPR-UHFFFAOYSA-N 0 0 446.613 4.114 40 0 IIABRN Cc1ccc(CN(c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000223826715 557517893 /nfs/dbraw/zinc/51/78/93/557517893.db2.gz WQGLDQNQCLMAKW-UHFFFAOYSA-N 0 0 440.540 4.073 40 0 IIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1cccnc1 ZINC000223851183 557520838 /nfs/dbraw/zinc/52/08/38/557520838.db2.gz JGYALYFXXZWTKA-DHIUTWEWSA-N 0 0 427.533 4.458 40 0 IIABRN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c(C)c1 ZINC000020412597 557520954 /nfs/dbraw/zinc/52/09/54/557520954.db2.gz QZJGCWLLZDAOKE-UHFFFAOYSA-N 0 0 443.975 4.279 40 0 IIABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223858542 557521619 /nfs/dbraw/zinc/52/16/19/557521619.db2.gz FPAPFUTVGYRWLQ-KRWDZBQOSA-N 0 0 428.960 4.367 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc31)CC2)c1ccc(F)c(Cl)c1 ZINC000223874316 557523934 /nfs/dbraw/zinc/52/39/34/557523934.db2.gz NQKQQCIGZMPUDO-UHFFFAOYSA-N 0 0 432.904 4.136 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000223890073 557525488 /nfs/dbraw/zinc/52/54/88/557525488.db2.gz MHSYWKAVEBFOAM-UHFFFAOYSA-N 0 0 446.638 4.421 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000223918398 557528790 /nfs/dbraw/zinc/52/87/90/557528790.db2.gz TXIYXEMUNFKEQP-CYBMUJFWSA-N 0 0 427.303 4.065 40 0 IIABRN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H](C)C2)cc1Br ZINC000004091708 557530844 /nfs/dbraw/zinc/53/08/44/557530844.db2.gz VWISBCSFWODKEL-YRILPIOLSA-N 0 0 437.334 4.208 40 0 IIABRN Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1S(=O)(=O)Nc1ccccc1 ZINC000223938182 557531298 /nfs/dbraw/zinc/53/12/98/557531298.db2.gz KORDGXIBJLOUBM-UHFFFAOYSA-N 0 0 444.940 4.258 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCOc2ccc(F)cc2)ccc1C ZINC000223941567 557531810 /nfs/dbraw/zinc/53/18/10/557531810.db2.gz GGXVZAGJESSXSS-UHFFFAOYSA-N 0 0 442.512 4.052 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223945454 557532475 /nfs/dbraw/zinc/53/24/75/557532475.db2.gz VWTHSPAOFOWNBV-QFIPXVFZSA-N 0 0 446.975 4.451 40 0 IIABRN CC(C)Oc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000223967031 557535973 /nfs/dbraw/zinc/53/59/73/557535973.db2.gz BTAHABRJEKPGKH-UHFFFAOYSA-N 0 0 442.512 4.344 40 0 IIABRN CC(C)Oc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 ZINC000223968336 557536135 /nfs/dbraw/zinc/53/61/35/557536135.db2.gz AOOFAPZYVWSCTK-UHFFFAOYSA-N 0 0 442.512 4.344 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)c(C)c1 ZINC000223971471 557536628 /nfs/dbraw/zinc/53/66/28/557536628.db2.gz XVQFSMPXLQZOEW-UHFFFAOYSA-N 0 0 438.549 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ZINC000260772342 557854951 /nfs/dbraw/zinc/85/49/51/557854951.db2.gz XCLPLVDMYMXWMC-GJZGRUSLSA-N 0 0 442.503 4.300 40 0 IIABRN CC[C@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000260790538 557855998 /nfs/dbraw/zinc/85/59/98/557855998.db2.gz CUFUAACTJBSDGF-RXVVDRJESA-N 0 0 432.586 4.042 40 0 IIABRN Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)COc2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000260793353 557856140 /nfs/dbraw/zinc/85/61/40/557856140.db2.gz ISQJAUPNXATYHC-OAQYLSRUSA-N 0 0 446.613 4.050 40 0 IIABRN CC(C)c1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000260828944 557858690 /nfs/dbraw/zinc/85/86/90/557858690.db2.gz GEJGTCGZFOIYMG-GOSISDBHSA-N 0 0 428.598 4.332 40 0 IIABRN Cc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000260834456 557859819 /nfs/dbraw/zinc/85/98/19/557859819.db2.gz MCHXBCPSDCPDPQ-MRXNPFEDSA-N 0 0 434.989 4.171 40 0 IIABRN Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 ZINC000260834625 557859828 /nfs/dbraw/zinc/85/98/28/557859828.db2.gz NKOSDCAGCUKDQU-RBUKOAKNSA-N 0 0 428.598 4.214 40 0 IIABRN Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 ZINC000260838644 557860238 /nfs/dbraw/zinc/86/02/38/557860238.db2.gz UFJZTYNNYXAIOB-MOPGFXCFSA-N 0 0 428.598 4.214 40 0 IIABRN Cc1ccc(N([C@H](C)C(=O)NCc2cccc3ccccc32)S(C)(=O)=O)cc1Cl ZINC000260838515 557860295 /nfs/dbraw/zinc/86/02/95/557860295.db2.gz SLUKBWHTCCTBPN-MRXNPFEDSA-N 0 0 430.957 4.273 40 0 IIABRN FC(F)(F)c1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccccn3)n2)cc1 ZINC000015675538 560094956 /nfs/dbraw/zinc/09/49/56/560094956.db2.gz HGRAWEDNDVQJSY-SFHVURJKSA-N 0 0 426.402 4.173 40 0 biogenic,in-vitro IIABRN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccc(OC(F)(F)F)c3)n2)cc1F ZINC000015674348 560231167 /nfs/dbraw/zinc/23/11/67/560231167.db2.gz ANJJZNHBWLNLKI-QAPCUYQASA-N 0 0 437.393 4.391 40 0 biogenic,in-vitro IIABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(ccc5ccccc45)o3)CC2)cc1 ZINC000010288636 568621043 /nfs/dbraw/zinc/62/10/43/568621043.db2.gz GFACETGYSNQSNB-UHFFFAOYSA-N 0 0 434.517 4.041 40 0 IIABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000222546965 568626488 /nfs/dbraw/zinc/62/64/88/568626488.db2.gz WVQFWRISMCFHCE-KRWDZBQOSA-N 0 0 431.341 4.185 40 0 IIABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000260892610 568627417 /nfs/dbraw/zinc/62/74/17/568627417.db2.gz AJRCWOXOZFYMHU-MRXNPFEDSA-N 0 0 438.977 4.013 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC000260892633 568627552 /nfs/dbraw/zinc/62/75/52/568627552.db2.gz BDLPOJAZUOGLRA-MRXNPFEDSA-N 0 0 442.503 4.370 40 0 IIABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(C)cc1C ZINC000260910146 568628990 /nfs/dbraw/zinc/62/89/90/568628990.db2.gz WYRNPZIAOSYQBO-REWPJTCUSA-N 0 0 428.598 4.280 40 0 IIABRN CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000260912176 568629360 /nfs/dbraw/zinc/62/93/60/568629360.db2.gz ALSCSMWMDBIPDX-VFNWGFHPSA-N 0 0 434.989 4.251 40 0 IIABRN CCOc1ccc(N(CCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000260922525 568629690 /nfs/dbraw/zinc/62/96/90/568629690.db2.gz HDPOKWZOZKLHBB-HXUWFJFHSA-N 0 0 446.613 4.434 40 0 IIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1nccs1 ZINC000260918000 568630244 /nfs/dbraw/zinc/63/02/44/568630244.db2.gz KLWXZVJKPPXWNQ-LSTHTHJFSA-N 0 0 439.610 4.097 40 0 IIABRN Cc1c(CN(C)C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cnn1C ZINC000000901728 568636093 /nfs/dbraw/zinc/63/60/93/568636093.db2.gz WRDCYJPSJURHJJ-UHFFFAOYSA-N 0 0 441.504 4.017 40 0 IIABRN CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000254703002 568644744 /nfs/dbraw/zinc/64/47/44/568644744.db2.gz LMRPLLZUGUXFDJ-BGGIZORDSA-N 0 0 448.600 4.022 40 0 IIABRN COc1cc(C)c(CN2CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)c1C ZINC000257201048 568665443 /nfs/dbraw/zinc/66/54/43/568665443.db2.gz AFYZUACHISNESY-SANMLTNESA-N 0 0 445.563 4.355 40 0 IIABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCOC[C@H](Cc4ccc5cnccc5c4)C3)c2)n1 ZINC000257203600 568666937 /nfs/dbraw/zinc/66/69/37/568666937.db2.gz AQVHVHYEOVEMRM-JOCHJYFZSA-N 0 0 440.547 4.369 40 0 IIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257208735 568669198 /nfs/dbraw/zinc/66/91/98/568669198.db2.gz BNKRCPGUTBMLMZ-OAQYLSRUSA-N 0 0 449.990 4.497 40 0 IIABRN O=C(NC[C@@H]1COc2ccccc2O1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257209685 568669383 /nfs/dbraw/zinc/66/93/83/568669383.db2.gz BRMHAJPTTHWUQD-HSZRJFAPSA-N 0 0 444.531 4.044 40 0 IIABRN Cc1nc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)co1 ZINC000257211895 568670707 /nfs/dbraw/zinc/67/07/07/568670707.db2.gz CAZACABPKIOZEU-WFXMLNOXSA-N 0 0 435.446 4.407 40 0 IIABRN O=C(COc1ccccc1F)N1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 ZINC000257216469 568672801 /nfs/dbraw/zinc/67/28/01/568672801.db2.gz CUPWDJJSAFNKQF-OAQYLSRUSA-N 0 0 445.498 4.452 40 0 IIABRN Cc1c2ccccc2oc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257224421 568676325 /nfs/dbraw/zinc/67/63/25/568676325.db2.gz FBTQVSIKTRTZPD-HSZRJFAPSA-N 0 0 439.515 4.329 40 0 IIABRN CNC(=O)[C@@]1(c2cccc(C)n2)CCCN1Cc1ccccc1OCc1cccc(F)c1 ZINC000257226584 568677299 /nfs/dbraw/zinc/67/72/99/568677299.db2.gz FLGLRHLTVUWTSZ-SANMLTNESA-N 0 0 433.527 4.345 40 0 IIABRN CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccncc2)CC1 ZINC000257226606 568677352 /nfs/dbraw/zinc/67/73/52/568677352.db2.gz FLILBZZDBOFKRE-UHFFFAOYSA-N 0 0 433.577 4.411 40 0 IIABRN CC(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3OCC(C)C)c2)C1 ZINC000257228824 568678487 /nfs/dbraw/zinc/67/84/87/568678487.db2.gz FVKBJAWGCQNQPW-OAQYLSRUSA-N 0 0 433.556 4.454 40 0 IIABRN O=C(CN1CCCCCC1=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257231679 568679596 /nfs/dbraw/zinc/67/95/96/568679596.db2.gz GHVBJTDUAUJOJY-HXUWFJFHSA-N 0 0 429.948 4.375 40 0 IIABRN Cc1nc2cc([C@@H]3CCCN3Cc3ccncc3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257231938 568679732 /nfs/dbraw/zinc/67/97/32/568679732.db2.gz GIUDBGGNKJEOQN-DEOSSOPVSA-N 0 0 446.599 4.070 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@H]3CN(Cc4cn(C)c5ccccc45)CCO3)nc2)n1 ZINC000257233045 568680386 /nfs/dbraw/zinc/68/03/86/568680386.db2.gz GNMJZITUGZNBFD-XMMPIXPASA-N 0 0 428.540 4.297 40 0 IIABRN Cc1cc(OC[C@@]2(CC(N)=O)CCCN(C(=O)c3cccc(Cl)c3)C2)ccc1Cl ZINC000257236873 568682250 /nfs/dbraw/zinc/68/22/50/568682250.db2.gz HEDPUWCIEFAQMZ-JOCHJYFZSA-N 0 0 435.351 4.479 40 0 IIABRN COc1ccc(CC[C@H](C)Nc2cc(-c3cc(C(C)(C)C)nn3C)nc(N)n2)c(OC)c1 ZINC000257239185 568683415 /nfs/dbraw/zinc/68/34/15/568683415.db2.gz HOGOECFQWMUZPA-HNNXBMFYSA-N 0 0 438.576 4.207 40 0 IIABRN Cn1nc([C@H]2CN(Cc3ccccn3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257244364 568685823 /nfs/dbraw/zinc/68/58/23/568685823.db2.gz IKZILKNLBHFUOJ-JOCHJYFZSA-N 0 0 446.473 4.029 40 0 IIABRN CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cn1 ZINC000257245522 568686523 /nfs/dbraw/zinc/68/65/23/568686523.db2.gz IPXFNIXGMMZJID-NZQKXSOJSA-N 0 0 449.551 4.211 40 0 IIABRN Cc1cc(C)n2ncc(CN3CCO[C@@H](c4cc(Cc5ccc(F)cc5)cc(C)n4)C3)c2n1 ZINC000257246217 568686803 /nfs/dbraw/zinc/68/68/03/568686803.db2.gz ITCZGDWTRGAULR-RUZDIDTESA-N 0 0 445.542 4.353 40 0 IIABRN Cc1nccn1Cc1cccc(C(=O)N2CCN(C)[C@H](c3ccc(OC(C)C)cc3)C2)c1 ZINC000257248668 568687908 /nfs/dbraw/zinc/68/79/08/568687908.db2.gz JESBUFSHRPMLJB-VWLOTQADSA-N 0 0 432.568 4.156 40 0 IIABRN Cc1nc2ccc(NC(=O)C[C@H]3CCCN(C(=O)c4cn5cc(C)ccc5n4)C3)cc2s1 ZINC000257249176 568688097 /nfs/dbraw/zinc/68/80/97/568688097.db2.gz JHDDUAMITYNETR-QGZVFWFLSA-N 0 0 447.564 4.442 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000257253184 568689777 /nfs/dbraw/zinc/68/97/77/568689777.db2.gz JXWGUSGEDGJXRS-SFHVURJKSA-N 0 0 442.606 4.359 40 0 IIABRN Cc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)c1 ZINC000257255478 568691077 /nfs/dbraw/zinc/69/10/77/568691077.db2.gz KHQLOSRRMPPHMH-FQEVSTJZSA-N 0 0 440.507 4.178 40 0 IIABRN Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)ncn2)n[nH]1 ZINC000257256283 568691508 /nfs/dbraw/zinc/69/15/08/568691508.db2.gz KKUXPTILJFTGRY-UHFFFAOYSA-N 0 0 428.899 4.139 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)on1 ZINC000257264736 568695102 /nfs/dbraw/zinc/69/51/02/568695102.db2.gz LVVRVLBZTNWLOO-NRFANRHFSA-N 0 0 449.486 4.469 40 0 IIABRN Cn1nc([C@@H]2CN(CCc3ccccc3)CCO2)cc1CCOc1cccc(Cl)c1 ZINC000257266897 568696175 /nfs/dbraw/zinc/69/61/75/568696175.db2.gz MFBMGTJOGRQTMW-DEOSSOPVSA-N 0 0 425.960 4.311 40 0 IIABRN Cn1nc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)cc1CCOc1ccccc1Cl ZINC000257266826 568696205 /nfs/dbraw/zinc/69/62/05/568696205.db2.gz MEROYACHJGNQTO-QHCPKHFHSA-N 0 0 429.923 4.408 40 0 IIABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC2(CO[C@H](Cc3ccccc3Cl)C2)CC1 ZINC000257267537 568696487 /nfs/dbraw/zinc/69/64/87/568696487.db2.gz MHSAGCGBEJNOMW-HXUWFJFHSA-N 0 0 448.954 4.446 40 0 IIABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cn4c(cccc4C)n3)C2)o1 ZINC000257267863 568696598 /nfs/dbraw/zinc/69/65/98/568696598.db2.gz MJCGBBZEIKRDIY-LJQANCHMSA-N 0 0 430.508 4.250 40 0 IIABRN Cc1cccnc1Nc1cncc(C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)n1 ZINC000257268328 568696642 /nfs/dbraw/zinc/69/66/42/568696642.db2.gz MLEIEXRIJWTROG-QGZVFWFLSA-N 0 0 435.503 4.236 40 0 IIABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257269532 568697194 /nfs/dbraw/zinc/69/71/94/568697194.db2.gz MQJRCBHTZWURJE-GOSISDBHSA-N 0 0 443.482 4.276 40 0 IIABRN Cc1nc2ccccc2n1CCCC(=O)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000257270756 568697656 /nfs/dbraw/zinc/69/76/56/568697656.db2.gz MVNXDFWQGXNARC-HSZRJFAPSA-N 0 0 426.524 4.341 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)Cn2cccn2)CC1 ZINC000257275295 568700017 /nfs/dbraw/zinc/70/00/17/568700017.db2.gz NOSQWVOQISMWBD-IYARVYRRSA-N 0 0 438.597 4.326 40 0 IIABRN CCc1nnc(Nc2cccc([C@H]3CN(C(=O)c4cc5c(cccc5C)[nH]4)CCO3)n2)s1 ZINC000257279355 568702004 /nfs/dbraw/zinc/70/20/04/568702004.db2.gz OGFROPOMUCILTH-LJQANCHMSA-N 0 0 448.552 4.243 40 0 IIABRN Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)N4CCCC4)c(C)n3)C2)cc1 ZINC000257281739 568702700 /nfs/dbraw/zinc/70/27/00/568702700.db2.gz OQTPJEODXGJUBW-WMZHIEFXSA-N 0 0 448.611 4.076 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)CC(C)C)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257288697 568706280 /nfs/dbraw/zinc/70/62/80/568706280.db2.gz PVFGNXQILJKZFY-SFHVURJKSA-N 0 0 426.536 4.166 40 0 IIABRN O=C(N1CCOC[C@H](Cc2cccc3cccnc32)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000257291921 568707545 /nfs/dbraw/zinc/70/75/45/568707545.db2.gz QJFXGKQHTPBLFI-HXUWFJFHSA-N 0 0 448.538 4.140 40 0 IIABRN O=C(CN1CCCCCC1=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257296513 568709846 /nfs/dbraw/zinc/70/98/46/568709846.db2.gz RDECLPLQMRWASR-HXUWFJFHSA-N 0 0 429.948 4.375 40 0 IIABRN C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N3CCC(CO)CC3)ccc2O1 ZINC000257296615 568709879 /nfs/dbraw/zinc/70/98/79/568709879.db2.gz RDOMCDBJTOBNQY-DEOSSOPVSA-N 0 0 431.935 4.189 40 0 IIABRN Cc1nc2sccn2c1CN1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257298686 568710730 /nfs/dbraw/zinc/71/07/30/568710730.db2.gz RMWRWFHHYFOAPX-KRWDZBQOSA-N 0 0 440.617 4.212 40 0 IIABRN Cc1cccc(NC(=O)CN2CCC(c3cc(Nc4ccc(F)cn4)nc(C)n3)CC2)c1C ZINC000257299267 568710765 /nfs/dbraw/zinc/71/07/65/568710765.db2.gz RPJDCNDJUUUZDT-UHFFFAOYSA-N 0 0 448.546 4.498 40 0 IIABRN CN(CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccccn1 ZINC000257301083 568711784 /nfs/dbraw/zinc/71/17/84/568711784.db2.gz RWXVTAHRDUKLGI-IBGZPJMESA-N 0 0 438.959 4.152 40 0 IIABRN CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000257301830 568712125 /nfs/dbraw/zinc/71/21/25/568712125.db2.gz SACPUUQJTDFBJQ-OAQYLSRUSA-N 0 0 431.580 4.392 40 0 IIABRN CC(C)(C)C(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)CC3CCCC3)o2)CC1 ZINC000257302709 568712542 /nfs/dbraw/zinc/71/25/42/568712542.db2.gz SDYYJPWCMINSQP-IBGZPJMESA-N 0 0 430.593 4.456 40 0 IIABRN Cc1ccc(Cc2cc(C)nc([C@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)c2)cc1 ZINC000257303910 568713000 /nfs/dbraw/zinc/71/30/00/568713000.db2.gz SJGSSAJZPLUBIK-RUZDIDTESA-N 0 0 440.547 4.459 40 0 IIABRN Cc1cnccc1-c1cn(C)nc1-c1ccc(CNC(=O)c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000257304951 568713464 /nfs/dbraw/zinc/71/34/64/568713464.db2.gz SNVRKUJDINAVOY-UHFFFAOYSA-N 0 0 440.429 4.129 40 0 IIABRN Cc1nc2cc([C@H]3CCCN3Cc3ccccc3F)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257311513 568716036 /nfs/dbraw/zinc/71/60/36/568716036.db2.gz UJVPRXCXICCIRF-XMMPIXPASA-N 0 0 449.574 4.281 40 0 IIABRN COc1cccc(C)c1NC(=O)CN1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257311911 568716324 /nfs/dbraw/zinc/71/63/24/568716324.db2.gz ULNSLQIERLTIBB-UHFFFAOYSA-N 0 0 431.540 4.355 40 0 IIABRN Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257316743 568718450 /nfs/dbraw/zinc/71/84/50/568718450.db2.gz VGUPMSGNXBURET-IBGZPJMESA-N 0 0 432.499 4.043 40 0 IIABRN CCn1cc(-c2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(F)c5)o4)C3)on2)cn1 ZINC000257320655 568720225 /nfs/dbraw/zinc/72/02/25/568720225.db2.gz VXTRHMPHCQCARF-QGZVFWFLSA-N 0 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ZINC000306134452 568768504 /nfs/dbraw/zinc/76/85/04/568768504.db2.gz NOAVCXIYORWIIN-FQEVSTJZSA-N 0 0 427.508 4.128 40 0 IIABRN CN(Cc1ccccn1)C(=O)c1c2ccccc2c2n1CCCN(Cc1ccccc1)C2=O ZINC000306134726 568768632 /nfs/dbraw/zinc/76/86/32/568768632.db2.gz NWCNYYOCRZSVBQ-UHFFFAOYSA-N 0 0 438.531 4.355 40 0 IIABRN O=C(NCc1ccccc1)c1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n2ccccc12 ZINC000306141810 568772421 /nfs/dbraw/zinc/77/24/21/568772421.db2.gz WGWLEKGVVLFFHS-JOCHJYFZSA-N 0 0 438.531 4.284 40 0 IIABRN CC1=Nc2ncnn2[C@@H](c2cccc(Br)c2)C1C(=O)OCCc1ccccc1 ZINC000000938903 568787650 /nfs/dbraw/zinc/78/76/50/568787650.db2.gz DADVXHVBDCADHV-IBGZPJMESA-N 0 0 439.313 4.115 40 0 IIABRN Fc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)c(Br)c1 ZINC000328964592 568807829 /nfs/dbraw/zinc/80/78/29/568807829.db2.gz BWOITPWTYMMJGX-UHFFFAOYSA-N 0 0 428.309 4.382 40 0 IIABRN Fc1cc(Br)ccc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000328969953 568808017 /nfs/dbraw/zinc/80/80/17/568808017.db2.gz DHELITDGUDEHCQ-UHFFFAOYSA-N 0 0 428.309 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4.297 40 0 IIABRN C/C=C(\C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@H]1OC(=O)/C(C)=C\C ZINC000027439764 568905349 /nfs/dbraw/zinc/90/53/49/568905349.db2.gz PNTWXEIQXBRCPS-QVUOVPSASA-N 0 0 426.465 4.393 40 0 IIABRN CC(=O)O[C@@H]1N(C(C)=O)[C@H](SC23CC4CC(CC(C4)C2)C3)C(C)=C[C@@]1(C)OC(C)=O ZINC000005432787 569155563 /nfs/dbraw/zinc/15/55/63/569155563.db2.gz BECSDSMCMZTCPM-NRPVUUAGSA-N 0 0 435.586 4.034 40 0 IIABRN COc1ccc(Cc2nn(CC(=O)Nc3cccc(C)c3)c(=S)n2-n2cccc2)cc1 ZINC000016807189 569162280 /nfs/dbraw/zinc/16/22/80/569162280.db2.gz DRRZTDKUZYGLMZ-UHFFFAOYSA-N 0 0 433.537 4.074 40 0 IIABRN COc1ccc(CCCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1C ZINC000006471519 569218553 /nfs/dbraw/zinc/21/85/53/569218553.db2.gz FNKGQTIMVDHGBY-VQIMIIECSA-N 0 0 430.618 4.094 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008846993 569219311 /nfs/dbraw/zinc/21/93/11/569219311.db2.gz WSYPWCKXBDZLFI-HXUWFJFHSA-N 0 0 444.487 4.009 40 0 IIABRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000010128505 569221596 /nfs/dbraw/zinc/22/15/96/569221596.db2.gz MGEDYFKECMGTCD-VGSWGCGISA-N 0 0 442.968 4.107 40 0 IIABRN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000010128576 569221622 /nfs/dbraw/zinc/22/16/22/569221622.db2.gz ZXCREYFHRMNHRK-JOCHJYFZSA-N 0 0 442.968 4.485 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000010315268 569222700 /nfs/dbraw/zinc/22/27/00/569222700.db2.gz GOBBSTMXTYAJPA-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN Cc1ccc(N(CCCC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1C ZINC000010324877 569223055 /nfs/dbraw/zinc/22/30/55/569223055.db2.gz BIVCRDMDZFNICF-UHFFFAOYSA-N 0 0 448.654 4.208 40 0 IIABRN Cc1ccc(SCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000010338174 569223479 /nfs/dbraw/zinc/22/34/79/569223479.db2.gz MHVILYMSOJJJRV-UHFFFAOYSA-N 0 0 434.627 4.067 40 0 IIABRN Cc1ccc(N(CCCC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1C ZINC000010337941 569223525 /nfs/dbraw/zinc/22/35/25/569223525.db2.gz PQOWZAAZWOFOAB-UHFFFAOYSA-N 0 0 443.396 4.473 40 0 IIABRN COc1ccc(C)cc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010338421 569223537 /nfs/dbraw/zinc/22/35/37/569223537.db2.gz ARPGDAVYTFHZJB-UHFFFAOYSA-N 0 0 442.512 4.361 40 0 IIABRN Cc1ccc(C)c(N([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 ZINC000010338992 569223598 /nfs/dbraw/zinc/22/35/98/569223598.db2.gz LIAMPTIROKKDHI-HXUWFJFHSA-N 0 0 436.577 4.364 40 0 IIABRN Cc1cc(C(=O)NCCSCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010360370 569223720 /nfs/dbraw/zinc/22/37/20/569223720.db2.gz GFVWTGGSSAXWSX-UHFFFAOYSA-N 0 0 440.590 4.459 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1Cl ZINC000010365759 569223857 /nfs/dbraw/zinc/22/38/57/569223857.db2.gz PJDCJGXHLCLLRR-UHFFFAOYSA-N 0 0 445.368 4.495 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000010364968 569223901 /nfs/dbraw/zinc/22/39/01/569223901.db2.gz MOOWFZHXMQLIJU-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2c(F)cccc2F)cc1 ZINC000010370547 569224133 /nfs/dbraw/zinc/22/41/33/569224133.db2.gz XHGFCFYHDPBNDL-UHFFFAOYSA-N 0 0 434.439 4.322 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000010433932 569224178 /nfs/dbraw/zinc/22/41/78/569224178.db2.gz BEKPOFKTMWIIIY-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000015397997 569225376 /nfs/dbraw/zinc/22/53/76/569225376.db2.gz WPDWFIVZRGKPOY-UHFFFAOYSA-N 0 0 442.556 4.106 40 0 IIABRN COc1ccc(-c2ccc(C[C@]3(C(=O)N(C)C)CCCN(C(=O)[C@H]4C[C@@H]4C)C3)cc2)cc1 ZINC000019462960 569226582 /nfs/dbraw/zinc/22/65/82/569226582.db2.gz YTKQZZDKCXULSZ-KKCLFWLVSA-N 0 0 434.580 4.258 40 0 IIABRN CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c(C)n1 ZINC000019691250 569227659 /nfs/dbraw/zinc/22/76/59/569227659.db2.gz JOVOTPIYZAJFCY-NRFANRHFSA-N 0 0 428.533 4.247 40 0 IIABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)CC2)n1 ZINC000019691147 569227676 /nfs/dbraw/zinc/22/76/76/569227676.db2.gz HFDVDWLEZQGXOT-UHFFFAOYSA-N 0 0 442.494 4.452 40 0 IIABRN COc1cccc(-c2nccnc2[C@@H]2CN(C(=O)c3ccc4nc(C)sc4c3)CCO2)c1 ZINC000019693440 569228811 /nfs/dbraw/zinc/22/88/11/569228811.db2.gz RUUMASXIGJVEGT-FQEVSTJZSA-N 0 0 446.532 4.284 40 0 IIABRN COc1cccc(-c2nccnc2[C@H]2CN(C(=O)c3ccc4nc(C)sc4c3)CCO2)c1 ZINC000019693441 569228818 /nfs/dbraw/zinc/22/88/18/569228818.db2.gz RUUMASXIGJVEGT-HXUWFJFHSA-N 0 0 446.532 4.284 40 0 IIABRN CCn1cc(CN2CCO[C@H](c3ccc(-c4ccc(N)nc4)cn3)C2)c2ccc(F)cc21 ZINC000019693549 569228945 /nfs/dbraw/zinc/22/89/45/569228945.db2.gz MFRJGVSAZYGAAP-DEOSSOPVSA-N 0 0 431.515 4.413 40 0 IIABRN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cn(C)c3ccccc23)CCO1 ZINC000019703333 569233032 /nfs/dbraw/zinc/23/30/32/569233032.db2.gz PJJZNKFVQZEGAG-FQEVSTJZSA-N 0 0 434.565 4.063 40 0 IIABRN CCc1nc(NC(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)sc1C ZINC000019703590 569233122 /nfs/dbraw/zinc/23/31/22/569233122.db2.gz OVQVRIYXLDZSRE-HSZRJFAPSA-N 0 0 438.553 4.089 40 0 IIABRN Cc1ncsc1C(=O)N1CC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019705023 569233737 /nfs/dbraw/zinc/23/37/37/569233737.db2.gz LPQMOBYDFAVJNL-HNNXBMFYSA-N 0 0 436.516 4.104 40 0 IIABRN Cc1ncsc1C(=O)N1CCC[C@](O)(c2nc(C)c(COc3ccccc3)s2)CC1 ZINC000019705342 569234118 /nfs/dbraw/zinc/23/41/18/569234118.db2.gz KWKJDAXMXSMDLR-JOCHJYFZSA-N 0 0 443.594 4.309 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763018 569237911 /nfs/dbraw/zinc/23/79/11/569237911.db2.gz WFYJJQXKGLCHPV-GOSISDBHSA-N 0 0 449.530 4.051 40 0 IIABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2F)c(C)n1 ZINC000019764788 569238509 /nfs/dbraw/zinc/23/85/09/569238509.db2.gz VLBSXTVIWITQTC-SFHVURJKSA-N 0 0 439.516 4.309 40 0 IIABRN COc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)c1 ZINC000020241867 569241285 /nfs/dbraw/zinc/24/12/85/569241285.db2.gz GJUHNMORXNJNMQ-UHFFFAOYSA-N 0 0 431.536 4.278 40 0 IIABRN CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)N1CCOCC1 ZINC000026117674 569242491 /nfs/dbraw/zinc/24/24/91/569242491.db2.gz PJPXQMZZEMVXQF-UHFFFAOYSA-N 0 0 448.610 4.114 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1cc(Cl)ccc1Cl ZINC000030953180 569243476 /nfs/dbraw/zinc/24/34/76/569243476.db2.gz SASZXKRTDVZNKR-NSHDSACASA-N 0 0 441.698 4.182 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)o1 ZINC000033633355 569245177 /nfs/dbraw/zinc/24/51/77/569245177.db2.gz JTVPTQJBIYMINK-BKUYFWCQSA-N 0 0 446.459 4.047 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OCc4cccc(C)c4)c3)C2=O)o1 ZINC000033787209 569246820 /nfs/dbraw/zinc/24/68/20/569246820.db2.gz ODWMBMBLHALHCE-BKUYFWCQSA-N 0 0 446.459 4.047 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1OC ZINC000034795393 569247667 /nfs/dbraw/zinc/24/76/67/569247667.db2.gz RYFIMKFEEADZGC-UHFFFAOYSA-N 0 0 433.961 4.474 40 0 IIABRN O=C(Nc1cccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)c1)c1cccnc1 ZINC000043811252 569249343 /nfs/dbraw/zinc/24/93/43/569249343.db2.gz KMNIAOKOBUVQPT-UHFFFAOYSA-N 0 0 437.459 4.234 40 0 IIABRN COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000058058859 569249559 /nfs/dbraw/zinc/24/95/59/569249559.db2.gz TZLCOAOJFOGMEI-UHFFFAOYSA-N 0 0 446.912 4.167 40 0 IIABRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O ZINC000096590670 569250127 /nfs/dbraw/zinc/25/01/27/569250127.db2.gz KGFDHSOJFCPYMI-GFCCVEGCSA-N 0 0 437.721 4.411 40 0 IIABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccs1 ZINC000106118687 569250256 /nfs/dbraw/zinc/25/02/56/569250256.db2.gz SYLMPWJKZWVSDF-UHFFFAOYSA-N 0 0 441.921 4.329 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)c(C)c2)cc1 ZINC000108194276 569252680 /nfs/dbraw/zinc/25/26/80/569252680.db2.gz JMQQYVUUAKAYOZ-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000109026560 569253426 /nfs/dbraw/zinc/25/34/26/569253426.db2.gz JVAORFAPAXTCQO-KRWDZBQOSA-N 0 0 431.558 4.071 40 0 IIABRN CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)N(C)C1=S ZINC000111671942 569253655 /nfs/dbraw/zinc/25/36/55/569253655.db2.gz WQSZBLODHHNDCE-GRSHGNNSSA-N 0 0 440.366 4.482 40 0 IIABRN CNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000137971905 569253849 /nfs/dbraw/zinc/25/38/49/569253849.db2.gz BJZCAFODAWTAGD-UHFFFAOYSA-N 0 0 428.941 4.404 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000138517294 569253938 /nfs/dbraw/zinc/25/39/38/569253938.db2.gz OBTKBJMGRRBCHD-QGPMSJSTSA-N 0 0 428.891 4.458 40 0 IIABRN CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cc(Cl)ccc1OC ZINC000139047070 569254474 /nfs/dbraw/zinc/25/44/74/569254474.db2.gz FLTAYFWSHRIQIB-UHFFFAOYSA-N 0 0 432.904 4.202 40 0 IIABRN Cc1cc(C)cc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000164440324 569255187 /nfs/dbraw/zinc/25/51/87/569255187.db2.gz DZIKNLWHTMXTCF-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000205705435 569255631 /nfs/dbraw/zinc/25/56/31/569255631.db2.gz QBAHFRLZRWGHOI-YBFXNURJSA-N 0 0 429.469 4.393 40 0 IIABRN COc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018045348 569284283 /nfs/dbraw/zinc/28/42/83/569284283.db2.gz JQUZKCPXNCFLNV-HJOGWXRNSA-N 0 0 444.487 4.063 40 0 IIABRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 ZINC000027641893 569286169 /nfs/dbraw/zinc/28/61/69/569286169.db2.gz GGXICVAJURFBLW-CFPCARGSSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000009012674 569293042 /nfs/dbraw/zinc/29/30/42/569293042.db2.gz FGLYMLHCRSZOMT-LUKWVAJMSA-N 0 0 440.524 4.455 40 0 IIABRN Cc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000009501823 569296929 /nfs/dbraw/zinc/29/69/29/569296929.db2.gz QPMYMXRRLHYHTG-CIAFKFPVSA-N 0 0 439.519 4.188 40 0 IIABRN O=C(Nc1ccc(Br)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000013382112 569315182 /nfs/dbraw/zinc/31/51/82/569315182.db2.gz WZTDVYLUJJBAFN-FTUNRGFVSA-N 0 0 437.293 4.013 40 0 IIABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CCC)[C@@H]2c1ccco1 ZINC000261365989 569315972 /nfs/dbraw/zinc/31/59/72/569315972.db2.gz WUEBTDQOAAWHJX-NRFANRHFSA-O 0 0 425.534 4.316 40 0 IIABRN COc1ccc(S[C@@H]2CCO[C@@H](CCNC(=O)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000019703383 569327377 /nfs/dbraw/zinc/32/73/77/569327377.db2.gz NNLOTRCOHFKBDQ-PZJWPPBQSA-N 0 0 445.581 4.101 40 0 IIABRN O=C(Cc1c[nH]c2ccccc12)N1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713879 569327784 /nfs/dbraw/zinc/32/77/84/569327784.db2.gz HPKBCTSNVJNHQJ-FGCOXFRFSA-N 0 0 433.527 4.121 40 0 IIABRN C[C@@]12CCN(C(=O)c3ccc4c(c3)OCCO4)[C@@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713766 569327798 /nfs/dbraw/zinc/32/77/98/569327798.db2.gz OEPXWNLNYVBOQZ-ZEQKJWHPSA-N 0 0 434.536 4.034 40 0 IIABRN CC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc21 ZINC000019762407 569328880 /nfs/dbraw/zinc/32/88/80/569328880.db2.gz PZFKZSAHXJFTTH-XMMPIXPASA-N 0 0 449.526 4.045 40 0 IIABRN COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(C(=O)NCc2ccccc2)c(C)n1 ZINC000019764459 569329008 /nfs/dbraw/zinc/32/90/08/569329008.db2.gz UXUQWQJXJAWVHD-QFIPXVFZSA-N 0 0 444.535 4.091 40 0 IIABRN COc1cccc(-c2nc3ccc(Br)cn3c2C[NH+]2CCC(C(=O)[O-])CC2)c1 ZINC000002528862 569407787 /nfs/dbraw/zinc/40/77/87/569407787.db2.gz UTTZMOOMDDUZID-UHFFFAOYSA-N 0 0 444.329 4.069 40 0 IIABRN Cc1cc(COc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)on1 ZINC000028616766 569414761 /nfs/dbraw/zinc/41/47/61/569414761.db2.gz OMVSJJHIQYWUCQ-UHFFFAOYSA-N 0 0 428.539 4.127 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2cccnc2)n1 ZINC000329055428 569583444 /nfs/dbraw/zinc/58/34/44/569583444.db2.gz VNYZAIMLYGRWPY-SFHVURJKSA-N 0 0 446.324 4.613 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000328968473 569583451 /nfs/dbraw/zinc/58/34/51/569583451.db2.gz DAAQESPRJDNURZ-KRWDZBQOSA-N 0 0 435.425 4.869 40 0 IIABRN C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@H]1OC(=O)/C(C)=C\C ZINC000013119573 291377333 /nfs/dbraw/zinc/37/73/33/291377333.db2.gz PNTWXEIQXBRCPS-UWOGZXHISA-N 0 0 426.465 4.393 40 0 biogenic,in-vitro IIABRN CC(C)(C)c1ccnc(N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc5ccccc54)CO[C@H]23)n1 ZINC000005434019 291378771 /nfs/dbraw/zinc/37/87/71/291378771.db2.gz ZMPBAPSEALZLBJ-YVNJGZBMSA-N 0 0 448.523 4.123 40 0 biogenic,in-vitro IIABRN COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)Nc4ccc(C)cc4)C2)C3)cc1 ZINC000004237370 291383230 /nfs/dbraw/zinc/38/32/30/291383230.db2.gz SFCSVRJSXOUSMI-AZUAARDMSA-N 0 0 429.520 4.484 40 0 biogenic,in-vitro IIABRN COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)Nc4ccccc4OC)C2)C3)cc1 ZINC000004237372 291383233 /nfs/dbraw/zinc/38/32/33/291383233.db2.gz ZVPQHMKRFYAGTJ-PKOBYXMFSA-N 0 0 445.519 4.184 40 0 biogenic,in-vitro IIABRN COc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2C)c1=O ZINC000008297465 291384040 /nfs/dbraw/zinc/38/40/40/291384040.db2.gz KOYMXAJNABVCCI-RBUKOAKNSA-N 0 0 429.520 4.484 40 0 biogenic,in-vitro IIABRN CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)COc4ccccc4)C2)C3)cc1 ZINC000004237468 291384069 /nfs/dbraw/zinc/38/40/69/291384069.db2.gz DKAQFPDUBLAZFI-AZUAARDMSA-N 0 0 446.572 4.262 40 0 biogenic,in-vitro IIABRN C[C@H](C(=O)NC(C)(C)C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883734 291384433 /nfs/dbraw/zinc/38/44/33/291384433.db2.gz SBOAWQIEPWARTC-QPRMGQFXSA-N 0 0 446.607 4.298 40 0 biogenic,in-vitro IIABRN COc1ccc(C(=O)CN(C2=NCCS2)c2ccc(Br)cc2)cc1OC ZINC000006297442 193897338 /nfs/dbraw/zinc/89/73/38/193897338.db2.gz NVGVYUJRVRBQFY-UHFFFAOYSA-N 0 0 435.343 4.258 40 0 IIABRN NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000408609301 193976882 /nfs/dbraw/zinc/97/68/82/193976882.db2.gz SLSKOFFZAZHREB-UHFFFAOYSA-N 0 0 430.913 4.351 40 0 IIABRN CCc1cccc(C)c1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000408609254 193976942 /nfs/dbraw/zinc/97/69/42/193976942.db2.gz MPJSBCOXMHEOQU-UHFFFAOYSA-N 0 0 429.369 4.265 40 0 IIABRN COc1ccc2nc3sc(C(=O)N4CCN(c5ccccc5OC)CC4)c(N)c3cc2c1 ZINC000013503430 132347187 /nfs/dbraw/zinc/34/71/87/132347187.db2.gz XAQWGEPSTXEGIX-UHFFFAOYSA-N 0 0 448.548 4.011 40 0 IIABRN Fc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2F)CC1 ZINC000013503815 132347275 /nfs/dbraw/zinc/34/72/75/132347275.db2.gz LNTWRHOKXVJHON-QHCPKHFHSA-N 0 0 438.526 4.368 40 0 IIABRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000013503881 132347419 /nfs/dbraw/zinc/34/74/19/132347419.db2.gz CDLPEBOJCZODLJ-VWLOTQADSA-N 0 0 446.599 4.325 40 0 IIABRN Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3ccccc3)CC2)c1C ZINC000013504572 132348110 /nfs/dbraw/zinc/34/81/10/132348110.db2.gz QMZAVIIGSMXVAQ-SANMLTNESA-N 0 0 438.579 4.250 40 0 IIABRN CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000013505216 132348701 /nfs/dbraw/zinc/34/87/01/132348701.db2.gz CQLHUOAGFAJAGJ-IBGZPJMESA-N 0 0 431.009 4.408 40 0 IIABRN CC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013505425 132348913 /nfs/dbraw/zinc/34/89/13/132348913.db2.gz IPKUHBRGIFTLQF-NRFANRHFSA-N 0 0 444.505 4.208 40 0 IIABRN Cc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013505254 132348919 /nfs/dbraw/zinc/34/89/19/132348919.db2.gz HVTWPQNPFHPNRE-HSZRJFAPSA-N 0 0 448.571 4.142 40 0 IIABRN COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)cc1OC ZINC000013567576 132350480 /nfs/dbraw/zinc/35/04/80/132350480.db2.gz NHQWBVOHMBFWLO-OAHLLOKOSA-N 0 0 443.883 4.006 40 0 IIABRN CC(=O)c1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000035289640 518420824 /nfs/dbraw/zinc/42/08/24/518420824.db2.gz PAXOYQBXHUMGLH-JOCHJYFZSA-N 0 0 448.548 4.188 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012872083 518746526 /nfs/dbraw/zinc/74/65/26/518746526.db2.gz PUMXHNKAMLTLTE-LJQANCHMSA-N 0 0 444.507 4.115 40 0 IIABRN CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(Cl)c1)C(=O)C(C)(C)O2 ZINC000012875134 518751782 /nfs/dbraw/zinc/75/17/82/518751782.db2.gz CVJDRLRSKXTFES-UHFFFAOYSA-N 0 0 443.931 4.011 40 0 IIABRN CC(C)(C)OC(=O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022053663 518795017 /nfs/dbraw/zinc/79/50/17/518795017.db2.gz CRBIKYGPQWQMAG-DEOSSOPVSA-N 0 0 445.003 4.405 40 0 in-vitro IIABRN CC(C)(C)c1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022374100 519033944 /nfs/dbraw/zinc/03/39/44/519033944.db2.gz BDOWTVWMILVGIF-UHFFFAOYSA-N 0 0 437.005 4.153 40 0 IIABRN CC(C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000016575659 519778251 /nfs/dbraw/zinc/77/82/51/519778251.db2.gz DOHLEZCWHAAKBB-YVLHZVERSA-N 0 0 433.277 4.468 40 0 IIABRN CCCNC(=O)Cn1c2c(-c3cccc(F)c3)sc(=S)n2c2ccccc2c1=O ZINC000021353595 519882390 /nfs/dbraw/zinc/88/23/90/519882390.db2.gz WBWRJJVIZYOTBI-UHFFFAOYSA-N 0 0 427.526 4.377 40 0 IIABRN CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022536308 520348189 /nfs/dbraw/zinc/34/81/89/520348189.db2.gz ANZBXHHKRSZINV-GFCCVEGCSA-N 0 0 433.332 4.021 40 0 IIABRN CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2F)=N[C@@H]1c1ccccc1 ZINC000020413163 520480019 /nfs/dbraw/zinc/48/00/19/520480019.db2.gz QVVCDXYMLHYRFV-HXUWFJFHSA-N 0 0 430.476 4.418 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)ccc1OC ZINC000022537907 520780558 /nfs/dbraw/zinc/78/05/58/520780558.db2.gz NUECVIQWBUZVHJ-GOSISDBHSA-N 0 0 432.586 4.142 40 0 IIABRN CC1CCN(c2nc3nccc(-c4ccc(OC(=O)c5ccccc5)cc4)c3c(=O)[nH]2)CC1 ZINC000022606946 521048603 /nfs/dbraw/zinc/04/86/03/521048603.db2.gz ZMGMVGLSDNRMAU-UHFFFAOYSA-N 0 0 440.503 4.441 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000020802622 521091185 /nfs/dbraw/zinc/09/11/85/521091185.db2.gz KGIWWJBKNOGUMJ-FCHUYYIVSA-N 0 0 435.524 4.206 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000020802811 521278914 /nfs/dbraw/zinc/27/89/14/521278914.db2.gz BZGOGUUNBRCPFP-YADHBBJMSA-N 0 0 435.524 4.206 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 ZINC000012870561 521336078 /nfs/dbraw/zinc/33/60/78/521336078.db2.gz JDLDUEUMVVYUMI-QGZVFWFLSA-N 0 0 432.933 4.477 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1cc(C)ccc1C ZINC000012869244 521336802 /nfs/dbraw/zinc/33/68/02/521336802.db2.gz QLRXCFXXTICESD-HXUWFJFHSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(C)cc1C ZINC000012868980 521338402 /nfs/dbraw/zinc/33/84/02/521338402.db2.gz HNKBZLSLAYQRTF-HXUWFJFHSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(C)cc1C ZINC000012868972 521345775 /nfs/dbraw/zinc/34/57/75/521345775.db2.gz HNKBZLSLAYQRTF-FQEVSTJZSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)c1csnn1)c1ccc(C)c(C)c1 ZINC000012869331 521345783 /nfs/dbraw/zinc/34/57/83/521345783.db2.gz FWWLFVIWUUIBOT-IBGZPJMESA-N 0 0 426.542 4.441 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)c1csnn1 ZINC000012872189 521346416 /nfs/dbraw/zinc/34/64/16/521346416.db2.gz FWLGTZQXNTZLDA-SFHVURJKSA-N 0 0 446.960 4.473 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1Cl ZINC000012870868 521346517 /nfs/dbraw/zinc/34/65/17/521346517.db2.gz OIVFBJNEBNGYMQ-SFHVURJKSA-N 0 0 443.960 4.279 40 0 IIABRN CCOc1ccccc1-n1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccncc1 ZINC000005949614 521445728 /nfs/dbraw/zinc/44/57/28/521445728.db2.gz GTMQXQLXIFWAQB-QGZVFWFLSA-N 0 0 437.569 4.221 40 0 IIABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O ZINC000022252259 521479013 /nfs/dbraw/zinc/47/90/13/521479013.db2.gz WHTRZVDMKKWETM-UHFFFAOYSA-N 0 0 434.558 4.174 40 0 IIABRN CCOc1ccccc1NC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCO4 ZINC000012470420 521533110 /nfs/dbraw/zinc/53/31/10/521533110.db2.gz OJJPJOJMYIVSLJ-UHFFFAOYSA-N 0 0 436.493 4.049 40 0 IIABRN CCOc1ccccc1NC(=S)NCc1nc(-c2cccc(Br)c2)no1 ZINC000225825228 521551402 /nfs/dbraw/zinc/55/14/02/521551402.db2.gz KHPATSUMNSBVNH-UHFFFAOYSA-N 0 0 433.331 4.384 40 0 IIABRN COCCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000012706732 522068679 /nfs/dbraw/zinc/06/86/79/522068679.db2.gz WFPNPTMNKKBWRB-UHFFFAOYSA-N 0 0 446.960 4.196 40 0 IIABRN CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)n1 ZINC000012222402 522339429 /nfs/dbraw/zinc/33/94/29/522339429.db2.gz YIUUBGQXUNYKQB-UHFFFAOYSA-N 0 0 441.510 4.270 40 0 IIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1)c1ccc(C)cc1 ZINC000044905018 522682649 /nfs/dbraw/zinc/68/26/49/522682649.db2.gz VHVJHRCZUAJYBF-QFIPXVFZSA-N 0 0 444.597 4.305 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022334743 522684487 /nfs/dbraw/zinc/68/44/87/522684487.db2.gz ICODCDWXABISEY-LJQANCHMSA-N 0 0 442.503 4.356 40 0 IIABRN CCc1nn2c(nnc3c2ccn(-c2ccc4c(c2)OCO4)c3=O)c1-c1cccc(Cl)c1 ZINC000022610700 522714423 /nfs/dbraw/zinc/71/44/23/522714423.db2.gz KSUABTMGARIQAO-UHFFFAOYSA-N 0 0 445.866 4.040 40 0 IIABRN COc1cc([C@H]2C[C@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000020518122 522962868 /nfs/dbraw/zinc/96/28/68/522962868.db2.gz LCDPJXWAINCJQE-MZNJEOGPSA-N 0 0 427.497 4.168 40 0 IIABRN COc1cc([C@H]2Cc3c(cnn3-c3nc4ccccc4s3)C(=O)C2)cc(OC)c1OC ZINC000020671847 522963476 /nfs/dbraw/zinc/96/34/76/522963476.db2.gz QTCXVWOPOKJNCW-ZDUSSCGKSA-N 0 0 435.505 4.421 40 0 IIABRN CN(Cc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000020460391 523226876 /nfs/dbraw/zinc/22/68/76/523226876.db2.gz CVPDGAIPQZLFAS-UHFFFAOYSA-N 0 0 427.353 4.050 40 0 IIABRN COc1ccc(-c2nccc3ccn(CC(=O)NCc4cc(C(C)C)no4)c32)cc1OC ZINC000012232230 523238699 /nfs/dbraw/zinc/23/86/99/523238699.db2.gz RYDWOHIURPNUKR-UHFFFAOYSA-N 0 0 434.496 4.148 40 0 IIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000012116413 523285281 /nfs/dbraw/zinc/28/52/81/523285281.db2.gz FYLXGPPLPSHIFE-QGZVFWFLSA-N 0 0 436.556 4.167 40 0 IIABRN CCn1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c(=O)c2cc(OC)ccc21 ZINC000022236051 523344229 /nfs/dbraw/zinc/34/42/29/523344229.db2.gz XLFPTGKBOJSFDR-CYBMUJFWSA-N 0 0 429.314 4.284 40 0 IIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccnc(OC)c4)C3)cc2N1 ZINC000012183581 523565401 /nfs/dbraw/zinc/56/54/01/523565401.db2.gz GQNIFRWVLKTBND-BFYDXBDKSA-N 0 0 437.466 4.004 40 0 IIABRN CCc1c(C)noc1-c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cnc(C)cn1 ZINC000012156385 523716770 /nfs/dbraw/zinc/71/67/70/523716770.db2.gz CDRFTIZPWPUXHA-UHFFFAOYSA-N 0 0 430.468 4.109 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@@H](C)n3nc(C)cc3C)cc2n1 ZINC000012230611 523781469 /nfs/dbraw/zinc/78/14/69/523781469.db2.gz RZKGCUVNRBZJBD-CRAIPNDOSA-N 0 0 448.493 4.439 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000022229842 523796323 /nfs/dbraw/zinc/79/63/23/523796323.db2.gz OQKPYNMYKOPIEA-MRXNPFEDSA-N 0 0 443.352 4.102 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000022229832 523797794 /nfs/dbraw/zinc/79/77/94/523797794.db2.gz YISBHENSBGGOPN-INIZCTEOSA-N 0 0 443.352 4.102 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000020493329 523818093 /nfs/dbraw/zinc/81/80/93/523818093.db2.gz LOOSKODVUQXNFJ-UHFFFAOYSA-N 0 0 444.597 4.298 40 0 IIABRN COc1ccc(CCC(=O)Nc2ccc(I)cc2C)cc1OC ZINC000020460444 523926698 /nfs/dbraw/zinc/92/66/98/523926698.db2.gz XMVBEKSCLKTMRJ-UHFFFAOYSA-N 0 0 425.266 4.188 40 0 IIABRN CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2cccs2)cc1 ZINC000012637372 523956302 /nfs/dbraw/zinc/95/63/02/523956302.db2.gz HTBSDESQQUPHCW-GOSISDBHSA-N 0 0 428.583 4.465 40 0 IIABRN CN(C(=O)c1cnccn1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 ZINC000012326096 523961080 /nfs/dbraw/zinc/96/10/80/523961080.db2.gz WKNHZQIZOKZTPZ-UHFFFAOYSA-N 0 0 447.564 4.346 40 0 IIABRN CCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022383397 523971957 /nfs/dbraw/zinc/97/19/57/523971957.db2.gz RGPFEKLUDBAECK-UHFFFAOYSA-N 0 0 430.476 4.361 40 0 IIABRN CCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC ZINC000022248580 524063145 /nfs/dbraw/zinc/06/31/45/524063145.db2.gz QNHOFJXMXFOEKI-UHFFFAOYSA-N 0 0 438.977 4.259 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 ZINC000020462437 524203642 /nfs/dbraw/zinc/20/36/42/524203642.db2.gz FVOOEBSIRFAINB-GGAORHGYSA-N 0 0 442.625 4.155 40 0 IIABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O ZINC000009262986 524272706 /nfs/dbraw/zinc/27/27/06/524272706.db2.gz DGMUAWZBBXIFTL-DEDYPNTBSA-N 0 0 447.516 4.475 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccncc1 ZINC000035312739 524299507 /nfs/dbraw/zinc/29/95/07/524299507.db2.gz XPSPPPYDRNAVTR-AEFFLSMTSA-N 0 0 437.569 4.125 40 0 IIABRN Cc1cccc(CCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 ZINC000044904993 524351462 /nfs/dbraw/zinc/35/14/62/524351462.db2.gz VUDIRECZGXGBCC-UHFFFAOYSA-N 0 0 438.524 4.059 40 0 IIABRN Cc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000012469881 524421543 /nfs/dbraw/zinc/42/15/43/524421543.db2.gz KJMZYHJUAKFTLP-FDDCHVKYSA-N 0 0 439.585 4.049 40 0 IIABRN C[C@H]1CCc2c(sc3ncn4c(SCC(=O)N5[C@@H](C)CCC[C@@H]5C)nnc4c23)C1 ZINC000012833746 524436509 /nfs/dbraw/zinc/43/65/09/524436509.db2.gz FMDRDSBQXWCJOB-IHRRRGAJSA-N 0 0 429.615 4.345 40 0 IIABRN COc1ccccc1Cn1c2nnc(S[C@@H]3CCCCCC3=O)n2c2ccccc2c1=O ZINC000012523407 524520701 /nfs/dbraw/zinc/52/07/01/524520701.db2.gz WABQMAZPPXSQLL-OAQYLSRUSA-N 0 0 448.548 4.095 40 0 IIABRN COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020464500 524558810 /nfs/dbraw/zinc/55/88/10/524558810.db2.gz LPZCKAMYTALTRB-FQEVSTJZSA-N 0 0 430.468 4.108 40 0 biogenic,in-vitro IIABRN Cc1ccc(CNC(=S)Nc2nc(N3CCC(C)CC3)cc(N3CCC[C@@H](C)C3)n2)o1 ZINC000225915221 524569753 /nfs/dbraw/zinc/56/97/53/524569753.db2.gz MPBMMPHDTJRPKA-QGZVFWFLSA-N 0 0 442.633 4.337 40 0 IIABRN Cc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2csnn2)c1 ZINC000012874578 524813818 /nfs/dbraw/zinc/81/38/18/524813818.db2.gz ATWBIZGMDLUDPW-NRFANRHFSA-N 0 0 438.553 4.272 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(=O)N1CCCCCC1 ZINC000022530851 525069423 /nfs/dbraw/zinc/06/94/23/525069423.db2.gz PESCEUBQUAGLJY-SFHVURJKSA-N 0 0 430.570 4.059 40 0 IIABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 ZINC000022537610 525092982 /nfs/dbraw/zinc/09/29/82/525092982.db2.gz YEDPCKAKZBGNGT-QGZVFWFLSA-N 0 0 432.561 4.247 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022529437 525173207 /nfs/dbraw/zinc/17/32/07/525173207.db2.gz VNTHPXHHHHBBRN-HSZRJFAPSA-N 0 0 446.613 4.488 40 0 IIABRN Cc1ccccc1N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000012636501 525214175 /nfs/dbraw/zinc/21/41/75/525214175.db2.gz YKQBYMDTDUAKJW-IBGZPJMESA-N 0 0 426.517 4.288 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000022539766 525520356 /nfs/dbraw/zinc/52/03/56/525520356.db2.gz NBGKVVYYGPYZIY-HXUWFJFHSA-N 0 0 428.598 4.198 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1 ZINC000022539854 525531464 /nfs/dbraw/zinc/53/14/64/525531464.db2.gz VSGIOVLOUQPQBM-LEWJYISDSA-N 0 0 428.598 4.198 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)c(Cl)c2)cc1 ZINC000020482617 525601438 /nfs/dbraw/zinc/60/14/38/525601438.db2.gz SBJUNGAUCVJDDF-UHFFFAOYSA-N 0 0 444.896 4.430 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccc(Cl)cc3)c2)cc1 ZINC000022655809 525612320 /nfs/dbraw/zinc/61/23/20/525612320.db2.gz VMQYWQHTIHKWQL-UHFFFAOYSA-N 0 0 444.940 4.258 40 0 IIABRN Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)C(F)(F)F)c3nnnn3c2cc1C ZINC000035313892 525638110 /nfs/dbraw/zinc/63/81/10/525638110.db2.gz FSVPUFUTVJVUET-UHFFFAOYSA-N 0 0 431.393 4.125 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)c2ccc(F)cc2)o1 ZINC000012636275 525678586 /nfs/dbraw/zinc/67/85/86/525678586.db2.gz XFEBXYCQZOQWEE-FQEVSTJZSA-N 0 0 442.516 4.416 40 0 IIABRN COc1cccc(-c2csc(N3CCN(C(=S)NCCc4ccccc4)CC3)n2)c1 ZINC000012877997 525717541 /nfs/dbraw/zinc/71/75/41/525717541.db2.gz GWXNHIBABWWHKY-UHFFFAOYSA-N 0 0 438.622 4.058 40 0 IIABRN Cc1ccc([C@@H](NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020458062 525767713 /nfs/dbraw/zinc/76/77/13/525767713.db2.gz AVMTXKSMYGYOTQ-DEOSSOPVSA-N 0 0 436.577 4.284 40 0 IIABRN Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871960 525869101 /nfs/dbraw/zinc/86/91/01/525869101.db2.gz HQARQLKJFVBAET-KRWDZBQOSA-N 0 0 446.573 4.346 40 0 IIABRN Cc1ccsc1[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871954 525887807 /nfs/dbraw/zinc/88/78/07/525887807.db2.gz HQARQLKJFVBAET-QGZVFWFLSA-N 0 0 446.573 4.346 40 0 IIABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)on1 ZINC000019121214 526039742 /nfs/dbraw/zinc/03/97/42/526039742.db2.gz DZCFGYCZHYKYMI-UHFFFAOYSA-N 0 0 432.402 4.184 40 0 IIABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)COc3c(C)cccc3C)cc2)on1 ZINC000012159010 526046854 /nfs/dbraw/zinc/04/68/54/526046854.db2.gz XJDRYZGHHOWJPT-UHFFFAOYSA-N 0 0 428.492 4.419 40 0 IIABRN 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/nfs/dbraw/zinc/01/69/29/556016929.db2.gz ITELZKRLTAITIY-LBPRGKRZSA-N 0 0 437.721 4.411 40 0 IIABRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408645170 556021197 /nfs/dbraw/zinc/02/11/97/556021197.db2.gz HOWVMZJMVSZSPH-XOKHGSTOSA-N 0 0 444.940 4.063 40 0 IIABRN Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1ccc(Br)cc1C ZINC000408643833 556024179 /nfs/dbraw/zinc/02/41/79/556024179.db2.gz CHZORVRLESKPAD-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(Cl)c1C ZINC000408644775 556025089 /nfs/dbraw/zinc/02/50/89/556025089.db2.gz HJAIYMHQQOTKDV-UHFFFAOYSA-N 0 0 439.295 4.211 40 0 IIABRN C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408651736 556027712 /nfs/dbraw/zinc/02/77/12/556027712.db2.gz DRRHXIGMTIRZOM-UKRRQHHQSA-N 0 0 435.307 4.085 40 0 IIABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000408651876 556028088 /nfs/dbraw/zinc/02/80/88/556028088.db2.gz BMQIPIALJQVTNU-SFHVURJKSA-N 0 0 442.943 4.308 40 0 IIABRN CCOc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(OC)cc1 ZINC000408648716 556029579 /nfs/dbraw/zinc/02/95/79/556029579.db2.gz YPQKWNOBZRCSAC-UHFFFAOYSA-N 0 0 433.460 4.120 40 0 IIABRN Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000408653676 556032296 /nfs/dbraw/zinc/03/22/96/556032296.db2.gz FIZHHONKEPAANX-IBGZPJMESA-N 0 0 444.487 4.322 40 0 IIABRN Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3ccccc3C2=O)cc1 ZINC000408654916 556033483 /nfs/dbraw/zinc/03/34/83/556033483.db2.gz QZVVBQRLYYAHKN-UHFFFAOYSA-N 0 0 432.863 4.185 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 ZINC000408656063 556034340 /nfs/dbraw/zinc/03/43/40/556034340.db2.gz FGRLYCIMZLTROX-IPHXSNPTSA-N 0 0 448.519 4.025 40 0 IIABRN COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000408653803 556034650 /nfs/dbraw/zinc/03/46/50/556034650.db2.gz ASBKARPKHWESJK-UHFFFAOYSA-N 0 0 448.475 4.388 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)c2)c1 ZINC000408656073 556035154 /nfs/dbraw/zinc/03/51/54/556035154.db2.gz FGRLYCIMZLTROX-RVHYNSKXSA-N 0 0 448.519 4.025 40 0 IIABRN COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408661706 556042380 /nfs/dbraw/zinc/04/23/80/556042380.db2.gz BYRJHIOEIPHLIS-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000408661603 556042396 /nfs/dbraw/zinc/04/23/96/556042396.db2.gz XLEILXCHROSKJW-OAHLLOKOSA-N 0 0 432.863 4.265 40 0 IIABRN Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Br)cc1 ZINC000408662475 556043335 /nfs/dbraw/zinc/04/33/35/556043335.db2.gz DQWFIYXIKFSDOR-UHFFFAOYSA-N 0 0 447.329 4.357 40 0 IIABRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1C ZINC000408663080 556045647 /nfs/dbraw/zinc/04/56/47/556045647.db2.gz KWKFZBVXGVKZRX-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl ZINC000408663781 556047318 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430.570 4.166 40 0 IIABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 ZINC000408701633 556104734 /nfs/dbraw/zinc/10/47/34/556104734.db2.gz BIEJHBNNUNYICS-UHFFFAOYSA-N 0 0 438.574 4.437 40 0 IIABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000408703456 556108564 /nfs/dbraw/zinc/10/85/64/556108564.db2.gz RYSRHJNYCBBORD-IBGZPJMESA-N 0 0 429.520 4.267 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)cc1 ZINC000408705801 556111953 /nfs/dbraw/zinc/11/19/53/556111953.db2.gz NRCGFQGNBWTEMD-MRXNPFEDSA-N 0 0 428.485 4.341 40 0 IIABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1 ZINC000008430556 556170482 /nfs/dbraw/zinc/17/04/82/556170482.db2.gz UVCQCPULRMNMTR-FQEVSTJZSA-N 0 0 436.577 4.018 40 0 IIABRN CCN(CC)C(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccc(Br)cc1 ZINC000008722299 556203370 /nfs/dbraw/zinc/20/33/70/556203370.db2.gz DUZCRYRSUYTTMI-XMHGGMMESA-N 0 0 431.330 4.097 40 0 IIABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000008816580 556217966 /nfs/dbraw/zinc/21/79/66/556217966.db2.gz YTIJZHLXQNJYPR-UHFFFAOYSA-N 0 0 435.760 4.090 40 0 IIABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2Br)o1 ZINC000009198636 556256811 /nfs/dbraw/zinc/25/68/11/556256811.db2.gz ILGIVBBJTUKNQE-UHFFFAOYSA-N 0 0 434.315 4.450 40 0 IIABRN O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000009265264 556270782 /nfs/dbraw/zinc/27/07/82/556270782.db2.gz SXFVBSQHKPLCOU-HNNXBMFYSA-N 0 0 428.330 4.041 40 0 IIABRN CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000013688538 556278100 /nfs/dbraw/zinc/27/81/00/556278100.db2.gz OQTDOQBVBWRZQL-UHFFFAOYSA-N 0 0 436.961 4.167 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711315 556284130 /nfs/dbraw/zinc/28/41/30/556284130.db2.gz QQBYSUGCUSAKLY-QHCPKHFHSA-N 0 0 438.549 4.449 40 0 IIABRN CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712301 556284758 /nfs/dbraw/zinc/28/47/58/556284758.db2.gz DLRZJCAEGYMEBX-MRXNPFEDSA-N 0 0 431.341 4.185 40 0 IIABRN CC[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716283 556287598 /nfs/dbraw/zinc/28/75/98/556287598.db2.gz LGTPFXVJGPHPTP-IBGZPJMESA-N 0 0 443.396 4.471 40 0 IIABRN CC[C@@H](C(=O)NCCSC1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716475 556287638 /nfs/dbraw/zinc/28/76/38/556287638.db2.gz OXMRCAMKOJNBMZ-FQEVSTJZSA-N 0 0 426.648 4.030 40 0 IIABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)[C@@H](Cc1ccccc1)N1C(=O)c3ccccc3C1=O)C2 ZINC000009969869 556319179 /nfs/dbraw/zinc/31/91/79/556319179.db2.gz RWUDXDWPQKYBIC-RAKYAITLSA-N 0 0 430.548 4.321 40 0 IIABRN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c1 ZINC000010008696 556320847 /nfs/dbraw/zinc/32/08/47/556320847.db2.gz TUNKJLJAJGLUAZ-UHFFFAOYSA-N 0 0 432.611 4.022 40 0 IIABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000010110421 556325306 /nfs/dbraw/zinc/32/53/06/556325306.db2.gz XVOCBJLKYAWYTG-UHFFFAOYSA-N 0 0 440.540 4.078 40 0 IIABRN CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325685 556331183 /nfs/dbraw/zinc/33/11/83/556331183.db2.gz GBZNCFOXTUWSTR-KRWDZBQOSA-N 0 0 436.533 4.478 40 0 IIABRN CC(C)(C)SCCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010337539 556333121 /nfs/dbraw/zinc/33/31/21/556333121.db2.gz AONOCHNJJQKOFN-UHFFFAOYSA-N 0 0 438.590 4.053 40 0 IIABRN CCOc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010337692 556333178 /nfs/dbraw/zinc/33/31/78/556333178.db2.gz GLLHVSJJEXXNNN-UHFFFAOYSA-N 0 0 442.512 4.443 40 0 IIABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1OCC ZINC000214662678 556339113 /nfs/dbraw/zinc/33/91/13/556339113.db2.gz UJAQAWJPNACNDD-CPNJWEJPSA-N 0 0 426.494 4.159 40 0 IIABRN COc1ccc2[nH]c(C(=O)N3CCC[C@H](c4nc5ccccc5cc4N)C3)cc2c1OC ZINC000012088028 556400916 /nfs/dbraw/zinc/40/09/16/556400916.db2.gz BBIAYXQWNJWSKX-INIZCTEOSA-N 0 0 430.508 4.335 40 0 IIABRN COc1cc(CN2CCN(c3ccccc3[C@@H](O)c3ccccn3)CC2)ccc1OC(C)C ZINC000012089647 556402125 /nfs/dbraw/zinc/40/21/25/556402125.db2.gz BAHNLTZILRSMHV-HHHXNRCGSA-N 0 0 447.579 4.281 40 0 IIABRN COc1ccccc1N1CCN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000039761686 556436748 /nfs/dbraw/zinc/43/67/48/556436748.db2.gz OKSSHSYWYCMNGD-UHFFFAOYSA-N 0 0 445.966 4.049 40 0 IIABRN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)NC1CCCC1 ZINC000028304758 556452068 /nfs/dbraw/zinc/45/20/68/556452068.db2.gz LQZSDISZGNBFLI-UHFFFAOYSA-N 0 0 425.554 4.275 40 0 IIABRN Cc1ccc([C@@H](NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030751502 556503169 /nfs/dbraw/zinc/50/31/69/556503169.db2.gz ITRLOKAMOHQZBE-VWLOTQADSA-N 0 0 436.577 4.284 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000030758110 556505211 /nfs/dbraw/zinc/50/52/11/556505211.db2.gz UVVJYZQWFMSANY-QHCPKHFHSA-N 0 0 426.582 4.223 40 0 IIABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1Cl ZINC000030847503 556507842 /nfs/dbraw/zinc/50/78/42/556507842.db2.gz GJVDURCUUJMKAT-UHFFFAOYSA-N 0 0 433.382 4.028 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030848065 556507872 /nfs/dbraw/zinc/50/78/72/556507872.db2.gz KXFGAOKOJZTWBN-ZDUSSCGKSA-N 0 0 445.368 4.036 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2)cc1 ZINC000015176356 556508205 /nfs/dbraw/zinc/50/82/05/556508205.db2.gz YKZPSORQXRXDEI-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000030852889 556509359 /nfs/dbraw/zinc/50/93/59/556509359.db2.gz OSWRDLINUBDMMG-JOCHJYFZSA-N 0 0 444.597 4.387 40 0 IIABRN CCOc1cccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 ZINC000030856015 556510278 /nfs/dbraw/zinc/51/02/78/556510278.db2.gz KHEKRHCCGRYCJJ-UHFFFAOYSA-N 0 0 426.469 4.039 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000030862249 556511419 /nfs/dbraw/zinc/51/14/19/556511419.db2.gz JNIAYHSAYNFCOL-LJQANCHMSA-N 0 0 438.549 4.431 40 0 IIABRN CCc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000030868955 556513131 /nfs/dbraw/zinc/51/31/31/556513131.db2.gz GGXZFYYWTUMNDY-VWLOTQADSA-N 0 0 436.577 4.229 40 0 IIABRN O=C1C[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015307478 556518283 /nfs/dbraw/zinc/51/82/83/556518283.db2.gz WHBYBBACYOMMMZ-LJQANCHMSA-N 0 0 443.334 4.381 40 0 IIABRN Cn1c(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc2ccccc21 ZINC000013568313 556520923 /nfs/dbraw/zinc/52/09/23/556520923.db2.gz FIKKKDAKHATRKI-UHFFFAOYSA-N 0 0 425.945 4.036 40 0 IIABRN C(=C/c1ccccc1)\COc1ccccc1[C@@H](n1nc2ccccc2n1)N1CCOCC1 ZINC000032068210 556528433 /nfs/dbraw/zinc/52/84/33/556528433.db2.gz PIMGGIQTFBWETK-MUNMYPBESA-N 0 0 426.520 4.403 40 0 IIABRN O=C(c1ccc(F)cc1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000032101377 556529695 /nfs/dbraw/zinc/52/96/95/556529695.db2.gz LAVKFQTVDQZRKF-INIZCTEOSA-N 0 0 431.183 4.089 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000015499416 556531344 /nfs/dbraw/zinc/53/13/44/556531344.db2.gz PYWRFMILFGVCIW-UHFFFAOYSA-N 0 0 442.468 4.056 40 0 IIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2)cc1OC ZINC000032115521 556531837 /nfs/dbraw/zinc/53/18/37/556531837.db2.gz JYXKQWRDCSSMEG-UHFFFAOYSA-N 0 0 449.960 4.369 40 0 IIABRN Cc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000013612973 556535022 /nfs/dbraw/zinc/53/50/22/556535022.db2.gz YMRZJEPVVBXIST-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN COc1ccc(-c2noc(CCC(=O)Nc3cccc(Br)c3)n2)cc1OC ZINC000015576953 556535663 /nfs/dbraw/zinc/53/56/63/556535663.db2.gz QVOTYKUYOLVQST-UHFFFAOYSA-N 0 0 432.274 4.088 40 0 IIABRN COC(=O)[C@H](CC(=O)Nc1ccccc1)Nc1ccccc1OC(=O)c1ccc(F)cc1 ZINC000013637255 556541596 /nfs/dbraw/zinc/54/15/96/556541596.db2.gz GCGOPUNDIGEUMM-FQEVSTJZSA-N 0 0 436.439 4.027 40 0 IIABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000013669645 556550386 /nfs/dbraw/zinc/55/03/86/556550386.db2.gz HXVZJTUUZCJEQK-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013680340 556556436 /nfs/dbraw/zinc/55/64/36/556556436.db2.gz GDVGUMQCSBIITE-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN CCc1cc(I)ccc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000016161304 556586373 /nfs/dbraw/zinc/58/63/73/556586373.db2.gz CKVBKWWRWJEMRI-UHFFFAOYSA-N 0 0 428.270 4.120 40 0 IIABRN COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(OC)c1 ZINC000016215477 556591669 /nfs/dbraw/zinc/59/16/69/556591669.db2.gz WFRNXCNQKJPLNL-UHFFFAOYSA-N 0 0 432.505 4.322 40 0 IIABRN COc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2)cc1Br ZINC000016226665 556592829 /nfs/dbraw/zinc/59/28/29/556592829.db2.gz YMXZXFOSPFYTOV-UHFFFAOYSA-N 0 0 429.723 4.003 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036623198 556598622 /nfs/dbraw/zinc/59/86/22/556598622.db2.gz LXZJXVQYIDJGSI-INIZCTEOSA-N 0 0 434.989 4.181 40 0 IIABRN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccn1 ZINC000016524521 556614054 /nfs/dbraw/zinc/61/40/54/556614054.db2.gz QJKXNTFLQUJTJX-JOCHJYFZSA-N 0 0 427.287 4.396 40 0 IIABRN Clc1cccc(Nc2nc(Sc3nc4ccccc4o3)nc(N3CCOCC3)n2)c1 ZINC000016545295 556614584 /nfs/dbraw/zinc/61/45/84/556614584.db2.gz MPHODVDZAAOUSU-UHFFFAOYSA-N 0 0 440.916 4.398 40 0 IIABRN CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 ZINC000038752479 556615826 /nfs/dbraw/zinc/61/58/26/556615826.db2.gz ASEBAIRWYBVQHW-OAQYLSRUSA-N 0 0 444.597 4.087 40 0 IIABRN COc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccs2)c1 ZINC000514289980 556623859 /nfs/dbraw/zinc/62/38/59/556623859.db2.gz SCANXSASCGPOLE-SONWIMMPSA-N 0 0 436.577 4.253 40 0 biogenic,in-vitro IIABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1 ZINC000016681574 556624148 /nfs/dbraw/zinc/62/41/48/556624148.db2.gz WWCCITVMEJGGGY-UHFFFAOYSA-N 0 0 447.004 4.007 40 0 IIABRN C[C@@]1(O)CCN(Cc2cccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288920 556624954 /nfs/dbraw/zinc/62/49/54/556624954.db2.gz DGCMZQQBKSHTLY-JAXLGGSGSA-N 0 0 430.570 4.445 40 0 biogenic,in-vitro IIABRN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C(=O)CC(C)(C)C)C[C@H]21 ZINC000514290376 556626548 /nfs/dbraw/zinc/62/65/48/556626548.db2.gz ZLGGSNLTUFQBSY-CTNGQTDRSA-N 0 0 428.479 4.112 40 0 biogenic,in-vitro IIABRN CCN(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985188 556631592 /nfs/dbraw/zinc/63/15/92/556631592.db2.gz KHYXSZBNNXRYOP-UHFFFAOYSA-N 0 0 445.766 4.060 40 0 IIABRN CCN(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000039985788 556632171 /nfs/dbraw/zinc/63/21/71/556632171.db2.gz GWSWGYXRULBJFI-UHFFFAOYSA-N 0 0 428.485 4.267 40 0 IIABRN CCOC(=O)c1ccc(N[C@H]2SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000016740550 556634640 /nfs/dbraw/zinc/63/46/40/556634640.db2.gz IOMLEDCIFHPLSG-INIZCTEOSA-N 0 0 449.326 4.259 40 0 IIABRN COc1ccccc1-c1ccnc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c12 ZINC000040373004 556635449 /nfs/dbraw/zinc/63/54/49/556635449.db2.gz KDBJZMDZLRWMIK-UHFFFAOYSA-N 0 0 426.520 4.453 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccc(OC)cc1 ZINC000040372607 556635522 /nfs/dbraw/zinc/63/55/22/556635522.db2.gz GZSKKTHOPHQWRT-UHFFFAOYSA-N 0 0 437.887 4.160 40 0 IIABRN C[C@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccc3ccccc3c2)c(=O)[nH]1 ZINC000040385650 556635977 /nfs/dbraw/zinc/63/59/77/556635977.db2.gz VDRSSJLTQKHFPR-AWEZNQCLSA-N 0 0 427.533 4.376 40 0 IIABRN Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccccc1 ZINC000040391006 556637681 /nfs/dbraw/zinc/63/76/81/556637681.db2.gz RPJHWEQPDBDCNR-UHFFFAOYSA-N 0 0 438.466 4.278 40 0 IIABRN CCc1nn2c(nnc3c2ccn(Cc2ccc(OC)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395890 556638481 /nfs/dbraw/zinc/63/84/81/556638481.db2.gz RZRJTQNPMSIMRQ-UHFFFAOYSA-N 0 0 445.910 4.379 40 0 IIABRN COCc1nn2c(ncc3c2ccn(CCc2ccc(OC)cc2)c3=O)c1-c1ccccc1 ZINC000040396406 556639081 /nfs/dbraw/zinc/63/90/81/556639081.db2.gz XAYGMCJBYHXXNQ-UHFFFAOYSA-N 0 0 440.503 4.109 40 0 IIABRN CCc1nn2c(ncc3c2ccn(Cc2ccccc2OC)c3=O)c1-c1ccc(F)cc1 ZINC000040396736 556639229 /nfs/dbraw/zinc/63/92/29/556639229.db2.gz MCTSZEQYCIRMBU-UHFFFAOYSA-N 0 0 428.467 4.470 40 0 IIABRN COc1ccc(CCn2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)cc1 ZINC000040398075 556640087 /nfs/dbraw/zinc/64/00/87/556640087.db2.gz XUFCERAYUUKJCJ-UHFFFAOYSA-N 0 0 431.883 4.011 40 0 IIABRN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(Br)cc1)N(CCO)C3=O ZINC000016778792 556640727 /nfs/dbraw/zinc/64/07/27/556640727.db2.gz DYFONTZEEVLAGO-KRWDZBQOSA-N 0 0 448.700 4.055 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000044842107 556668619 /nfs/dbraw/zinc/66/86/19/556668619.db2.gz GVYZYDXGEMRLSN-KRWDZBQOSA-N 0 0 444.503 4.346 40 0 IIABRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)c1 ZINC000017227434 556673946 /nfs/dbraw/zinc/67/39/46/556673946.db2.gz NYHUGZAUCSMHAN-UHFFFAOYSA-N 0 0 439.415 4.407 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000044883340 556674678 /nfs/dbraw/zinc/67/46/78/556674678.db2.gz YCHBBQKRSFWEOP-ZDUSSCGKSA-N 0 0 445.368 4.036 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000018078525 556683276 /nfs/dbraw/zinc/68/32/76/556683276.db2.gz YSTUQPXSRQPZIW-UHFFFAOYSA-N 0 0 428.476 4.307 40 0 IIABRN CCOc1ccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2cccnc2)cc1 ZINC000000796429 556695452 /nfs/dbraw/zinc/69/54/52/556695452.db2.gz XBXJEEMLWPFABE-UHFFFAOYSA-N 0 0 437.569 4.223 40 0 IIABRN COc1ccccc1N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000000800251 556696339 /nfs/dbraw/zinc/69/63/39/556696339.db2.gz XPUCSHXXBJWETF-QGZVFWFLSA-N 0 0 426.460 4.452 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)c1csnn1 ZINC000000800352 556696341 /nfs/dbraw/zinc/69/63/41/556696341.db2.gz KZZXXIMQSHOWED-FQEVSTJZSA-N 0 0 440.594 4.432 40 0 IIABRN CN1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019083650 556697890 /nfs/dbraw/zinc/69/78/90/556697890.db2.gz OZCVMDYYAKLMSI-OAQYLSRUSA-N 0 0 444.579 4.147 40 0 IIABRN COc1ccc([C@H](NC(=O)[C@@H]2COc3cc(C(C)(C)C)ccc3O2)c2ccncc2)cc1 ZINC000019084556 556698381 /nfs/dbraw/zinc/69/83/81/556698381.db2.gz HRSZLEVYRWUXGS-ZEQRLZLVSA-N 0 0 432.520 4.433 40 0 IIABRN CC[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000048520922 556700244 /nfs/dbraw/zinc/70/02/44/556700244.db2.gz ICBSBTSRZHYVGZ-KXXXHFJOSA-N 0 0 441.524 4.414 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000019121855 556701222 /nfs/dbraw/zinc/70/12/22/556701222.db2.gz JMAAHBZBKUMSCR-IBGZPJMESA-N 0 0 439.947 4.456 40 0 IIABRN O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 ZINC000257313930 556703381 /nfs/dbraw/zinc/70/33/81/556703381.db2.gz UURXYEGYYYNFPS-JOCHJYFZSA-N 0 0 429.564 4.162 40 0 IIABRN Cc1ccc([C@H](C)C(=O)N2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2C)cc1 ZINC000019136002 556706370 /nfs/dbraw/zinc/70/63/70/556706370.db2.gz QCPWWMCWAMMCHA-CVDCTZTESA-N 0 0 444.583 4.253 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257341727 556707022 /nfs/dbraw/zinc/70/70/22/556707022.db2.gz ZLSNGIIBSCRHQI-AREMUKBSSA-N 0 0 444.535 4.262 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000019209416 556708389 /nfs/dbraw/zinc/70/83/89/556708389.db2.gz YTEMMHHJTQFUBR-NDEPHWFRSA-N 0 0 441.575 4.197 40 0 IIABRN COc1ccccc1-c1cccc(CC2(C(=O)NCCn3nccc3C)CCOCC2)c1 ZINC000257226573 556708550 /nfs/dbraw/zinc/70/85/50/556708550.db2.gz FLFULFYAIFJFHF-UHFFFAOYSA-N 0 0 433.552 4.023 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)Cc2cccnc2)C1 ZINC000019212797 556710566 /nfs/dbraw/zinc/71/05/66/556710566.db2.gz JRMNAXBTXBIILI-MUUNZHRXSA-N 0 0 441.575 4.197 40 0 IIABRN COc1ccc(F)cc1-c1cccc(CC2(C(=O)NC[C@H]3CCCOC3)CCOCC2)c1 ZINC000257246409 556710992 /nfs/dbraw/zinc/71/09/92/556710992.db2.gz ITZRIBYFYRPXKI-HXUWFJFHSA-N 0 0 441.543 4.383 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257257847 556712363 /nfs/dbraw/zinc/71/23/63/556712363.db2.gz KRHUXSUNZLBJOA-GOSISDBHSA-N 0 0 429.476 4.346 40 0 IIABRN Cc1ccc([C@H](C)C(=O)N2CCC(Cc3ccccc3-c3cccnc3)(C(N)=O)CC2)cc1 ZINC000257266519 556713325 /nfs/dbraw/zinc/71/33/25/556713325.db2.gz MDISHAHYTPXIHP-NRFANRHFSA-N 0 0 441.575 4.497 40 0 IIABRN Cc1ccc2c(c1)C(=O)NCC1(CCC(C(=O)NCc3ccc(C(F)(F)F)cc3)CC1)O2 ZINC000019219080 556713818 /nfs/dbraw/zinc/71/38/18/556713818.db2.gz QGOZTGYJPMLOFG-UHFFFAOYSA-N 0 0 446.469 4.381 40 0 IIABRN CSCC[C@H](NC(=O)c1oc2ccc(C)cc2c1C)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019220444 556715160 /nfs/dbraw/zinc/71/51/60/556715160.db2.gz DSYBMGQJINIPPA-SFHVURJKSA-N 0 0 448.548 4.419 40 0 IIABRN CC(C)NC(=O)c1cccc(-c2ccccc2CC2(C(=O)NCC(F)F)CCOCC2)c1 ZINC000257282857 556715192 /nfs/dbraw/zinc/71/51/92/556715192.db2.gz OVOYYUYAHKVDNC-UHFFFAOYSA-N 0 0 444.522 4.212 40 0 IIABRN CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccncc2)CC1 ZINC000257290918 556716326 /nfs/dbraw/zinc/71/63/26/556716326.db2.gz QEVNEDAWCCGRPF-UHFFFAOYSA-N 0 0 427.548 4.302 40 0 IIABRN Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3cccc(-n4cnnc4)c3)CC2)c1 ZINC000257291183 556716433 /nfs/dbraw/zinc/71/64/33/556716433.db2.gz QFZXGCCMIONTHK-UHFFFAOYSA-N 0 0 440.507 4.178 40 0 IIABRN Cc1c(C)n(C)c2ccc(C(=O)N3CCO[C@H](c4nc(-c5ccccc5C)no4)C3)cc12 ZINC000019237514 556722429 /nfs/dbraw/zinc/72/24/29/556722429.db2.gz CNHIKQQMUNVLTE-QFIPXVFZSA-N 0 0 430.508 4.367 40 0 IIABRN Cc1cnccc1C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019239419 556724722 /nfs/dbraw/zinc/72/47/22/556724722.db2.gz JKDZLQJRAROOGA-RYQLBKOJSA-N 0 0 431.531 4.427 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)c1ccc(N(C)C)cc1 ZINC000019239753 556725425 /nfs/dbraw/zinc/72/54/25/556725425.db2.gz GTMUNAZVXZBBBD-HSZRJFAPSA-N 0 0 444.583 4.346 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1ccc(OC)cc1 ZINC000000871334 556725942 /nfs/dbraw/zinc/72/59/42/556725942.db2.gz OFIYEIKLCLMDKC-UHFFFAOYSA-N 0 0 442.468 4.495 40 0 IIABRN Cc1cnn(CC(=O)N2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)c1 ZINC000019239898 556725970 /nfs/dbraw/zinc/72/59/70/556725970.db2.gz IHZKPBVRICXLNT-CQSZACIVSA-N 0 0 435.450 4.276 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)COc1ccccc1 ZINC000000871423 556726006 /nfs/dbraw/zinc/72/60/06/556726006.db2.gz HIKHFJQQJDIBBE-UHFFFAOYSA-N 0 0 442.468 4.252 40 0 IIABRN Cc1ncc(CN2CCc3nc(-c4cccnc4)nc(Nc4cccc(F)c4)c3C2)cn1 ZINC000019287244 556728184 /nfs/dbraw/zinc/72/81/84/556728184.db2.gz RETBVBXVTZFBHC-UHFFFAOYSA-N 0 0 427.487 4.078 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCc3ccco3)cc2c1 ZINC000000875458 556728512 /nfs/dbraw/zinc/72/85/12/556728512.db2.gz GVXIZCXJZZYDBH-UHFFFAOYSA-N 0 0 432.549 4.210 40 0 IIABRN Cc1nccn1C[C@@H](C)C(=O)N1CC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019287659 556728612 /nfs/dbraw/zinc/72/86/12/556728612.db2.gz CBYYWRMOCQTRDA-ZBFHGGJFSA-N 0 0 448.493 4.029 40 0 IIABRN Cn1cc(CCC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c2ccccc21 ZINC000019290409 556730548 /nfs/dbraw/zinc/73/05/48/556730548.db2.gz XIXQYVUJFVHMOX-UHFFFAOYSA-N 0 0 446.576 4.329 40 0 IIABRN COc1ccc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(OC(C)=O)cc(C)c32)cc1 ZINC000000881834 556732830 /nfs/dbraw/zinc/73/28/30/556732830.db2.gz GJPUAQJHIDTDIY-DVECYGJZSA-N 0 0 440.565 4.186 40 0 IIABRN O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019294114 556733962 /nfs/dbraw/zinc/73/39/62/556733962.db2.gz QSRPKQWXOXOJTG-RTWAWAEBSA-N 0 0 433.487 4.264 40 0 IIABRN Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c12 ZINC000000889400 556739048 /nfs/dbraw/zinc/73/90/48/556739048.db2.gz YDBRNJAILDGZNP-VWLOTQADSA-N 0 0 448.530 4.023 40 0 IIABRN Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)c(=O)[nH]c12 ZINC000000889261 556739361 /nfs/dbraw/zinc/73/93/61/556739361.db2.gz NYFLZDRJIAOWPI-QHCPKHFHSA-N 0 0 426.524 4.090 40 0 IIABRN Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c2c1 ZINC000000891725 556739896 /nfs/dbraw/zinc/73/98/96/556739896.db2.gz FSTAGVYKAKRQTP-XMMPIXPASA-N 0 0 440.551 4.480 40 0 IIABRN O=C(CC[C@@H]1CCCO1)N1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 ZINC000019341147 556740106 /nfs/dbraw/zinc/74/01/06/556740106.db2.gz SUGUQOVGCRWBQG-FQEVSTJZSA-N 0 0 447.514 4.265 40 0 IIABRN CCn1c(COc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C ZINC000000906731 556744093 /nfs/dbraw/zinc/74/40/93/556744093.db2.gz SFNSCBHYRKSOHJ-INIZCTEOSA-N 0 0 426.542 4.313 40 0 IIABRN Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000914431 556745812 /nfs/dbraw/zinc/74/58/12/556745812.db2.gz ALOVSTMQZOSEDZ-UHFFFAOYSA-N 0 0 436.533 4.437 40 0 IIABRN O=C(CSc1nnc(-c2ccncc2)n1CCc1ccccc1)Nc1cccc(O)c1 ZINC000000915300 556746454 /nfs/dbraw/zinc/74/64/54/556746454.db2.gz LMYXGPFIYWMRQW-UHFFFAOYSA-N 0 0 431.521 4.019 40 0 IIABRN Cc1ccc(NCc2nnc(SCC(=O)OC(C)C)n2C[C@@H]2CCCO2)cc1Cl ZINC000000915569 556746691 /nfs/dbraw/zinc/74/66/91/556746691.db2.gz PLMXWIMOVWMDBS-INIZCTEOSA-N 0 0 438.981 4.075 40 0 IIABRN O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 ZINC000019368815 556746917 /nfs/dbraw/zinc/74/69/17/556746917.db2.gz AQJFTKVRKMABSI-OAQYLSRUSA-N 0 0 434.565 4.169 40 0 IIABRN COc1ccc(NCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 ZINC000000917859 556747945 /nfs/dbraw/zinc/74/79/45/556747945.db2.gz SFGMJGJZFJPWCS-UHFFFAOYSA-N 0 0 431.949 4.128 40 0 IIABRN NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)CCc2ccccc2)C1 ZINC000019370713 556748156 /nfs/dbraw/zinc/74/81/56/556748156.db2.gz WYAAYEZVPKWQFG-HHHXNRCGSA-N 0 0 427.548 4.018 40 0 IIABRN O=C([C@@H]1CCCO1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 ZINC000019373110 556749629 /nfs/dbraw/zinc/74/96/29/556749629.db2.gz RWWJIIVFKWYMBZ-UGKGYDQZSA-N 0 0 429.524 4.167 40 0 IIABRN O=C(c1ccco1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000019374016 556750508 /nfs/dbraw/zinc/75/05/08/556750508.db2.gz JVYMLLDMMBNDAZ-UHFFFAOYSA-N 0 0 427.439 4.366 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1cnccn1)c1ccc(F)cc1 ZINC000000921652 556750663 /nfs/dbraw/zinc/75/06/63/556750663.db2.gz KJYADUBHSHJFNN-HSZRJFAPSA-N 0 0 432.499 4.453 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1 ZINC000000922273 556750935 /nfs/dbraw/zinc/75/09/35/556750935.db2.gz XWLZLNDPTVJJDK-UHFFFAOYSA-N 0 0 445.566 4.051 40 0 IIABRN O=C(N1CCC2(CC1)NC(=O)c1ccccc1N2)C1(c2ccc(F)cc2Cl)CCCC1 ZINC000019374634 556751115 /nfs/dbraw/zinc/75/11/15/556751115.db2.gz UDSYTDMMNPDKRB-UHFFFAOYSA-N 0 0 441.934 4.465 40 0 IIABRN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376500 556752328 /nfs/dbraw/zinc/75/23/28/556752328.db2.gz UDAOZWGCYWPYKQ-GOSISDBHSA-N 0 0 440.912 4.464 40 0 IIABRN O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C(=O)c3ccccn3)CC[C@@H]21 ZINC000019400220 556752844 /nfs/dbraw/zinc/75/28/44/556752844.db2.gz DZGPTUZUAIZDCZ-ONTIZHBOSA-N 0 0 435.524 4.053 40 0 IIABRN Cc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1 ZINC000000926113 556753060 /nfs/dbraw/zinc/75/30/60/556753060.db2.gz GQQQARTZZKIQEL-UHFFFAOYSA-N 0 0 442.567 4.183 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C(C)(C)C)Cc3ccc(F)cc3)cc2c1 ZINC000000926675 556753386 /nfs/dbraw/zinc/75/33/86/556753386.db2.gz JHJSXLRUXRCRPX-UHFFFAOYSA-N 0 0 448.546 4.228 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3C(C)(C)C)cc12 ZINC000000926897 556753788 /nfs/dbraw/zinc/75/37/88/556753788.db2.gz MVLXXTSJYRBZFE-UHFFFAOYSA-N 0 0 444.583 4.131 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 ZINC000019448843 556758588 /nfs/dbraw/zinc/75/85/88/556758588.db2.gz KEWUYQZRLZIJQR-HHHXNRCGSA-N 0 0 442.563 4.133 40 0 IIABRN COc1ccc2cc(C)c(SCC(=O)NCCc3ccc(OC)c(OC)c3)nc2c1 ZINC000000932988 556758925 /nfs/dbraw/zinc/75/89/25/556758925.db2.gz KQGGLTLBNDXCSC-UHFFFAOYSA-N 0 0 426.538 4.020 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000019449117 556759230 /nfs/dbraw/zinc/75/92/30/556759230.db2.gz ODOPOBAUPCOGAW-HOFKKMOUSA-N 0 0 431.580 4.391 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)c(C)c3)n2C)cc1 ZINC000000933800 556759269 /nfs/dbraw/zinc/75/92/69/556759269.db2.gz XSANNTZZNVZJBX-UHFFFAOYSA-N 0 0 432.933 4.095 40 0 IIABRN COc1ccccc1-c1ccc(C[C@@]2(C(=O)NC(C)C)CCN(C(=O)C3CCC3)C2)cc1 ZINC000019449071 556759254 /nfs/dbraw/zinc/75/92/54/556759254.db2.gz MVMJGSZAFFOVQN-MHZLTWQESA-N 0 0 434.580 4.448 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000019449159 556759397 /nfs/dbraw/zinc/75/93/97/556759397.db2.gz YDMZKGFZJSEMBC-SQJMNOBHSA-N 0 0 440.609 4.270 40 0 IIABRN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3cccs3)[C@@H]2C1=O ZINC000096318575 556760177 /nfs/dbraw/zinc/76/01/77/556760177.db2.gz DHFHICQQFCQDAA-MDNKFWRPSA-N 0 0 440.952 4.270 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccncc2)C1 ZINC000019449475 556760242 /nfs/dbraw/zinc/76/02/42/556760242.db2.gz VFYCKOWHXKMZGS-MHZLTWQESA-N 0 0 445.538 4.487 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2ccccc2)CCO1 ZINC000019449706 556760346 /nfs/dbraw/zinc/76/03/46/556760346.db2.gz VSHXLLAJRJLWJH-SANMLTNESA-N 0 0 448.588 4.394 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccc2)CCO1 ZINC000019449701 556760467 /nfs/dbraw/zinc/76/04/67/556760467.db2.gz SYTNYIMAGRZIQR-NDEPHWFRSA-N 0 0 442.559 4.332 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(Cc2ccccn2)CCO1 ZINC000019449738 556760860 /nfs/dbraw/zinc/76/08/60/556760860.db2.gz SXWVOAAHYAFGFH-VWLOTQADSA-N 0 0 435.593 4.148 40 0 IIABRN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4cc(C)ccc4N3[C@H](C(=O)c3cccs3)[C@@H]2C1=O ZINC000096551383 556761072 /nfs/dbraw/zinc/76/10/72/556761072.db2.gz SZHVEPUVIXHIHU-ZDFPQIBNSA-N 0 0 434.561 4.315 40 0 IIABRN CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)n1 ZINC000019450279 556761293 /nfs/dbraw/zinc/76/12/93/556761293.db2.gz CKMXQWRCDCJJSP-UHFFFAOYSA-N 0 0 447.587 4.399 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC000019454825 556764917 /nfs/dbraw/zinc/76/49/17/556764917.db2.gz ARWGWLMOPWLODN-XMMPIXPASA-N 0 0 436.581 4.014 40 0 IIABRN CC(C)n1cc(C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)cn1 ZINC000019454887 556765227 /nfs/dbraw/zinc/76/52/27/556765227.db2.gz SPQBDOISBNOSRU-DEOSSOPVSA-N 0 0 436.581 4.143 40 0 IIABRN C[C@@H](Cn1cccn1)C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019457573 556766229 /nfs/dbraw/zinc/76/62/29/556766229.db2.gz WSCXDIWYGUZDNW-GJZGRUSLSA-N 0 0 449.502 4.463 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H](C)c2ccccc2)C1 ZINC000019459130 556766435 /nfs/dbraw/zinc/76/64/35/556766435.db2.gz QQPMRPLHXGTQHB-RBTNQOKQSA-N 0 0 441.575 4.450 40 0 IIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCc3ccccn3)nnc12 ZINC000001325849 556771668 /nfs/dbraw/zinc/77/16/68/556771668.db2.gz VJQNXPPYMXBWQZ-IAGOWNOFSA-N 0 0 434.569 4.161 40 0 IIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cc3c(C)n[nH]c3C)cc2N1 ZINC000019500870 556772290 /nfs/dbraw/zinc/77/22/90/556772290.db2.gz NPUIJQHCXXHPTN-FHLIZLRMSA-N 0 0 438.498 4.217 40 0 IIABRN CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cc3c(C)n[nH]c3C)cc2N1 ZINC000019500868 556772319 /nfs/dbraw/zinc/77/23/19/556772319.db2.gz NPUIJQHCXXHPTN-JLSDUUJJSA-N 0 0 438.498 4.217 40 0 IIABRN CCCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019503222 556774815 /nfs/dbraw/zinc/77/48/15/556774815.db2.gz HUSGVFYCWISTII-QHCPKHFHSA-N 0 0 444.579 4.123 40 0 IIABRN CCOc1ccccc1C(=O)N1CC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 ZINC000019520020 556775509 /nfs/dbraw/zinc/77/55/09/556775509.db2.gz BHJHUPFOTDFXCJ-RUZDIDTESA-N 0 0 434.561 4.374 40 0 IIABRN CCOc1ccccc1C(=O)N1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 ZINC000019520144 556775990 /nfs/dbraw/zinc/77/59/90/556775990.db2.gz WUMMVEQBAWXCQX-UHFFFAOYSA-N 0 0 436.552 4.280 40 0 IIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cc(C(C)C)nn3C)cc2N1 ZINC000019520738 556777429 /nfs/dbraw/zinc/77/74/29/556777429.db2.gz BMJLNEAZFLXHPE-MZMPZRCHSA-N 0 0 438.498 4.415 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2c(C)onc2CC)C1 ZINC000019521184 556778009 /nfs/dbraw/zinc/77/80/09/556778009.db2.gz BYRQVMRYHBLPPN-MHZLTWQESA-N 0 0 445.563 4.424 40 0 IIABRN CCc1c(C)sc2ncn(C3CCN(C(=O)c4cccc5cccnc54)CC3)c(=O)c12 ZINC000019521833 556778548 /nfs/dbraw/zinc/77/85/48/556778548.db2.gz IEYSXDLTSWYOIB-UHFFFAOYSA-N 0 0 432.549 4.354 40 0 IIABRN COc1cccc2cc(C(=O)N(Cc3ccc(Cl)cc3)C[C@H]3CCCO3)c(=O)oc21 ZINC000001342120 556778934 /nfs/dbraw/zinc/77/89/34/556778934.db2.gz TXYIAHLMYSTSGY-GOSISDBHSA-N 0 0 427.884 4.276 40 0 IIABRN CCCC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2CC)c1 ZINC000001342488 556779190 /nfs/dbraw/zinc/77/91/90/556779190.db2.gz OVJJWUYHBSMZMT-UHFFFAOYSA-N 0 0 429.571 4.496 40 0 IIABRN Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)N2CCC(C)CC2)C(=O)C(C)(C)O3)cc1 ZINC000001342417 556779210 /nfs/dbraw/zinc/77/92/10/556779210.db2.gz WOKJMIHFUAHADH-UHFFFAOYSA-N 0 0 449.551 4.010 40 0 IIABRN CCn1c(SCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)nnc1-c1cccs1 ZINC000001342470 556779244 /nfs/dbraw/zinc/77/92/44/556779244.db2.gz KSSNUKWBPXRDOP-UHFFFAOYSA-N 0 0 427.555 4.106 40 0 IIABRN COc1ccccc1N1CCN(C(=O)c2sc3nc4ccc(C)cc4cc3c2N)CC1 ZINC000001342735 556779402 /nfs/dbraw/zinc/77/94/02/556779402.db2.gz CSUGCTNOSCDGFT-UHFFFAOYSA-N 0 0 432.549 4.311 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)cc2n1 ZINC000019522455 556779597 /nfs/dbraw/zinc/77/95/97/556779597.db2.gz QJFDRNVVLVHSFJ-UHFFFAOYSA-N 0 0 434.437 4.398 40 0 IIABRN Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000001353479 556781525 /nfs/dbraw/zinc/78/15/25/556781525.db2.gz KIBUSDPNWKTJGT-UHFFFAOYSA-N 0 0 440.529 4.273 40 0 IIABRN CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCc2ccccc21 ZINC000001353734 556781741 /nfs/dbraw/zinc/78/17/41/556781741.db2.gz YPHSSHIIYGUFJF-UHFFFAOYSA-N 0 0 431.467 4.337 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1 ZINC000001357012 556782794 /nfs/dbraw/zinc/78/27/94/556782794.db2.gz IBEXDKKROAPATG-JOCHJYFZSA-N 0 0 446.507 4.382 40 0 IIABRN CCCn1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c(C)n1 ZINC000019526037 556783772 /nfs/dbraw/zinc/78/37/72/556783772.db2.gz OUCDUOKNENPJLP-CQSZACIVSA-N 0 0 435.450 4.485 40 0 IIABRN Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000001372785 556785284 /nfs/dbraw/zinc/78/52/84/556785284.db2.gz IHULIJITIYXPGP-UHFFFAOYSA-N 0 0 446.898 4.193 40 0 IIABRN CCN1CCN(C(=O)CC[C@H]2CCCO2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019527413 556785774 /nfs/dbraw/zinc/78/57/74/556785774.db2.gz CSLFVWNUQHATOM-FGZHOGPDSA-N 0 0 440.609 4.224 40 0 IIABRN CCN1CCN(Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527407 556785815 /nfs/dbraw/zinc/78/58/15/556785815.db2.gz UHEKVSMWKDRXAI-VWLOTQADSA-N 0 0 443.595 4.185 40 0 IIABRN COc1ccc(OC)c(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000001358797 556785954 /nfs/dbraw/zinc/78/59/54/556785954.db2.gz SRCJXHJAWYVLRX-UHFFFAOYSA-N 0 0 428.920 4.052 40 0 IIABRN CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527649 556786617 /nfs/dbraw/zinc/78/66/17/556786617.db2.gz KWRQRTTTWLURJD-QFIPXVFZSA-N 0 0 444.579 4.363 40 0 IIABRN CCN1CCN(Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527770 556787475 /nfs/dbraw/zinc/78/74/75/556787475.db2.gz QMZALLYKMLCAEM-XMMPIXPASA-N 0 0 443.595 4.185 40 0 IIABRN CCCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cccnc1 ZINC000001361271 556787829 /nfs/dbraw/zinc/78/78/29/556787829.db2.gz MIHHYOWCZSHGIL-UHFFFAOYSA-N 0 0 432.347 4.243 40 0 IIABRN CCc1ccccc1-n1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1 ZINC000001362365 556788382 /nfs/dbraw/zinc/78/83/82/556788382.db2.gz DMSNOYBOZRUTNP-UHFFFAOYSA-N 0 0 436.566 4.387 40 0 IIABRN CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O ZINC000001362335 556788398 /nfs/dbraw/zinc/78/83/98/556788398.db2.gz NLHTZHYMJOHYQS-QHCPKHFHSA-N 0 0 429.520 4.123 40 0 IIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2c(C)noc2C)C1 ZINC000019528962 556789703 /nfs/dbraw/zinc/78/97/03/556789703.db2.gz HZHJAGAOUUFUCW-XMMPIXPASA-N 0 0 437.565 4.231 40 0 IIABRN Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)cs2)c1 ZINC000001365924 556790541 /nfs/dbraw/zinc/79/05/41/556790541.db2.gz KRSMZZHZRLTAJQ-CQSZACIVSA-N 0 0 427.551 4.081 40 0 IIABRN COc1ccc(C(=O)N(CCc2ccccc2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000001366723 556791372 /nfs/dbraw/zinc/79/13/72/556791372.db2.gz AGTRXRKXBKYTOL-UHFFFAOYSA-N 0 0 442.515 4.430 40 0 IIABRN CCOc1ncccc1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(C)noc3n2)C1 ZINC000019531405 556792134 /nfs/dbraw/zinc/79/21/34/556792134.db2.gz HOADAURUAFPZQB-CYBMUJFWSA-N 0 0 434.418 4.364 40 0 IIABRN Cc1ccc2c(c1)cc(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)c1nnnn12 ZINC000001376906 556794231 /nfs/dbraw/zinc/79/42/31/556794231.db2.gz MYTXDZULNGZSMF-UHFFFAOYSA-N 0 0 435.553 4.110 40 0 IIABRN COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4ccccc4)C3)cc2)cc1 ZINC000019558253 556800005 /nfs/dbraw/zinc/80/00/05/556800005.db2.gz LXEAMKUXOJOUME-HHHXNRCGSA-N 0 0 428.532 4.313 40 0 IIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CCc2ccccc2F)c1C ZINC000019558414 556800195 /nfs/dbraw/zinc/80/01/95/556800195.db2.gz UXKZEHBOEXZRHX-HXUWFJFHSA-N 0 0 437.519 4.250 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)o1 ZINC000019559326 556800988 /nfs/dbraw/zinc/80/09/88/556800988.db2.gz LFYSPSNYSHOFPD-CWRNSKLLSA-N 0 0 425.455 4.409 40 0 IIABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nc(-c3ccsc3)cc(=O)[nH]2)C1 ZINC000019559014 556800995 /nfs/dbraw/zinc/80/09/95/556800995.db2.gz KNMFMQMEADEWER-CYBMUJFWSA-N 0 0 429.929 4.180 40 0 IIABRN COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019558988 556801003 /nfs/dbraw/zinc/80/10/03/556801003.db2.gz NMXHVMLRHOWNJN-UHFFFAOYSA-N 0 0 429.929 4.180 40 0 IIABRN Cc1nc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)n1 ZINC000019563812 556804550 /nfs/dbraw/zinc/80/45/50/556804550.db2.gz VPGLSLBHNYNLOJ-ABAIWWIYSA-N 0 0 432.475 4.034 40 0 IIABRN COc1ccccc1OCC(=O)N1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 ZINC000019564757 556805658 /nfs/dbraw/zinc/80/56/58/556805658.db2.gz KGHMGMRCOXYWBZ-UHFFFAOYSA-N 0 0 449.429 4.344 40 0 IIABRN CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000060524991 556808150 /nfs/dbraw/zinc/80/81/50/556808150.db2.gz XSNGRLOCXKIDIW-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN COc1ccccc1C(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 ZINC000019568671 556808731 /nfs/dbraw/zinc/80/87/31/556808731.db2.gz XDHDJGBQVPJNGC-RUZDIDTESA-N 0 0 434.561 4.374 40 0 IIABRN CCOC(=O)c1c(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 ZINC000003328981 556812336 /nfs/dbraw/zinc/81/23/36/556812336.db2.gz GVJZZJDQGFFMNT-QXSJWSMHSA-N 0 0 433.570 4.358 40 0 IIABRN CSCC[C@@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019576924 556815245 /nfs/dbraw/zinc/81/52/45/556815245.db2.gz WLHMVRLWNWAVRJ-LJQANCHMSA-N 0 0 447.564 4.154 40 0 IIABRN CCn1cncc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019578394 556815908 /nfs/dbraw/zinc/81/59/08/556815908.db2.gz BLZDEQBGLKHSMS-CYBMUJFWSA-N 0 0 435.475 4.460 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CCc2ccccc2)C1 ZINC000019579961 556817779 /nfs/dbraw/zinc/81/77/79/556817779.db2.gz PCNNCNHFANHKJP-MUUNZHRXSA-N 0 0 441.575 4.231 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)C2CCCCC2)CCO1 ZINC000019580601 556818652 /nfs/dbraw/zinc/81/86/52/556818652.db2.gz DEPMTMBMOPYTMH-RUZDIDTESA-N 0 0 440.609 4.224 40 0 IIABRN CCOCCCNC(=S)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004160785 556820290 /nfs/dbraw/zinc/82/02/90/556820290.db2.gz XBZPYQFRIMWZAC-UHFFFAOYSA-N 0 0 427.570 4.041 40 0 IIABRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N1CCCCCC1 ZINC000255937144 556820874 /nfs/dbraw/zinc/82/08/74/556820874.db2.gz ORHKLRZXQYCKCJ-UHFFFAOYSA-N 0 0 427.961 4.477 40 0 IIABRN CC(C)N(C(=O)Cn1c2ccccc2nc1SCC(=O)N1CCCC[C@@H]1C)C(C)C ZINC000004859261 556824508 /nfs/dbraw/zinc/82/45/08/556824508.db2.gz MTFHTJXINHVNRA-SFHVURJKSA-N 0 0 430.618 4.175 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000019591553 556827103 /nfs/dbraw/zinc/82/71/03/556827103.db2.gz YLKTTYRZTOBSGK-NDEPHWFRSA-N 0 0 441.575 4.241 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccc2OC)C1 ZINC000019591605 556827199 /nfs/dbraw/zinc/82/71/99/556827199.db2.gz YBWGIGYQFMOWNB-MHZLTWQESA-N 0 0 428.532 4.183 40 0 IIABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2ccnc(NC)c2)C1 ZINC000019592070 556827859 /nfs/dbraw/zinc/82/78/59/556827859.db2.gz RFCATVKVZDDENR-RUZDIDTESA-N 0 0 448.592 4.063 40 0 IIABRN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593229 556829359 /nfs/dbraw/zinc/82/93/59/556829359.db2.gz IHUNIWWLXUFKNK-JTSKRJEESA-N 0 0 436.383 4.494 40 0 IIABRN COc1cc(NC(=O)c2cc([C@H]3CCCN(C(=O)C4CCCCC4)C3)no2)cc(OC)c1 ZINC000019595168 556830796 /nfs/dbraw/zinc/83/07/96/556830796.db2.gz IBWLTOPHBDOQGU-KRWDZBQOSA-N 0 0 441.528 4.230 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)Nc3cccc(Cl)c3)cc12 ZINC000006321761 556833171 /nfs/dbraw/zinc/83/31/71/556833171.db2.gz QITFSYFZNAMNFY-UHFFFAOYSA-N 0 0 429.973 4.380 40 0 IIABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cc[nH]n1 ZINC000006445504 556833468 /nfs/dbraw/zinc/83/34/68/556833468.db2.gz DCJCSWSWGMNFNW-QFIPXVFZSA-N 0 0 438.478 4.130 40 0 IIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC000019633434 556833768 /nfs/dbraw/zinc/83/37/68/556833768.db2.gz DOIVLJFHMGYEJZ-UHFFFAOYSA-N 0 0 441.400 4.083 40 0 IIABRN CCOC(=O)CN(C(=O)CSc1ncnc2sc3c(c21)CCCC3)c1ccccc1 ZINC000006546407 556838679 /nfs/dbraw/zinc/83/86/79/556838679.db2.gz NVNNFFWRZZIDQH-UHFFFAOYSA-N 0 0 441.578 4.259 40 0 IIABRN CCS(=O)(=O)CCCC[C@H]1N=N[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)S1 ZINC000006631592 556839114 /nfs/dbraw/zinc/83/91/14/556839114.db2.gz ZXRCBCIXTAXXIS-DZGCQCFKSA-N 0 0 438.497 4.241 40 0 IIABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)cc2c1 ZINC000008674222 556844137 /nfs/dbraw/zinc/84/41/37/556844137.db2.gz OVYJHZINMSGNQR-DEOSSOPVSA-N 0 0 440.551 4.480 40 0 aggregator IIABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 ZINC000019689463 556844271 /nfs/dbraw/zinc/84/42/71/556844271.db2.gz LKOOVPKSZQZFLJ-IBGZPJMESA-N 0 0 436.947 4.052 40 0 IIABRN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)c1 ZINC000019689541 556844514 /nfs/dbraw/zinc/84/45/14/556844514.db2.gz PMFBKXKFWJVKCO-OAQYLSRUSA-N 0 0 434.544 4.042 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000008686547 556844764 /nfs/dbraw/zinc/84/47/64/556844764.db2.gz HGJBNLZUDJOUHP-IBGZPJMESA-N 0 0 441.622 4.262 40 0 IIABRN CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2C(=O)COc2ccccc2F)n1 ZINC000019690164 556845607 /nfs/dbraw/zinc/84/56/07/556845607.db2.gz MYGIGZBRSJBISG-FQEVSTJZSA-N 0 0 438.478 4.230 40 0 IIABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)COc2ccccc2F)n1 ZINC000019690168 556845733 /nfs/dbraw/zinc/84/57/33/556845733.db2.gz YRWJEUHQIAPQFZ-FQEVSTJZSA-N 0 0 438.478 4.230 40 0 IIABRN COc1cccc(Cc2ccc(C3CCN(C(=O)C[C@H](C)n4nc(C)nc4C)CC3)nc2)c1 ZINC000019690474 556846284 /nfs/dbraw/zinc/84/62/84/556846284.db2.gz UHLKTYYNCFQKAE-SFHVURJKSA-N 0 0 447.583 4.247 40 0 IIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019693900 556848430 /nfs/dbraw/zinc/84/84/30/556848430.db2.gz UUJKSIAEWMEOMH-OAHLLOKOSA-N 0 0 425.533 4.133 40 0 IIABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)n1 ZINC000019694306 556850129 /nfs/dbraw/zinc/85/01/29/556850129.db2.gz BAHROWDYFFTVJD-OAQYLSRUSA-N 0 0 448.546 4.318 40 0 IIABRN COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1Cc1ccccn1 ZINC000019694837 556851118 /nfs/dbraw/zinc/85/11/18/556851118.db2.gz MCBBFHUPHQMRPH-FQEVSTJZSA-N 0 0 433.556 4.349 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)C2CCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019696018 556853076 /nfs/dbraw/zinc/85/30/76/556853076.db2.gz WKVYCCLTVMOONE-QFIPXVFZSA-N 0 0 432.568 4.161 40 0 IIABRN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c(OC)c1 ZINC000408784151 556855515 /nfs/dbraw/zinc/85/55/15/556855515.db2.gz SSYOJCAEKNZHRJ-UHFFFAOYSA-N 0 0 448.585 4.259 40 0 IIABRN O=C(c1sc2ccccc2c1[C@@H]1CN(CC2CCCCC2)CCO1)N1CCOCC1 ZINC000019697854 556855712 /nfs/dbraw/zinc/85/57/12/556855712.db2.gz 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IIABRN COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)[nH]n2)c1 ZINC000072371610 556939801 /nfs/dbraw/zinc/93/98/01/556939801.db2.gz SYPOJWDLTXTRRA-LJQANCHMSA-N 0 0 444.535 4.459 40 0 IIABRN O=C(COc1ccc(F)cc1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371697 556939970 /nfs/dbraw/zinc/93/99/70/556939970.db2.gz KWCDRRKCXVLMMD-MRXNPFEDSA-N 0 0 443.906 4.219 40 0 IIABRN O=C(CCc1ccc(F)cc1)N1CC[C@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371784 556940896 /nfs/dbraw/zinc/94/08/96/556940896.db2.gz DTZGRPVDYDHZMY-SFHVURJKSA-N 0 0 425.479 4.258 40 0 IIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409067910 556942650 /nfs/dbraw/zinc/94/26/50/556942650.db2.gz RJKDQSLBMLBYJR-RVZJCZPVSA-N 0 0 441.505 4.180 40 0 IIABRN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000072372519 556943157 /nfs/dbraw/zinc/94/31/57/556943157.db2.gz XNCFODBQBHGQMB-OAQYLSRUSA-N 0 0 441.532 4.205 40 0 IIABRN CCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409072763 556946260 /nfs/dbraw/zinc/94/62/60/556946260.db2.gz SJJDHGJNLZVVDI-UHFFFAOYSA-N 0 0 429.369 4.019 40 0 IIABRN Cc1ccccc1OCCCNc1cc([C@@H](C)n2ncc3ccccc3c2=O)nc(C)n1 ZINC000072373349 556946337 /nfs/dbraw/zinc/94/63/37/556946337.db2.gz FNOGKRPCEOWTLZ-GOSISDBHSA-N 0 0 429.524 4.294 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)c1 ZINC000072373764 556946513 /nfs/dbraw/zinc/94/65/13/556946513.db2.gz HQCOZTZBGKPTRU-QHCPKHFHSA-N 0 0 443.551 4.119 40 0 IIABRN COc1ccc(NC(=O)CN2CCC(c3ccc(Nc4nc(C)cc(C)n4)cn3)CC2)cc1 ZINC000072374176 556947439 /nfs/dbraw/zinc/94/74/39/556947439.db2.gz KBGCMFVFGIMXPX-UHFFFAOYSA-N 0 0 446.555 4.059 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000019930867 556948549 /nfs/dbraw/zinc/94/85/49/556948549.db2.gz FIMPHQYGWSIPFV-LOSJGSFVSA-N 0 0 448.588 4.078 40 0 IIABRN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC ZINC000019932195 556948940 /nfs/dbraw/zinc/94/89/40/556948940.db2.gz KYTFLONEIPXIQF-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN CCN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937973 556952035 /nfs/dbraw/zinc/95/20/35/556952035.db2.gz RSSLBMRAJSWOFY-UHFFFAOYSA-N 0 0 446.475 4.198 40 0 IIABRN CCN(c1ccc(OCC(=O)NC2CCCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938012 556952048 /nfs/dbraw/zinc/95/20/48/556952048.db2.gz SIQJPFWVGJMQRC-UHFFFAOYSA-N 0 0 444.597 4.428 40 0 IIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)cc1 ZINC000072375698 556952530 /nfs/dbraw/zinc/95/25/30/556952530.db2.gz PHOMANJZXXGKOF-FQEVSTJZSA-N 0 0 433.512 4.145 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375686 556952667 /nfs/dbraw/zinc/95/26/67/556952667.db2.gz KANOZORTDUJJCJ-MRXNPFEDSA-N 0 0 448.545 4.264 40 0 IIABRN CCOc1cc2c(cc1/C=C1/NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C1=O)OCO2 ZINC000409101166 556955833 /nfs/dbraw/zinc/95/58/33/556955833.db2.gz WAEQPYJOJTYFKP-GIDUJCDVSA-N 0 0 435.263 4.214 40 0 IIABRN C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000020010084 556959882 /nfs/dbraw/zinc/95/98/82/556959882.db2.gz RSZDCUCWBBDADA-SFHVURJKSA-N 0 0 442.968 4.408 40 0 IIABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000020010183 556960138 /nfs/dbraw/zinc/96/01/38/556960138.db2.gz SUMFYLAYIHVLTO-VWLOTQADSA-N 0 0 448.588 4.114 40 0 IIABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21 ZINC000020011027 556960349 /nfs/dbraw/zinc/96/03/49/556960349.db2.gz WIUILVFWZDAJDL-QHCPKHFHSA-N 0 0 444.572 4.343 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C2CCCCC2)cc1 ZINC000020010542 556960400 /nfs/dbraw/zinc/96/04/00/556960400.db2.gz YJTPFKRZIGBZPS-UHFFFAOYSA-N 0 0 440.487 4.374 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000020014202 556961319 /nfs/dbraw/zinc/96/13/19/556961319.db2.gz OODWFFSTCYMGLV-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2C)CC1 ZINC000020017606 556963122 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445.498 4.064 40 0 IIABRN CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(F)c2)C1 ZINC000072395985 556968558 /nfs/dbraw/zinc/96/85/58/556968558.db2.gz AVAUCRSBGCJJAD-RUZDIDTESA-N 0 0 435.499 4.082 40 0 IIABRN O=C(CCCC(=O)N1CCc2ccccc21)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000072396271 556968983 /nfs/dbraw/zinc/96/89/83/556968983.db2.gz WFHLPWLGZSCUIF-QHCPKHFHSA-N 0 0 442.563 4.185 40 0 IIABRN Cc1cc(C)n2ncc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccc(Cl)cc3)c2n1 ZINC000072396971 556970051 /nfs/dbraw/zinc/97/00/51/556970051.db2.gz AQNQXYPBJVHUAR-HXUWFJFHSA-N 0 0 434.931 4.052 40 0 IIABRN COCCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409138375 556970777 /nfs/dbraw/zinc/97/07/77/556970777.db2.gz ATHMFZAZQXZMGP-FYJGNVAPSA-N 0 0 449.532 4.271 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000020039319 556971327 /nfs/dbraw/zinc/97/13/27/556971327.db2.gz HHORQYNCVQCOIM-QGZVFWFLSA-N 0 0 426.513 4.450 40 0 IIABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc(C)cc1 ZINC000020045286 556972882 /nfs/dbraw/zinc/97/28/82/556972882.db2.gz QOLUCXUKSIZRMS-DEOSSOPVSA-N 0 0 442.625 4.237 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2ccccc2)cc1 ZINC000020045253 556972907 /nfs/dbraw/zinc/97/29/07/556972907.db2.gz PSKVABFKABBKBQ-GOSISDBHSA-N 0 0 426.513 4.207 40 0 IIABRN COc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000409147870 556973332 /nfs/dbraw/zinc/97/33/32/556973332.db2.gz WRMBSCIIHUJZKM-UHFFFAOYSA-N 0 0 444.940 4.420 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000020061493 556975863 /nfs/dbraw/zinc/97/58/63/556975863.db2.gz STWFLPPCTISGTQ-UHFFFAOYSA-N 0 0 441.380 4.406 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O ZINC000020063076 556977006 /nfs/dbraw/zinc/97/70/06/556977006.db2.gz DHZQZIWKOOMHPK-UHFFFAOYSA-N 0 0 442.924 4.471 40 0 IIABRN Cc1ccccc1CNC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O ZINC000020063114 556977026 /nfs/dbraw/zinc/97/70/26/556977026.db2.gz QKLCQXAQSFGFJE-UHFFFAOYSA-N 0 0 426.925 4.141 40 0 IIABRN CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc(F)cc2F)S1(=O)=O ZINC000020063437 556977350 /nfs/dbraw/zinc/97/73/50/556977350.db2.gz RVWRFQRNQFBNPU-UHFFFAOYSA-N 0 0 426.444 4.143 40 0 IIABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(C(C)C)cc2)S1(=O)=O ZINC000020064033 556977876 /nfs/dbraw/zinc/97/78/76/556977876.db2.gz HSQVPONWSNJXOL-UHFFFAOYSA-N 0 0 444.553 4.367 40 0 IIABRN CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1 ZINC000409156287 556979737 /nfs/dbraw/zinc/97/97/37/556979737.db2.gz RSGNPDVYGXGWIM-UHFFFAOYSA-N 0 0 444.944 4.432 40 0 IIABRN CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000409156428 556979931 /nfs/dbraw/zinc/97/99/31/556979931.db2.gz ODTGIKGIJQJFQS-UHFFFAOYSA-N 0 0 445.548 4.112 40 0 IIABRN Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)Cc4csc(-c5ccccn5)n4)CC3)n2n1 ZINC000257203445 556980506 /nfs/dbraw/zinc/98/05/06/556980506.db2.gz AQCIUDXJAXYIOP-IYARVYRRSA-N 0 0 446.580 4.189 40 0 IIABRN CCSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020106093 556982617 /nfs/dbraw/zinc/98/26/17/556982617.db2.gz JARBMZBBDGCCJY-FQEVSTJZSA-N 0 0 446.638 4.412 40 0 IIABRN COc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020106463 556982731 /nfs/dbraw/zinc/98/27/31/556982731.db2.gz KELMQBFOAGJFMR-SFHVURJKSA-N 0 0 438.549 4.320 40 0 IIABRN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000409171877 556983764 /nfs/dbraw/zinc/98/37/64/556983764.db2.gz CJNGOWQPBFHEQX-UHFFFAOYSA-N 0 0 429.369 4.499 40 0 IIABRN COc1ccc(OC)c(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4scnc4C)o3)CC2)c1 ZINC000257228797 556983829 /nfs/dbraw/zinc/98/38/29/556983829.db2.gz FVGGWTPMJDHWBB-SHTZXODSSA-N 0 0 442.541 4.223 40 0 IIABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1 ZINC000409173583 556984438 /nfs/dbraw/zinc/98/44/38/556984438.db2.gz JXMBQQBEOMORGF-WOJGMQOQSA-N 0 0 428.535 4.482 40 0 IIABRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccc(F)cc3)c2)N2NC=NC2=N1 ZINC000409174698 556985204 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C[C@H](NC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O)c1ccc(F)cc1 ZINC000219183524 557230019 /nfs/dbraw/zinc/23/00/19/557230019.db2.gz GGZFIMQEDKTVME-INIZCTEOSA-N 0 0 436.508 4.242 40 0 IIABRN C[C@@]1(O)CCN(C(=O)c2ccccc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000604383070 557237400 /nfs/dbraw/zinc/23/74/00/557237400.db2.gz DERUOAYMASZJPQ-AWRGLXIESA-N 0 0 438.524 4.024 40 0 biogenic,in-vitro IIABRN Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)ccc1Cl ZINC000057317113 557240818 /nfs/dbraw/zinc/24/08/18/557240818.db2.gz OWPOKFNWOGSDAF-UHFFFAOYSA-N 0 0 443.975 4.361 40 0 IIABRN O=C(c1ccc(Br)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317236 557241043 /nfs/dbraw/zinc/24/10/43/557241043.db2.gz IBIBNHBCBZMBOX-UHFFFAOYSA-N 0 0 441.606 4.214 40 0 IIABRN Cc1cccc(OCC(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1C ZINC000057317307 557241079 /nfs/dbraw/zinc/24/10/79/557241079.db2.gz SPNIPXNRCJSKHF-UHFFFAOYSA-N 0 0 430.829 4.241 40 0 IIABRN COc1c(F)c(F)c(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c(F)c1F 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ITBHVRZOKVBHNO-QHCPKHFHSA-N 0 0 446.613 4.453 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CCCC1 ZINC000012873370 557260196 /nfs/dbraw/zinc/26/01/96/557260196.db2.gz NHFBIQNBZXQNNK-OAQYLSRUSA-N 0 0 438.528 4.120 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CCCC1 ZINC000012873542 557260264 /nfs/dbraw/zinc/26/02/64/557260264.db2.gz OXFCMHBFFDYDBT-OAQYLSRUSA-N 0 0 438.528 4.120 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000219628282 557260654 /nfs/dbraw/zinc/26/06/54/557260654.db2.gz KBIOUPLEHYHBMP-QHCPKHFHSA-N 0 0 446.613 4.453 40 0 IIABRN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000219751451 557266943 /nfs/dbraw/zinc/26/69/43/557266943.db2.gz KYOGBOGEJQFRAE-MRXNPFEDSA-N 0 0 432.851 4.151 40 0 IIABRN COc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000100642050 557267152 /nfs/dbraw/zinc/26/71/52/557267152.db2.gz ZAYSVDYPHSILKN-ZCNNSNEGSA-N 0 0 440.908 4.461 40 0 IIABRN CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000219760176 557267182 /nfs/dbraw/zinc/26/71/82/557267182.db2.gz NYSPYBKQQPXVQF-RTWAWAEBSA-N 0 0 434.989 4.377 40 0 IIABRN NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCCc2ccccn2)CC1 ZINC000100688387 557269846 /nfs/dbraw/zinc/26/98/46/557269846.db2.gz SAGKCKDREHMZEE-CALCHBBNSA-N 0 0 436.581 4.203 40 0 IIABRN Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)CC2)cc1 ZINC000219858759 557270363 /nfs/dbraw/zinc/27/03/63/557270363.db2.gz CCYRUZRSZBAKBZ-UHFFFAOYSA-N 0 0 428.536 4.175 40 0 IIABRN COC1CCC(C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)CC1 ZINC000100743609 557274289 /nfs/dbraw/zinc/27/42/89/557274289.db2.gz LCVJFHPVPJJJAT-VCWRXUFXSA-N 0 0 426.561 4.344 40 0 IIABRN CC(C)Oc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000219984949 557275280 /nfs/dbraw/zinc/27/52/80/557275280.db2.gz KBUGRZADJFOQIB-UHFFFAOYSA-N 0 0 444.597 4.011 40 0 IIABRN COc1ccccc1O[C@H](C)C(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 ZINC000100744832 557275535 /nfs/dbraw/zinc/27/55/35/557275535.db2.gz CRHUMHWKEYVKPD-SBHAEUEKSA-N 0 0 448.567 4.348 40 0 IIABRN O=C(Cn1c2ccccc2nc1SCC(=O)OC1CCCCC1)NCc1ccccc1 ZINC000013082936 557275969 /nfs/dbraw/zinc/27/59/69/557275969.db2.gz ISIBDPDUSCMLSO-UHFFFAOYSA-N 0 0 437.565 4.321 40 0 IIABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCCc3ccc(Cl)cc3)c2)CC1 ZINC000220000697 557276062 /nfs/dbraw/zinc/27/60/62/557276062.db2.gz NBNKCFTXMGETBD-UHFFFAOYSA-N 0 0 434.989 4.123 40 0 IIABRN CC1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2ccccc2O1 ZINC000220007185 557276841 /nfs/dbraw/zinc/27/68/41/557276841.db2.gz OHDGCQFGNXZXTA-NRFANRHFSA-N 0 0 442.581 4.284 40 0 IIABRN Cc1ccc(Cn2c3ccccc3n3c(SCC(=O)N4CCC(C)CC4)nnc23)cc1 ZINC000013084130 557277098 /nfs/dbraw/zinc/27/70/98/557277098.db2.gz QXHKVKGSLZIWTG-UHFFFAOYSA-N 0 0 433.581 4.391 40 0 IIABRN COCCNC(=O)[C@H](c1ccccc1)N(C(=O)c1sc(C)nc1C)c1ccc(F)cc1 ZINC000013084425 557277551 /nfs/dbraw/zinc/27/75/51/557277551.db2.gz WETZSGFYWFURIB-FQEVSTJZSA-N 0 0 441.528 4.050 40 0 IIABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c(SCc3cccnc3)nnc12 ZINC000013085675 557278457 /nfs/dbraw/zinc/27/84/57/557278457.db2.gz VJRWIOMMWRBMDP-CALCHBBNSA-N 0 0 434.569 4.161 40 0 IIABRN Cc1ccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl ZINC000220194536 557284777 /nfs/dbraw/zinc/28/47/77/557284777.db2.gz JHCRYPSOTVNKKL-GFCCVEGCSA-N 0 0 434.867 4.460 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000220200370 557284996 /nfs/dbraw/zinc/28/49/96/557284996.db2.gz KQJLXDZLIWUVDD-JKSUJKDBSA-N 0 0 442.503 4.354 40 0 IIABRN CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000220198168 557285000 /nfs/dbraw/zinc/28/50/00/557285000.db2.gz SMCBAFUDJMOMTK-CQSZACIVSA-N 0 0 444.475 4.286 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 ZINC000220203978 557285365 /nfs/dbraw/zinc/28/53/65/557285365.db2.gz HXWBLCHZZNPVEU-JKSUJKDBSA-N 0 0 442.503 4.354 40 0 IIABRN 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Cc1ccc(N([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000220360295 557292874 /nfs/dbraw/zinc/29/28/74/557292874.db2.gz FCROURBYTAEPTM-GOSISDBHSA-N 0 0 449.016 4.284 40 0 IIABRN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1Cl ZINC000220364303 557292921 /nfs/dbraw/zinc/29/29/21/557292921.db2.gz UHMYHLMDELDNPB-GFCCVEGCSA-N 0 0 434.867 4.460 40 0 IIABRN C[C@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000220375106 557293410 /nfs/dbraw/zinc/29/34/10/557293410.db2.gz YVWZPHZTTXGVTK-CYBMUJFWSA-N 0 0 448.894 4.172 40 0 IIABRN C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220479330 557296996 /nfs/dbraw/zinc/29/69/96/557296996.db2.gz WOFUVTVCFMCOAH-MRXNPFEDSA-N 0 0 428.485 4.411 40 0 IIABRN CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220504025 557297884 /nfs/dbraw/zinc/29/78/84/557297884.db2.gz ILVHSQXGONIVIP-HSZRJFAPSA-N 0 0 428.598 4.021 40 0 IIABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083498 557299671 /nfs/dbraw/zinc/29/96/71/557299671.db2.gz LVVQPTLQJUGVAQ-UHFFFAOYSA-N 0 0 432.933 4.366 40 0 IIABRN CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220567047 557301020 /nfs/dbraw/zinc/30/10/20/557301020.db2.gz KVFYEOKALQONQX-XMMPIXPASA-N 0 0 442.625 4.329 40 0 IIABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccnc2)c1 ZINC000013151074 557302194 /nfs/dbraw/zinc/30/21/94/557302194.db2.gz ZGAFFMNXAFJSEH-XMMPIXPASA-N 0 0 444.535 4.322 40 0 IIABRN CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220599660 557302227 /nfs/dbraw/zinc/30/22/27/557302227.db2.gz RRXQDAOWNBNVOD-NRFANRHFSA-N 0 0 440.540 4.276 40 0 IIABRN CC[C@@H](NC(=O)[C@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000220634363 557303820 /nfs/dbraw/zinc/30/38/20/557303820.db2.gz VKJSOFOVIWLXDN-YADHBBJMSA-N 0 0 432.586 4.124 40 0 IIABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220652443 557304345 /nfs/dbraw/zinc/30/43/45/557304345.db2.gz 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CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220713113 557309148 /nfs/dbraw/zinc/30/91/48/557309148.db2.gz BFZLPLPXASGNGG-MRXNPFEDSA-N 0 0 445.368 4.494 40 0 IIABRN CCOc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000113962410 557311404 /nfs/dbraw/zinc/31/14/04/557311404.db2.gz FWUSKWDQQQKUTH-LJQANCHMSA-N 0 0 432.586 4.126 40 0 IIABRN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000113971709 557311922 /nfs/dbraw/zinc/31/19/22/557311922.db2.gz DQDCDYSAFRTLGH-UGKGYDQZSA-N 0 0 447.000 4.076 40 0 IIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000220754692 557311988 /nfs/dbraw/zinc/31/19/88/557311988.db2.gz GVTPLZUFCNVLOY-HNNXBMFYSA-N 0 0 431.341 4.185 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1OC ZINC000032604178 557314406 /nfs/dbraw/zinc/31/44/06/557314406.db2.gz GTFOXXZPBXJQLA-UHFFFAOYSA-N 0 0 428.489 4.167 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1Cl ZINC000032604434 557314452 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IIABRN COc1cccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@@H]3C)nnc2-c2cccnc2)c1 ZINC000013513239 557334588 /nfs/dbraw/zinc/33/45/88/557334588.db2.gz QCDMNMPYQPIHTI-CALCHBBNSA-N 0 0 437.569 4.220 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000222401199 557338253 /nfs/dbraw/zinc/33/82/53/557338253.db2.gz SZLFRJPSQLXRBF-INIZCTEOSA-N 0 0 449.414 4.154 40 0 IIABRN CCN(c1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1)S(=O)(=O)CC ZINC000222403020 557338500 /nfs/dbraw/zinc/33/85/00/557338500.db2.gz PHLZGNVIMJOXTA-HXUWFJFHSA-N 0 0 430.570 4.203 40 0 IIABRN CCc1cc2ccc(OC)cc2nc1SCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000013503566 557338696 /nfs/dbraw/zinc/33/86/96/557338696.db2.gz HYYJFRPZESWSKX-UHFFFAOYSA-N 0 0 440.565 4.274 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222434655 557339970 /nfs/dbraw/zinc/33/99/70/557339970.db2.gz LCMFDHOUVXUNEM-LJQANCHMSA-N 0 0 443.547 4.052 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222434707 557339990 /nfs/dbraw/zinc/33/99/90/557339990.db2.gz LCMFDHOUVXUNEM-IBGZPJMESA-N 0 0 443.547 4.052 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222449449 557340433 /nfs/dbraw/zinc/34/04/33/557340433.db2.gz RGFAXBBROHYBSA-QFIPXVFZSA-N 0 0 440.584 4.277 40 0 IIABRN CNc1c(Br)cncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000072210946 557341080 /nfs/dbraw/zinc/34/10/80/557341080.db2.gz MXSQNEWTQGATON-UHFFFAOYSA-N 0 0 446.370 4.277 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000222473039 557342162 /nfs/dbraw/zinc/34/21/62/557342162.db2.gz RVXHJMJMWLMQDC-YKSBVNFPSA-N 0 0 440.584 4.413 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(Cl)c1 ZINC000222491603 557343150 /nfs/dbraw/zinc/34/31/50/557343150.db2.gz ZFORQNUGKAPCJQ-CQSZACIVSA-N 0 0 425.381 4.390 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(Cl)c1 ZINC000222491662 557343199 /nfs/dbraw/zinc/34/31/99/557343199.db2.gz ZFORQNUGKAPCJQ-AWEZNQCLSA-N 0 0 425.381 4.390 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000222492269 557343445 /nfs/dbraw/zinc/34/34/45/557343445.db2.gz ICBGNMOUYUQAPG-AUSIDOKSSA-N 0 0 426.557 4.105 40 0 IIABRN CCOc1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222499922 557344883 /nfs/dbraw/zinc/34/48/83/557344883.db2.gz NFFKFUDQXKTGTJ-KRWDZBQOSA-N 0 0 428.913 4.061 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222533938 557348053 /nfs/dbraw/zinc/34/80/53/557348053.db2.gz YJFUDPVSDWXYQH-RDPSFJRHSA-N 0 0 440.584 4.413 40 0 IIABRN CN(c1cccc(C(=O)NCCCc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1 ZINC000222535468 557348059 /nfs/dbraw/zinc/34/80/59/557348059.db2.gz VWPYKHCEASFKBE-UHFFFAOYSA-N 0 0 426.513 4.013 40 0 IIABRN Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000222538458 557348612 /nfs/dbraw/zinc/34/86/12/557348612.db2.gz RUAVYZDYPDLMRS-IBGZPJMESA-N 0 0 438.549 4.017 40 0 IIABRN COc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)c(OC)c1 ZINC000222541269 557349113 /nfs/dbraw/zinc/34/91/13/557349113.db2.gz BZYPIXDMXOJHCV-UHFFFAOYSA-N 0 0 440.521 4.090 40 0 IIABRN CN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584720 557349542 /nfs/dbraw/zinc/34/95/42/557349542.db2.gz SSGRLOWTIQMVGK-UHFFFAOYSA-N 0 0 430.913 4.183 40 0 IIABRN CCOc1ccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000222549036 557349836 /nfs/dbraw/zinc/34/98/36/557349836.db2.gz WXJGBWGIMNOIAN-UHFFFAOYSA-N 0 0 438.549 4.149 40 0 IIABRN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000222551576 557350211 /nfs/dbraw/zinc/35/02/11/557350211.db2.gz LEUOVDMMEZCTOH-PGRDOPGGSA-N 0 0 434.561 4.218 40 0 IIABRN CCN(c1ccc(OCC(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585250 557350298 /nfs/dbraw/zinc/35/02/98/557350298.db2.gz WEMHCPMFEQDAOU-UHFFFAOYSA-N 0 0 430.570 4.038 40 0 IIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222562984 557352786 /nfs/dbraw/zinc/35/27/86/557352786.db2.gz 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O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1 ZINC000072378328 557389396 /nfs/dbraw/zinc/38/93/96/557389396.db2.gz HWXAYBOTHKDARM-QFIPXVFZSA-N 0 0 445.972 4.352 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F ZINC000222845424 557393081 /nfs/dbraw/zinc/39/30/81/557393081.db2.gz GKLFDCJWQJZOJJ-QFIPXVFZSA-N 0 0 446.588 4.400 40 0 IIABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000013841889 557394865 /nfs/dbraw/zinc/39/48/65/557394865.db2.gz LVZNKHWUNNXONE-UHFFFAOYSA-N 0 0 432.933 4.270 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222861139 557395316 /nfs/dbraw/zinc/39/53/16/557395316.db2.gz DTFQPAIVKSYNAI-HXUWFJFHSA-N 0 0 430.548 4.381 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)NCc1cc(CC)ccc1CC)S(C)(=O)=O ZINC000222865082 557395805 /nfs/dbraw/zinc/39/58/05/557395805.db2.gz OZPMTFHVPUGRJD-UHFFFAOYSA-N 0 0 446.613 4.073 40 0 IIABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2cccc3ccccc32)CC1 ZINC000222868860 557396010 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4.059 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222912646 557401710 /nfs/dbraw/zinc/40/17/10/557401710.db2.gz SFHISUVWAXYPLP-INIZCTEOSA-N 0 0 449.938 4.007 40 0 IIABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222922227 557403132 /nfs/dbraw/zinc/40/31/32/557403132.db2.gz IEBRDGCQJMJEJR-FQEVSTJZSA-N 0 0 428.548 4.107 40 0 IIABRN COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000222926507 557404212 /nfs/dbraw/zinc/40/42/12/557404212.db2.gz AUYVYORNPRUWAQ-UHFFFAOYSA-N 0 0 445.566 4.122 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1C ZINC000222930607 557404539 /nfs/dbraw/zinc/40/45/39/557404539.db2.gz VFKZRRAXZBJKQE-OALUTQOASA-N 0 0 428.598 4.214 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222931351 557404779 /nfs/dbraw/zinc/40/47/79/557404779.db2.gz KSIMSADZYDOVBY-DEOSSOPVSA-N 0 0 440.584 4.229 40 0 IIABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222945065 557406933 /nfs/dbraw/zinc/40/69/33/557406933.db2.gz HNCAOHKRFWCMEB-FCHUYYIVSA-N 0 0 434.565 4.287 40 0 IIABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000222981025 557410981 /nfs/dbraw/zinc/41/09/81/557410981.db2.gz XOFBQGLLKXOVBZ-QGZVFWFLSA-N 0 0 440.521 4.281 40 0 IIABRN C[C@H](NC(=O)COc1ccc(I)cc1)c1ccc2c(c1)CCCC2 ZINC000222981367 557411039 /nfs/dbraw/zinc/41/10/39/557411039.db2.gz CDEQRMMKQNYTRD-AWEZNQCLSA-N 0 0 435.305 4.426 40 0 IIABRN C[C@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222989903 557412830 /nfs/dbraw/zinc/41/28/30/557412830.db2.gz OFRUYZVAXOFIIH-KRWDZBQOSA-N 0 0 432.561 4.128 40 0 IIABRN C[C@@H](Cn1cnc2c3cc(F)ccc3n(CC(=O)NC(C)(C)C)c2c1=O)c1ccccc1 ZINC000014000789 557417371 /nfs/dbraw/zinc/41/73/71/557417371.db2.gz NBUFDZMPTBJYRY-INIZCTEOSA-N 0 0 434.515 4.209 40 0 IIABRN COc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)cc1 ZINC000014082921 557419000 /nfs/dbraw/zinc/41/90/00/557419000.db2.gz POEKJAITLIXLTH-UHFFFAOYSA-N 0 0 437.550 4.345 40 0 IIABRN COc1cccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223045967 557420543 /nfs/dbraw/zinc/42/05/43/557420543.db2.gz NYLKEAYXXFQQCP-IBGZPJMESA-N 0 0 426.557 4.023 40 0 IIABRN Cc1ccccc1CSCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000014153750 557424220 /nfs/dbraw/zinc/42/42/20/557424220.db2.gz QJLJSCCNTBYVRT-UHFFFAOYSA-N 0 0 440.590 4.459 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223067667 557425343 /nfs/dbraw/zinc/42/53/43/557425343.db2.gz SRQWXUBLLMGKJO-KRWDZBQOSA-N 0 0 431.374 4.162 40 0 IIABRN COc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223083804 557428398 /nfs/dbraw/zinc/42/83/98/557428398.db2.gz MQMLFVTYAJKQFG-IBGZPJMESA-N 0 0 426.557 4.023 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223084908 557428671 /nfs/dbraw/zinc/42/86/71/557428671.db2.gz OOWUSKLDTBJXDB-FQEVSTJZSA-N 0 0 440.584 4.278 40 0 IIABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc32)c1 ZINC000223085012 557428694 /nfs/dbraw/zinc/42/86/94/557428694.db2.gz ZUJLIWRUBOKNIK-UHFFFAOYSA-N 0 0 428.488 4.247 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(OC)cc1 ZINC000223089639 557429616 /nfs/dbraw/zinc/42/96/16/557429616.db2.gz INTHUYSXKQRDBG-QZTJIDSGSA-N 0 0 446.588 4.400 40 0 IIABRN COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1Cl ZINC000223101287 557431603 /nfs/dbraw/zinc/43/16/03/557431603.db2.gz OKKHKAJOICTWSY-UHFFFAOYSA-N 0 0 433.689 4.234 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000223119060 557434143 /nfs/dbraw/zinc/43/41/43/557434143.db2.gz VBVKRIBOADGBSF-VWLOTQADSA-N 0 0 444.575 4.458 40 0 IIABRN COc1ccc(OCCCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223118975 557434214 /nfs/dbraw/zinc/43/42/14/557434214.db2.gz NBZRJBVVMSQFSS-FQEVSTJZSA-N 0 0 440.584 4.229 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014396327 557434948 /nfs/dbraw/zinc/43/49/48/557434948.db2.gz BXQMZSWJSVMHDZ-UHFFFAOYSA-N 0 0 440.924 4.161 40 0 IIABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccccc1F ZINC000223129412 557435848 /nfs/dbraw/zinc/43/58/48/557435848.db2.gz ZLXODUOIUAIXHU-GOSISDBHSA-N 0 0 430.589 4.433 40 0 IIABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223131332 557436395 /nfs/dbraw/zinc/43/63/95/557436395.db2.gz YGGFSASRDQEJAX-JOCHJYFZSA-N 0 0 430.976 4.089 40 0 IIABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC)c3ccc4c(c3)CCCC4)ccc21 ZINC000223137835 557437556 /nfs/dbraw/zinc/43/75/56/557437556.db2.gz LPFHQVIGLYKRSG-QFIPXVFZSA-N 0 0 426.582 4.294 40 0 IIABRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccc2c(c1)CCCC2 ZINC000223145509 557438761 /nfs/dbraw/zinc/43/87/61/557438761.db2.gz UGNZUJNSRGDTJQ-LJQANCHMSA-N 0 0 430.595 4.391 40 0 IIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000223168682 557440811 /nfs/dbraw/zinc/44/08/11/557440811.db2.gz AHDSTNJUYWHNTD-HAHDFKILSA-N 0 0 442.544 4.330 40 0 IIABRN C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)CCC2 ZINC000223172941 557441256 /nfs/dbraw/zinc/44/12/56/557441256.db2.gz ZCILYUCJRDWVES-GOSISDBHSA-N 0 0 434.561 4.491 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1F ZINC000223175913 557441747 /nfs/dbraw/zinc/44/17/47/557441747.db2.gz SURXCLLRXUOCKF-XMMPIXPASA-N 0 0 448.538 4.289 40 0 IIABRN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 ZINC000223188498 557443376 /nfs/dbraw/zinc/44/33/76/557443376.db2.gz PTFASOFYJAFAQZ-OAHLLOKOSA-N 0 0 432.973 4.104 40 0 IIABRN O=C(Nc1ccc(C(=O)Nn2cnnc2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000014405715 557443558 /nfs/dbraw/zinc/44/35/58/557443558.db2.gz VKTLHRNTFITMCY-UHFFFAOYSA-N 0 0 432.292 4.436 40 0 IIABRN C[C@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223190442 557443650 /nfs/dbraw/zinc/44/36/50/557443650.db2.gz CEDVUFZPBLHOHJ-KRWDZBQOSA-N 0 0 428.598 4.116 40 0 IIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000026111074 557443911 /nfs/dbraw/zinc/44/39/11/557443911.db2.gz NJIASGCGSSWDAL-VMPITWQZSA-N 0 0 425.381 4.154 40 0 IIABRN CCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414718 557445647 /nfs/dbraw/zinc/44/56/47/557445647.db2.gz QLVGEJDRYTXVSX-UHFFFAOYSA-N 0 0 443.396 4.246 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223209990 557446398 /nfs/dbraw/zinc/44/63/98/557446398.db2.gz WHYVDDSNDOFXSV-YCRPNKLZSA-N 0 0 434.989 4.251 40 0 IIABRN COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1 ZINC000223259570 557451989 /nfs/dbraw/zinc/45/19/89/557451989.db2.gz QMGMKZRAGXVDOX-AREMUKBSSA-N 0 0 430.548 4.014 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000223267590 557453375 /nfs/dbraw/zinc/45/33/75/557453375.db2.gz JZHGWJUMHOLIKT-SANMLTNESA-N 0 0 444.575 4.458 40 0 IIABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2N1C(=O)c1ccccc1 ZINC000223267589 557453393 /nfs/dbraw/zinc/45/33/93/557453393.db2.gz 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COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223351870 557461426 /nfs/dbraw/zinc/46/14/26/557461426.db2.gz BJYNSFNIPLYJHV-AREMUKBSSA-N 0 0 430.548 4.152 40 0 IIABRN COc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000015398065 557461556 /nfs/dbraw/zinc/46/15/56/557461556.db2.gz CKBHUOHXFGUCLX-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015578987 557462857 /nfs/dbraw/zinc/46/28/57/557462857.db2.gz CPWONBOUFXNNDK-GFCCVEGCSA-N 0 0 431.316 4.172 40 0 IIABRN Cc1cc(OCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)ccc1Cl ZINC000015787515 557463665 /nfs/dbraw/zinc/46/36/65/557463665.db2.gz AMSXLPGQDDCECD-UHFFFAOYSA-N 0 0 434.792 4.072 40 0 IIABRN CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)c1 ZINC000223376834 557464757 /nfs/dbraw/zinc/46/47/57/557464757.db2.gz YQFBKFFGTWGNEJ-UHFFFAOYSA-N 0 0 434.517 4.201 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C ZINC000223414022 557468889 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CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)sc2c1 ZINC000016575628 557474337 /nfs/dbraw/zinc/47/43/37/557474337.db2.gz XBQQOGQAZLMSPQ-UHFFFAOYSA-N 0 0 428.539 4.169 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223468656 557475428 /nfs/dbraw/zinc/47/54/28/557475428.db2.gz GAVKBURCZSINNJ-INIZCTEOSA-N 0 0 434.939 4.364 40 0 IIABRN Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223471782 557475800 /nfs/dbraw/zinc/47/58/00/557475800.db2.gz XSQUVZGFYYONDH-GOTSBHOMSA-N 0 0 427.533 4.146 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1OC ZINC000223470702 557475833 /nfs/dbraw/zinc/47/58/33/557475833.db2.gz KPCLZTHFEKFPPI-SZHLLGMXSA-N 0 0 434.492 4.254 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000223475363 557476467 /nfs/dbraw/zinc/47/64/67/557476467.db2.gz HJIAAVQFANLHAP-UTKZUKDTSA-N 0 0 434.989 4.296 40 0 IIABRN COc1ccc(N(CCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000223484114 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CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCCOCC)c1ccccc1 ZINC000223552191 557485041 /nfs/dbraw/zinc/48/50/41/557485041.db2.gz FGFOVWYGJMALOO-XMMPIXPASA-N 0 0 426.557 4.108 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000223556373 557485447 /nfs/dbraw/zinc/48/54/47/557485447.db2.gz RHUUQCJNYSTULR-XMMPIXPASA-N 0 0 431.536 4.133 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccccc2Cl)cc1 ZINC000223561908 557486266 /nfs/dbraw/zinc/48/62/66/557486266.db2.gz UQOLNQARYIXMHS-UHFFFAOYSA-N 0 0 432.973 4.460 40 0 IIABRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2Cl)CC1 ZINC000017100766 557489296 /nfs/dbraw/zinc/48/92/96/557489296.db2.gz NDZRKPASXRUNOA-UHFFFAOYSA-N 0 0 436.737 4.023 40 0 IIABRN OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000223590831 557489588 /nfs/dbraw/zinc/48/95/88/557489588.db2.gz YVVIYJUOTXLFLU-MOPGFXCFSA-N 0 0 431.970 4.444 40 0 IIABRN COc1cc(OC)c(OC)c([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)c1 ZINC000017101400 557490347 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Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc4C3)cc2c1 ZINC000019220817 557498126 /nfs/dbraw/zinc/49/81/26/557498126.db2.gz CBJHLJRYTSEVFE-DEOSSOPVSA-N 0 0 440.551 4.086 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223662841 557499224 /nfs/dbraw/zinc/49/92/24/557499224.db2.gz NJMFKCZUGRVTKA-QHCPKHFHSA-N 0 0 440.584 4.359 40 0 IIABRN CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(C(=O)N4CCCCC4)cc3)ccc2O1 ZINC000223669102 557499697 /nfs/dbraw/zinc/49/96/97/557499697.db2.gz AAQZPDVFUBBYRY-UHFFFAOYSA-N 0 0 428.554 4.217 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000223673828 557500506 /nfs/dbraw/zinc/50/05/06/557500506.db2.gz DZDHSVFXNHQHHZ-UHFFFAOYSA-N 0 0 438.505 4.308 40 0 IIABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 ZINC000019637566 557503253 /nfs/dbraw/zinc/50/32/53/557503253.db2.gz DLZLYESGAATHIJ-UHFFFAOYSA-N 0 0 442.972 4.417 40 0 IIABRN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000223700995 557503886 /nfs/dbraw/zinc/50/38/86/557503886.db2.gz RKXGTMOFERZFCN-CQSZACIVSA-N 0 0 426.332 4.038 40 0 IIABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000019643432 557504511 /nfs/dbraw/zinc/50/45/11/557504511.db2.gz VMSXCHRYQYALNQ-UHFFFAOYSA-N 0 0 445.500 4.013 40 0 IIABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccccc1I ZINC000019646837 557505420 /nfs/dbraw/zinc/50/54/20/557505420.db2.gz SNSKDKRZPCZDJR-UHFFFAOYSA-N 0 0 448.285 4.277 40 0 IIABRN COc1cccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)c1 ZINC000019631176 557507021 /nfs/dbraw/zinc/50/70/21/557507021.db2.gz BJLLNKHJHFFQBX-UHFFFAOYSA-N 0 0 440.306 4.043 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223735854 557507378 /nfs/dbraw/zinc/50/73/78/557507378.db2.gz HOPNZXOMQFUHNN-VXKWHMMOSA-N 0 0 439.512 4.406 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223734470 557507450 /nfs/dbraw/zinc/50/74/50/557507450.db2.gz YALIQWFKWVAWIW-SANMLTNESA-N 0 0 444.575 4.404 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000223739073 557507644 /nfs/dbraw/zinc/50/76/44/557507644.db2.gz YUIGHAMPAXKRHP-UHFFFAOYSA-N 0 0 448.972 4.161 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223747711 557508658 /nfs/dbraw/zinc/50/86/58/557508658.db2.gz FRRUACOIIDPREC-QFIPXVFZSA-N 0 0 446.975 4.451 40 0 IIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000223754359 557509387 /nfs/dbraw/zinc/50/93/87/557509387.db2.gz IOPUMWHPTWDQQZ-AJSBUHFISA-N 0 0 434.565 4.248 40 0 IIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000223754270 557509394 /nfs/dbraw/zinc/50/93/94/557509394.db2.gz IOPUMWHPTWDQQZ-VJBMBRPKSA-N 0 0 434.565 4.248 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000223769131 557510793 /nfs/dbraw/zinc/51/07/93/557510793.db2.gz UPCINHCGIZYCAJ-SANMLTNESA-N 0 0 444.575 4.322 40 0 IIABRN Cc1ccc(N(CCCC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1C ZINC000223771934 557511170 /nfs/dbraw/zinc/51/11/70/557511170.db2.gz IRVHOGOBFPTICQ-UHFFFAOYSA-N 0 0 446.613 4.168 40 0 IIABRN CCOc1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 ZINC000223791190 557513915 /nfs/dbraw/zinc/51/39/15/557513915.db2.gz JZYWLWCTZWNCNC-UHFFFAOYSA-N 0 0 434.583 4.234 40 0 IIABRN COCc1cccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000223800142 557515077 /nfs/dbraw/zinc/51/50/77/557515077.db2.gz POOXGRPSDUPIME-UHFFFAOYSA-N 0 0 438.549 4.284 40 0 IIABRN Cc1cccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806761 557515412 /nfs/dbraw/zinc/51/54/12/557515412.db2.gz APGKTKPLDPKOLP-IBGZPJMESA-N 0 0 436.552 4.132 40 0 IIABRN Cc1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813592 557516510 /nfs/dbraw/zinc/51/65/10/557516510.db2.gz WXDJZHQMLWTXMB-LJQANCHMSA-N 0 0 436.552 4.132 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1cccc2ccccc21 ZINC000020239285 557519217 /nfs/dbraw/zinc/51/92/17/557519217.db2.gz XAZQLXWEAIEMDF-UHFFFAOYSA-N 0 0 437.348 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IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223275024 193961408 /nfs/dbraw/zinc/96/14/08/193961408.db2.gz LUORHUWTMOTULL-RUZDIDTESA-N 0 0 430.548 4.014 40 0 IIABRN COc1cc2c(cc1S(=O)(=O)NCCSCc1ccccc1Cl)CCCC2 ZINC000223292559 193963751 /nfs/dbraw/zinc/96/37/51/193963751.db2.gz DDPNCFLOGGEKST-UHFFFAOYSA-N 0 0 426.003 4.439 40 0 IIABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223318829 193966113 /nfs/dbraw/zinc/96/61/13/193966113.db2.gz IOCQGPYMAKDOMW-PMOQBDJRSA-N 0 0 434.565 4.032 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000223351221 193970189 /nfs/dbraw/zinc/97/01/89/193970189.db2.gz WPAVDRBQCCADPC-FQEVSTJZSA-N 0 0 442.625 4.101 40 0 IIABRN COc1ccc2nc3sc(C(=O)Nc4ccccc4N4CCOCC4)c(N)c3cc2c1 ZINC000013503436 132347180 /nfs/dbraw/zinc/34/71/80/132347180.db2.gz MQDFVLKHPVGNRW-UHFFFAOYSA-N 0 0 434.521 4.129 40 0 IIABRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013503875 132347450 /nfs/dbraw/zinc/34/74/50/132347450.db2.gz CHLJWKWTTWPIPK-VWLOTQADSA-N 0 0 446.599 4.325 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2cc(C)ccc2C)CC1 ZINC000013504152 132347756 /nfs/dbraw/zinc/34/77/56/132347756.db2.gz NDCFMIDQSHDULS-XMMPIXPASA-N 0 0 448.615 4.355 40 0 IIABRN COc1ccc([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc1OC ZINC000013567549 132350464 /nfs/dbraw/zinc/35/04/64/132350464.db2.gz QIRNVMIOXIIXCZ-HNNXBMFYSA-N 0 0 433.382 4.054 40 0 IIABRN O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000013611769 132351922 /nfs/dbraw/zinc/35/19/22/132351922.db2.gz XSVZNLFYKFGUMF-UHFFFAOYSA-N 0 0 434.849 4.436 40 0 IIABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)Oc2ccccc21 ZINC000013678371 132353110 /nfs/dbraw/zinc/35/31/10/132353110.db2.gz MZSRLDAGDPAEMY-MRXNPFEDSA-N 0 0 449.743 4.203 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)c(Cl)c1 ZINC000012870628 518746649 /nfs/dbraw/zinc/74/66/49/518746649.db2.gz QGZDUKRKPPLFEW-QGZVFWFLSA-N 0 0 447.923 4.028 40 0 IIABRN CC(C)C[C@H](NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O)c1ccccc1 ZINC000022398380 519384702 /nfs/dbraw/zinc/38/47/02/519384702.db2.gz LMNVTJYOFHEFBH-QFIPXVFZSA-N 0 0 432.586 4.143 40 0 IIABRN CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)N2CCCC2)C(=O)C(C)(C)O3)cc1 ZINC000012875758 519837745 /nfs/dbraw/zinc/83/77/45/519837745.db2.gz OLKBTZRPFRGMQM-UHFFFAOYSA-N 0 0 449.551 4.189 40 0 IIABRN CC(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(c3ccc(Cl)cc3)[C@H]2C(=O)C(F)(F)F)cc1 ZINC000035023532 519839582 /nfs/dbraw/zinc/83/95/82/519839582.db2.gz ZZWMKFSCDHOYDN-FUHIMQAGSA-N 0 0 440.849 4.410 40 0 IIABRN CCOCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 ZINC000012256263 520189242 /nfs/dbraw/zinc/18/92/42/520189242.db2.gz IIGOCJNWFVGXAU-GOSISDBHSA-N 0 0 435.499 4.029 40 0 IIABRN CCCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000022383559 520384057 /nfs/dbraw/zinc/38/40/57/520384057.db2.gz IRKMAYAJYHZKDW-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccccc2OCC)[C@H](C(=O)OCC)C1=O ZINC000020675241 520600851 /nfs/dbraw/zinc/60/08/51/520600851.db2.gz GLUGBDAHLBFQCU-FCHUYYIVSA-N 0 0 435.524 4.350 40 0 IIABRN CCOc1ccc(CCNC(=O)c2cccnc2NCc2ccccc2OC)cc1OCC ZINC000022072043 520955034 /nfs/dbraw/zinc/95/50/34/520955034.db2.gz ZKADDUSYBUYOQB-UHFFFAOYSA-N 0 0 449.551 4.472 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000020461086 521217636 /nfs/dbraw/zinc/21/76/36/521217636.db2.gz SAIUWEBFLZSTII-QGZVFWFLSA-N 0 0 432.586 4.026 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000020493919 521222117 /nfs/dbraw/zinc/22/21/17/521222117.db2.gz NJMZOZFKTNKPBE-GOSISDBHSA-N 0 0 438.549 4.401 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000020461087 521252537 /nfs/dbraw/zinc/25/25/37/521252537.db2.gz SAIUWEBFLZSTII-KRWDZBQOSA-N 0 0 432.586 4.026 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000020038047 521253535 /nfs/dbraw/zinc/25/35/35/521253535.db2.gz RQBGKBVANHHVCM-MGPUTAFESA-N 0 0 438.977 4.161 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1OC)N(C(=O)c1csnn1)c1ccccc1 ZINC000012868179 521336585 /nfs/dbraw/zinc/33/65/85/521336585.db2.gz CUCLDQBXLVRKPI-HXUWFJFHSA-N 0 0 438.553 4.240 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1ccc(Cl)cc1)C(=O)c1csnn1 ZINC000012872473 521338319 /nfs/dbraw/zinc/33/83/19/521338319.db2.gz AJTLFAKYHKJISJ-GOSISDBHSA-N 0 0 446.960 4.473 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 ZINC000012870522 521345491 /nfs/dbraw/zinc/34/54/91/521345491.db2.gz SGAJTYZSDSTOSS-SFHVURJKSA-N 0 0 443.960 4.279 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 ZINC000012870530 521345694 /nfs/dbraw/zinc/34/56/94/521345694.db2.gz HRUQMORZQLSCCN-SFHVURJKSA-N 0 0 443.960 4.279 40 0 IIABRN CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccc(C)o2)C1 ZINC000012156807 521356664 /nfs/dbraw/zinc/35/66/64/521356664.db2.gz XJOZLFXTECUACO-CYFREDJKSA-N 0 0 442.487 4.096 40 0 IIABRN CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256123 521446470 /nfs/dbraw/zinc/44/64/70/521446470.db2.gz NTYBOIXIOAVRAI-HXUWFJFHSA-N 0 0 434.540 4.319 40 0 IIABRN CCCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000022256535 521692541 /nfs/dbraw/zinc/69/25/41/521692541.db2.gz MHCAZINIALZCIQ-UHFFFAOYSA-N 0 0 435.933 4.308 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223712482 521743235 /nfs/dbraw/zinc/74/32/35/521743235.db2.gz QPHGTIMDWIPPCS-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1C)N(c1ccccc1)S(C)(=O)=O ZINC000022531881 521857797 /nfs/dbraw/zinc/85/77/97/521857797.db2.gz LRYCJYPGXMUEGW-ZEQRLZLVSA-N 0 0 436.577 4.445 40 0 IIABRN COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020488216 522237408 /nfs/dbraw/zinc/23/74/08/522237408.db2.gz MFUBXIACBJJQJW-UHFFFAOYSA-N 0 0 444.896 4.180 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000020483595 522373577 /nfs/dbraw/zinc/37/35/77/522373577.db2.gz JGCFMGMLBRZSOF-IBGZPJMESA-N 0 0 438.977 4.162 40 0 IIABRN CC[C@@H](NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022429691 522685746 /nfs/dbraw/zinc/68/57/46/522685746.db2.gz VDOPTQSQWVIYKQ-OAQYLSRUSA-N 0 0 438.549 4.158 40 0 IIABRN CC[C@@H](NC(=O)N1c2ccc(OC)cc2C(C)=CC1(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000018180366 522718298 /nfs/dbraw/zinc/71/82/98/522718298.db2.gz BFHXDJANXSZYOJ-WFXMLNOXSA-N 0 0 439.556 4.318 40 0 IIABRN COC(=O)C(C(=O)OC)[C@@H](c1ccc(Br)cc1)[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000015318953 522749738 /nfs/dbraw/zinc/74/97/38/522749738.db2.gz GEFAUBHMESLLAT-RDTXWAMCSA-N 0 0 447.325 4.322 40 0 IIABRN COc1cc([C@H]2C[C@@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000020518118 522963604 /nfs/dbraw/zinc/96/36/04/522963604.db2.gz LCDPJXWAINCJQE-OSPHWJPCSA-N 0 0 427.497 4.168 40 0 IIABRN COc1ccc(-c2cc([C@@H]3CCCCCN3S(=O)(=O)c3cccnc3)no2)cc1OC ZINC000012144146 523115336 /nfs/dbraw/zinc/11/53/36/523115336.db2.gz ZIHXGKPBCCGOJH-IBGZPJMESA-N 0 0 443.525 4.060 40 0 IIABRN CN(Cc1ccc(Cl)cc1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000022514459 523225549 /nfs/dbraw/zinc/22/55/49/523225549.db2.gz FDHJNGMMHDQHDL-UHFFFAOYSA-N 0 0 428.941 4.441 40 0 IIABRN COc1ccc(-c2nsc3c2ncnc3SCC(=O)NCc2cccs2)cc1 ZINC000035289459 523306791 /nfs/dbraw/zinc/30/67/91/523306791.db2.gz FWUVMNZGAIUJKX-UHFFFAOYSA-N 0 0 428.564 4.232 40 0 IIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccnc(OC)c4)C3)cc2N1 ZINC000012183586 523566302 /nfs/dbraw/zinc/56/63/02/523566302.db2.gz GQNIFRWVLKTBND-ZMSDIMECSA-N 0 0 437.466 4.004 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSC(C)(C)C)cc1OC ZINC000225825193 523618649 /nfs/dbraw/zinc/61/86/49/523618649.db2.gz DOHJIMFDYALDMN-VKAVYKQESA-N 0 0 448.610 4.184 40 0 IIABRN COc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(Br)cc32)cc1OC ZINC000012707618 523879641 /nfs/dbraw/zinc/87/96/41/523879641.db2.gz LJLXRNRCANCFDN-UHFFFAOYSA-N 0 0 437.297 4.295 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@H](c3nc4sc5c(c4c(=O)[nH]3)CCCC5)C2)cc1 ZINC000012129157 523893442 /nfs/dbraw/zinc/89/34/42/523893442.db2.gz CVMSIOUHMOONQX-INIZCTEOSA-N 0 0 437.565 4.233 40 0 IIABRN COc1ccc(CC(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)cc1 ZINC000012237525 523910601 /nfs/dbraw/zinc/91/06/01/523910601.db2.gz WATVNRDSOIBKGF-UHFFFAOYSA-N 0 0 436.475 4.043 40 0 IIABRN COc1ccc(CCNc2ncc(-c3cc(C)no3)c(-c3cccnc3C)n2)cc1OC ZINC000012088768 523979240 /nfs/dbraw/zinc/97/92/40/523979240.db2.gz BHYNQVHYPSMRIB-UHFFFAOYSA-N 0 0 431.496 4.482 40 0 IIABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCCC1 ZINC000012882097 524185877 /nfs/dbraw/zinc/18/58/77/524185877.db2.gz ZOGGXNXTEPCWJM-ROUUACIJSA-N 0 0 442.629 4.367 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1 ZINC000012230266 524203421 /nfs/dbraw/zinc/20/34/21/524203421.db2.gz PVLLOSPNUGJCTH-INIZCTEOSA-N 0 0 442.438 4.112 40 0 IIABRN COc1cccc2cc(C(=O)N(Cc3ccc(Cl)cc3)C[C@@H]3CCCO3)c(=O)oc21 ZINC000012645696 524258050 /nfs/dbraw/zinc/25/80/50/524258050.db2.gz TXYIAHLMYSTSGY-SFHVURJKSA-N 0 0 427.884 4.276 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1C ZINC000022539922 524329835 /nfs/dbraw/zinc/32/98/35/524329835.db2.gz BQURBUKVGAFFHY-RTBURBONSA-N 0 0 432.561 4.029 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000022536025 524331235 /nfs/dbraw/zinc/33/12/35/524331235.db2.gz SQFXENPRWLAEOA-HNNXBMFYSA-N 0 0 443.396 4.417 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1C ZINC000022536754 524334088 /nfs/dbraw/zinc/33/40/88/524334088.db2.gz NENTWSYEQTZUIT-IBGZPJMESA-N 0 0 444.597 4.089 40 0 IIABRN Cc1cccc(CCN(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)c1 ZINC000012872701 524353662 /nfs/dbraw/zinc/35/36/62/524353662.db2.gz HIBQVAZGACBIJQ-OAQYLSRUSA-N 0 0 436.581 4.187 40 0 IIABRN COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)cc1OC ZINC000012480811 524358719 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CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408663061 556040390 /nfs/dbraw/zinc/04/03/90/556040390.db2.gz KQUPVLPEUSMBAA-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000408661908 556042773 /nfs/dbraw/zinc/04/27/73/556042773.db2.gz OXDSRQSNPUWVGS-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408663101 556045706 /nfs/dbraw/zinc/04/57/06/556045706.db2.gz YDEKELYUONTMCU-UIAACRFSSA-N 0 0 438.911 4.001 40 0 IIABRN CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000408663799 556047231 /nfs/dbraw/zinc/04/72/31/556047231.db2.gz OWPIZYPAJBQWBJ-UHFFFAOYSA-N 0 0 437.279 4.097 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000408664963 556048320 /nfs/dbraw/zinc/04/83/20/556048320.db2.gz QBPNTITXMGYNER-RVHYNSKXSA-N 0 0 448.519 4.025 40 0 IIABRN O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)Nc1cccc(Cl)c1 ZINC000408665143 556048863 /nfs/dbraw/zinc/04/88/63/556048863.db2.gz UPOITTPKJJOZDD-UHFFFAOYSA-N 0 0 439.693 4.003 40 0 IIABRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 ZINC000408665752 556049896 /nfs/dbraw/zinc/04/98/96/556049896.db2.gz WXGPMHSHECFPOA-UHFFFAOYSA-N 0 0 427.259 4.423 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1cc(Cl)ccc1Cl ZINC000408668185 556053213 /nfs/dbraw/zinc/05/32/13/556053213.db2.gz VAUXLEPRCCCLNE-LLVKDONJSA-N 0 0 441.698 4.182 40 0 IIABRN COc1cccc(-c2nnc(SC(=O)c3ccc(I)cc3)o2)c1 ZINC000408668283 556053694 /nfs/dbraw/zinc/05/36/94/556053694.db2.gz VWLCVFCFRDTICS-UHFFFAOYSA-N 0 0 438.246 4.282 40 0 IIABRN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(-c2ccccc2)cc1 ZINC000408670678 556058169 /nfs/dbraw/zinc/05/81/69/556058169.db2.gz JAQCUAULVDLUID-UHFFFAOYSA-N 0 0 435.277 4.351 40 0 IIABRN COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408669706 556058997 /nfs/dbraw/zinc/05/89/97/556058997.db2.gz YKDMOYMHXNARFU-UHFFFAOYSA-N 0 0 439.295 4.293 40 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444.535 4.037 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C(=O)N1CCCCC1 ZINC000408692984 556092758 /nfs/dbraw/zinc/09/27/58/556092758.db2.gz ACTJBXMDOATENB-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)NCCSC1CCCCC1)c1cccc(Cl)c1 ZINC000408695370 556097764 /nfs/dbraw/zinc/09/77/64/556097764.db2.gz SPWQLCZJUWMTIQ-UHFFFAOYSA-N 0 0 433.039 4.068 40 0 IIABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 ZINC000408693411 556098737 /nfs/dbraw/zinc/09/87/37/556098737.db2.gz SKWFVEUYQUYCSH-UHFFFAOYSA-N 0 0 430.570 4.383 40 0 IIABRN CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1S(=O)(=O)N1CCCC1 ZINC000408698112 556101416 /nfs/dbraw/zinc/10/14/16/556101416.db2.gz NSCPJGZZZCNYRU-UHFFFAOYSA-N 0 0 430.570 4.247 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cccc2C)C1 ZINC000408700362 556102329 /nfs/dbraw/zinc/10/23/29/556102329.db2.gz DQTZURZKILFULN-HXUWFJFHSA-N 0 0 444.597 4.475 40 0 IIABRN CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)NC(C)C ZINC000408700137 556103562 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437.495 4.434 40 0 IIABRN Cc1cc(Br)ccc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408736777 556204706 /nfs/dbraw/zinc/20/47/06/556204706.db2.gz HSDFJKVHMFEZAT-KRWDZBQOSA-N 0 0 435.343 4.408 40 0 IIABRN COc1cc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC ZINC000008828227 556224555 /nfs/dbraw/zinc/22/45/55/556224555.db2.gz QZAPSKIKZBBSOZ-UHFFFAOYSA-N 0 0 431.492 4.040 40 0 IIABRN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000009027218 556241662 /nfs/dbraw/zinc/24/16/62/556241662.db2.gz AYJVRWOHUNPXLO-UHFFFAOYSA-N 0 0 438.553 4.297 40 0 IIABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)o1 ZINC000009198669 556256797 /nfs/dbraw/zinc/25/67/97/556256797.db2.gz UPTXTXUICCHYPK-UHFFFAOYSA-N 0 0 441.509 4.253 40 0 IIABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 ZINC000013684765 556275431 /nfs/dbraw/zinc/27/54/31/556275431.db2.gz NOSFVLYDEJLBMA-FQEVSTJZSA-N 0 0 430.504 4.427 40 0 IIABRN CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013710997 556283915 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IIABRN Cc1ccc2c(c1)C(=O)NCC1(CCC(C(=O)NCCc3ccc(Cl)cc3)CC1)O2 ZINC000012087069 556400260 /nfs/dbraw/zinc/40/02/60/556400260.db2.gz RUHAHLAHTDIYGH-UHFFFAOYSA-N 0 0 426.944 4.059 40 0 IIABRN CCOc1ccc(CC(=O)N2CCC(c3nc4cc(OC)c(OC)cc4cc3N)CC2)cc1 ZINC000012087942 556400986 /nfs/dbraw/zinc/40/09/86/556400986.db2.gz JJTUVUHEIFPEOY-UHFFFAOYSA-N 0 0 449.551 4.182 40 0 IIABRN C[C@H](NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000014313399 556412997 /nfs/dbraw/zinc/41/29/97/556412997.db2.gz HGXFZINOAWREMY-NSHDSACASA-N 0 0 435.760 4.145 40 0 IIABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)o2)cc1 ZINC000039752914 556438653 /nfs/dbraw/zinc/43/86/53/556438653.db2.gz AZIJBHOXHNVWGN-UHFFFAOYSA-N 0 0 428.448 4.179 40 0 IIABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000014795232 556446296 /nfs/dbraw/zinc/44/62/96/556446296.db2.gz AQPHOFZFODFHPA-UHFFFAOYSA-N 0 0 431.323 4.325 40 0 IIABRN Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)nc2-c2ccco2)on1 ZINC000013226187 556499272 /nfs/dbraw/zinc/49/92/72/556499272.db2.gz ACNRXIYHSYRFNA-HNNXBMFYSA-N 0 0 430.464 4.155 40 0 IIABRN COc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1OC ZINC000030754268 556504171 /nfs/dbraw/zinc/50/41/71/556504171.db2.gz UGZISOFQBVQTFS-NSHDSACASA-N 0 0 428.710 4.376 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000030757374 556505112 /nfs/dbraw/zinc/50/51/12/556505112.db2.gz DGSZWAIIGYKNQH-HOTGVXAUSA-N 0 0 438.977 4.079 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000030757372 556505197 /nfs/dbraw/zinc/50/51/97/556505197.db2.gz DGSZWAIIGYKNQH-CVEARBPZSA-N 0 0 438.977 4.079 40 0 IIABRN O=C(NCCSc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015136548 556505874 /nfs/dbraw/zinc/50/58/74/556505874.db2.gz BOGBVFCFYDKLBF-UHFFFAOYSA-N 0 0 439.002 4.037 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030855191 556509857 /nfs/dbraw/zinc/50/98/57/556509857.db2.gz XNEJKZKASDATAE-CYBMUJFWSA-N 0 0 448.894 4.311 40 0 IIABRN CC[C@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000030866418 556512218 /nfs/dbraw/zinc/51/22/18/556512218.db2.gz FDLBLJUWHWNYQR-KXBFYZLASA-N 0 0 438.977 4.079 40 0 IIABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1)c1ccccc1 ZINC000030868255 556512823 /nfs/dbraw/zinc/51/28/23/556512823.db2.gz XOATVRYOHOQCQM-FQEVSTJZSA-N 0 0 443.547 4.262 40 0 IIABRN CCOc1ccccc1CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000030870700 556513499 /nfs/dbraw/zinc/51/34/99/556513499.db2.gz ZWQGYVFYHGCYAW-XMMPIXPASA-N 0 0 436.533 4.383 40 0 IIABRN COc1ccc(-c2cc(C(=O)NCC[C@H](C)n3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036615837 556513609 /nfs/dbraw/zinc/51/36/09/556513609.db2.gz WZZHMPQLENOCTN-INIZCTEOSA-N 0 0 446.555 4.147 40 0 IIABRN Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000015398200 556524160 /nfs/dbraw/zinc/52/41/60/556524160.db2.gz HALXKDCSMADLGV-GOSISDBHSA-N 0 0 426.513 4.207 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000013580639 556527162 /nfs/dbraw/zinc/52/71/62/556527162.db2.gz BIPNMUBQWLBSIH-KRWDZBQOSA-N 0 0 442.512 4.027 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581588 556527772 /nfs/dbraw/zinc/52/77/72/556527772.db2.gz BUOUDMKMLPASRZ-UHFFFAOYSA-N 0 0 436.961 4.474 40 0 IIABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581815 556528108 /nfs/dbraw/zinc/52/81/08/556528108.db2.gz LJJFQYKUNVWRSJ-UHFFFAOYSA-N 0 0 444.940 4.122 40 0 IIABRN CN(Cc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015439742 556528246 /nfs/dbraw/zinc/52/82/46/556528246.db2.gz QXGXWWYSMNTPIJ-UHFFFAOYSA-N 0 0 428.941 4.437 40 0 IIABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000013582983 556528333 /nfs/dbraw/zinc/52/83/33/556528333.db2.gz JTPVCIPTRIIWEC-UHFFFAOYSA-N 0 0 426.494 4.136 40 0 IIABRN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccc(COc2ccccc2)c1 ZINC000032115254 556531570 /nfs/dbraw/zinc/53/15/70/556531570.db2.gz SNCTWFJXBIEEBX-UHFFFAOYSA-N 0 0 447.560 4.229 40 0 IIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl ZINC000013609627 556534406 /nfs/dbraw/zinc/53/44/06/556534406.db2.gz QULZUEMSKYSMPE-UHFFFAOYSA-N 0 0 447.878 4.189 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508729 556540075 /nfs/dbraw/zinc/54/00/75/556540075.db2.gz GOJCCQAJPRXODF-ZWKOTPCHSA-N 0 0 441.405 4.264 40 0 IIABRN Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1C ZINC000032508746 556540492 /nfs/dbraw/zinc/54/04/92/556540492.db2.gz XXIFANVJEVPLKB-PMACEKPBSA-N 0 0 435.014 4.227 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1)N2c1cccc(Cl)c1 ZINC000032639714 556544053 /nfs/dbraw/zinc/54/40/53/556544053.db2.gz ZEPQHSJGIVYITJ-SJORKVTESA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3)N(c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000032639954 556544066 /nfs/dbraw/zinc/54/40/66/556544066.db2.gz XELXDQRCVCTUJA-IRXDYDNUSA-N 0 0 445.368 4.408 40 0 IIABRN COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000013648293 556544743 /nfs/dbraw/zinc/54/47/43/556544743.db2.gz QYTZTFIBSCZFEE-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(F)cc1Cl)N2c1ccc(F)cc1F ZINC000032640420 556544873 /nfs/dbraw/zinc/54/48/73/556544873.db2.gz ALBSEBJRVBJPOL-WBVHZDCISA-N 0 0 446.903 4.032 40 0 IIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640434 556545124 /nfs/dbraw/zinc/54/51/24/556545124.db2.gz SFFYANZULNYHQA-HKUYNNGSSA-N 0 0 438.977 4.371 40 0 IIABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 ZINC000013649554 556545219 /nfs/dbraw/zinc/54/52/19/556545219.db2.gz NXLOVZGMVXBHCJ-UHFFFAOYSA-N 0 0 442.968 4.284 40 0 IIABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000013670100 556550974 /nfs/dbraw/zinc/55/09/74/556550974.db2.gz NZDHXRVURHXTTI-UHFFFAOYSA-N 0 0 426.925 4.125 40 0 IIABRN CCOc1cccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000013673920 556553518 /nfs/dbraw/zinc/55/35/18/556553518.db2.gz RCCJWBBDXDANTA-UHFFFAOYSA-N 0 0 442.512 4.443 40 0 IIABRN Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013676495 556554508 /nfs/dbraw/zinc/55/45/08/556554508.db2.gz XRUMEZVHRNCMLS-UHFFFAOYSA-N 0 0 440.952 4.433 40 0 IIABRN Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013681662 556556981 /nfs/dbraw/zinc/55/69/81/556556981.db2.gz SURQARADCPVIKT-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013682494 556557723 /nfs/dbraw/zinc/55/77/23/556557723.db2.gz XELNTPPBZUJIFO-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000016032347 556576795 /nfs/dbraw/zinc/57/67/95/556576795.db2.gz AKJAISQYJCJBTL-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100799114 556591237 /nfs/dbraw/zinc/59/12/37/556591237.db2.gz IUBITZYLXRRGMJ-FSSWDIPSSA-N 0 0 434.879 4.400 40 0 IIABRN COc1cccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3cccc(OC)c3)C2)c1 ZINC000016228074 556593296 /nfs/dbraw/zinc/59/32/96/556593296.db2.gz UTDWVQOGGKKSHX-ROUUACIJSA-N 0 0 440.544 4.453 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)Nc1ccc(Cl)cc1 ZINC000016268642 556596042 /nfs/dbraw/zinc/59/60/42/556596042.db2.gz VABXVRPMOQCTCA-UHFFFAOYSA-N 0 0 439.990 4.332 40 0 IIABRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000016400865 556605814 /nfs/dbraw/zinc/60/58/14/556605814.db2.gz ZZTFMTLYXAYFHB-UHFFFAOYSA-N 0 0 443.878 4.322 40 0 IIABRN O=C(NCc1ccc(F)cc1)NC[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(F)cc2)C1 ZINC000016401508 556606038 /nfs/dbraw/zinc/60/60/38/556606038.db2.gz DEXVBUCBEIODCE-WOJBJXKFSA-N 0 0 444.526 4.070 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000038754326 556617026 /nfs/dbraw/zinc/61/70/26/556617026.db2.gz MSRIYZBEWWHTFJ-OAQYLSRUSA-N 0 0 434.989 4.149 40 0 IIABRN C[C@H]1COC[C@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2cccc(Cl)c2)n1 ZINC000016609682 556617308 /nfs/dbraw/zinc/61/73/08/556617308.db2.gz KFXMGCSBISBJNR-HOTGVXAUSA-N 0 0 447.930 4.053 40 0 IIABRN CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000038756217 556618076 /nfs/dbraw/zinc/61/80/76/556618076.db2.gz ZHFQKKOYAAAJSD-UHFFFAOYSA-N 0 0 443.912 4.352 40 0 IIABRN Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000038757059 556618635 /nfs/dbraw/zinc/61/86/35/556618635.db2.gz CNGUCXBWRSLVIZ-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC ZINC000016681815 556624173 /nfs/dbraw/zinc/62/41/73/556624173.db2.gz PBGRCXXVNJOAEG-UHFFFAOYSA-N 0 0 437.732 4.206 40 0 IIABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000016693526 556627944 /nfs/dbraw/zinc/62/79/44/556627944.db2.gz YAAYKONVSBCNHO-UHFFFAOYSA-N 0 0 440.521 4.212 40 0 IIABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000039760096 556629819 /nfs/dbraw/zinc/62/98/19/556629819.db2.gz QDGBFVBNBZBKAZ-UHFFFAOYSA-N 0 0 440.569 4.254 40 0 IIABRN C[C@H]1CCCC[C@H]1N1C(=O)[C@@H](CC(=O)NCCc2ccccc2)n2c3ccccc3nc21 ZINC000039964073 556631251 /nfs/dbraw/zinc/63/12/51/556631251.db2.gz FBCJMFPGNQQYHP-QTGUNEKASA-N 0 0 430.552 4.252 40 0 IIABRN CCCn1c2nn(CN(Cc3ccc(C)o3)C(C)C)c(=S)n2c2ccccc2c1=O ZINC000040151382 556634083 /nfs/dbraw/zinc/63/40/83/556634083.db2.gz RNIRECMDXFJPHB-UHFFFAOYSA-N 0 0 425.558 4.360 40 0 IIABRN CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000100984733 556634093 /nfs/dbraw/zinc/63/40/93/556634093.db2.gz UNADECRQZGYGGY-HJOGWXRNSA-N 0 0 444.487 4.014 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3cccc(OC)c3)c2C)c1-c1cccc(Cl)c1 ZINC000040385204 556635678 /nfs/dbraw/zinc/63/56/78/556635678.db2.gz GKXCXIAYQUZOJF-UHFFFAOYSA-N 0 0 437.887 4.160 40 0 IIABRN COc1ccccc1CCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040392389 556638510 /nfs/dbraw/zinc/63/85/10/556638510.db2.gz KQKOUYMOCYJCNZ-UHFFFAOYSA-N 0 0 431.883 4.011 40 0 IIABRN Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccc(F)cc1 ZINC000016756215 556639260 /nfs/dbraw/zinc/63/92/60/556639260.db2.gz RALQOSJMRVZCDB-UHFFFAOYSA-N 0 0 435.484 4.321 40 0 IIABRN COCc1nn2c(ncc3c2ccn(Cc2ccccc2OC)c3=O)c1-c1ccc(F)cc1 ZINC000040397090 556639490 /nfs/dbraw/zinc/63/94/90/556639490.db2.gz KTQQUUFZLLCVFD-UHFFFAOYSA-N 0 0 444.466 4.054 40 0 IIABRN CCc1cccc(NC(=O)Cn2nc(-c3cccc(OC)c3)n(-n3cccc3)c2=S)c1 ZINC000016778075 556640655 /nfs/dbraw/zinc/64/06/55/556640655.db2.gz UBAKTEDDBVCSEQ-UHFFFAOYSA-N 0 0 433.537 4.404 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000044846894 556669623 /nfs/dbraw/zinc/66/96/23/556669623.db2.gz LGHLSFBMQHFDBV-HSZRJFAPSA-N 0 0 426.582 4.367 40 0 IIABRN COc1ccc(CCNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044883937 556674779 /nfs/dbraw/zinc/67/47/79/556674779.db2.gz ORIUFDXKCQISBC-UHFFFAOYSA-N 0 0 444.940 4.122 40 0 IIABRN CCOc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000044900279 556677104 /nfs/dbraw/zinc/67/71/04/556677104.db2.gz ZNRAGKQQBRGJDP-UHFFFAOYSA-N 0 0 438.549 4.149 40 0 IIABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000044901368 556677946 /nfs/dbraw/zinc/67/79/46/556677946.db2.gz IUQZBHABTCWLIB-INIZCTEOSA-N 0 0 428.485 4.341 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)cc1 ZINC000017605263 556678234 /nfs/dbraw/zinc/67/82/34/556678234.db2.gz TWIWBAOZLFLPCL-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN CC[C@@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044902967 556678717 /nfs/dbraw/zinc/67/87/17/556678717.db2.gz FBWCFDWOVPZKOX-SUMWQHHRSA-N 0 0 429.369 4.415 40 0 IIABRN CCSc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044938739 556683246 /nfs/dbraw/zinc/68/32/46/556683246.db2.gz WKUNMXKEICGXSY-QGZVFWFLSA-N 0 0 440.974 4.008 40 0 IIABRN COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1S(=O)(=O)NC(C)C ZINC000018824469 556690901 /nfs/dbraw/zinc/69/09/01/556690901.db2.gz VRSBWWOKUJMROY-UHFFFAOYSA-N 0 0 445.566 4.066 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082357 556697345 /nfs/dbraw/zinc/69/73/45/556697345.db2.gz NLTGBYBPOLBEQY-FHLIZLRMSA-N 0 0 441.542 4.065 40 0 IIABRN CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)cc2N1 ZINC000019082342 556697408 /nfs/dbraw/zinc/69/74/08/556697408.db2.gz LSIAOMLXSQPCSA-CYGHRXIMSA-N 0 0 442.526 4.492 40 0 IIABRN COc1cccc2[nH]c(C(=O)N3CCC(c4nc5cnccn5c4NC(C)(C)C)CC3)cc21 ZINC000019083156 556697651 /nfs/dbraw/zinc/69/76/51/556697651.db2.gz ZZDIKXIHGRQCFP-UHFFFAOYSA-N 0 0 446.555 4.449 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C[C@@H]4CCCO4)C3)cc2N1 ZINC000019083350 556697874 /nfs/dbraw/zinc/69/78/74/556697874.db2.gz QTIRFSGUARRBFN-MXSMSXNCSA-N 0 0 442.526 4.492 40 0 IIABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)c3ccncc3)CC1)N2 ZINC000019084187 556698411 /nfs/dbraw/zinc/69/84/11/556698411.db2.gz UXINFULNTKYGKL-FUHWJXTLSA-N 0 0 435.494 4.416 40 0 IIABRN Cc1cc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)CCC4)nc2-c2cccs2)on1 ZINC000019121161 556700837 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CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375512 556951670 /nfs/dbraw/zinc/95/16/70/556951670.db2.gz RCUBZIWPLNDWCU-QFIPXVFZSA-N 0 0 430.556 4.189 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Nc2ncc(C)s2)n1 ZINC000072375587 556951905 /nfs/dbraw/zinc/95/19/05/556951905.db2.gz LZKHJXZBZVNBGR-QGZVFWFLSA-N 0 0 444.582 4.433 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3nccs3)n2)cc1C ZINC000072375674 556952614 /nfs/dbraw/zinc/95/26/14/556952614.db2.gz WPOLRYCGQUTRLA-KRWDZBQOSA-N 0 0 430.555 4.125 40 0 IIABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC ZINC000409098429 556954055 /nfs/dbraw/zinc/95/40/55/556954055.db2.gz QGOUYANTIRSOLC-ALNRQSLMSA-N 0 0 427.906 4.124 40 0 IIABRN Cc1cccnc1Nc1cncc([C@@H]2CCCN2S(=O)(=O)CCCc2ccccc2)n1 ZINC000072376458 556954702 /nfs/dbraw/zinc/95/47/02/556954702.db2.gz DXZZCXODQLZUJN-NRFANRHFSA-N 0 0 437.569 4.023 40 0 IIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O ZINC000409101307 556955759 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COc1ccc(OC[C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000222916429 557402314 /nfs/dbraw/zinc/40/23/14/557402314.db2.gz ZDKDZFWTPWLXAC-WPGBELRESA-N 0 0 436.533 4.111 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222934600 557405065 /nfs/dbraw/zinc/40/50/65/557405065.db2.gz RBLHKICZFWEXIK-JOCHJYFZSA-N 0 0 430.976 4.402 40 0 IIABRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000222939293 557405785 /nfs/dbraw/zinc/40/57/85/557405785.db2.gz LORMVPCZTIBEDD-INIZCTEOSA-N 0 0 447.000 4.494 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccccc1F ZINC000222943272 557406544 /nfs/dbraw/zinc/40/65/44/557406544.db2.gz KQUKNDSKIVIKOB-JOCHJYFZSA-N 0 0 430.589 4.433 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000222960576 557408471 /nfs/dbraw/zinc/40/84/71/557408471.db2.gz RVBILNNLZLWUTI-KSFYIVLOSA-N 0 0 432.561 4.127 40 0 IIABRN CCOC(=O)Nc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 ZINC000222998034 557413626 /nfs/dbraw/zinc/41/36/26/557413626.db2.gz DYIWAKKRVGAGHY-LBPRGKRZSA-N 0 0 439.331 4.157 40 0 IIABRN CC[C@@H](C)NC(=O)Cn1c2ccc(F)cc2c2ncn(C[C@H](C)c3ccccc3)c(=O)c21 ZINC000014000764 557417314 /nfs/dbraw/zinc/41/73/14/557417314.db2.gz MPSWTSZOUOCGKU-DLBZAZTESA-N 0 0 434.515 4.209 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3Cl)C2)cc1 ZINC000014022916 557419620 /nfs/dbraw/zinc/41/96/20/557419620.db2.gz ZMCCONYGXHGHBB-CQSZACIVSA-N 0 0 427.353 4.341 40 0 IIABRN COc1cccc(CN(C(=O)CSCc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223051794 557421850 /nfs/dbraw/zinc/42/18/50/557421850.db2.gz FJZSBCONPWTKEF-QGZVFWFLSA-N 0 0 446.588 4.400 40 0 IIABRN COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223066219 557424753 /nfs/dbraw/zinc/42/47/53/557424753.db2.gz IZZKVFNVWMSRKX-SANMLTNESA-N 0 0 444.575 4.022 40 0 IIABRN O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000014164623 557425371 /nfs/dbraw/zinc/42/53/71/557425371.db2.gz CEMPXVFVAYNHKO-IBGZPJMESA-N 0 0 429.505 4.246 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)cc1 ZINC000014154241 557425938 /nfs/dbraw/zinc/42/59/38/557425938.db2.gz BVTYPARLTWHXNX-UHFFFAOYSA-N 0 0 432.448 4.051 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223074699 557426643 /nfs/dbraw/zinc/42/66/43/557426643.db2.gz DIFSNXLBWFJPRB-KRWDZBQOSA-N 0 0 445.401 4.498 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223077079 557426901 /nfs/dbraw/zinc/42/69/01/557426901.db2.gz HFJAOSKNWAQPDM-IAGOWNOFSA-N 0 0 444.959 4.333 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223081642 557427954 /nfs/dbraw/zinc/42/79/54/557427954.db2.gz CYUHLJKGOXQHOS-AWEZNQCLSA-N 0 0 437.765 4.198 40 0 IIABRN COc1ccc(CN(C(=O)CSCc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223086178 557429220 /nfs/dbraw/zinc/42/92/20/557429220.db2.gz SMCGGCVYONUEIH-KRWDZBQOSA-N 0 0 446.588 4.400 40 0 IIABRN COc1ccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223093306 557430331 /nfs/dbraw/zinc/43/03/31/557430331.db2.gz CGUMMEFEHMYRFF-HNNXBMFYSA-N 0 0 434.939 4.362 40 0 IIABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000014271597 557430754 /nfs/dbraw/zinc/43/07/54/557430754.db2.gz ZNPNVVIMAIOLRH-ZDUSSCGKSA-N 0 0 445.610 4.133 40 0 IIABRN CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223109190 557432765 /nfs/dbraw/zinc/43/27/65/557432765.db2.gz WZOSBLATRIBIQY-NRFANRHFSA-N 0 0 434.989 4.107 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 ZINC000223109106 557432778 /nfs/dbraw/zinc/43/27/78/557432778.db2.gz LTPRMUGVPPONJQ-CHWSQXEVSA-N 0 0 441.325 4.381 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223115961 557433742 /nfs/dbraw/zinc/43/37/42/557433742.db2.gz ZBGDVKJCMQVHHJ-OPAMFIHVSA-N 0 0 432.561 4.127 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccc(OC)cc1 ZINC000223119110 557434119 /nfs/dbraw/zinc/43/41/19/557434119.db2.gz LVMGFNBUROBKCT-RBUKOAKNSA-N 0 0 444.547 4.325 40 0 IIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000014291327 557434504 /nfs/dbraw/zinc/43/45/04/557434504.db2.gz JIQSBIUFZFMNSI-UHFFFAOYSA-N 0 0 429.889 4.084 40 0 IIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223124970 557435316 /nfs/dbraw/zinc/43/53/16/557435316.db2.gz HWDBBSSEMKKMBJ-HSZRJFAPSA-N 0 0 435.955 4.401 40 0 IIABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccccc1F ZINC000223129357 557435853 /nfs/dbraw/zinc/43/58/53/557435853.db2.gz ZLXODUOIUAIXHU-SFHVURJKSA-N 0 0 430.589 4.433 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000223128827 557435916 /nfs/dbraw/zinc/43/59/16/557435916.db2.gz QKCAUYMDAFBZQG-VWLOTQADSA-N 0 0 444.575 4.458 40 0 IIABRN COc1ccc(C)cc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000223135333 557437368 /nfs/dbraw/zinc/43/73/68/557437368.db2.gz JFPLYPMAVAFIIY-RGEXLXHISA-N 0 0 436.464 4.023 40 0 IIABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000223143512 557438453 /nfs/dbraw/zinc/43/84/53/557438453.db2.gz HFQDACZIAPAQCT-VWNXMTODSA-N 0 0 440.609 4.234 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1 ZINC000223143759 557438467 /nfs/dbraw/zinc/43/84/67/557438467.db2.gz OZSFBRPVQJEUDD-DLBZAZTESA-N 0 0 431.374 4.324 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 ZINC000223179517 557442209 /nfs/dbraw/zinc/44/22/09/557442209.db2.gz PLBPELWHAMFOHK-QFIPXVFZSA-N 0 0 426.557 4.105 40 0 IIABRN O=C(Nc1ccccc1C(=O)Nn1cnnc1)c1sc2cc(Cl)ccc2c1Cl ZINC000014405999 557443550 /nfs/dbraw/zinc/44/35/50/557443550.db2.gz NQIRSQYGVJIKRQ-UHFFFAOYSA-N 0 0 432.292 4.436 40 0 IIABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000223189960 557443538 /nfs/dbraw/zinc/44/35/38/557443538.db2.gz MXHBJKIOCWZBCU-HOTGVXAUSA-N 0 0 434.989 4.169 40 0 IIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223198897 557444890 /nfs/dbraw/zinc/44/48/90/557444890.db2.gz ZAJWEPHLDAQAGY-DEOSSOPVSA-N 0 0 433.527 4.277 40 0 IIABRN CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223204110 557445812 /nfs/dbraw/zinc/44/58/12/557445812.db2.gz HGZGGWNBWFDJIT-XMMPIXPASA-N 0 0 442.575 4.353 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(F)cc1 ZINC000223222574 557447420 /nfs/dbraw/zinc/44/74/20/557447420.db2.gz KELLDPWFEVYZRB-VWLOTQADSA-N 0 0 448.538 4.289 40 0 IIABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(OC)cc3)c(CC)nn2c1C ZINC000014607700 557447782 /nfs/dbraw/zinc/44/77/82/557447782.db2.gz ZUMISATWXGBJBR-UHFFFAOYSA-N 0 0 431.496 4.322 40 0 IIABRN Cc1ccc(-c2nnc(NC(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)s2)cc1 ZINC000223242507 557450479 /nfs/dbraw/zinc/45/04/79/557450479.db2.gz FNTDDZKIPRNWSX-UHFFFAOYSA-N 0 0 444.582 4.007 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C(=O)N1CCCCCC1 ZINC000026119929 557450750 /nfs/dbraw/zinc/45/07/50/557450750.db2.gz SRMONZWQZNUMLX-UHFFFAOYSA-N 0 0 432.611 4.212 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223272085 557454232 /nfs/dbraw/zinc/45/42/32/557454232.db2.gz BAFGWCXFOFYTQD-KRWDZBQOSA-N 0 0 434.939 4.500 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 ZINC000223273836 557454562 /nfs/dbraw/zinc/45/45/62/557454562.db2.gz RVCUBMSWBFOYTN-RUZDIDTESA-N 0 0 445.563 4.003 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223275533 557454743 /nfs/dbraw/zinc/45/47/43/557454743.db2.gz GOEWNISOLDDXTB-GOSISDBHSA-N 0 0 444.547 4.109 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223275082 557454815 /nfs/dbraw/zinc/45/48/15/557454815.db2.gz LUORHUWTMOTULL-VWLOTQADSA-N 0 0 430.548 4.014 40 0 IIABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000100726605 557455130 /nfs/dbraw/zinc/45/51/30/557455130.db2.gz KHWAVBYANPTJJF-BHIFYINESA-N 0 0 434.879 4.400 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223285015 557455720 /nfs/dbraw/zinc/45/57/20/557455720.db2.gz YYBOXQSOMIRVCV-IBGZPJMESA-N 0 0 446.613 4.387 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223284956 557455813 /nfs/dbraw/zinc/45/58/13/557455813.db2.gz YYBOXQSOMIRVCV-LJQANCHMSA-N 0 0 446.613 4.387 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000223302963 557457232 /nfs/dbraw/zinc/45/72/32/557457232.db2.gz FADGXUQMUPMOBE-KRWDZBQOSA-N 0 0 430.570 4.002 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223325747 557459283 /nfs/dbraw/zinc/45/92/83/557459283.db2.gz JELOYASVOCYQDX-GOSISDBHSA-N 0 0 427.303 4.065 40 0 IIABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000136132215 557459497 /nfs/dbraw/zinc/45/94/97/557459497.db2.gz IUBITZYLXRRGMJ-FDFHNCONSA-N 0 0 434.879 4.400 40 0 IIABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137880479 557459851 /nfs/dbraw/zinc/45/98/51/557459851.db2.gz OJWSVBCPLATMAB-FDFHNCONSA-N 0 0 434.879 4.400 40 0 IIABRN O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015593482 557462867 /nfs/dbraw/zinc/46/28/67/557462867.db2.gz GVBHHNBWFZIHBM-UHFFFAOYSA-N 0 0 428.598 4.470 40 0 IIABRN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000223378594 557465033 /nfs/dbraw/zinc/46/50/33/557465033.db2.gz ALICZAHUHJDXSF-UHFFFAOYSA-N 0 0 438.524 4.206 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1cccnc1 ZINC000015935710 557467077 /nfs/dbraw/zinc/46/70/77/557467077.db2.gz ZLQJUSZBUCLHJY-XMMPIXPASA-N 0 0 440.478 4.320 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 ZINC000015935855 557467084 /nfs/dbraw/zinc/46/70/84/557467084.db2.gz SFAXHTMEJSRRQP-OAQYLSRUSA-N 0 0 435.553 4.079 40 0 IIABRN COC(=O)c1ccc(NCc2ccccc2OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223412760 557468594 /nfs/dbraw/zinc/46/85/94/557468594.db2.gz OQLHKLRBABESSW-UHFFFAOYSA-N 0 0 440.521 4.203 40 0 IIABRN COC(=O)c1ccc(N2CCc3ccccc3C2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223412514 557468725 /nfs/dbraw/zinc/46/87/25/557468725.db2.gz OKDNWDCPIWFOEY-UHFFFAOYSA-N 0 0 436.533 4.145 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223418432 557469647 /nfs/dbraw/zinc/46/96/47/557469647.db2.gz HMRSJXXMLYOMQO-QFIPXVFZSA-N 0 0 428.598 4.099 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223418833 557469978 /nfs/dbraw/zinc/46/99/78/557469978.db2.gz AWCSQDKZDFITGY-HXUWFJFHSA-N 0 0 434.989 4.135 40 0 IIABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1cccnc1 ZINC000223453268 557473448 /nfs/dbraw/zinc/47/34/48/557473448.db2.gz OOXNWRRWFOFITK-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1C ZINC000223456913 557474402 /nfs/dbraw/zinc/47/44/02/557474402.db2.gz YXJUIWAIHDHCFZ-IBGZPJMESA-N 0 0 432.586 4.042 40 0 IIABRN CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000017096537 557476862 /nfs/dbraw/zinc/47/68/62/557476862.db2.gz QDPWTLXMDCIESX-UHFFFAOYSA-N 0 0 429.520 4.186 40 0 IIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000223478365 557476913 /nfs/dbraw/zinc/47/69/13/557476913.db2.gz IPINHVPJRWQHBY-RUZDIDTESA-N 0 0 448.494 4.351 40 0 IIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCC)cc3)cc2Cl)CC1 ZINC000017096710 557477481 /nfs/dbraw/zinc/47/74/81/557477481.db2.gz RMOVVRHCZVEOQF-UHFFFAOYSA-N 0 0 429.948 4.440 40 0 IIABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000017097505 557478953 /nfs/dbraw/zinc/47/89/53/557478953.db2.gz RTOORWXRFKQNNN-KPKJPENVSA-N 0 0 431.496 4.394 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223503656 557480021 /nfs/dbraw/zinc/48/00/21/557480021.db2.gz STHATODBWYHMAZ-GOSISDBHSA-N 0 0 446.975 4.369 40 0 IIABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 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557491260 /nfs/dbraw/zinc/49/12/60/557491260.db2.gz REIGUHZFUAWEIL-VQTJNVASSA-N 0 0 430.936 4.020 40 0 IIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223609021 557491313 /nfs/dbraw/zinc/49/13/13/557491313.db2.gz REIGUHZFUAWEIL-WOJBJXKFSA-N 0 0 430.936 4.020 40 0 IIABRN COc1c(F)c(F)c(C(=O)Nc2ccc(I)cc2C)c(F)c1F ZINC000017103021 557491748 /nfs/dbraw/zinc/49/17/48/557491748.db2.gz YHZFUIWSBXUZKA-UHFFFAOYSA-N 0 0 439.146 4.417 40 0 IIABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223612589 557491824 /nfs/dbraw/zinc/49/18/24/557491824.db2.gz GIUPLGOVNSTQQQ-LEWJYISDSA-N 0 0 425.579 4.489 40 0 IIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223625634 557493485 /nfs/dbraw/zinc/49/34/85/557493485.db2.gz JXOPYDQAHRCEMW-WOJBJXKFSA-N 0 0 446.498 4.246 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000223627929 557493796 /nfs/dbraw/zinc/49/37/96/557493796.db2.gz XARNOXXAJGSERM-JOCHJYFZSA-N 0 0 440.584 4.413 40 0 IIABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223629193 557494005 /nfs/dbraw/zinc/49/40/05/557494005.db2.gz LCYDPGNWTZVDIK-ZEQRLZLVSA-N 0 0 428.561 4.380 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc2ccccc2c1 ZINC000223653038 557497601 /nfs/dbraw/zinc/49/76/01/557497601.db2.gz GQBJUMVWSMRURD-UHFFFAOYSA-N 0 0 438.549 4.204 40 0 IIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000223654305 557497852 /nfs/dbraw/zinc/49/78/52/557497852.db2.gz HBFYGFBWODDRAR-UHFFFAOYSA-N 0 0 432.716 4.316 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 ZINC000223671482 557499923 /nfs/dbraw/zinc/49/99/23/557499923.db2.gz VMXGREKLWPHSFX-QFIPXVFZSA-N 0 0 426.557 4.105 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223682200 557501531 /nfs/dbraw/zinc/50/15/31/557501531.db2.gz WCEQPNVIHVOJPA-NHCUHLMSSA-N 0 0 440.956 4.061 40 0 IIABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc2c3c(cccc31)CC2)S(C)(=O)=O ZINC000223682363 557501562 /nfs/dbraw/zinc/50/15/62/557501562.db2.gz VKNMUOSPKLACAJ-UHFFFAOYSA-N 0 0 428.941 4.305 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000223707542 557504461 /nfs/dbraw/zinc/50/44/61/557504461.db2.gz BTOQFIXZKDNJKZ-DNQXCXABSA-N 0 0 448.592 4.333 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)cc1 ZINC000019631180 557506989 /nfs/dbraw/zinc/50/69/89/557506989.db2.gz FYKQNDPDIOXUME-UHFFFAOYSA-N 0 0 440.306 4.043 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223743278 557508060 /nfs/dbraw/zinc/50/80/60/557508060.db2.gz AZGIYTBKXHQEJE-QFIPXVFZSA-N 0 0 438.568 4.380 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 ZINC000019866489 557509665 /nfs/dbraw/zinc/50/96/65/557509665.db2.gz RNCXLRDVUJIHTC-ICSRJNTNSA-N 0 0 449.016 4.376 40 0 IIABRN COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C ZINC000223756674 557509712 /nfs/dbraw/zinc/50/97/12/557509712.db2.gz IRJMKIALQGBYCL-PKTZIBPZSA-N 0 0 436.581 4.332 40 0 IIABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1cc2cccc(C)c2[nH]c1=O ZINC000019973056 557511352 /nfs/dbraw/zinc/51/13/52/557511352.db2.gz VLZZRHBUDKASJO-JOCHJYFZSA-N 0 0 430.556 4.190 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223774208 557511534 /nfs/dbraw/zinc/51/15/34/557511534.db2.gz PDAOOOQEJCKMDF-CQSZACIVSA-N 0 0 440.943 4.405 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1F ZINC000223778430 557512055 /nfs/dbraw/zinc/51/20/55/557512055.db2.gz BPWPRAKESDRJAN-RUZDIDTESA-N 0 0 448.538 4.153 40 0 IIABRN COc1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223814572 557516749 /nfs/dbraw/zinc/51/67/49/557516749.db2.gz YWAMXARQSIBCAY-KRWDZBQOSA-N 0 0 444.959 4.204 40 0 IIABRN CCc1ccccc1N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000020236851 557518692 /nfs/dbraw/zinc/51/86/92/557518692.db2.gz ZNZLSPCBMBVDQM-UHFFFAOYSA-N 0 0 438.549 4.233 40 0 IIABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223850751 557520761 /nfs/dbraw/zinc/52/07/61/557520761.db2.gz DXVFTIRUNRIDRN-PKTZIBPZSA-N 0 0 427.533 4.209 40 0 IIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1cccnc1 ZINC000223851244 557520856 /nfs/dbraw/zinc/52/08/56/557520856.db2.gz JGYALYFXXZWTKA-PKTZIBPZSA-N 0 0 427.533 4.458 40 0 IIABRN Oc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223869582 557523300 /nfs/dbraw/zinc/52/33/00/557523300.db2.gz FPDVIZXYHAYWSI-XZOQPEGZSA-N 0 0 428.517 4.461 40 0 IIABRN Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223869546 557523317 /nfs/dbraw/zinc/52/33/17/557523317.db2.gz FPDVIZXYHAYWSI-PKTZIBPZSA-N 0 0 428.517 4.461 40 0 IIABRN C[C@@H](CNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000223870917 557523562 /nfs/dbraw/zinc/52/35/62/557523562.db2.gz DNVNENUVWOJQLA-LBPRGKRZSA-N 0 0 449.787 4.333 40 0 IIABRN Cc1cc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)ccc1N1CCCC1=O ZINC000223885385 557525083 /nfs/dbraw/zinc/52/50/83/557525083.db2.gz QMFZWZUXAPEYSF-UHFFFAOYSA-N 0 0 436.533 4.393 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(CC)cc1 ZINC000223910020 557527637 /nfs/dbraw/zinc/52/76/37/557527637.db2.gz KCMFEXDEXDJVGH-OAHLLOKOSA-N 0 0 437.367 4.488 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000223911680 557527928 /nfs/dbraw/zinc/52/79/28/557527928.db2.gz RHHGUIGRXJSJNG-UHFFFAOYSA-N 0 0 448.560 4.116 40 0 IIABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000223923571 557529551 /nfs/dbraw/zinc/52/95/51/557529551.db2.gz LBIRCZQRSPRHNP-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223928566 557530036 /nfs/dbraw/zinc/53/00/36/557530036.db2.gz VNIPSIDQVVFCDP-QHCPKHFHSA-N 0 0 436.533 4.303 40 0 IIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1C ZINC000223929174 557530051 /nfs/dbraw/zinc/53/00/51/557530051.db2.gz IEIASJIQKFCAKS-DNQXCXABSA-N 0 0 447.608 4.051 40 0 IIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1C ZINC000223931959 557530519 /nfs/dbraw/zinc/53/05/19/557530519.db2.gz LTJBVWATTVUJPA-KRWDZBQOSA-N 0 0 431.374 4.244 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(C)c1 ZINC000223932037 557530560 /nfs/dbraw/zinc/53/05/60/557530560.db2.gz GARSZIDVKHEFQJ-QGZVFWFLSA-N 0 0 431.374 4.244 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000223942672 557531918 /nfs/dbraw/zinc/53/19/18/557531918.db2.gz JYRVMHPGQREALG-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(CC)cc1 ZINC000223954402 557533889 /nfs/dbraw/zinc/53/38/89/557533889.db2.gz MPLBGRQSPWIZBR-OAHLLOKOSA-N 0 0 437.367 4.488 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000223962668 557535083 /nfs/dbraw/zinc/53/50/83/557535083.db2.gz DVLGVLJZAVVNBC-CYBMUJFWSA-N 0 0 427.303 4.065 40 0 IIABRN Cc1cc(C(=O)NCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224002178 557542421 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569584125 /nfs/dbraw/zinc/58/41/25/569584125.db2.gz BJNACMDZHUZYMO-UHFFFAOYSA-N 0 0 446.985 4.222 40 0 IIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)c(Br)c1 ZINC000328985289 569584292 /nfs/dbraw/zinc/58/42/92/569584292.db2.gz HSFNRGVHTKMSFY-IBGZPJMESA-N 0 0 442.361 4.782 40 0 IIABRN CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000067890291 291380307 /nfs/dbraw/zinc/38/03/07/291380307.db2.gz CQXSEGQHKPKDDO-VGSWGCGISA-N 0 0 426.538 4.189 40 0 biogenic,in-vitro IIABRN CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cc(C(=O)OC)ccc3[nH]2)C[C@H]1C(C)C ZINC000072320995 291381186 /nfs/dbraw/zinc/38/11/86/291381186.db2.gz LFJATNFLFLHBGK-UFYCRDLUSA-N 0 0 440.588 4.456 40 0 biogenic,in-vitro IIABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000253399417 291384698 /nfs/dbraw/zinc/38/46/98/291384698.db2.gz JDENFFYYRBAGPL-INIZCTEOSA-N 0 0 425.916 4.006 40 0 biogenic,in-vitro IIABRN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225485296 291385800 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448.519 4.125 40 0 IIABRN CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1Br ZINC000408606808 193975440 /nfs/dbraw/zinc/97/54/40/193975440.db2.gz QHSFTLLSGLNSAL-GOSISDBHSA-N 0 0 446.370 4.279 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000408604798 193974157 /nfs/dbraw/zinc/97/41/57/193974157.db2.gz FWLCSQUZQFMCHT-UHFFFAOYSA-N 0 0 435.760 4.356 40 0 IIABRN COc1cc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c(OC)cc1Cl ZINC000408617976 193983274 /nfs/dbraw/zinc/98/32/74/193983274.db2.gz IHLUTIWJKDVFQA-LBPRGKRZSA-N 0 0 446.912 4.046 40 0 IIABRN Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCCCS1(=O)=O ZINC000005135888 132275101 /nfs/dbraw/zinc/27/51/01/132275101.db2.gz DEXHTVKCLJYGOL-UHFFFAOYSA-N 0 0 426.582 4.020 40 0 IIABRN Clc1ccc(Br)cc1-c1nc(Nc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000008904548 132297372 /nfs/dbraw/zinc/29/73/72/132297372.db2.gz GNPPUWPZQHWIOG-UHFFFAOYSA-N 0 0 434.725 4.468 40 0 IIABRN Cc1cc(C)cc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 ZINC000010009296 132333848 /nfs/dbraw/zinc/33/38/48/132333848.db2.gz AKDPRWXYTKACRR-HSZRJFAPSA-N 0 0 436.533 4.040 40 0 IIABRN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN(c2c3c(nc4ncnn42)CCC3)C1 ZINC000013085995 132344274 /nfs/dbraw/zinc/34/42/74/132344274.db2.gz FQGZTARZASMFII-IBGZPJMESA-N 0 0 438.535 4.135 40 0 IIABRN COc1ccc2cc3c(N)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3nc2c1 ZINC000013503442 132347183 /nfs/dbraw/zinc/34/71/83/132347183.db2.gz UKBWIXPFEDRDNE-UHFFFAOYSA-N 0 0 436.512 4.142 40 0 IIABRN CCOc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013503992 132347661 /nfs/dbraw/zinc/34/76/61/132347661.db2.gz ZFRKHWQMIKDUBM-XMMPIXPASA-N 0 0 448.615 4.355 40 0 IIABRN CC(C)(C)n1nnnc1[C@H](c1ccccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000013504067 132347672 /nfs/dbraw/zinc/34/76/72/132347672.db2.gz ZGQWWYBQSVRJFF-FQEVSTJZSA-N 0 0 428.943 4.132 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(c2cc(C)ccc2C)CC1 ZINC000013504151 132347774 /nfs/dbraw/zinc/34/77/74/132347774.db2.gz NDCFMIDQSHDULS-DEOSSOPVSA-N 0 0 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CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000225274396 519895073 /nfs/dbraw/zinc/89/50/73/519895073.db2.gz INQSWSMEHRSKRI-NRFANRHFSA-N 0 0 434.939 4.500 40 0 IIABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675580 520183060 /nfs/dbraw/zinc/18/30/60/520183060.db2.gz FIADPNGBWJGJPO-YADHBBJMSA-N 0 0 435.524 4.350 40 0 IIABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccccc2OC)[C@H](C(=O)OCC)C1=O ZINC000020675926 520183312 /nfs/dbraw/zinc/18/33/12/520183312.db2.gz MKPCMLHYEIKAAK-VXKWHMMOSA-N 0 0 435.524 4.350 40 0 IIABRN CCOCc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 ZINC000012256268 520189474 /nfs/dbraw/zinc/18/94/74/520189474.db2.gz IIGOCJNWFVGXAU-SFHVURJKSA-N 0 0 435.499 4.029 40 0 IIABRN CC1(C)CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)C1 ZINC000020460704 520319689 /nfs/dbraw/zinc/31/96/89/520319689.db2.gz ATJZBGYLRJBMHQ-UHFFFAOYSA-N 0 0 447.428 4.184 40 0 IIABRN CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466272 520521991 /nfs/dbraw/zinc/52/19/91/520521991.db2.gz LRILPBQFUXAUAE-YWHDMBOESA-N 0 0 428.617 4.113 40 0 biogenic,in-vitro IIABRN CC1=C(C(=O)NCc2ccccc2)C(c2ccco2)C(C(=O)NCc2ccccc2)=C(C)N1 ZINC000031830021 520798534 /nfs/dbraw/zinc/79/85/34/520798534.db2.gz XYIGLVQYHIYYNZ-UHFFFAOYSA-N 0 0 441.531 4.147 40 0 IIABRN CCOc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1OC ZINC000022522181 520946593 /nfs/dbraw/zinc/94/65/93/520946593.db2.gz VOBDDHMYIKJSEG-MRXNPFEDSA-N 0 0 433.570 4.341 40 0 IIABRN CC1CCN(C(=O)Cn2c3ccccc3nc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000012882463 520982046 /nfs/dbraw/zinc/98/20/46/520982046.db2.gz HIJDXWOFMUCOTN-OALUTQOASA-N 0 0 442.629 4.176 40 0 IIABRN CCOc1ccc(NC(=O)Cn2nc(-c3ccc(OC)cc3)n(-n3cccc3)c2=S)cc1 ZINC000016778111 521076364 /nfs/dbraw/zinc/07/63/64/521076364.db2.gz CVWWLAUIVNTAME-UHFFFAOYSA-N 0 0 449.536 4.240 40 0 IIABRN CCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(OC)c2)CC1 ZINC000036628537 521124390 /nfs/dbraw/zinc/12/43/90/521124390.db2.gz LTOMELOCOKOUAT-UHFFFAOYSA-N 0 0 441.535 4.155 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000022533327 521218677 /nfs/dbraw/zinc/21/86/77/521218677.db2.gz KEVFPLSGVCOKPU-LJQANCHMSA-N 0 0 432.586 4.126 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=O)N3CCCC3)cc2c1 ZINC000012492723 521282747 /nfs/dbraw/zinc/28/27/47/521282747.db2.gz FUOLSXQJFDSRGR-UHFFFAOYSA-N 0 0 435.524 4.153 40 0 IIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H](C)c1ccc(Br)cc1)cn2C ZINC000022237420 521291399 /nfs/dbraw/zinc/29/13/99/521291399.db2.gz YAOXZSZTKJFDTI-ZDUSSCGKSA-N 0 0 429.314 4.191 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 ZINC000012870537 521337133 /nfs/dbraw/zinc/33/71/33/521337133.db2.gz HRUQMORZQLSCCN-GOSISDBHSA-N 0 0 443.960 4.279 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000012867747 521340015 /nfs/dbraw/zinc/34/00/15/521340015.db2.gz VGDQRTUUVFFLSL-QGZVFWFLSA-N 0 0 432.546 4.432 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1 ZINC000012635165 521344713 /nfs/dbraw/zinc/34/47/13/521344713.db2.gz PGMBWDXRVHDWKV-FQEVSTJZSA-N 0 0 440.544 4.366 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(C)c(C)c1 ZINC000012869380 521346002 /nfs/dbraw/zinc/34/60/02/521346002.db2.gz PYGOIHBAYVEANH-FQEVSTJZSA-N 0 0 437.569 4.243 40 0 IIABRN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022257066 521446159 /nfs/dbraw/zinc/44/61/59/521446159.db2.gz GBCPLTMODZFKOE-UHFFFAOYSA-N 0 0 445.541 4.088 40 0 IIABRN COCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc(C)c(C)c2c1=O ZINC000012710818 522072087 /nfs/dbraw/zinc/07/20/87/522072087.db2.gz AEXWFABXKAEDOO-UHFFFAOYSA-N 0 0 431.583 4.069 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020460806 522681461 /nfs/dbraw/zinc/68/14/61/522681461.db2.gz CXCBCAAYUYSNMM-QGZVFWFLSA-N 0 0 429.369 4.335 40 0 IIABRN CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000020462085 522685354 /nfs/dbraw/zinc/68/53/54/522685354.db2.gz BMDUREJUNFWNRA-JOCHJYFZSA-N 0 0 426.513 4.289 40 0 IIABRN CCc1nn2c(nnc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000020797588 522713499 /nfs/dbraw/zinc/71/34/99/522713499.db2.gz UQXIDPRUUYDGSI-UHFFFAOYSA-N 0 0 435.459 4.071 40 0 IIABRN CCc1nn2c(nnc(C(=O)Nc3cccc(C)c3)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000020797614 522714266 /nfs/dbraw/zinc/71/42/66/522714266.db2.gz XYPBNOXVSVPPNF-UHFFFAOYSA-N 0 0 431.496 4.240 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3ccc(C)cc3[nH]c1=O)N(C(=O)c1ccco1)CC2 ZINC000012472145 523047617 /nfs/dbraw/zinc/04/76/17/523047617.db2.gz OBYYIWGSYDPEIF-XMMPIXPASA-N 0 0 444.487 4.235 40 0 IIABRN COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000022257026 523283725 /nfs/dbraw/zinc/28/37/25/523283725.db2.gz SOMWMFIPEIEVJN-UHFFFAOYSA-N 0 0 429.542 4.468 40 0 IIABRN COc1ccc(/C=C/C(=O)N2c3ccccc3CO[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000010157775 523389035 /nfs/dbraw/zinc/38/90/35/523389035.db2.gz LGJHOEPCNQBAFC-KWAUPFKJSA-N 0 0 426.472 4.101 40 0 IIABRN COc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000018243943 523589070 /nfs/dbraw/zinc/58/90/70/523589070.db2.gz DHFLGJDOYPMVFK-QZTJIDSGSA-N 0 0 427.884 4.290 40 0 IIABRN COc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3n3nnnc23)cc1 ZINC000035290161 523616591 /nfs/dbraw/zinc/61/65/91/523616591.db2.gz WYQGYNQVFHAXCD-UHFFFAOYSA-N 0 0 427.464 4.030 40 0 IIABRN CN(c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1)S(C)(=O)=O ZINC000022230759 523641933 /nfs/dbraw/zinc/64/19/33/523641933.db2.gz UDKJRTVHSKRUQQ-UHFFFAOYSA-N 0 0 442.562 4.251 40 0 IIABRN CCc1ccc(CNC(=O)c2ccc3c(=O)[nH]c4c(-c5cccc(F)c5)nnn4c3c2)cc1 ZINC000021867687 523939790 /nfs/dbraw/zinc/93/97/90/523939790.db2.gz PWSDBJGROAFOIE-UHFFFAOYSA-N 0 0 441.466 4.282 40 0 IIABRN CCc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C3CCC3)cc2c1 ZINC000035313540 524058388 /nfs/dbraw/zinc/05/83/88/524058388.db2.gz ZAVIWIWTKWXIOA-RUZDIDTESA-N 0 0 446.547 4.382 40 0 IIABRN COc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020451968 524065493 /nfs/dbraw/zinc/06/54/93/524065493.db2.gz ICBBLOLOGZVMPN-UHFFFAOYSA-N 0 0 430.913 4.079 40 0 IIABRN COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020495654 524066720 /nfs/dbraw/zinc/06/67/20/524066720.db2.gz RZDSYYFSTDWODN-UHFFFAOYSA-N 0 0 430.913 4.079 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000022361829 524203979 /nfs/dbraw/zinc/20/39/79/524203979.db2.gz RBMRLKLOWFYMEM-CQSZACIVSA-N 0 0 429.369 4.254 40 0 IIABRN COc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccc4c(c3)OCO4)c(=O)oc21 ZINC000012645728 524258104 /nfs/dbraw/zinc/25/81/04/524258104.db2.gz XUFGGQKNFCQQFK-UHFFFAOYSA-N 0 0 443.455 4.373 40 0 IIABRN COc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 ZINC000012637783 524338002 /nfs/dbraw/zinc/33/80/02/524338002.db2.gz HAAKXEPGCIARLP-HXUWFJFHSA-N 0 0 438.553 4.158 40 0 IIABRN Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 ZINC000012872274 524361513 /nfs/dbraw/zinc/36/15/13/524361513.db2.gz IHWWZOKNYSGULE-JOCHJYFZSA-N 0 0 449.580 4.074 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000012636776 524509282 /nfs/dbraw/zinc/50/92/82/524509282.db2.gz QWRWSJZTGZKECN-IBGZPJMESA-N 0 0 426.567 4.355 40 0 IIABRN Cc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2F)c1 ZINC000012870148 524813827 /nfs/dbraw/zinc/81/38/27/524813827.db2.gz GPSOPIVBDOGVLU-IBGZPJMESA-N 0 0 426.517 4.288 40 0 IIABRN Cc1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022280478 524891669 /nfs/dbraw/zinc/89/16/69/524891669.db2.gz HWJAMTVJNMLUNB-UHFFFAOYSA-N 0 0 440.540 4.078 40 0 IIABRN Cc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000022337586 524896454 /nfs/dbraw/zinc/89/64/54/524896454.db2.gz CIRIARSMVJRXHD-UHFFFAOYSA-N 0 0 436.961 4.375 40 0 IIABRN C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022397701 524949048 /nfs/dbraw/zinc/94/90/48/524949048.db2.gz NRDGSZBHRSMRBD-HNNXBMFYSA-N 0 0 448.466 4.177 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC(C)C)cc3c2)cc1C ZINC000020447944 525006176 /nfs/dbraw/zinc/00/61/76/525006176.db2.gz AHIJDMDPPPFUSS-UHFFFAOYSA-N 0 0 432.567 4.182 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000020490094 525023922 /nfs/dbraw/zinc/02/39/22/525023922.db2.gz RITTVDBRSRUOHO-UHFFFAOYSA-N 0 0 436.533 4.399 40 0 IIABRN Cc1ccccc1-n1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccccn1 ZINC000035289307 525024860 /nfs/dbraw/zinc/02/48/60/525024860.db2.gz IMIUGUWPIKSXMX-UHFFFAOYSA-N 0 0 429.549 4.089 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000022232083 525157090 /nfs/dbraw/zinc/15/70/90/525157090.db2.gz CKSDBDCPOPIIRG-UHFFFAOYSA-N 0 0 444.940 4.324 40 0 IIABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)Oc2ccccc21 ZINC000020459185 525187289 /nfs/dbraw/zinc/18/72/89/525187289.db2.gz XRCHJZYDPINXQW-FQEVSTJZSA-N 0 0 440.546 4.004 40 0 IIABRN C[C@]1(O)CC(=O)[C@H](C(=O)Nc2ccccc2)[C@H](c2cccs2)[C@@H]1C(=O)Nc1ccccc1 ZINC000035074149 525301910 /nfs/dbraw/zinc/30/19/10/525301910.db2.gz MLGQZBLTNRFMRE-FUCAVZNHSA-N 0 0 448.544 4.065 40 0 IIABRN Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c(Br)c2)ccc1Cl ZINC000020611648 525365791 /nfs/dbraw/zinc/36/57/91/525365791.db2.gz KKOLGZCQRMEWOI-UHFFFAOYSA-N 0 0 439.737 4.265 40 0 IIABRN Cc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020484158 525423447 /nfs/dbraw/zinc/42/34/47/525423447.db2.gz RMSWIRFHTFUVMJ-UHFFFAOYSA-N 0 0 444.940 4.258 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl ZINC000013674860 525532708 /nfs/dbraw/zinc/53/27/08/525532708.db2.gz WZBHMMCISMRWMU-MRXNPFEDSA-N 0 0 432.973 4.352 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCc2cccc(C)c2)C(=O)c2csnn2)o1 ZINC000012872724 525676648 /nfs/dbraw/zinc/67/66/48/525676648.db2.gz PINCVQPYZDKVQL-FQEVSTJZSA-N 0 0 440.569 4.089 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022397476 525695109 /nfs/dbraw/zinc/69/51/09/525695109.db2.gz DEDODLKGEHXAIM-QGZVFWFLSA-N 0 0 444.503 4.346 40 0 IIABRN Cc1ccsc1[C@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000012867833 525887099 /nfs/dbraw/zinc/88/70/99/525887099.db2.gz NHPUADIZPDLUQW-MRXNPFEDSA-N 0 0 432.546 4.350 40 0 IIABRN Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3OCCc4ccccc43)[C@@H]2C1 ZINC000012755789 525978691 /nfs/dbraw/zinc/97/86/91/525978691.db2.gz JWZAFMRSUWZQLR-SWHJIRTISA-N 0 0 444.531 4.118 40 0 IIABRN C[C@H](C(=O)NC1CC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467338 526028313 /nfs/dbraw/zinc/02/83/13/526028313.db2.gz SRFOQZUHHOLZKN-GEVWXPSMSA-N 0 0 445.579 4.054 40 0 biogenic,in-vitro IIABRN Cc1ccc([C@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(c2cccc(C)c2)[C@@H]4C(=O)NC2CCCC2)cc1 ZINC000012645303 526047212 /nfs/dbraw/zinc/04/72/12/526047212.db2.gz OUPZYSHUTFFDHB-QTDWVDHPSA-N 0 0 442.559 4.185 40 0 IIABRN Cc1nnc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C(C)(C)C)CC4)s1 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GFGMGMPEPQFRDB-LJQANCHMSA-N 0 0 446.661 4.481 40 0 IIABRN Cc1sc2ncn3c(SCC(=O)Nc4nc5c(s4)CCCC5)nnc3c2c1C ZINC000012640682 526899401 /nfs/dbraw/zinc/89/94/01/526899401.db2.gz RDLBUVNDNXRTCO-UHFFFAOYSA-N 0 0 430.584 4.022 40 0 IIABRN NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000012254587 527036217 /nfs/dbraw/zinc/03/62/17/527036217.db2.gz UMQRIFILBPOPGH-UHFFFAOYSA-N 0 0 425.891 4.075 40 0 IIABRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1nccs1 ZINC000035289527 527078959 /nfs/dbraw/zinc/07/89/59/527078959.db2.gz URDSPALBGJHSDA-UHFFFAOYSA-N 0 0 428.930 4.170 40 0 IIABRN O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)Nc1ccc2c(c1)OCCO2 ZINC000016769188 527414307 /nfs/dbraw/zinc/41/43/07/527414307.db2.gz BDOBLJNXEOLEIS-UHFFFAOYSA-N 0 0 444.516 4.480 40 0 IIABRN O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1F ZINC000012870008 527508945 /nfs/dbraw/zinc/50/89/45/527508945.db2.gz SOOVGQIJQCNVBP-FQEVSTJZSA-N 0 0 442.491 4.263 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 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Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 ZINC000408582298 555933927 /nfs/dbraw/zinc/93/39/27/555933927.db2.gz CDAFPYXOWJZXFO-UHFFFAOYSA-N 0 0 436.961 4.277 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)c(C)c1 ZINC000408585211 555935495 /nfs/dbraw/zinc/93/54/95/555935495.db2.gz XRGZABNJIYOQBL-UHFFFAOYSA-N 0 0 436.961 4.195 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408584354 555936895 /nfs/dbraw/zinc/93/68/95/555936895.db2.gz OQCXWVRYYJXEIA-GOSISDBHSA-N 0 0 438.549 4.247 40 0 IIABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408586310 555938864 /nfs/dbraw/zinc/93/88/64/555938864.db2.gz BCTQPTMFDUJMHD-GFCCVEGCSA-N 0 0 431.341 4.086 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c(C)c1 ZINC000408593911 555960118 /nfs/dbraw/zinc/96/01/18/555960118.db2.gz QOYOSKANSGWZLM-SFHVURJKSA-N 0 0 430.570 4.320 40 0 IIABRN C[C@@H](Oc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1)C(=O)NC1CCCCC1 ZINC000408595893 555962813 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4.125 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408615926 555986841 /nfs/dbraw/zinc/98/68/41/555986841.db2.gz DACDWRZSIKPPNC-UHFFFAOYSA-N 0 0 438.593 4.351 40 0 IIABRN Cc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)cc1 ZINC000408616489 555987352 /nfs/dbraw/zinc/98/73/52/555987352.db2.gz GUHXMVIWBVXUSD-UHFFFAOYSA-N 0 0 438.593 4.275 40 0 IIABRN CCOc1c(I)cc(C(=O)Nc2cc(F)ccc2C)cc1OC ZINC000408620970 555989932 /nfs/dbraw/zinc/98/99/32/555989932.db2.gz NEIQVAMCXROMCR-UHFFFAOYSA-N 0 0 429.229 4.398 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2CC)c(Cl)c1 ZINC000408623122 555992059 /nfs/dbraw/zinc/99/20/59/555992059.db2.gz OZIVMIDXRANVFL-UHFFFAOYSA-N 0 0 438.977 4.307 40 0 IIABRN CCC(CC)COC(=O)CC(O)(CC(=O)OCC(CC)CC)C(=O)OCC(CC)CC ZINC000004536799 556000225 /nfs/dbraw/zinc/00/02/25/556000225.db2.gz WRLNWKVHTRIXSF-UHFFFAOYSA-N 0 0 444.609 4.436 40 0 IIABRN COC(C)(C)CN(CCCNC(=S)Nc1ccccc1)C(=S)Nc1ccccc1 ZINC000004826331 556013705 /nfs/dbraw/zinc/01/37/05/556013705.db2.gz IQWHZZLXFAEWPU-UHFFFAOYSA-N 0 0 430.643 4.487 40 0 IIABRN CC(=O)Nc1ccc(-c2nc(SCC(=O)Nc3cccc(Cl)c3Cl)n[nH]2)cc1 ZINC000408638279 556015548 /nfs/dbraw/zinc/01/55/48/556015548.db2.gz QQJCXWPEWASCCX-UHFFFAOYSA-N 0 0 436.324 4.468 40 0 IIABRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)c1 ZINC000408639119 556016141 /nfs/dbraw/zinc/01/61/41/556016141.db2.gz VGPBSPTWJBHRFP-UHFFFAOYSA-N 0 0 447.314 4.188 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1Cl ZINC000408642172 556017927 /nfs/dbraw/zinc/01/79/27/556017927.db2.gz DQXHDTZDLIZBJI-LLVKDONJSA-N 0 0 426.683 4.426 40 0 IIABRN O=C(C(=O)N1CCN(c2ccccc2F)CC1)c1c(-c2ccccc2)cc2ccccn21 ZINC000408636903 556019868 /nfs/dbraw/zinc/01/98/68/556019868.db2.gz VVBTUUQFDYGCGI-UHFFFAOYSA-N 0 0 427.479 4.277 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(C)c1C ZINC000408647087 556022521 /nfs/dbraw/zinc/02/25/21/556022521.db2.gz RSFSXDHWSYCNGC-UHFFFAOYSA-N 0 0 432.904 4.256 40 0 IIABRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408652173 556025712 /nfs/dbraw/zinc/02/57/12/556025712.db2.gz FOWKOKPYKHALMV-HIFRSBDPSA-N 0 0 435.307 4.085 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c(C)c1 ZINC000408648309 556028834 /nfs/dbraw/zinc/02/88/34/556028834.db2.gz XHMXZAPVOHHTIC-UHFFFAOYSA-N 0 0 432.904 4.256 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408652255 556032660 /nfs/dbraw/zinc/03/26/60/556032660.db2.gz GBYQQIRKWRHQPH-QGZVFWFLSA-N 0 0 448.450 4.153 40 0 IIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H]([C@]1(O)c3ccccc3NC1=O)C2=O ZINC000118916098 556036059 /nfs/dbraw/zinc/03/60/59/556036059.db2.gz ANRFRODGBYZULY-AVSHHIKASA-N 0 0 437.580 4.025 40 0 IIABRN CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408660573 556040671 /nfs/dbraw/zinc/04/06/71/556040671.db2.gz AWMHMNRSTZGRSH-UHFFFAOYSA-N 0 0 437.279 4.097 40 0 IIABRN O=C(CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1 ZINC000408663259 556046006 /nfs/dbraw/zinc/04/60/06/556046006.db2.gz MURRORWLLFAPFT-UHFFFAOYSA-N 0 0 427.259 4.423 40 0 IIABRN CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O ZINC000408664524 556052339 /nfs/dbraw/zinc/05/23/39/556052339.db2.gz QQALCGKWOIMVCR-GOSISDBHSA-N 0 0 442.943 4.308 40 0 IIABRN O=C1[C@H]2[C@@H](C(=O)N1c1nccs1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408670597 556058166 /nfs/dbraw/zinc/05/81/66/556058166.db2.gz IPYNANVPSFBAAE-NHUHVJRWSA-N 0 0 437.318 4.046 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000408669632 556058961 /nfs/dbraw/zinc/05/89/61/556058961.db2.gz XOTZFGHMIOKILX-UHFFFAOYSA-N 0 0 433.302 4.048 40 0 IIABRN COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@H]2C)OCO4)c(OC)c1OC ZINC000005765726 556065102 /nfs/dbraw/zinc/06/51/02/556065102.db2.gz PZQFCJYFEVRMMG-JCVZSFDNSA-N 0 0 441.524 4.414 40 0 IIABRN O=C(Oc1ccc(Cl)cc1)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 ZINC000035304300 556072758 /nfs/dbraw/zinc/07/27/58/556072758.db2.gz LAHWRBYYZCIINB-UHFFFAOYSA-N 0 0 429.819 4.303 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1OCC ZINC000408679543 556074073 /nfs/dbraw/zinc/07/40/73/556074073.db2.gz NNXVCRHPKPXUGZ-UHFFFAOYSA-N 0 0 447.981 4.488 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000408681005 556076013 /nfs/dbraw/zinc/07/60/13/556076013.db2.gz VOZOVWGWBUBYIR-UHFFFAOYSA-N 0 0 445.766 4.287 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1OCC ZINC000408680998 556076055 /nfs/dbraw/zinc/07/60/55/556076055.db2.gz VKCNWYPFLKIWMK-UHFFFAOYSA-N 0 0 429.991 4.349 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408684788 556084591 /nfs/dbraw/zinc/08/45/91/556084591.db2.gz OBTKBJMGRRBCHD-KYJSFNMBSA-N 0 0 428.891 4.458 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 ZINC000408690147 556090261 /nfs/dbraw/zinc/09/02/61/556090261.db2.gz ZUJFUQYJFMFALB-OAQYLSRUSA-N 0 0 444.535 4.097 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(OC(C)C)cc1 ZINC000408700379 556102311 /nfs/dbraw/zinc/10/23/11/556102311.db2.gz DYOHXXSEFPCHIJ-UHFFFAOYSA-N 0 0 430.570 4.455 40 0 IIABRN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)cc1 ZINC000408700792 556102523 /nfs/dbraw/zinc/10/25/23/556102523.db2.gz LXQRYJCIAQLSKT-HXUWFJFHSA-N 0 0 444.597 4.420 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000408700411 556102526 /nfs/dbraw/zinc/10/25/26/556102526.db2.gz FQPJEDZIIMPWLA-UHFFFAOYSA-N 0 0 436.618 4.058 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000408702069 556105389 /nfs/dbraw/zinc/10/53/89/556105389.db2.gz BCBBLJVMGNXNEX-UHFFFAOYSA-N 0 0 446.569 4.155 40 0 IIABRN CCn1cc(CNC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cn1 ZINC000006878567 556107842 /nfs/dbraw/zinc/10/78/42/556107842.db2.gz VLVVGYIMVOTGJI-UHFFFAOYSA-N 0 0 439.463 4.161 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl ZINC000408703137 556107886 /nfs/dbraw/zinc/10/78/86/556107886.db2.gz NQRWRNGUAWEITK-UHFFFAOYSA-N 0 0 437.295 4.457 40 0 IIABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc(C)c1Cl ZINC000408705518 556111620 /nfs/dbraw/zinc/11/16/20/556111620.db2.gz HQHUANJBDANALR-IRXDYDNUSA-N 0 0 430.932 4.272 40 0 IIABRN Cc1cc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)ccc1Br ZINC000408705240 556113215 /nfs/dbraw/zinc/11/32/15/556113215.db2.gz ACZZWOAOYYRXHK-UHFFFAOYSA-N 0 0 443.338 4.082 40 0 IIABRN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000408708497 556115118 /nfs/dbraw/zinc/11/51/18/556115118.db2.gz IZKZADRLHXYOPP-UHFFFAOYSA-N 0 0 427.589 4.409 40 0 IIABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC2=CCCCC2)cc1 ZINC000408710083 556116528 /nfs/dbraw/zinc/11/65/28/556116528.db2.gz OAMNGJNHURUVDM-UHFFFAOYSA-N 0 0 433.552 4.124 40 0 IIABRN O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915345 556232501 /nfs/dbraw/zinc/23/25/01/556232501.db2.gz TVXBNNHLJSPBRH-JKIFEVAISA-N 0 0 433.213 4.097 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000013709377 556283896 /nfs/dbraw/zinc/28/38/96/556283896.db2.gz DTTKPPONBKBPSI-QGZVFWFLSA-N 0 0 426.538 4.276 40 0 IIABRN CC(C)C(NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)C(C)C ZINC000010008240 556320560 /nfs/dbraw/zinc/32/05/60/556320560.db2.gz KOTVMFXVOPNSGX-HNNXBMFYSA-N 0 0 449.444 4.332 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C)cc1 ZINC000010112948 556326217 /nfs/dbraw/zinc/32/62/17/556326217.db2.gz OEJBMAKSYLPXLR-UHFFFAOYSA-N 0 0 438.505 4.128 40 0 IIABRN C[C@@H]1Cc2cc(C(=O)N3CCc4ccccc4C3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010326189 556331193 /nfs/dbraw/zinc/33/11/93/556331193.db2.gz PZEGTTNOIFNTGT-GOSISDBHSA-N 0 0 432.545 4.025 40 0 IIABRN COc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010326880 556331491 /nfs/dbraw/zinc/33/14/91/556331491.db2.gz ZQKFIOGXQAEDTP-QGZVFWFLSA-N 0 0 436.533 4.396 40 0 IIABRN COC(=O)c1ccc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010331985 556332089 /nfs/dbraw/zinc/33/20/89/556332089.db2.gz KAXIGCZJSYCKMH-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN CN(c1ccc(C(=O)N2CCc3ccccc32)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010449315 556335179 /nfs/dbraw/zinc/33/51/79/556335179.db2.gz GSVIQJBBMYVVLZ-UHFFFAOYSA-N 0 0 426.925 4.368 40 0 IIABRN C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000014227860 556395433 /nfs/dbraw/zinc/39/54/33/556395433.db2.gz ZHNXZXFCRVIJBM-LLVKDONJSA-N 0 0 426.694 4.130 40 0 IIABRN COc1cc(CN2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)ccc1OC(C)C ZINC000012089648 556402088 /nfs/dbraw/zinc/40/20/88/556402088.db2.gz BAHNLTZILRSMHV-MHZLTWQESA-N 0 0 447.579 4.281 40 0 IIABRN Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC000014429812 556416505 /nfs/dbraw/zinc/41/65/05/556416505.db2.gz QHLUJWDFVXVLJV-UHFFFAOYSA-N 0 0 426.460 4.441 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000014463200 556419406 /nfs/dbraw/zinc/41/94/06/556419406.db2.gz DIARHDUFQJQJIE-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)ccc1OC ZINC000039420410 556436274 /nfs/dbraw/zinc/43/62/74/556436274.db2.gz MCCTVPSMZZOBTO-HXUWFJFHSA-N 0 0 439.903 4.266 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000015004517 556481225 /nfs/dbraw/zinc/48/12/25/556481225.db2.gz QZAJVBPLXCTNJY-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN Cc1cc(-c2cc(=O)n([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)nc2-c2ccco2)on1 ZINC000013226189 556499293 /nfs/dbraw/zinc/49/92/93/556499293.db2.gz ACNRXIYHSYRFNA-OAHLLOKOSA-N 0 0 430.464 4.155 40 0 IIABRN Cc1cnc(-c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)CCCOc2ccccc2F)cn1 ZINC000013227908 556500395 /nfs/dbraw/zinc/50/03/95/556500395.db2.gz FOSUZMFKBXNFRC-LJQANCHMSA-N 0 0 449.530 4.370 40 0 IIABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)ccc1Cl ZINC000030752787 556503587 /nfs/dbraw/zinc/50/35/87/556503587.db2.gz ONHHCALTQLSAPN-UHFFFAOYSA-N 0 0 448.722 4.089 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCCCCC1 ZINC000030753554 556503866 /nfs/dbraw/zinc/50/38/66/556503866.db2.gz KTWZCOMYOSJOOV-LJQANCHMSA-N 0 0 444.597 4.368 40 0 IIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)CC1(OCCO1)[C@H]1[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@H]12 ZINC000013408329 556504817 /nfs/dbraw/zinc/50/48/17/556504817.db2.gz HTNZYSVFPBNFFP-YAIJSEKYSA-N 0 0 434.573 4.057 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000030757587 556505226 /nfs/dbraw/zinc/50/52/26/556505226.db2.gz RIGZGQAIFVHJAL-HSZRJFAPSA-N 0 0 434.561 4.460 40 0 IIABRN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030857283 556510431 /nfs/dbraw/zinc/51/04/31/556510431.db2.gz YAWFDCXFLHECJR-JOCHJYFZSA-N 0 0 436.577 4.453 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c(C)c1 ZINC000030865889 556512213 /nfs/dbraw/zinc/51/22/13/556512213.db2.gz RCNPHSASMUXAJQ-GGAORHGYSA-N 0 0 442.625 4.155 40 0 IIABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030870881 556513449 /nfs/dbraw/zinc/51/34/49/556513449.db2.gz GUARSQVPZADIBZ-VWLOTQADSA-N 0 0 436.577 4.284 40 0 IIABRN CCCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 ZINC000013580859 556527407 /nfs/dbraw/zinc/52/74/07/556527407.db2.gz HWNQTBOAXDBSKU-GOSISDBHSA-N 0 0 448.560 4.216 40 0 IIABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581707 556528026 /nfs/dbraw/zinc/52/80/26/556528026.db2.gz HKMDXZOFJUZTTB-LJQANCHMSA-N 0 0 444.597 4.011 40 0 IIABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013582890 556528400 /nfs/dbraw/zinc/52/84/00/556528400.db2.gz WUIQNNJDHLICJS-UHFFFAOYSA-N 0 0 426.494 4.136 40 0 IIABRN C(=C\c1ccccc1)\COc1ccccc1[C@H](n1nc2ccccc2n1)N1CCOCC1 ZINC000032068214 556528498 /nfs/dbraw/zinc/52/84/98/556528498.db2.gz PIMGGIQTFBWETK-HYMLKPMKSA-N 0 0 426.520 4.403 40 0 IIABRN CCc1ccc(N2C(=O)c3c(C(=O)OC)nn(C45C[C@@H]6C[C@@H](CC(C)(C6)C4)C5)c3C2=O)cc1 ZINC000013583764 556528702 /nfs/dbraw/zinc/52/87/02/556528702.db2.gz WGEILXJYSGPPEZ-PISAZTPISA-N 0 0 447.535 4.348 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000015499497 556531239 /nfs/dbraw/zinc/53/12/39/556531239.db2.gz YLBIGLSSAWZDNQ-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000032125075 556533995 /nfs/dbraw/zinc/53/39/95/556533995.db2.gz MNVRWJWOPAMSPV-UHFFFAOYSA-N 0 0 445.610 4.422 40 0 IIABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000032127450 556536397 /nfs/dbraw/zinc/53/63/97/556536397.db2.gz RLHCFURVDNXNTB-UHFFFAOYSA-N 0 0 429.885 4.321 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000013633220 556540183 /nfs/dbraw/zinc/54/01/83/556540183.db2.gz HNEPOPDXTCSTCN-UHFFFAOYSA-N 0 0 440.521 4.137 40 0 IIABRN Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1C ZINC000032508747 556540441 /nfs/dbraw/zinc/54/04/41/556540441.db2.gz XXIFANVJEVPLKB-WOJBJXKFSA-N 0 0 435.014 4.227 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000032640417 556544835 /nfs/dbraw/zinc/54/48/35/556544835.db2.gz ALBSEBJRVBJPOL-DOTOQJQBSA-N 0 0 446.903 4.032 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640501 556545119 /nfs/dbraw/zinc/54/51/19/556545119.db2.gz STVQYEBLSDAKTK-DLBZAZTESA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3ccccc3)[C@@H]2C1 ZINC000032640788 556545435 /nfs/dbraw/zinc/54/54/35/556545435.db2.gz XAKRVDZAZQVUGL-DLBZAZTESA-N 0 0 427.378 4.268 40 0 IIABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000013669259 556550115 /nfs/dbraw/zinc/55/01/15/556550115.db2.gz RJRFFJJRCXEDRG-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN CCOc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013672380 556552683 /nfs/dbraw/zinc/55/26/83/556552683.db2.gz GXQXCJVRFZXXIK-UHFFFAOYSA-N 0 0 442.512 4.367 40 0 IIABRN O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013676896 556554831 /nfs/dbraw/zinc/55/48/31/556554831.db2.gz ZCJAVGZYAWKFCV-ZDUSSCGKSA-N 0 0 445.343 4.313 40 0 IIABRN Cc1cccc(N(Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)S(C)(=O)=O)c1 ZINC000013679875 556556194 /nfs/dbraw/zinc/55/61/94/556556194.db2.gz XPICCTSTEWPCOU-UHFFFAOYSA-N 0 0 434.561 4.160 40 0 IIABRN O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013681253 556556811 /nfs/dbraw/zinc/55/68/11/556556811.db2.gz BTDDKVDREYLBHL-AWEZNQCLSA-N 0 0 445.343 4.313 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016162340 556586574 /nfs/dbraw/zinc/58/65/74/556586574.db2.gz ZYNHRENWNBFNIU-UHFFFAOYSA-N 0 0 430.570 4.004 40 0 IIABRN CCc1nnc2sc(-c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)nn12 ZINC000016162685 556586743 /nfs/dbraw/zinc/58/67/43/556586743.db2.gz ALTJGUDQWMZJHU-UHFFFAOYSA-N 0 0 427.917 4.395 40 0 IIABRN COc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000100799151 556591229 /nfs/dbraw/zinc/59/12/29/556591229.db2.gz PUCZXUVHKHVZFL-SGNDLWITSA-N 0 0 444.487 4.063 40 0 IIABRN Cc1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@@H](C=Cc4ccccc4)[C@H]3C2=O)cc1 ZINC000100818648 556591620 /nfs/dbraw/zinc/59/16/20/556591620.db2.gz KIJOSTTWYVGZCQ-MOIUEFAMSA-N 0 0 434.542 4.206 40 0 IIABRN COc1ccc(NC(=O)c2ccccc2I)cc1Br ZINC000016226650 556592795 /nfs/dbraw/zinc/59/27/95/556592795.db2.gz QLUCSLXVJOMXNS-UHFFFAOYSA-N 0 0 432.055 4.315 40 0 IIABRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)COc2ccc(Br)cc2)c1 ZINC000016323031 556600610 /nfs/dbraw/zinc/60/06/10/556600610.db2.gz NPBXQWHEAGWCBX-UHFFFAOYSA-N 0 0 437.359 4.344 40 0 IIABRN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000016493066 556612757 /nfs/dbraw/zinc/61/27/57/556612757.db2.gz AGGSFVCFVUXKRX-UHFFFAOYSA-N 0 0 431.561 4.313 40 0 IIABRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 ZINC000038751953 556615789 /nfs/dbraw/zinc/61/57/89/556615789.db2.gz NWAZXTGMAVXBIS-WZONZLPQSA-N 0 0 440.540 4.194 40 0 IIABRN CCc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O ZINC000038756036 556617891 /nfs/dbraw/zinc/61/78/91/556617891.db2.gz WRTSLTALUUTXGV-VWLOTQADSA-N 0 0 436.577 4.229 40 0 IIABRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c(OC)c1 ZINC000016635602 556618929 /nfs/dbraw/zinc/61/89/29/556618929.db2.gz TXODJQUYHYUARJ-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccncc4Cl)C[C@H]2N(C)C3=O)c1 ZINC000514288718 556625175 /nfs/dbraw/zinc/62/51/75/556625175.db2.gz ATRLBCGZANNYDH-VWNXMTODSA-N 0 0 449.938 4.128 40 0 biogenic,in-vitro IIABRN COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)n2c3ccccc3nc21 ZINC000039963985 556630743 /nfs/dbraw/zinc/63/07/43/556630743.db2.gz VUSAVEUKBVFIIO-SFHVURJKSA-N 0 0 446.429 4.008 40 0 IIABRN COc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3ccc(C)cc3)c3nc4ccccc4n32)c1 ZINC000039963999 556631081 /nfs/dbraw/zinc/63/10/81/556631081.db2.gz IHADKDGSFVQAMW-QHCPKHFHSA-N 0 0 440.503 4.470 40 0 IIABRN CCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985187 556631531 /nfs/dbraw/zinc/63/15/31/556631531.db2.gz UICMAPLNNCLTSG-UHFFFAOYSA-N 0 0 445.766 4.060 40 0 IIABRN CCN(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985182 556631581 /nfs/dbraw/zinc/63/15/81/556631581.db2.gz AUTVEDWZVKJEOX-UHFFFAOYSA-N 0 0 439.375 4.222 40 0 IIABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000039985369 556631824 /nfs/dbraw/zinc/63/18/24/556631824.db2.gz BQMVLMMXPZLNDG-UHFFFAOYSA-N 0 0 440.521 4.185 40 0 IIABRN COc1ccc(C=Cc2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)c(OC)c1 ZINC000040388528 556636381 /nfs/dbraw/zinc/63/63/81/556636381.db2.gz DBTQQIBNFLKOCC-BQYQJAHWSA-N 0 0 440.503 4.068 40 0 IIABRN COCc1nn2c(ncc3c2ccn(CCc2ccccc2OC)c3=O)c1-c1ccccc1 ZINC000040396410 556639015 /nfs/dbraw/zinc/63/90/15/556639015.db2.gz GANKMUIJGPMXQE-UHFFFAOYSA-N 0 0 440.503 4.109 40 0 IIABRN Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(Nc2ccc3ccccc3c2)n1 ZINC000016756284 556639188 /nfs/dbraw/zinc/63/91/88/556639188.db2.gz QFQZNPQZSGRRHV-UHFFFAOYSA-N 0 0 445.958 4.326 40 0 IIABRN COc1ccccc1CCn1ccc2c(cnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O ZINC000040396924 556639220 /nfs/dbraw/zinc/63/92/20/556639220.db2.gz GLHRMHLRWFGPKS-UHFFFAOYSA-N 0 0 428.467 4.410 40 0 IIABRN COc1ccccc1Cn1ccc2nc3nc(C)nn3c(-c3ccccc3Cl)c2c1=O ZINC000040398403 556640291 /nfs/dbraw/zinc/64/02/91/556640291.db2.gz JYHQNMGMSBYYCE-UHFFFAOYSA-N 0 0 431.883 4.125 40 0 IIABRN Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)cc1 ZINC000040400385 556643285 /nfs/dbraw/zinc/64/32/85/556643285.db2.gz OEDPAOBSAINYEU-GOSISDBHSA-N 0 0 439.475 4.040 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000016960258 556651213 /nfs/dbraw/zinc/65/12/13/556651213.db2.gz RBFAIHRNJSLVBA-UHFFFAOYSA-N 0 0 426.460 4.061 40 0 IIABRN CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@@H](CC[C@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000043772333 556665318 /nfs/dbraw/zinc/66/53/18/556665318.db2.gz GGXICVAJURFBLW-QKMKSKRWSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000044900112 556676982 /nfs/dbraw/zinc/67/69/82/556676982.db2.gz NDGKNXJXZQSJEB-CQSZACIVSA-N 0 0 429.369 4.115 40 0 IIABRN COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000044902427 556678468 /nfs/dbraw/zinc/67/84/68/556678468.db2.gz PXGOEDDSVXVLGZ-UHFFFAOYSA-N 0 0 444.940 4.122 40 0 IIABRN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000044908897 556680467 /nfs/dbraw/zinc/68/04/67/556680467.db2.gz UNXVMKNRAFTIGS-UHFFFAOYSA-N 0 0 431.374 4.165 40 0 IIABRN COc1cc(C(N)=O)cc(I)c1OCc1cccc2ccccc21 ZINC000226325380 556684192 /nfs/dbraw/zinc/68/41/92/556684192.db2.gz VPKIVXFQQQOXMM-UHFFFAOYSA-N 0 0 433.245 4.131 40 0 IIABRN COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000226337247 556684427 /nfs/dbraw/zinc/68/44/27/556684427.db2.gz DRULQCFKFKBMJP-QPJJXVBHSA-N 0 0 441.119 4.298 40 0 IIABRN Nc1nnc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@H]2c2ccco2)s1 ZINC000097655607 556687517 /nfs/dbraw/zinc/68/75/17/556687517.db2.gz NJSRVENLYOCNJJ-HMSRSJDVSA-N 0 0 441.538 4.222 40 0 IIABRN COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000018224268 556687727 /nfs/dbraw/zinc/68/77/27/556687727.db2.gz UETZXOIQVRBLAJ-LLVKDONJSA-N 0 0 428.710 4.376 40 0 IIABRN CC(C)(C)C(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)N2CCOCC2)C1 ZINC000019080995 556695926 /nfs/dbraw/zinc/69/59/26/556695926.db2.gz BCJKZSKGGCVSMJ-MHZLTWQESA-N 0 0 434.580 4.020 40 0 IIABRN COc1ccc(CN(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000000800158 556695997 /nfs/dbraw/zinc/69/59/97/556695997.db2.gz JXIHPPJXPUSZJJ-GOSISDBHSA-N 0 0 440.487 4.448 40 0 IIABRN CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082359 556697361 /nfs/dbraw/zinc/69/73/61/556697361.db2.gz NLTGBYBPOLBEQY-ZTFGCOKTSA-N 0 0 441.542 4.065 40 0 IIABRN CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000828354 556699900 /nfs/dbraw/zinc/69/99/00/556699900.db2.gz ONODRMNQEWHING-UHFFFAOYSA-N 0 0 434.517 4.088 40 0 IIABRN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)on1 ZINC000019122987 556701989 /nfs/dbraw/zinc/70/19/89/556701989.db2.gz BSODDWPMZKLTSA-UHFFFAOYSA-N 0 0 439.466 4.312 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc2c(c1)CCCC2 ZINC000257213584 556702661 /nfs/dbraw/zinc/70/26/61/556702661.db2.gz CIEWXJZIELZWTK-VPUSJEBWSA-N 0 0 434.580 4.344 40 0 IIABRN COc1ccc(C)cc1CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 ZINC000019133036 556705086 /nfs/dbraw/zinc/70/50/86/556705086.db2.gz FSOZZWDZMLUWOH-JOCHJYFZSA-N 0 0 445.567 4.218 40 0 IIABRN COc1cccc(Cc2cc(C)nc([C@H]3CN(CC(=O)Nc4ccc(F)cc4)CCO3)c2)c1 ZINC000257330277 556705536 /nfs/dbraw/zinc/70/55/36/556705536.db2.gz XNRDJXJFWXXIEN-RUZDIDTESA-N 0 0 449.526 4.141 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257336765 556706730 /nfs/dbraw/zinc/70/67/30/556706730.db2.gz YPYJKKJRHQKQLF-BVAGGSTKSA-N 0 0 449.526 4.222 40 0 IIABRN Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](c4ccc(O)cc4)N(c4ccccc4)O[C@@H]3C2=O)c(C)c1 ZINC000013648244 556707056 /nfs/dbraw/zinc/70/70/56/556707056.db2.gz QDYNHOKMRBDKAV-NHTMILBNSA-N 0 0 428.488 4.369 40 0 IIABRN CCCN1CCN(C(=O)c2cccc(OC)c2)[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257243454 556710711 /nfs/dbraw/zinc/71/07/11/556710711.db2.gz IHAGQDVJXDJVCS-RUZDIDTESA-N 0 0 443.547 4.063 40 0 IIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)N[C@@H]3CCCOC3)CCOCC2)cc1 ZINC000257246273 556710978 /nfs/dbraw/zinc/71/09/78/556710978.db2.gz ITKIFOOAHQUFQX-OAQYLSRUSA-N 0 0 427.516 4.136 40 0 IIABRN Cc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4cccc5cccnc54)C3)o2)s1 ZINC000019217663 556713170 /nfs/dbraw/zinc/71/31/70/556713170.db2.gz HCDUQPHQVWXUQD-MRXNPFEDSA-N 0 0 440.550 4.223 40 0 IIABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)Cn4cncn4)C3)c(-c3ccncc3)c2c1 ZINC000019220129 556714415 /nfs/dbraw/zinc/71/44/15/556714415.db2.gz KSKDTFNKGRTSKE-ICSRJNTNSA-N 0 0 428.540 4.172 40 0 IIABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H](C)Cn4cncn4)C3)c(-c3ccncc3)c2c1 ZINC000019220123 556714527 /nfs/dbraw/zinc/71/45/27/556714527.db2.gz KSKDTFNKGRTSKE-AZUAARDMSA-N 0 0 428.540 4.172 40 0 IIABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@@H](C)n4cncn4)C3)c(-c3ccncc3)c2c1 ZINC000019220203 556714744 /nfs/dbraw/zinc/71/47/44/556714744.db2.gz JSYSTOIYIAGIOX-QUCCMNQESA-N 0 0 428.540 4.487 40 0 IIABRN Cc1ccc2oc(C(=O)N3CCNC(=O)[C@@H](Cc4ccccc4-c4ccncc4)C3)cc2c1 ZINC000019221340 556715383 /nfs/dbraw/zinc/71/53/83/556715383.db2.gz QOHBPXQMDGOPNV-QFIPXVFZSA-N 0 0 439.515 4.234 40 0 IIABRN Cc1cccc(-c2ccccc2C[C@@]2(C(=O)NC(C)C)CCN(C(=O)c3cnccn3)C2)c1 ZINC000019235523 556720129 /nfs/dbraw/zinc/72/01/29/556720129.db2.gz AFPMMGHDFNUKBQ-MHZLTWQESA-N 0 0 442.563 4.052 40 0 IIABRN COc1ccccc1CC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1 ZINC000019235484 556720193 /nfs/dbraw/zinc/72/01/93/556720193.db2.gz IOMSFJUTWRXBIP-MUUNZHRXSA-N 0 0 442.559 4.160 40 0 IIABRN Cc1ccccc1CCNC(=O)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 ZINC000019237132 556722119 /nfs/dbraw/zinc/72/21/19/556722119.db2.gz XZBRSBHGXAZQHI-UHFFFAOYSA-N 0 0 435.499 4.114 40 0 IIABRN Cc1ccccc1-c1noc([C@H]2CN(C(=O)c3ccc4c(c3)ncn4C(C)C)CCO2)n1 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/nfs/dbraw/zinc/89/70/75/556897075.db2.gz JWYXAHRKUBMGHG-NRFANRHFSA-N 0 0 446.555 4.210 40 0 IIABRN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ncc(C(=O)NCc2ccccc2)c(C)n1 ZINC000019755207 556898640 /nfs/dbraw/zinc/89/86/40/556898640.db2.gz CFXXZUNMRGKYLO-DEOSSOPVSA-N 0 0 446.599 4.446 40 0 IIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000408956263 556900305 /nfs/dbraw/zinc/90/03/05/556900305.db2.gz QEZRGWVDFOZNBG-ZXLZKYRFSA-N 0 0 425.234 4.400 40 0 IIABRN COCc1ccc(C(=O)N2CCC3(C[C@]4(CO3)Nc3ccccc3-n3cccc34)CC2)cc1 ZINC000072327286 556903906 /nfs/dbraw/zinc/90/39/06/556903906.db2.gz MATKOGZDYVUNHP-HHHXNRCGSA-N 0 0 443.547 4.340 40 0 IIABRN COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019761277 556904415 /nfs/dbraw/zinc/90/44/15/556904415.db2.gz JTEIMKLMICOZIX-OAHLLOKOSA-N 0 0 437.927 4.228 40 0 IIABRN COc1c(C)cccc1C(=O)N1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761862 556905658 /nfs/dbraw/zinc/90/56/58/556905658.db2.gz IPZUHHCMZQKGGG-SFHVURJKSA-N 0 0 431.536 4.320 40 0 IIABRN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(=O)N4CCCCC4)CC3)c12 ZINC000072336024 556909117 /nfs/dbraw/zinc/90/91/17/556909117.db2.gz LEGXTCJMAVTBGK-UHFFFAOYSA-N 0 0 439.604 4.019 40 0 IIABRN COc1ccc(C(=O)Oc2ccccc2/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1 ZINC000408985465 556909220 /nfs/dbraw/zinc/90/92/20/556909220.db2.gz KSCHCYJCQAQYQI-QNGOZBTKSA-N 0 0 429.428 4.268 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765507 556909965 /nfs/dbraw/zinc/90/99/65/556909965.db2.gz JFLOSFFKOYALGF-HXUWFJFHSA-N 0 0 438.547 4.140 40 0 IIABRN Cc1nc([C@@H]2CCCCN2Cc2cc(Cl)c3c(c2)OCCCO3)ncc1C(=O)N(C)C ZINC000019765568 556910246 /nfs/dbraw/zinc/91/02/46/556910246.db2.gz KSROTOSAMCDVJV-IBGZPJMESA-N 0 0 444.963 4.029 40 0 IIABRN COc1ccccc1C1(O)CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 ZINC000072338737 556911120 /nfs/dbraw/zinc/91/11/20/556911120.db2.gz YVCJRDCDHNYZRC-UHFFFAOYSA-N 0 0 445.548 4.159 40 0 IIABRN COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)CC3CCCC3)CC2)nc1N ZINC000019766374 556911624 /nfs/dbraw/zinc/91/16/24/556911624.db2.gz BLIXMNSHPSEYKM-UHFFFAOYSA-N 0 0 436.556 4.211 40 0 IIABRN Cc1cc(Br)c(NC(=O)[C@@H]2CCC(=O)N2C(=O)OCc2ccccc2)cc1C ZINC000409005066 556915601 /nfs/dbraw/zinc/91/56/01/556915601.db2.gz YYOWCBQZSSWWKD-SFHVURJKSA-N 0 0 445.313 4.332 40 0 IIABRN CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000072345019 556916340 /nfs/dbraw/zinc/91/63/40/556916340.db2.gz NZEHZHQKIUJICN-JOCHJYFZSA-N 0 0 431.580 4.392 40 0 IIABRN C[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 ZINC000072344994 556916342 /nfs/dbraw/zinc/91/63/42/556916342.db2.gz WUKVPVHRUXDAHU-QGZVFWFLSA-N 0 0 430.483 4.372 40 0 IIABRN CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000072345062 556916637 /nfs/dbraw/zinc/91/66/37/556916637.db2.gz GAOPGGXGTWWTGO-UHFFFAOYSA-N 0 0 448.592 4.115 40 0 IIABRN Cc1ccc(CN(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409003611 556916923 /nfs/dbraw/zinc/91/69/23/556916923.db2.gz IFJNJTAHNJQETH-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000072346033 556917303 /nfs/dbraw/zinc/91/73/03/556917303.db2.gz XBOAQXFYTXODNZ-OAHLLOKOSA-N 0 0 427.430 4.159 40 0 IIABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cc1 ZINC000072346163 556917422 /nfs/dbraw/zinc/91/74/22/556917422.db2.gz RJXTYBDBCYSIQH-GOSISDBHSA-N 0 0 449.942 4.357 40 0 IIABRN C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)cc2N1 ZINC000072346536 556917995 /nfs/dbraw/zinc/91/79/95/556917995.db2.gz NODGNIUVCOKHQJ-PXAZEXFGSA-N 0 0 436.434 4.119 40 0 IIABRN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Cl ZINC000409011503 556918182 /nfs/dbraw/zinc/91/81/82/556918182.db2.gz NORIUYFSZQOLSU-NCUBORBFSA-N 0 0 445.878 4.188 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)cc1 ZINC000409012512 556918617 /nfs/dbraw/zinc/91/86/17/556918617.db2.gz ILLCJORYLOZNHJ-UHFFFAOYSA-N 0 0 427.526 4.301 40 0 IIABRN CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)Cc4ccccc4Cl)C3)c(=O)c12 ZINC000072347736 556919008 /nfs/dbraw/zinc/91/90/08/556919008.db2.gz XUKCGDMUGNEMFK-MRXNPFEDSA-N 0 0 429.973 4.388 40 0 IIABRN CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)c1C ZINC000072350180 556920477 /nfs/dbraw/zinc/92/04/77/556920477.db2.gz ORAIILDMJODSFB-GOSISDBHSA-N 0 0 444.988 4.495 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000019818603 556921234 /nfs/dbraw/zinc/92/12/34/556921234.db2.gz JVJZQKFFXBYPMJ-DHIUTWEWSA-N 0 0 443.478 4.491 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000019818606 556921246 /nfs/dbraw/zinc/92/12/46/556921246.db2.gz JVJZQKFFXBYPMJ-GOTSBHOMSA-N 0 0 443.478 4.491 40 0 IIABRN COC(=O)c1c(C)nc2ccn(-c3ccc(C(C)=O)cc3)c(=O)c2c1-c1ccc(OC)cc1 ZINC000019819262 556922017 /nfs/dbraw/zinc/92/20/17/556922017.db2.gz FRDGJMGHXPMYFR-UHFFFAOYSA-N 0 0 442.471 4.359 40 0 IIABRN COc1cc(C(=O)N2CCC(C(=O)Nc3cccc4ccccc43)CC2)cc(OC)c1OC ZINC000409022729 556923002 /nfs/dbraw/zinc/92/30/02/556923002.db2.gz QRAGTLWQYBCXGV-UHFFFAOYSA-N 0 0 448.519 4.357 40 0 IIABRN COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc(OC)c1OC ZINC000409022659 556923050 /nfs/dbraw/zinc/92/30/50/556923050.db2.gz NWZVAPVQWFTJPZ-UHFFFAOYSA-N 0 0 440.540 4.327 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccs1 ZINC000019820087 556923304 /nfs/dbraw/zinc/92/33/04/556923304.db2.gz MHFFLXSRDKLPCU-LEWJYISDSA-N 0 0 431.517 4.413 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccccc1 ZINC000409028302 556924564 /nfs/dbraw/zinc/92/45/64/556924564.db2.gz LNJNIQYDVRVZTA-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)nc2)n1 ZINC000072353078 556925311 /nfs/dbraw/zinc/92/53/11/556925311.db2.gz CIIOSXKJNUDSFF-OAQYLSRUSA-N 0 0 441.532 4.205 40 0 IIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ccc(Nc3ncccn3)cn2)cc1 ZINC000072353173 556925641 /nfs/dbraw/zinc/92/56/41/556925641.db2.gz YNNXIMLGTBZZDD-NRFANRHFSA-N 0 0 433.512 4.145 40 0 IIABRN COc1cccc(CN(C)CC(=O)N2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)c1 ZINC000072353237 556925992 /nfs/dbraw/zinc/92/59/92/556925992.db2.gz RWCBHOUINZRUQN-XMMPIXPASA-N 0 0 445.567 4.333 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)nc2)n1 ZINC000072353355 556926203 /nfs/dbraw/zinc/92/62/03/556926203.db2.gz IXKRAQYVRNHRBM-SFHVURJKSA-N 0 0 435.503 4.156 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1 ZINC000409027731 556926679 /nfs/dbraw/zinc/92/66/79/556926679.db2.gz PWRMQDHZOSQIJC-UHFFFAOYSA-N 0 0 442.581 4.206 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4cc(-c5ccc(N)nc5)cc(C)n4)C3)c2c1 ZINC000072353790 556928257 /nfs/dbraw/zinc/92/82/57/556928257.db2.gz IDYKAXPELXIXHI-SFHVURJKSA-N 0 0 426.524 4.239 40 0 IIABRN CCc1nnsc1C(=O)N1CCC[C@H](c2cc(Cc3ccccc3OC)cc(C)n2)C1 ZINC000072354188 556929352 /nfs/dbraw/zinc/92/93/52/556929352.db2.gz YPAHBUJSAAXGCC-IBGZPJMESA-N 0 0 436.581 4.423 40 0 IIABRN COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Br)c1OCc1ccccc1 ZINC000409042153 556929458 /nfs/dbraw/zinc/92/94/58/556929458.db2.gz BONLRCGTXOSEFN-YBEGLDIGSA-N 0 0 447.354 4.066 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Cc3ccccc3F)cc(C)n2)C1 ZINC000072354231 556929543 /nfs/dbraw/zinc/92/95/43/556929543.db2.gz YMPOXGLTYAHNBM-FQEVSTJZSA-N 0 0 443.544 4.293 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cs1 ZINC000072354887 556930132 /nfs/dbraw/zinc/93/01/32/556930132.db2.gz FISYMBAEEYIODP-KRWDZBQOSA-N 0 0 447.486 4.416 40 0 IIABRN COc1ccc2c(CN3CCO[C@@H](c4c5ccccc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072370212 556933914 /nfs/dbraw/zinc/93/39/14/556933914.db2.gz XXWPRWUHKZAFIB-HXUWFJFHSA-N 0 0 435.549 4.074 40 0 IIABRN NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1nc2cc(F)ccc2[nH]1 ZINC000072370393 556934659 /nfs/dbraw/zinc/93/46/59/556934659.db2.gz WLIBKFZEBACYPG-AWEZNQCLSA-N 0 0 436.512 4.253 40 0 IIABRN NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccnc(N2CCCC2)c1 ZINC000072370456 556934807 /nfs/dbraw/zinc/93/48/07/556934807.db2.gz RCUJRWVBDYVOQZ-GOSISDBHSA-N 0 0 448.592 4.233 40 0 IIABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867593 556934834 /nfs/dbraw/zinc/93/48/34/556934834.db2.gz IVGMGXSGUJKSKH-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019867938 556935020 /nfs/dbraw/zinc/93/50/20/556935020.db2.gz DOONMAOWOZUGAD-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868362 556935212 /nfs/dbraw/zinc/93/52/12/556935212.db2.gz KMDKHUIBKTUQJI-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccc(NC(C)=O)cc1 ZINC000072370580 556935336 /nfs/dbraw/zinc/93/53/36/556935336.db2.gz DMDZDKYZWIIANG-IBGZPJMESA-N 0 0 449.576 4.457 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)Cc2ccccc2F)cc1 ZINC000409058835 556935901 /nfs/dbraw/zinc/93/59/01/556935901.db2.gz LOUHIDOTGMFSBS-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)Cn1cccn1 ZINC000072370679 556935974 /nfs/dbraw/zinc/93/59/74/556935974.db2.gz MECRNHZKUNMZCH-SFHVURJKSA-N 0 0 438.597 4.250 40 0 IIABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N(C)Cc1nonc1C ZINC000072370784 556936443 /nfs/dbraw/zinc/93/64/43/556936443.db2.gz DZKHAGCIKLBBKC-QGZVFWFLSA-N 0 0 440.569 4.199 40 0 IIABRN COc1ccc(CC(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cc1 ZINC000072371361 556938248 /nfs/dbraw/zinc/93/82/48/556938248.db2.gz XGXRTGSQEYHEHU-SFHVURJKSA-N 0 0 439.943 4.252 40 0 IIABRN CCCNC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409054984 556938563 /nfs/dbraw/zinc/93/85/63/556938563.db2.gz OUQANCUNBNLCSY-UHFFFAOYSA-N 0 0 429.369 4.019 40 0 IIABRN Cc1cccn2cc(C(=O)N3CC[C@H](c4cc(CCOc5cccc(Cl)c5)n[nH]4)C3)nc12 ZINC000072371747 556940870 /nfs/dbraw/zinc/94/08/70/556940870.db2.gz QXDXXFQSTAZDIO-KRWDZBQOSA-N 0 0 449.942 4.270 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1 ZINC000072372520 556943121 /nfs/dbraw/zinc/94/31/21/556943121.db2.gz HBGKUZYPOYHFBT-FQEVSTJZSA-N 0 0 444.582 4.433 40 0 IIABRN Cc1cccc(OCCNc2cc([C@H](C)n3ncc4ccccc4c3=O)nc(C)n2)c1C ZINC000072373291 556946144 /nfs/dbraw/zinc/94/61/44/556946144.db2.gz LGCAKJLLYVWPRY-SFHVURJKSA-N 0 0 429.524 4.212 40 0 IIABRN COc1cc(OC)cc(-c2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)n[nH]2)c1 ZINC000019928967 556946920 /nfs/dbraw/zinc/94/69/20/556946920.db2.gz YNPHVXPCUJKVGL-UHFFFAOYSA-N 0 0 429.889 4.485 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)c1 ZINC000072373765 556946932 /nfs/dbraw/zinc/94/69/32/556946932.db2.gz HQCOZTZBGKPTRU-HSZRJFAPSA-N 0 0 443.551 4.119 40 0 IIABRN Cc1[nH]c2cccc(C(=O)N3CCC[C@@H](c4ccc(C(=O)NCC5CC5)cn4)C3)c2c1C ZINC000072374381 556947891 /nfs/dbraw/zinc/94/78/91/556947891.db2.gz NVRZEZGGFFBNTF-HXUWFJFHSA-N 0 0 430.552 4.339 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2ccc3c(NCc4ccccc4)n[nH]c3n2)c1 ZINC000072374515 556948201 /nfs/dbraw/zinc/94/82/01/556948201.db2.gz LLZLVQWYHDJXEJ-HSZRJFAPSA-N 0 0 441.535 4.485 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000019930865 556948536 /nfs/dbraw/zinc/94/85/36/556948536.db2.gz FIMPHQYGWSIPFV-DQEYMECFSA-N 0 0 448.588 4.078 40 0 IIABRN Cc1nonc1CC(=O)N1CC[C@H](c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)C1 ZINC000072374784 556948972 /nfs/dbraw/zinc/94/89/72/556948972.db2.gz JLIYBSAHJOFABL-SFHVURJKSA-N 0 0 444.457 4.250 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2ccccc2)cc1 ZINC000409093014 556949502 /nfs/dbraw/zinc/94/95/02/556949502.db2.gz YLLZCGIYMSEVBG-UHFFFAOYSA-N 0 0 430.476 4.103 40 0 IIABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)ccc1OCc1ccccc1 ZINC000409086905 556950696 /nfs/dbraw/zinc/95/06/96/556950696.db2.gz HWLXLGBKLIDWHL-OOWUWCJESA-N 0 0 441.505 4.262 40 0 IIABRN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3S(=O)(=O)c3ccccc3Cl)n2)n1 ZINC000072375282 556950751 /nfs/dbraw/zinc/95/07/51/556950751.db2.gz AZBHNQSYIFAGCK-GOSISDBHSA-N 0 0 443.960 4.411 40 0 IIABRN 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CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223039844 557419569 /nfs/dbraw/zinc/41/95/69/557419569.db2.gz SAMFLUSPTIVGRV-HXUWFJFHSA-N 0 0 438.568 4.032 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1c(Cl)cccc1Cl ZINC000223046489 557420624 /nfs/dbraw/zinc/42/06/24/557420624.db2.gz FUQLDDYUAXXQFF-UHFFFAOYSA-N 0 0 427.353 4.349 40 0 IIABRN COc1cccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223046309 557420767 /nfs/dbraw/zinc/42/07/67/557420767.db2.gz UYLILILSJQXOTA-LJQANCHMSA-N 0 0 426.557 4.186 40 0 IIABRN CCCCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000014135396 557422651 /nfs/dbraw/zinc/42/26/51/557422651.db2.gz PCMNKGROQCNOBK-UHFFFAOYSA-N 0 0 443.396 4.491 40 0 IIABRN COc1cccc(CN(C(=O)COc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223057092 557422922 /nfs/dbraw/zinc/42/29/22/557422922.db2.gz ZWMUTNXAFVTAAS-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223064224 557424204 /nfs/dbraw/zinc/42/42/04/557424204.db2.gz OZEOAJFVYANXGV-AWEZNQCLSA-N 0 0 437.765 4.198 40 0 IIABRN COc1ccc(CN(C(=O)CSCc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223090573 557429933 /nfs/dbraw/zinc/42/99/33/557429933.db2.gz ASRDOFCQMKLDKS-QGZVFWFLSA-N 0 0 446.588 4.400 40 0 IIABRN COc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)c(OC)c1 ZINC000014272867 557432257 /nfs/dbraw/zinc/43/22/57/557432257.db2.gz INRJTTUSGWFOAW-UHFFFAOYSA-N 0 0 445.107 4.490 40 0 IIABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)s2)cc1 ZINC000223108166 557432567 /nfs/dbraw/zinc/43/25/67/557432567.db2.gz KSTAIZKZDWFCQY-NSHDSACASA-N 0 0 434.315 4.382 40 0 IIABRN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223111142 557433067 /nfs/dbraw/zinc/43/30/67/557433067.db2.gz XAZKOQNDVJGMAL-XMMPIXPASA-N 0 0 440.609 4.372 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1C ZINC000223125490 557435209 /nfs/dbraw/zinc/43/52/09/557435209.db2.gz CHYJZIOPBXQGGG-ICSRJNTNSA-N 0 0 428.548 4.462 40 0 IIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223128268 557435762 /nfs/dbraw/zinc/43/57/62/557435762.db2.gz FIMUYMFIYRRFRH-XZOQPEGZSA-N 0 0 442.987 4.375 40 0 IIABRN C[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223169375 557441031 /nfs/dbraw/zinc/44/10/31/557441031.db2.gz IATHPNAEPZBKOK-CYBMUJFWSA-N 0 0 441.380 4.126 40 0 IIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOCC ZINC000223199488 557445183 /nfs/dbraw/zinc/44/51/83/557445183.db2.gz POPZQRMNQAOALJ-HSZRJFAPSA-N 0 0 428.548 4.109 40 0 IIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(=O)N1CCCC1 ZINC000223212406 557446718 /nfs/dbraw/zinc/44/67/18/557446718.db2.gz CLIMMCRHAACCCV-INIZCTEOSA-N 0 0 444.622 4.173 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(F)cc1 ZINC000223222514 557447532 /nfs/dbraw/zinc/44/75/32/557447532.db2.gz KELLDPWFEVYZRB-RUZDIDTESA-N 0 0 448.538 4.289 40 0 IIABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)CSc2ncccn2)cc1 ZINC000014608011 557448035 /nfs/dbraw/zinc/44/80/35/557448035.db2.gz GOZRQWXUUNOUFX-NRFANRHFSA-N 0 0 431.521 4.314 40 0 IIABRN CCC1(CC)C[C@@H](NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223245899 557450701 /nfs/dbraw/zinc/45/07/01/557450701.db2.gz IHIFOVIYHHZCKX-HXUWFJFHSA-N 0 0 444.597 4.268 40 0 IIABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000223263923 557452575 /nfs/dbraw/zinc/45/25/75/557452575.db2.gz ACEVLAPPDKNKHD-AREMUKBSSA-N 0 0 444.575 4.404 40 0 IIABRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000223263613 557452619 /nfs/dbraw/zinc/45/26/19/557452619.db2.gz VWOCEVUAZHIDFM-UHFFFAOYSA-N 0 0 426.925 4.021 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223269106 557453784 /nfs/dbraw/zinc/45/37/84/557453784.db2.gz AIINJZUJAZXVDQ-RUZDIDTESA-N 0 0 445.563 4.147 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 ZINC000223273784 557454609 /nfs/dbraw/zinc/45/46/09/557454609.db2.gz RVCUBMSWBFOYTN-VWLOTQADSA-N 0 0 445.563 4.003 40 0 IIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccnc1 ZINC000223300093 557457045 /nfs/dbraw/zinc/45/70/45/557457045.db2.gz CVKJWKOEESEKHV-PMOQBDJRSA-N 0 0 433.581 4.036 40 0 IIABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C(C)C ZINC000223335763 557460214 /nfs/dbraw/zinc/46/02/14/557460214.db2.gz JVQIIDTYQAFGKZ-KRWDZBQOSA-N 0 0 430.570 4.293 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223345503 557460840 /nfs/dbraw/zinc/46/08/40/557460840.db2.gz LFEJAZVMVRJPEF-GOSISDBHSA-N 0 0 440.540 4.461 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015340370 557461244 /nfs/dbraw/zinc/46/12/44/557461244.db2.gz JHWLCVAWDAMMFS-UHFFFAOYSA-N 0 0 442.968 4.210 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000015398153 557461568 /nfs/dbraw/zinc/46/15/68/557461568.db2.gz YXEAUBKHCYTPRF-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223360729 557462500 /nfs/dbraw/zinc/46/25/00/557462500.db2.gz NMLHWQJCKYLEFO-OAQYLSRUSA-N 0 0 446.975 4.450 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1C(C)C ZINC000223366785 557463285 /nfs/dbraw/zinc/46/32/85/557463285.db2.gz PGCXNICLSREYED-QGZVFWFLSA-N 0 0 432.586 4.322 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000223369256 557463581 /nfs/dbraw/zinc/46/35/81/557463581.db2.gz BSMIQGCYEXUQKW-KRWDZBQOSA-N 0 0 427.303 4.065 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223374385 557463991 /nfs/dbraw/zinc/46/39/91/557463991.db2.gz KGJJOMQFENJZAN-JOCHJYFZSA-N 0 0 428.598 4.099 40 0 IIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NCc4ccc(Cl)cc4)ccc32)cc1 ZINC000223373238 557464002 /nfs/dbraw/zinc/46/40/02/557464002.db2.gz OTXSLXIRRMKJDV-UHFFFAOYSA-N 0 0 440.952 4.330 40 0 IIABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21 ZINC000223379139 557465038 /nfs/dbraw/zinc/46/50/38/557465038.db2.gz IEFSELYFGJMDKR-UHFFFAOYSA-N 0 0 436.508 4.170 40 0 IIABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1C(C)C ZINC000223390647 557466018 /nfs/dbraw/zinc/46/60/18/557466018.db2.gz DKBQZCADBLTMBO-AWEZNQCLSA-N 0 0 434.583 4.080 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223402145 557467061 /nfs/dbraw/zinc/46/70/61/557467061.db2.gz PXGANERUBFNDFG-OAQYLSRUSA-N 0 0 432.948 4.061 40 0 IIABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 ZINC000016194094 557470555 /nfs/dbraw/zinc/47/05/55/557470555.db2.gz FVHGHDYDYGAFDX-FMIVXFBMSA-N 0 0 432.476 4.222 40 0 IIABRN COCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223424974 557470788 /nfs/dbraw/zinc/47/07/88/557470788.db2.gz XGGNUDCMWIKKAY-UHFFFAOYSA-N 0 0 440.949 4.154 40 0 IIABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)nc1 ZINC000223451591 557473322 /nfs/dbraw/zinc/47/33/22/557473322.db2.gz DUNJWAPJDWALAF-GOTSBHOMSA-N 0 0 426.549 4.143 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1C ZINC000223453408 557473465 /nfs/dbraw/zinc/47/34/65/557473465.db2.gz NKTWZBGRQOLWBQ-VWLOTQADSA-N 0 0 432.539 4.453 40 0 IIABRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 ZINC000016637219 557474895 /nfs/dbraw/zinc/47/48/95/557474895.db2.gz TYDJNEZODDEHAM-UHFFFAOYSA-N 0 0 443.422 4.117 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000223466504 557475152 /nfs/dbraw/zinc/47/51/52/557475152.db2.gz IZSVWMLXWSQQEB-UHFFFAOYSA-N 0 0 438.549 4.284 40 0 IIABRN Oc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223471741 557475887 /nfs/dbraw/zinc/47/58/87/557475887.db2.gz XSQUVZGFYYONDH-XZOQPEGZSA-N 0 0 427.533 4.146 40 0 IIABRN COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000223472829 557476051 /nfs/dbraw/zinc/47/60/51/557476051.db2.gz STJKVASIGZPSJS-RUZDIDTESA-N 0 0 434.511 4.283 40 0 IIABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cccc(C)n1 ZINC000017096772 557477706 /nfs/dbraw/zinc/47/77/06/557477706.db2.gz OCZDTFSTBFLVGY-UHFFFAOYSA-N 0 0 430.327 4.441 40 0 IIABRN COc1cccc(N(CCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 ZINC000223484030 557477783 /nfs/dbraw/zinc/47/77/83/557477783.db2.gz GEKPDTNOVIXCLT-IBGZPJMESA-N 0 0 432.586 4.044 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccncc1 ZINC000223484092 557477834 /nfs/dbraw/zinc/47/78/34/557477834.db2.gz RQTYXFPVKMOJPJ-SJORKVTESA-N 0 0 431.384 4.473 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccncc1 ZINC000223484234 557477839 /nfs/dbraw/zinc/47/78/39/557477839.db2.gz DOKSJYPWBQSFFM-IRXDYDNUSA-N 0 0 431.384 4.473 40 0 IIABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)nc1 ZINC000223487272 557478080 /nfs/dbraw/zinc/47/80/80/557478080.db2.gz CHGXZGZCQKDYHL-GOTSBHOMSA-N 0 0 426.549 4.143 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000223489690 557478542 /nfs/dbraw/zinc/47/85/42/557478542.db2.gz KLZJZQMJUIUVAL-VWLOTQADSA-N 0 0 448.538 4.153 40 0 IIABRN COc1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000017097370 557478748 /nfs/dbraw/zinc/47/87/48/557478748.db2.gz OHGPLIPZBBURQM-UHFFFAOYSA-N 0 0 431.311 4.443 40 0 IIABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1Cl ZINC000017097362 557478757 /nfs/dbraw/zinc/47/87/57/557478757.db2.gz AJOHJBUDILITGR-OAHLLOKOSA-N 0 0 431.275 4.093 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000223498705 557479464 /nfs/dbraw/zinc/47/94/64/557479464.db2.gz WUELKEZGLQBTOB-VWLOTQADSA-N 0 0 432.539 4.453 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1 ZINC000223496228 557479471 /nfs/dbraw/zinc/47/94/71/557479471.db2.gz XQSVCDUKHVJOKY-RUZDIDTESA-N 0 0 448.538 4.289 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C ZINC000223498632 557479616 /nfs/dbraw/zinc/47/96/16/557479616.db2.gz WUELKEZGLQBTOB-RUZDIDTESA-N 0 0 432.539 4.453 40 0 IIABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccco4)cc3n2)cc1 ZINC000017097585 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568679053 /nfs/dbraw/zinc/67/90/53/568679053.db2.gz GDINNBRKSLSSRQ-RUZDIDTESA-N 0 0 437.588 4.253 40 0 IIABRN CC(C)Oc1ccc(C(=O)N2CCC3(CO[C@@H]([C@@]4(C)CC[C@@H](C(C)(C)O)O4)C3)CC2)cc1 ZINC000257230400 568679092 /nfs/dbraw/zinc/67/90/92/568679092.db2.gz GCEAHGIDEMXZKZ-SGIRGMQISA-N 0 0 445.600 4.194 40 0 IIABRN O=C(CN1CCCCCC1=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257231678 568679586 /nfs/dbraw/zinc/67/95/86/568679586.db2.gz GHVBJTDUAUJOJY-FQEVSTJZSA-N 0 0 429.948 4.375 40 0 IIABRN COc1ccccc1[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1C(C)=O ZINC000257233143 568680717 /nfs/dbraw/zinc/68/07/17/568680717.db2.gz GNZFNPIBISPKQP-DEOSSOPVSA-N 0 0 428.532 4.259 40 0 IIABRN Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)c4cccc(F)c4Cl)C3)nc(C)n2)n[nH]1 ZINC000257245193 568686147 /nfs/dbraw/zinc/68/61/47/568686147.db2.gz IOMASLKHFKRPCV-OAHLLOKOSA-N 0 0 442.926 4.448 40 0 IIABRN Cc1cc(C)n2ncc(CN3CCO[C@H](c4cc(Cc5ccc(F)cc5)cc(C)n4)C3)c2n1 ZINC000257246218 568686627 /nfs/dbraw/zinc/68/66/27/568686627.db2.gz ITCZGDWTRGAULR-VWLOTQADSA-N 0 0 445.542 4.353 40 0 IIABRN O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257247687 568687165 /nfs/dbraw/zinc/68/71/65/568687165.db2.gz JABCSNPXAUGIPJ-NRFANRHFSA-N 0 0 425.532 4.184 40 0 IIABRN CN(CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1ccc(F)cc1 ZINC000257251737 568689433 /nfs/dbraw/zinc/68/94/33/568689433.db2.gz JRYPLQBRMMXIRZ-FQEVSTJZSA-N 0 0 439.506 4.382 40 0 IIABRN Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)CC2)cn1 ZINC000257254491 568690626 /nfs/dbraw/zinc/69/06/26/568690626.db2.gz KDHCIJOTPKCKAX-WGSAOQKQSA-N 0 0 445.567 4.175 40 0 IIABRN CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2scnc2C)CC1 ZINC000257257806 568692238 /nfs/dbraw/zinc/69/22/38/568692238.db2.gz KREBAGSJTXBJGK-UHFFFAOYSA-N 0 0 448.592 4.115 40 0 IIABRN CCc1nnsc1C(=O)N1CCO[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000257261213 568693989 /nfs/dbraw/zinc/69/39/89/568693989.db2.gz LGERFOOAAKREFH-HXUWFJFHSA-N 0 0 442.972 4.262 40 0 IIABRN O=C(c1ccccn1)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000257271832 568698465 /nfs/dbraw/zinc/69/84/65/568698465.db2.gz MZYVCYVGZYFOMT-NRFANRHFSA-N 0 0 427.426 4.300 40 0 IIABRN COc1ccc(CC(=O)N2CCC3(CC2)Oc2c(OC)cccc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257272339 568698943 /nfs/dbraw/zinc/69/89/43/568698943.db2.gz NCAWKZHUZJUSLK-XUZZJYLKSA-N 0 0 437.536 4.168 40 0 IIABRN CC1(C(=O)N2CCC[C@H]2CCc2ccncc2)CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000257276586 568700652 /nfs/dbraw/zinc/70/06/52/568700652.db2.gz NUJQTERLKQYPKI-QHCPKHFHSA-N 0 0 437.559 4.016 40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)CCc3cccc(Cl)c3)CCO2)n1 ZINC000257276922 568700741 /nfs/dbraw/zinc/70/07/41/568700741.db2.gz NVRSWRAZTJLXTF-JOCHJYFZSA-N 0 0 436.943 4.220 40 0 IIABRN CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CO2)CCN(C(=O)c2ccc4c(c2)CCCC4)CC3)O1 ZINC000257277201 568700771 /nfs/dbraw/zinc/70/07/71/568700771.db2.gz NWWCEWMKZZMULE-JCYRPKCISA-N 0 0 441.612 4.285 40 0 IIABRN C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3Cc1ccc(OCC(=O)[O-])cc1 ZINC000257276953 568700851 /nfs/dbraw/zinc/70/08/51/568700851.db2.gz NVWJATURCVAWOQ-GAYSTUHSSA-N 0 0 434.580 4.256 40 0 IIABRN Cc1nc(Nc2cccc(C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)n2)sc1C ZINC000257286068 568704665 /nfs/dbraw/zinc/70/46/65/568704665.db2.gz PKAXIZZLRZDWIG-UHFFFAOYSA-N 0 0 447.586 4.072 40 0 IIABRN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc(CC(C)C)nn4C)C3)o2)c1 ZINC000257286410 568705119 /nfs/dbraw/zinc/70/51/19/568705119.db2.gz PLNDVNZJPAPGNE-LJQANCHMSA-N 0 0 436.556 4.226 40 0 IIABRN COc1ccc(C2(C(=O)N3CCOC[C@@H](Cc4nccn5cccc45)C3)CCCCC2)cc1 ZINC000257287070 568705252 /nfs/dbraw/zinc/70/52/52/568705252.db2.gz POJIKUDKYRDIOL-NRFANRHFSA-N 0 0 447.579 4.263 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCOC[C@H](Cc4ccc5ncccc5c4)C3)CCOCC2)cc1 ZINC000257294160 568708668 /nfs/dbraw/zinc/70/86/68/568708668.db2.gz QSUYOFAYWITHPD-HSZRJFAPSA-N 0 0 444.575 4.309 40 0 IIABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)cc1 ZINC000257296768 568709809 /nfs/dbraw/zinc/70/98/09/568709809.db2.gz REHYBWZBAQATMD-URXFXBBRSA-N 0 0 436.552 4.008 40 0 IIABRN Cc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3cc(Nc4nncs4)cc(C)n3)C2)cc1 ZINC000257303457 568712606 /nfs/dbraw/zinc/71/26/06/568712606.db2.gz SHIFUMRNFMYGGT-HXUWFJFHSA-N 0 0 437.569 4.171 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@H]32)cc1 ZINC000257307735 568714641 /nfs/dbraw/zinc/71/46/41/568714641.db2.gz TTWGBVARWMDULK-RKONGDRVSA-N 0 0 437.536 4.252 40 0 IIABRN Cc1c[nH]c(-c2cncc([C@H]3CCCN3C(=O)c3ccnc(Cc4ccccc4F)c3)n2)n1 ZINC000257312015 568716244 /nfs/dbraw/zinc/71/62/44/568716244.db2.gz UMBGDPKUJJQDJC-HSZRJFAPSA-N 0 0 442.498 4.277 40 0 IIABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)Cn3nc(C)cc3C(F)F)C2)o1 ZINC000257313238 568716818 /nfs/dbraw/zinc/71/68/18/568716818.db2.gz URNCOVAGUJPISW-QGZVFWFLSA-N 0 0 444.482 4.123 40 0 IIABRN O=C(N1CCC2(CO[C@H](Cc3ccccn3)C2)CC1)C1(Cc2ccccc2)CCOCC1 ZINC000257316385 568718272 /nfs/dbraw/zinc/71/82/72/568718272.db2.gz VFJPQQMAHJKJJM-XMMPIXPASA-N 0 0 434.580 4.061 40 0 IIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cc(OC)c3c(c2)OCCCO3)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257319536 568719610 /nfs/dbraw/zinc/71/96/10/568719610.db2.gz VSYGNXKUVZDOFE-KGMMTFAOSA-N 0 0 447.572 4.034 40 0 IIABRN Cc1ccc(NC(=O)CN2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)cc1F ZINC000257323860 568721617 /nfs/dbraw/zinc/72/16/17/568721617.db2.gz WMDMJOLUCOSABP-LADGPHEKSA-N 0 0 432.511 4.142 40 0 IIABRN Cc1cc(C(F)F)n(CC(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 ZINC000257336288 568727109 /nfs/dbraw/zinc/72/71/09/568727109.db2.gz YNTXSMUWGQDGFF-INIZCTEOSA-N 0 0 432.446 4.253 40 0 IIABRN CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@H]3Cc2ccccc2)[nH]n1 ZINC000257336826 568727357 /nfs/dbraw/zinc/72/73/57/568727357.db2.gz YQEXEVSLFBCHPN-GAYSTUHSSA-N 0 0 448.611 4.368 40 0 IIABRN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cn5c(cccc5C)n4)C3)o2)cc1 ZINC000257341679 568729212 /nfs/dbraw/zinc/72/92/12/568729212.db2.gz ZLKKQXOUUBFMSD-LJQANCHMSA-N 0 0 430.508 4.250 40 0 IIABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)Cn3nc(C)cc3C(F)F)o2)c1 ZINC000257343223 568729979 /nfs/dbraw/zinc/72/99/79/568729979.db2.gz ZRZHCQLHBHKBOP-LJQANCHMSA-N 0 0 444.482 4.470 40 0 IIABRN CCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)Cn4ccc5ccccc54)C3)ccc21 ZINC000257343762 568730220 /nfs/dbraw/zinc/73/02/20/568730220.db2.gz ZUHTVCABMSXVBU-IBGZPJMESA-N 0 0 443.551 4.278 40 0 IIABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC2(CO[C@H](Cc3ccc(Cl)cc3)C2)CC1 ZINC000257344953 568730678 /nfs/dbraw/zinc/73/06/78/568730678.db2.gz ZZIPQIWUYWWJSG-OAQYLSRUSA-N 0 0 448.954 4.446 40 0 IIABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc(O)c(OCC)c1 ZINC000261366395 568733859 /nfs/dbraw/zinc/73/38/59/568733859.db2.gz ZKJFULQGNDLMLC-HXUWFJFHSA-O 0 0 425.534 4.106 40 0 IIABRN COc1ccc(-c2cccc3nc([C@@H]4CN(Cc5cnn(C(C)C)c5)CCN4C)cn32)cc1 ZINC000306126695 568764452 /nfs/dbraw/zinc/76/44/52/568764452.db2.gz FCKMNXJVEZBSOY-VWLOTQADSA-N 0 0 444.583 4.276 40 0 IIABRN O=C(NCCc1ccccc1)c1cc2ccc(OC(=O)c3cccc(F)c3)cc2oc1=O ZINC000000937087 568787672 /nfs/dbraw/zinc/78/76/72/568787672.db2.gz LQFRJUDSDWVKCW-UHFFFAOYSA-N 0 0 431.419 4.124 40 0 IIABRN COc1ccccc1OCc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)o1 ZINC000002796730 568789253 /nfs/dbraw/zinc/78/92/53/568789253.db2.gz JEZGCTIPWZNGLQ-UHFFFAOYSA-N 0 0 438.447 4.311 40 0 IIABRN COc1ccccc1-c1cc(C(F)F)n2ncc(-c3nnc(-c4cn(C)nc4C)o3)c2n1 ZINC000002793080 568789278 /nfs/dbraw/zinc/78/92/78/568789278.db2.gz RWUGAUWVUMDSNM-UHFFFAOYSA-N 0 0 437.410 4.101 40 0 IIABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc2ccccc2c1 ZINC000100390894 568791318 /nfs/dbraw/zinc/79/13/18/568791318.db2.gz IKGBIZOIEGUCFO-ZRZAMGCNSA-N 0 0 439.467 4.335 40 0 IIABRN CC(C)Nc1nc(Nc2ccc(I)cc2F)cc(-c2ccccc2)n1 ZINC000328965700 568807929 /nfs/dbraw/zinc/80/79/29/568807929.db2.gz CFLPVMFOHIRGAF-UHFFFAOYSA-N 0 0 448.283 4.295 40 0 IIABRN Fc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1F ZINC000329020838 568809426 /nfs/dbraw/zinc/80/94/26/568809426.db2.gz ODNPDBCSJSPALW-UHFFFAOYSA-N 0 0 436.384 4.351 40 0 IIABRN CCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2cccnc2)n1 ZINC000329016882 568809528 /nfs/dbraw/zinc/80/95/28/568809528.db2.gz NJSHAAJQINDHCB-UHFFFAOYSA-N 0 0 438.251 4.339 40 0 IIABRN Cc1cc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCCO)n2)c(C)c1 ZINC000329039194 568810052 /nfs/dbraw/zinc/81/00/52/568810052.db2.gz RXEHBMDSAUVVER-UHFFFAOYSA-N 0 0 446.473 4.349 40 0 IIABRN O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000101438516 568836255 /nfs/dbraw/zinc/83/62/55/568836255.db2.gz JGAJFXCWXVFBRT-WOVMCDHWSA-N 0 0 429.517 4.030 40 0 IIABRN Nc1c(Br)cc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1Br ZINC000030714926 568848874 /nfs/dbraw/zinc/84/88/74/568848874.db2.gz VAKHMYRVDPEUOK-UHFFFAOYSA-N 0 0 435.079 4.183 40 0 IIABRN COc1cc(-c2nc3ccccc3c(=O)n2N)ccc1OCc1c(F)cccc1Cl ZINC000575414750 568862464 /nfs/dbraw/zinc/86/24/64/568862464.db2.gz BLNXXDNJKCAFRY-UHFFFAOYSA-N 0 0 425.847 4.157 40 0 IIABRN COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccccc1 ZINC000034694599 568867280 /nfs/dbraw/zinc/86/72/80/568867280.db2.gz ZDULINHCLAPNNO-XUZZJYLKSA-N 0 0 437.565 4.154 40 0 IIABRN CCOC(=O)C(=O)c1c2[nH]cc(-c3ccc(Br)cc3)c2c(OC)cc1OC ZINC000044138238 568904460 /nfs/dbraw/zinc/90/44/60/568904460.db2.gz KESRBOCWHBQICH-UHFFFAOYSA-N 0 0 432.270 4.360 40 0 IIABRN COc1ccc(NC(=O)COc2c(C)cc(Br)cc2Br)cc1N ZINC000057340531 568930268 /nfs/dbraw/zinc/93/02/68/568930268.db2.gz HPFUWJKHIWHLKA-UHFFFAOYSA-N 0 0 444.123 4.128 40 0 IIABRN CCOc1cc(-c2cc(=O)n3c(n2)CCCCC3)ccc1OC(=O)c1ccc(OC)cc1 ZINC000016769375 569161606 /nfs/dbraw/zinc/16/16/06/569161606.db2.gz MHKSPAILSMTMHS-UHFFFAOYSA-N 0 0 434.492 4.263 40 0 IIABRN Cc1cc(NC(=S)NC(=O)COc2ccc(Cl)c(C)c2)cc(Br)c1O ZINC000226244273 569177988 /nfs/dbraw/zinc/17/79/88/569177988.db2.gz OBIZFNBWUIXLLN-UHFFFAOYSA-N 0 0 443.750 4.317 40 0 IIABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500516 569208642 /nfs/dbraw/zinc/20/86/42/569208642.db2.gz SRZFVTQQAKCMTI-TZIWHRDSSA-N 0 0 438.576 4.123 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1Cl ZINC000009055701 569219366 /nfs/dbraw/zinc/21/93/66/569219366.db2.gz JJMXZAGGWMOVMF-UHFFFAOYSA-N 0 0 448.862 4.245 40 0 IIABRN CN(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000009062087 569219441 /nfs/dbraw/zinc/21/94/41/569219441.db2.gz DDHGGKOLCBAZCE-UHFFFAOYSA-N 0 0 427.464 4.307 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1C ZINC000009702702 569220092 /nfs/dbraw/zinc/22/00/92/569220092.db2.gz JYQJPOKAAWOCBW-UHFFFAOYSA-N 0 0 434.492 4.028 40 0 IIABRN CC(=O)Oc1ccccc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000010041828 569220947 /nfs/dbraw/zinc/22/09/47/569220947.db2.gz SXITXFMXFXSHKF-UHFFFAOYSA-N 0 0 432.428 4.179 40 0 IIABRN Cc1cccc(CCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000010110650 569221181 /nfs/dbraw/zinc/22/11/81/569221181.db2.gz WLBRXLVPFIEEMK-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000010128315 569221607 /nfs/dbraw/zinc/22/16/07/569221607.db2.gz JKIIOMYWNGIRFC-JOCHJYFZSA-N 0 0 442.968 4.485 40 0 IIABRN CCc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4Cl)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010298215 569222282 /nfs/dbraw/zinc/22/22/82/569222282.db2.gz WHJLVHKLFYFFMC-GOSISDBHSA-N 0 0 440.294 4.400 40 0 IIABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010326902 569223192 /nfs/dbraw/zinc/22/31/92/569223192.db2.gz WTVFYTWJGVFDIP-QGZVFWFLSA-N 0 0 436.533 4.396 40 0 IIABRN Cc1ccc(Cl)cc1N(CCCC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000010358293 569223764 /nfs/dbraw/zinc/22/37/64/569223764.db2.gz SSYGUDXXZHSRJN-SFHVURJKSA-N 0 0 437.005 4.332 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1Cl ZINC000010363761 569223873 /nfs/dbraw/zinc/22/38/73/569223873.db2.gz JDOZJBNAHIIFNH-UHFFFAOYSA-N 0 0 438.977 4.459 40 0 IIABRN COc1ccc(CN(C)C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010366091 569223996 /nfs/dbraw/zinc/22/39/96/569223996.db2.gz QGGLMMQLBOTXHP-UHFFFAOYSA-N 0 0 438.549 4.385 40 0 IIABRN COc1ccc(NC(=O)[C@@H](CCC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000015219404 569225291 /nfs/dbraw/zinc/22/52/91/569225291.db2.gz RGIJSNGKRZCMAT-HXUWFJFHSA-N 0 0 442.512 4.051 40 0 IIABRN COc1cccc(-c2ccc([C@H]3CN(C(=O)c4cn5cc(Cl)ccc5n4)CCO3)nc2)c1 ZINC000019693591 569228981 /nfs/dbraw/zinc/22/89/81/569228981.db2.gz YCPYZQGKDXZUBR-JOCHJYFZSA-N 0 0 448.910 4.272 40 0 IIABRN Cn1cc(CN2CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c2cc(F)ccc21 ZINC000019693643 569229066 /nfs/dbraw/zinc/22/90/66/569229066.db2.gz NAVATDWFQUVRGM-VWLOTQADSA-N 0 0 444.510 4.052 40 0 IIABRN COc1ccc(CC(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cc1C ZINC000019695078 569229500 /nfs/dbraw/zinc/22/95/00/569229500.db2.gz YJECEBNNNOSVHM-HXUWFJFHSA-N 0 0 448.542 4.224 40 0 IIABRN COc1ccc(CC(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cc1C ZINC000019695079 569229545 /nfs/dbraw/zinc/22/95/45/569229545.db2.gz YJECEBNNNOSVHM-FQEVSTJZSA-N 0 0 448.542 4.224 40 0 IIABRN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cn(C)c3ccccc23)CCO1 ZINC000019703334 569232988 /nfs/dbraw/zinc/23/29/88/569232988.db2.gz PJJZNKFVQZEGAG-HXUWFJFHSA-N 0 0 434.565 4.063 40 0 IIABRN Cc1cc2[nH]c(CC(=O)N3CC[C@@H](c4cc(COc5ccccc5F)n[nH]4)C3)nc2c(C)c1 ZINC000019704623 569233461 /nfs/dbraw/zinc/23/34/61/569233461.db2.gz IHCNPDRVJLCNQK-QGZVFWFLSA-N 0 0 447.514 4.180 40 0 IIABRN Cc1ccn2cc(C(=O)N3CC[C@@H](c4cc(COc5cccc(Cl)c5)n[nH]4)C3)nc2c1 ZINC000019704659 569233569 /nfs/dbraw/zinc/23/35/69/569233569.db2.gz RZXSQBNSQIIEGJ-MRXNPFEDSA-N 0 0 435.915 4.228 40 0 IIABRN CC(=O)N1CCC[C@@H]1c1nc(CN(C)Cc2cn(C(C)C)c3ccccc23)cc(N(C)C)n1 ZINC000019709796 569234729 /nfs/dbraw/zinc/23/47/29/569234729.db2.gz BHDLEGWVDSYBFX-XMMPIXPASA-N 0 0 448.615 4.394 40 0 IIABRN CCN(C(=O)c1cc2ccc(F)cc2[nH]1)[C@@H]1CCO[C@H](c2ccc(C(=O)N(C)C)cc2)C1 ZINC000019712694 569235466 /nfs/dbraw/zinc/23/54/66/569235466.db2.gz MCTIDFQZKNPBMJ-OFNKIYASSA-N 0 0 437.515 4.391 40 0 IIABRN Cc1nc(C)c(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C(F)(F)F)c2)o1 ZINC000019713185 569235468 /nfs/dbraw/zinc/23/54/68/569235468.db2.gz LYCPXTMCGUDWEL-MOPGFXCFSA-N 0 0 449.473 4.496 40 0 IIABRN Cc1nc([C@@]2(O)CCCN(C(=O)C(C)(C)C)CC2)sc1CCOc1ccccc1F ZINC000019738777 569236034 /nfs/dbraw/zinc/23/60/34/569236034.db2.gz WKVPYMHQGUQANE-HSZRJFAPSA-N 0 0 434.577 4.458 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755296 569236882 /nfs/dbraw/zinc/23/68/82/569236882.db2.gz NFDKVMRWYPKZBO-QFIPXVFZSA-N 0 0 447.514 4.220 40 0 IIABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1C ZINC000021966002 569241617 /nfs/dbraw/zinc/24/16/17/569241617.db2.gz WLFPDEFDKOHZFR-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000023937177 569241905 /nfs/dbraw/zinc/24/19/05/569241905.db2.gz CEWWCODNTVEYMT-HZPDHXFCSA-N 0 0 425.533 4.350 40 0 IIABRN CSc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(=O)N1CCCC1 ZINC000026115356 569242315 /nfs/dbraw/zinc/24/23/15/569242315.db2.gz AUDAVPBETOIYHP-UHFFFAOYSA-N 0 0 434.583 4.233 40 0 IIABRN CCN(CC)C(=O)c1cc(I)c(OCc2ccccc2)c(OC)c1 ZINC000033626452 569245029 /nfs/dbraw/zinc/24/50/29/569245029.db2.gz CPVQJSNAHPTEEV-UHFFFAOYSA-N 0 0 439.293 4.361 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(C(C)(C)C)c4ccccc34)C2=O)o1 ZINC000033706081 569245955 /nfs/dbraw/zinc/24/59/55/569245955.db2.gz KWLBIOHNFCCPKV-PDGQHHTCSA-N 0 0 435.480 4.177 40 0 IIABRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000034695443 569247260 /nfs/dbraw/zinc/24/72/60/569247260.db2.gz WKIKUQWBNBXCPZ-KGENOOAVSA-N 0 0 437.565 4.451 40 0 IIABRN COc1ccc(CCNC(=O)c2ccccc2NC(=S)Nc2ccccc2)cc1OC ZINC000034854416 569247819 /nfs/dbraw/zinc/24/78/19/569247819.db2.gz YTKKXZGDCUGQSA-UHFFFAOYSA-N 0 0 435.549 4.485 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 ZINC000040407081 569249252 /nfs/dbraw/zinc/24/92/52/569249252.db2.gz INIQYIKVUMQBLO-UHFFFAOYSA-N 0 0 427.522 4.416 40 0 IIABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000107924105 569251622 /nfs/dbraw/zinc/25/16/22/569251622.db2.gz SYQXATMYOJISGD-UHFFFAOYSA-N 0 0 445.368 4.254 40 0 IIABRN CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000107910525 569251652 /nfs/dbraw/zinc/25/16/52/569251652.db2.gz ONEVJWPARBKNES-CVEARBPZSA-N 0 0 438.977 4.063 40 0 IIABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cc(Cl)ccc1O ZINC000107909274 569251654 /nfs/dbraw/zinc/25/16/54/569251654.db2.gz GLNXTEISSGRUMQ-UHFFFAOYSA-N 0 0 437.908 4.476 40 0 IIABRN O=c1/c(=C/c2cccs2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000197908259 569255419 /nfs/dbraw/zinc/25/54/19/569255419.db2.gz MMJUMYXAZWEDMQ-RNHBDSLOSA-N 0 0 426.566 4.380 40 0 IIABRN COC(=O)CN1C(=O)S/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)C1=O ZINC000205770768 569255632 /nfs/dbraw/zinc/25/56/32/569255632.db2.gz RMKVCRDFRJDCBR-RQZCQDPDSA-N 0 0 435.860 4.267 40 0 IIABRN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc2c(c1)OCCO2 ZINC000008758744 569290299 /nfs/dbraw/zinc/29/02/99/569290299.db2.gz HKENYPSOONXWPN-UHFFFAOYSA-N 0 0 433.283 4.245 40 0 IIABRN O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1 ZINC000009252401 569294793 /nfs/dbraw/zinc/29/47/93/569294793.db2.gz CHLMOMWZBYUKOB-AQNXPRMDSA-N 0 0 440.931 4.012 40 0 IIABRN CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@H]2C1=O ZINC000009422701 569296121 /nfs/dbraw/zinc/29/61/21/569296121.db2.gz VTIPBHAMWXBXQO-LOKHBOFASA-N 0 0 434.923 4.207 40 0 IIABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 ZINC000009535962 569297213 /nfs/dbraw/zinc/29/72/13/569297213.db2.gz MFSNFMDOZHNIJM-LJQANCHMSA-N 0 0 426.517 4.302 40 0 IIABRN CCOC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 ZINC000009752652 569298002 /nfs/dbraw/zinc/29/80/02/569298002.db2.gz GPOCSKATMHQGNP-OXQOHEQNSA-N 0 0 431.286 4.395 40 0 IIABRN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 ZINC000019694041 569326575 /nfs/dbraw/zinc/32/65/75/569326575.db2.gz LFXTUAOAVHOXGS-HXUWFJFHSA-N 0 0 448.542 4.306 40 0 IIABRN COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)cc1 ZINC000019693448 569326631 /nfs/dbraw/zinc/32/66/31/569326631.db2.gz SDDFJOTYSHXIJF-QHCPKHFHSA-N 0 0 442.519 4.166 40 0 IIABRN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)cc1 ZINC000019694934 569326755 /nfs/dbraw/zinc/32/67/55/569326755.db2.gz OJDYMJWHLLRRDY-HXUWFJFHSA-N 0 0 448.542 4.306 40 0 IIABRN CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)c1ccccc1 ZINC000019696486 569326796 /nfs/dbraw/zinc/32/67/96/569326796.db2.gz IOGVGLSDZYKREX-AREMUKBSSA-N 0 0 431.536 4.428 40 0 IIABRN O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@H]1CC12CCC2 ZINC000019697244 569326950 /nfs/dbraw/zinc/32/69/50/569326950.db2.gz GUDCBCFEPKKXAP-LJQANCHMSA-N 0 0 444.510 4.384 40 0 IIABRN CCOc1ccccc1C(=O)N1CC[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761641 569328740 /nfs/dbraw/zinc/32/87/40/569328740.db2.gz VFJKCBRHLDTVON-GOSISDBHSA-N 0 0 431.536 4.401 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019764447 569328905 /nfs/dbraw/zinc/32/89/05/569328905.db2.gz FPGOIDUSZCCKGK-HSZRJFAPSA-N 0 0 428.536 4.011 40 0 IIABRN CCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1O ZINC000095644660 569375020 /nfs/dbraw/zinc/37/50/20/569375020.db2.gz SPWJIEVPQKMQPO-MSHHKXPZSA-N 0 0 438.511 4.295 40 0 in-vitro IIABRN CCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000028048239 569406568 /nfs/dbraw/zinc/40/65/68/569406568.db2.gz YRCGSRYQMOQRAJ-JOCHJYFZSA-N 0 0 433.512 4.193 40 0 IIABRN CCOP(=O)(OCC)[C@H](O)/C=C(\Cl)c1ccc(I)cc1 ZINC000002557682 569409425 /nfs/dbraw/zinc/40/94/25/569409425.db2.gz LTFQFUGZYGHVLV-SUIFULHWSA-N 0 0 430.606 4.455 40 0 IIABRN Cc1cccc(C(=O)Cn2nc(N)n(Nc3cccc(Br)c3)c2=S)c1C ZINC000028527420 569410574 /nfs/dbraw/zinc/41/05/74/569410574.db2.gz KCGPPRRFHIVSFK-UHFFFAOYSA-N 0 0 432.347 4.134 40 0 IIABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1noc(-c3ccccc3)n1)CCC2 ZINC000028527214 569410641 /nfs/dbraw/zinc/41/06/41/569410641.db2.gz RDGVZEISXNTBKP-UHFFFAOYSA-N 0 0 429.523 4.194 40 0 IIABRN COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc32)cc1OC ZINC000028535410 569410972 /nfs/dbraw/zinc/41/09/72/569410972.db2.gz FTZPQNOVIKNDSU-UHFFFAOYSA-N 0 0 433.439 4.321 40 0 IIABRN CCOC(=O)[C@@](O)(c1ccc(N(CC)C(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003114678 569440431 /nfs/dbraw/zinc/44/04/31/569440431.db2.gz ZGSJFUBHTRWYRK-IBGZPJMESA-N 0 0 429.822 4.320 40 0 IIABRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1cccc(C)c1 ZINC000009113536 569502469 /nfs/dbraw/zinc/50/24/69/569502469.db2.gz LIZOCNBKWSDWGC-UCQKPKSFSA-N 0 0 428.513 4.353 40 0 IIABRN CS(=O)(=O)N1CCC(Cc2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)CC1 ZINC000143348932 569549161 /nfs/dbraw/zinc/54/91/61/569549161.db2.gz DXYUVDJKABHZLL-UHFFFAOYSA-N 0 0 446.573 4.302 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329049584 569583271 /nfs/dbraw/zinc/58/32/71/569583271.db2.gz UQSQYWGTHFTCOA-GOSISDBHSA-N 0 0 433.434 4.610 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccn2)n1 ZINC000328979572 569583359 /nfs/dbraw/zinc/58/33/59/569583359.db2.gz GGHHSBSFIUQFCH-KRWDZBQOSA-N 0 0 433.434 4.610 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060751 569583405 /nfs/dbraw/zinc/58/34/05/569583405.db2.gz WNNPTGIPTWBFEK-SFHVURJKSA-N 0 0 436.434 4.676 40 0 IIABRN O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc2ccccc2c1 ZINC000032127747 569583508 /nfs/dbraw/zinc/58/35/08/569583508.db2.gz DXJWLPIGHWTNBX-UHFFFAOYSA-N 0 0 448.573 4.413 40 0 IIABRN c1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)n2)nc1 ZINC000329029697 569584277 /nfs/dbraw/zinc/58/42/77/569584277.db2.gz QAGLBPOFFHMNRM-UHFFFAOYSA-N 0 0 430.556 4.863 40 0 IIABRN C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(=O)CC(C)C ZINC000067913738 291377342 /nfs/dbraw/zinc/37/73/42/291377342.db2.gz HQKAYCHMYMSSEQ-IULGZIFLSA-N 0 0 428.481 4.472 40 0 endogenous,in-man IIABRN CCCS(=O)(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccc(F)cc2)C[C@H]1C(C)C ZINC000030880400 291381228 /nfs/dbraw/zinc/38/12/28/291381228.db2.gz CCGRHDMZTDEWIY-ONTIZHBOSA-N 0 0 438.609 4.016 40 0 biogenic,in-vitro IIABRN COc1cc2c(cc1OC)CN(C(=O)c1c(-c3ccc(Cl)cc3)noc1[C@H](C)O)CC2 ZINC000225437870 291382595 /nfs/dbraw/zinc/38/25/95/291382595.db2.gz ZPUHETKWDPFFNG-ZDUSSCGKSA-N 0 0 442.899 4.264 40 0 biogenic,in-vitro IIABRN COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4ccncc4)C=C3C)[nH]c2n1 ZINC000072320894 291383627 /nfs/dbraw/zinc/38/36/27/291383627.db2.gz KOFAJNCEGANBRE-UFYCRDLUSA-N 0 0 433.556 4.189 40 0 biogenic,in-vitro IIABRN O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 ZINC000004237398 291386228 /nfs/dbraw/zinc/38/62/28/291386228.db2.gz ILWDCMIBGFOUNA-GOEBONIOSA-N 0 0 446.981 4.038 40 0 biogenic,in-vitro IIABRN CCCCNC(=S)N(Cc1ccccc1OC)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000006149814 193885448 /nfs/dbraw/zinc/88/54/48/193885448.db2.gz MESIIFIVRAOQFE-UHFFFAOYSA-N 0 0 439.581 4.222 40 0 IIABRN CC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)CCOc3ccccc3F)C2)nc2ccccc21 ZINC000019761815 193914227 /nfs/dbraw/zinc/91/42/27/193914227.db2.gz BDTMETZVRKWMHJ-GOSISDBHSA-N 0 0 449.526 4.297 40 0 IIABRN CCc1ccccc1NC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC000096241104 193940925 /nfs/dbraw/zinc/94/09/25/193940925.db2.gz UMIVKMXLXZABRO-FQEVSTJZSA-N 0 0 425.504 4.287 40 0 IIABRN COc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)c1 ZINC000096243082 193942169 /nfs/dbraw/zinc/94/21/69/193942169.db2.gz CSCBOFJKBBMJSP-FQEVSTJZSA-N 0 0 436.552 4.151 40 0 IIABRN O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408617030 193982776 /nfs/dbraw/zinc/98/27/76/193982776.db2.gz DVSXSENDILZKMS-UHFFFAOYSA-N 0 0 439.437 4.168 40 0 IIABRN Cc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c(C)c1 ZINC000010009290 132333868 /nfs/dbraw/zinc/33/38/68/132333868.db2.gz JSYYKMZZVBGFQK-QHCPKHFHSA-N 0 0 436.533 4.040 40 0 IIABRN Cc1cccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccc(F)cc3)CC2)c1C ZINC000013503852 132347440 /nfs/dbraw/zinc/34/74/40/132347440.db2.gz CUGDHPYZHJBZOI-DEOSSOPVSA-N 0 0 434.563 4.456 40 0 IIABRN CC(C)(C)n1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000013504068 132347626 /nfs/dbraw/zinc/34/76/26/132347626.db2.gz ZGQWWYBQSVRJFF-HXUWFJFHSA-N 0 0 428.943 4.132 40 0 IIABRN Cc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013673989 132352977 /nfs/dbraw/zinc/35/29/77/132352977.db2.gz YSUFVJMTGOWYIH-UHFFFAOYSA-N 0 0 438.524 4.309 40 0 IIABRN O=C(Nc1ccccc1F)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013679080 132353202 /nfs/dbraw/zinc/35/32/02/132353202.db2.gz UQSHCSFDXNXRFP-FQEVSTJZSA-N 0 0 446.887 4.074 40 0 IIABRN CC(=O)c1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000035292265 518342138 /nfs/dbraw/zinc/34/21/38/518342138.db2.gz UREFJQICQGQFJC-HXUWFJFHSA-N 0 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CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000039986196 556632688 /nfs/dbraw/zinc/63/26/88/556632688.db2.gz SKRVNDFJQUKFSP-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN COc1ccc(Cn2ccc3c(nnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)cc1 ZINC000040395973 556638455 /nfs/dbraw/zinc/63/84/55/556638455.db2.gz JVXWQHFVZIAAEH-UHFFFAOYSA-N 0 0 431.883 4.125 40 0 IIABRN COc1cc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)ccc1F ZINC000016780504 556641585 /nfs/dbraw/zinc/64/15/85/556641585.db2.gz FRHLQJBLJPUHET-UHFFFAOYSA-N 0 0 446.422 4.044 40 0 IIABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000016789075 556642221 /nfs/dbraw/zinc/64/22/21/556642221.db2.gz JKYQWCFMQLMPPL-UHFFFAOYSA-N 0 0 437.569 4.469 40 0 IIABRN COc1ccccc1Cn1c(C)cc(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1=O ZINC000016790303 556642797 /nfs/dbraw/zinc/64/27/97/556642797.db2.gz IWNSWPONMUGSAG-UHFFFAOYSA-N 0 0 433.291 4.478 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1Cl ZINC000016959463 556650852 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Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@@]2(CN(c3ccccc3)C(=O)O2)CC1 ZINC000257341728 556707131 /nfs/dbraw/zinc/70/71/31/556707131.db2.gz ZLSNGIIBSCRHQI-SANMLTNESA-N 0 0 444.535 4.262 40 0 IIABRN COc1cccc([C@H]2c3c(O)n(-c4ccc(C)c(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000013648619 556707469 /nfs/dbraw/zinc/70/74/69/556707469.db2.gz RHSRUBXZYIKUKT-HJOGWXRNSA-N 0 0 428.488 4.363 40 0 IIABRN COc1ccc(C(=O)c2noc(-c3ccc(OC)cc3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000019202788 556707861 /nfs/dbraw/zinc/70/78/61/556707861.db2.gz MVRHOVYSOZXWFW-UHFFFAOYSA-N 0 0 449.484 4.423 40 0 IIABRN C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1-c1ccncc1 ZINC000257225161 556708083 /nfs/dbraw/zinc/70/80/83/556708083.db2.gz FFCSNDYOFRIUCW-HOYKHHGWSA-N 0 0 447.966 4.150 40 0 IIABRN Cc1ccc(CC(=O)N2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)cc1 ZINC000019209219 556708231 /nfs/dbraw/zinc/70/82/31/556708231.db2.gz IPTVEPNUECGLID-MUUNZHRXSA-N 0 0 441.575 4.149 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4nccc5ccccc54)o3)C2)cc1 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449.530 4.020 40 0 IIABRN COC(=O)COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408817959 556864539 /nfs/dbraw/zinc/86/45/39/556864539.db2.gz XDLRNFQDTLLRHD-YBEGLDIGSA-N 0 0 448.294 4.242 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019706731 556865219 /nfs/dbraw/zinc/86/52/19/556865219.db2.gz JTBLMZDHLUMASC-JOCHJYFZSA-N 0 0 441.579 4.195 40 0 IIABRN O=C(CCOc1ccccc1F)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1 ZINC000019708294 556868608 /nfs/dbraw/zinc/86/86/08/556868608.db2.gz IXPGZHRPHRJMSU-UHFFFAOYSA-N 0 0 439.531 4.068 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)C(C)(C)C)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019740466 556880515 /nfs/dbraw/zinc/88/05/15/556880515.db2.gz NWVMRZOKOVXLON-OAQYLSRUSA-N 0 0 434.584 4.407 40 0 IIABRN Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 ZINC000019740662 556881096 /nfs/dbraw/zinc/88/10/96/556881096.db2.gz OTFBZCMSVDZQRL-JOCHJYFZSA-N 0 0 436.604 4.024 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019740721 556881377 /nfs/dbraw/zinc/88/13/77/556881377.db2.gz PBKGEZYYZCOMEY-NRFANRHFSA-N 0 0 436.531 4.257 40 0 IIABRN CCn1cc(CN2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)cn1 ZINC000019741753 556884734 /nfs/dbraw/zinc/88/47/34/556884734.db2.gz NXGFBLTYMJGAPW-HSZRJFAPSA-N 0 0 444.583 4.126 40 0 IIABRN Cc1oc2c(c1C(=O)N1CCC[C@@H](c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)C1)CCCC2 ZINC000019742156 556885971 /nfs/dbraw/zinc/88/59/71/556885971.db2.gz PYDLNZURLGUFLE-GFCCVEGCSA-N 0 0 447.461 4.359 40 0 IIABRN CCCn1ncc2ccc([C@@H]3CCCN(C(=O)CCN(C)c4cccc(OC)c4)C3)nc21 ZINC000019742569 556886868 /nfs/dbraw/zinc/88/68/68/556886868.db2.gz VPLOEIZGVXKLLZ-HXUWFJFHSA-N 0 0 435.572 4.082 40 0 IIABRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1cccc(Br)c1 ZINC000408917796 556888839 /nfs/dbraw/zinc/88/88/39/556888839.db2.gz BEKPHESWNREBMU-CXUHLZMHSA-N 0 0 448.294 4.391 40 0 IIABRN O=C(Cn1cnc2ccccc21)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019744022 556889331 /nfs/dbraw/zinc/88/93/31/556889331.db2.gz OFSBVSPXUAPHOE-QHCPKHFHSA-N 0 0 444.579 4.104 40 0 IIABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C1=O ZINC000408916297 556890530 /nfs/dbraw/zinc/89/05/30/556890530.db2.gz BHVSHQZXZYXRPV-OQLLNIDSSA-N 0 0 427.906 4.125 40 0 IIABRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1OC(C)C ZINC000408932657 556896080 /nfs/dbraw/zinc/89/60/80/556896080.db2.gz DGUKZKBEZZPYSQ-WQRHYEAKSA-N 0 0 444.484 4.297 40 0 IIABRN Cc1cc(C)cc(OCC(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)C(F)(F)F)c1 ZINC000408958195 556900535 /nfs/dbraw/zinc/90/05/35/556900535.db2.gz XRBWMPXCLSSXLO-LJQANCHMSA-N 0 0 442.384 4.205 40 0 IIABRN Cc1cccc(CN(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408968707 556903891 /nfs/dbraw/zinc/90/38/91/556903891.db2.gz BMZHFMBHJLBNGV-UHFFFAOYSA-N 0 0 442.968 4.156 40 0 IIABRN COc1ccc(NC(=O)c2ccc3nc(N4C(=O)c5ccccc5C4=O)sc3c2)cc1 ZINC000408973519 556904736 /nfs/dbraw/zinc/90/47/36/556904736.db2.gz BGZMEZCNPPTCCV-UHFFFAOYSA-N 0 0 429.457 4.358 40 0 IIABRN CN(C)c1ccc(NC(=O)c2ccc3nc(N4C(=O)c5ccccc5C4=O)sc3c2)cc1 ZINC000408977242 556906927 /nfs/dbraw/zinc/90/69/27/556906927.db2.gz VADBOZBBBSHGPR-UHFFFAOYSA-N 0 0 442.500 4.415 40 0 IIABRN CC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)nc2ccccc21 ZINC000019762530 556907090 /nfs/dbraw/zinc/90/70/90/556907090.db2.gz PSBTZVKAMGKOJU-XMMPIXPASA-N 0 0 449.526 4.045 40 0 IIABRN Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(CC(=O)NC(C)(C)C)CC3)c12 ZINC000072336006 556909105 /nfs/dbraw/zinc/90/91/05/556909105.db2.gz VXEVCKUFEDITBG-UHFFFAOYSA-N 0 0 441.620 4.311 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765466 556909927 /nfs/dbraw/zinc/90/99/27/556909927.db2.gz FTPHIRJSDJKLAS-HXUWFJFHSA-N 0 0 438.547 4.140 40 0 IIABRN CCSC1=N[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408989473 556910888 /nfs/dbraw/zinc/91/08/88/556910888.db2.gz KUQNYEBTWIXNEA-HXUWFJFHSA-N 0 0 441.553 4.379 40 0 IIABRN Cc1cc2nc([C@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)cc(C(F)(F)F)n2n1 ZINC000072340947 556913096 /nfs/dbraw/zinc/91/30/96/556913096.db2.gz SVJQNVRIJRFZTR-KKSFZXQISA-N 0 0 444.457 4.077 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)CCCc1ccccn1 ZINC000072341490 556914110 /nfs/dbraw/zinc/91/41/10/556914110.db2.gz AYFZGFHIPFNLQV-QHCPKHFHSA-N 0 0 444.583 4.385 40 0 IIABRN COc1ccc(C)cc1NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000409004804 556915301 /nfs/dbraw/zinc/91/53/01/556915301.db2.gz SAEVQQDCJGQEKI-UHFFFAOYSA-N 0 0 438.549 4.142 40 0 IIABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1Cl ZINC000409005221 556915634 /nfs/dbraw/zinc/91/56/34/556915634.db2.gz SJYMXDMUQNINOX-UHFFFAOYSA-N 0 0 432.904 4.309 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)Cc2ccccc2)cc1 ZINC000409003453 556916987 /nfs/dbraw/zinc/91/69/87/556916987.db2.gz GSHXNCQKSJBNCR-UHFFFAOYSA-N 0 0 442.968 4.156 40 0 IIABRN COc1ccc(C(=O)N2CCCC[C@H]2c2nc3cc(C)ccc3[nH]2)cc1Cn1cccn1 ZINC000072346797 556918001 /nfs/dbraw/zinc/91/80/01/556918001.db2.gz OOESSKXVYDQESF-QFIPXVFZSA-N 0 0 429.524 4.492 40 0 IIABRN COc1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(C)ccc3[nH]2)cc1Cn1cccn1 ZINC000072346798 556918014 /nfs/dbraw/zinc/91/80/14/556918014.db2.gz OOESSKXVYDQESF-JOCHJYFZSA-N 0 0 429.524 4.492 40 0 IIABRN CCn1ncc(S(=O)(=O)N2CCC(c3cccc(Cc4ccccc4C)n3)CC2)c1C ZINC000072350181 556920467 /nfs/dbraw/zinc/92/04/67/556920467.db2.gz NUZMNGMQZPRWJZ-UHFFFAOYSA-N 0 0 438.597 4.074 40 0 IIABRN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000019817651 556920511 /nfs/dbraw/zinc/92/05/11/556920511.db2.gz JZMUVYBOKYFREP-JOCHJYFZSA-N 0 0 425.492 4.110 40 0 IIABRN Cc1nc2cc([C@@H]3CCCN3Cc3ccccn3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000072351281 556920972 /nfs/dbraw/zinc/92/09/72/556920972.db2.gz VWKRXPJSVACWNZ-DEOSSOPVSA-N 0 0 446.599 4.070 40 0 IIABRN COC(=O)c1c(C)nc2ccn(-c3ccc(NC(C)=O)cc3)c(=O)c2c1-c1ccc(F)cc1 ZINC000019819234 556922086 /nfs/dbraw/zinc/92/20/86/556922086.db2.gz DOQFMBBSYAOSNI-UHFFFAOYSA-N 0 0 445.450 4.245 40 0 IIABRN Cc1c2cc(C)ccc2oc1C(=O)N1CCNC(=O)[C@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351660 556922067 /nfs/dbraw/zinc/92/20/67/556922067.db2.gz XNDJQEWIAVJZEC-HSZRJFAPSA-N 0 0 439.515 4.295 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000072352195 556923341 /nfs/dbraw/zinc/92/33/41/556923341.db2.gz BSMNALRKTSUVOC-INIZCTEOSA-N 0 0 428.579 4.218 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccs1 ZINC000019820091 556923417 /nfs/dbraw/zinc/92/34/17/556923417.db2.gz MHFFLXSRDKLPCU-SFTDATJTSA-N 0 0 431.517 4.413 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000019820277 556923910 /nfs/dbraw/zinc/92/39/10/556923910.db2.gz FJIPLVBDYOVJOG-GOTSBHOMSA-N 0 0 443.478 4.491 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccc(F)cc2)cc1 ZINC000409028301 556924531 /nfs/dbraw/zinc/92/45/31/556924531.db2.gz LNFPPXRFSJEDSY-UHFFFAOYSA-N 0 0 434.439 4.246 40 0 IIABRN COc1cccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409028672 556924967 /nfs/dbraw/zinc/92/49/67/556924967.db2.gz PXAZPLLZWWPXAG-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN COc1ccccc1OCCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C)CCO1 ZINC000072352672 556925036 /nfs/dbraw/zinc/92/50/36/556925036.db2.gz IFBMLVDXABJVGD-FQEVSTJZSA-N 0 0 440.565 4.112 40 0 IIABRN COc1ccc(NC(=O)CN2CCC[C@H]2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1 ZINC000072353002 556925475 /nfs/dbraw/zinc/92/54/75/556925475.db2.gz IFIMBVKZNTYOQD-QFIPXVFZSA-N 0 0 432.528 4.016 40 0 IIABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409026562 556926251 /nfs/dbraw/zinc/92/62/51/556926251.db2.gz SDXWNJRPEJHURK-VWLOTQADSA-N 0 0 446.528 4.484 40 0 IIABRN COc1ccc(NC(=O)CN2CCC[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1 ZINC000072353271 556926287 /nfs/dbraw/zinc/92/62/87/556926287.db2.gz AYKLCDCYAKCJPW-IBGZPJMESA-N 0 0 446.555 4.059 40 0 IIABRN CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OC ZINC000409032833 556927534 /nfs/dbraw/zinc/92/75/34/556927534.db2.gz JNNOOLHENSNGEE-WJDWOHSUSA-N 0 0 447.354 4.461 40 0 IIABRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OCC)c3)N(C)C2=S)cc1 ZINC000409039705 556928165 /nfs/dbraw/zinc/92/81/65/556928165.db2.gz XGKAYJAZCHKSKN-BOPFTXTBSA-N 0 0 432.929 4.447 40 0 IIABRN CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072353902 556928218 /nfs/dbraw/zinc/92/82/18/556928218.db2.gz CNWNQEYYPRNWMW-FQEVSTJZSA-N 0 0 436.021 4.400 40 0 IIABRN Cc1nonc1NC(=O)CN1CCC[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072353923 556928679 /nfs/dbraw/zinc/92/86/79/556928679.db2.gz CWEZGYOXRUITAX-IBGZPJMESA-N 0 0 439.947 4.144 40 0 IIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072354719 556929836 /nfs/dbraw/zinc/92/98/36/556929836.db2.gz OMQQQKMLFLROPO-GOSISDBHSA-N 0 0 432.908 4.044 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)CC1 ZINC000072356195 556930740 /nfs/dbraw/zinc/93/07/40/556930740.db2.gz GHPZDXXHPFIZSW-HSZRJFAPSA-N 0 0 437.559 4.084 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 ZINC000019866485 556934468 /nfs/dbraw/zinc/93/44/68/556934468.db2.gz RNCXLRDVUJIHTC-AZUAARDMSA-N 0 0 449.016 4.376 40 0 IIABRN O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019867935 556935048 /nfs/dbraw/zinc/93/50/48/556935048.db2.gz LNJVXCSYFQXPAY-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868201 556935066 /nfs/dbraw/zinc/93/50/66/556935066.db2.gz KMSLELLSJDJNTE-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868558 556935191 /nfs/dbraw/zinc/93/51/91/556935191.db2.gz AKXDYRPOKNLEJN-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)Cc1ccc(OC)cc1 ZINC000072370529 556935301 /nfs/dbraw/zinc/93/53/01/556935301.db2.gz VXZKLTKBRBEMJP-SFHVURJKSA-N 0 0 436.577 4.436 40 0 IIABRN Cc1cnc(C(=O)N2CCCCC[C@H]2Cc2c3ccccc3sc2C(=O)N(C)C)cn1 ZINC000072370726 556936358 /nfs/dbraw/zinc/93/63/58/556936358.db2.gz PORVOIMFTCOOII-KRWDZBQOSA-N 0 0 436.581 4.329 40 0 IIABRN CC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409059788 556936849 /nfs/dbraw/zinc/93/68/49/556936849.db2.gz XJRJJQWQEMEOOK-OAHLLOKOSA-N 0 0 443.396 4.407 40 0 IIABRN COc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Br)cc3)C1=O)OCO2 ZINC000409059697 556936884 /nfs/dbraw/zinc/93/68/84/556936884.db2.gz XDNOAPOULRLNCO-IDUWFGFVSA-N 0 0 448.294 4.423 40 0 IIABRN COc1ccc(CC(=O)N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cc1 ZINC000072371364 556938240 /nfs/dbraw/zinc/93/82/40/556938240.db2.gz VBPIUTHEQFBGLY-GOSISDBHSA-N 0 0 439.943 4.252 40 0 IIABRN Cc1cc(N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)nc(C)n1 ZINC000072371424 556938578 /nfs/dbraw/zinc/93/85/78/556938578.db2.gz FHWMTYVRTSPPRF-MRXNPFEDSA-N 0 0 431.462 4.451 40 0 IIABRN CCn1ccnc1CN1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371756 556940747 /nfs/dbraw/zinc/94/07/47/556940747.db2.gz VYHIJSNTVALIBD-MRXNPFEDSA-N 0 0 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COc1cccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223050090 557421142 /nfs/dbraw/zinc/42/11/42/557421142.db2.gz BUEAKQJHTUXFOT-FQEVSTJZSA-N 0 0 440.584 4.331 40 0 IIABRN COc1cccc(CN(C(=O)CSCc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223056230 557422713 /nfs/dbraw/zinc/42/27/13/557422713.db2.gz INHPUYVRSLGPDY-KRWDZBQOSA-N 0 0 446.588 4.400 40 0 IIABRN CC[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(OC)c(C)c1 ZINC000223073172 557426065 /nfs/dbraw/zinc/42/60/65/557426065.db2.gz BQCZTDDFSFUWDU-KRWDZBQOSA-N 0 0 439.293 4.255 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223074634 557426675 /nfs/dbraw/zinc/42/66/75/557426675.db2.gz DIFSNXLBWFJPRB-QGZVFWFLSA-N 0 0 445.401 4.498 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223082688 557428232 /nfs/dbraw/zinc/42/82/32/557428232.db2.gz JZQNCDYRIUPSTP-KRWDZBQOSA-N 0 0 431.374 4.162 40 0 IIABRN CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223089612 557429642 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557447438 /nfs/dbraw/zinc/44/74/38/557447438.db2.gz DVRKMENJKYPKTB-AREMUKBSSA-N 0 0 444.575 4.458 40 0 IIABRN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc2c(c1)OCO2 ZINC000014671807 557449026 /nfs/dbraw/zinc/44/90/26/557449026.db2.gz RNTCATYEHNAUJP-JBEBIEQOSA-N 0 0 436.533 4.289 40 0 IIABRN CSc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026119013 557449906 /nfs/dbraw/zinc/44/99/06/557449906.db2.gz LXDPWXCBJNSRHH-UHFFFAOYSA-N 0 0 446.594 4.284 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223272019 557454223 /nfs/dbraw/zinc/45/42/23/557454223.db2.gz BAFGWCXFOFYTQD-QGZVFWFLSA-N 0 0 434.939 4.500 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223284176 557455588 /nfs/dbraw/zinc/45/55/88/557455588.db2.gz MHXHKDNWDNOUBQ-SFHVURJKSA-N 0 0 432.586 4.079 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1C(C)C ZINC000223288919 557456309 /nfs/dbraw/zinc/45/63/09/557456309.db2.gz XRPLJAUCWGOUKK-LJQANCHMSA-N 0 0 446.613 4.387 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223310403 557457687 /nfs/dbraw/zinc/45/76/87/557457687.db2.gz BGQLLEHTJRKAAF-FQEVSTJZSA-N 0 0 437.005 4.331 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(C)cc2)cc1OC ZINC000223310779 557458048 /nfs/dbraw/zinc/45/80/48/557458048.db2.gz BPPGDKKKXPKXMW-ZHZULCJRSA-N 0 0 436.533 4.161 40 0 IIABRN Cc1ccccc1[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccccc1 ZINC000223328533 557459493 /nfs/dbraw/zinc/45/94/93/557459493.db2.gz KVKYHVMPZHCRTF-RUZDIDTESA-N 0 0 446.572 4.362 40 0 IIABRN Cc1cccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000015398134 557461565 /nfs/dbraw/zinc/46/15/65/557461565.db2.gz VLOJCYWNASBOJO-UHFFFAOYSA-N 0 0 428.941 4.160 40 0 IIABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223353231 557461691 /nfs/dbraw/zinc/46/16/91/557461691.db2.gz SATZELQKKSQBMX-AHKZPQOWSA-N 0 0 442.559 4.294 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223375210 557464250 /nfs/dbraw/zinc/46/42/50/557464250.db2.gz PIBZBWOXHYMKMD-FQEVSTJZSA-N 0 0 434.989 4.384 40 0 IIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 ZINC000223409481 557468344 /nfs/dbraw/zinc/46/83/44/557468344.db2.gz KULULOVUJVUTQK-RPWUZVMVSA-N 0 0 441.560 4.449 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223418770 557469715 /nfs/dbraw/zinc/46/97/15/557469715.db2.gz AWCSQDKZDFITGY-FQEVSTJZSA-N 0 0 434.989 4.135 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1 ZINC000223424543 557470769 /nfs/dbraw/zinc/47/07/69/557470769.db2.gz KUFHFBBLJBCYOH-LJQANCHMSA-N 0 0 428.598 4.262 40 0 IIABRN COc1cc(C=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000016195565 557470902 /nfs/dbraw/zinc/47/09/02/557470902.db2.gz TXQIEDOCQMDAKQ-UHFFFAOYSA-N 0 0 447.066 4.454 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223445296 557472759 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CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000017100003 557483972 /nfs/dbraw/zinc/48/39/72/557483972.db2.gz FGYYXLIHYGEBPQ-UHFFFAOYSA-N 0 0 436.339 4.070 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223551837 557485011 /nfs/dbraw/zinc/48/50/11/557485011.db2.gz QLUHVRRLMZAWHH-VWLOTQADSA-N 0 0 431.536 4.277 40 0 IIABRN Cc1cc(NC(=S)NC(=O)C=Cc2ccco2)c(C)cc1I ZINC000017094719 557485150 /nfs/dbraw/zinc/48/51/50/557485150.db2.gz YRVBMSZHYASAEQ-AATRIKPKSA-N 0 0 426.279 4.027 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCCOC(C)C)c1ccccc1 ZINC000223552380 557485197 /nfs/dbraw/zinc/48/51/97/557485197.db2.gz UQXSWOSGPGGRQJ-VWLOTQADSA-N 0 0 440.584 4.497 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C ZINC000223579151 557488235 /nfs/dbraw/zinc/48/82/35/557488235.db2.gz QPQBBAQRSYECMS-UHFFFAOYSA-N 0 0 429.542 4.172 40 0 IIABRN COc1cc(OC)cc(N2C(=O)CS[C@]23c2cccc4c2N(C3=O)C(C)(C)C=C4C)c1 ZINC000017100434 557489142 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4.413 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223667167 557499422 /nfs/dbraw/zinc/49/94/22/557499422.db2.gz UJHQXJCNSUYMOB-LEWJYISDSA-N 0 0 425.485 4.016 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000223665477 557499435 /nfs/dbraw/zinc/49/94/35/557499435.db2.gz HNNGPNAQNUACIT-DHIUTWEWSA-N 0 0 434.565 4.025 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 ZINC000223671539 557500006 /nfs/dbraw/zinc/50/00/06/557500006.db2.gz VMXGREKLWPHSFX-JOCHJYFZSA-N 0 0 426.557 4.105 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000223673480 557500529 /nfs/dbraw/zinc/50/05/29/557500529.db2.gz NSOIFYBYTOVBFE-DNQXCXABSA-N 0 0 448.592 4.333 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000019528395 557502019 /nfs/dbraw/zinc/50/20/19/557502019.db2.gz QAFYVBQVNDAJLC-SZJUTTIESA-N 0 0 434.580 4.306 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223685654 557502078 /nfs/dbraw/zinc/50/20/78/557502078.db2.gz WCGOCWIGIMDCHM-FCHUYYIVSA-N 0 0 426.586 4.151 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc(Cl)c1C ZINC000223687886 557502595 /nfs/dbraw/zinc/50/25/95/557502595.db2.gz MRTRIRPQOMAKNJ-UHFFFAOYSA-N 0 0 436.961 4.013 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000223693536 557502866 /nfs/dbraw/zinc/50/28/66/557502866.db2.gz WKDQPDXZGXSZFE-UHFFFAOYSA-N 0 0 440.521 4.030 40 0 IIABRN Cc1cccc(N(CCCC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 ZINC000223718946 557505803 /nfs/dbraw/zinc/50/58/03/557505803.db2.gz PFPXNRKQXJCUJT-UHFFFAOYSA-N 0 0 446.613 4.034 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000223756454 557509663 /nfs/dbraw/zinc/50/96/63/557509663.db2.gz BPCCOFMPWSIKBQ-UHFFFAOYSA-N 0 0 430.551 4.213 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000223769068 557510702 /nfs/dbraw/zinc/51/07/02/557510702.db2.gz UPCINHCGIZYCAJ-AREMUKBSSA-N 0 0 444.575 4.322 40 0 IIABRN CCc1ccc(N(CC(=O)Nc2cccc(COC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223769618 557510976 /nfs/dbraw/zinc/51/09/76/557510976.db2.gz BFNCEVRMMQWWPP-UHFFFAOYSA-N 0 0 438.549 4.229 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2cccc(C)c2C)cc1 ZINC000223770123 557511017 /nfs/dbraw/zinc/51/10/17/557511017.db2.gz NNQJSHTYNLGGQX-UHFFFAOYSA-N 0 0 426.582 4.424 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1F ZINC000223778487 557512049 /nfs/dbraw/zinc/51/20/49/557512049.db2.gz BPWPRAKESDRJAN-VWLOTQADSA-N 0 0 448.538 4.153 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223784666 557512930 /nfs/dbraw/zinc/51/29/30/557512930.db2.gz ZAYXLJDMGOWKOO-UHFFFAOYSA-N 0 0 444.940 4.320 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223795350 557514574 /nfs/dbraw/zinc/51/45/74/557514574.db2.gz JRBYTKUKOFNYNN-QFIPXVFZSA-N 0 0 446.975 4.451 40 0 IIABRN Cc1ccc(CN(c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000223826877 557517938 /nfs/dbraw/zinc/51/79/38/557517938.db2.gz QRDBMUUDBKGGAS-HXUWFJFHSA-N 0 0 436.577 4.495 40 0 IIABRN Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1Cl ZINC000020237476 557519041 /nfs/dbraw/zinc/51/90/41/557519041.db2.gz SFVBUSKOFALXBF-UHFFFAOYSA-N 0 0 435.760 4.038 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Cl ZINC000223843233 557519769 /nfs/dbraw/zinc/51/97/69/557519769.db2.gz UYJKNGSDDMRSGF-CQSZACIVSA-N 0 0 441.330 4.455 40 0 IIABRN COCc1cccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 ZINC000223843996 557519839 /nfs/dbraw/zinc/51/98/39/557519839.db2.gz CYEVJNOGDUWBAJ-UHFFFAOYSA-N 0 0 438.549 4.360 40 0 IIABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)nc1 ZINC000223847456 557520311 /nfs/dbraw/zinc/52/03/11/557520311.db2.gz FHRXDHSMNASDIM-PKTZIBPZSA-N 0 0 427.533 4.458 40 0 IIABRN C[C@H](CNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000223870967 557523494 /nfs/dbraw/zinc/52/34/94/557523494.db2.gz DNVNENUVWOJQLA-GFCCVEGCSA-N 0 0 449.787 4.333 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000223871924 557523734 /nfs/dbraw/zinc/52/37/34/557523734.db2.gz KLOUQVPIHQOGOH-UHFFFAOYSA-N 0 0 444.597 4.049 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000223889035 557525505 /nfs/dbraw/zinc/52/55/05/557525505.db2.gz IEBBAZBISNZNNE-MRXNPFEDSA-N 0 0 449.414 4.485 40 0 IIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 ZINC000223888828 557525532 /nfs/dbraw/zinc/52/55/32/557525532.db2.gz MXHODDIYFADYKY-LJQANCHMSA-N 0 0 426.532 4.461 40 0 IIABRN CSc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000223892563 557526166 /nfs/dbraw/zinc/52/61/66/557526166.db2.gz VJGVUOVEVRVIDE-UHFFFAOYSA-N 0 0 446.638 4.410 40 0 IIABRN C[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223898231 557526520 /nfs/dbraw/zinc/52/65/20/557526520.db2.gz HLEUJQQHYZNWIJ-MRXNPFEDSA-N 0 0 443.956 4.119 40 0 IIABRN COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)c1 ZINC000223901001 557526765 /nfs/dbraw/zinc/52/67/65/557526765.db2.gz CPWSJRBWRRIQHG-UHFFFAOYSA-N 0 0 425.506 4.395 40 0 IIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)[nH]1 ZINC000223921802 557529228 /nfs/dbraw/zinc/52/92/28/557529228.db2.gz DNQZVFLGLKHCAV-XZOQPEGZSA-N 0 0 433.581 4.040 40 0 IIABRN Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1C ZINC000223930472 557530275 /nfs/dbraw/zinc/53/02/75/557530275.db2.gz OPOIQEOWFCLOOR-LJQANCHMSA-N 0 0 438.549 4.302 40 0 IIABRN Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000223938106 557531350 /nfs/dbraw/zinc/53/13/50/557531350.db2.gz LNVPWCYUSCIAQL-UHFFFAOYSA-N 0 0 444.940 4.258 40 0 IIABRN CCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000223939173 557531599 /nfs/dbraw/zinc/53/15/99/557531599.db2.gz KQIQUJYXEHKNLU-UHFFFAOYSA-N 0 0 438.549 4.167 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C ZINC000223945273 557532376 /nfs/dbraw/zinc/53/23/76/557532376.db2.gz VCCZKLDWHQMHNL-JOCHJYFZSA-N 0 0 426.557 4.106 40 0 IIABRN O=C(NCCSC1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000223960934 557534789 /nfs/dbraw/zinc/53/47/89/557534789.db2.gz SIGKVFYJPNOKJY-UHFFFAOYSA-N 0 0 436.574 4.422 40 0 IIABRN Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000223963717 557535387 /nfs/dbraw/zinc/53/53/87/557535387.db2.gz YQFXWINLMAHZIK-QGZVFWFLSA-N 0 0 442.512 4.132 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1 ZINC000223974357 557537187 /nfs/dbraw/zinc/53/71/87/557537187.db2.gz DIRRUGOQNUVHJQ-QGZVFWFLSA-N 0 0 447.373 4.080 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223974289 557537271 /nfs/dbraw/zinc/53/72/71/557537271.db2.gz DMERIEDAIQYPOA-XMMPIXPASA-N 0 0 440.584 4.415 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223973367 557537294 /nfs/dbraw/zinc/53/72/94/557537294.db2.gz GNTUWPBMZVKDFF-UHFFFAOYSA-N 0 0 444.896 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434.580 4.304 40 0 IIABRN C[C@@H]1CCCC[C@@H]1N1C(=O)[C@H](CC(=O)NCCc2ccccc2)n2c3ccccc3nc21 ZINC000248085338 569206953 /nfs/dbraw/zinc/20/69/53/569206953.db2.gz FBCJMFPGNQQYHP-JZWVFAODSA-N 0 0 430.552 4.252 40 0 IIABRN C[C@H](Cc1cccs1)C(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 ZINC000248153469 569207332 /nfs/dbraw/zinc/20/73/32/569207332.db2.gz CGAJHNMIMQYDRD-VIPLHTEESA-N 0 0 442.629 4.160 40 0 IIABRN CCC(C)(C)NC(=O)CN1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 ZINC000248194489 569207505 /nfs/dbraw/zinc/20/75/05/569207505.db2.gz OBWPIEQNTSOJDY-USXIJHARSA-N 0 0 443.558 4.311 40 0 IIABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCC[C@H](C)C3)cc2c1 ZINC000253499988 569208653 /nfs/dbraw/zinc/20/86/53/569208653.db2.gz HRASPKUOFAMJDC-KSFYIVLOSA-N 0 0 436.560 4.262 40 0 IIABRN C[C@H]1CCCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)c4ccccn4)C3)n2)C1 ZINC000253604227 569209216 /nfs/dbraw/zinc/20/92/16/569209216.db2.gz WNBBDVRSZJBVQR-FPOVZHCZSA-N 0 0 442.567 4.190 40 0 IIABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCC2)cc1)c1ccccc1 ZINC000008221797 569218917 /nfs/dbraw/zinc/21/89/17/569218917.db2.gz ZVLUPGREQVWNOR-IBGZPJMESA-N 0 0 428.598 4.498 40 0 IIABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)cc1 ZINC000008633455 569218983 /nfs/dbraw/zinc/21/89/83/569218983.db2.gz JTVVUWQWEBWQBM-UHFFFAOYSA-N 0 0 427.482 4.041 40 0 IIABRN CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009055744 569219400 /nfs/dbraw/zinc/21/94/00/569219400.db2.gz XQDJLTOZLSRBBG-UHFFFAOYSA-N 0 0 442.471 4.406 40 0 IIABRN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000009062259 569219529 /nfs/dbraw/zinc/21/95/29/569219529.db2.gz SKXNMHVIQSYVCY-UHFFFAOYSA-N 0 0 444.447 4.258 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 ZINC000009702739 569220123 /nfs/dbraw/zinc/22/01/23/569220123.db2.gz DPPCUINQXZXHBX-UHFFFAOYSA-N 0 0 434.492 4.028 40 0 IIABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(OC)c1OC ZINC000009973440 569220253 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447.514 4.180 40 0 IIABRN COc1ccc(OCc2sc([C@]3(O)CCCN(C(=O)CC(C)C)CC3)nc2C)cc1 ZINC000019705173 569233975 /nfs/dbraw/zinc/23/39/75/569233975.db2.gz IDBJVRXQSYOVJL-QHCPKHFHSA-N 0 0 432.586 4.285 40 0 IIABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2ccccc2NC(=O)Cn2cnc3ccccc32)C1 ZINC000019712179 569235216 /nfs/dbraw/zinc/23/52/16/569235216.db2.gz KVOXOKORNREZAS-QFWMQHCXSA-N 0 0 434.540 4.056 40 0 IIABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3cc(C(C)(C)C)nn3C)c2)C1 ZINC000019712224 569235365 /nfs/dbraw/zinc/23/53/65/569235365.db2.gz DQALVOJZXGSNSU-FCEUIQTBSA-N 0 0 440.588 4.351 40 0 IIABRN Cc1nc([C@]2(O)CCCN(C(=O)C(C)(C)C)CC2)sc1CCOc1ccccc1F ZINC000019738778 569236030 /nfs/dbraw/zinc/23/60/30/569236030.db2.gz WKVPYMHQGUQANE-QHCPKHFHSA-N 0 0 434.577 4.458 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)N1CCC2(CC1)CC=CCN(Cc1ccc(F)cc1)C2=O ZINC000019742689 569236576 /nfs/dbraw/zinc/23/65/76/569236576.db2.gz SPLDSYVAVBUGJX-UHFFFAOYSA-N 0 0 439.531 4.457 40 0 IIABRN CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(I)c1OCC 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PRUMDEPRINOUPG-UHFFFAOYSA-N 0 0 436.961 4.005 40 0 IIABRN O=C(C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1 ZINC000036408812 569248618 /nfs/dbraw/zinc/24/86/18/569248618.db2.gz TWPCEYCMJNERSF-VAMGGRTRSA-N 0 0 440.931 4.012 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)o1 ZINC000035387648 569248638 /nfs/dbraw/zinc/24/86/38/569248638.db2.gz WAJMIXPUNMOLFF-YBEGLDIGSA-N 0 0 426.812 4.073 40 0 IIABRN CC[C@H](C)n1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 ZINC000039556228 569249015 /nfs/dbraw/zinc/24/90/15/569249015.db2.gz LVTOYRFVRFZADZ-RSZPVBOMSA-N 0 0 430.508 4.452 40 0 IIABRN CN1C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)NC1=S ZINC000039556301 569249052 /nfs/dbraw/zinc/24/90/52/569249052.db2.gz KLNAWSCFQBXORB-AQTBWJFISA-N 0 0 425.941 4.451 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1cccc(Cl)c1Cl ZINC000062387411 569249946 /nfs/dbraw/zinc/24/99/46/569249946.db2.gz CVEFPNPQIYDUEY-LLVKDONJSA-N 0 0 441.698 4.182 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl ZINC000107814633 569251376 /nfs/dbraw/zinc/25/13/76/569251376.db2.gz VDUBWPMAPNHPNR-UHFFFAOYSA-N 0 0 443.352 4.104 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)c(C)c2)cc1 ZINC000108088371 569252392 /nfs/dbraw/zinc/25/23/92/569252392.db2.gz XXJGJUWPRPTUGO-UHFFFAOYSA-N 0 0 446.475 4.400 40 0 IIABRN C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000138517522 569253941 /nfs/dbraw/zinc/25/39/41/569253941.db2.gz OBTKBJMGRRBCHD-UWWQBHOKSA-N 0 0 428.891 4.458 40 0 IIABRN COc1ccc(OC)c([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000018032536 569284192 /nfs/dbraw/zinc/28/41/92/569284192.db2.gz QCAPIHXQUSPMAK-SGNDLWITSA-N 0 0 444.487 4.063 40 0 IIABRN CCOC[C@@]1(C(N)=S)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000252516025 569288208 /nfs/dbraw/zinc/28/82/08/569288208.db2.gz PHUMPHYZEALEHQ-LMMKCTJWSA-N 0 0 444.405 4.242 40 0 IIABRN COC(=O)CCNC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000062715908 569288693 /nfs/dbraw/zinc/28/86/93/569288693.db2.gz PCGKKUFYCXYPJP-JXMROGBWSA-N 0 0 432.314 4.029 40 0 IIABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C(C)c3cc(C)ccc3N1[C@@H]2C(=O)c1cccs1 ZINC000008993253 569292839 /nfs/dbraw/zinc/29/28/39/569292839.db2.gz SZHVEPUVIXHIHU-NMIHRBCNSA-N 0 0 434.561 4.315 40 0 IIABRN c1ccc(CN2[C@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]3O[C@H](c4ccccc4)OC[C@@H]32)cc1 ZINC000077272725 569293173 /nfs/dbraw/zinc/29/31/73/569293173.db2.gz FUFUWIXEZSOGPO-UIQLYKSZSA-N 0 0 429.516 4.468 40 0 in-vitro IIABRN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000009953328 569298735 /nfs/dbraw/zinc/29/87/35/569298735.db2.gz KWVQAKUXHIUMNS-VMNRDUPSSA-N 0 0 447.624 4.451 40 0 IIABRN CC[C@@H](C(=O)c1ccc(C)cc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC ZINC000009972670 569298777 /nfs/dbraw/zinc/29/87/77/569298777.db2.gz NNCHOCPXJJOWSP-LZQZEXGQSA-N 0 0 445.309 4.458 40 0 IIABRN O=C(Cn1c2cnnn2c2cc(Cl)ccc2c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000010273286 569299485 /nfs/dbraw/zinc/29/94/85/569299485.db2.gz NQCLXOXFXXERED-UHFFFAOYSA-N 0 0 445.866 4.129 40 0 IIABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1cccc(Cl)c1Cl ZINC000261362715 569315632 /nfs/dbraw/zinc/31/56/32/569315632.db2.gz DVVFCJCPTCTSCK-LJQANCHMSA-O 0 0 448.355 4.469 40 0 IIABRN CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)c2ccccn2)CC1 ZINC000019700407 569327164 /nfs/dbraw/zinc/32/71/64/569327164.db2.gz MWHFPSBNIGHTMJ-UHFFFAOYSA-N 0 0 431.511 4.099 40 0 IIABRN Cc1cccc(-c2ccc(CC3(C(=O)N(C)C)CCN(C(=O)c4cnccn4)CC3)cc2)c1 ZINC000019700519 569327278 /nfs/dbraw/zinc/32/72/78/569327278.db2.gz ZKYIGWVETNZZSU-UHFFFAOYSA-N 0 0 442.563 4.005 40 0 IIABRN CCN(C(=O)c1cc(C)nc(N)n1)[C@H]1CCO[C@@H](c2cccc(-c3ccc(OC)cc3)c2)C1 ZINC000019712028 569327658 /nfs/dbraw/zinc/32/76/58/569327658.db2.gz OTCGAFQEVGTAEI-XUZZJYLKSA-N 0 0 446.551 4.425 40 0 IIABRN CCOC[C@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218633598 569458902 /nfs/dbraw/zinc/45/89/02/569458902.db2.gz 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COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(O)cc2s1 ZINC000017095711 569584158 /nfs/dbraw/zinc/58/41/58/569584158.db2.gz XCZGDYQXYLLTLY-UHFFFAOYSA-N 0 0 428.322 4.444 40 0 IIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000328984455 569584285 /nfs/dbraw/zinc/58/42/85/569584285.db2.gz HMGYCENARJNGLX-IBGZPJMESA-N 0 0 431.462 5.038 40 0 IIABRN CC1=C[C@@H](CNC(=O)COc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 ZINC000030881336 291380343 /nfs/dbraw/zinc/38/03/43/291380343.db2.gz QJIWGCLGOHMODP-LSQMVHIFSA-N 0 0 449.595 4.138 40 0 biogenic,in-vitro IIABRN CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN21 ZINC000253406968 291379798 /nfs/dbraw/zinc/37/97/98/291379798.db2.gz VJYADZSBYKVCFU-FQEVSTJZSA-N 0 0 446.378 4.054 40 0 biogenic,in-vitro IIABRN CN(Cc1nc(C2(O)CC[NH+](C3CCC(F)(F)CC3)CC2)cs1)Cc1cccnc1 ZINC000225426006 291381799 /nfs/dbraw/zinc/38/17/99/291381799.db2.gz SAHRHTMGEBQXQX-UHFFFAOYSA-N 0 0 436.572 4.031 40 0 biogenic,in-vitro IIABRN 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132349084 /nfs/dbraw/zinc/34/90/84/132349084.db2.gz QNBUFAPTBZSDCS-UHFFFAOYSA-N 0 0 433.577 4.357 40 0 IIABRN CC(=O)N1CCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)CC1 ZINC000013563001 132349891 /nfs/dbraw/zinc/34/98/91/132349891.db2.gz YLCLSBODNXERKB-UHFFFAOYSA-N 0 0 432.568 4.106 40 0 IIABRN O=C(Nc1ccccc1Cl)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681693 132353273 /nfs/dbraw/zinc/35/32/73/132353273.db2.gz XWKDGMCXRNWRJF-OAQYLSRUSA-N 0 0 442.924 4.076 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000223281052 517752938 /nfs/dbraw/zinc/75/29/38/517752938.db2.gz UVJOTRHKBHCEOZ-KRWDZBQOSA-N 0 0 427.303 4.065 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1csnn1 ZINC000012638445 518748158 /nfs/dbraw/zinc/74/81/58/518748158.db2.gz KVXFZLINLKIMEN-KRWDZBQOSA-N 0 0 432.933 4.083 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000012636238 518748278 /nfs/dbraw/zinc/74/82/78/518748278.db2.gz UCNICDYFXHXSLB-SFHVURJKSA-N 0 0 430.480 4.119 40 0 IIABRN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O ZINC000001168175 518851424 /nfs/dbraw/zinc/85/14/24/518851424.db2.gz QGSYQWMAQIQJSC-DDOIHHOZSA-N 0 0 438.948 4.063 40 0 IIABRN CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cccnc4N)CC3)cc2n1 ZINC000019083836 518995927 /nfs/dbraw/zinc/99/59/27/518995927.db2.gz SHQLQJJSWRPTMG-UHFFFAOYSA-N 0 0 446.477 4.043 40 0 IIABRN CC(C)CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012637883 519649927 /nfs/dbraw/zinc/64/99/27/519649927.db2.gz QOBQJDYDZLAWRI-FQEVSTJZSA-N 0 0 432.565 4.356 40 0 IIABRN CC(C)NC(=O)CN1c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2OC(C)(C)C1=O ZINC000012875741 519707153 /nfs/dbraw/zinc/70/71/53/519707153.db2.gz ZISWAGHQZQFVSX-UHFFFAOYSA-N 0 0 437.540 4.091 40 0 IIABRN CC(C)[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1nccc2ccccc21 ZINC000012141882 519796216 /nfs/dbraw/zinc/79/62/16/519796216.db2.gz MCYWFOAEVAAARP-JOCHJYFZSA-N 0 0 448.473 4.191 40 0 IIABRN 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4.335 40 0 IIABRN COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCCCC[C@@H]3c3cc(C)no3)C2)cc1Cl ZINC000019120088 522790564 /nfs/dbraw/zinc/79/05/64/522790564.db2.gz BIFXODTXORLRDT-DYESRHJHSA-N 0 0 447.919 4.291 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3ccc(C)cc3[nH]c1=O)N(C(=O)C(C)(C)C)CC2 ZINC000035313420 523040215 /nfs/dbraw/zinc/04/02/15/523040215.db2.gz HUUBAQCRFFSRMS-QHCPKHFHSA-N 0 0 434.536 4.374 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3ccc(C)c(C)c3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035313464 523040444 /nfs/dbraw/zinc/04/04/44/523040444.db2.gz JTIGYZHPUVVQIQ-VWLOTQADSA-N 0 0 446.547 4.436 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3cc(C)c(C)cc3[nH]c1=O)N(C(=O)C1CC1)CC2 ZINC000035313433 523048620 /nfs/dbraw/zinc/04/86/20/523048620.db2.gz QMVNDMVUTMXNID-XMMPIXPASA-N 0 0 432.520 4.046 40 0 IIABRN CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236911 523330689 /nfs/dbraw/zinc/33/06/89/523330689.db2.gz ZBNLIEXKPPZGNP-UHFFFAOYSA-N 0 0 447.432 4.142 40 0 IIABRN COc1ccc(-n2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1Cl ZINC000020610822 523349234 /nfs/dbraw/zinc/34/92/34/523349234.db2.gz VLOZAFOEJTZSKE-UHFFFAOYSA-N 0 0 428.901 4.192 40 0 IIABRN CCc1cc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N4)CC2)on1 ZINC000012182641 523753345 /nfs/dbraw/zinc/75/33/45/523753345.db2.gz JXXMIVSAJSFRSD-MAUKXSAKSA-N 0 0 439.482 4.397 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3nc(C)c(C)c3C)cc2n1 ZINC000012230165 523778990 /nfs/dbraw/zinc/77/89/90/523778990.db2.gz ZETUJKAMWZMRFH-SFHVURJKSA-N 0 0 448.493 4.186 40 0 IIABRN CN(C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)C1CCCC1 ZINC000020480953 523814888 /nfs/dbraw/zinc/81/48/88/523814888.db2.gz YSCGHDIDRCRZPN-UHFFFAOYSA-N 0 0 444.641 4.321 40 0 IIABRN CCc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccnc2)cc1 ZINC000035291676 523867783 /nfs/dbraw/zinc/86/77/83/523867783.db2.gz KULSSQHCABGLQZ-UHFFFAOYSA-N 0 0 429.549 4.300 40 0 IIABRN COc1ccc(CCCC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1C 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RDSUPWCYTWWFJB-LJQANCHMSA-N 0 0 426.542 4.305 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 ZINC000035290393 524299430 /nfs/dbraw/zinc/29/94/30/524299430.db2.gz VEABZMRXDMWXOH-UHFFFAOYSA-N 0 0 435.484 4.208 40 0 IIABRN Cc1cccc(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 ZINC000022394494 524350649 /nfs/dbraw/zinc/35/06/49/524350649.db2.gz NWODZRNVFYQASN-UHFFFAOYSA-N 0 0 446.569 4.140 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428205 524363575 /nfs/dbraw/zinc/36/35/75/524363575.db2.gz CQHAHBNEYOLEGN-UHFFFAOYSA-N 0 0 436.577 4.466 40 0 IIABRN COc1ccccc1CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000020458767 524434783 /nfs/dbraw/zinc/43/47/83/524434783.db2.gz FNZAMJXRKKAREC-UHFFFAOYSA-N 0 0 438.549 4.385 40 0 IIABRN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c1 ZINC000012256506 524454487 /nfs/dbraw/zinc/45/44/87/524454487.db2.gz HPKPWSVVJGFTMW-SFHVURJKSA-N 0 0 432.524 4.035 40 0 IIABRN Cc1cccc(N(CC(=O)NCCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022280029 524522103 /nfs/dbraw/zinc/52/21/03/524522103.db2.gz MIMXDHJOTWLLCS-UHFFFAOYSA-N 0 0 440.540 4.078 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3cc(C)ccc3C)cc2)cc1 ZINC000012488293 524693471 /nfs/dbraw/zinc/69/34/71/524693471.db2.gz IZXXUNXARIIDLW-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN COc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccc(C)cc1 ZINC000035311039 524711873 /nfs/dbraw/zinc/71/18/73/524711873.db2.gz JYVGTRAHLZSEGY-FQEVSTJZSA-N 0 0 438.553 4.158 40 0 IIABRN COc1ncc(-c2nc(NCc3ccccc3OC)ncc2-c2ccsc2)c(OC)n1 ZINC000012252659 524992816 /nfs/dbraw/zinc/99/28/16/524992816.db2.gz XHSTWMZYKWWSFV-UHFFFAOYSA-N 0 0 435.509 4.300 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1C ZINC000022380249 525012377 /nfs/dbraw/zinc/01/23/77/525012377.db2.gz CNHZUEBNXHGPKF-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020487555 525099567 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NGMNQNGKFLZVIR-UHFFFAOYSA-N 0 0 428.941 4.422 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000022335065 525693312 /nfs/dbraw/zinc/69/33/12/525693312.db2.gz RZTRTWDAVLUYNM-CQSZACIVSA-N 0 0 429.369 4.254 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-c2ccncc2)c1 ZINC000035311903 525747972 /nfs/dbraw/zinc/74/79/72/525747972.db2.gz KVTQVZNAPISBPD-UHFFFAOYSA-N 0 0 447.520 4.077 40 0 IIABRN Cc1ccsc1[C@@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012870294 525868683 /nfs/dbraw/zinc/86/86/83/525868683.db2.gz BWVQNKAVWFNLTG-SFHVURJKSA-N 0 0 444.557 4.494 40 0 IIABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCc2ccccc2)C(=O)c2csnn2)cc1 ZINC000012638529 525871368 /nfs/dbraw/zinc/87/13/68/525871368.db2.gz PEJYYJZKOBTAGI-OAQYLSRUSA-N 0 0 436.581 4.187 40 0 IIABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2F)cc1 ZINC000012869822 525873634 /nfs/dbraw/zinc/87/36/34/525873634.db2.gz CTUTZRVQNQRGOO-OAQYLSRUSA-N 0 0 438.528 4.433 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c(C)c1 ZINC000020455306 525886799 /nfs/dbraw/zinc/88/67/99/525886799.db2.gz GGCUESLSXTXWLK-SFHVURJKSA-N 0 0 449.016 4.376 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C ZINC000022362001 525888361 /nfs/dbraw/zinc/88/83/61/525888361.db2.gz CXWGRCQBYSUFQQ-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1ccc(-n2c3nnc(SC[C@H](O)c4ccccc4)n3c3ccccc3c2=O)cc1 ZINC000012553025 525903495 /nfs/dbraw/zinc/90/34/95/525903495.db2.gz CTZWEFMIZABBLM-NRFANRHFSA-N 0 0 428.517 4.168 40 0 IIABRN C[C@@H](Oc1ccc(F)cc1F)C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000012219783 525931560 /nfs/dbraw/zinc/93/15/60/525931560.db2.gz UEGFFCFFBNQSLW-VLIAUNLRSA-N 0 0 438.478 4.414 40 0 IIABRN C[C@@H](Oc1ccc(F)cc1F)C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000012219781 525932314 /nfs/dbraw/zinc/93/23/14/525932314.db2.gz UEGFFCFFBNQSLW-JLTOFOAXSA-N 0 0 438.478 4.414 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)C3[C@@H]4CCCC[C@H]34)cc2)on1 ZINC000012159327 526046254 /nfs/dbraw/zinc/04/62/54/526046254.db2.gz BPNPGYAXOAITMK-QIDMFYOTSA-N 0 0 431.540 4.225 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@H](c3nc(Nc4ccccc4)n4ccsc34)C2)c(=O)n1C ZINC000019131606 526104563 /nfs/dbraw/zinc/10/45/63/526104563.db2.gz AGZYIZKSRSXVCJ-KRWDZBQOSA-N 0 0 447.564 4.166 40 0 IIABRN CSc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000016248789 526113251 /nfs/dbraw/zinc/11/32/51/526113251.db2.gz ABVLDCRDTVBGGC-UHFFFAOYSA-N 0 0 426.563 4.238 40 0 IIABRN CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000012371916 526167352 /nfs/dbraw/zinc/16/73/52/526167352.db2.gz PBCJWXVQQPJEHB-UHFFFAOYSA-N 0 0 426.563 4.238 40 0 IIABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)cc3)c3nnnn3c2c1 ZINC000035290968 526229623 /nfs/dbraw/zinc/22/96/23/526229623.db2.gz IFIDXWZTNUKJBW-FQEVSTJZSA-N 0 0 435.915 4.061 40 0 IIABRN O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCc2ccccc2C1 ZINC000022518800 526625769 /nfs/dbraw/zinc/62/57/69/526625769.db2.gz CBGOZPLNQHLYAZ-UHFFFAOYSA-N 0 0 426.925 4.339 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)[nH]c3c(-c4ccc(F)cc4)nnn3c2c1 ZINC000021867524 526661323 /nfs/dbraw/zinc/66/13/23/526661323.db2.gz XOYWGQLSQYLRLS-UHFFFAOYSA-N 0 0 447.857 4.373 40 0 IIABRN O=C(c1ccc(CS(=O)(=O)N2CCCCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000022520024 526670609 /nfs/dbraw/zinc/67/06/09/526670609.db2.gz OLFNHMBRCGYZRS-UHFFFAOYSA-N 0 0 440.609 4.097 40 0 IIABRN O=C(NCc1ccc(F)cc1)c1ccc2c(=O)[nH]c3c(-c4ccc(Cl)cc4)nnn3c2c1 ZINC000021867282 526674613 /nfs/dbraw/zinc/67/46/13/526674613.db2.gz QBJQQXIJEKQMJO-UHFFFAOYSA-N 0 0 447.857 4.373 40 0 IIABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)c(F)c1 ZINC000022393580 526703597 /nfs/dbraw/zinc/70/35/97/526703597.db2.gz OAEFAKIDJKUGHF-UHFFFAOYSA-N 0 0 438.402 4.077 40 0 IIABRN O=C(NCc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000036629035 526712035 /nfs/dbraw/zinc/71/20/35/526712035.db2.gz LWWKKKPQSKOJGL-UHFFFAOYSA-N 0 0 446.878 4.073 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1 ZINC000012880130 526735025 /nfs/dbraw/zinc/73/50/25/526735025.db2.gz HILLZAXHZYNSCO-ZJSXRUAMSA-N 0 0 444.556 4.357 40 0 IIABRN O=C(c1cccs1)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012645624 526834901 /nfs/dbraw/zinc/83/49/01/526834901.db2.gz MUIBPDQZUYSPDK-UHFFFAOYSA-N 0 0 432.501 4.203 40 0 IIABRN Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)N4CCCC[C@@H]4C)C3)c(=O)c2c1C ZINC000012184122 526888318 /nfs/dbraw/zinc/88/83/18/526888318.db2.gz BFECAFCITBSWLX-QFBILLFUSA-N 0 0 444.645 4.236 40 0 IIABRN O=C(COc1ccc(I)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000015976855 526963089 /nfs/dbraw/zinc/96/30/89/526963089.db2.gz MYGAAWKXFYMBSY-UHFFFAOYSA-N 0 0 435.183 4.005 40 0 IIABRN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000012253023 527038853 /nfs/dbraw/zinc/03/88/53/527038853.db2.gz PFAJJUCPQYYPHW-IBGZPJMESA-N 0 0 442.475 4.123 40 0 IIABRN O=C(CSc1nnc2[nH]c(=O)c(-c3ccc(Cl)cc3)nn21)c1ccc(Cl)cc1 ZINC000022720295 527091496 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440.431 4.470 40 0 IIABRN Cn1ncc(Cl)c1[C@@H]1CCCCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC000012133761 527572579 /nfs/dbraw/zinc/57/25/79/527572579.db2.gz JECYVBYYWGBMIU-INIZCTEOSA-N 0 0 443.901 4.312 40 0 IIABRN CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504560 535170493 /nfs/dbraw/zinc/17/04/93/535170493.db2.gz MDFWRGGXJNJLTJ-OAQYLSRUSA-N 0 0 444.505 4.260 40 0 IIABRN Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000034910261 555560604 /nfs/dbraw/zinc/56/06/04/555560604.db2.gz POJGMPRXMPWLSJ-FYJGNVAPSA-N 0 0 432.480 4.255 40 0 IIABRN CCn1ncc(CN(C)C(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)c1C ZINC000000815329 555561297 /nfs/dbraw/zinc/56/12/97/555561297.db2.gz DFWYLVSJBBCXND-UHFFFAOYSA-N 0 0 438.482 4.439 40 0 IIABRN CCc1cc(I)ccc1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000001261838 555688111 /nfs/dbraw/zinc/68/81/11/555688111.db2.gz BPEJNKZFLAEDSY-DHZHZOJOSA-N 0 0 436.318 4.380 40 0 IIABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)Cc4ccc(Cl)cc4)c3)nn12 ZINC000010010281 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CCOCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703050 556107617 /nfs/dbraw/zinc/10/76/17/556107617.db2.gz DJXXKYOIJLFHKA-QFIPXVFZSA-N 0 0 432.973 4.271 40 0 IIABRN O=C(NCc1ccccn1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703780 556111288 /nfs/dbraw/zinc/11/12/88/556111288.db2.gz HADPWACMMFFDJM-QHCPKHFHSA-N 0 0 437.952 4.439 40 0 IIABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3ccccc3)cc2)cc1 ZINC000408703929 556111640 /nfs/dbraw/zinc/11/16/40/556111640.db2.gz WETPGKSXEUEKRZ-UHFFFAOYSA-N 0 0 440.590 4.206 40 0 IIABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000408709509 556115834 /nfs/dbraw/zinc/11/58/34/556115834.db2.gz CBFSKLYMRSSERO-IBGZPJMESA-N 0 0 443.547 4.037 40 0 IIABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000408709964 556116288 /nfs/dbraw/zinc/11/62/88/556116288.db2.gz JNGVDBMCIIQFQL-UHFFFAOYSA-N 0 0 449.938 4.087 40 0 IIABRN COc1ccc(-c2nnc(CN(C)C(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cc1OC ZINC000408714098 556128806 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4.286 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000010008687 556320702 /nfs/dbraw/zinc/32/07/02/556320702.db2.gz COBMYYJDWIVOQO-UHFFFAOYSA-N 0 0 434.989 4.262 40 0 IIABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1N1CCCC1 ZINC000010009872 556321799 /nfs/dbraw/zinc/32/17/99/556321799.db2.gz CULIKMTUXNFPGO-UHFFFAOYSA-N 0 0 437.565 4.381 40 0 IIABRN COc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010326887 556331461 /nfs/dbraw/zinc/33/14/61/556331461.db2.gz BUEHRRSPVGGPLD-KRWDZBQOSA-N 0 0 436.533 4.396 40 0 IIABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl ZINC000010331959 556332123 /nfs/dbraw/zinc/33/21/23/556332123.db2.gz YFUISRMKORHFNT-CQSZACIVSA-N 0 0 432.929 4.295 40 0 IIABRN Cc1ccccc1CSCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000010333751 556332520 /nfs/dbraw/zinc/33/25/20/556332520.db2.gz GEFWZLFFSLUMJX-UHFFFAOYSA-N 0 0 448.654 4.108 40 0 IIABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1Br ZINC000014001181 556353380 /nfs/dbraw/zinc/35/33/80/556353380.db2.gz UUMLDCAKAUQGGN-UHFFFAOYSA-N 0 0 431.330 4.401 40 0 IIABRN Cc1cc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000014135341 556374797 /nfs/dbraw/zinc/37/47/97/556374797.db2.gz PKIZOROYVFWSNQ-UHFFFAOYSA-N 0 0 436.577 4.484 40 0 IIABRN O=C(c1cc[nH]n1)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000012088412 556401256 /nfs/dbraw/zinc/40/12/56/556401256.db2.gz YLRQRXZSLDMQMZ-GFCCVEGCSA-N 0 0 446.458 4.220 40 0 IIABRN O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015011685 556483522 /nfs/dbraw/zinc/48/35/22/556483522.db2.gz SSXKFCRXOGNKHX-UHFFFAOYSA-N 0 0 428.888 4.435 40 0 IIABRN COc1cccc(CCC(=O)N[C@H](C)Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)c1 ZINC000013227538 556500070 /nfs/dbraw/zinc/50/00/70/556500070.db2.gz DERPCZYPNBPWOU-MRXNPFEDSA-N 0 0 446.469 4.475 40 0 IIABRN CCOc1cccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000030756517 556504894 /nfs/dbraw/zinc/50/48/94/556504894.db2.gz OOSYSOAMLCTVBA-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN Cc1nn(C)c(C)c1Cn1nc(C)c(NC(=O)c2cc(C)nc3c2c(C)nn3C(C)C)c1C ZINC000036611941 556504982 /nfs/dbraw/zinc/50/49/82/556504982.db2.gz YAPPXDPKUUAXPQ-UHFFFAOYSA-N 0 0 448.575 4.093 40 0 IIABRN COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000030848782 556508015 /nfs/dbraw/zinc/50/80/15/556508015.db2.gz YLFAXKKMWUOXCS-UHFFFAOYSA-N 0 0 430.913 4.079 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000030857467 556510483 /nfs/dbraw/zinc/51/04/83/556510483.db2.gz MZANEZBXYNPHFO-UHFFFAOYSA-N 0 0 436.577 4.466 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581789 556528069 /nfs/dbraw/zinc/52/80/69/556528069.db2.gz ZAHIHVXHLHUIPG-UHFFFAOYSA-N 0 0 438.549 4.085 40 0 IIABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581958 556528365 /nfs/dbraw/zinc/52/83/65/556528365.db2.gz KZRBFQBBYLYLSA-UHFFFAOYSA-N 0 0 444.597 4.059 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015471462 556529454 /nfs/dbraw/zinc/52/94/54/556529454.db2.gz VEQKJKOZVOBKBO-SFHVURJKSA-N 0 0 438.549 4.320 40 0 IIABRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)c1 ZINC000032126472 556535438 /nfs/dbraw/zinc/53/54/38/556535438.db2.gz ANJWWHTUJCHARH-UHFFFAOYSA-N 0 0 426.498 4.092 40 0 IIABRN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000032127253 556536005 /nfs/dbraw/zinc/53/60/05/556536005.db2.gz ZAGNRROIZQVSFQ-UHFFFAOYSA-N 0 0 438.336 4.457 40 0 IIABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nn12 ZINC000032127422 556536432 /nfs/dbraw/zinc/53/64/32/556536432.db2.gz CXBCIEOWRDREMD-UHFFFAOYSA-N 0 0 442.957 4.250 40 0 IIABRN Cc1ccc(CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000013631794 556539169 /nfs/dbraw/zinc/53/91/69/556539169.db2.gz LVBBNBDDSPHZNY-UHFFFAOYSA-N 0 0 436.577 4.324 40 0 IIABRN Cc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 ZINC000013632825 556539926 /nfs/dbraw/zinc/53/99/26/556539926.db2.gz ROFSYDUGSSRHOL-UHFFFAOYSA-N 0 0 428.598 4.231 40 0 IIABRN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)c(=O)n(-c1cccc(Cl)c1)c2=O ZINC000013634536 556540605 /nfs/dbraw/zinc/54/06/05/556540605.db2.gz BLIISRQIDXLXKJ-UHFFFAOYSA-N 0 0 436.895 4.180 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2cc(Cl)ccc2C)cc1 ZINC000013648691 556545104 /nfs/dbraw/zinc/54/51/04/556545104.db2.gz FVSLBBPMEWAPRF-KRWDZBQOSA-N 0 0 434.989 4.411 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1cccc(Cl)c1)N2c1cccc(Cl)c1 ZINC000032640997 556545639 /nfs/dbraw/zinc/54/56/39/556545639.db2.gz PGIVLAUBUUPBDS-SJORKVTESA-N 0 0 427.378 4.268 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)c(Cl)c1Cl ZINC000013668456 556548987 /nfs/dbraw/zinc/54/89/87/556548987.db2.gz OSYRCNPNEIZHCJ-UHFFFAOYSA-N 0 0 434.341 4.276 40 0 IIABRN CCOc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013668393 556549014 /nfs/dbraw/zinc/54/90/14/556549014.db2.gz VNWHCVILHQTLNU-UHFFFAOYSA-N 0 0 442.512 4.083 40 0 IIABRN Cc1cccc(CCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000013669935 556550789 /nfs/dbraw/zinc/55/07/89/556550789.db2.gz IRCGUWUGPCXBGR-UHFFFAOYSA-N 0 0 436.577 4.324 40 0 IIABRN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013679542 556556124 /nfs/dbraw/zinc/55/61/24/556556124.db2.gz LKEWBJTUDQELBC-CYBMUJFWSA-N 0 0 445.343 4.313 40 0 IIABRN O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013681251 556556841 /nfs/dbraw/zinc/55/68/41/556556841.db2.gz BTDDKVDREYLBHL-CQSZACIVSA-N 0 0 445.343 4.313 40 0 IIABRN CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000016161294 556586350 /nfs/dbraw/zinc/58/63/50/556586350.db2.gz JWJYSSHMQSWMGZ-UHFFFAOYSA-N 0 0 428.270 4.120 40 0 IIABRN COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000100799262 556591136 /nfs/dbraw/zinc/59/11/36/556591136.db2.gz WMUKCJWSARQGPN-FKBYEOEOSA-N 0 0 434.879 4.400 40 0 IIABRN Cc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](CNC(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000016292405 556598126 /nfs/dbraw/zinc/59/81/26/556598126.db2.gz MWXLCFDLGCNBOY-PSWAGMNNSA-N 0 0 436.600 4.408 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000016383926 556604291 /nfs/dbraw/zinc/60/42/91/556604291.db2.gz UIKCYPBJZPWFCR-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(Cl)ccc1Cl ZINC000016428979 556607012 /nfs/dbraw/zinc/60/70/12/556607012.db2.gz XVZVPCDPUFWWRC-UHFFFAOYSA-N 0 0 443.352 4.186 40 0 IIABRN O=C(Nc1ccccc1)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000016480250 556611395 /nfs/dbraw/zinc/61/13/95/556611395.db2.gz NBFGIFVJOSUCNQ-QFIPXVFZSA-N 0 0 432.476 4.054 40 0 IIABRN Cn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000038535094 556613634 /nfs/dbraw/zinc/61/36/34/556613634.db2.gz FOFIHMDVXDNLBN-UHFFFAOYSA-N 0 0 425.316 4.483 40 0 IIABRN COc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1OC ZINC000038755549 556617777 /nfs/dbraw/zinc/61/77/77/556617777.db2.gz SKGHANOFNIKQRS-NSHDSACASA-N 0 0 428.710 4.376 40 0 IIABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc3ccccc31)O2 ZINC000038834095 556622511 /nfs/dbraw/zinc/62/25/11/556622511.db2.gz OLTSYBVWIUPJSF-QFIPXVFZSA-N 0 0 438.549 4.303 40 0 IIABRN COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000038834783 556622834 /nfs/dbraw/zinc/62/28/34/556622834.db2.gz NDENZTJSDCMOSK-UHFFFAOYSA-N 0 0 433.346 4.317 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038849651 556624475 /nfs/dbraw/zinc/62/44/75/556624475.db2.gz DHOQOFYHDYBDSS-LJQANCHMSA-N 0 0 436.961 4.112 40 0 IIABRN CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)c(COC)nn3c2C)cc1 ZINC000039963918 556630750 /nfs/dbraw/zinc/63/07/50/556630750.db2.gz MYFVSJUZZVYUCD-UHFFFAOYSA-N 0 0 435.459 4.036 40 0 IIABRN CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985388 556631856 /nfs/dbraw/zinc/63/18/56/556631856.db2.gz KAPQRGIJIOIKKQ-UHFFFAOYSA-N 0 0 440.521 4.137 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(SC)c2)cc1Cl ZINC000039986538 556633247 /nfs/dbraw/zinc/63/32/47/556633247.db2.gz UAKDTKVGKAYKAZ-UHFFFAOYSA-N 0 0 442.990 4.110 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(OC)cc1 ZINC000040372586 556635202 /nfs/dbraw/zinc/63/52/02/556635202.db2.gz QLHYCVUSHXAQLN-UHFFFAOYSA-N 0 0 437.887 4.160 40 0 IIABRN COc1ccc2[nH]cc(CCn3ccc4c(cnc5c(-c6ccccc6)cnn54)c3=O)c2c1 ZINC000040387746 556636168 /nfs/dbraw/zinc/63/61/68/556636168.db2.gz UWTHEWAELMQMMT-UHFFFAOYSA-N 0 0 435.487 4.444 40 0 IIABRN COc1ccc(C=Cc2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)c(OC)c1 ZINC000040388580 556636306 /nfs/dbraw/zinc/63/63/06/556636306.db2.gz CFLMUOPTJHIMJM-BQYQJAHWSA-N 0 0 426.476 4.200 40 0 IIABRN Cc1nn2c(nnc3c2ccn(CCc2c[nH]c4ccc(C)cc24)c3=O)c1-c1ccccc1 ZINC000040391004 556637538 /nfs/dbraw/zinc/63/75/38/556637538.db2.gz NIKAASUKGWVIKU-UHFFFAOYSA-N 0 0 434.503 4.447 40 0 IIABRN Cc1nn2c(ncc3c2ccn(NC(=O)c2ccc(Cl)cc2)c3=O)c1-c1ccccc1 ZINC000040396318 556639070 /nfs/dbraw/zinc/63/90/70/556639070.db2.gz GXNAXEWFZQMYKH-UHFFFAOYSA-N 0 0 429.867 4.057 40 0 IIABRN Cc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397707 556639753 /nfs/dbraw/zinc/63/97/53/556639753.db2.gz VMNOYTMNAGAJFM-UHFFFAOYSA-N 0 0 443.894 4.365 40 0 IIABRN CCCCCOc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC ZINC000016779404 556641026 /nfs/dbraw/zinc/64/10/26/556641026.db2.gz IQPDCXBPJFNQFB-WTZKAOCRSA-N 0 0 447.560 4.447 40 0 IIABRN C[C@H](C=CNN=C1NN=C(c2ccccc2)[C@@H](c2ccccc2)N1)Sc1ccccc1N ZINC000016957645 556650631 /nfs/dbraw/zinc/65/06/31/556650631.db2.gz ZQKSBFPMIVVJJI-HZZQLMBGSA-N 0 0 442.592 4.462 40 0 IIABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000017097806 556662344 /nfs/dbraw/zinc/66/23/44/556662344.db2.gz KYTZPMQZNIJZTR-UHFFFAOYSA-N 0 0 432.304 4.435 40 0 IIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000017098702 556663578 /nfs/dbraw/zinc/66/35/78/556663578.db2.gz VVYQDXQPBBKSCZ-UHFFFAOYSA-N 0 0 433.961 4.474 40 0 IIABRN COc1ccc(-n2nc3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 ZINC000017098756 556663714 /nfs/dbraw/zinc/66/37/14/556663714.db2.gz WYVUYVPXVBHBKK-UHFFFAOYSA-N 0 0 434.324 4.377 40 0 IIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000044847290 556669682 /nfs/dbraw/zinc/66/96/82/556669682.db2.gz CMOCUDRCEDUWMI-OAQYLSRUSA-N 0 0 434.533 4.187 40 0 IIABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044848049 556669978 /nfs/dbraw/zinc/66/99/78/556669978.db2.gz NJEICWZGBSENLL-GOSISDBHSA-N 0 0 429.369 4.335 40 0 IIABRN COc1ccc([C@H]2S/C(=C/c3ccccc3O)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219237 556673735 /nfs/dbraw/zinc/67/37/35/556673735.db2.gz JKXGNUGIDWUJAD-UQTDQPHJSA-N 0 0 446.528 4.290 40 0 IIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Br)cc2)cc1Cl ZINC000044899801 556676678 /nfs/dbraw/zinc/67/66/78/556676678.db2.gz OKZAXXIGIQJOBB-UHFFFAOYSA-N 0 0 432.723 4.221 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000044901725 556678218 /nfs/dbraw/zinc/67/82/18/556678218.db2.gz HSSGDKXFPLMPDA-ZDUSSCGKSA-N 0 0 445.368 4.036 40 0 IIABRN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000044911484 556680923 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JZZGEWOSOLKOMC-KRWDZBQOSA-N 0 0 434.569 4.455 40 0 IIABRN COc1ccc(NC(=O)N(Cc2cccnc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000001353255 556781212 /nfs/dbraw/zinc/78/12/12/556781212.db2.gz PNARXXAKGAMNGW-UHFFFAOYSA-N 0 0 428.492 4.474 40 0 IIABRN Cc1cc(C)cc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)c1 ZINC000001357625 556783594 /nfs/dbraw/zinc/78/35/94/556783594.db2.gz CADHXVARXOHMDG-JOCHJYFZSA-N 0 0 449.580 4.387 40 0 IIABRN CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000019526679 556785106 /nfs/dbraw/zinc/78/51/06/556785106.db2.gz SNUQFVDYBJYRKS-UHFFFAOYSA-N 0 0 432.524 4.105 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)cc12 ZINC000001373153 556785546 /nfs/dbraw/zinc/78/55/46/556785546.db2.gz OVXGREVOYVCIQQ-UHFFFAOYSA-N 0 0 446.555 4.108 40 0 IIABRN CCN1CCN(C(=O)CC[C@H]2CCCO2)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O ZINC000019527511 556786114 /nfs/dbraw/zinc/78/61/14/556786114.db2.gz TWHPCFUNUJHAMO-LOSJGSFVSA-N 0 0 448.607 4.471 40 0 IIABRN CCN1CCN(C(=O)CCc2ccccc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019527573 556786259 /nfs/dbraw/zinc/78/62/59/556786259.db2.gz IMANXIBXECMKFJ-SANMLTNESA-N 0 0 441.575 4.231 40 0 IIABRN CCN1CCN(C(=O)c2cnn(C(C)C)c2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527657 556786584 /nfs/dbraw/zinc/78/65/84/556786584.db2.gz UOIAVNRMCSEHIL-QHCPKHFHSA-N 0 0 444.579 4.294 40 0 IIABRN COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1ccccc1 ZINC000001359838 556786587 /nfs/dbraw/zinc/78/65/87/556786587.db2.gz FNEYDVGOPNPENG-FOCLMDBBSA-N 0 0 425.488 4.174 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccc(F)c2)C1 ZINC000019528619 556788457 /nfs/dbraw/zinc/78/84/57/556788457.db2.gz CWYYLBVCXIKFMD-MHZLTWQESA-N 0 0 445.538 4.489 40 0 IIABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1OC ZINC000001363145 556789042 /nfs/dbraw/zinc/78/90/42/556789042.db2.gz CXKSBLVXAZTTGG-INIZCTEOSA-N 0 0 427.888 4.427 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)cc1Cl ZINC000001363550 556789249 /nfs/dbraw/zinc/78/92/49/556789249.db2.gz ZNKSBHNLBJHTKD-MRXNPFEDSA-N 0 0 441.380 4.019 40 0 IIABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2ccccn2)C1 ZINC000019528920 556789579 /nfs/dbraw/zinc/78/95/79/556789579.db2.gz BJLSLDLUIVOXFF-MUUNZHRXSA-N 0 0 441.575 4.197 40 0 IIABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2ccccn2)C1 ZINC000019529051 556790161 /nfs/dbraw/zinc/79/01/61/556790161.db2.gz YRSRCOHVULWERX-MHZLTWQESA-N 0 0 427.548 4.268 40 0 IIABRN Cc1ccc2c(c1)cc(CN(Cc1ccc(Cl)cc1)C(=O)c1ccncc1)c1nnnn12 ZINC000001367164 556791604 /nfs/dbraw/zinc/79/16/04/556791604.db2.gz IYOBPJFLNWGKMJ-UHFFFAOYSA-N 0 0 442.910 4.477 40 0 IIABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3C)c3nnnn3c2c1 ZINC000001367308 556791846 /nfs/dbraw/zinc/79/18/46/556791846.db2.gz IDWSHGUAYCEJET-FQEVSTJZSA-N 0 0 430.512 4.107 40 0 IIABRN COCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2nc1Cl ZINC000001367739 556791993 /nfs/dbraw/zinc/79/19/93/556791993.db2.gz FAFKXOYMGLYOGR-UHFFFAOYSA-N 0 0 426.900 4.409 40 0 IIABRN Cc1cccc(NC(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)c1 ZINC000001370726 556792732 /nfs/dbraw/zinc/79/27/32/556792732.db2.gz WKBMKQFCVGLIRG-UHFFFAOYSA-N 0 0 430.537 4.416 40 0 IIABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374317 556792907 /nfs/dbraw/zinc/79/29/07/556792907.db2.gz JITGRVWWRXJBNO-QHCPKHFHSA-N 0 0 446.555 4.360 40 0 IIABRN CCOc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)cc1 ZINC000019533338 556793330 /nfs/dbraw/zinc/79/33/30/556793330.db2.gz PKSGGBVAELICNF-QFIPXVFZSA-N 0 0 427.545 4.085 40 0 IIABRN COc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2n2nnnc12 ZINC000001376757 556794025 /nfs/dbraw/zinc/79/40/25/556794025.db2.gz KMTKGEHHEPGVCN-UHFFFAOYSA-N 0 0 437.503 4.437 40 0 IIABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000001378396 556795435 /nfs/dbraw/zinc/79/54/35/556795435.db2.gz BKKJZIASUGUQKK-SFHVURJKSA-N 0 0 430.530 4.186 40 0 IIABRN COc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000001378412 556795465 /nfs/dbraw/zinc/79/54/65/556795465.db2.gz XZBGRAFGXWZTEH-LJQANCHMSA-N 0 0 442.566 4.055 40 0 IIABRN COc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000001378408 556795483 /nfs/dbraw/zinc/79/54/83/556795483.db2.gz PFIDPPBCQICHIQ-IBGZPJMESA-N 0 0 442.566 4.055 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1csnn1 ZINC000001378468 556795562 /nfs/dbraw/zinc/79/55/62/556795562.db2.gz AXZFYZPNPCGFKP-HXUWFJFHSA-N 0 0 442.516 4.103 40 0 IIABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1csnn1 ZINC000001378451 556795635 /nfs/dbraw/zinc/79/56/35/556795635.db2.gz ZBLHMXYWKXHUCZ-IBGZPJMESA-N 0 0 444.557 4.181 40 0 IIABRN COc1ccc(CNC(=O)[C@@H](CC(C)C)OC(=O)c2nsc(Cl)c2Cl)cc1 ZINC000001381323 556796938 /nfs/dbraw/zinc/79/69/38/556796938.db2.gz QZNBQUQQMDYOAX-CYBMUJFWSA-N 0 0 431.341 4.346 40 0 IIABRN O=C(COc1ccc(I)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000059400795 556799564 /nfs/dbraw/zinc/79/95/64/556799564.db2.gz ZWYMFTMGZTVNOY-UHFFFAOYSA-N 0 0 437.155 4.207 40 0 IIABRN COc1cccc(C[NH+]2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c1 ZINC000019564789 556805641 /nfs/dbraw/zinc/80/56/41/556805641.db2.gz OSNTWQRVSYOJBE-OAQYLSRUSA-N 0 0 426.488 4.084 40 0 IIABRN COc1ccc(OCC(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 ZINC000019564749 556805714 /nfs/dbraw/zinc/80/57/14/556805714.db2.gz RLRAUPYEDVGYFB-UHFFFAOYSA-N 0 0 431.439 4.262 40 0 IIABRN COc1cc(CN2Cc3cc4c(C)nn(-c5ccccc5)c4nc3OC2=O)cc(OC)c1 ZINC000019565718 556806425 /nfs/dbraw/zinc/80/64/25/556806425.db2.gz CDRWMCWWMUYYLO-UHFFFAOYSA-N 0 0 430.464 4.261 40 0 IIABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1I ZINC000003240081 556806514 /nfs/dbraw/zinc/80/65/14/556806514.db2.gz UVVDKPVTUHAIBW-JJRVBVJISA-N 0 0 444.309 4.452 40 0 IIABRN CSCC[C@@H](NC(=O)c1oc2ccccc2c1C)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019566241 556806945 /nfs/dbraw/zinc/80/69/45/556806945.db2.gz GBLJAKMIIWPPJC-MRXNPFEDSA-N 0 0 434.521 4.111 40 0 IIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)c2cc(C3CC3)nn2C)CC1 ZINC000019569085 556809384 /nfs/dbraw/zinc/80/93/84/556809384.db2.gz SDCOWGSVJCFKGL-UHFFFAOYSA-N 0 0 433.434 4.181 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2ccccn2)C1 ZINC000019579159 556816678 /nfs/dbraw/zinc/81/66/78/556816678.db2.gz IVUUJKYEQRUFMJ-AREMUKBSSA-N 0 0 447.604 4.292 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2ccccc2)C1 ZINC000019579281 556816872 /nfs/dbraw/zinc/81/68/72/556816872.db2.gz IHAMYYMWGWBFBG-HHHXNRCGSA-N 0 0 427.548 4.302 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 ZINC000019579595 556817337 /nfs/dbraw/zinc/81/73/37/556817337.db2.gz DAQZFUMVXRHPQK-UHFFFAOYSA-N 0 0 448.571 4.481 40 0 IIABRN CN(C)c1cc(C2CCN(C(=O)CCc3ccccc3F)CC2)nc(-c2ccncc2)n1 ZINC000019584600 556822104 /nfs/dbraw/zinc/82/21/04/556822104.db2.gz DAUCMXXKNJNPTR-UHFFFAOYSA-N 0 0 433.531 4.083 40 0 IIABRN CN1C(=O)S[C@H](CC(=O)N2CCC[C@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)C1=O ZINC000019586835 556823348 /nfs/dbraw/zinc/82/33/48/556823348.db2.gz AGFBTOGUZAOYIE-QFBILLFUSA-N 0 0 448.548 4.020 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2cccnc2)C1 ZINC000019591229 556826181 /nfs/dbraw/zinc/82/61/81/556826181.db2.gz GZOLKOIYDDNVIH-SANMLTNESA-N 0 0 431.511 4.099 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000019591367 556826660 /nfs/dbraw/zinc/82/66/60/556826660.db2.gz LJPFEOXQPMAGGY-CUNXSJBXSA-N 0 0 432.564 4.060 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cccc(OC)c2)C1 ZINC000019591583 556827190 /nfs/dbraw/zinc/82/71/90/556827190.db2.gz CGXXXSKRNAWULS-VWLOTQADSA-N 0 0 434.561 4.245 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccc(C)cc3C)cc2c1 ZINC000006090228 556828994 /nfs/dbraw/zinc/82/89/94/556828994.db2.gz BVYWXLPRIUHPFW-UHFFFAOYSA-N 0 0 439.581 4.125 40 0 IIABRN COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593228 556829506 /nfs/dbraw/zinc/82/95/06/556829506.db2.gz IHUNIWWLXUFKNK-VGOFRKELSA-N 0 0 436.383 4.494 40 0 IIABRN Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c2c1 ZINC000006282055 556831144 /nfs/dbraw/zinc/83/11/44/556831144.db2.gz RUCGUTDMGZOBEE-QFIPXVFZSA-N 0 0 428.540 4.120 40 0 IIABRN COc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Br)cc1OC ZINC000065086916 556832156 /nfs/dbraw/zinc/83/21/56/556832156.db2.gz GMGFVSWOIGYTIT-UHFFFAOYSA-N 0 0 442.737 4.248 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC[C@@H]3CCCO3)cc12 ZINC000006321969 556833282 /nfs/dbraw/zinc/83/32/82/556833282.db2.gz ALWNDZLLGMDULU-SFHVURJKSA-N 0 0 441.622 4.262 40 0 IIABRN COc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000260503942 556838712 /nfs/dbraw/zinc/83/87/12/556838712.db2.gz AIJXMBLSORCQFZ-GOSISDBHSA-N 0 0 446.613 4.416 40 0 IIABRN Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2cc(C)ccc2C)s1 ZINC000006548328 556838903 /nfs/dbraw/zinc/83/89/03/556838903.db2.gz RQOHWYYMMAZHPG-UHFFFAOYSA-N 0 0 440.554 4.343 40 0 IIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000019647243 556840894 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JVNHOWHBSPHARI-QGZVFWFLSA-N 0 0 442.976 4.254 40 0 IIABRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 ZINC000019690251 556845860 /nfs/dbraw/zinc/84/58/60/556845860.db2.gz LAATVNCYYCLTLR-LJQANCHMSA-N 0 0 444.988 4.234 40 0 IIABRN Cc1nc(C)n(CCC(=O)N2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)n1 ZINC000019691607 556847084 /nfs/dbraw/zinc/84/70/84/556847084.db2.gz GSKZFYRHVJNKQH-UHFFFAOYSA-N 0 0 435.547 4.125 40 0 IIABRN Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)[C@H](C)N3CCCC3=O)CC2)n1 ZINC000019691598 556847142 /nfs/dbraw/zinc/84/71/42/556847142.db2.gz UUKSPODDQUEMDW-SFHVURJKSA-N 0 0 439.987 4.351 40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCN(C)c3ccccc3F)CC2)n1 ZINC000019692123 556848161 /nfs/dbraw/zinc/84/81/61/556848161.db2.gz FQXHNKQHSZNCNV-UHFFFAOYSA-N 0 0 447.558 4.406 40 0 IIABRN COc1ccc(CCC(=O)N2CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC2)cc1 ZINC000019692159 556848463 /nfs/dbraw/zinc/84/84/63/556848463.db2.gz MUCYGMLICRHMMY-UHFFFAOYSA-N 0 0 430.552 4.382 40 0 IIABRN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 ZINC000019694162 556849658 /nfs/dbraw/zinc/84/96/58/556849658.db2.gz PAGRYKQBJVDORU-UHFFFAOYSA-N 0 0 446.551 4.247 40 0 IIABRN COc1ccc(NC(=O)CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cc1 ZINC000019694662 556850859 /nfs/dbraw/zinc/85/08/59/556850859.db2.gz KLKSFTWHMXOFBG-FQEVSTJZSA-N 0 0 445.567 4.036 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019695677 556852388 /nfs/dbraw/zinc/85/23/88/556852388.db2.gz GJYPZGDWYBEMPK-QFIPXVFZSA-N 0 0 441.535 4.027 40 0 IIABRN CCCn1c(CN2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)nc2ccccc21 ZINC000019696746 556853636 /nfs/dbraw/zinc/85/36/36/556853636.db2.gz AXVPOTXVHLBVPT-IBGZPJMESA-N 0 0 434.565 4.333 40 0 IIABRN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/SC(=O)N(C)C3=O)c1C)CCCC2 ZINC000408783198 556855053 /nfs/dbraw/zinc/85/50/53/556855053.db2.gz LXRNLXWCGCZVEL-MHWRWJLKSA-N 0 0 430.551 4.487 40 0 IIABRN COc1cc(Br)c(/C=C2\SC(Nc3ccccc3F)NC2=O)cc1OC ZINC000408807239 556859343 /nfs/dbraw/zinc/85/93/43/556859343.db2.gz KSZSZXRAKNSUOQ-UHFFFAOYSA-N 0 0 438.298 4.368 40 0 IIABRN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCCN(C(=O)C5CCC5)C4)nc32)c1 ZINC000019703451 556861805 /nfs/dbraw/zinc/86/18/05/556861805.db2.gz PMFRAKYWORSYMV-QFIPXVFZSA-N 0 0 446.595 4.121 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cs1 ZINC000019705548 556862554 /nfs/dbraw/zinc/86/25/54/556862554.db2.gz ZRMARJMHJPSALW-QGZVFWFLSA-N 0 0 438.528 4.187 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706607 556864989 /nfs/dbraw/zinc/86/49/89/556864989.db2.gz GSLIKWHAUZIBBQ-JOCHJYFZSA-N 0 0 447.627 4.462 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccn2)nc2c1CCCN2Cc1ccccc1 ZINC000019706834 556865493 /nfs/dbraw/zinc/86/54/93/556865493.db2.gz OBWWFQFXLIUTFZ-XMMPIXPASA-N 0 0 441.579 4.429 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)o1 ZINC000019706969 556865984 /nfs/dbraw/zinc/86/59/84/556865984.db2.gz ZMHJZPXUFOQUDV-NRFANRHFSA-N 0 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556891657 /nfs/dbraw/zinc/89/16/57/556891657.db2.gz YFNIENFAHFECRP-YPHDTHBOSA-N 0 0 443.886 4.220 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)CCc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753803 556897291 /nfs/dbraw/zinc/89/72/91/556897291.db2.gz GLFBGUHDLNEOMV-HSZRJFAPSA-N 0 0 446.526 4.150 40 0 IIABRN O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000408954988 556899032 /nfs/dbraw/zinc/89/90/32/556899032.db2.gz NZYABCJGVSWIPV-ZBEGNZNMSA-N 0 0 425.234 4.402 40 0 IIABRN Cc1cc(CCCC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)ccc1F ZINC000019756205 556899772 /nfs/dbraw/zinc/89/97/72/556899772.db2.gz AHQFWZVGIYORKO-QFIPXVFZSA-N 0 0 438.547 4.155 40 0 IIABRN Cc1cc(C)cc(OCC(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)C(F)(F)F)c1 ZINC000408958194 556900453 /nfs/dbraw/zinc/90/04/53/556900453.db2.gz XRBWMPXCLSSXLO-IBGZPJMESA-N 0 0 442.384 4.205 40 0 IIABRN Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(Cc3ccc(Cl)c(F)c3)CC2)n1 ZINC000019756639 556900484 /nfs/dbraw/zinc/90/04/84/556900484.db2.gz YVRGHNBTSXNRCB-UHFFFAOYSA-N 0 0 447.967 4.376 40 0 IIABRN COc1ccccc1C(=O)N1CCC2(C[C@@]3(CO2)Nc2ccccc2-n2cccc23)CC1 ZINC000072327251 556903963 /nfs/dbraw/zinc/90/39/63/556903963.db2.gz VIUUTRJEGMFVJZ-SANMLTNESA-N 0 0 429.520 4.202 40 0 IIABRN CCc1cc(C(=O)N2CC[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)on1 ZINC000019761658 556905311 /nfs/dbraw/zinc/90/53/11/556905311.db2.gz CMGWCNNGDFSURN-AWEZNQCLSA-N 0 0 447.520 4.124 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)C3CCCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765468 556909847 /nfs/dbraw/zinc/90/98/47/556909847.db2.gz FTPHIRJSDJKLAS-FQEVSTJZSA-N 0 0 438.547 4.140 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)nc1C ZINC000019765523 556910218 /nfs/dbraw/zinc/91/02/18/556910218.db2.gz JPVHKNWYTUXBBH-IBGZPJMESA-N 0 0 444.963 4.296 40 0 IIABRN CC(C)OCCCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000072337492 556910231 /nfs/dbraw/zinc/91/02/31/556910231.db2.gz ZRYDMAFACFECLX-UHFFFAOYSA-N 0 0 435.547 4.463 40 0 IIABRN Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCCCC3)nc2-c2ccc(C)s2)on1 ZINC000072337624 556910307 /nfs/dbraw/zinc/91/03/07/556910307.db2.gz PEYQTRMLQBQYPH-UHFFFAOYSA-N 0 0 426.542 4.083 40 0 IIABRN Cc1cc2nc(C3CCN(C(=O)c4nc5cc(F)ccc5[nH]4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340858 556912776 /nfs/dbraw/zinc/91/27/76/556912776.db2.gz NSUCLNDFQFEVKU-UHFFFAOYSA-N 0 0 446.408 4.092 40 0 IIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)cc(C(F)(F)F)n2n1 ZINC000072340922 556913067 /nfs/dbraw/zinc/91/30/67/556913067.db2.gz PCXAFUMBOFSARA-MRXNPFEDSA-N 0 0 428.458 4.494 40 0 IIABRN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(I)cc3)cc2)S1 ZINC000409001587 556914592 /nfs/dbraw/zinc/91/45/92/556914592.db2.gz WQEOEVVDCVTDKJ-OQLLNIDSSA-N 0 0 437.258 4.194 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 ZINC000072350035 556919973 /nfs/dbraw/zinc/91/99/73/556919973.db2.gz AMGGMFCLNCUAOA-NRFANRHFSA-N 0 0 439.987 4.290 40 0 IIABRN CCc1ncc(CN2CC[C@H](c3ncc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)C2)cn1 ZINC000072351970 556922862 /nfs/dbraw/zinc/92/28/62/556922862.db2.gz OFDZOHVUGCVZSF-KRWDZBQOSA-N 0 0 436.947 4.033 40 0 IIABRN O=C(CCc1ccccc1)N1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352190 556923337 /nfs/dbraw/zinc/92/33/37/556923337.db2.gz KEUDGQYQZGNTOU-FQEVSTJZSA-N 0 0 448.588 4.322 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000019820451 556923863 /nfs/dbraw/zinc/92/38/63/556923863.db2.gz WFZWKEOJEXUSCK-RPWUZVMVSA-N 0 0 439.515 4.394 40 0 IIABRN Cc1cccc(C2=N/C(=C\c3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3)C(=O)O2)c1 ZINC000409019656 556924054 /nfs/dbraw/zinc/92/40/54/556924054.db2.gz KCFDIOGKNFYELR-STZFKDTASA-N 0 0 437.448 4.246 40 0 IIABRN CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)N(C)C1=S ZINC000409029369 556925199 /nfs/dbraw/zinc/92/51/99/556925199.db2.gz ACLGSFCTBBVYGS-YBEGLDIGSA-N 0 0 435.318 4.197 40 0 IIABRN O=C(Cc1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353121 556925513 /nfs/dbraw/zinc/92/55/13/556925513.db2.gz LOOSAIUPIAAYNS-NRFANRHFSA-N 0 0 448.498 4.427 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)cc1C ZINC000072353160 556925709 /nfs/dbraw/zinc/92/57/09/556925709.db2.gz LPXMWOXLLVHTEH-HXUWFJFHSA-N 0 0 442.516 4.202 40 0 IIABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F ZINC000409026482 556926225 /nfs/dbraw/zinc/92/62/25/556926225.db2.gz QJPBHGPEQQQZSD-UHFFFAOYSA-N 0 0 436.867 4.452 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc2)n1 ZINC000072353273 556926295 /nfs/dbraw/zinc/92/62/95/556926295.db2.gz MSBQCORBBOECAM-SFHVURJKSA-N 0 0 434.519 4.189 40 0 IIABRN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000072353396 556926568 /nfs/dbraw/zinc/92/65/68/556926568.db2.gz OWDIYFSHXCBLEF-IBGZPJMESA-N 0 0 426.524 4.435 40 0 IIABRN COc1ccccc1S(=O)(=O)N1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353469 556926787 /nfs/dbraw/zinc/92/67/87/556926787.db2.gz IJPWGMVOSJXIDC-SFHVURJKSA-N 0 0 438.553 4.106 40 0 IIABRN CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Cl)c1OCc1ccccc1F ZINC000409045975 556930531 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557241358 /nfs/dbraw/zinc/24/13/58/557241358.db2.gz PYIQIXSZBNHJSX-UHFFFAOYSA-N 0 0 432.505 4.093 40 0 IIABRN COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000260591863 557242180 /nfs/dbraw/zinc/24/21/80/557242180.db2.gz MMAMHMLCNMJMGY-UYAOXDASSA-N 0 0 432.586 4.062 40 0 IIABRN Cc1nc2ccc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5cnccn5)o4)CC3)cc2s1 ZINC000100156130 557244425 /nfs/dbraw/zinc/24/44/25/557244425.db2.gz YTFQFKXOAKTZCV-GASCZTMLSA-N 0 0 434.525 4.149 40 0 IIABRN Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)c1 ZINC000100159027 557245255 /nfs/dbraw/zinc/24/52/55/557245255.db2.gz LIJPGZGDTXJKBK-WOVMCDHWSA-N 0 0 431.462 4.084 40 0 IIABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000219459890 557251182 /nfs/dbraw/zinc/25/11/82/557251182.db2.gz PIRNJJQJEMDLBW-UHFFFAOYSA-N 0 0 427.504 4.455 40 0 IIABRN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCc1ccc(F)cc1 ZINC000219479768 557252958 /nfs/dbraw/zinc/25/29/58/557252958.db2.gz 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439.512 4.187 40 0 IIABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101168023 557416173 /nfs/dbraw/zinc/41/61/73/557416173.db2.gz AWTVSNZKEXJBJA-SGNDLWITSA-N 0 0 428.488 4.445 40 0 IIABRN COc1cccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223026212 557417009 /nfs/dbraw/zinc/41/70/09/557417009.db2.gz HEWKXARGJFPSEA-GOSISDBHSA-N 0 0 428.598 4.260 40 0 IIABRN COc1cccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223024963 557417031 /nfs/dbraw/zinc/41/70/31/557417031.db2.gz JQYKTDIQEWFZND-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014006983 557418093 /nfs/dbraw/zinc/41/80/93/557418093.db2.gz JEYMVOGNFVVHEJ-MRXNPFEDSA-N 0 0 436.961 4.311 40 0 IIABRN Cc1ccc(Cn2c3nn(Cc4ccc(F)cc4Cl)c(=O)n3c3ccccc3c2=O)cc1 ZINC000064860723 557418572 /nfs/dbraw/zinc/41/85/72/557418572.db2.gz BTSGCGLKHFQWLP-UHFFFAOYSA-N 0 0 448.885 4.008 40 0 IIABRN 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Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015350832 557461257 /nfs/dbraw/zinc/46/12/57/557461257.db2.gz ZWVSXLSKHPSCGZ-UHFFFAOYSA-N 0 0 437.359 4.184 40 0 IIABRN CCn1c2cc(C)c(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)cc2oc1=O ZINC000223356058 557461880 /nfs/dbraw/zinc/46/18/80/557461880.db2.gz JPLIJXHAUSNPEY-UHFFFAOYSA-N 0 0 438.505 4.303 40 0 IIABRN CCn1c2ccccc2nc1SCC(=O)Nc1ccccc1I ZINC000015418626 557462448 /nfs/dbraw/zinc/46/24/48/557462448.db2.gz GNJHSYZENAZXET-UHFFFAOYSA-N 0 0 437.306 4.392 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000028207698 557464077 /nfs/dbraw/zinc/46/40/77/557464077.db2.gz VMMFFHLLKLKLEP-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000028207701 557464104 /nfs/dbraw/zinc/46/41/04/557464104.db2.gz JPLKDFRZMXHQLM-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN Cc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c2ccccc2)cc1 ZINC000223405050 557467392 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CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223454374 557473899 /nfs/dbraw/zinc/47/38/99/557473899.db2.gz AKYIRKYXPYBJSQ-NRFANRHFSA-N 0 0 440.584 4.496 40 0 IIABRN CSc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000016732042 557475568 /nfs/dbraw/zinc/47/55/68/557475568.db2.gz TZDBEOMQHZLIMI-HDMKZQKVSA-N 0 0 444.862 4.166 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000016959441 557475932 /nfs/dbraw/zinc/47/59/32/557475932.db2.gz ZBADOILSGASCTF-UHFFFAOYSA-N 0 0 427.353 4.349 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000223472390 557476003 /nfs/dbraw/zinc/47/60/03/557476003.db2.gz BDWXDBHIHBYPHF-UHFFFAOYSA-N 0 0 438.549 4.284 40 0 IIABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccccc1Br ZINC000017097787 557479947 /nfs/dbraw/zinc/47/99/47/557479947.db2.gz XNJKZNWMWGZHSM-UHFFFAOYSA-N 0 0 432.112 4.478 40 0 IIABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1cccc(Br)c1 ZINC000017097788 557480020 /nfs/dbraw/zinc/48/00/20/557480020.db2.gz OPEUALFBGQUPEQ-UHFFFAOYSA-N 0 0 432.112 4.478 40 0 IIABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000017098483 557481226 /nfs/dbraw/zinc/48/12/26/557481226.db2.gz ONKRQMIRXIJEFR-UHFFFAOYSA-N 0 0 433.533 4.393 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccccn1 ZINC000223522240 557481963 /nfs/dbraw/zinc/48/19/63/557481963.db2.gz SEGLYVYLLIDAGD-IAGOWNOFSA-N 0 0 431.384 4.473 40 0 IIABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1 ZINC000017099733 557483512 /nfs/dbraw/zinc/48/35/12/557483512.db2.gz RZQRLXAYTRVSSD-UHFFFAOYSA-N 0 0 435.892 4.267 40 0 IIABRN CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC ZINC000223544672 557483779 /nfs/dbraw/zinc/48/37/79/557483779.db2.gz HNQGRCVOARROCE-FQEVSTJZSA-N 0 0 431.374 4.325 40 0 IIABRN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccc2c(Cl)cccc12 ZINC000017094678 557484848 /nfs/dbraw/zinc/48/48/48/557484848.db2.gz TTYZPNKZCQYPAO-UHFFFAOYSA-N 0 0 425.941 4.457 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 ZINC000223556148 557485373 /nfs/dbraw/zinc/48/53/73/557485373.db2.gz GQYWWYKFQPDMCJ-DEOSSOPVSA-N 0 0 431.536 4.133 40 0 IIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000017095222 557485674 /nfs/dbraw/zinc/48/56/74/557485674.db2.gz NXTLENXKPYNYDN-UHFFFAOYSA-N 0 0 426.973 4.337 40 0 IIABRN OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000223569730 557487409 /nfs/dbraw/zinc/48/74/09/557487409.db2.gz DZSPISJTDOBOSX-RBUKOAKNSA-N 0 0 433.364 4.144 40 0 IIABRN CCCCC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000017096097 557487959 /nfs/dbraw/zinc/48/79/59/557487959.db2.gz NLGODEKUJIGHQZ-UHFFFAOYSA-N 0 0 428.577 4.151 40 0 IIABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 ZINC000017096424 557488771 /nfs/dbraw/zinc/48/87/71/557488771.db2.gz YDGTVUYOGJGMHU-UHFFFAOYSA-N 0 0 429.439 4.225 40 0 IIABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)c(C)c3)nn12 ZINC000017100590 557489109 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4.024 40 0 IIABRN O=C(c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1Br ZINC000059502221 557826673 /nfs/dbraw/zinc/82/66/73/557826673.db2.gz CUSFVTWXLFKNOM-UHFFFAOYSA-N 0 0 435.277 4.350 40 0 IIABRN CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NCc3ccco3)n2)CC1 ZINC000260718121 557850633 /nfs/dbraw/zinc/85/06/33/557850633.db2.gz RJGMOYXQZCKHKX-QGZVFWFLSA-N 0 0 428.606 4.171 40 0 IIABRN Cc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCC[C@H](C)C3)n2)cc1 ZINC000260720831 557850795 /nfs/dbraw/zinc/85/07/95/557850795.db2.gz UQXCZQNPZGUDJM-IBGZPJMESA-N 0 0 438.645 4.498 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 ZINC000260746503 557852314 /nfs/dbraw/zinc/85/23/14/557852314.db2.gz YETKUWZVQDYVBY-LPHOPBHVSA-N 0 0 448.560 4.179 40 0 IIABRN COc1ccc(N(CCCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000260793326 557856136 /nfs/dbraw/zinc/85/61/36/557856136.db2.gz ILWJJJDYEYBTOU-LJQANCHMSA-N 0 0 446.613 4.114 40 0 IIABRN Cc1ccccc1N(CCCC(=O)N[C@H](C)CC(C)(C)c1ccccc1)S(C)(=O)=O ZINC000260793475 557856258 /nfs/dbraw/zinc/85/62/58/557856258.db2.gz JZALUGPNLWBICQ-HXUWFJFHSA-N 0 0 430.614 4.414 40 0 IIABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1 ZINC000260800772 557857745 /nfs/dbraw/zinc/85/77/45/557857745.db2.gz WUIMFKVDGBOILW-YADHBBJMSA-N 0 0 432.586 4.124 40 0 IIABRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(Cl)cc3)C2)c1 ZINC000260828427 557858666 /nfs/dbraw/zinc/85/86/66/557858666.db2.gz PFXGKSGFRSTULU-HKUYNNGSSA-N 0 0 434.989 4.235 40 0 IIABRN O=C(NC1CCCCC1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707307 560096764 /nfs/dbraw/zinc/09/67/64/560096764.db2.gz STCZGTJDNYXCIH-SFHVURJKSA-N 0 0 444.898 4.394 40 0 biogenic,in-vitro IIABRN CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC[C@H](O)CCc1ccccc1 ZINC000003873072 560190978 /nfs/dbraw/zinc/19/09/78/560190978.db2.gz GGXICVAJURFBLW-RLJZHRFHSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl ZINC000222539546 568626492 /nfs/dbraw/zinc/62/64/92/568626492.db2.gz WQJWTROWMXMZPN-QHCPKHFHSA-N 0 0 438.930 4.408 40 0 IIABRN O=C(c1cccc(Cn2cncn2)c1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257201968 568666032 /nfs/dbraw/zinc/66/60/32/568666032.db2.gz AJWOVMMKXHUZPA-JOCHJYFZSA-N 0 0 444.926 4.414 40 0 IIABRN CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000257204083 568666989 /nfs/dbraw/zinc/66/69/89/568666989.db2.gz ASZIVVRMCTVDHT-NRFANRHFSA-N 0 0 431.580 4.344 40 0 IIABRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)c5c(c4)OCCCO5)OCC[C@@]31C2 ZINC000257204170 568667118 /nfs/dbraw/zinc/66/71/18/568667118.db2.gz ATIIIXQZFHUUBK-GNDSSKFZSA-N 0 0 429.557 4.265 40 0 IIABRN Cc1cc(Nc2ccnc(C[C@@H]3CCCN(C(=O)c4cccc(Cl)c4F)C3)n2)n[nH]1 ZINC000257203732 568667149 /nfs/dbraw/zinc/66/71/49/568667149.db2.gz ARKMUBXHCWFQPL-AWEZNQCLSA-N 0 0 428.899 4.139 40 0 IIABRN O=C(c1ccc2ncccc2c1)N1CCNC(=O)[C@@H]1Cc1ccc(-c2cccs2)cc1 ZINC000257211762 568670783 /nfs/dbraw/zinc/67/07/83/568670783.db2.gz CAHHLKOPARAGGF-QFIPXVFZSA-N 0 0 427.529 4.147 40 0 IIABRN O=C(c1cccc(Nc2ncccn2)c1)N1CCOC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257214529 568671679 /nfs/dbraw/zinc/67/16/79/568671679.db2.gz CMIQZAOGPCBEKE-HXUWFJFHSA-N 0 0 439.519 4.100 40 0 IIABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257217362 568673109 /nfs/dbraw/zinc/67/31/09/568673109.db2.gz CYPWQLFXANKKQU-JOCHJYFZSA-N 0 0 444.926 4.279 40 0 IIABRN O=C(Cc1c[nH]c2ccccc12)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257221413 568674882 /nfs/dbraw/zinc/67/48/82/568674882.db2.gz DOYLQPHGKDSCSJ-RUZDIDTESA-N 0 0 429.495 4.435 40 0 IIABRN C[C@]1(O)CCN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257224031 568676073 /nfs/dbraw/zinc/67/60/73/568676073.db2.gz FAAFBHJLSKDJQK-ICSRJNTNSA-N 0 0 442.865 4.202 40 0 IIABRN CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)c4cccc5ncccc54)CCO3)n2)s1 ZINC000257226630 568677382 /nfs/dbraw/zinc/67/73/82/568677382.db2.gz FLLGUTXMBPXISY-IBGZPJMESA-N 0 0 446.536 4.001 40 0 IIABRN CNC(=O)[C@]1(c2cccc(C)n2)CCCN1Cc1ccccc1OCc1cccc(F)c1 ZINC000257226583 568677398 /nfs/dbraw/zinc/67/73/98/568677398.db2.gz FLGLRHLTVUWTSZ-AREMUKBSSA-N 0 0 433.527 4.345 40 0 IIABRN CCCOc1ccccc1-c1ccc(C(=O)N(CCO)CCO)c(CCc2ccccc2)c1 ZINC000257230081 568678783 /nfs/dbraw/zinc/67/87/83/568678783.db2.gz GASWQZJWDODZNN-UHFFFAOYSA-N 0 0 447.575 4.354 40 0 IIABRN COc1ccccc1[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1C(C)=O ZINC000257233144 568680699 /nfs/dbraw/zinc/68/06/99/568680699.db2.gz GNZFNPIBISPKQP-XMMPIXPASA-N 0 0 428.532 4.259 40 0 IIABRN Cc1nc2cc([C@@H]3CCCN3Cc3cccc(F)c3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257235201 568681598 /nfs/dbraw/zinc/68/15/98/568681598.db2.gz GWWLFPHHLNSKGD-DEOSSOPVSA-N 0 0 449.574 4.281 40 0 IIABRN CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2c(C)noc2C)nc(C2CC2)n1 ZINC000257235256 568681618 /nfs/dbraw/zinc/68/16/18/568681618.db2.gz GXBVHJZJPPUMRQ-NRFANRHFSA-N 0 0 444.539 4.125 40 0 IIABRN CN(CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1ccccc1F ZINC000257235490 568681888 /nfs/dbraw/zinc/68/18/88/568681888.db2.gz GYBXGQSKECPAAT-FQEVSTJZSA-N 0 0 439.506 4.382 40 0 IIABRN COc1cccc(O[C@H]2CCN(C(=O)C(C)(C)Oc3ccc(Cl)c(C)c3)CC[C@@H]2O)c1 ZINC000257238350 568683157 /nfs/dbraw/zinc/68/31/57/568683157.db2.gz HKOLHDQAVMENON-VXKWHMMOSA-N 0 0 447.959 4.245 40 0 IIABRN Cn1nc([C@@H]2CN(Cc3ccccn3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257244365 568685813 /nfs/dbraw/zinc/68/58/13/568685813.db2.gz IKZILKNLBHFUOJ-QFIPXVFZSA-N 0 0 446.473 4.029 40 0 IIABRN CN(C)C(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccn2)CC1 ZINC000257247824 568687555 /nfs/dbraw/zinc/68/75/55/568687555.db2.gz JARRXOPNTGYHAH-UHFFFAOYSA-N 0 0 433.577 4.363 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(Cc5ccccc5)cc(C)n4)C3)c2c1 ZINC000257252538 568689679 /nfs/dbraw/zinc/68/96/79/568689679.db2.gz JVDIRXVEVDLNCQ-DEOSSOPVSA-N 0 0 426.520 4.379 40 0 IIABRN COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3cccc(Nc4cccc(C)n4)n3)C1)CO2 ZINC000257254926 568690639 /nfs/dbraw/zinc/69/06/39/568690639.db2.gz KFGVVTJCPGIASW-XMMPIXPASA-N 0 0 444.535 4.387 40 0 IIABRN COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5ccnc5C)cc4)OCC[C@]13C2 ZINC000257256328 568691571 /nfs/dbraw/zinc/69/15/71/568691571.db2.gz KKZMBUKOMFMCES-NMHPENHOSA-N 0 0 437.584 4.216 40 0 IIABRN Cc1cc(OC[C@]2(CC(N)=O)CCCN(C(=O)c3ccccc3Cl)C2)ccc1Cl ZINC000257261242 568693840 /nfs/dbraw/zinc/69/38/40/568693840.db2.gz LGHVQEKAOCMZSI-QFIPXVFZSA-N 0 0 435.351 4.479 40 0 IIABRN Cn1nc([C@H]2CN(CCc3ccccc3)CCO2)cc1CCOc1cccc(Cl)c1 ZINC000257266898 568696023 /nfs/dbraw/zinc/69/60/23/568696023.db2.gz MFBMGTJOGRQTMW-XMMPIXPASA-N 0 0 425.960 4.311 40 0 IIABRN Cc1ncsc1-c1cc(C(=O)N2CCC[C@@]3(C[C@@H](Oc4ccccc4)CO3)C2)ccn1 ZINC000257270654 568697687 /nfs/dbraw/zinc/69/76/87/568697687.db2.gz MVCWPANMUYUGPD-HYBUGGRVSA-N 0 0 435.549 4.356 40 0 IIABRN CCn1ncc(CN2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)c1C ZINC000257272173 568698393 /nfs/dbraw/zinc/69/83/93/568698393.db2.gz NBHSPVGLJZSKIR-RUZDIDTESA-N 0 0 437.588 4.253 40 0 IIABRN CCn1cc(CN2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)c2ccc(F)cc21 ZINC000257274805 568699661 /nfs/dbraw/zinc/69/96/61/568699661.db2.gz NMSHLQUNHJGTHL-QFIPXVFZSA-N 0 0 432.503 4.302 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@H](Cc2cccc3cccnc32)C1 ZINC000257275164 568700053 /nfs/dbraw/zinc/70/00/53/568700053.db2.gz NOEDWGICGLAVCD-LJQANCHMSA-N 0 0 440.503 4.148 40 0 IIABRN O=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCC[C@@H](c2cncc(-c3ncc[nH]3)n2)C1 ZINC000257282823 568703726 /nfs/dbraw/zinc/70/37/26/568703726.db2.gz OVKXMBVGRDPARD-LJQANCHMSA-N 0 0 442.498 4.011 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCOC[C@@H](Cc4cnc5ccccc5c4)C3)CCOCC2)cc1 ZINC000257285886 568704804 /nfs/dbraw/zinc/70/48/04/568704804.db2.gz PJIGVNVGCSBXHX-QHCPKHFHSA-N 0 0 444.575 4.309 40 0 IIABRN Cc1cnc(NC(=O)CN2CCO[C@@H](c3cc(Cc4ccc(C)cc4)cc(C)n3)C2)s1 ZINC000257286399 568704985 /nfs/dbraw/zinc/70/49/85/568704985.db2.gz PLLPNSATCMGQLP-JOCHJYFZSA-N 0 0 436.581 4.066 40 0 IIABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000257289255 568706537 /nfs/dbraw/zinc/70/65/37/568706537.db2.gz PXTVWRVIEAOINV-NRFANRHFSA-N 0 0 430.899 4.355 40 0 IIABRN CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)c4ccnn4C(C)C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257290988 568707425 /nfs/dbraw/zinc/70/74/25/568707425.db2.gz QFCZQJUXWDQNCD-TYUWDEHNSA-N 0 0 434.584 4.079 40 0 IIABRN Cc1ncoc1C(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)CC1 ZINC000257292497 568707837 /nfs/dbraw/zinc/70/78/37/568707837.db2.gz QLUBOCLADZRBFM-UHFFFAOYSA-N 0 0 446.551 4.035 40 0 IIABRN CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccc(F)cc3)c2)ccn1 ZINC000257299237 568710741 /nfs/dbraw/zinc/71/07/41/568710741.db2.gz RPFASUBYDCYEQW-VWLOTQADSA-N 0 0 447.510 4.413 40 0 IIABRN CCOc1ccc(CCCC(=O)N2CC[C@@H](c3ncncc3-c3ccnc(N)c3)C2)cc1C ZINC000257304021 568713075 /nfs/dbraw/zinc/71/30/75/568713075.db2.gz SJSWBXABTDYWCY-OAQYLSRUSA-N 0 0 445.567 4.167 40 0 IIABRN Cc1cccc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4n[nH]c5c4CCCCC5)CCO3)c2)n1 ZINC000257305911 568713863 /nfs/dbraw/zinc/71/38/63/568713863.db2.gz 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/nfs/dbraw/zinc/25/44/53/569254453.db2.gz UGHJWFREYJVJPA-UHFFFAOYSA-N 0 0 439.693 4.003 40 0 IIABRN COC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2)C1=O ZINC000205696373 569255550 /nfs/dbraw/zinc/25/55/50/569255550.db2.gz KHWYCPFNASFZNN-LICLKQGHSA-N 0 0 447.896 4.137 40 0 IIABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O ZINC000205785560 569255722 /nfs/dbraw/zinc/25/57/22/569255722.db2.gz MPIMRKFCARTOPP-XSFVSMFZSA-N 0 0 441.505 4.132 40 0 IIABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)ccc3O)C2=O)cc1 ZINC000210816593 569255806 /nfs/dbraw/zinc/25/58/06/569255806.db2.gz JKZWPHKFCMFSBC-LICLKQGHSA-N 0 0 432.885 4.119 40 0 IIABRN NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000214847628 569256255 /nfs/dbraw/zinc/25/62/55/569256255.db2.gz WPVSMGJJOGAREW-LZYBPNLTSA-N 0 0 437.304 4.094 40 0 IIABRN COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1cccc(Br)c1 ZINC000409416224 569287627 /nfs/dbraw/zinc/28/76/27/569287627.db2.gz JDOLZLNPPJFEJI-WAYWQWQTSA-N 0 0 441.119 4.298 40 0 IIABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3cc(Cl)ccc3N1[C@@H]2C(=O)c1cccs1 ZINC000008991945 569292789 /nfs/dbraw/zinc/29/27/89/569292789.db2.gz DHFHICQQFCQDAA-AFYVEPGGSA-N 0 0 440.952 4.270 40 0 IIABRN CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)OC2(C)C ZINC000077312058 569293521 /nfs/dbraw/zinc/29/35/21/569293521.db2.gz JUQNVWFXORBZQJ-UHFFFAOYSA-N 0 0 428.496 4.137 40 0 in-vitro IIABRN Cc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000009185473 569294067 /nfs/dbraw/zinc/29/40/67/569294067.db2.gz OCUDQRFWECVJDI-CIAFKFPVSA-N 0 0 439.519 4.188 40 0 IIABRN COc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(SC)cc4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000011666690 569302888 /nfs/dbraw/zinc/30/28/88/569302888.db2.gz GWDKFFDTNYDZTC-VJBWXMMDSA-N 0 0 446.528 4.468 40 0 IIABRN O=C(CN1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1)Nc1ccc(F)cc1 ZINC000019695963 569326799 /nfs/dbraw/zinc/32/67/99/569326799.db2.gz TVFYMHIPZIJWKC-XMMPIXPASA-N 0 0 435.543 4.081 40 0 IIABRN Cc1nnc2n1C[C@H](c1cccc(C(=O)NCC3(c4ccc(C)cc4)CCOCC3)c1)CC2 ZINC000019698143 569326916 /nfs/dbraw/zinc/32/69/16/569326916.db2.gz JYEIQJFLBUQYJE-HSZRJFAPSA-N 0 0 444.579 4.103 40 0 IIABRN COc1ccc(NC(=O)CN2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000019703719 569327244 /nfs/dbraw/zinc/32/72/44/569327244.db2.gz SUFDGHHWJYEHCO-VWLOTQADSA-N 0 0 449.595 4.175 40 0 IIABRN O=C(c1nccc2ccccc21)N1CCC2(CC1)CC=CCN(CCc1ccccc1)C2=O ZINC000019744763 569328253 /nfs/dbraw/zinc/32/82/53/569328253.db2.gz IEXBIZFSRAQIFN-UHFFFAOYSA-N 0 0 439.559 4.488 40 0 IIABRN COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc32)c(OC)c1 ZINC000028535473 569410983 /nfs/dbraw/zinc/41/09/83/569410983.db2.gz NEZOYAVZPXTXLY-UHFFFAOYSA-N 0 0 433.439 4.321 40 0 IIABRN CCOC(=O)[C@](O)(c1ccc(N(CC)C(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003114677 569440466 /nfs/dbraw/zinc/44/04/66/569440466.db2.gz ZGSJFUBHTRWYRK-LJQANCHMSA-N 0 0 429.822 4.320 40 0 IIABRN COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000008741613 569472956 /nfs/dbraw/zinc/47/29/56/569472956.db2.gz WMUKCJWSARQGPN-BDTNDASRSA-N 0 0 434.879 4.400 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329012612 569583351 /nfs/dbraw/zinc/58/33/51/569583351.db2.gz MLBPOQHNOSFNQM-KRWDZBQOSA-N 0 0 435.425 4.869 40 0 IIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000329060803 569584297 /nfs/dbraw/zinc/58/42/97/569584297.db2.gz WNXPTGFUKRSYJG-IBGZPJMESA-N 0 0 431.462 5.038 40 0 IIABRN CC(C)=CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@H]1OC(=O)CC(C)C ZINC000038940043 291378901 /nfs/dbraw/zinc/37/89/01/291378901.db2.gz MYXNOIIPXWBFFR-GOTSBHOMSA-N 0 0 428.481 4.472 40 0 biogenic,in-vitro IIABRN C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)COc4ccccc4)nc3[C@@H](C)[C@H]21 ZINC000003839915 291384429 /nfs/dbraw/zinc/38/44/29/291384429.db2.gz HCTMQPXXQRGVFJ-ODSKQDKFSA-N 0 0 440.565 4.414 40 0 biogenic,in-vitro IIABRN COc1ccc(C(=O)O[C@H]2CC(C)=C[C@H](OC(C)=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000031157398 291383364 /nfs/dbraw/zinc/38/33/64/291383364.db2.gz OXKMNBITZDQOOE-YLWPMPOJSA-N 0 0 430.541 4.306 40 0 biogenic,in-vitro IIABRN COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4cccnc4)C=C3C)[nH]c2n1 ZINC000072320895 291383633 /nfs/dbraw/zinc/38/36/33/291383633.db2.gz XLFBTLCRYITLGV-UFYCRDLUSA-N 0 0 433.556 4.189 40 0 biogenic,in-vitro IIABRN COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(C3CCCC3)nn2C)cc1 ZINC000008635912 291383655 /nfs/dbraw/zinc/38/36/55/291383655.db2.gz IQNXPXKOLWRBLF-DWLFOUALSA-N 0 0 437.588 4.086 40 0 biogenic,in-vitro IIABRN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(OC(F)(F)F)cc3)c12 ZINC000004237435 291386164 /nfs/dbraw/zinc/38/61/64/291386164.db2.gz LLTZDMABILMBJU-GOEBONIOSA-N 0 0 444.409 4.266 40 0 biogenic,in-vitro IIABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21)N1CCCC1 ZINC000096242097 193940841 /nfs/dbraw/zinc/94/08/41/193940841.db2.gz FIKYHSGBPSFEKE-HXUWFJFHSA-N 0 0 446.547 4.089 40 0 IIABRN CCc1ccc(OCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c(Br)c1 ZINC000096257926 193945195 /nfs/dbraw/zinc/94/51/95/193945195.db2.gz KVFYBYTWAYIBJY-UHFFFAOYSA-N 0 0 444.329 4.407 40 0 IIABRN COc1ccc(CN2C[C@@]3(CO[C@@H](C(=O)NCc4cccs4)C3)c3ccccc32)cc1 ZINC000096262885 193946807 /nfs/dbraw/zinc/94/68/07/193946807.db2.gz GTQOMQVUMBTSOV-NOZRDPDXSA-N 0 0 434.561 4.120 40 0 IIABRN COc1ccc2cc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2c1 ZINC000223250067 193957254 /nfs/dbraw/zinc/95/72/54/193957254.db2.gz BQMMRCIAXSZHIG-UHFFFAOYSA-N 0 0 430.957 4.321 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1Cl ZINC000408607071 193975542 /nfs/dbraw/zinc/97/55/42/193975542.db2.gz PXUPZHGNAQEJNM-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000223340735 193968541 /nfs/dbraw/zinc/96/85/41/193968541.db2.gz QBFNWNMFDLTZPB-VWLOTQADSA-N 0 0 430.504 4.212 40 0 IIABRN COc1ccccc1N(CCCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1)S(C)(=O)=O ZINC000223352161 193969968 /nfs/dbraw/zinc/96/99/68/193969968.db2.gz DJIJEJFQUQCUQZ-IBGZPJMESA-N 0 0 446.613 4.114 40 0 IIABRN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(C)c(Br)c1 ZINC000408602104 193971868 /nfs/dbraw/zinc/97/18/68/193971868.db2.gz AKCMLAJGACAWJD-GOSISDBHSA-N 0 0 431.355 4.251 40 0 IIABRN CCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408612293 193979023 /nfs/dbraw/zinc/97/90/23/193979023.db2.gz YCKFNCLEAORHAZ-UHFFFAOYSA-N 0 0 447.322 4.187 40 0 IIABRN CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccc(Br)cc12 ZINC000009524467 132320232 /nfs/dbraw/zinc/32/02/32/132320232.db2.gz VBPINBKWMAXGNM-HLIPFELVSA-N 0 0 447.354 4.173 40 0 IIABRN CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccc(Br)cc12 ZINC000009524465 132320249 /nfs/dbraw/zinc/32/02/49/132320249.db2.gz VBPINBKWMAXGNM-QKLQHJQFSA-N 0 0 447.354 4.173 40 0 IIABRN Fc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013503740 132347258 /nfs/dbraw/zinc/34/72/58/132347258.db2.gz WEOLYSVEBGCZEI-QHCPKHFHSA-N 0 0 438.526 4.368 40 0 IIABRN COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013503874 132347441 /nfs/dbraw/zinc/34/74/41/132347441.db2.gz CHLJWKWTTWPIPK-RUZDIDTESA-N 0 0 446.599 4.325 40 0 IIABRN CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000013503971 132347509 /nfs/dbraw/zinc/34/75/09/132347509.db2.gz JJHOJLJQQSYTIY-HXUWFJFHSA-N 0 0 428.943 4.132 40 0 IIABRN COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000013504329 132348031 /nfs/dbraw/zinc/34/80/31/132348031.db2.gz AEKVRTBSTOUZGI-QFIPXVFZSA-N 0 0 440.979 4.136 40 0 IIABRN CCOC(=O)N1CCN(c2ccc(N(C)Cc3cc4cc(C)ccc4[nH]c3=O)c(C)c2)CC1 ZINC000013565500 132350232 /nfs/dbraw/zinc/35/02/32/132350232.db2.gz GQUJVKPLTGEPTO-UHFFFAOYSA-N 0 0 448.567 4.060 40 0 IIABRN COc1ccccc1N1CCN(c2nc(C)c(Cc3ccc(C(C)C)cc3)c(=O)[nH]2)CC1 ZINC000013611440 132351861 /nfs/dbraw/zinc/35/18/61/132351861.db2.gz YNOBZVGQSGVWST-UHFFFAOYSA-N 0 0 432.568 4.128 40 0 IIABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2Oc2ccccc2)Oc2ccccc21 ZINC000013682977 132353338 /nfs/dbraw/zinc/35/33/38/132353338.db2.gz JUUAZKQWOVLALP-JOCHJYFZSA-N 0 0 438.505 4.035 40 0 IIABRN CC(C)(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 ZINC000019081436 518567580 /nfs/dbraw/zinc/56/75/80/518567580.db2.gz BFUMKXZLLGVYRN-XMMPIXPASA-N 0 0 439.575 4.007 40 0 IIABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccc(OC)c2)[C@H](C(=O)OCC)C1=O ZINC000020675804 520182808 /nfs/dbraw/zinc/18/28/08/520182808.db2.gz SZCJSULZZKBPLP-VXKWHMMOSA-N 0 0 435.524 4.350 40 0 IIABRN CCCCN1c2nc3ccccc3n2[C@@H](c2cccc(OCC)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675126 520600513 /nfs/dbraw/zinc/60/05/13/520600513.db2.gz MBJLVZXTTMGKLN-YADHBBJMSA-N 0 0 435.524 4.350 40 0 IIABRN CCCCN1c2nc3ccccc3n2[C@H](c2cccc(OCC)c2)[C@H](C(=O)OCC)C1=O ZINC000020675117 520600609 /nfs/dbraw/zinc/60/06/09/520600609.db2.gz MBJLVZXTTMGKLN-FCHUYYIVSA-N 0 0 435.524 4.350 40 0 IIABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3nn4c(CC)nnc4s3)cc2)c1 ZINC000020609794 520772631 /nfs/dbraw/zinc/77/26/31/520772631.db2.gz WFAKKMBFHZAYDF-UHFFFAOYSA-N 0 0 437.525 4.465 40 0 IIABRN CCOc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1OC ZINC000022522186 520947630 /nfs/dbraw/zinc/94/76/30/520947630.db2.gz VOBDDHMYIKJSEG-INIZCTEOSA-N 0 0 433.570 4.341 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022427769 521217943 /nfs/dbraw/zinc/21/79/43/521217943.db2.gz QBZPDSZDYSPVQF-LJQANCHMSA-N 0 0 438.549 4.158 40 0 IIABRN CCOc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000035290684 521230955 /nfs/dbraw/zinc/23/09/55/521230955.db2.gz BUQAYLARPNHKJI-DEOSSOPVSA-N 0 0 434.588 4.181 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000020487428 521255718 /nfs/dbraw/zinc/25/57/18/521255718.db2.gz QAJVOZYCWLLCJY-IBGZPJMESA-N 0 0 444.597 4.449 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 ZINC000020802806 521278716 /nfs/dbraw/zinc/27/87/16/521278716.db2.gz BZGOGUUNBRCPFP-FGZHOGPDSA-N 0 0 435.524 4.206 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000012867944 521337052 /nfs/dbraw/zinc/33/70/52/521337052.db2.gz CKBAJXSLOCEHGP-HXUWFJFHSA-N 0 0 438.553 4.240 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1cc(C)cc(C)c1 ZINC000012869501 521337068 /nfs/dbraw/zinc/33/70/68/521337068.db2.gz FBPPJDBMBSVSBT-LJQANCHMSA-N 0 0 426.542 4.441 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012872015 521345679 /nfs/dbraw/zinc/34/56/79/521345679.db2.gz VEPXJSIZHKKGAV-FQEVSTJZSA-N 0 0 440.544 4.366 40 0 IIABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1cc(-c2ccccc2O)on1 ZINC000020572832 521384140 /nfs/dbraw/zinc/38/41/40/521384140.db2.gz SIFNQXRDLAILHS-UHFFFAOYSA-N 0 0 428.466 4.439 40 0 IIABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2ccccc2O)n1 ZINC000012482876 521392065 /nfs/dbraw/zinc/39/20/65/521392065.db2.gz UHEQBHBBLCFJMY-GFCCVEGCSA-N 0 0 446.554 4.152 40 0 IIABRN CCOc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1 ZINC000035289151 521445840 /nfs/dbraw/zinc/44/58/40/521445840.db2.gz VGUPJNAAFGXYND-UHFFFAOYSA-N 0 0 431.521 4.459 40 0 IIABRN CCOc1ccccc1C(=O)N(Cc1cccnc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000012644758 521452611 /nfs/dbraw/zinc/45/26/11/521452611.db2.gz GSURINIAWKSSSY-UHFFFAOYSA-N 0 0 443.503 4.173 40 0 IIABRN CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nn12 ZINC000020609703 521575339 /nfs/dbraw/zinc/57/53/39/521575339.db2.gz NYEVIKVWOYHRSK-UHFFFAOYSA-N 0 0 427.917 4.476 40 0 IIABRN CCCn1c2nnc(SCc3ccccc3)n2c2cc(C(=O)NCC(C)C)ccc2c1=O ZINC000032986176 521642038 /nfs/dbraw/zinc/64/20/38/521642038.db2.gz RRFKJJUZPSHUNA-UHFFFAOYSA-N 0 0 449.580 4.132 40 0 IIABRN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000012100382 521661722 /nfs/dbraw/zinc/66/17/22/521661722.db2.gz NSNVBMQZYYFYBV-UHFFFAOYSA-N 0 0 430.614 4.155 40 0 IIABRN CCc1ccccc1-n1c(SCC(=O)NCc2cccs2)nnc1-c1cccnc1 ZINC000035288943 521805595 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COc1ccc(NC(=O)CSc2nc3cccnc3n2-c2ccc(F)cc2)c(OC)c1 ZINC000035289340 524512074 /nfs/dbraw/zinc/51/20/74/524512074.db2.gz VNIJFAKITQLXFV-UHFFFAOYSA-N 0 0 438.484 4.308 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000022399977 524530683 /nfs/dbraw/zinc/53/06/83/524530683.db2.gz SGWSTGAZJUAQHK-KRWDZBQOSA-N 0 0 446.569 4.220 40 0 IIABRN Cc1cc(C)n(CCn2ncc3c4sc(C)cc4n(Cc4ccc(F)cc4)c3c2=O)n1 ZINC000012156935 524532173 /nfs/dbraw/zinc/53/21/73/524532173.db2.gz SMMZYVPANJEVCX-UHFFFAOYSA-N 0 0 435.528 4.422 40 0 IIABRN COc1ccc(NC(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1 ZINC000012710803 524541053 /nfs/dbraw/zinc/54/10/53/524541053.db2.gz HPOZYCGDNWZHNX-UHFFFAOYSA-N 0 0 435.480 4.242 40 0 IIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1C ZINC000020453350 524774056 /nfs/dbraw/zinc/77/40/56/524774056.db2.gz CPNUNNUORUZKKT-IBGZPJMESA-N 0 0 430.570 4.274 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2F)cc1 ZINC000012868606 524878168 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445.498 4.171 40 0 IIABRN Cc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccccc3F)cc2c1 ZINC000035288859 526095594 /nfs/dbraw/zinc/09/55/94/526095594.db2.gz MAWSQGSKXTYTCV-UHFFFAOYSA-N 0 0 428.529 4.499 40 0 IIABRN CSc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 ZINC000022389321 526113348 /nfs/dbraw/zinc/11/33/48/526113348.db2.gz ASWIRGZAEAIARI-UHFFFAOYSA-N 0 0 436.555 4.443 40 0 IIABRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015541118 526220181 /nfs/dbraw/zinc/22/01/81/526220181.db2.gz YFSGXGJOIGSGNN-UHFFFAOYSA-N 0 0 426.460 4.441 40 0 IIABRN Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000012717173 526234200 /nfs/dbraw/zinc/23/42/00/526234200.db2.gz GFAAQLFYJTXASE-OSPHWJPCSA-N 0 0 442.567 4.001 40 0 IIABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000035289670 526736149 /nfs/dbraw/zinc/73/61/49/526736149.db2.gz OENQUDLIUKDFBL-DEOSSOPVSA-N 0 0 425.488 4.375 40 0 IIABRN O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181106 526767800 /nfs/dbraw/zinc/76/78/00/526767800.db2.gz ABSJKYSKKVPKBC-VKGMXUHCSA-N 0 0 442.556 4.307 40 0 IIABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)N4CCCC[C@@H]4C)C3)c(=O)c2c1C ZINC000012184125 526888291 /nfs/dbraw/zinc/88/82/91/526888291.db2.gz BFECAFCITBSWLX-LPHOPBHVSA-N 0 0 444.645 4.236 40 0 IIABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000020492762 527040490 /nfs/dbraw/zinc/04/04/90/527040490.db2.gz RVEGXFDPAHDTJG-QFIPXVFZSA-N 0 0 447.000 4.076 40 0 IIABRN O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1ccccc1Cl ZINC000012882229 527062715 /nfs/dbraw/zinc/06/27/15/527062715.db2.gz PYQCPRUGMPVBFT-UHFFFAOYSA-N 0 0 428.945 4.043 40 0 IIABRN O=C(CSc1nc2ccccc2n1Cc1ccccc1F)N1CC(=O)Nc2ccccc21 ZINC000035289687 527063586 /nfs/dbraw/zinc/06/35/86/527063586.db2.gz LMHFGAVRBJHTCH-UHFFFAOYSA-N 0 0 446.507 4.301 40 0 IIABRN O=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015005107 527126119 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4.268 40 0 IIABRN O=C(CSc1nnc(CNc2ccc(F)cc2)o1)Nc1ccc(Br)cc1 ZINC000009059117 555508067 /nfs/dbraw/zinc/50/80/67/555508067.db2.gz PVMZMWMEYYHBBF-UHFFFAOYSA-N 0 0 437.294 4.314 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccc(C)c(Cl)c2)cc1 ZINC000000656683 555525118 /nfs/dbraw/zinc/52/51/18/555525118.db2.gz XHGSJLJDQGWHLM-NJNPRVFISA-N 0 0 447.000 4.457 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C ZINC000000929954 555585300 /nfs/dbraw/zinc/58/53/00/555585300.db2.gz XVIZYNKOAUUIRB-UHFFFAOYSA-N 0 0 440.960 4.169 40 0 IIABRN COc1ccccc1-n1c(S[C@H](C)C(=O)NCc2ccccc2)nnc1-c1cccnc1 ZINC000000933445 555585588 /nfs/dbraw/zinc/58/55/88/555585588.db2.gz LJGAHBYGJSWZGS-QGZVFWFLSA-N 0 0 445.548 4.135 40 0 IIABRN COc1ccc([C@@H]2S/C(=C\c3cccc(O)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000001633767 555707400 /nfs/dbraw/zinc/70/74/00/555707400.db2.gz KKTNGNNGKIPZHV-GMPUOFRTSA-N 0 0 446.528 4.290 40 0 IIABRN O=C(Nc1cccc2nsnc21)c1ccc(C(=O)Nc2cccc3nsnc32)cc1 ZINC000001702754 555710230 /nfs/dbraw/zinc/71/02/30/555710230.db2.gz BSGNENVJWQNDML-UHFFFAOYSA-N 0 0 432.490 4.201 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC(C)C)c1ccc(Cl)cc1 ZINC000408531055 555729257 /nfs/dbraw/zinc/72/92/57/555729257.db2.gz NTYGLJXSBVZLQY-UHFFFAOYSA-N 0 0 438.977 4.015 40 0 IIABRN CCCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000002101796 555742581 /nfs/dbraw/zinc/74/25/81/555742581.db2.gz LKTAAXAVMICVEO-URZJWIJPSA-N 0 0 430.526 4.167 40 0 IIABRN O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408535759 555765027 /nfs/dbraw/zinc/76/50/27/555765027.db2.gz WGQGXEXCFNDUIG-LBPRGKRZSA-N 0 0 431.316 4.172 40 0 IIABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000002955077 555866747 /nfs/dbraw/zinc/86/67/47/555866747.db2.gz FQJRLSFASSJCKT-DEDYPNTBSA-N 0 0 439.876 4.452 40 0 IIABRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408554547 555884545 /nfs/dbraw/zinc/88/45/45/555884545.db2.gz BWLHGGSIFHVSFJ-UHFFFAOYSA-N 0 0 444.484 4.286 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1NC(=O)c1ccc(C)cc1 ZINC000408555591 555891680 /nfs/dbraw/zinc/89/16/80/555891680.db2.gz BDUOPNPTDWITAQ-UHFFFAOYSA-N 0 0 432.448 4.335 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3C)C2)cc1 ZINC000408555787 555892662 /nfs/dbraw/zinc/89/26/62/555892662.db2.gz GGZHCTVJAMJXGT-MRXNPFEDSA-N 0 0 436.961 4.087 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(=O)c1ccc(C)cc1 ZINC000408556009 555893300 /nfs/dbraw/zinc/89/33/00/555893300.db2.gz BTWQLJRIGGHZBW-UHFFFAOYSA-N 0 0 432.448 4.335 40 0 IIABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000408556836 555894320 /nfs/dbraw/zinc/89/43/20/555894320.db2.gz DSIOVWLLKYEVEE-UHFFFAOYSA-N 0 0 429.369 4.211 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1C ZINC000408558224 555897166 /nfs/dbraw/zinc/89/71/66/555897166.db2.gz PWLCVCBRRLEKTL-LJQANCHMSA-N 0 0 430.570 4.050 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408559573 555899265 /nfs/dbraw/zinc/89/92/65/555899265.db2.gz MPCOESDDAZIRCP-KRWDZBQOSA-N 0 0 440.521 4.101 40 0 IIABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000408562969 555906719 /nfs/dbraw/zinc/90/67/19/555906719.db2.gz HDRWFFLUWSUHKY-CQSZACIVSA-N 0 0 436.936 4.260 40 0 IIABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1N1CCOCC1 ZINC000408571390 555915004 /nfs/dbraw/zinc/91/50/04/555915004.db2.gz AOPHTGSYNAVDFY-ACCUITESSA-N 0 0 433.533 4.310 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000408584061 555932009 /nfs/dbraw/zinc/93/20/09/555932009.db2.gz LJLMKKAWYVLYAR-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC1CCCCCCC1 ZINC000408584841 555935351 /nfs/dbraw/zinc/93/53/51/555935351.db2.gz VUVXVHVSTZNNJO-UHFFFAOYSA-N 0 0 436.618 4.214 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408584355 555936842 /nfs/dbraw/zinc/93/68/42/555936842.db2.gz OQCXWVRYYJXEIA-SFHVURJKSA-N 0 0 438.549 4.247 40 0 IIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408584532 555937289 /nfs/dbraw/zinc/93/72/89/555937289.db2.gz QYHWLLQABFZSDD-UHFFFAOYSA-N 0 0 445.541 4.072 40 0 IIABRN CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 ZINC000408587498 555937915 /nfs/dbraw/zinc/93/79/15/555937915.db2.gz DBAOJXNBQNGIHH-UHFFFAOYSA-N 0 0 440.521 4.076 40 0 IIABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408586474 555939156 /nfs/dbraw/zinc/93/91/56/555939156.db2.gz AITXRVDYVWOLSN-UHFFFAOYSA-N 0 0 448.894 4.268 40 0 IIABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408590136 555947438 /nfs/dbraw/zinc/94/74/38/555947438.db2.gz JNFOYDHKWLJWAP-GOSISDBHSA-N 0 0 430.570 4.320 40 0 IIABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408598316 555956846 /nfs/dbraw/zinc/95/68/46/555956846.db2.gz ZAPNPBFNEDBISO-CYBMUJFWSA-N 0 0 445.368 4.334 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000408603585 555972598 /nfs/dbraw/zinc/97/25/98/555972598.db2.gz BTTCINNYYAPKDL-UHFFFAOYSA-N 0 0 435.760 4.356 40 0 IIABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000408604159 555973794 /nfs/dbraw/zinc/97/37/94/555973794.db2.gz LEALKLXKTQLIIX-CQSZACIVSA-N 0 0 444.475 4.046 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000408611205 555976465 /nfs/dbraw/zinc/97/64/65/555976465.db2.gz VLADQTDQOWVQAF-LBPRGKRZSA-N 0 0 431.341 4.006 40 0 IIABRN CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Cl)ccc21 ZINC000408608761 555979055 /nfs/dbraw/zinc/97/90/55/555979055.db2.gz PQALEXMLIMMGRM-GFCCVEGCSA-N 0 0 447.322 4.185 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccc(F)cc1 ZINC000408618189 555981849 /nfs/dbraw/zinc/98/18/49/555981849.db2.gz DGLRNCNJNHNKHQ-UHFFFAOYSA-N 0 0 428.485 4.018 40 0 IIABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)c1C ZINC000408615012 555986158 /nfs/dbraw/zinc/98/61/58/555986158.db2.gz KSYLWAQMJSWLID-OAQYLSRUSA-N 0 0 441.531 4.225 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000408620186 555989371 /nfs/dbraw/zinc/98/93/71/555989371.db2.gz NGIVESNCNQLHRF-FQEVSTJZSA-N 0 0 436.577 4.404 40 0 IIABRN Cc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408620897 555989980 /nfs/dbraw/zinc/98/99/80/555989980.db2.gz KECVBVXUXTWUPC-UHFFFAOYSA-N 0 0 426.460 4.487 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)c(Cl)c1 ZINC000408624539 555994263 /nfs/dbraw/zinc/99/42/63/555994263.db2.gz QQQVNKCGLYXBOV-UHFFFAOYSA-N 0 0 430.998 4.026 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000408619636 555994926 /nfs/dbraw/zinc/99/49/26/555994926.db2.gz HYSPOAZUNGWCEQ-UHFFFAOYSA-N 0 0 440.521 4.201 40 0 IIABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000408619645 555994990 /nfs/dbraw/zinc/99/49/90/555994990.db2.gz ICCLRQROTOXLGR-UHFFFAOYSA-N 0 0 431.341 4.008 40 0 IIABRN COc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1 ZINC000408640512 556016623 /nfs/dbraw/zinc/01/66/23/556016623.db2.gz IGEAEVWCTZTWCP-GFCCVEGCSA-N 0 0 437.721 4.411 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000408643657 556023922 /nfs/dbraw/zinc/02/39/22/556023922.db2.gz BDXGLOTZOZDOON-GOSISDBHSA-N 0 0 442.943 4.308 40 0 IIABRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(N(C)C)cc1 ZINC000408643714 556024186 /nfs/dbraw/zinc/02/41/86/556024186.db2.gz CIFBENUCQAAWQI-UHFFFAOYSA-N 0 0 425.710 4.272 40 0 IIABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1Cl ZINC000408644613 556024791 /nfs/dbraw/zinc/02/47/91/556024791.db2.gz HEESKCLTUTUQSR-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408649224 556025728 /nfs/dbraw/zinc/02/57/28/556025728.db2.gz KVSRNYOYRZVAMM-XPGWFJOJSA-N 0 0 438.911 4.144 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000408650514 556026819 /nfs/dbraw/zinc/02/68/19/556026819.db2.gz BDSBNDFZLWYEGJ-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN COC(=O)c1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000408648202 556028651 /nfs/dbraw/zinc/02/86/51/556028651.db2.gz WARIQYJSYRHQIN-UHFFFAOYSA-N 0 0 440.279 4.121 40 0 IIABRN O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)Nc1cccc(Cl)c1Cl ZINC000408648528 556029356 /nfs/dbraw/zinc/02/93/56/556029356.db2.gz YZAWQMAVDIONHD-UHFFFAOYSA-N 0 0 435.185 4.290 40 0 IIABRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(O)c1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408652415 556030259 /nfs/dbraw/zinc/03/02/59/556030259.db2.gz IBNRJEMDIWQPLX-CSKPTYFESA-N 0 0 436.294 4.490 40 0 IIABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(O)cc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408654891 556033476 /nfs/dbraw/zinc/03/34/76/556033476.db2.gz KPQBQHCDWONVBS-LMHXZZLNSA-N 0 0 436.294 4.490 40 0 IIABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408654312 556035129 /nfs/dbraw/zinc/03/51/29/556035129.db2.gz QJUJUEDKBIWACB-KBAYOESNSA-N 0 0 438.911 4.144 40 0 IIABRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O ZINC000408656872 556036602 /nfs/dbraw/zinc/03/66/02/556036602.db2.gz SXOZGNCCOOYNBF-ZDUSSCGKSA-N 0 0 433.291 4.161 40 0 IIABRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2C)c(C)c1 ZINC000408662413 556040371 /nfs/dbraw/zinc/04/03/71/556040371.db2.gz HXTQNJILHDGEIZ-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000408662392 556044782 /nfs/dbraw/zinc/04/47/82/556044782.db2.gz XZLIQOOCUHCNIH-WOJBJXKFSA-N 0 0 438.911 4.064 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)Nc1ccc(Cl)cc1 ZINC000408663586 556046664 /nfs/dbraw/zinc/04/66/64/556046664.db2.gz AKUUUSOUVIEINO-NSHDSACASA-N 0 0 441.698 4.182 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1cccc(C(C)=O)c1 ZINC000408663866 556047234 /nfs/dbraw/zinc/04/72/34/556047234.db2.gz PCPMTYPXKAAJCR-UHFFFAOYSA-N 0 0 438.524 4.305 40 0 IIABRN Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)CCC2=O)cc1 ZINC000408664041 556048263 /nfs/dbraw/zinc/04/82/63/556048263.db2.gz YPGNETCDYQSBCD-CYBMUJFWSA-N 0 0 433.291 4.079 40 0 IIABRN CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408665773 556050170 /nfs/dbraw/zinc/05/01/70/556050170.db2.gz XERFNXRZHGUDAW-UHFFFAOYSA-N 0 0 437.279 4.097 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c(C)c1 ZINC000408664711 556052604 /nfs/dbraw/zinc/05/26/04/556052604.db2.gz DHFUQUPVNIOSOY-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408667238 556055513 /nfs/dbraw/zinc/05/55/13/556055513.db2.gz VFZDHZDHTKUGNT-CSKPTYFESA-N 0 0 436.294 4.490 40 0 IIABRN CCOc1ccccc1NC(=O)COC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000408672317 556061112 /nfs/dbraw/zinc/06/11/12/556061112.db2.gz VQQSJHZXUZVLNP-UHFFFAOYSA-N 0 0 432.520 4.269 40 0 IIABRN COc1ccc([C@@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)c(OC)c1OC ZINC000005765721 556065107 /nfs/dbraw/zinc/06/51/07/556065107.db2.gz 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CCc1ccc(OCC(=O)N(C)Cc2nnc(-c3ccccc3)o2)c(Br)c1 ZINC000408714511 556133890 /nfs/dbraw/zinc/13/38/90/556133890.db2.gz SKJKWLLBQYNNQM-UHFFFAOYSA-N 0 0 430.302 4.099 40 0 IIABRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000008969381 556237182 /nfs/dbraw/zinc/23/71/82/556237182.db2.gz QGSYQWMAQIQJSC-OVCNXMPXSA-N 0 0 438.948 4.063 40 0 IIABRN Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c2ccccc21 ZINC000009235247 556263554 /nfs/dbraw/zinc/26/35/54/556263554.db2.gz VBJKKTXWXPNQSI-QGMBQPNBSA-N 0 0 427.432 4.132 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000013708623 556283500 /nfs/dbraw/zinc/28/35/00/556283500.db2.gz NCJUJWIBWLKJMS-KRWDZBQOSA-N 0 0 426.538 4.276 40 0 IIABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013709117 556283616 /nfs/dbraw/zinc/28/36/16/556283616.db2.gz LTSAIOOOIUSIRJ-SFHVURJKSA-N 0 0 438.549 4.420 40 0 IIABRN CC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711987 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40 0 IIABRN COc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1ccccc1Br ZINC000036624111 556598652 /nfs/dbraw/zinc/59/86/52/556598652.db2.gz MLKCBOFVPVJAJT-DHDCSXOGSA-N 0 0 434.267 4.001 40 0 IIABRN O=C(CCc1c[nH]c2ccccc12)NCCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000036625379 556598663 /nfs/dbraw/zinc/59/86/63/556598663.db2.gz UJZMPIQIGFURBA-UHFFFAOYSA-N 0 0 435.837 4.174 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1cc(Cl)ccc1Cl ZINC000016428986 556607037 /nfs/dbraw/zinc/60/70/37/556607037.db2.gz OZPBXWKQUBBXEG-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN C[C@@H](C=CNN=C1NN=C(c2ccccc2)[C@@H](c2ccccc2)N1)Sc1ccccc1N ZINC000038195006 556612428 /nfs/dbraw/zinc/61/24/28/556612428.db2.gz ZQKSBFPMIVVJJI-SYFRSJDGSA-N 0 0 442.592 4.462 40 0 IIABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000100939422 556612432 /nfs/dbraw/zinc/61/24/32/556612432.db2.gz MSOIFKSYWYSVLK-HJOGWXRNSA-N 0 0 444.487 4.145 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000038753815 556616752 /nfs/dbraw/zinc/61/67/52/556616752.db2.gz AJTNZJFGCGUNPR-IBGZPJMESA-N 0 0 444.597 4.224 40 0 IIABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc3ccccc31)O2 ZINC000038834094 556622431 /nfs/dbraw/zinc/62/24/31/556622431.db2.gz OLTSYBVWIUPJSF-JOCHJYFZSA-N 0 0 438.549 4.303 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000038834484 556622458 /nfs/dbraw/zinc/62/24/58/556622458.db2.gz NMXULJBDZUCVRC-UHFFFAOYSA-N 0 0 445.357 4.477 40 0 IIABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2Cl)CC1 ZINC000016681593 556624174 /nfs/dbraw/zinc/62/41/74/556624174.db2.gz YEWSAWXYWLOWQA-UHFFFAOYSA-N 0 0 437.396 4.262 40 0 IIABRN C[C@@]1(O)CCN(C(=O)C2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289817 556624375 /nfs/dbraw/zinc/62/43/75/556624375.db2.gz HXNFHZJVNRCWHG-AWRGLXIESA-N 0 0 444.572 4.291 40 0 biogenic,in-vitro IIABRN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccc(C)cc3)c3nc4ccccc4n32)cc1 ZINC000039963997 556630610 /nfs/dbraw/zinc/63/06/10/556630610.db2.gz YOLHHFPBUNGQQF-QHCPKHFHSA-N 0 0 440.503 4.470 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000039986240 556632678 /nfs/dbraw/zinc/63/26/78/556632678.db2.gz JNVHLHOWZMFLQO-UHFFFAOYSA-N 0 0 444.475 4.062 40 0 IIABRN CCOc1ccc(NC(=O)Cn2nc(-c3cccc(OC)c3)n(-n3cccc3)c2=S)cc1 ZINC000016778073 556640647 /nfs/dbraw/zinc/64/06/47/556640647.db2.gz ZIXWWNOAIXUUEK-UHFFFAOYSA-N 0 0 449.536 4.240 40 0 IIABRN Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000040400434 556643396 /nfs/dbraw/zinc/64/33/96/556643396.db2.gz BXZSCMRRYQMXLM-GOSISDBHSA-N 0 0 431.496 4.010 40 0 IIABRN Cc1ccccc1[C@@H](NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccccc1 ZINC000044848214 556669936 /nfs/dbraw/zinc/66/99/36/556669936.db2.gz VFXYXSYBQYJFID-DEOSSOPVSA-N 0 0 436.577 4.284 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1C ZINC000044856427 556672253 /nfs/dbraw/zinc/67/22/53/556672253.db2.gz UVCITTLVFBARQM-VGOFRKELSA-N 0 0 444.597 4.005 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000044901498 556678063 /nfs/dbraw/zinc/67/80/63/556678063.db2.gz RXVNJJGBJGRQOS-GOSISDBHSA-N 0 0 449.016 4.376 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)c(C)c1 ZINC000017703580 556678786 /nfs/dbraw/zinc/67/87/86/556678786.db2.gz VNMFYMOYVZDEBS-SFHVURJKSA-N 0 0 432.561 4.029 40 0 IIABRN COc1cc(CO)cc(I)c1OCc1cccc(Br)c1 ZINC000226325860 556684150 /nfs/dbraw/zinc/68/41/50/556684150.db2.gz FZMKUYXZIYOSQJ-UHFFFAOYSA-N 0 0 449.082 4.134 40 0 IIABRN Cc1cccc(NCc2nc(SCC(=O)Nc3ccc(Br)cc3)n[nH]2)c1 ZINC000000679139 556690937 /nfs/dbraw/zinc/69/09/37/556690937.db2.gz DMJSKOMRJTZBBI-UHFFFAOYSA-N 0 0 432.347 4.219 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3ccnc3)cc2N1 ZINC000019083300 556697558 /nfs/dbraw/zinc/69/75/58/556697558.db2.gz DWYTZWBICYVIQK-IXDOHACOSA-N 0 0 438.498 4.167 40 0 IIABRN CC(C)(C)c1ccc(OCC(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)cc1 ZINC000019084494 556698506 /nfs/dbraw/zinc/69/85/06/556698506.db2.gz BLYRPTRDYQUXQT-UHFFFAOYSA-N 0 0 443.498 4.144 40 0 IIABRN CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)n2n1 ZINC000019084193 556698515 /nfs/dbraw/zinc/69/85/15/556698515.db2.gz HIBXIWIECLRQRT-CQSZACIVSA-N 0 0 431.462 4.460 40 0 IIABRN CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000000814081 556698710 /nfs/dbraw/zinc/69/87/10/556698710.db2.gz MCTMGXGGGZEPBT-FQEVSTJZSA-N 0 0 438.549 4.278 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000138403599 556700696 /nfs/dbraw/zinc/70/06/96/556700696.db2.gz XFGKTSXAZGCXPS-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN COc1cc(OC)c(C2=NO[C@H](C(=O)N3CCCCC[C@@H]3c3cc(C)no3)C2)cc1Cl ZINC000019120091 556700806 /nfs/dbraw/zinc/70/08/06/556700806.db2.gz BIFXODTXORLRDT-UTKZUKDTSA-N 0 0 447.919 4.291 40 0 IIABRN CCOCc1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3cccs3)cc2)cc1 ZINC000257200850 556700856 /nfs/dbraw/zinc/70/08/56/556700856.db2.gz AFCTZEJLJJNSRO-QFIPXVFZSA-N 0 0 434.561 4.135 40 0 IIABRN Cc1cc(C(=O)N2CCC[C@@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)C)N4)C2)on1 ZINC000019119812 556700859 /nfs/dbraw/zinc/70/08/59/556700859.db2.gz WTTIDRFQCZJYME-CPUCHLNUSA-N 0 0 425.455 4.143 40 0 IIABRN Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(C(=O)c3ccccc3F)C2)on1 ZINC000019122144 556701463 /nfs/dbraw/zinc/70/14/63/556701463.db2.gz QJSMUOVNNNIEQL-QGZVFWFLSA-N 0 0 435.503 4.199 40 0 IIABRN O=C(c1ccccc1Nc1ccccc1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 ZINC000257204854 556701596 /nfs/dbraw/zinc/70/15/96/556701596.db2.gz AWOFEIQMVCJBPP-AREMUKBSSA-N 0 0 427.504 4.078 40 0 IIABRN Cc1cc2ccccc2n1CCC(=O)N[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(F)cc1 ZINC000019126850 556703497 /nfs/dbraw/zinc/70/34/97/556703497.db2.gz BAANMILWTGHSFY-QFIPXVFZSA-N 0 0 432.499 4.383 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@H](Cc2cccc3ncccc23)C1 ZINC000257322419 556704530 /nfs/dbraw/zinc/70/45/30/556704530.db2.gz WFWXIGUNONVFEC-LJQANCHMSA-N 0 0 440.503 4.148 40 0 IIABRN Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2c2nn(C)cc2-c2ccnc(N3CCCC3)n2)cc1 ZINC000019135978 556706420 /nfs/dbraw/zinc/70/64/20/556706420.db2.gz MWEKZIVRQZOCQC-WMZHIEFXSA-N 0 0 444.583 4.253 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000019209208 556708097 /nfs/dbraw/zinc/70/80/97/556708097.db2.gz VRDCZMIPGKHJSC-AREMUKBSSA-N 0 0 432.589 4.473 40 0 IIABRN COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)Cc3ccc(C)cc3)n2)cc1 ZINC000019209999 556708848 /nfs/dbraw/zinc/70/88/48/556708848.db2.gz LOCUJCPRFOPSSI-UHFFFAOYSA-N 0 0 426.520 4.288 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230819 556709007 /nfs/dbraw/zinc/70/90/07/556709007.db2.gz GEBMKIORUWCPAU-URXFXBBRSA-N 0 0 446.494 4.067 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H](C)Oc3ccc(C)cc3)C1)N2 ZINC000019210836 556709089 /nfs/dbraw/zinc/70/90/89/556709089.db2.gz NLSLLLBPCHHIKB-QGZVKYPTSA-N 0 0 432.515 4.196 40 0 IIABRN Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000019212613 556710271 /nfs/dbraw/zinc/71/02/71/556710271.db2.gz OONBVLPQGSMDFB-MHZLTWQESA-N 0 0 442.563 4.052 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@@H](Cc2cccc3cnccc32)C1 ZINC000257246796 556711051 /nfs/dbraw/zinc/71/10/51/556711051.db2.gz IVWDOAKDPCKURY-IBGZPJMESA-N 0 0 440.503 4.148 40 0 IIABRN COc1cccc(CC(=O)N2[C@@H]3CCC[C@@H]4N(C(C)=O)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c1 ZINC000257251820 556711626 /nfs/dbraw/zinc/71/16/26/556711626.db2.gz JSJPCUIIPIUKCT-SVNGMSFNSA-N 0 0 446.591 4.239 40 0 IIABRN Cc1cc(C)cc(-c2ccc(CC3(C(=O)N4CCC[C@@H](C(N)=O)C4)CCOCC3)cc2)c1 ZINC000257253255 556711676 /nfs/dbraw/zinc/71/16/76/556711676.db2.gz JYDRDIDIHLXLLL-HSZRJFAPSA-N 0 0 434.580 4.034 40 0 IIABRN Cc1ccccc1-c1cccc(CC2(C(N)=O)CCN(C(=O)COc3ccccc3)CC2)c1 ZINC000257263194 556712643 /nfs/dbraw/zinc/71/26/43/556712643.db2.gz LOUVNJXLKVVBCE-UHFFFAOYSA-N 0 0 442.559 4.378 40 0 IIABRN Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 ZINC000019218342 556713449 /nfs/dbraw/zinc/71/34/49/556713449.db2.gz LHGMNEGUDRGXKN-UHFFFAOYSA-N 0 0 432.520 4.026 40 0 IIABRN O=C(c1cccc2ncccc21)N1CCC[C@]2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000257275388 556714096 /nfs/dbraw/zinc/71/40/96/556714096.db2.gz NPEITKCTGRXPQT-AREMUKBSSA-N 0 0 429.520 4.295 40 0 IIABRN Cc1cccc(CC(=O)N2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)c1 ZINC000019234593 556718830 /nfs/dbraw/zinc/71/88/30/556718830.db2.gz XXEXVUZRCSGXQA-MUUNZHRXSA-N 0 0 441.575 4.149 40 0 IIABRN Cc1ncsc1C(=O)N1CCC[C@](Cc2cccc(-c3cccc(C)c3)c2)(C(N)=O)C1 ZINC000019235436 556719966 /nfs/dbraw/zinc/71/99/66/556719966.db2.gz LZXQJEWRTIUIMS-RUZDIDTESA-N 0 0 433.577 4.377 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cccc(OC)c2)C1 ZINC000019235496 556720174 /nfs/dbraw/zinc/72/01/74/556720174.db2.gz ZLNNQUCOBYCKKY-MUUNZHRXSA-N 0 0 442.559 4.492 40 0 IIABRN Clc1nc(NCc2ccco2)nc(Nc2ccc(I)cc2)n1 ZINC000000854126 556722204 /nfs/dbraw/zinc/72/22/04/556722204.db2.gz XZPFLRWCHIRBHB-UHFFFAOYSA-N 0 0 427.633 4.078 40 0 IIABRN Cc1ccccc1-c1noc([C@@H]2CN(C(=O)c3ccc4c(c3)ncn4C(C)C)CCO2)n1 ZINC000019237517 556722430 /nfs/dbraw/zinc/72/24/30/556722430.db2.gz DEGRWWRXAJRSIE-NRFANRHFSA-N 0 0 431.496 4.189 40 0 IIABRN Cc1cnccc1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019239412 556724475 /nfs/dbraw/zinc/72/44/75/556724475.db2.gz ODLLLHCZMNNHNE-ZWKOTPCHSA-N 0 0 431.531 4.427 40 0 IIABRN COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c1 ZINC000019239723 556725459 /nfs/dbraw/zinc/72/54/59/556725459.db2.gz KPJAQVVWUJKRJC-HSZRJFAPSA-N 0 0 445.567 4.218 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)COc1ccccc1 ZINC000019239701 556725465 /nfs/dbraw/zinc/72/54/65/556725465.db2.gz VQQUTQLDNTVKAF-JOCHJYFZSA-N 0 0 431.540 4.046 40 0 IIABRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2cc(OC)ccc2nc1Cl ZINC000000870407 556725540 /nfs/dbraw/zinc/72/55/40/556725540.db2.gz CTYJTIUGUJQZHS-UHFFFAOYSA-N 0 0 444.915 4.258 40 0 IIABRN Cc1cnccc1-c1cnc(C)nc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000019239804 556725679 /nfs/dbraw/zinc/72/56/79/556725679.db2.gz NSKAQTQUBUMVSD-NRFANRHFSA-N 0 0 444.507 4.350 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)c1ccc(N(C)C)cc1 ZINC000019239754 556725684 /nfs/dbraw/zinc/72/56/84/556725684.db2.gz GTMUNAZVXZBBBD-QHCPKHFHSA-N 0 0 444.583 4.346 40 0 IIABRN COCc1ccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1 ZINC000019239849 556725976 /nfs/dbraw/zinc/72/59/76/556725976.db2.gz KUKGNGSJKOSCCK-QFIPXVFZSA-N 0 0 431.540 4.037 40 0 IIABRN COC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)COc1ccccc1C ZINC000000871956 556726872 /nfs/dbraw/zinc/72/68/72/556726872.db2.gz RCNATKAHWOIBIH-UHFFFAOYSA-N 0 0 444.553 4.232 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)c1ccc(OC)cc1 ZINC000000872023 556727102 /nfs/dbraw/zinc/72/71/02/556727102.db2.gz QWYVQIUUXGGQFK-UHFFFAOYSA-N 0 0 442.468 4.495 40 0 IIABRN Cc1nc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cc(=O)[nH]1 ZINC000019285364 556727145 /nfs/dbraw/zinc/72/71/45/556727145.db2.gz KZHXFZNVKPMQBZ-XMMPIXPASA-N 0 0 441.506 4.450 40 0 IIABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)CC3CCCCC3)C2)n1 ZINC000019290124 556729885 /nfs/dbraw/zinc/72/98/85/556729885.db2.gz DMGCKYITKIPVQH-FQEVSTJZSA-N 0 0 436.604 4.154 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NC[C@H]3CCCO3)C3CCCCC3)cc12 ZINC000000878488 556730304 /nfs/dbraw/zinc/73/03/04/556730304.db2.gz HFKFSVZUSOAUQF-HXUWFJFHSA-N 0 0 427.614 4.333 40 0 IIABRN Cc1ccc2cc(CN(Cc3cccs3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1C ZINC000000884572 556734715 /nfs/dbraw/zinc/73/47/15/556734715.db2.gz GSMOWJAMAGGLNR-IBGZPJMESA-N 0 0 441.622 4.262 40 0 IIABRN Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4ccccc4Cl)nnc12)OCO3 ZINC000000887097 556738438 /nfs/dbraw/zinc/73/84/38/556738438.db2.gz IDCNULOIOSRWHV-UHFFFAOYSA-N 0 0 426.885 4.304 40 0 IIABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)cc2c1 ZINC000000888907 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COc1cccc(CC(=O)N2CCC[C@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)c1 ZINC000019564184 556804982 /nfs/dbraw/zinc/80/49/82/556804982.db2.gz ZYBQARYLLRJWNJ-AREMUKBSSA-N 0 0 448.588 4.303 40 0 IIABRN Cc1[nH]c2cc(C)cc(C)c2c1CC(=O)N[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(F)cc1 ZINC000019568020 556808247 /nfs/dbraw/zinc/80/82/47/556808247.db2.gz AKLJRCQNIGWZHC-JOCHJYFZSA-N 0 0 446.526 4.267 40 0 IIABRN Cc1nn(CCC(=O)N2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c(C)c1C ZINC000019568657 556808558 /nfs/dbraw/zinc/80/85/58/556808558.db2.gz CMMVGAHRJDLKAV-MRXNPFEDSA-N 0 0 449.477 4.468 40 0 IIABRN Cc1cc(CC(=O)N2CCC[C@H](c3cc(Oc4ccc(N(C)C)cc4)cc(C)n3)C2)on1 ZINC000019570169 556810158 /nfs/dbraw/zinc/81/01/58/556810158.db2.gz PGMWMHZCGHFZGU-IBGZPJMESA-N 0 0 434.540 4.493 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C ZINC000019571151 556811322 /nfs/dbraw/zinc/81/13/22/556811322.db2.gz RZYATWQNNKJKSI-QFIPXVFZSA-N 0 0 445.567 4.136 40 0 IIABRN COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)CC2CCCCC2)CCNC1=O 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0 0 436.903 4.216 40 0 IIABRN Cc1ncsc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019693903 556848452 /nfs/dbraw/zinc/84/84/52/556848452.db2.gz IDVSUBDMQGWMIE-INIZCTEOSA-N 0 0 425.533 4.133 40 0 IIABRN CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCCC4)C2)n1 ZINC000019693952 556848908 /nfs/dbraw/zinc/84/89/08/556848908.db2.gz HVLWRMRPRCRCJD-IBGZPJMESA-N 0 0 444.583 4.221 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cs1 ZINC000019694223 556849621 /nfs/dbraw/zinc/84/96/21/556849621.db2.gz SKAJXBWPQMOCNC-QGZVFWFLSA-N 0 0 439.560 4.062 40 0 IIABRN Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019694308 556850109 /nfs/dbraw/zinc/85/01/09/556850109.db2.gz WJWUMIDWRLCNLP-HXUWFJFHSA-N 0 0 438.963 4.272 40 0 IIABRN COc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)cc1 ZINC000019695535 556852169 /nfs/dbraw/zinc/85/21/69/556852169.db2.gz SCUSWTVGKFZDQZ-QGZVFWFLSA-N 0 0 447.461 4.254 40 0 IIABRN C/C(=C\c1ccccc1)CN1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019696789 556853964 /nfs/dbraw/zinc/85/39/64/556853964.db2.gz DUUZVFFTDUQPTB-BKBDBRRMSA-N 0 0 436.577 4.100 40 0 IIABRN CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2c(C)nc3cc(C)ccn32)CCO1 ZINC000019697609 556855031 /nfs/dbraw/zinc/85/50/31/556855031.db2.gz ITHTZDZCLMBSNV-LJQANCHMSA-N 0 0 434.565 4.099 40 0 IIABRN Cc1nnc2n1C[C@@H](c1cccc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c1)CC2 ZINC000019698148 556856163 /nfs/dbraw/zinc/85/61/63/556856163.db2.gz IEABJPFKODYILB-FQEVSTJZSA-N 0 0 434.515 4.139 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408787114 556856796 /nfs/dbraw/zinc/85/67/96/556856796.db2.gz RRUFNWZPWJPLIN-XMMPIXPASA-N 0 0 446.528 4.500 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cs1 ZINC000019705549 556862561 /nfs/dbraw/zinc/86/25/61/556862561.db2.gz ZRMARJMHJPSALW-KRWDZBQOSA-N 0 0 438.528 4.187 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)nc2c1CCCN2CC1CC1 ZINC000019706242 556864400 /nfs/dbraw/zinc/86/44/00/556864400.db2.gz APOWCFNHYUHZGM-OAQYLSRUSA-N 0 0 436.604 4.021 40 0 IIABRN Cc1nnsc1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)CCC2 ZINC000019706254 556864409 /nfs/dbraw/zinc/86/44/09/556864409.db2.gz YCCCWPBDHSQFGT-HXUWFJFHSA-N 0 0 448.596 4.265 40 0 IIABRN CCOC(=O)Oc1ccc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)cc1OC ZINC000408813651 556865063 /nfs/dbraw/zinc/86/50/63/556865063.db2.gz ONJIICJFXINOCH-UHFFFAOYSA-N 0 0 443.501 4.311 40 0 IIABRN C[C@@H](CN(C)C(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)c1ccccc1 ZINC000019708096 556868121 /nfs/dbraw/zinc/86/81/21/556868121.db2.gz HFNLVDRBIWBKGI-FQEVSTJZSA-N 0 0 442.563 4.372 40 0 IIABRN CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5ncccc5c4)CC3)nc21 ZINC000019739553 556878348 /nfs/dbraw/zinc/87/83/48/556878348.db2.gz KKDIFYNWQOSKHB-UHFFFAOYSA-N 0 0 443.551 4.042 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)c2cccc(Oc3ccccc3)c2)nc2c1CC(=O)N2C ZINC000019739816 556879090 /nfs/dbraw/zinc/87/90/90/556879090.db2.gz SHVRNBJMPRHUCR-OAQYLSRUSA-N 0 0 428.492 4.074 40 0 IIABRN COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCCN2C(=O)CC2CCCC2)nc3C)cc1 ZINC000019739893 556879352 /nfs/dbraw/zinc/87/93/52/556879352.db2.gz AIBZPNMHDNBSLT-QFIPXVFZSA-N 0 0 448.567 4.127 40 0 IIABRN CC(=O)Nc1ccc(CN2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)cc1 ZINC000019740836 556881783 /nfs/dbraw/zinc/88/17/83/556881783.db2.gz NYAWGZFIUNHMCD-HSZRJFAPSA-N 0 0 449.599 4.406 40 0 IIABRN Cc1c(CN2CCCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cnn1C ZINC000019741011 556882242 /nfs/dbraw/zinc/88/22/42/556882242.db2.gz ULTJJROEESTBOF-HSZRJFAPSA-N 0 0 444.583 4.034 40 0 IIABRN Cc1nc2ccccn2c1CN1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC(C)C)C(=O)CC2 ZINC000019741199 556882699 /nfs/dbraw/zinc/88/26/99/556882699.db2.gz NWAJYAJVEDGHQA-OAQYLSRUSA-N 0 0 446.599 4.404 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1OC ZINC000408906901 556884635 /nfs/dbraw/zinc/88/46/35/556884635.db2.gz KCIFKMHQWRBGRK-UHFFFAOYSA-N 0 0 440.521 4.374 40 0 IIABRN CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c1 ZINC000408917767 556888935 /nfs/dbraw/zinc/88/89/35/556888935.db2.gz AYHRCJVTPAFBCD-VUUXHMSQSA-N 0 0 443.886 4.359 40 0 IIABRN C[C@]1(C2CCN(C(=O)Cc3ccccn3)CC2)CCCCN(CCc2ccccc2)C1=O ZINC000019745035 556891842 /nfs/dbraw/zinc/89/18/42/556891842.db2.gz VSNVTURUQJIYOY-HHHXNRCGSA-N 0 0 433.596 4.124 40 0 IIABRN O=C(Cc1ccccn1)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 ZINC000019745143 556891979 /nfs/dbraw/zinc/89/19/79/556891979.db2.gz IPZZDVBMSQYNQS-UHFFFAOYSA-N 0 0 444.514 4.053 40 0 IIABRN CC(C)(C)SCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000408924395 556892671 /nfs/dbraw/zinc/89/26/71/556892671.db2.gz HYFMODDNVNSTEX-UHFFFAOYSA-N 0 0 441.018 4.183 40 0 IIABRN COc1cccc(CCNC(=O)CC2CCN(C(=O)c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000019748431 556893019 /nfs/dbraw/zinc/89/30/19/556893019.db2.gz JZCIGNNICPOCON-UHFFFAOYSA-N 0 0 433.552 4.086 40 0 IIABRN Cc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)cc1C ZINC000019750032 556894047 /nfs/dbraw/zinc/89/40/47/556894047.db2.gz PFIHDAVDXVFJPA-HSZRJFAPSA-N 0 0 447.510 4.220 40 0 IIABRN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)c2)cc1C ZINC000019751162 556895037 /nfs/dbraw/zinc/89/50/37/556895037.db2.gz IBOJIFLEWQNSMO-QHCPKHFHSA-N 0 0 447.510 4.220 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019754763 556897749 /nfs/dbraw/zinc/89/77/49/556897749.db2.gz SYVBDNTXYOLIJD-HSZRJFAPSA-N 0 0 441.579 4.195 40 0 IIABRN COCc1ccc(C(=O)N2CC[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cc1 ZINC000019756872 556900936 /nfs/dbraw/zinc/90/09/36/556900936.db2.gz VBNOHYAPRQXEBN-OAQYLSRUSA-N 0 0 445.563 4.397 40 0 IIABRN Cc1ccc2oc(C(=O)N3CCC(Cc4ncncc4C(=O)NC4CCCC4)CC3)cc2c1 ZINC000019757232 556901311 /nfs/dbraw/zinc/90/13/11/556901311.db2.gz BFTKVKUEHWCNEX-UHFFFAOYSA-N 0 0 446.551 4.299 40 0 IIABRN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000019758537 556902047 /nfs/dbraw/zinc/90/20/47/556902047.db2.gz NVTWQRYAMYCUPP-UHFFFAOYSA-N 0 0 438.572 4.042 40 0 IIABRN CC(C)NC(=O)c1cc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)nc2ccccc21 ZINC000019759723 556903612 /nfs/dbraw/zinc/90/36/12/556903612.db2.gz AJTHTGDFEDLJCX-SANMLTNESA-N 0 0 440.547 4.495 40 0 IIABRN Cc1ccc(CN(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408969356 556904215 /nfs/dbraw/zinc/90/42/15/556904215.db2.gz MOKYTPXLSAYKSD-UHFFFAOYSA-N 0 0 442.968 4.156 40 0 IIABRN O=C(c1ccncc1)N1CCC2(C[C@@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327336 556904274 /nfs/dbraw/zinc/90/42/74/556904274.db2.gz VGOLGYCDKAGJDU-DEOSSOPVSA-N 0 0 434.927 4.242 40 0 IIABRN O=C(Nc1ccccc1Cl)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 ZINC000408976123 556906244 /nfs/dbraw/zinc/90/62/44/556906244.db2.gz PGNAXGAZDPTFAQ-UHFFFAOYSA-N 0 0 428.835 4.336 40 0 IIABRN COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)C4CCCCC4)CC3)nc2C)cc1 ZINC000019764199 556908766 /nfs/dbraw/zinc/90/87/66/556908766.db2.gz JRYFNLJERXJWTA-UHFFFAOYSA-N 0 0 436.556 4.332 40 0 IIABRN Cc1cc2nc(C3CCN(C(=O)c4cc(-c5ccco5)on4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340833 556912921 /nfs/dbraw/zinc/91/29/21/556912921.db2.gz LJLRMRMJEFEBRV-UHFFFAOYSA-N 0 0 445.401 4.324 40 0 IIABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000409002924 556914825 /nfs/dbraw/zinc/91/48/25/556914825.db2.gz CKFKEHBHLQUYSK-UHFFFAOYSA-N 0 0 434.989 4.022 40 0 IIABRN Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409005790 556915821 /nfs/dbraw/zinc/91/58/21/556915821.db2.gz VZOCSEXIRGGBKE-UHFFFAOYSA-N 0 0 428.941 4.478 40 0 IIABRN O=C1S/C(=C\c2ccc(I)o2)C(=O)N1CCc1ccccc1 ZINC000409007476 556916563 /nfs/dbraw/zinc/91/65/63/556916563.db2.gz QLYAKGKJYONMRS-RAXLEYEMSA-N 0 0 425.247 4.163 40 0 IIABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cc1 ZINC000072346162 556917517 /nfs/dbraw/zinc/91/75/17/556917517.db2.gz RJXTYBDBCYSIQH-SFHVURJKSA-N 0 0 449.942 4.357 40 0 IIABRN COc1cc([C@H]2CC(=O)c3cn4nc(-c5ccc(C)cc5)nc4nc3C2)cc(OC)c1OC ZINC000019816669 556919675 /nfs/dbraw/zinc/91/96/75/556919675.db2.gz PFELGKFJIRFDPY-MRXNPFEDSA-N 0 0 444.491 4.038 40 0 IIABRN COC(=O)c1c(C)nc2ccn(-c3ccc(OC)cc3)c(=O)c2c1-c1ccc(OC)cc1 ZINC000019819260 556922154 /nfs/dbraw/zinc/92/21/54/556922154.db2.gz RJXLXEJZMYDAOF-UHFFFAOYSA-N 0 0 430.460 4.165 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(F)c1 ZINC000019820182 556923685 /nfs/dbraw/zinc/92/36/85/556923685.db2.gz BTPQQSJPNDTYJD-DHIUTWEWSA-N 0 0 443.478 4.491 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(O)c1 ZINC000019820198 556923715 /nfs/dbraw/zinc/92/37/15/556923715.db2.gz VRQLJMDXZPTHDS-DHIUTWEWSA-N 0 0 441.487 4.057 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccs1 ZINC000019820509 556923822 /nfs/dbraw/zinc/92/38/22/556923822.db2.gz QIRHYAODIQKHQR-VXKWHMMOSA-N 0 0 445.544 4.456 40 0 IIABRN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CC(=O)N2CCCc3ccccc32)C1 ZINC000072352378 556924249 /nfs/dbraw/zinc/92/42/49/556924249.db2.gz RPAMINGOSOGQAM-GOSISDBHSA-N 0 0 433.577 4.030 40 0 IIABRN Cc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000409028194 556924561 /nfs/dbraw/zinc/92/45/61/556924561.db2.gz IQXKFFRQESLACR-UHFFFAOYSA-N 0 0 430.476 4.416 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2cccc(C)c2)cc1 ZINC000409028643 556924786 /nfs/dbraw/zinc/92/47/86/556924786.db2.gz OXTPPIRNOVGTFZ-UHFFFAOYSA-N 0 0 430.476 4.416 40 0 IIABRN Cc1ccc(CNC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000409026305 556926146 /nfs/dbraw/zinc/92/61/46/556926146.db2.gz LKBFZFSXIISEHW-IBGZPJMESA-N 0 0 438.549 4.258 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000072353317 556926315 /nfs/dbraw/zinc/92/63/15/556926315.db2.gz CNHXZFWCRRHBOT-FQEVSTJZSA-N 0 0 431.540 4.189 40 0 IIABRN COc1ccccc1S(=O)(=O)N1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353471 556926827 /nfs/dbraw/zinc/92/68/27/556926827.db2.gz MARWGBIAJPRBSY-SFHVURJKSA-N 0 0 438.553 4.106 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4cc(-c5ccc(N)nc5)cc(C)n4)C3)c2c1 ZINC000072353791 556928298 /nfs/dbraw/zinc/92/82/98/556928298.db2.gz IDYKAXPELXIXHI-GOSISDBHSA-N 0 0 426.524 4.239 40 0 IIABRN Cc1nc(C)n(CCC(=O)N2CCC[C@@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)n1 ZINC000072354066 556928840 /nfs/dbraw/zinc/92/88/40/556928840.db2.gz JKYUWBLDRAQXPM-XMMPIXPASA-N 0 0 431.584 4.294 40 0 IIABRN Cc1cnc2c(C(=O)N3CCC[C@H](c4cc(Cc5ccccc5F)cc(C)n4)C3)cnn2c1 ZINC000072354173 556929307 /nfs/dbraw/zinc/92/93/07/556929307.db2.gz HEQWKLFBSBJBFE-NRFANRHFSA-N 0 0 443.526 4.491 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072354225 556929560 /nfs/dbraw/zinc/92/95/60/556929560.db2.gz XMJBGYIMSQGDQE-NRFANRHFSA-N 0 0 425.554 4.154 40 0 IIABRN COc1ccccc1Cc1cc(C)nc([C@H]2CCCN(C(=O)CCc3nc(C)no3)C2)c1 ZINC000072354263 556929942 /nfs/dbraw/zinc/92/99/42/556929942.db2.gz DCBBIBFQSQLJLI-NRFANRHFSA-N 0 0 434.540 4.020 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 ZINC000072356113 556930724 /nfs/dbraw/zinc/93/07/24/556930724.db2.gz OKKFCGOJZNIXHM-OAQYLSRUSA-N 0 0 449.473 4.041 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)CC1 ZINC000072356198 556930733 /nfs/dbraw/zinc/93/07/33/556930733.db2.gz LXRMVKKABSQDIL-QHCPKHFHSA-N 0 0 437.559 4.084 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409053451 556931798 /nfs/dbraw/zinc/93/17/98/556931798.db2.gz KDAKWFAOJZFSFU-UHFFFAOYSA-N 0 0 443.396 4.407 40 0 IIABRN CCc1ccc(N2C(=O)/C(=C/c3ccc(SC)cc3)N(CC(=O)OC)C2=S)cc1 ZINC000409056157 556933803 /nfs/dbraw/zinc/93/38/03/556933803.db2.gz MWKJNNPEHCAXLX-UYRXBGFRSA-N 0 0 426.563 4.119 40 0 IIABRN O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868148 556935056 /nfs/dbraw/zinc/93/50/56/556935056.db2.gz ZZQLBPDSMBOHLF-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868648 556935377 /nfs/dbraw/zinc/93/53/77/556935377.db2.gz DCISOTDPFCYJRU-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(F)cc2)cc1 ZINC000409059364 556936512 /nfs/dbraw/zinc/93/65/12/556936512.db2.gz WTZQZLXRTIWLPS-UHFFFAOYSA-N 0 0 430.476 4.103 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2CC(C)C ZINC000072371092 556937348 /nfs/dbraw/zinc/93/73/48/556937348.db2.gz GVDUTXKVHGJIRI-JOCHJYFZSA-N 0 0 449.599 4.192 40 0 IIABRN O=C(COc1ccccc1)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371273 556937780 /nfs/dbraw/zinc/93/77/80/556937780.db2.gz LCVSNKNYSQRSMK-KRWDZBQOSA-N 0 0 425.916 4.080 40 0 IIABRN C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409054733 556938227 /nfs/dbraw/zinc/93/82/27/556938227.db2.gz BGVHJEKVIUPFCW-RBIVETJNSA-N 0 0 425.234 4.258 40 0 IIABRN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 ZINC000072372740 556944247 /nfs/dbraw/zinc/94/42/47/556944247.db2.gz ASPMARZCUGNVJU-IBGZPJMESA-N 0 0 438.507 4.470 40 0 IIABRN COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c1 ZINC000019927982 556946086 /nfs/dbraw/zinc/94/60/86/556946086.db2.gz PRUBHRYBMSEXIC-UHFFFAOYSA-N 0 0 429.498 4.013 40 0 IIABRN Cc1cccc(OCCNc2cc([C@@H](C)n3ncc4ccccc4c3=O)nc(C)n2)c1C ZINC000072373290 556946072 /nfs/dbraw/zinc/94/60/72/556946072.db2.gz LGCAKJLLYVWPRY-GOSISDBHSA-N 0 0 429.524 4.212 40 0 IIABRN Cc1nc(Cn2ncc3ccccc3c2=O)cc(NCCc2ccc(C(F)(F)F)cc2)n1 ZINC000072373301 556946100 /nfs/dbraw/zinc/94/61/00/556946100.db2.gz CQWQFOHTSPLZCD-UHFFFAOYSA-N 0 0 439.441 4.217 40 0 IIABRN Cc1nc(NCCCN(C)c2ccccc2)cc([C@H](C)n2ncc3ccccc3c2=O)n1 ZINC000072373335 556946267 /nfs/dbraw/zinc/94/62/67/556946267.db2.gz PSAUUTONCNWBSP-SFHVURJKSA-N 0 0 428.540 4.043 40 0 IIABRN COc1cccc(-c2nnc(CSc3nnc(COc4ccccc4OC)o3)o2)c1 ZINC000019928535 556946335 /nfs/dbraw/zinc/94/63/35/556946335.db2.gz XWYNEBUCOWKXHH-UHFFFAOYSA-N 0 0 426.454 4.008 40 0 IIABRN Cc1ccc(OCCNc2cc([C@H](C)n3ncc4ccccc4c3=O)nc(C)n2)cc1C ZINC000072373339 556946383 /nfs/dbraw/zinc/94/63/83/556946383.db2.gz KMEXUZVNSMZKEB-SFHVURJKSA-N 0 0 429.524 4.212 40 0 IIABRN CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000409081542 556947707 /nfs/dbraw/zinc/94/77/07/556947707.db2.gz PYNIILVHJQSPRB-UHFFFAOYSA-N 0 0 440.540 4.074 40 0 IIABRN O=C(c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)N1CCC2(C1)CCCCC2 ZINC000072374436 556948172 /nfs/dbraw/zinc/94/81/72/556948172.db2.gz WMERNFGTVMVWSE-UHFFFAOYSA-N 0 0 432.568 4.293 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000019930647 556948390 /nfs/dbraw/zinc/94/83/90/556948390.db2.gz HYRKIJLQYBMGSC-UHFFFAOYSA-N 0 0 448.588 4.289 40 0 IIABRN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000019931066 556948586 /nfs/dbraw/zinc/94/85/86/556948586.db2.gz MDRNTQWFYPFQJZ-VGOFRKELSA-N 0 0 442.968 4.107 40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1 ZINC000072374699 556948883 /nfs/dbraw/zinc/94/88/83/556948883.db2.gz CVJIWBGWKBZFLW-HXUWFJFHSA-N 0 0 425.536 4.464 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000019931424 556948849 /nfs/dbraw/zinc/94/88/49/556948849.db2.gz AKFQUUPFFCHBBE-DENIHFKCSA-N 0 0 446.613 4.370 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000019931428 556948906 /nfs/dbraw/zinc/94/89/06/556948906.db2.gz AKFQUUPFFCHBBE-SIKLNZKXSA-N 0 0 446.613 4.370 40 0 IIABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC000072374806 556949000 /nfs/dbraw/zinc/94/90/00/556949000.db2.gz JLZVVNQAGSQHFP-IBGZPJMESA-N 0 0 428.458 4.212 40 0 IIABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072374795 556949021 /nfs/dbraw/zinc/94/90/21/556949021.db2.gz LPIPKIHYARIDBG-GOSISDBHSA-N 0 0 428.458 4.363 40 0 IIABRN CCOc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000019931633 556949086 /nfs/dbraw/zinc/94/90/86/556949086.db2.gz XCZUQZHQTBRMKK-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072374796 556949099 /nfs/dbraw/zinc/94/90/99/556949099.db2.gz LPIPKIHYARIDBG-SFHVURJKSA-N 0 0 428.458 4.363 40 0 IIABRN COc1ccc([C@H](CC(=O)Nc2ccccc2F)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935927 556951148 /nfs/dbraw/zinc/95/11/48/556951148.db2.gz QXAORRHMLMWGKV-QFIPXVFZSA-N 0 0 442.512 4.225 40 0 IIABRN CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2)s1 ZINC000072375521 556951622 /nfs/dbraw/zinc/95/16/22/556951622.db2.gz CVWCYVFSSCPFFA-INIZCTEOSA-N 0 0 445.495 4.260 40 0 IIABRN CSc1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000019937843 556951695 /nfs/dbraw/zinc/95/16/95/556951695.db2.gz YLHOAXWNIVWVEE-UHFFFAOYSA-N 0 0 442.562 4.251 40 0 IIABRN CCN(c1ccc(OCC(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937907 556952029 /nfs/dbraw/zinc/95/20/29/556952029.db2.gz YTUHRQNYORXSBG-UHFFFAOYSA-N 0 0 428.485 4.058 40 0 IIABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)COc3ccc(F)cc3)n2)s1 ZINC000072375608 556952246 /nfs/dbraw/zinc/95/22/46/556952246.db2.gz OVRAKCFJDDHGLQ-QGZVFWFLSA-N 0 0 427.505 4.121 40 0 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CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220716639 557309436 /nfs/dbraw/zinc/30/94/36/557309436.db2.gz BBCZHSDAOXCTHR-KRWDZBQOSA-N 0 0 429.369 4.163 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C)cc2)cc1OC ZINC000113936140 557310061 /nfs/dbraw/zinc/31/00/61/557310061.db2.gz ATBHMQBRYJKPEC-UHFFFAOYSA-N 0 0 440.521 4.090 40 0 IIABRN CC[C@@H](C(=O)NCCSC1CCCCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220733014 557310218 /nfs/dbraw/zinc/31/02/18/557310218.db2.gz QBUZIFFJXVFFGZ-IBGZPJMESA-N 0 0 447.066 4.375 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2cccc(Cl)c2)cc1 ZINC000113938103 557310576 /nfs/dbraw/zinc/31/05/76/557310576.db2.gz DNUCYCQEYGPTQZ-UHFFFAOYSA-N 0 0 430.913 4.183 40 0 IIABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220747983 557311197 /nfs/dbraw/zinc/31/11/97/557311197.db2.gz RJQUTFJZDOABQU-QGZVFWFLSA-N 0 0 445.368 4.494 40 0 IIABRN CC[C@@H](C(=O)Nc1ccccc1SC)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220750346 557311540 /nfs/dbraw/zinc/31/15/40/557311540.db2.gz NELAVWYFAXHLII-INIZCTEOSA-N 0 0 442.990 4.254 40 0 IIABRN CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000220754538 557311685 /nfs/dbraw/zinc/31/16/85/557311685.db2.gz QNILBWALURAPHU-HNNXBMFYSA-N 0 0 431.341 4.185 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000113971811 557311977 /nfs/dbraw/zinc/31/19/77/557311977.db2.gz CRCPNJCPFUMYSC-PXNSSMCTSA-N 0 0 434.989 4.068 40 0 IIABRN CC[C@@H](C)N1C(=O)[C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@H]2C1=O ZINC000103458669 557315450 /nfs/dbraw/zinc/31/54/50/557315450.db2.gz VTIPBHAMWXBXQO-ADDUHUFJSA-N 0 0 434.923 4.207 40 0 IIABRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 ZINC000023691812 557317003 /nfs/dbraw/zinc/31/70/03/557317003.db2.gz FWTKUBXNRGLWTD-UHFFFAOYSA-N 0 0 449.894 4.265 40 0 IIABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501112 557324530 /nfs/dbraw/zinc/32/45/30/557324530.db2.gz JPIQVNCOFSTADM-JOCHJYFZSA-N 0 0 446.555 4.360 40 0 IIABRN COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)c(OC)c1 ZINC000013496248 557326441 /nfs/dbraw/zinc/32/64/41/557326441.db2.gz IMQKKWBFGJRWQB-XMMPIXPASA-N 0 0 433.556 4.343 40 0 IIABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCC[C@@H](C)C4)n21)CC[C@H](C)C3 ZINC000013499812 557329183 /nfs/dbraw/zinc/32/91/83/557329183.db2.gz DZBVTWJMNSCKMI-UONOGXRCSA-N 0 0 443.642 4.377 40 0 IIABRN Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2cccc(C)c2C)s1 ZINC000013512391 557333371 /nfs/dbraw/zinc/33/33/71/557333371.db2.gz QFOBSILDECKGIR-UHFFFAOYSA-N 0 0 440.554 4.343 40 0 IIABRN CCOc1cc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000101114880 557333370 /nfs/dbraw/zinc/33/33/70/557333370.db2.gz RJMNYYGBCXEPKN-HJOGWXRNSA-N 0 0 444.487 4.150 40 0 IIABRN Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)OCCO3)n1Cc1ccco1 ZINC000013512605 557333575 /nfs/dbraw/zinc/33/35/75/557333575.db2.gz YTRZDYNTHLYWFD-UHFFFAOYSA-N 0 0 437.477 4.234 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1cccnc1 ZINC000013513199 557334340 /nfs/dbraw/zinc/33/43/40/557334340.db2.gz QUKPHCYMCVISIR-CALCHBBNSA-N 0 0 437.569 4.220 40 0 IIABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O ZINC000222385042 557337307 /nfs/dbraw/zinc/33/73/07/557337307.db2.gz LAUXTVKPLUHPBW-UHFFFAOYSA-N 0 0 448.588 4.468 40 0 IIABRN C[C@@H](NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1 ZINC000222386995 557337553 /nfs/dbraw/zinc/33/75/53/557337553.db2.gz CSNMDUNJBUNUCX-QGZVFWFLSA-N 0 0 426.513 4.283 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222442677 557340250 /nfs/dbraw/zinc/34/02/50/557340250.db2.gz ABYNCQMZSDNHFK-XMMPIXPASA-N 0 0 440.584 4.495 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N(C)C(=O)OC(C)(C)C)cc1 ZINC000072214508 557341489 /nfs/dbraw/zinc/34/14/89/557341489.db2.gz CSSIFDSRYKOAOR-IBGZPJMESA-N 0 0 431.558 4.287 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000222473353 557342144 /nfs/dbraw/zinc/34/21/44/557342144.db2.gz HFOJAMHGKROVJK-RDPSFJRHSA-N 0 0 440.584 4.413 40 0 IIABRN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ncoc1-c1ccc2ccccc2c1 ZINC000013565461 557342348 /nfs/dbraw/zinc/34/23/48/557342348.db2.gz MYVBKRNTDOPVCA-UHFFFAOYSA-N 0 0 427.460 4.220 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000222479770 557342406 /nfs/dbraw/zinc/34/24/06/557342406.db2.gz YTIHBMMAVCVNGY-REWPJTCUSA-N 0 0 440.584 4.413 40 0 IIABRN Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N(C(C)C)C(C)C)CC3)c(=O)c2c1C ZINC000013566338 557344213 /nfs/dbraw/zinc/34/42/13/557344213.db2.gz MFJMIHURAQVOBP-UHFFFAOYSA-N 0 0 444.645 4.235 40 0 IIABRN C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1Br ZINC000013566917 557345748 /nfs/dbraw/zinc/34/57/48/557345748.db2.gz VEMZRRHCNGCWLI-HOCLYGCPSA-N 0 0 441.325 4.445 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222507550 557346157 /nfs/dbraw/zinc/34/61/57/557346157.db2.gz SYYBYUFDOPETBF-IBGZPJMESA-N 0 0 442.940 4.450 40 0 IIABRN CN(c1ccc(C(=O)NCCSCc2cccc(Cl)c2)c(Cl)c1)S(C)(=O)=O ZINC000222510925 557346457 /nfs/dbraw/zinc/34/64/57/557346457.db2.gz BQJHFJWEOQSQNH-UHFFFAOYSA-N 0 0 447.409 4.052 40 0 IIABRN CN(c1ccc(C(=O)NCCSCc2ccc(Cl)cc2)c(Cl)c1)S(C)(=O)=O ZINC000222511015 557346773 /nfs/dbraw/zinc/34/67/73/557346773.db2.gz MHDWFYWIHVEHLB-UHFFFAOYSA-N 0 0 447.409 4.052 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222511897 557346776 /nfs/dbraw/zinc/34/67/76/557346776.db2.gz IIIGZPHYHXPKMP-KPZWWZAWSA-N 0 0 430.904 4.040 40 0 IIABRN CN(c1cccc(C(=O)NCCSc2ccccc2)c1)S(=O)(=O)c1ccccc1 ZINC000222529427 557347828 /nfs/dbraw/zinc/34/78/28/557347828.db2.gz YWAXTJBIIUGXDC-UHFFFAOYSA-N 0 0 426.563 4.034 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cccc(C)c1C ZINC000222538755 557348540 /nfs/dbraw/zinc/34/85/40/557348540.db2.gz SGOGXVCJYVEEFU-DEOSSOPVSA-N 0 0 448.538 4.207 40 0 IIABRN CN(c1ccc(OCC(=O)NC2CCCCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584845 557349589 /nfs/dbraw/zinc/34/95/89/557349589.db2.gz NEHKDSQHIPKIRI-UHFFFAOYSA-N 0 0 430.570 4.120 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000013584734 557349596 /nfs/dbraw/zinc/34/95/96/557349596.db2.gz OQNRFLRVMPMXAU-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN CSc1nnc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)s1 ZINC000222554770 557351003 /nfs/dbraw/zinc/35/10/03/557351003.db2.gz WEJFKEVWSXVGBD-GOSISDBHSA-N 0 0 442.591 4.287 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC ZINC000222555310 557351066 /nfs/dbraw/zinc/35/10/66/557351066.db2.gz LSHYMNBAEPNWNA-LJQANCHMSA-N 0 0 432.948 4.059 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccc(Cl)cc2C)cc1 ZINC000044802787 557351792 /nfs/dbraw/zinc/35/17/92/557351792.db2.gz XTEOBOYADGNELL-UHFFFAOYSA-N 0 0 434.989 4.411 40 0 IIABRN Cc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000044792563 557351850 /nfs/dbraw/zinc/35/18/50/557351850.db2.gz NMJNPYQZWYKTCX-UHFFFAOYSA-N 0 0 442.968 4.469 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000222561569 557352302 /nfs/dbraw/zinc/35/23/02/557352302.db2.gz ACGMELOXGPEOPU-AVRDEDQJSA-N 0 0 430.976 4.483 40 0 IIABRN COc1cc(OC)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br ZINC000222563222 557352767 /nfs/dbraw/zinc/35/27/67/557352767.db2.gz LFZRTKMXMDVSQW-UZCIPKQKSA-N 0 0 434.359 4.451 40 0 IIABRN COc1cc(OC)c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br ZINC000222563409 557352822 /nfs/dbraw/zinc/35/28/22/557352822.db2.gz LFZRTKMXMDVSQW-NBHSMZAVSA-N 0 0 434.359 4.451 40 0 IIABRN COCCn1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCC2(CCCCC2)C1 ZINC000013563239 557353480 /nfs/dbraw/zinc/35/34/80/557353480.db2.gz DXSSHAHCKAHNAP-LJQANCHMSA-N 0 0 437.510 4.474 40 0 IIABRN COc1cc(Br)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC ZINC000222576046 557355056 /nfs/dbraw/zinc/35/50/56/557355056.db2.gz KDSPSWGODBGXQA-MZPVMMEZSA-N 0 0 434.359 4.451 40 0 IIABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000222587195 557356762 /nfs/dbraw/zinc/35/67/62/557356762.db2.gz UKLDNZLJPFNLKS-UHFFFAOYSA-N 0 0 434.517 4.100 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000222599262 557359099 /nfs/dbraw/zinc/35/90/99/557359099.db2.gz KUSPDXCCNTVZSF-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222602858 557360143 /nfs/dbraw/zinc/36/01/43/557360143.db2.gz PKXCLUXTDCZPOF-RXVVDRJESA-N 0 0 430.976 4.483 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000222630021 557365243 /nfs/dbraw/zinc/36/52/43/557365243.db2.gz WNRJGLFJEFMLLI-GRVPHDJPSA-N 0 0 436.533 4.414 40 0 IIABRN CCc1ccc(N(CCCC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000222640976 557367396 /nfs/dbraw/zinc/36/73/96/557367396.db2.gz CKGWTOIUGPTZBH-UHFFFAOYSA-N 0 0 443.396 4.418 40 0 IIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222646773 557368057 /nfs/dbraw/zinc/36/80/57/557368057.db2.gz XOLDSLBBFLKWRG-SFHVURJKSA-N 0 0 443.547 4.132 40 0 IIABRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000222667648 557371078 /nfs/dbraw/zinc/37/10/78/557371078.db2.gz VQVNGUNVPGJFGY-KRWDZBQOSA-N 0 0 437.005 4.332 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000222682857 557373475 /nfs/dbraw/zinc/37/34/75/557373475.db2.gz DGZPGIBKRPWPSJ-SFHVURJKSA-N 0 0 436.533 4.152 40 0 IIABRN Cc1ccccc1CN(C(=O)CCc1ccc2c(c1)OCCO2)[C@@H](C)C(=O)NC(C)(C)C ZINC000222707796 557377006 /nfs/dbraw/zinc/37/70/06/557377006.db2.gz QAACYXAMRDFJLX-IBGZPJMESA-N 0 0 438.568 4.031 40 0 IIABRN COc1ccc(CC(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)cc1 ZINC000072345076 557377448 /nfs/dbraw/zinc/37/74/48/557377448.db2.gz UIQNOYNTXCUMLP-UHFFFAOYSA-N 0 0 448.588 4.303 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Cl ZINC000222716912 557378452 /nfs/dbraw/zinc/37/84/52/557378452.db2.gz FBBXXGPCRXSGJQ-GFCCVEGCSA-N 0 0 429.731 4.189 40 0 IIABRN COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113886430 557378536 /nfs/dbraw/zinc/37/85/36/557378536.db2.gz HETZSTDWRNNXDR-UHFFFAOYSA-N 0 0 442.242 4.381 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(OC)cc3)C2)cc1 ZINC000072346055 557378584 /nfs/dbraw/zinc/37/85/84/557378584.db2.gz ICFLCPXZSGRHNH-HXUWFJFHSA-N 0 0 446.551 4.082 40 0 IIABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222727139 557379866 /nfs/dbraw/zinc/37/98/66/557379866.db2.gz ZOBHLIMPZXATFQ-IBGZPJMESA-N 0 0 446.975 4.067 40 0 IIABRN CC(C)C(NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)C(C)C ZINC000113941052 557380166 /nfs/dbraw/zinc/38/01/66/557380166.db2.gz NFZINOYUPGDJQN-UHFFFAOYSA-N 0 0 440.968 4.471 40 0 IIABRN CCc1ccc(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000113961385 557382310 /nfs/dbraw/zinc/38/23/10/557382310.db2.gz WROJZFOFAGLFBH-UHFFFAOYSA-N 0 0 428.476 4.453 40 0 IIABRN CCOc1ccc(N(CCCC(=O)N[C@@H](CC)c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000113962516 557382453 /nfs/dbraw/zinc/38/24/53/557382453.db2.gz SVYFUFKXSLYMTE-QFIPXVFZSA-N 0 0 432.586 4.207 40 0 IIABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1 ZINC000222762211 557383823 /nfs/dbraw/zinc/38/38/23/557383823.db2.gz OHKNUVMTHFYAOS-NRFANRHFSA-N 0 0 430.548 4.014 40 0 IIABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1 ZINC000222766195 557384533 /nfs/dbraw/zinc/38/45/33/557384533.db2.gz DIYFZPJIBYGYJJ-JOCHJYFZSA-N 0 0 444.575 4.404 40 0 IIABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)C1CCC(CNS(=O)(=O)c3ccccc3)CC1)C2 ZINC000013691562 557386917 /nfs/dbraw/zinc/38/69/17/557386917.db2.gz AZRSUKPQWZSIBP-VTVQOIPASA-N 0 0 432.630 4.199 40 0 IIABRN COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(OC)c2)cc1 ZINC000072377004 557389101 /nfs/dbraw/zinc/38/91/01/557389101.db2.gz RBGNCNUCXTUKBF-QHCPKHFHSA-N 0 0 446.551 4.429 40 0 IIABRN COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000072377145 557389286 /nfs/dbraw/zinc/38/92/86/557389286.db2.gz AEJZBQOTUFUKHE-JOCHJYFZSA-N 0 0 445.523 4.060 40 0 IIABRN O=C(NCc1ccc2ccccc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000222823192 557390337 /nfs/dbraw/zinc/39/03/37/557390337.db2.gz FGWPKEMPANXRLQ-HXUWFJFHSA-N 0 0 442.968 4.210 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1C ZINC000013870601 557391453 /nfs/dbraw/zinc/39/14/53/557391453.db2.gz OPMDOJYLWSIIKI-ZDUSSCGKSA-N 0 0 432.933 4.348 40 0 IIABRN CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000013870933 557392091 /nfs/dbraw/zinc/39/20/91/557392091.db2.gz HNVYYGPMMQIQTN-HNNXBMFYSA-N 0 0 430.961 4.500 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1cc(Cl)ccc1Cl ZINC000222844145 557392968 /nfs/dbraw/zinc/39/29/68/557392968.db2.gz ZKWJMORKDBMXDG-UHFFFAOYSA-N 0 0 437.348 4.229 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSc1ccc(C)cc1 ZINC000222851028 557393893 /nfs/dbraw/zinc/39/38/93/557393893.db2.gz XUBJBYHCCGRWHD-QFIPXVFZSA-N 0 0 428.598 4.428 40 0 IIABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222850248 557394014 /nfs/dbraw/zinc/39/40/14/557394014.db2.gz NRQYFNHOKAZSLT-IBGZPJMESA-N 0 0 436.939 4.453 40 0 IIABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(OC)c3)n2CC)cc1 ZINC000013842251 557395021 /nfs/dbraw/zinc/39/50/21/557395021.db2.gz QLTDZIHZHSXYGM-UHFFFAOYSA-N 0 0 426.542 4.179 40 0 IIABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000222859359 557395286 /nfs/dbraw/zinc/39/52/86/557395286.db2.gz RHAVAFMWSOMTMS-GOSISDBHSA-N 0 0 440.540 4.461 40 0 IIABRN CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(OC)cc2)n1CC ZINC000013845287 557395588 /nfs/dbraw/zinc/39/55/88/557395588.db2.gz QKDIXHWLXGRTHZ-UHFFFAOYSA-N 0 0 426.542 4.179 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000222866205 557395863 /nfs/dbraw/zinc/39/58/63/557395863.db2.gz UPPQNYYPAMGSTR-ZDUSSCGKSA-N 0 0 429.369 4.199 40 0 IIABRN Cc1ccc(-c2noc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3cccc(C)c3)n2)cc1 ZINC000222874492 557396746 /nfs/dbraw/zinc/39/67/46/557396746.db2.gz WBNPTDRMALQCTQ-STZFKDTASA-N 0 0 442.475 4.034 40 0 IIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000013995439 557402006 /nfs/dbraw/zinc/40/20/06/557402006.db2.gz BABNQVHHZMFJMH-QKKBWIMNSA-N 0 0 439.537 4.370 40 0 IIABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000222922009 557403134 /nfs/dbraw/zinc/40/31/34/557403134.db2.gz SNIORDBAERLFOF-SFHVURJKSA-N 0 0 444.597 4.169 40 0 IIABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NCCC(C)C)cc1 ZINC000222957402 557408204 /nfs/dbraw/zinc/40/82/04/557408204.db2.gz XIHRMHGBILNRJE-SFHVURJKSA-N 0 0 446.975 4.307 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000222960515 557408523 /nfs/dbraw/zinc/40/85/23/557408523.db2.gz RVBILNNLZLWUTI-AOMKIAJQSA-N 0 0 432.561 4.127 40 0 IIABRN Cc1cc(C)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c(C)c1 ZINC000222962084 557408759 /nfs/dbraw/zinc/40/87/59/557408759.db2.gz KOBSPCXYFGAPFR-IBGZPJMESA-N 0 0 428.598 4.134 40 0 IIABRN C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222982363 557411016 /nfs/dbraw/zinc/41/10/16/557411016.db2.gz CKCVGDGAYULPHZ-IBGZPJMESA-N 0 0 440.609 4.372 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cccc(C)c1)S(C)(=O)=O ZINC000222986309 557412306 /nfs/dbraw/zinc/41/23/06/557412306.db2.gz ZUXVDPKIQNOVML-MBSDFSHPSA-N 0 0 428.598 4.296 40 0 IIABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222993072 557413382 /nfs/dbraw/zinc/41/33/82/557413382.db2.gz MHTYXABDPSUTQD-QFIPXVFZSA-N 0 0 444.575 4.404 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC ZINC000223027439 557417310 /nfs/dbraw/zinc/41/73/10/557417310.db2.gz ZFIAULNQAFXTTL-SJORKVTESA-N 0 0 432.948 4.059 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(OC)cc1 ZINC000223028521 557417571 /nfs/dbraw/zinc/41/75/71/557417571.db2.gz DZWPLZMODJNLPJ-OAQYLSRUSA-N 0 0 440.584 4.496 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223032327 557418504 /nfs/dbraw/zinc/41/85/04/557418504.db2.gz XIVCNPJQPYCPIQ-AWEZNQCLSA-N 0 0 437.765 4.198 40 0 IIABRN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000014091603 557419134 /nfs/dbraw/zinc/41/91/34/557419134.db2.gz RQRKJMFEFBRPSK-UHFFFAOYSA-N 0 0 437.352 4.452 40 0 IIABRN COc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223046171 557420437 /nfs/dbraw/zinc/42/04/37/557420437.db2.gz NAQVWWYZPAEFMF-LJQANCHMSA-N 0 0 426.557 4.023 40 0 IIABRN CCC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000014135400 557422657 /nfs/dbraw/zinc/42/26/57/557422657.db2.gz LPINVRMCAURSOQ-OAHLLOKOSA-N 0 0 443.396 4.489 40 0 IIABRN Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)c1 ZINC000014135985 557423057 /nfs/dbraw/zinc/42/30/57/557423057.db2.gz TYBXLCONSBTQAP-UHFFFAOYSA-N 0 0 434.536 4.194 40 0 IIABRN COC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000014152512 557423328 /nfs/dbraw/zinc/42/33/28/557423328.db2.gz OWQDJFUPQFDEGY-UHFFFAOYSA-N 0 0 437.308 4.296 40 0 IIABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3nccs3)n2)cc1 ZINC000014152963 557423870 /nfs/dbraw/zinc/42/38/70/557423870.db2.gz XNFKBLDADVOYSK-UHFFFAOYSA-N 0 0 426.445 4.358 40 0 IIABRN CC(C)(C)SCCNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000014153586 557424115 /nfs/dbraw/zinc/42/41/15/557424115.db2.gz HGZXOTYBSODALP-UHFFFAOYSA-N 0 0 447.837 4.061 40 0 IIABRN CCCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000014153760 557424198 /nfs/dbraw/zinc/42/41/98/557424198.db2.gz KKOOSRZCHPJGII-UHFFFAOYSA-N 0 0 429.369 4.413 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223064179 557424306 /nfs/dbraw/zinc/42/43/06/557424306.db2.gz OZEOAJFVYANXGV-CQSZACIVSA-N 0 0 437.765 4.198 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223081602 557427941 /nfs/dbraw/zinc/42/79/41/557427941.db2.gz CYUHLJKGOXQHOS-CQSZACIVSA-N 0 0 437.765 4.198 40 0 IIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c(F)c1F ZINC000014271315 557430588 /nfs/dbraw/zinc/43/05/88/557430588.db2.gz FSGXXFFJSUURGP-UHFFFAOYSA-N 0 0 441.450 4.369 40 0 IIABRN C[C@@H]1Cc2cc(Br)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O ZINC000223103319 557431598 /nfs/dbraw/zinc/43/15/98/557431598.db2.gz LSMYTJVXLXZSNL-LLVKDONJSA-N 0 0 431.717 4.465 40 0 IIABRN COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c(OC)c1 ZINC000223105595 557432037 /nfs/dbraw/zinc/43/20/37/557432037.db2.gz SNXGUVSSUYQEBN-NSHDSACASA-N 0 0 443.297 4.151 40 0 IIABRN CC[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223109508 557432720 /nfs/dbraw/zinc/43/27/20/557432720.db2.gz VWWFCVLNZMUEFG-QHCPKHFHSA-N 0 0 428.598 4.234 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cc(C)cc(C)c1 ZINC000223111449 557432998 /nfs/dbraw/zinc/43/29/98/557432998.db2.gz IDZGKJYCJZUMCX-UHFFFAOYSA-N 0 0 430.570 4.058 40 0 IIABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000014273341 557433042 /nfs/dbraw/zinc/43/30/42/557433042.db2.gz KOZDBWKJIJMKDN-VUQUXZKVSA-N 0 0 449.370 4.395 40 0 IIABRN CCCN1c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2S(=O)(=O)N=C1C ZINC000223112299 557433285 /nfs/dbraw/zinc/43/32/85/557433285.db2.gz XPCLLMSWSBSJKL-UHFFFAOYSA-N 0 0 425.432 4.295 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccc(OC)cc1 ZINC000223119170 557434164 /nfs/dbraw/zinc/43/41/64/557434164.db2.gz LVMGFNBUROBKCT-MOPGFXCFSA-N 0 0 444.547 4.325 40 0 IIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC ZINC000223126732 557435401 /nfs/dbraw/zinc/43/54/01/557435401.db2.gz ODNCNLKIQDWRHM-QFIPXVFZSA-N 0 0 430.976 4.233 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223127815 557435776 /nfs/dbraw/zinc/43/57/76/557435776.db2.gz GNXFZYCTOMYBNF-OAQYLSRUSA-N 0 0 440.584 4.496 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000223128760 557435949 /nfs/dbraw/zinc/43/59/49/557435949.db2.gz QKCAUYMDAFBZQG-RUZDIDTESA-N 0 0 444.575 4.458 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223136309 557437324 /nfs/dbraw/zinc/43/73/24/557437324.db2.gz OWJXWAOHCNVLHV-NRFANRHFSA-N 0 0 432.948 4.061 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000223175504 557441742 /nfs/dbraw/zinc/44/17/42/557441742.db2.gz FIZFZVJFWNMSKY-AREMUKBSSA-N 0 0 444.575 4.458 40 0 IIABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000223190578 557443646 /nfs/dbraw/zinc/44/36/46/557443646.db2.gz SOONLIPCWKLDIY-AREMUKBSSA-N 0 0 448.538 4.153 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000014412654 557444867 /nfs/dbraw/zinc/44/48/67/557444867.db2.gz HSRRDYLFYAHSFS-UHFFFAOYSA-N 0 0 441.258 4.417 40 0 IIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOC(C)C ZINC000223199610 557445216 /nfs/dbraw/zinc/44/52/16/557445216.db2.gz SLFLTHBNVLJXDC-XMMPIXPASA-N 0 0 442.575 4.497 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC000223203012 557445441 /nfs/dbraw/zinc/44/54/41/557445441.db2.gz HGFHACZOINRZGG-DLBZAZTESA-N 0 0 431.374 4.324 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 ZINC000223201589 557445452 /nfs/dbraw/zinc/44/54/52/557445452.db2.gz DKLOLWIXOGWANU-SJORKVTESA-N 0 0 447.373 4.160 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000014414619 557445621 /nfs/dbraw/zinc/44/56/21/557445621.db2.gz MKDAVWDDWLNOAR-UHFFFAOYSA-N 0 0 449.016 4.469 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223210267 557446411 /nfs/dbraw/zinc/44/64/11/557446411.db2.gz ALSCSMWMDBIPDX-YCRPNKLZSA-N 0 0 434.989 4.251 40 0 IIABRN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc2c(c1)OCO2 ZINC000014671806 557449046 /nfs/dbraw/zinc/44/90/46/557449046.db2.gz RNTCATYEHNAUJP-BSEYFRJRSA-N 0 0 436.533 4.289 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223245952 557450811 /nfs/dbraw/zinc/45/08/11/557450811.db2.gz IHIFOVIYHHZCKX-FQEVSTJZSA-N 0 0 444.597 4.268 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F ZINC000223257832 557451820 /nfs/dbraw/zinc/45/18/20/557451820.db2.gz ISZFQRPSKFOOLM-JKSUJKDBSA-N 0 0 449.364 4.463 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 ZINC000014739390 557451953 /nfs/dbraw/zinc/45/19/53/557451953.db2.gz DWDHERXTFIZGRR-UHFFFAOYSA-N 0 0 430.570 4.166 40 0 IIABRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000223261337 557452328 /nfs/dbraw/zinc/45/23/28/557452328.db2.gz FDYCELQDVQLRIT-MRXNPFEDSA-N 0 0 426.582 4.323 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223269381 557453880 /nfs/dbraw/zinc/45/38/80/557453880.db2.gz KQVBWHSJKUTCBF-RUZDIDTESA-N 0 0 445.563 4.147 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223284818 557455700 /nfs/dbraw/zinc/45/57/00/557455700.db2.gz UIFNCHRIMCEHKM-LJQANCHMSA-N 0 0 446.613 4.387 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223284458 557455823 /nfs/dbraw/zinc/45/58/23/557455823.db2.gz FMWVFSXUSLJRNK-SFHVURJKSA-N 0 0 432.586 4.079 40 0 IIABRN O=C(CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)Nc1ccc(F)cc1 ZINC000015049430 557457618 /nfs/dbraw/zinc/45/76/18/557457618.db2.gz STMSCAOZTXOVBP-DHDCSXOGSA-N 0 0 435.274 4.263 40 0 IIABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 ZINC000223351392 557461379 /nfs/dbraw/zinc/46/13/79/557461379.db2.gz YETKUWZVQDYVBY-VQIMIIECSA-N 0 0 448.560 4.179 40 0 IIABRN CCOc1ccc(C(=O)N2c3ccc(S(=O)(=O)Nc4ccccc4)cc3C[C@@H]2C)cc1 ZINC000223378331 557464802 /nfs/dbraw/zinc/46/48/02/557464802.db2.gz FBRXOVMUYWXKGT-KRWDZBQOSA-N 0 0 436.533 4.478 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000223394701 557466317 /nfs/dbraw/zinc/46/63/17/557466317.db2.gz WTYFVAFACWSHBX-OAHLLOKOSA-N 0 0 430.551 4.073 40 0 IIABRN Cc1ccccc1N(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1ccncc1 ZINC000015935709 557467147 /nfs/dbraw/zinc/46/71/47/557467147.db2.gz LOXSAWPMJKUJBB-VWLOTQADSA-N 0 0 436.515 4.490 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000015936175 557467539 /nfs/dbraw/zinc/46/75/39/557467539.db2.gz MIGQCEPDAXWKMX-JOCHJYFZSA-N 0 0 446.507 4.382 40 0 IIABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223419113 557469956 /nfs/dbraw/zinc/46/99/56/557469956.db2.gz AVOKCTTZIPCBOO-FGZHOGPDSA-N 0 0 428.960 4.361 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223439848 557472293 /nfs/dbraw/zinc/47/22/93/557472293.db2.gz OXZOJURBJGJYPI-NRFANRHFSA-N 0 0 444.597 4.268 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1cccnc1 ZINC000223448738 557473007 /nfs/dbraw/zinc/47/30/07/557473007.db2.gz FOGCFJFUBLKCIZ-IRXDYDNUSA-N 0 0 431.384 4.473 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cccc(C)c1 ZINC000223450799 557473213 /nfs/dbraw/zinc/47/32/13/557473213.db2.gz BSZZWEJTFRUYJP-RUZDIDTESA-N 0 0 448.538 4.289 40 0 IIABRN COc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C(C)C ZINC000223453994 557473821 /nfs/dbraw/zinc/47/38/21/557473821.db2.gz IFKZMEXTOWFJKZ-UHFFFAOYSA-N 0 0 435.933 4.309 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C ZINC000223459248 557474724 /nfs/dbraw/zinc/47/47/24/557474724.db2.gz ZVPBYAICMYVBRK-HXUWFJFHSA-N 0 0 428.598 4.031 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C ZINC000223467581 557475406 /nfs/dbraw/zinc/47/54/06/557475406.db2.gz LYLCNXGGGCKSSG-FQEVSTJZSA-N 0 0 426.557 4.024 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1C ZINC000223479196 557476928 /nfs/dbraw/zinc/47/69/28/557476928.db2.gz APSLABPURCBGDY-IBGZPJMESA-N 0 0 432.586 4.042 40 0 IIABRN C[C@H](CNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000223478736 557476932 /nfs/dbraw/zinc/47/69/32/557476932.db2.gz MLQXRWSORDBXIA-GOSISDBHSA-N 0 0 442.968 4.455 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1C ZINC000223485091 557477787 /nfs/dbraw/zinc/47/77/87/557477787.db2.gz HACWZJKAWLMATC-QGZVFWFLSA-N 0 0 438.540 4.314 40 0 IIABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000223503920 557479973 /nfs/dbraw/zinc/47/99/73/557479973.db2.gz OCNDHSRYHURIST-UHFFFAOYSA-N 0 0 446.931 4.033 40 0 IIABRN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223518216 557481781 /nfs/dbraw/zinc/48/17/81/557481781.db2.gz NDVPLTXBZCDNFM-LJQANCHMSA-N 0 0 442.503 4.183 40 0 IIABRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223547895 557484282 /nfs/dbraw/zinc/48/42/82/557484282.db2.gz AIROELMSVWIUEY-ZEQRLZLVSA-N 0 0 441.560 4.449 40 0 IIABRN CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 ZINC000017096008 557487692 /nfs/dbraw/zinc/48/76/92/557487692.db2.gz CATZXJPNZASRGB-UHFFFAOYSA-N 0 0 428.539 4.170 40 0 IIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(Br)o2)cc1 ZINC000017096293 557488178 /nfs/dbraw/zinc/48/81/78/557488178.db2.gz ZQKWIXXJGPLBKS-UHFFFAOYSA-N 0 0 429.270 4.461 40 0 IIABRN COc1ccc([C@@H]2N=C(Nc3cccc(C(F)(F)F)c3)Nc3nc(C)cc(=O)n32)cc1 ZINC000017096391 557488563 /nfs/dbraw/zinc/48/85/63/557488563.db2.gz LVXRMKNJEPTOSS-GOSISDBHSA-N 0 0 429.402 4.020 40 0 IIABRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)cc4)c3)nn12 ZINC000017100584 557489064 /nfs/dbraw/zinc/48/90/64/557489064.db2.gz PCPBFNLQUOQTSA-UHFFFAOYSA-N 0 0 436.566 4.159 40 0 IIABRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O ZINC000096590671 557497045 /nfs/dbraw/zinc/49/70/45/557497045.db2.gz KGFDHSOJFCPYMI-LBPRGKRZSA-N 0 0 437.721 4.411 40 0 IIABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc4C3)cc2c1 ZINC000019220814 557498071 /nfs/dbraw/zinc/49/80/71/557498071.db2.gz CBJHLJRYTSEVFE-XMMPIXPASA-N 0 0 440.551 4.086 40 0 IIABRN CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC000223659470 557498561 /nfs/dbraw/zinc/49/85/61/557498561.db2.gz PPWPNNRZBAXUPI-UHFFFAOYSA-N 0 0 426.376 4.245 40 0 IIABRN Fc1ccccc1N1CCN([C@H](c2cccs2)c2nnnn2C2CCCCC2)CC1 ZINC000019349884 557499187 /nfs/dbraw/zinc/49/91/87/557499187.db2.gz HBBHRSOBKIUCSZ-OAQYLSRUSA-N 0 0 426.565 4.291 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223671818 557500025 /nfs/dbraw/zinc/50/00/25/557500025.db2.gz SCRKRRRZOODFEM-OAQYLSRUSA-N 0 0 446.975 4.450 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000019528393 557501972 /nfs/dbraw/zinc/50/19/72/557501972.db2.gz QAFYVBQVNDAJLC-MATUZCBOSA-N 0 0 434.580 4.306 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000223686567 557502122 /nfs/dbraw/zinc/50/21/22/557502122.db2.gz NVIREWXGODWUFT-DNQXCXABSA-N 0 0 448.592 4.084 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cccc2ccccc21 ZINC000223700101 557503642 /nfs/dbraw/zinc/50/36/42/557503642.db2.gz WPWNCRXDUQUVGU-UHFFFAOYSA-N 0 0 445.544 4.230 40 0 IIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 ZINC000223747469 557508610 /nfs/dbraw/zinc/50/86/10/557508610.db2.gz PNWHKUVVLDGGKM-XZOQPEGZSA-N 0 0 427.533 4.453 40 0 IIABRN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(Cl)cc1 ZINC000223755753 557509292 /nfs/dbraw/zinc/50/92/92/557509292.db2.gz CHVDCGGMKDEYTN-UHFFFAOYSA-N 0 0 440.905 4.081 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Br ZINC000019946124 557510861 /nfs/dbraw/zinc/51/08/61/557510861.db2.gz OKTUUMBTXFTJGI-UHFFFAOYSA-N 0 0 445.338 4.283 40 0 IIABRN CC(C)c1ccccc1OCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000223772018 557511248 /nfs/dbraw/zinc/51/12/48/557511248.db2.gz XPVPZSQXZDJMHR-UHFFFAOYSA-N 0 0 446.613 4.069 40 0 IIABRN CSc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)N1CCC(C)CC1 ZINC000223791593 557513815 /nfs/dbraw/zinc/51/38/15/557513815.db2.gz SDCOCTXJZKYHPS-KRWDZBQOSA-N 0 0 444.622 4.421 40 0 IIABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223802442 557515047 /nfs/dbraw/zinc/51/50/47/557515047.db2.gz HYMWDKAEAHMILR-QFIPXVFZSA-N 0 0 446.613 4.167 40 0 IIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCN1CCOCC1 ZINC000020113480 557515498 /nfs/dbraw/zinc/51/54/98/557515498.db2.gz SOVVOZGIBCKCDI-VDGJRLBASA-N 0 0 431.617 4.232 40 0 IIABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1NC(C)=O ZINC000223825469 557517569 /nfs/dbraw/zinc/51/75/69/557517569.db2.gz KQGIDAQLMRUJJI-UHFFFAOYSA-N 0 0 429.361 4.239 40 0 IIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223827955 557517840 /nfs/dbraw/zinc/51/78/40/557517840.db2.gz HYOABLPSBFVCEX-SFHVURJKSA-N 0 0 446.975 4.451 40 0 IIABRN Cc1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020235198 557518508 /nfs/dbraw/zinc/51/85/08/557518508.db2.gz WFWADIXZQWLNAM-UHFFFAOYSA-N 0 0 436.577 4.432 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223834472 557518650 /nfs/dbraw/zinc/51/86/50/557518650.db2.gz CYDIFERNRMULNF-QGZVFWFLSA-N 0 0 446.975 4.233 40 0 IIABRN O=C(OCc1ccccc1I)c1snnc1-c1cccs1 ZINC000223847295 557520328 /nfs/dbraw/zinc/52/03/28/557520328.db2.gz YOBVANALNDXNNA-UHFFFAOYSA-N 0 0 428.276 4.228 40 0 IIABRN CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 ZINC000020412455 557520814 /nfs/dbraw/zinc/52/08/14/557520814.db2.gz IIKSNMDLWPHDMT-UHFFFAOYSA-N 0 0 443.550 4.389 40 0 IIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1cccnc1 ZINC000223851367 557520977 /nfs/dbraw/zinc/52/09/77/557520977.db2.gz JGYALYFXXZWTKA-GOTSBHOMSA-N 0 0 427.533 4.458 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1 ZINC000223917376 557528472 /nfs/dbraw/zinc/52/84/72/557528472.db2.gz WUIMFKVDGBOILW-FGZHOGPDSA-N 0 0 432.586 4.124 40 0 IIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)s1 ZINC000223920022 557528968 /nfs/dbraw/zinc/52/89/68/557528968.db2.gz HNUUZGHRHFQZOC-YADHBBJMSA-N 0 0 436.606 4.465 40 0 IIABRN COC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)ccc1Cl ZINC000223922245 557529218 /nfs/dbraw/zinc/52/92/18/557529218.db2.gz RWIZBUOOQKPGMX-UHFFFAOYSA-N 0 0 444.896 4.180 40 0 IIABRN Cc1cccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1C ZINC000223928399 557530060 /nfs/dbraw/zinc/53/00/60/557530060.db2.gz ZOLZNNGPKRADHK-UHFFFAOYSA-N 0 0 438.549 4.221 40 0 IIABRN S=C(NCc1ccc(Cl)cc1)Nc1ncc(Br)nc1Br ZINC000223929734 557530263 /nfs/dbraw/zinc/53/02/63/557530263.db2.gz BMHPBFDNDXQIMQ-UHFFFAOYSA-N 0 0 436.560 4.142 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(C)c(C)c3)cc2)cc1 ZINC000223931093 557530549 /nfs/dbraw/zinc/53/05/49/557530549.db2.gz MAFSGIKKSVKXLX-UHFFFAOYSA-N 0 0 438.549 4.221 40 0 IIABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21 ZINC000223935840 557531037 /nfs/dbraw/zinc/53/10/37/557531037.db2.gz LALMLTLPLQABOL-UHFFFAOYSA-N 0 0 432.545 4.054 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)c1C ZINC000223945396 557532520 /nfs/dbraw/zinc/53/25/20/557532520.db2.gz JCIBQOOIWPJLIR-UHFFFAOYSA-N 0 0 438.549 4.221 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000223945285 557532531 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CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(S(=O)(=O)NC)cc3)ccc21 ZINC000015600152 569225573 /nfs/dbraw/zinc/22/55/73/569225573.db2.gz KYQCHQJZLYGWOT-UHFFFAOYSA-N 0 0 435.549 4.294 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000018077339 569225970 /nfs/dbraw/zinc/22/59/70/569225970.db2.gz WJOJBRZJNKCWLQ-UHFFFAOYSA-N 0 0 428.476 4.307 40 0 IIABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cnn5cc(C)cnc45)CC3)c2)cc1 ZINC000019691077 569227565 /nfs/dbraw/zinc/22/75/65/569227565.db2.gz MXVPOIIDMPGJFH-UHFFFAOYSA-N 0 0 441.535 4.437 40 0 IIABRN CNc1nc(C)c(C(=O)N2CCO[C@@H](c3ccc(Cc4cccc(Cl)c4)cn3)C2)s1 ZINC000019692284 569227931 /nfs/dbraw/zinc/22/79/31/569227931.db2.gz RXBIEXVORADAQX-LJQANCHMSA-N 0 0 442.972 4.346 40 0 IIABRN Cc1ncsc1C(=O)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000019693113 569228590 /nfs/dbraw/zinc/22/85/90/569228590.db2.gz HLIYKXLYFJGXCE-HNNXBMFYSA-N 0 0 434.443 4.141 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)Cc1cccs1 ZINC000019696417 569229828 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IIABRN Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013504597 132348338 /nfs/dbraw/zinc/34/83/38/132348338.db2.gz WSXMVSFUDOBZIB-VWLOTQADSA-N 0 0 442.542 4.081 40 0 IIABRN Cc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678435 132353075 /nfs/dbraw/zinc/35/30/75/132353075.db2.gz DSPPTHHCGSESLM-NRFANRHFSA-N 0 0 442.924 4.243 40 0 IIABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)Oc2ccccc21 ZINC000013682973 132353330 /nfs/dbraw/zinc/35/33/30/132353330.db2.gz JUUAZKQWOVLALP-QFIPXVFZSA-N 0 0 438.505 4.035 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1cccs1)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871833 518746675 /nfs/dbraw/zinc/74/66/75/518746675.db2.gz LMDBBXORSCTZOO-QGZVFWFLSA-N 0 0 432.546 4.037 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000035291140 518748104 /nfs/dbraw/zinc/74/81/04/518748104.db2.gz MOOMLUHNBAQYAM-SFHVURJKSA-N 0 0 430.480 4.119 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cncnc3)cc2N1 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ZQUSAYOXUSWYBN-UHFFFAOYSA-N 0 0 445.567 4.341 40 0 IIABRN CC1CCC(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2cccnc2)CC1 ZINC000012873946 520927991 /nfs/dbraw/zinc/92/79/91/520927991.db2.gz XWGGUPOLMADAQE-INXVGGANSA-N 0 0 449.580 4.012 40 0 IIABRN CCOc1cccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000020456016 521357109 /nfs/dbraw/zinc/35/71/09/521357109.db2.gz DISNRMHFYTXXSF-XMMPIXPASA-N 0 0 436.533 4.383 40 0 IIABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000022251978 521480906 /nfs/dbraw/zinc/48/09/06/521480906.db2.gz XPXPJNFFQPHKJY-UHFFFAOYSA-N 0 0 447.340 4.049 40 0 IIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4cncc(Br)c4)c3)nn12 ZINC000020609678 521574692 /nfs/dbraw/zinc/57/46/92/521574692.db2.gz VSONHUAKAUIIJO-UHFFFAOYSA-N 0 0 443.330 4.215 40 0 IIABRN CCc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)cc1 ZINC000022379755 521865775 /nfs/dbraw/zinc/86/57/75/521865775.db2.gz VNXKXTCCKCMGHP-UHFFFAOYSA-N 0 0 442.512 4.231 40 0 IIABRN COc1cc(C(=O)Nc2ccccc2N2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000035314932 522161533 /nfs/dbraw/zinc/16/15/33/522161533.db2.gz VKFMECXEMHXXDF-UHFFFAOYSA-N 0 0 447.535 4.291 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020457708 522386962 /nfs/dbraw/zinc/38/69/62/522386962.db2.gz NICYZWZRHVNGEW-NRFANRHFSA-N 0 0 426.513 4.289 40 0 IIABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(OC)cc1 ZINC000020458147 522526550 /nfs/dbraw/zinc/52/65/50/522526550.db2.gz HRHFRACFOFJULM-QFIPXVFZSA-N 0 0 430.570 4.059 40 0 IIABRN COc1cc(N)c(Cl)cc1C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1 ZINC000012132411 522625436 /nfs/dbraw/zinc/62/54/36/522625436.db2.gz MWQRYWATFWJWNV-UHFFFAOYSA-N 0 0 429.929 4.276 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022335077 522680275 /nfs/dbraw/zinc/68/02/75/522680275.db2.gz YEFMGMHCJNLGNM-GOSISDBHSA-N 0 0 445.368 4.036 40 0 IIABRN CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020457706 522685792 /nfs/dbraw/zinc/68/57/92/522685792.db2.gz NICYZWZRHVNGEW-OAQYLSRUSA-N 0 0 426.513 4.289 40 0 IIABRN CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nn12 ZINC000020609738 522806102 /nfs/dbraw/zinc/80/61/02/522806102.db2.gz JWIZFGUIUYFNCC-UHFFFAOYSA-N 0 0 428.315 4.430 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3cc(C)cc(C)c3[nH]c1=O)N(C(=O)C1CC1)CC2 ZINC000035313431 523047968 /nfs/dbraw/zinc/04/79/68/523047968.db2.gz WWZRJDJFHNJEGA-XMMPIXPASA-N 0 0 432.520 4.046 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3ccc(C)c(C)c3[nH]c1=O)N(C(=O)C1CC1)CC2 ZINC000035313429 523048181 /nfs/dbraw/zinc/04/81/81/523048181.db2.gz URLDRBDMAKEPLN-XMMPIXPASA-N 0 0 432.520 4.046 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3ccc(C)c(C)c3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035313465 523049516 /nfs/dbraw/zinc/04/95/16/523049516.db2.gz JTIGYZHPUVVQIQ-RUZDIDTESA-N 0 0 446.547 4.436 40 0 IIABRN COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C(C)(C)Oc4ccc(C)cc4)nn3cn2)cc1 ZINC000012085134 523125294 /nfs/dbraw/zinc/12/52/94/523125294.db2.gz SVLWMSMLVGMIDE-QGZVFWFLSA-N 0 0 445.523 4.143 40 0 IIABRN CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1-c1ccncc1 ZINC000016162749 523224713 /nfs/dbraw/zinc/22/47/13/523224713.db2.gz WWMPHNHSQZUBBD-UHFFFAOYSA-N 0 0 446.374 4.470 40 0 IIABRN CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236906 523330652 /nfs/dbraw/zinc/33/06/52/523330652.db2.gz NOLIGDNKVJDMGD-UHFFFAOYSA-N 0 0 429.442 4.003 40 0 IIABRN CCn1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(=O)c2cc(OC)ccc21 ZINC000022236076 523344236 /nfs/dbraw/zinc/34/42/36/523344236.db2.gz XVZTWPUZKGUCHL-CYBMUJFWSA-N 0 0 429.314 4.284 40 0 IIABRN CN(c1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(C)(=O)=O ZINC000020567954 523652904 /nfs/dbraw/zinc/65/29/04/523652904.db2.gz HBVOGHZYXACVAW-UHFFFAOYSA-N 0 0 442.924 4.219 40 0 IIABRN COc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000022537873 523734521 /nfs/dbraw/zinc/73/45/21/523734521.db2.gz XAYWCBHFGOWJSZ-LJQANCHMSA-N 0 0 444.597 4.286 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)cc2n1 ZINC000012257501 523781288 /nfs/dbraw/zinc/78/12/88/523781288.db2.gz XMXPDCGHHRZKHU-AWEZNQCLSA-N 0 0 446.429 4.059 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000022230205 523798538 /nfs/dbraw/zinc/79/85/38/523798538.db2.gz SSNOWLKDTJYMME-FQEVSTJZSA-N 0 0 430.570 4.227 40 0 IIABRN CCc1ccc(NC(=O)c2nnc3c(-c4ccc(OC)c(OC)c4)c(C)nn3c2C)cc1 ZINC000020633554 523992882 /nfs/dbraw/zinc/99/28/82/523992882.db2.gz OMXFHZMKCZCZLZ-UHFFFAOYSA-N 0 0 431.496 4.240 40 0 IIABRN COc1ccc(CN(CCN2CCOCC2)C(=O)c2ccccc2-c2ccccc2)cc1 ZINC000035315227 524011989 /nfs/dbraw/zinc/01/19/89/524011989.db2.gz CXWAFRNSXSDDEJ-UHFFFAOYSA-N 0 0 430.548 4.337 40 0 IIABRN CCc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)c1ccc(OC)cc1)c1nnnn12 ZINC000035290171 524059783 /nfs/dbraw/zinc/05/97/83/524059783.db2.gz QMYXVKBIKYOADY-UHFFFAOYSA-N 0 0 441.491 4.284 40 0 IIABRN COc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(OC)c1OC ZINC000022510509 524066334 /nfs/dbraw/zinc/06/63/34/524066334.db2.gz MXKGKAJBCABCMB-UHFFFAOYSA-N 0 0 432.520 4.205 40 0 IIABRN Cc1cccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)NCc4ccc(F)cc4)cc23)c1 ZINC000021867106 524129677 /nfs/dbraw/zinc/12/96/77/524129677.db2.gz WOFNHNZVYSZASH-UHFFFAOYSA-N 0 0 427.439 4.028 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2cccs2)no1)C(C)C ZINC000022256785 524246877 /nfs/dbraw/zinc/24/68/77/524246877.db2.gz RXLBOVKPXXSNGF-UHFFFAOYSA-N 0 0 427.935 4.059 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C(C)C ZINC000022256586 524248188 /nfs/dbraw/zinc/24/81/88/524248188.db2.gz YBCFQKTVSAOMBJ-UHFFFAOYSA-N 0 0 435.933 4.306 40 0 IIABRN Cc1cc(C)c(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c(C)c1 ZINC000012638035 524276481 /nfs/dbraw/zinc/27/64/81/524276481.db2.gz LOUGKDGAHLOXEK-FQEVSTJZSA-N 0 0 437.569 4.161 40 0 IIABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000022251560 524357672 /nfs/dbraw/zinc/35/76/72/524357672.db2.gz QQESXRRLXZQLBD-UHFFFAOYSA-N 0 0 436.839 4.016 40 0 IIABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428674 524363106 /nfs/dbraw/zinc/36/31/06/524363106.db2.gz RDIAMICICSBTEZ-IBGZPJMESA-N 0 0 438.549 4.076 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2F)c1 ZINC000012868377 524508641 /nfs/dbraw/zinc/50/86/41/524508641.db2.gz WHADWMYXJYLLBV-LJQANCHMSA-N 0 0 426.517 4.288 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2C)cc1 ZINC000035289293 524514039 /nfs/dbraw/zinc/51/40/39/524514039.db2.gz OCSZJEDRYMZIBK-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN COc1ccccc1O[C@H](C)C(=O)NCc1ccc(-c2ncncc2-c2cc(C)no2)cc1 ZINC000012158975 524690270 /nfs/dbraw/zinc/69/02/70/524690270.db2.gz JKZWMIRAMYUDNG-QGZVFWFLSA-N 0 0 444.491 4.199 40 0 IIABRN COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2C(=O)CCC3)cc1 ZINC000020503088 524720117 /nfs/dbraw/zinc/72/01/17/524720117.db2.gz AISANVGJYHUUGD-UHFFFAOYSA-N 0 0 443.551 4.070 40 0 IIABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O ZINC000022336903 524728704 /nfs/dbraw/zinc/72/87/04/524728704.db2.gz TZDHKDVPFOCEFF-UHFFFAOYSA-N 0 0 436.961 4.375 40 0 IIABRN COc1ccccc1[C@H]1CC(=O)c2cn3nc(SCC(=O)c4ccccc4)nc3nc2C1 ZINC000020796476 524804711 /nfs/dbraw/zinc/80/47/11/524804711.db2.gz LVCBRUONSDLSCU-MRXNPFEDSA-N 0 0 444.516 4.021 40 0 IIABRN C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022535613 524946690 /nfs/dbraw/zinc/94/66/90/524946690.db2.gz DBRNFSFZXWLCEW-INIZCTEOSA-N 0 0 436.524 4.166 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022232539 525070040 /nfs/dbraw/zinc/07/00/40/525070040.db2.gz IVNDNSROBXWYAW-UHFFFAOYSA-N 0 0 442.512 4.118 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000022231041 525071550 /nfs/dbraw/zinc/07/15/50/525071550.db2.gz XSAJNIHCUBFXGV-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000022365591 525153984 /nfs/dbraw/zinc/15/39/84/525153984.db2.gz GSTBRNWKLWOJPZ-UHFFFAOYSA-N 0 0 440.924 4.205 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022511963 525174687 /nfs/dbraw/zinc/17/46/87/525174687.db2.gz GYYPNWUVSQKRJY-XMSQKQJNSA-N 0 0 432.586 4.062 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022511970 525175240 /nfs/dbraw/zinc/17/52/40/525175240.db2.gz GYYPNWUVSQKRJY-PGRDOPGGSA-N 0 0 432.586 4.062 40 0 IIABRN Cc1cc(OCC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)ccc1Cl ZINC000012760450 525356007 /nfs/dbraw/zinc/35/60/07/525356007.db2.gz RTVKLQPRLCHMMW-UHFFFAOYSA-N 0 0 437.927 4.081 40 0 IIABRN Cc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000022515477 525422637 /nfs/dbraw/zinc/42/26/37/525422637.db2.gz NLDNXBMMOSMUAB-UHFFFAOYSA-N 0 0 444.940 4.258 40 0 IIABRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000035828565 525436789 /nfs/dbraw/zinc/43/67/89/525436789.db2.gz WTPLCNNGJKQFFS-NYMACZPPSA-N 0 0 438.568 4.319 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccc(C)c(C)c2)cc1 ZINC000020493642 525505156 /nfs/dbraw/zinc/50/51/56/525505156.db2.gz GCZQWVCVIABJOI-UHFFFAOYSA-N 0 0 440.540 4.263 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000020456692 525693636 /nfs/dbraw/zinc/69/36/36/525693636.db2.gz FERCFSNQRNNVEL-QGZVFWFLSA-N 0 0 434.989 4.068 40 0 IIABRN Cc1ccsc1CN(C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000035982578 525834440 /nfs/dbraw/zinc/83/44/40/525834440.db2.gz CIRMXDIICDADJC-HEHGZKQESA-N 0 0 436.426 4.163 40 0 IIABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2csnn2)cc1 ZINC000012638543 525874156 /nfs/dbraw/zinc/87/41/56/525874156.db2.gz NHHMQXPPWYGBLB-HSZRJFAPSA-N 0 0 448.592 4.332 40 0 IIABRN Cc1ccsc1[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)c1csnn1 ZINC000012872579 525886419 /nfs/dbraw/zinc/88/64/19/525886419.db2.gz BGBLSASQKWBXNT-GOSISDBHSA-N 0 0 442.610 4.249 40 0 IIABRN Cc1ccc([C@H](NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000022513688 525963391 /nfs/dbraw/zinc/96/33/91/525963391.db2.gz QXTHAAPHJBRJLD-RUZDIDTESA-N 0 0 436.577 4.284 40 0 IIABRN C[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466591 525963969 /nfs/dbraw/zinc/96/39/69/525963969.db2.gz QYGMSQVFVWORLE-YWHDMBOESA-N 0 0 432.649 4.133 40 0 biogenic,in-vitro IIABRN Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3cc(C(F)(F)F)nn3C)CC2)n1 ZINC000019118556 526044374 /nfs/dbraw/zinc/04/43/74/526044374.db2.gz OWLCPYLTUUGDFY-UHFFFAOYSA-N 0 0 435.475 4.286 40 0 IIABRN COc1cccc(CNc2ncc(-c3ccsc3)c(-c3cnc(OC)nc3OC)n2)c1 ZINC000012252665 526047462 /nfs/dbraw/zinc/04/74/62/526047462.db2.gz DSRXPZFPGDNBRK-UHFFFAOYSA-N 0 0 435.509 4.300 40 0 IIABRN CSc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000035980668 526077706 /nfs/dbraw/zinc/07/77/06/526077706.db2.gz TZDBEOMQHZLIMI-RKVPGOIHSA-N 0 0 444.862 4.166 40 0 IIABRN CSc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000022393362 526166617 /nfs/dbraw/zinc/16/66/17/526166617.db2.gz ZBOKIGFFPAWGDW-UHFFFAOYSA-N 0 0 436.555 4.443 40 0 IIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O ZINC000022426676 526173968 /nfs/dbraw/zinc/17/39/68/526173968.db2.gz YMOXVKHPGPXBGO-HXUWFJFHSA-N 0 0 444.597 4.105 40 0 IIABRN Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O)CC(C)(C)O2 ZINC000022426544 526179458 /nfs/dbraw/zinc/17/94/58/526179458.db2.gz GVIWPISDCLDYBZ-FQEVSTJZSA-N 0 0 444.597 4.303 40 0 IIABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000022514938 526238112 /nfs/dbraw/zinc/23/81/12/526238112.db2.gz QCLCZDQYJNRCOH-KRWDZBQOSA-N 0 0 440.521 4.210 40 0 IIABRN O=C(NCCCc1ccccc1)c1ccc2c(=O)[nH]c3c(-c4cccc(F)c4)nnn3c2c1 ZINC000021867659 526279075 /nfs/dbraw/zinc/27/90/75/526279075.db2.gz RTXCYRKEVWLRPC-UHFFFAOYSA-N 0 0 441.466 4.152 40 0 IIABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1Cl ZINC000022379994 526704026 /nfs/dbraw/zinc/70/40/26/526704026.db2.gz MNLHKYMKXDBOIT-UHFFFAOYSA-N 0 0 436.867 4.452 40 0 IIABRN Cc1occc1-c1nc(NCc2ccc(F)cc2)ncc1-c1ccnc(N2CCOCC2)n1 ZINC000012667785 526796926 /nfs/dbraw/zinc/79/69/26/526796926.db2.gz PTYMBKJPVAZLKQ-UHFFFAOYSA-N 0 0 446.486 4.090 40 0 IIABRN Cc1sc(NC(=O)CN(C(=O)c2ccccc2Cl)C2CCCC2)c(C(N)=O)c1C ZINC000035292395 526880198 /nfs/dbraw/zinc/88/01/98/526880198.db2.gz ZMOFZOCEEXHZTG-UHFFFAOYSA-N 0 0 433.961 4.141 40 0 IIABRN Cc1sc(NC(=O)CN(CCc2ccccc2)C(=O)c2ccc(C)cc2)c(C(N)=O)c1C ZINC000035312277 526880669 /nfs/dbraw/zinc/88/06/69/526880669.db2.gz LXGPXRXGHKNVND-UHFFFAOYSA-N 0 0 449.576 4.096 40 0 IIABRN O=C1CC2(CCN(S(=O)(=O)Cc3ccccc3F)CC2)Oc2ccc3ccccc3c21 ZINC000225824687 526962028 /nfs/dbraw/zinc/96/20/28/526962028.db2.gz XFYBZPVYPREHHZ-UHFFFAOYSA-N 0 0 439.508 4.309 40 0 IIABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000022527281 527040515 /nfs/dbraw/zinc/04/05/15/527040515.db2.gz AOHBPDGYGQCRTL-QFIPXVFZSA-N 0 0 447.000 4.076 40 0 IIABRN O=C(CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1)NCc1cccs1 ZINC000012643470 527086699 /nfs/dbraw/zinc/08/66/99/527086699.db2.gz GFKOGJFVQJHWDP-UHFFFAOYSA-N 0 0 448.639 4.163 40 0 IIABRN O=C1c2ccccc2[C@](O)(c2ccccc2)[C@@H]1[C@@H]1C(=O)c2ccccc2[C@@]1(O)c1ccccc1 ZINC000018009817 527136664 /nfs/dbraw/zinc/13/66/64/527136664.db2.gz LQCDBKUVMGUULX-JQYHKRKISA-N 0 0 446.502 4.484 40 0 IIABRN O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CCCC1 ZINC000012873489 527508608 /nfs/dbraw/zinc/50/86/08/527508608.db2.gz YELUCLAXMANKMU-IBGZPJMESA-N 0 0 432.977 4.376 40 0 IIABRN Cc1nn(CC(=O)N2CCC[C@H]([C@@H]3CC(=O)c4c(ccc5ccccc54)O3)C2)c(C)c1C ZINC000012232637 527701559 /nfs/dbraw/zinc/70/15/59/527701559.db2.gz GAYQYBGHKCTZLD-RDPSFJRHSA-N 0 0 431.536 4.234 40 0 IIABRN CCS(=O)(=O)C(Br)(Br)C(=O)c1ccc(Cl)cc1Cl ZINC000096518494 556823614 /nfs/dbraw/zinc/82/36/14/556823614.db2.gz CZZJMGRFZVRSJN-UHFFFAOYSA-N 0 0 438.952 4.054 40 0 IIABRN CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000000661452 555527038 /nfs/dbraw/zinc/52/70/38/555527038.db2.gz KVKUDFHZNGTQLL-UHFFFAOYSA-N 0 0 441.380 4.053 40 0 IIABRN O=C(Nc1c(Cl)cccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000034895315 555548883 /nfs/dbraw/zinc/54/88/83/555548883.db2.gz SVCWLEFJPKVRFB-GFCCVEGCSA-N 0 0 431.316 4.172 40 0 IIABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Cl)c1O ZINC000001416607 555695345 /nfs/dbraw/zinc/69/53/45/555695345.db2.gz DPKRSJDEMOVVLA-MHWRWJLKSA-N 0 0 432.885 4.119 40 0 IIABRN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001508833 555702189 /nfs/dbraw/zinc/70/21/89/555702189.db2.gz DNJBNBABDKQPOK-UHFFFAOYSA-N 0 0 434.561 4.314 40 0 IIABRN CCC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408529480 555723622 /nfs/dbraw/zinc/72/36/22/555723622.db2.gz IFTWHDMZGKKNED-MRXNPFEDSA-N 0 0 438.977 4.157 40 0 IIABRN CCc1nnc(SCC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)[nH]1 ZINC000408528021 555724720 /nfs/dbraw/zinc/72/47/20/555724720.db2.gz QIIGNBMRJIILPM-UHFFFAOYSA-N 0 0 441.582 4.291 40 0 IIABRN Cc1ccccc1C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408535724 555764739 /nfs/dbraw/zinc/76/47/39/555764739.db2.gz ZVNXCRVSCRIWQC-UHFFFAOYSA-N 0 0 427.508 4.156 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1NC(=O)c1ccccc1F ZINC000408550430 555864436 /nfs/dbraw/zinc/86/44/36/555864436.db2.gz DYXTYAKPYIIMBT-UHFFFAOYSA-N 0 0 448.903 4.219 40 0 IIABRN CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408552344 555878782 /nfs/dbraw/zinc/87/87/82/555878782.db2.gz MDFJPPFRJRKDCR-UHFFFAOYSA-N 0 0 431.341 4.088 40 0 IIABRN CC1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)CC1 ZINC000003011181 555879148 /nfs/dbraw/zinc/87/91/48/555879148.db2.gz YICUHDAWUVVENU-KBXCAEBGSA-N 0 0 436.434 4.144 40 0 IIABRN CCN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408553895 555890870 /nfs/dbraw/zinc/89/08/70/555890870.db2.gz RGOMLFBSIGVAFC-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1C ZINC000408554091 555891573 /nfs/dbraw/zinc/89/15/73/555891573.db2.gz BMXNAZLKYCDSHL-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1 ZINC000408555812 555892659 /nfs/dbraw/zinc/89/26/59/555892659.db2.gz GMXXFBOIMJXURU-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1C ZINC000408556427 555893898 /nfs/dbraw/zinc/89/38/98/555893898.db2.gz IKYWHAHCXVWMRP-UHFFFAOYSA-N 0 0 444.940 4.388 40 0 IIABRN CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 ZINC000408556467 555893940 /nfs/dbraw/zinc/89/39/40/555893940.db2.gz CWIRAZLRRDVNNM-GOSISDBHSA-N 0 0 432.611 4.373 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cc(C)cc3C)C2)cc1C ZINC000408556667 555894275 /nfs/dbraw/zinc/89/42/75/555894275.db2.gz IYWIGCBNXPGWNW-HXUWFJFHSA-N 0 0 444.597 4.358 40 0 IIABRN NC(=O)COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br ZINC000408556569 555894278 /nfs/dbraw/zinc/89/42/78/555894278.db2.gz JOBHMZHTCDWYPH-UHFFFAOYSA-N 0 0 448.542 4.341 40 0 IIABRN COc1ccc(S(=O)(=O)NCC(C)C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408556745 555894492 /nfs/dbraw/zinc/89/44/92/555894492.db2.gz JOPCYSJPTIMBHB-UHFFFAOYSA-N 0 0 431.341 4.189 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408558460 555897829 /nfs/dbraw/zinc/89/78/29/555897829.db2.gz JCCOZNFLHLPKLE-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 ZINC000408561678 555903801 /nfs/dbraw/zinc/90/38/01/555903801.db2.gz VAKKQXOMBGBYDR-IBGZPJMESA-N 0 0 430.570 4.050 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000408562267 555905441 /nfs/dbraw/zinc/90/54/41/555905441.db2.gz YNYOEAGRORRVAD-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000408562729 555905975 /nfs/dbraw/zinc/90/59/75/555905975.db2.gz RUWJAXBSGIRCPV-UHFFFAOYSA-N 0 0 426.336 4.124 40 0 IIABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)/C=C/c2ccc(F)cc2)cc1OC ZINC000408570100 555913286 /nfs/dbraw/zinc/91/32/86/555913286.db2.gz YXZHZRAOZFNXLD-GXDHUFHOSA-N 0 0 448.494 4.467 40 0 IIABRN COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Br)cc1 ZINC000408574896 555925476 /nfs/dbraw/zinc/92/54/76/555925476.db2.gz MZZCFQHDAMJKLE-KRWDZBQOSA-N 0 0 436.371 4.481 40 0 IIABRN CCOC(=O)c1sc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)nc1C ZINC000408576960 555927562 /nfs/dbraw/zinc/92/75/62/555927562.db2.gz ZCICOQJBHQJCHI-ZRDIBKRKSA-N 0 0 441.534 4.415 40 0 IIABRN CCCn1c2nnc(SCc3cc(=O)oc4cc(C)ccc34)n2c2ccccc2c1=O ZINC000003375433 555928956 /nfs/dbraw/zinc/92/89/56/555928956.db2.gz YBCGWRJMNIWAGN-UHFFFAOYSA-N 0 0 432.505 4.161 40 0 IIABRN COc1cc(C(=O)Nc2nnc(CCSc3ccc(C)cc3)s2)cc(OC)c1OC ZINC000035167453 555945926 /nfs/dbraw/zinc/94/59/26/555945926.db2.gz XRTJMBHWFNJKHF-UHFFFAOYSA-N 0 0 445.566 4.459 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl ZINC000408589795 555946964 /nfs/dbraw/zinc/94/69/64/555946964.db2.gz FOMWCZNPGBIUAF-UHFFFAOYSA-N 0 0 429.369 4.211 40 0 IIABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000408591589 555952148 /nfs/dbraw/zinc/95/21/48/555952148.db2.gz JQJFWIFNJRFUOP-HNNXBMFYSA-N 0 0 439.512 4.259 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000408593192 555954870 /nfs/dbraw/zinc/95/48/70/555954870.db2.gz PMBYJOSTYJFSRL-UHFFFAOYSA-N 0 0 446.912 4.167 40 0 IIABRN O=Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000408599839 555958380 /nfs/dbraw/zinc/95/83/80/555958380.db2.gz MEPKAEXUJIYOIO-UHFFFAOYSA-N 0 0 448.544 4.387 40 0 IIABRN C[C@H](Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)NC1CCCCC1 ZINC000408593343 555958891 /nfs/dbraw/zinc/95/88/91/555958891.db2.gz PYVMZOHXAOJTTF-SFHVURJKSA-N 0 0 442.581 4.044 40 0 IIABRN CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408593443 555959295 /nfs/dbraw/zinc/95/92/95/555959295.db2.gz QILXKZCQXQOXEI-GFCCVEGCSA-N 0 0 431.341 4.086 40 0 IIABRN O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)N1CCCCC1 ZINC000408594434 555960771 /nfs/dbraw/zinc/96/07/71/555960771.db2.gz RTTZBPMJZQCYSH-UHFFFAOYSA-N 0 0 441.597 4.348 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408594773 555961157 /nfs/dbraw/zinc/96/11/57/555961157.db2.gz PFBUKYUFMIYXBX-NRFANRHFSA-N 0 0 428.941 4.177 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408595453 555961683 /nfs/dbraw/zinc/96/16/83/555961683.db2.gz QHGVTLJWTDDHKL-OAQYLSRUSA-N 0 0 428.941 4.177 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(COc3cccc4ccccc43)n2C)cc1 ZINC000408596367 555963114 /nfs/dbraw/zinc/96/31/14/555963114.db2.gz RUBJRXLPDULFJR-UHFFFAOYSA-N 0 0 434.521 4.287 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC)cc1 ZINC000408596635 555964113 /nfs/dbraw/zinc/96/41/13/555964113.db2.gz SNZKTGUEXOSQAJ-UHFFFAOYSA-N 0 0 428.489 4.012 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000408597288 555964623 /nfs/dbraw/zinc/96/46/23/555964623.db2.gz USKDEMCKGZUVDN-GFCCVEGCSA-N 0 0 431.341 4.006 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000408597290 555965131 /nfs/dbraw/zinc/96/51/31/555965131.db2.gz USKDEMCKGZUVDN-LBPRGKRZSA-N 0 0 431.341 4.006 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)c(Cl)c2)cc1 ZINC000408597501 555965402 /nfs/dbraw/zinc/96/54/02/555965402.db2.gz XCALCHZDFSGYSO-UHFFFAOYSA-N 0 0 436.961 4.231 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408611982 555977015 /nfs/dbraw/zinc/97/70/15/555977015.db2.gz XRMQZYAWVFOHRY-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000408614486 555985010 /nfs/dbraw/zinc/98/50/10/555985010.db2.gz CSQKGYKXAHUIKG-UHFFFAOYSA-N 0 0 440.915 4.354 40 0 IIABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000408614749 555985535 /nfs/dbraw/zinc/98/55/35/555985535.db2.gz HGGMIOCETXTVGQ-NRFANRHFSA-N 0 0 441.531 4.225 40 0 IIABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000408614750 555985555 /nfs/dbraw/zinc/98/55/55/555985555.db2.gz HGGMIOCETXTVGQ-OAQYLSRUSA-N 0 0 441.531 4.225 40 0 IIABRN O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408615019 555986150 /nfs/dbraw/zinc/98/61/50/555986150.db2.gz KUKWVJJOTDRBHV-OAHLLOKOSA-N 0 0 425.916 4.004 40 0 IIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408616059 555987110 /nfs/dbraw/zinc/98/71/10/555987110.db2.gz VGWIIFWUANUYAT-ZDUSSCGKSA-N 0 0 434.323 4.123 40 0 IIABRN COC(=O)c1ccc(NC(=O)c2cc3c(nc(SC)nc3N3CCCCC3)s2)cc1 ZINC000408622300 555991118 /nfs/dbraw/zinc/99/11/18/555991118.db2.gz PNBTUDRTXIZBFJ-UHFFFAOYSA-N 0 0 442.566 4.442 40 0 IIABRN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408623807 555992660 /nfs/dbraw/zinc/99/26/60/555992660.db2.gz ZIVGJCKGGUHDTJ-QGZVFWFLSA-N 0 0 442.968 4.400 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1Cl ZINC000408624660 555994272 /nfs/dbraw/zinc/99/42/72/555994272.db2.gz SZVUGTALWJLFFN-VMPITWQZSA-N 0 0 441.380 4.022 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)N1CCCCC1 ZINC000408625516 555996039 /nfs/dbraw/zinc/99/60/39/555996039.db2.gz SUKORRSYHLXSBD-UHFFFAOYSA-N 0 0 437.359 4.184 40 0 IIABRN CSc1nc2sc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2c(N2CCCC2)n1 ZINC000408625697 555996356 /nfs/dbraw/zinc/99/63/56/555996356.db2.gz XUUQRLDAIAENSI-UHFFFAOYSA-N 0 0 427.555 4.224 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000408626051 555996531 /nfs/dbraw/zinc/99/65/31/555996531.db2.gz KPEQLGZJMABFGO-UHFFFAOYSA-N 0 0 436.577 4.462 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1 ZINC000408626546 555997466 /nfs/dbraw/zinc/99/74/66/555997466.db2.gz ZMXMXGQJEUONSM-UHFFFAOYSA-N 0 0 430.570 4.356 40 0 IIABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)c1 ZINC000408630033 556000449 /nfs/dbraw/zinc/00/04/49/556000449.db2.gz MNIJPBCMWGMYOX-UHFFFAOYSA-N 0 0 449.532 4.012 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCCC1 ZINC000408635369 556012835 /nfs/dbraw/zinc/01/28/35/556012835.db2.gz AESWHTQYKMGYPT-UHFFFAOYSA-N 0 0 426.460 4.441 40 0 IIABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1 ZINC000408645958 556022019 /nfs/dbraw/zinc/02/20/19/556022019.db2.gz VGDYPZMJJFJWDV-HNNXBMFYSA-N 0 0 431.330 4.456 40 0 IIABRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000408650260 556026808 /nfs/dbraw/zinc/02/68/08/556026808.db2.gz MBTSROHUZBDTMY-UHFFFAOYSA-N 0 0 436.826 4.015 40 0 IIABRN CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O ZINC000408651875 556028042 /nfs/dbraw/zinc/02/80/42/556028042.db2.gz BMQIPIALJQVTNU-GOSISDBHSA-N 0 0 442.943 4.308 40 0 IIABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1OC ZINC000408648778 556029606 /nfs/dbraw/zinc/02/96/06/556029606.db2.gz ZOYNVZOVQVDUPD-UHFFFAOYSA-N 0 0 432.904 4.202 40 0 IIABRN Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408652811 556030643 /nfs/dbraw/zinc/03/06/43/556030643.db2.gz CYLUWRBTUXEMLS-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408656470 556036474 /nfs/dbraw/zinc/03/64/74/556036474.db2.gz SPNDUWVVDHGWTR-GXTWGEPZSA-N 0 0 436.291 4.170 40 0 IIABRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O ZINC000408658386 556039349 /nfs/dbraw/zinc/03/93/49/556039349.db2.gz VABFZODRRIALMB-QGZVFWFLSA-N 0 0 433.291 4.161 40 0 IIABRN O=C(CCCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000408661185 556041607 /nfs/dbraw/zinc/04/16/07/556041607.db2.gz DVFISYNLFVBCMI-UHFFFAOYSA-N 0 0 426.366 4.135 40 0 IIABRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000408661601 556042426 /nfs/dbraw/zinc/04/24/26/556042426.db2.gz XLEILXCHROSKJW-HNNXBMFYSA-N 0 0 432.863 4.265 40 0 IIABRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O)c1ccc(Cl)cc1Cl ZINC000408664922 556044496 /nfs/dbraw/zinc/04/44/96/556044496.db2.gz YYCZCQRIIOIMSF-UHFFFAOYSA-N 0 0 439.682 4.036 40 0 IIABRN COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F ZINC000408666741 556051720 /nfs/dbraw/zinc/05/17/20/556051720.db2.gz PDYQICQMJBYCBU-UHFFFAOYSA-N 0 0 438.402 4.005 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000408674807 556066114 /nfs/dbraw/zinc/06/61/14/556066114.db2.gz CSUQNZATDWHBEU-KRWDZBQOSA-N 0 0 442.512 4.191 40 0 IIABRN CC(C)(C[NH+]1CCCCC1)C(=O)C[C@H](SCCS(=O)(=O)[O-])c1ccc(Cl)cc1 ZINC000005854711 556067835 /nfs/dbraw/zinc/06/78/35/556067835.db2.gz XTBVWNNCEKSYAE-SFHVURJKSA-N 0 0 448.050 4.473 40 0 IIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000408675656 556068239 /nfs/dbraw/zinc/06/82/39/556068239.db2.gz KIYOCQWMBXBQNK-UHFFFAOYSA-N 0 0 430.460 4.454 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCC1 ZINC000408678499 556072905 /nfs/dbraw/zinc/07/29/05/556072905.db2.gz SIZXKKDHKITIRP-UHFFFAOYSA-N 0 0 436.961 4.277 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)c(C)c2)cc1 ZINC000408679413 556073909 /nfs/dbraw/zinc/07/39/09/556073909.db2.gz WPAQZEOPUUCSTN-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408682829 556082835 /nfs/dbraw/zinc/08/28/35/556082835.db2.gz JXHHZDZSIKAIKQ-MOPGFXCFSA-N 0 0 426.875 4.378 40 0 IIABRN COc1ccc(-c2nnc(SC(=O)c3ccc(I)cc3)o2)cc1 ZINC000408692876 556092764 /nfs/dbraw/zinc/09/27/64/556092764.db2.gz XLQWQGSUYCUVPD-UHFFFAOYSA-N 0 0 438.246 4.282 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000408693504 556099316 /nfs/dbraw/zinc/09/93/16/556099316.db2.gz XTEZXPANFNEFMY-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000408700476 556102598 /nfs/dbraw/zinc/10/25/98/556102598.db2.gz GPYGDJXOFIUSQR-UHFFFAOYSA-N 0 0 448.629 4.226 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000408701151 556103908 /nfs/dbraw/zinc/10/39/08/556103908.db2.gz SGBOVWAORNMEQP-UHFFFAOYSA-N 0 0 442.459 4.141 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1SC ZINC000408701815 556105132 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CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000013675850 556554161 /nfs/dbraw/zinc/55/41/61/556554161.db2.gz KPNHKADRXQGBRJ-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000013679173 556555740 /nfs/dbraw/zinc/55/57/40/556555740.db2.gz CXXFYNNAEYWPHE-INIZCTEOSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1ccc2ccccc2c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013681179 556556772 /nfs/dbraw/zinc/55/67/72/556556772.db2.gz VAJVWUOUJGLLEV-UHFFFAOYSA-N 0 0 436.577 4.453 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000015941086 556566284 /nfs/dbraw/zinc/56/62/84/556566284.db2.gz HOMFUQJKPPQHTI-UHFFFAOYSA-N 0 0 449.576 4.408 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1Br ZINC000016027660 556576576 /nfs/dbraw/zinc/57/65/76/556576576.db2.gz WQNATUCWRSNNKQ-UHFFFAOYSA-N 0 0 437.359 4.184 40 0 IIABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)S2)cc1 ZINC000016161821 556586323 /nfs/dbraw/zinc/58/63/23/556586323.db2.gz IJZSWRNBKBXMMI-NXIIHZOPSA-N 0 0 435.343 4.325 40 0 IIABRN COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc(OC)c1OC ZINC000016195232 556589892 /nfs/dbraw/zinc/58/98/92/556589892.db2.gz SGNYTSOFXYSUCS-UHFFFAOYSA-N 0 0 430.844 4.463 40 0 IIABRN CC[C@@H](C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000036067899 556592216 /nfs/dbraw/zinc/59/22/16/556592216.db2.gz UZAPQYMJKNEMFT-YADHBBJMSA-N 0 0 432.586 4.143 40 0 IIABRN COc1ccc(NC(=O)c2cccc(I)c2)cc1Br ZINC000016226646 556592664 /nfs/dbraw/zinc/59/26/64/556592664.db2.gz KFPUBBNBOIOGBE-UHFFFAOYSA-N 0 0 432.055 4.315 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Br)c2)cc1Cl ZINC000016226841 556592765 /nfs/dbraw/zinc/59/27/65/556592765.db2.gz OBBYTNRNUVHGPI-UHFFFAOYSA-N 0 0 429.723 4.247 40 0 IIABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000016293414 556598656 /nfs/dbraw/zinc/59/86/56/556598656.db2.gz JWTJPVZFFMYMDC-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN C[C@H]1C[C@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C1 ZINC000036627547 556599113 /nfs/dbraw/zinc/59/91/13/556599113.db2.gz YAEYXKCVDPDXTB-UWVGGRQHSA-N 0 0 443.135 4.436 40 0 IIABRN O=C(Nc1nc(NC(=O)NC2CCCCC2)nc(-c2ccccc2)n1)NC1CCCCC1 ZINC000016493418 556612802 /nfs/dbraw/zinc/61/28/02/556612802.db2.gz VQRBTKIMIGSOCN-UHFFFAOYSA-N 0 0 437.548 4.447 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000038755028 556617273 /nfs/dbraw/zinc/61/72/73/556617273.db2.gz MTEVSQIGVCVRAF-FQEVSTJZSA-N 0 0 438.977 4.018 40 0 IIABRN COc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000038771280 556618962 /nfs/dbraw/zinc/61/89/62/556618962.db2.gz FMPYXUDRGKGPMA-SFHVURJKSA-N 0 0 438.549 4.320 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038849597 556624073 /nfs/dbraw/zinc/62/40/73/556624073.db2.gz KQMUUKQKHMTEJX-IBGZPJMESA-N 0 0 436.961 4.112 40 0 IIABRN Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1Cl ZINC000038849707 556624488 /nfs/dbraw/zinc/62/44/88/556624488.db2.gz BCCBKSSGCPTKSR-LJQANCHMSA-N 0 0 436.961 4.112 40 0 IIABRN Cc1ccc(CN2C(=O)[C@H](CC(=O)NCCc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000039964007 556631122 /nfs/dbraw/zinc/63/11/22/556631122.db2.gz CXDHTCIYVNAQDM-DEOSSOPVSA-N 0 0 438.531 4.182 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000039986125 556632374 /nfs/dbraw/zinc/63/23/74/556632374.db2.gz LNDLPDBNBDFDGH-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN COCc1nn2c(ncc3c2ccn(Cc2ccc(C)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000040397082 556639201 /nfs/dbraw/zinc/63/92/01/556639201.db2.gz JNGWXCCAPHQARR-UHFFFAOYSA-N 0 0 428.467 4.353 40 0 IIABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC000016789461 556642478 /nfs/dbraw/zinc/64/24/78/556642478.db2.gz GMUNMHAVOVBLFM-UHFFFAOYSA-N 0 0 431.521 4.459 40 0 IIABRN COc1ccc([C@@H]2S/C(=C/c3cccc(O)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219274 556673653 /nfs/dbraw/zinc/67/36/53/556673653.db2.gz KKTNGNNGKIPZHV-DIXABZHVSA-N 0 0 446.528 4.290 40 0 IIABRN Cc1ccc(CN(c2ccc(C(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000044883372 556674792 /nfs/dbraw/zinc/67/47/92/556674792.db2.gz XQSGOCBBJNDHIO-UHFFFAOYSA-N 0 0 426.513 4.030 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)c1 ZINC000017605324 556678255 /nfs/dbraw/zinc/67/82/55/556678255.db2.gz KKYIMOILHZXBNE-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044902655 556678485 /nfs/dbraw/zinc/67/84/85/556678485.db2.gz DPUDXQIZVRDXOL-IBGZPJMESA-N 0 0 434.989 4.262 40 0 IIABRN CCSc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000044938736 556683382 /nfs/dbraw/zinc/68/33/82/556683382.db2.gz WKUNMXKEICGXSY-KRWDZBQOSA-N 0 0 440.974 4.008 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1cccc(F)c1 ZINC000000778419 556693170 /nfs/dbraw/zinc/69/31/70/556693170.db2.gz DBSRDQJAWBAKAT-UHFFFAOYSA-N 0 0 442.468 4.495 40 0 IIABRN CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NC4CCCC4)C3)cc2N1 ZINC000019082355 556697381 /nfs/dbraw/zinc/69/73/81/556697381.db2.gz NLTGBYBPOLBEQY-OLMNPRSZSA-N 0 0 441.542 4.065 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1C ZINC000000813980 556698371 /nfs/dbraw/zinc/69/83/71/556698371.db2.gz MWKSTZMGCKEICL-UHFFFAOYSA-N 0 0 436.961 4.005 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCc4c[nH]c5ccccc45)C3)cc2n1 ZINC000019116998 556700272 /nfs/dbraw/zinc/70/02/72/556700272.db2.gz FPXPCVNIAMMWDH-MRXNPFEDSA-N 0 0 441.457 4.487 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)cc(-c4cccs4)n3)C2)cc1OC ZINC000019117703 556700296 /nfs/dbraw/zinc/70/02/96/556700296.db2.gz DVDGQBIRRIWRMG-GOSISDBHSA-N 0 0 437.565 4.479 40 0 IIABRN Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1C ZINC000019119289 556700634 /nfs/dbraw/zinc/70/06/34/556700634.db2.gz IJVPFOFWFGOHRY-SFHVURJKSA-N 0 0 446.477 4.448 40 0 IIABRN CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2ccncc2)CC1 ZINC000257201772 556701330 /nfs/dbraw/zinc/70/13/30/556701330.db2.gz AIZSSPZUDRPCAC-UHFFFAOYSA-N 0 0 427.548 4.302 40 0 IIABRN O=C(CCc1ccccc1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257209440 556702309 /nfs/dbraw/zinc/70/23/09/556702309.db2.gz BQJHJMUEAAGRAJ-QHCPKHFHSA-N 0 0 439.943 4.217 40 0 IIABRN COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCC3CCOCC3)CCOCC2)c1 ZINC000257329169 556705644 /nfs/dbraw/zinc/70/56/44/556705644.db2.gz XIUDVNXGWFBBHO-UHFFFAOYSA-N 0 0 441.543 4.383 40 0 IIABRN O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 ZINC000257329759 556705648 /nfs/dbraw/zinc/70/56/48/556705648.db2.gz XLKHEBZRKQTXLX-OAQYLSRUSA-N 0 0 426.520 4.409 40 0 IIABRN c1ccc(-c2nnn(C34C[C@@H]5C[C@@H](CC(c6nc7c8ccccc8ncn7n6)(C5)C3)C4)n2)cc1 ZINC000013643289 556706069 /nfs/dbraw/zinc/70/60/69/556706069.db2.gz MMJLADZAXQVCCY-LJQDGHHOSA-N 0 0 448.534 4.178 40 0 IIABRN COc1cc(C)ccc1CN1CCO[C@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 ZINC000257335808 556706312 /nfs/dbraw/zinc/70/63/12/556706312.db2.gz YLYURDHQCFKRQK-VWLOTQADSA-N 0 0 439.531 4.071 40 0 IIABRN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257336893 556706809 /nfs/dbraw/zinc/70/68/09/556706809.db2.gz YQMJBSCEBZQQNR-NRFANRHFSA-N 0 0 427.548 4.452 40 0 IIABRN COc1ccc(C(=O)c2noc(-c3cccs3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000019202805 556707779 /nfs/dbraw/zinc/70/77/79/556707779.db2.gz PYXMSPKMAZDTRS-UHFFFAOYSA-N 0 0 425.487 4.476 40 0 IIABRN O=C(CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230821 556709046 /nfs/dbraw/zinc/70/90/46/556709046.db2.gz GEBMKIORUWCPAU-ZJSXRUAMSA-N 0 0 446.494 4.067 40 0 IIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)N[C@H]3CCCOC3)CCOCC2)cc1 ZINC000257246272 556711029 /nfs/dbraw/zinc/71/10/29/556711029.db2.gz ITKIFOOAHQUFQX-NRFANRHFSA-N 0 0 427.516 4.136 40 0 IIABRN COc1cccc(CC(=O)N2CCC3(C[C@H](Cc4ccccc4)N(CC(C)C)C3=O)CC2)c1 ZINC000257247494 556711069 /nfs/dbraw/zinc/71/10/69/556711069.db2.gz IZGNUUKHPAXDQX-DEOSSOPVSA-N 0 0 448.607 4.346 40 0 IIABRN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(O)c(OC)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013688053 556711293 /nfs/dbraw/zinc/71/12/93/556711293.db2.gz UNADECRQZGYGGY-SGNDLWITSA-N 0 0 444.487 4.014 40 0 IIABRN Cc1c2cccc(C)c2oc1C(=O)N1CCNC(=O)[C@@H]1Cc1cccc(-c2cccnc2)c1 ZINC000257262675 556712666 /nfs/dbraw/zinc/71/26/66/556712666.db2.gz LMIWTRZMUYUCNB-QHCPKHFHSA-N 0 0 439.515 4.295 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1C ZINC000019235841 556720205 /nfs/dbraw/zinc/72/02/05/556720205.db2.gz VKFOERFSZJOHKR-NRFANRHFSA-N 0 0 431.540 4.207 40 0 IIABRN Cc1ccccc1-c1noc([C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3)CCO2)n1 ZINC000019237484 556722211 /nfs/dbraw/zinc/72/22/11/556722211.db2.gz KOTOZSVSBNSLHY-IBGZPJMESA-N 0 0 427.888 4.067 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)Cc1cccs1 ZINC000000871978 556726850 /nfs/dbraw/zinc/72/68/50/556726850.db2.gz CGZSRZLAYNVVMT-UHFFFAOYSA-N 0 0 432.498 4.477 40 0 IIABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1C ZINC000000874420 556729041 /nfs/dbraw/zinc/72/90/41/556729041.db2.gz AICSAUCRDMGJHM-HSZRJFAPSA-N 0 0 449.620 4.243 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 ZINC000000882917 556733781 /nfs/dbraw/zinc/73/37/81/556733781.db2.gz JCIRBKSFVWJMFZ-UHFFFAOYSA-N 0 0 436.537 4.144 40 0 IIABRN Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c12 ZINC000000889402 556739116 /nfs/dbraw/zinc/73/91/16/556739116.db2.gz YDBRNJAILDGZNP-RUZDIDTESA-N 0 0 448.530 4.023 40 0 IIABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc43)cc2c1 ZINC000000888996 556739466 /nfs/dbraw/zinc/73/94/66/556739466.db2.gz WIASELMUCGBKLX-XMMPIXPASA-N 0 0 440.551 4.480 40 0 IIABRN Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C ZINC000000892072 556739946 /nfs/dbraw/zinc/73/99/46/556739946.db2.gz FEUMYZAQYLDEPS-UHFFFAOYSA-N 0 0 425.535 4.066 40 0 IIABRN O=C(CC[C@H]1CCCO1)N1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 ZINC000019341151 556740100 /nfs/dbraw/zinc/74/01/00/556740100.db2.gz SUGUQOVGCRWBQG-HXUWFJFHSA-N 0 0 447.514 4.265 40 0 IIABRN CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NCc1ccccc1 ZINC000000898527 556741339 /nfs/dbraw/zinc/74/13/39/556741339.db2.gz SEIJEBLRUVUJGX-HNNXBMFYSA-N 0 0 430.961 4.327 40 0 IIABRN Cc1cc(C)nc(SCc2nnc(S[C@H](C)C(=O)Nc3c(C)cccc3C)n2C)n1 ZINC000000907055 556744085 /nfs/dbraw/zinc/74/40/85/556744085.db2.gz PBTDOBGEPLOPFT-MRXNPFEDSA-N 0 0 442.614 4.250 40 0 IIABRN Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c12 ZINC000000907795 556744254 /nfs/dbraw/zinc/74/42/54/556744254.db2.gz WJFICQDUFYSIKB-AVRDEDQJSA-N 0 0 435.593 4.453 40 0 IIABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCc4ccccc43)cc2c1 ZINC000000908682 556744624 /nfs/dbraw/zinc/74/46/24/556744624.db2.gz VMGGVKVCRHBHBP-HSZRJFAPSA-N 0 0 442.567 4.374 40 0 IIABRN CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)c1 ZINC000000908231 556744820 /nfs/dbraw/zinc/74/48/20/556744820.db2.gz LILVRIQFMNCWGH-UHFFFAOYSA-N 0 0 442.541 4.199 40 0 IIABRN NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCc2ccccc2)C1 ZINC000019370702 556748083 /nfs/dbraw/zinc/74/80/83/556748083.db2.gz HZZIRQNOLVTQEN-HHHXNRCGSA-N 0 0 427.548 4.018 40 0 IIABRN COc1ccc(C(=O)CN2c3sc(C)cc3C(c3ccc(OC)cc3)=NCC2=O)cc1 ZINC000000924577 556751733 /nfs/dbraw/zinc/75/17/33/556751733.db2.gz FTDODBGGJUMZRL-UHFFFAOYSA-N 0 0 434.517 4.141 40 0 IIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)Cc3ccc(F)cc3)cc2c1 ZINC000000925675 556752762 /nfs/dbraw/zinc/75/27/62/556752762.db2.gz ZUVMNNADGUNYRF-UHFFFAOYSA-N 0 0 446.530 4.280 40 0 IIABRN CCC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926473 556753211 /nfs/dbraw/zinc/75/32/11/556753211.db2.gz BSIQDDRBAZARCW-UHFFFAOYSA-N 0 0 444.583 4.479 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)cc12 ZINC000000926963 556753912 /nfs/dbraw/zinc/75/39/12/556753912.db2.gz NXIMWWWQERDDSY-UHFFFAOYSA-N 0 0 446.555 4.432 40 0 IIABRN CCOc1cc(NC(=O)C(C)C)c(OCC)cc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000000928852 556754493 /nfs/dbraw/zinc/75/44/93/556754493.db2.gz JTRVMBDBFWUYQD-UHFFFAOYSA-N 0 0 430.501 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ZINC000019589621 556824588 /nfs/dbraw/zinc/82/45/88/556824588.db2.gz DCVBKCXZNUCMRI-OAQYLSRUSA-N 0 0 446.522 4.274 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000019591369 556826645 /nfs/dbraw/zinc/82/66/45/556826645.db2.gz LJPFEOXQPMAGGY-AMGIVPHBSA-N 0 0 432.564 4.060 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2ccccc2OC)C1 ZINC000019591515 556827120 /nfs/dbraw/zinc/82/71/20/556827120.db2.gz SUGSGNBSAIWYOM-NDEPHWFRSA-N 0 0 442.559 4.112 40 0 IIABRN Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=S)NCC(C)C)cc1 ZINC000006406891 556834510 /nfs/dbraw/zinc/83/45/10/556834510.db2.gz XCKQEAGAXVGBIF-UHFFFAOYSA-N 0 0 437.565 4.098 40 0 IIABRN Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCCCC3)c(=O)[nH]c2c1C ZINC000006442595 556836012 /nfs/dbraw/zinc/83/60/12/556836012.db2.gz UHQLXYFYKQIZKQ-XMMPIXPASA-N 0 0 442.567 4.145 40 0 IIABRN CCS(=O)(=O)CCCC[C@H]1N=N[C@H](NC(=O)Nc2cccc(C(F)(F)F)c2)S1 ZINC000006631590 556839142 /nfs/dbraw/zinc/83/91/42/556839142.db2.gz ZXRCBCIXTAXXIS-ZFWWWQNUSA-N 0 0 438.497 4.241 40 0 IIABRN C[C@H]1Cc2cc(CCC(=O)N3CCC(c4ccc(-c5cncnc5)cn4)CC3)ccc2O1 ZINC000019687985 556842479 /nfs/dbraw/zinc/84/24/79/556842479.db2.gz WGVOAQSFLJIDQF-SFHVURJKSA-N 0 0 428.536 4.201 40 0 IIABRN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019688034 556842672 /nfs/dbraw/zinc/84/26/72/556842672.db2.gz RVZRBUQXPNYJEB-KRWDZBQOSA-N 0 0 447.510 4.160 40 0 IIABRN Cc1ccn2cc(C(=O)N3CCC[C@H]3c3nc(N(C)C)ncc3-c3cccc(F)c3)nc2c1 ZINC000019689824 556844703 /nfs/dbraw/zinc/84/47/03/556844703.db2.gz HXNMZVVOWNAHFT-NRFANRHFSA-N 0 0 444.514 4.282 40 0 IIABRN Cc1cc2cc(CN(Cc3cccs3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000008686633 556845041 /nfs/dbraw/zinc/84/50/41/556845041.db2.gz GRSDJBSKCZHZPF-IBGZPJMESA-N 0 0 441.622 4.262 40 0 IIABRN COC[C@H](C)NC(=O)CN1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000019690508 556846560 /nfs/dbraw/zinc/84/65/60/556846560.db2.gz UWMKIKQVFXNSQZ-KRWDZBQOSA-N 0 0 449.517 4.022 40 0 IIABRN CC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)o1 ZINC000019691180 556846812 /nfs/dbraw/zinc/84/68/12/556846812.db2.gz LABAFPPBECBOTQ-LJQANCHMSA-N 0 0 434.544 4.012 40 0 IIABRN COc1ccc(Cc2cc(C)nc(C3CCN(C(=O)c4cn5cccnc5n4)CC3)c2)cc1 ZINC000019691861 556847546 /nfs/dbraw/zinc/84/75/46/556847546.db2.gz IQESOJLLSJRXJC-UHFFFAOYSA-N 0 0 441.535 4.052 40 0 IIABRN CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1 ZINC000019692042 556847929 /nfs/dbraw/zinc/84/79/29/556847929.db2.gz OQQWVLVGEJJVOX-HSZRJFAPSA-N 0 0 438.597 4.340 40 0 IIABRN CCOc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1 ZINC000008809081 556849066 /nfs/dbraw/zinc/84/90/66/556849066.db2.gz FPISTERJHFFSJW-UHFFFAOYSA-N 0 0 431.521 4.459 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)s1 ZINC000019694099 556849117 /nfs/dbraw/zinc/84/91/17/556849117.db2.gz USMFTXZJFWBXBY-QGZVFWFLSA-N 0 0 439.560 4.442 40 0 IIABRN Cc1nc2cc(C(=O)N3CCC[C@H](c4nc(N(C)C)ncc4-c4ccccc4)C3)ccc2[nH]1 ZINC000019694092 556849203 /nfs/dbraw/zinc/84/92/03/556849203.db2.gz GBPBZLIWJWUMJQ-FQEVSTJZSA-N 0 0 440.551 4.414 40 0 IIABRN COc1cccc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)c1 ZINC000019694150 556849427 /nfs/dbraw/zinc/84/94/27/556849427.db2.gz CLKGNBOVUHCFLA-UHFFFAOYSA-N 0 0 434.515 4.377 40 0 IIABRN Cc1c(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019694303 556850143 /nfs/dbraw/zinc/85/01/43/556850143.db2.gz VDCHWONYLHMXBD-FQEVSTJZSA-N 0 0 438.963 4.272 40 0 IIABRN Cc1nnsc1C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019694358 556850396 /nfs/dbraw/zinc/85/03/96/556850396.db2.gz MEGPXHDCLSLRSS-QGZVFWFLSA-N 0 0 442.976 4.390 40 0 IIABRN C[C@@]12C[C@@H](CC(C)(C)C1)N1c3nc4ccccc4cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]12 ZINC000008879667 556850412 /nfs/dbraw/zinc/85/04/12/556850412.db2.gz IKIDGXCEPIMKPC-HUJREVKFSA-N 0 0 434.536 4.387 40 0 IIABRN CCc1nc(C)c(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)CC2)o1 ZINC000019695266 556851735 /nfs/dbraw/zinc/85/17/35/556851735.db2.gz SRPMHKGUQOYRGK-UHFFFAOYSA-N 0 0 437.519 4.227 40 0 IIABRN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000408786765 556856431 /nfs/dbraw/zinc/85/64/31/556856431.db2.gz VVEYHEKIYHTIGU-UHFFFAOYSA-N 0 0 431.554 4.029 40 0 IIABRN Nc1nc2c(cc1C(=O)Nc1ccc(F)cc1)CN(Cc1ccc3ncccc3c1)CC2 ZINC000019701087 556861007 /nfs/dbraw/zinc/86/10/07/556861007.db2.gz IIRQAFMVHGZHSA-UHFFFAOYSA-N 0 0 427.483 4.162 40 0 IIABRN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)c1ccco1 ZINC000408848764 556870397 /nfs/dbraw/zinc/87/03/97/556870397.db2.gz YGUVQRSYFAUEFN-QGOAFFKASA-N 0 0 433.416 4.251 40 0 IIABRN C=C1[NH+]=C(SCc2cccc(C(=O)[O-])c2)N[C@H](c2cccc(OC)c2)C1C(=O)OCC ZINC000408876859 556876810 /nfs/dbraw/zinc/87/68/10/556876810.db2.gz RHYZDMQLGHSEKT-HXUWFJFHSA-N 0 0 440.521 4.164 40 0 IIABRN Cc1nc(C2CCN(Cc3cnc(C(C)C)nc3)CC2)nc2c1CCC(=O)N2C1CCCC1 ZINC000019739275 556877263 /nfs/dbraw/zinc/87/72/63/556877263.db2.gz BYKRLHSANRJVIG-UHFFFAOYSA-N 0 0 448.615 4.300 40 0 IIABRN Cc1nc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019739539 556878388 /nfs/dbraw/zinc/87/83/88/556878388.db2.gz RWHNOEQHVIXJQM-JOCHJYFZSA-N 0 0 444.579 4.327 40 0 IIABRN CC(C)N(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000071260645 556879970 /nfs/dbraw/zinc/87/99/70/556879970.db2.gz HPSKBZRXZFGEGC-DEOSSOPVSA-N 0 0 426.516 4.331 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019740467 556880583 /nfs/dbraw/zinc/88/05/83/556880583.db2.gz RTOAUONVWPQNAD-JOCHJYFZSA-N 0 0 440.547 4.284 40 0 IIABRN Cc1nc([C@H]2CCCCN2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019740900 556881932 /nfs/dbraw/zinc/88/19/32/556881932.db2.gz BLGYUCIGYQOZGF-XMMPIXPASA-N 0 0 441.579 4.429 40 0 IIABRN Cc1nn(-c2ccccn2)c2nc([C@@H]3CCCN3C(=O)COc3c(C)cccc3C)ccc12 ZINC000019742418 556886474 /nfs/dbraw/zinc/88/64/74/556886474.db2.gz DVSLOMNGOWTRNS-QFIPXVFZSA-N 0 0 441.535 4.483 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000019743830 556888876 /nfs/dbraw/zinc/88/88/76/556888876.db2.gz IXZXEMHVIVTDRG-QFIPXVFZSA-N 0 0 446.595 4.203 40 0 IIABRN CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c1 ZINC000408917768 556888927 /nfs/dbraw/zinc/88/89/27/556888927.db2.gz AYHRCJVTPAFBCD-ZQFKLAOWSA-N 0 0 443.886 4.359 40 0 IIABRN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N(C)c3ccccc3)c2)cc1C ZINC000019751183 556895293 /nfs/dbraw/zinc/89/52/93/556895293.db2.gz HCVIVFDEDOCLCE-DEOSSOPVSA-N 0 0 443.547 4.105 40 0 IIABRN Cc1n[nH]cc1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)CCC2 ZINC000019753058 556896943 /nfs/dbraw/zinc/89/69/43/556896943.db2.gz BVPFSEXWYFZWTA-JOCHJYFZSA-N 0 0 448.546 4.276 40 0 IIABRN C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000072325051 556902548 /nfs/dbraw/zinc/90/25/48/556902548.db2.gz GOSHJZDBPIDYPO-KRWDZBQOSA-N 0 0 427.976 4.182 40 0 IIABRN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(C(=O)C1CCCCC1)CC3)c1cccn1-2 ZINC000072327289 556904027 /nfs/dbraw/zinc/90/40/27/556904027.db2.gz GPENNRFHPYCMAW-SANMLTNESA-N 0 0 435.568 4.469 40 0 IIABRN CC(C)CNC(=O)c1cc([C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2ccccc21 ZINC000019761567 556905054 /nfs/dbraw/zinc/90/50/54/556905054.db2.gz QVXKQUDENFQPLL-IBGZPJMESA-N 0 0 437.584 4.022 40 0 IIABRN O=C(c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000408976155 556906262 /nfs/dbraw/zinc/90/62/62/556906262.db2.gz PSHIOTQMEGRDFC-IBGZPJMESA-N 0 0 448.482 4.060 40 0 IIABRN CCn1nc(C)c(CN2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)c1C ZINC000019762385 556906921 /nfs/dbraw/zinc/90/69/21/556906921.db2.gz TTXIHWLKDLEKJI-VWLOTQADSA-N 0 0 449.599 4.027 40 0 IIABRN CCOc1ccc(NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000408980669 556907686 /nfs/dbraw/zinc/90/76/86/556907686.db2.gz SCCZQGUVOVCQJD-HSZRJFAPSA-N 0 0 438.549 4.442 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)C2CCCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764923 556909272 /nfs/dbraw/zinc/90/92/72/556909272.db2.gz MCYQPNCKFKCYMI-QFIPXVFZSA-N 0 0 438.547 4.488 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)ncc1C(=O)N1CCCCC1 ZINC000019765696 556910527 /nfs/dbraw/zinc/91/05/27/556910527.db2.gz UDGUGKGOALXELK-JOCHJYFZSA-N 0 0 449.530 4.399 40 0 IIABRN CCOC(=O)CSC1=N[C@@H](c2cccc(Cl)c2Cl)C(C(=O)OCC)=C(C)N1 ZINC000408991272 556911743 /nfs/dbraw/zinc/91/17/43/556911743.db2.gz QARRSUPAFVRBPG-INIZCTEOSA-N 0 0 431.341 4.127 40 0 IIABRN CCN(CC)C(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409002826 556913542 /nfs/dbraw/zinc/91/35/42/556913542.db2.gz BHVXVSZMLXBSEJ-UHFFFAOYSA-N 0 0 443.396 4.361 40 0 IIABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC000409004535 556915382 /nfs/dbraw/zinc/91/53/82/556915382.db2.gz XMSPAKRIMKSPON-RXVVDRJESA-N 0 0 430.460 4.297 40 0 IIABRN Cc1nc(SCC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)oc1C ZINC000072344968 556916362 /nfs/dbraw/zinc/91/63/62/556916362.db2.gz YFKNXLGREQKRSE-UHFFFAOYSA-N 0 0 433.537 4.162 40 0 IIABRN COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)C3CCCCC3)CC2)nc1N ZINC000072346305 556917767 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RPCYZVLILVOASO-QGZVFWFLSA-N 0 0 443.569 4.202 40 0 IIABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501151 557324736 /nfs/dbraw/zinc/32/47/36/557324736.db2.gz ABDOZRVAWRGQJW-QHCPKHFHSA-N 0 0 446.555 4.360 40 0 IIABRN CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OCC)c(Cl)c2)C1=O ZINC000409211835 557331114 /nfs/dbraw/zinc/33/11/14/557331114.db2.gz NFTQCPVBNAOBOB-ZROIWOOFSA-N 0 0 431.341 4.345 40 0 IIABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1C[C@H]1CCCO1 ZINC000013512029 557332790 /nfs/dbraw/zinc/33/27/90/557332790.db2.gz JGWWROQPAPPZSN-QGZVFWFLSA-N 0 0 426.542 4.319 40 0 IIABRN Cc1occc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)n1C[C@H]1CCCO1 ZINC000013512065 557332819 /nfs/dbraw/zinc/33/28/19/557332819.db2.gz RDGKFLZICWVTMO-QGZVFWFLSA-N 0 0 426.542 4.373 40 0 IIABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1C[C@H]1CCCO1 ZINC000013512272 557333359 /nfs/dbraw/zinc/33/33/59/557333359.db2.gz RGJBQBWOSOKOBJ-CQSZACIVSA-N 0 0 432.933 4.410 40 0 IIABRN CC(=O)c1cccc(NC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000222381968 557336794 /nfs/dbraw/zinc/33/67/94/557336794.db2.gz CXCKLWMBJZOPHL-UHFFFAOYSA-N 0 0 443.352 4.381 40 0 IIABRN COc1ccccc1NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222380298 557336801 /nfs/dbraw/zinc/33/68/01/557336801.db2.gz MFBSSHPWNFXHEM-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000222386876 557337517 /nfs/dbraw/zinc/33/75/17/557337517.db2.gz YQAUSONNRPWXNH-UHFFFAOYSA-N 0 0 434.561 4.473 40 0 IIABRN CCOC(=O)Cc1csc(NC(=O)CSc2nc3ccc(C)cc3cc2CC)n1 ZINC000013503557 557338670 /nfs/dbraw/zinc/33/86/70/557338670.db2.gz PBTNPKSUSMJODK-UHFFFAOYSA-N 0 0 429.567 4.399 40 0 IIABRN CCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000108589410 557340054 /nfs/dbraw/zinc/34/00/54/557340054.db2.gz HGYPBZDBKSJYOR-UHFFFAOYSA-N 0 0 438.549 4.467 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C)C(=O)OC(C)(C)C)nc2)cc1 ZINC000072214448 557341152 /nfs/dbraw/zinc/34/11/52/557341152.db2.gz HFQFURNERJVQAT-IBGZPJMESA-N 0 0 431.558 4.287 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N(C)C(=O)OC(C)(C)C)cc1 ZINC000072214507 557341602 /nfs/dbraw/zinc/34/16/02/557341602.db2.gz CSSIFDSRYKOAOR-LJQANCHMSA-N 0 0 431.558 4.287 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222490644 557343184 /nfs/dbraw/zinc/34/31/84/557343184.db2.gz SOPGUGCSKDJWMP-QHCPKHFHSA-N 0 0 438.930 4.408 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)c(C)c1 ZINC000222524622 557347271 /nfs/dbraw/zinc/34/72/71/557347271.db2.gz PWBKHLJOBSUOGG-VWLOTQADSA-N 0 0 448.538 4.207 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C ZINC000222531842 557347813 /nfs/dbraw/zinc/34/78/13/557347813.db2.gz GIBIPZIXTRZQBS-VWLOTQADSA-N 0 0 432.539 4.371 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)ccc1C ZINC000222540878 557348880 /nfs/dbraw/zinc/34/88/80/557348880.db2.gz YMOCXUHKKQMENB-NFBKMPQASA-N 0 0 440.584 4.413 40 0 IIABRN CCN(c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584889 557349551 /nfs/dbraw/zinc/34/95/51/557349551.db2.gz VOTZSMQBOICDIZ-LJQANCHMSA-N 0 0 438.549 4.158 40 0 IIABRN Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1C ZINC000044792080 557351521 /nfs/dbraw/zinc/35/15/21/557351521.db2.gz ZEOSVXUYUAYAFO-UHFFFAOYSA-N 0 0 434.561 4.084 40 0 IIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000222557097 557351604 /nfs/dbraw/zinc/35/16/04/557351604.db2.gz MYDRTTOPPJQHAB-JWGURIENSA-N 0 0 429.476 4.124 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000222560737 557351919 /nfs/dbraw/zinc/35/19/19/557351919.db2.gz ABHXHKDHDXZGMW-JOCHJYFZSA-N 0 0 430.570 4.142 40 0 IIABRN COc1cc(OC)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br ZINC000222563355 557352816 /nfs/dbraw/zinc/35/28/16/557352816.db2.gz LFZRTKMXMDVSQW-FJNPEDAXSA-N 0 0 434.359 4.451 40 0 IIABRN COC(=O)c1cn(C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c2ccccc12 ZINC000222601554 557359841 /nfs/dbraw/zinc/35/98/41/557359841.db2.gz XVMNXEWCYIXEDG-UHFFFAOYSA-N 0 0 448.500 4.226 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000222613164 557361750 /nfs/dbraw/zinc/36/17/50/557361750.db2.gz LIENKDFKBOTWRY-UHFFFAOYSA-N 0 0 434.558 4.057 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1Cl ZINC000222668893 557371089 /nfs/dbraw/zinc/37/10/89/557371089.db2.gz CWKLVZUSOVJBNH-LBPRGKRZSA-N 0 0 429.731 4.189 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000222677367 557372552 /nfs/dbraw/zinc/37/25/52/557372552.db2.gz QEEVUNBGZOWUMD-UHFFFAOYSA-N 0 0 436.402 4.169 40 0 IIABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000113956222 557381354 /nfs/dbraw/zinc/38/13/54/557381354.db2.gz MJEGIONFZJXRDM-GOSISDBHSA-N 0 0 446.638 4.303 40 0 IIABRN Cc1cccc(CN(C(=O)CCc2ccc3c(c2)OCCO3)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222743871 557381895 /nfs/dbraw/zinc/38/18/95/557381895.db2.gz BJHIIMMJPOGHNQ-LJQANCHMSA-N 0 0 438.568 4.031 40 0 IIABRN C[C@H](NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000113964361 557382937 /nfs/dbraw/zinc/38/29/37/557382937.db2.gz DSZSYOHDZGXFEL-INIZCTEOSA-N 0 0 444.503 4.422 40 0 IIABRN CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)COc4ccccc4)C3)n2)c1 ZINC000072349062 557385109 /nfs/dbraw/zinc/38/51/09/557385109.db2.gz WSFFRTUTDSCBIO-NRFANRHFSA-N 0 0 429.520 4.492 40 0 IIABRN CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222789657 557387075 /nfs/dbraw/zinc/38/70/75/557387075.db2.gz GXNNBRKESIGZFV-OAQYLSRUSA-N 0 0 430.957 4.354 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)cc1 ZINC000222792477 557387282 /nfs/dbraw/zinc/38/72/82/557387282.db2.gz FHJKFQWVQFOQDQ-UHFFFAOYSA-N 0 0 436.577 4.006 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C(=O)N1CCCC1 ZINC000222791440 557387312 /nfs/dbraw/zinc/38/73/12/557387312.db2.gz NEHGQHISBOWOTQ-UHFFFAOYSA-N 0 0 440.590 4.276 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 ZINC000222801663 557388170 /nfs/dbraw/zinc/38/81/70/557388170.db2.gz DNGWWJQKKVQLLZ-OAQYLSRUSA-N 0 0 432.948 4.059 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSc1ccc(C)cc1 ZINC000222802561 557388207 /nfs/dbraw/zinc/38/82/07/557388207.db2.gz BYLJBMCGYRHDGH-JOCHJYFZSA-N 0 0 428.598 4.428 40 0 IIABRN COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3C(C)(C)C)n2)c(OC)c1 ZINC000222803363 557388394 /nfs/dbraw/zinc/38/83/94/557388394.db2.gz OCNWUPBTBRAITH-UHFFFAOYSA-N 0 0 439.512 4.089 40 0 IIABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)c1 ZINC000072377217 557389321 /nfs/dbraw/zinc/38/93/21/557389321.db2.gz OJUJCAAJMLOEJQ-NRFANRHFSA-N 0 0 436.487 4.006 40 0 IIABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000072377146 557389340 /nfs/dbraw/zinc/38/93/40/557389340.db2.gz AEJZBQOTUFUKHE-QFIPXVFZSA-N 0 0 445.523 4.060 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2Cl)n1C ZINC000013870600 557391577 /nfs/dbraw/zinc/39/15/77/557391577.db2.gz OPMDOJYLWSIIKI-CYBMUJFWSA-N 0 0 432.933 4.348 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSC2CCCCC2)cc1 ZINC000222858507 557395294 /nfs/dbraw/zinc/39/52/94/557395294.db2.gz NVWOGSPQIIXLJD-PGMHBOJBSA-N 0 0 428.554 4.241 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000222866140 557395811 /nfs/dbraw/zinc/39/58/11/557395811.db2.gz UPPQNYYPAMGSTR-CYBMUJFWSA-N 0 0 429.369 4.199 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 ZINC000222868173 557396039 /nfs/dbraw/zinc/39/60/39/557396039.db2.gz SKQNRDIXMZENAM-AREMUKBSSA-N 0 0 444.575 4.322 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222868602 557396133 /nfs/dbraw/zinc/39/61/33/557396133.db2.gz UVNVZIZHRJVNOJ-INIZCTEOSA-N 0 0 434.989 4.384 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000222882738 557397756 /nfs/dbraw/zinc/39/77/56/557397756.db2.gz WFTHIAFMQZUNOA-XMMPIXPASA-N 0 0 440.584 4.495 40 0 IIABRN CC[C@@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222886047 557398204 /nfs/dbraw/zinc/39/82/04/557398204.db2.gz KZWRLANKABOTHG-NRFANRHFSA-N 0 0 448.947 4.493 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222886267 557398214 /nfs/dbraw/zinc/39/82/14/557398214.db2.gz XKZUONBMCAHSBR-JOCHJYFZSA-N 0 0 446.975 4.368 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cccc2ccccc21 ZINC000222888755 557398821 /nfs/dbraw/zinc/39/88/21/557398821.db2.gz RGINVZQXWBZNAP-UHFFFAOYSA-N 0 0 436.577 4.263 40 0 IIABRN COc1cc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1O ZINC000013995254 557401414 /nfs/dbraw/zinc/40/14/14/557401414.db2.gz NENJKUDNPBSWCF-ZUOKHONESA-N 0 0 425.510 4.067 40 0 IIABRN COc1cc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC ZINC000013995266 557401487 /nfs/dbraw/zinc/40/14/87/557401487.db2.gz BAHRPMBXLFOWIT-SPLOXXLWSA-N 0 0 439.537 4.370 40 0 IIABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222918369 557402348 /nfs/dbraw/zinc/40/23/48/557402348.db2.gz JQGLOBVBOGILPB-IBGZPJMESA-N 0 0 434.511 4.111 40 0 IIABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222944965 557406879 /nfs/dbraw/zinc/40/68/79/557406879.db2.gz HNCAOHKRFWCMEB-FGZHOGPDSA-N 0 0 434.565 4.287 40 0 IIABRN C[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222949278 557407356 /nfs/dbraw/zinc/40/73/56/557407356.db2.gz WJOUCYGUTJFPKV-QGZVFWFLSA-N 0 0 432.561 4.128 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000222976013 557410477 /nfs/dbraw/zinc/41/04/77/557410477.db2.gz GZDWXTDLEVSLKM-SFHVURJKSA-N 0 0 444.547 4.109 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000222981060 557411022 /nfs/dbraw/zinc/41/10/22/557411022.db2.gz WNQUNELZERTISJ-KRWDZBQOSA-N 0 0 447.373 4.162 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000222981003 557411052 /nfs/dbraw/zinc/41/10/52/557411052.db2.gz 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CCCC[C@@H](CC)CNC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000260841758 557861190 /nfs/dbraw/zinc/86/11/90/557861190.db2.gz CLJRLLBGYXUWNG-AUSIDOKSSA-N 0 0 444.597 4.117 40 0 IIABRN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC[C@H](C)c1ccccc1 ZINC000260844224 557861762 /nfs/dbraw/zinc/86/17/62/557861762.db2.gz HVDWRJQUXASVPO-SFHVURJKSA-N 0 0 434.561 4.345 40 0 IIABRN CC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675820 560094799 /nfs/dbraw/zinc/09/47/99/560094799.db2.gz BVQKLWZAXOPGLM-NRFANRHFSA-N 0 0 442.479 4.302 40 0 biogenic,in-vitro IIABRN CCN1CCN(Cc2cnc(C(C)C)nc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527771 568613114 /nfs/dbraw/zinc/61/31/14/568613114.db2.gz QMZALLYKMLCAEM-DEOSSOPVSA-N 0 0 443.595 4.185 40 0 IIABRN COc1ccc(OC)c(CC(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)c1 ZINC000257249638 568615712 /nfs/dbraw/zinc/61/57/12/568615712.db2.gz JJDVDBXCLYPLNG-UAPYVXQJSA-N 0 0 434.540 4.122 40 0 IIABRN 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CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000260931036 568630655 /nfs/dbraw/zinc/63/06/55/568630655.db2.gz LWJDGPAHVMEULV-WMZHIEFXSA-N 0 0 446.613 4.433 40 0 IIABRN Cc1cc(C)cc(C2(C(=O)N3CC[C@H](c4n[nH]cc4-c4ccnc(N)c4)C3)CCCC2)c1 ZINC000257200046 568665069 /nfs/dbraw/zinc/66/50/69/568665069.db2.gz ABUKNHDYAVVKMQ-FQEVSTJZSA-N 0 0 429.568 4.499 40 0 IIABRN CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)c4scnc4C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257202015 568666181 /nfs/dbraw/zinc/66/61/81/568666181.db2.gz AKCZLYIOOGEUKX-CZLVRFMKSA-N 0 0 437.609 4.457 40 0 IIABRN Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](Nc3ccccc3Cc3ccccc3)[C@@H]2O)cn1 ZINC000257202970 568666407 /nfs/dbraw/zinc/66/64/07/568666407.db2.gz AOCGWWAFFUZNGJ-CYXNTTPDSA-N 0 0 429.564 4.447 40 0 IIABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5cnccc54)C3)c2)n1 ZINC000257204463 568667171 /nfs/dbraw/zinc/66/71/71/568667171.db2.gz AUSLARCHEVNHJT-NRFANRHFSA-N 0 0 440.547 4.369 40 0 IIABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCC4(C[C@@H](Oc5ccccc5F)CO4)CC3)c2)n1 ZINC000257206552 568668182 /nfs/dbraw/zinc/66/81/82/568668182.db2.gz BDZDVYIULVYTSI-JOCHJYFZSA-N 0 0 449.526 4.471 40 0 IIABRN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)COc4ccccc4OC)C3)o2)cc1 ZINC000257210196 568669813 /nfs/dbraw/zinc/66/98/13/568669813.db2.gz BTQBSMSCYJVXOK-LJQANCHMSA-N 0 0 436.508 4.068 40 0 IIABRN Cc1ccc(C)c(NCC(=O)N2CCC(c3cncc(Nc4ccc(F)cn4)n3)CC2)c1 ZINC000257220157 568674370 /nfs/dbraw/zinc/67/43/70/568674370.db2.gz DJULSUOFSBMCSZ-UHFFFAOYSA-N 0 0 434.519 4.189 40 0 IIABRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(Cn5ccnc5)c4)OCC[C@@]31C2 ZINC000257219870 568674398 /nfs/dbraw/zinc/67/43/98/568674398.db2.gz DIOFCKKWEOCRMR-FKDXMPTGSA-N 0 0 437.584 4.349 40 0 IIABRN Cc1cc(C(=O)N(C)C)nc(C2(C)CCN(C(=O)C3(c4ccccc4)CCCCC3)CC2)n1 ZINC000257223624 568676040 /nfs/dbraw/zinc/67/60/40/568676040.db2.gz DYEXKVSOHOWHMM-UHFFFAOYSA-N 0 0 448.611 4.269 40 0 IIABRN Cc1cccc(C2(C(=O)N3CCC4(C[C@H](Oc5ccccc5)CO4)CC3)CCOCC2)c1 ZINC000257226303 568677370 /nfs/dbraw/zinc/67/73/70/568677370.db2.gz FKBXPTBZMRCEJK-DEOSSOPVSA-N 0 0 435.564 4.272 40 0 IIABRN Cc1cc(Nc2ncc(F)c(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)n2)n[nH]1 ZINC000257227487 568677933 /nfs/dbraw/zinc/67/79/33/568677933.db2.gz FPNXYAQFQWMOCS-UHFFFAOYSA-N 0 0 446.889 4.278 40 0 IIABRN CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2ccccn2)CC1 ZINC000257231261 568679314 /nfs/dbraw/zinc/67/93/14/568679314.db2.gz GFYWDPDZWSQURY-UHFFFAOYSA-N 0 0 447.604 4.340 40 0 IIABRN Cc1nc2cc([C@@H]3CCCCN3Cc3ccccc3F)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257232152 568679863 /nfs/dbraw/zinc/67/98/63/568679863.db2.gz GJQBPQFOHVZDRA-DEOSSOPVSA-N 0 0 449.574 4.424 40 0 IIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC3CC[NH+](C)CC3)CCOCC2)cc1 ZINC000257237988 568682790 /nfs/dbraw/zinc/68/27/90/568682790.db2.gz HJCUJTSYAJSQML-UHFFFAOYSA-N 0 0 440.559 4.051 40 0 IIABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cnn5cc(C)cnc45)C3)c2)cc1 ZINC000257244887 568686134 /nfs/dbraw/zinc/68/61/34/568686134.db2.gz INFNODNMFGGHEH-FQEVSTJZSA-N 0 0 441.535 4.437 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)on1 ZINC000257248075 568687636 /nfs/dbraw/zinc/68/76/36/568687636.db2.gz JBZLUPFHSAGCCH-NRFANRHFSA-N 0 0 431.496 4.330 40 0 IIABRN C[C@]12C[C@@H](c3ccc(F)cc3)N(CC(=O)Nc3ccc(F)cc3)[C@H]1CCCCC(=O)N2 ZINC000257248890 568687905 /nfs/dbraw/zinc/68/79/05/568687905.db2.gz JFRLVPKYBLDFBF-HFMPRLQTSA-N 0 0 427.495 4.168 40 0 IIABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257249269 568688105 /nfs/dbraw/zinc/68/81/05/568688105.db2.gz JHNLNSPUSPZXRQ-LJQANCHMSA-N 0 0 425.492 4.137 40 0 IIABRN Cc1cc(CCCC(=O)N2CCC(c3cncc(Nc4ncccn4)n3)CC2)ccc1F ZINC000257252527 568689614 /nfs/dbraw/zinc/68/96/14/568689614.db2.gz JVCJKEROXCOEQF-UHFFFAOYSA-N 0 0 434.519 4.187 40 0 IIABRN O=C(COc1ccc(F)cc1F)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257253991 568690400 /nfs/dbraw/zinc/69/04/00/568690400.db2.gz KBDMTXLVRBHEJM-MRXNPFEDSA-N 0 0 430.426 4.468 40 0 IIABRN COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5ccnc5C)cc4)OCC[C@@]31C2 ZINC000257256329 568691522 /nfs/dbraw/zinc/69/15/22/568691522.db2.gz KKZMBUKOMFMCES-VSCLMIGZSA-N 0 0 437.584 4.216 40 0 IIABRN CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3cccc(F)c3)nn2c1C ZINC000257261033 568693465 /nfs/dbraw/zinc/69/34/65/568693465.db2.gz LFLUZFJHZIKROF-QHCPKHFHSA-N 0 0 437.563 4.281 40 0 IIABRN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(CC(C)C)nn4C)C3)o2)cc1 ZINC000257261625 568693745 /nfs/dbraw/zinc/69/37/45/568693745.db2.gz LIDUKVGRZUJQAO-IBGZPJMESA-N 0 0 436.556 4.226 40 0 IIABRN CCc1nnsc1C(=O)N1CCO[C@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000257261212 568693900 /nfs/dbraw/zinc/69/39/00/568693900.db2.gz LGERFOOAAKREFH-FQEVSTJZSA-N 0 0 442.972 4.262 40 0 IIABRN Cn1nc([C@@H]2CN(C(=O)c3cc4ccccc4o3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257268679 568696954 /nfs/dbraw/zinc/69/69/54/568696954.db2.gz MMSLDNNNPHOHCI-DEOSSOPVSA-N 0 0 449.482 4.141 40 0 IIABRN 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ZINC000257287201 568705372 /nfs/dbraw/zinc/70/53/72/568705372.db2.gz POXSXECURGTHJY-QFIPXVFZSA-N 0 0 430.474 4.307 40 0 IIABRN O=C(C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1cccc(Cl)c1)N1CCCCC1 ZINC000257287571 568705631 /nfs/dbraw/zinc/70/56/31/568705631.db2.gz PQMVDNUJYLYCJU-LPHOPBHVSA-N 0 0 447.988 4.109 40 0 IIABRN CCc1cc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)on1 ZINC000257288180 568705911 /nfs/dbraw/zinc/70/59/11/568705911.db2.gz PTFRKKQDXONVEU-NRFANRHFSA-N 0 0 445.441 4.455 40 0 IIABRN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000257288651 568706371 /nfs/dbraw/zinc/70/63/71/568706371.db2.gz PVBUOKGYDHNHML-INIZCTEOSA-N 0 0 428.579 4.056 40 0 IIABRN COc1ccccc1C(=O)N1[C@@H]2CCC[C@@H]3N(C(C)=O)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257289964 568706685 /nfs/dbraw/zinc/70/66/85/568706685.db2.gz QAYBJCGOYMKSKY-VUVIEMBPSA-N 0 0 432.564 4.311 40 0 IIABRN O=C(N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2F)CCOCC1 ZINC000257293960 568708468 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441.557 4.231 40 0 IIABRN COc1c(Br)cc(Br)cc1C(=O)Nc1cc(N)ccc1N(C)C ZINC000226261390 569177841 /nfs/dbraw/zinc/17/78/41/569177841.db2.gz KJQIJZVFBXOIDR-UHFFFAOYSA-N 0 0 443.139 4.121 40 0 IIABRN C[C@@H]1CCCC[C@H]1N1C(=O)[C@H](CC(=O)NCCc2ccccc2)n2c3ccccc3nc21 ZINC000248085333 569206962 /nfs/dbraw/zinc/20/69/62/569206962.db2.gz FBCJMFPGNQQYHP-AAIMPIBUSA-N 0 0 430.552 4.252 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc43)C2)cc1C ZINC000009973704 569220228 /nfs/dbraw/zinc/22/02/28/569220228.db2.gz JZCCDFORDSEXTM-LJQANCHMSA-N 0 0 438.549 4.196 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1C ZINC000009974129 569220485 /nfs/dbraw/zinc/22/04/85/569220485.db2.gz QMCJDHBWXJWPQF-LJQANCHMSA-N 0 0 430.570 4.166 40 0 IIABRN CCCCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 ZINC000009974796 569220736 /nfs/dbraw/zinc/22/07/36/569220736.db2.gz WFETYFHKZFLRHO-FQEVSTJZSA-N 0 0 444.597 4.386 40 0 IIABRN Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 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IIABRN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408601079 555969571 /nfs/dbraw/zinc/96/95/71/555969571.db2.gz FBUZBHQKAMNIPQ-UHFFFAOYSA-N 0 0 430.570 4.140 40 0 IIABRN CCCC1=NC(=S)N[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)C1C(=O)OCC ZINC000408602326 555971260 /nfs/dbraw/zinc/97/12/60/555971260.db2.gz BRTSBDIGULETMN-QFIPXVFZSA-N 0 0 440.565 4.410 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000408602794 555971812 /nfs/dbraw/zinc/97/18/12/555971812.db2.gz IYIICJYHJVICHA-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408608773 555979099 /nfs/dbraw/zinc/97/90/99/555979099.db2.gz SFXTYNPCUOJRDV-FQEVSTJZSA-N 0 0 448.466 4.234 40 0 IIABRN Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000408609998 555980110 /nfs/dbraw/zinc/98/01/10/555980110.db2.gz PXTDRXMXCSALBM-HXUWFJFHSA-N 0 0 445.357 4.121 40 0 IIABRN CCOc1cc(C(=O)Nc2cc(F)ccc2C)cc(I)c1OC ZINC000408618808 555982360 /nfs/dbraw/zinc/98/23/60/555982360.db2.gz GUVZQTKOLZBQJH-UHFFFAOYSA-N 0 0 429.229 4.398 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCCCCC2)cc1 ZINC000408614220 555984722 /nfs/dbraw/zinc/98/47/22/555984722.db2.gz ZWAUWUZSGXQZSL-UHFFFAOYSA-N 0 0 442.625 4.458 40 0 IIABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1=O ZINC000408614861 555985827 /nfs/dbraw/zinc/98/58/27/555985827.db2.gz IYFZJSOSMBAAOL-MRXNPFEDSA-N 0 0 439.943 4.312 40 0 IIABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000408614878 555985863 /nfs/dbraw/zinc/98/58/63/555985863.db2.gz JFSGCOQZMAYWCF-IBGZPJMESA-N 0 0 445.494 4.056 40 0 IIABRN O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408615357 555986406 /nfs/dbraw/zinc/98/64/06/555986406.db2.gz PIAXVSCHITUVNM-INIZCTEOSA-N 0 0 439.943 4.394 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1Cl ZINC000408615939 555986804 /nfs/dbraw/zinc/98/68/04/555986804.db2.gz URNLSHKLJXWVNA-UHFFFAOYSA-N 0 0 441.258 4.417 40 0 IIABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000408619845 555988954 /nfs/dbraw/zinc/98/89/54/555988954.db2.gz NYIIOHXRTJGMTN-QGZVFWFLSA-N 0 0 440.521 4.281 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)Cc2ccccc2)cc1 ZINC000408621359 555990247 /nfs/dbraw/zinc/99/02/47/555990247.db2.gz MYAHFSPSRUEASH-UHFFFAOYSA-N 0 0 438.549 4.223 40 0 IIABRN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408623804 555992751 /nfs/dbraw/zinc/99/27/51/555992751.db2.gz ZIVGJCKGGUHDTJ-KRWDZBQOSA-N 0 0 442.968 4.400 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)C2CCCCC2)cc1 ZINC000408626356 555996482 /nfs/dbraw/zinc/99/64/82/555996482.db2.gz YEHXYKJKSYULER-UHFFFAOYSA-N 0 0 430.570 4.356 40 0 IIABRN CC(=O)Oc1ccc([C@]23c4ccccc4[C@@]2(OC(C)=O)c2cc(OC(C)=O)ccc23)cc1 ZINC000004747943 556009524 /nfs/dbraw/zinc/00/95/24/556009524.db2.gz VYVDPFREHHCGMM-CLJLJLNGSA-N 0 0 428.440 4.005 40 0 IIABRN CC(=O)Nc1cccc(-c2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n[nH]2)c1 ZINC000408638240 556015527 /nfs/dbraw/zinc/01/55/27/556015527.db2.gz QDIFBDFPLOKHHI-UHFFFAOYSA-N 0 0 436.324 4.468 40 0 IIABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000408637980 556015574 /nfs/dbraw/zinc/01/55/74/556015574.db2.gz OWPFVUCFQQBGPQ-UHFFFAOYSA-N 0 0 446.960 4.290 40 0 IIABRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000408639793 556016676 /nfs/dbraw/zinc/01/66/76/556016676.db2.gz ZOBVTQUFDSOITB-UHFFFAOYSA-N 0 0 432.299 4.433 40 0 IIABRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 ZINC000408646426 556022056 /nfs/dbraw/zinc/02/20/56/556022056.db2.gz PADCYMPSLQKNIO-LJQANCHMSA-N 0 0 444.487 4.322 40 0 IIABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408649219 556025663 /nfs/dbraw/zinc/02/56/63/556025663.db2.gz KVSRNYOYRZVAMM-CDHQVMDDSA-N 0 0 438.911 4.144 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408651291 556027427 /nfs/dbraw/zinc/02/74/27/556027427.db2.gz DCGMAEAUBZLMGD-SFHVURJKSA-N 0 0 436.508 4.142 40 0 IIABRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c1 ZINC000408653579 556032455 /nfs/dbraw/zinc/03/24/55/556032455.db2.gz JKZTWUWKGUXDSB-UHFFFAOYSA-N 0 0 427.482 4.041 40 0 IIABRN Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 ZINC000408655737 556034337 /nfs/dbraw/zinc/03/43/37/556034337.db2.gz LXZTUYQZJJJYTB-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408654106 556034914 /nfs/dbraw/zinc/03/49/14/556034914.db2.gz JNTQUSHFPZZIDO-DZGCQCFKSA-N 0 0 435.307 4.085 40 0 IIABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 ZINC000408660729 556041003 /nfs/dbraw/zinc/04/10/03/556041003.db2.gz VDOICKODOCBYRX-IBGZPJMESA-N 0 0 444.487 4.322 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)c(C)c1 ZINC000408662204 556043223 /nfs/dbraw/zinc/04/32/23/556043223.db2.gz NIQYXCDGLOFIIS-HBGVWJBISA-N 0 0 448.519 4.025 40 0 IIABRN CC(=O)c1ccc(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408663647 556046640 /nfs/dbraw/zinc/04/66/40/556046640.db2.gz AXFXWFAKGXTHPO-UHFFFAOYSA-N 0 0 430.504 4.073 40 0 IIABRN O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000408666709 556051668 /nfs/dbraw/zinc/05/16/68/556051668.db2.gz OUGWLOZUMIHFCD-UHFFFAOYSA-N 0 0 428.794 4.259 40 0 IIABRN Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)cc1C ZINC000408669258 556054918 /nfs/dbraw/zinc/05/49/18/556054918.db2.gz NVSYCPFHLPXIOE-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000408670576 556058147 /nfs/dbraw/zinc/05/81/47/556058147.db2.gz SQGZCQANZZIJKS-UDZSDVDISA-N 0 0 444.409 4.094 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1C ZINC000408671802 556060045 /nfs/dbraw/zinc/06/00/45/556060045.db2.gz UWBUWZKZKRPYHV-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 ZINC000408671974 556060344 /nfs/dbraw/zinc/06/03/44/556060344.db2.gz URXYLMCRAPIMOJ-FWLHOHQNSA-N 0 0 445.302 4.382 40 0 IIABRN COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@H]2C)OCO4)c(OC)c1 ZINC000005765717 556065124 /nfs/dbraw/zinc/06/51/24/556065124.db2.gz REYIAAMXMFWCTM-LMDNVDAOSA-N 0 0 441.524 4.414 40 0 IIABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000408675586 556068137 /nfs/dbraw/zinc/06/81/37/556068137.db2.gz JGUQMSGFRVMJLC-UHFFFAOYSA-N 0 0 442.562 4.148 40 0 IIABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1S(=O)(=O)NCc1ccccc1 ZINC000408675565 556068180 /nfs/dbraw/zinc/06/81/80/556068180.db2.gz IUZCAFFZPNPGGZ-UHFFFAOYSA-N 0 0 444.940 4.388 40 0 IIABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1S(=O)(=O)NCc1ccccc1 ZINC000408675576 556068230 /nfs/dbraw/zinc/06/82/30/556068230.db2.gz JCGAKUNELLDPTJ-UHFFFAOYSA-N 0 0 442.562 4.148 40 0 IIABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)c1 ZINC000408677710 556071869 /nfs/dbraw/zinc/07/18/69/556071869.db2.gz QXHIOPOLLSONHX-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C(=O)N1CCCCCC1 ZINC000408693311 556093810 /nfs/dbraw/zinc/09/38/10/556093810.db2.gz NQEUGLAXCJMDAT-UHFFFAOYSA-N 0 0 430.570 4.437 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000408693508 556099296 /nfs/dbraw/zinc/09/92/96/556099296.db2.gz YCHWRQWCGXVJHE-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000408699516 556100113 /nfs/dbraw/zinc/10/01/13/556100113.db2.gz XLKUCEJKPZFFPR-UHFFFAOYSA-N 0 0 442.459 4.141 40 0 IIABRN CCOc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000408698107 556101433 /nfs/dbraw/zinc/10/14/33/556101433.db2.gz NRDQQHQLBLNFIE-UHFFFAOYSA-N 0 0 427.460 4.373 40 0 IIABRN CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCCC1 ZINC000408698867 556101661 /nfs/dbraw/zinc/10/16/61/556101661.db2.gz SKGYTPDZAPFQND-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)cc1 ZINC000408700791 556102244 /nfs/dbraw/zinc/10/22/44/556102244.db2.gz LXQRYJCIAQLSKT-FQEVSTJZSA-N 0 0 444.597 4.420 40 0 IIABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC(C)C ZINC000408700356 556102263 /nfs/dbraw/zinc/10/22/63/556102263.db2.gz DPPPNZBSNDXLAN-UHFFFAOYSA-N 0 0 431.341 4.331 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000408700189 556103557 /nfs/dbraw/zinc/10/35/57/556103557.db2.gz BROCLKDBAZJLTI-HXUWFJFHSA-N 0 0 444.597 4.475 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000408700064 556103659 /nfs/dbraw/zinc/10/36/59/556103659.db2.gz ANCIGVIREDWSCX-HXUWFJFHSA-N 0 0 444.597 4.475 40 0 IIABRN CCOc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)NC(C)C ZINC000408701219 556104193 /nfs/dbraw/zinc/10/41/93/556104193.db2.gz UMZRZDDVJNDOTI-UHFFFAOYSA-N 0 0 431.341 4.331 40 0 IIABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(C)cc3)cc2)cc1 ZINC000408701758 556105113 /nfs/dbraw/zinc/10/51/13/556105113.db2.gz FIAOXAXQTVTLPP-UHFFFAOYSA-N 0 0 440.590 4.472 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000408702135 556105759 /nfs/dbraw/zinc/10/57/59/556105759.db2.gz CYFHBGCEMTVMTF-UHFFFAOYSA-N 0 0 436.961 4.330 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000408700834 556105864 /nfs/dbraw/zinc/10/58/64/556105864.db2.gz MQCPNMYYDOGJPN-HXUWFJFHSA-N 0 0 444.597 4.475 40 0 IIABRN O=C(NCc1cccnc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704349 556109543 /nfs/dbraw/zinc/10/95/43/556109543.db2.gz MIQNCBUJQUAGFS-HSZRJFAPSA-N 0 0 437.952 4.439 40 0 IIABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc(C)c1Cl ZINC000408705517 556111545 /nfs/dbraw/zinc/11/15/45/556111545.db2.gz HQHUANJBDANALR-IAGOWNOFSA-N 0 0 430.932 4.272 40 0 IIABRN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(CC)cc1 ZINC000408710071 556116516 /nfs/dbraw/zinc/11/65/16/556116516.db2.gz NRDGXZPOFWCYGU-HXUWFJFHSA-N 0 0 437.584 4.450 40 0 IIABRN COc1ccc(-c2nnc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)o2)cc1OC ZINC000408714215 556127392 /nfs/dbraw/zinc/12/73/92/556127392.db2.gz LNEBAESLXROUEB-CQSZACIVSA-N 0 0 445.903 4.142 40 0 IIABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000408719051 556141881 /nfs/dbraw/zinc/14/18/81/556141881.db2.gz HYENGWPJFASYQC-MSSGHMPVSA-N 0 0 437.495 4.434 40 0 IIABRN Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000008645073 556195696 /nfs/dbraw/zinc/19/56/96/556195696.db2.gz AGBWFXLHECLESM-UHFFFAOYSA-N 0 0 446.722 4.489 40 0 IIABRN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 ZINC000408738863 556200517 /nfs/dbraw/zinc/20/05/17/556200517.db2.gz WNGQERLDBVMBEO-YJBOKZPZSA-N 0 0 443.912 4.036 40 0 IIABRN CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)c1ccccc1 ZINC000408739299 556210004 /nfs/dbraw/zinc/21/00/04/556210004.db2.gz ZKDDHQGALHOLBI-VGSWGCGISA-N 0 0 436.508 4.276 40 0 IIABRN Cc1c(N2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000008819060 556218422 /nfs/dbraw/zinc/21/84/22/556218422.db2.gz KPMBBQWXYRCGDP-ATVHPVEESA-N 0 0 425.897 4.379 40 0 IIABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCc1cccc(F)c1 ZINC000009261153 556269004 /nfs/dbraw/zinc/26/90/04/556269004.db2.gz SDHLSUZCHYBKKT-YBFXNURJSA-N 0 0 445.468 4.013 40 0 IIABRN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(OCc2ccccc2)c1 ZINC000013684669 556275509 /nfs/dbraw/zinc/27/55/09/556275509.db2.gz YISZCGZFMPUHNJ-JOCHJYFZSA-N 0 0 430.504 4.427 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714170 556286056 /nfs/dbraw/zinc/28/60/56/556286056.db2.gz QTXNVPNUHIYNLW-INIZCTEOSA-N 0 0 445.766 4.286 40 0 IIABRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000013714553 556286321 /nfs/dbraw/zinc/28/63/21/556286321.db2.gz WOETXSICZKRVLL-FKBYEOEOSA-N 0 0 434.879 4.400 40 0 IIABRN Cc1ccc(N=C2C(=O)N(c3ccc(O)cc3)[C@@H](c3ccccc3)C2S(C)(=O)=O)cc1 ZINC000009968621 556318947 /nfs/dbraw/zinc/31/89/47/556318947.db2.gz IAQIWDVCOKIIRK-QFIPXVFZSA-N 0 0 434.517 4.157 40 0 IIABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1N1CCCC1 ZINC000010009884 556321806 /nfs/dbraw/zinc/32/18/06/556321806.db2.gz KULNDHCUJOEJJJ-UHFFFAOYSA-N 0 0 435.977 4.189 40 0 IIABRN CCCCn1c2nnc(SCC(=O)Nc3cccc(CC)c3)n2c2ccccc2c1=O ZINC000010051893 556323321 /nfs/dbraw/zinc/32/33/21/556323321.db2.gz RMGLXAJVUIHFMT-UHFFFAOYSA-N 0 0 435.553 4.138 40 0 IIABRN COc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000010112602 556326285 /nfs/dbraw/zinc/32/62/85/556326285.db2.gz HPLNGLOVXMBYJJ-UHFFFAOYSA-N 0 0 438.549 4.167 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccccc2)cc1)c1cccc(Cl)c1 ZINC000010327771 556331767 /nfs/dbraw/zinc/33/17/67/556331767.db2.gz ZHITXYODBNTTSJ-UHFFFAOYSA-N 0 0 442.968 4.279 40 0 IIABRN COc1cc(CN2C(=O)[C@@](O)(CC(C)=O)c3cc(C)cc(C)c32)ccc1OCCC(C)C ZINC000010335466 556332766 /nfs/dbraw/zinc/33/27/66/556332766.db2.gz HVEJLEOEWAEUHO-AREMUKBSSA-N 0 0 439.552 4.450 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2cccc(C)c2)cc1 ZINC000010449725 556335302 /nfs/dbraw/zinc/33/53/02/556335302.db2.gz WDHVMELOJMVTPF-HXUWFJFHSA-N 0 0 434.561 4.477 40 0 IIABRN C[C@@H]1CCCN(C(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)C1 ZINC000010541184 556336540 /nfs/dbraw/zinc/33/65/40/556336540.db2.gz FNOULZXSCWJIML-OAHLLOKOSA-N 0 0 441.380 4.447 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](c2nc(C)n3c(C)c(C)sc23)C1 ZINC000012087569 556400512 /nfs/dbraw/zinc/40/05/12/556400512.db2.gz VLYNDIBGEGKRTH-QGZVFWFLSA-N 0 0 433.599 4.206 40 0 IIABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)Cc3ccc(N(C)C)cc3)cc2)on1 ZINC000012088857 556401838 /nfs/dbraw/zinc/40/18/38/556401838.db2.gz XITAVYQEGWMMBX-UHFFFAOYSA-N 0 0 427.508 4.032 40 0 IIABRN Cn1c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)cc2n(C)c1=O ZINC000214791093 556409416 /nfs/dbraw/zinc/40/94/16/556409416.db2.gz YPBAQDAMIWVJHH-RQZCQDPDSA-N 0 0 448.331 4.420 40 0 IIABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291820 556411734 /nfs/dbraw/zinc/41/17/34/556411734.db2.gz BSDWHWKRLXWAHF-UHFFFAOYSA-N 0 0 442.459 4.141 40 0 IIABRN CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c1 ZINC000014492242 556419413 /nfs/dbraw/zinc/41/94/13/556419413.db2.gz IFVPXTCLDVGDSB-UHFFFAOYSA-N 0 0 437.521 4.031 40 0 IIABRN O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1NC(=O)C(Cl)(Cl)Cl ZINC000039762971 556436716 /nfs/dbraw/zinc/43/67/16/556436716.db2.gz ANFJMPCRKOGZOS-UHFFFAOYSA-N 0 0 425.659 4.298 40 0 IIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1I ZINC000028189131 556444600 /nfs/dbraw/zinc/44/46/00/556444600.db2.gz RWLZYNOZPPUNCF-UHFFFAOYSA-N 0 0 439.278 4.065 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000029384633 556474025 /nfs/dbraw/zinc/47/40/25/556474025.db2.gz BFJUWOIRAFPXHC-UHFFFAOYSA-N 0 0 435.549 4.121 40 0 IIABRN Cc1cc(-c2cnn(CCNC(=O)c3cc(C(C)(C)C)nn3C)c2-c2cccs2)on1 ZINC000013226746 556499655 /nfs/dbraw/zinc/49/96/55/556499655.db2.gz DRSYDFLWPZJAMS-UHFFFAOYSA-N 0 0 438.557 4.036 40 0 IIABRN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c(C)c1 ZINC000013226938 556499699 /nfs/dbraw/zinc/49/96/99/556499699.db2.gz FKDYTCTXNBFIED-GOSISDBHSA-N 0 0 432.524 4.035 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCSc3ccccc3)c2)c1 ZINC000015136592 556505733 /nfs/dbraw/zinc/50/57/33/556505733.db2.gz YZUHONIWRCYLSF-UHFFFAOYSA-N 0 0 426.563 4.318 40 0 IIABRN CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(CC)c2C)C(C)C)nc1C(F)(F)F ZINC000036612245 556506175 /nfs/dbraw/zinc/50/61/75/556506175.db2.gz QUBJYOLJIDBRGK-CMDGGOBGSA-N 0 0 444.479 4.318 40 0 IIABRN Cc1ccc(NC(=O)COc2ccccc2C[NH2+]C[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000036612302 556506450 /nfs/dbraw/zinc/50/64/50/556506450.db2.gz GOWMHDUWFGNUOX-QFIPXVFZSA-N 0 0 432.520 4.361 40 0 IIABRN Cc1ccn(C[C@@H](C)CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)n1 ZINC000036613577 556507487 /nfs/dbraw/zinc/50/74/87/556507487.db2.gz SMZJUBHAUFFSDV-KRWDZBQOSA-N 0 0 442.567 4.236 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030848061 556507850 /nfs/dbraw/zinc/50/78/50/556507850.db2.gz KXFGAOKOJZTWBN-CYBMUJFWSA-N 0 0 445.368 4.036 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2)c1 ZINC000015176381 556508115 /nfs/dbraw/zinc/50/81/15/556508115.db2.gz VTINZXMGWHGIDT-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000030849642 556508470 /nfs/dbraw/zinc/50/84/70/556508470.db2.gz NKKGLRBHZUQZIY-CYBMUJFWSA-N 0 0 445.368 4.036 40 0 IIABRN C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000030851021 556508651 /nfs/dbraw/zinc/50/86/51/556508651.db2.gz LNCGVZRQJONIQL-SCLBCKFNSA-N 0 0 441.380 4.342 40 0 IIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000030853491 556509581 /nfs/dbraw/zinc/50/95/81/556509581.db2.gz WZFWNOQWMKYSAJ-UHFFFAOYSA-N 0 0 438.130 4.380 40 0 IIABRN CCOC(=O)c1cc(NC(=O)c2ccc(I)cc2)ccc1Cl ZINC000030864721 556511933 /nfs/dbraw/zinc/51/19/33/556511933.db2.gz PKJGSYGWXKQTEA-UHFFFAOYSA-N 0 0 429.641 4.374 40 0 IIABRN CCOc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000030867572 556512854 /nfs/dbraw/zinc/51/28/54/556512854.db2.gz OQPYKQFFTSLKGP-UHFFFAOYSA-N 0 0 448.560 4.211 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030869822 556513429 /nfs/dbraw/zinc/51/34/29/556513429.db2.gz RMBQQLNXQXMDGK-KGLIPLIRSA-N 0 0 429.369 4.334 40 0 IIABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015270034 556513954 /nfs/dbraw/zinc/51/39/54/556513954.db2.gz MUWNCROHIWPJIV-UHFFFAOYSA-N 0 0 436.533 4.302 40 0 IIABRN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)NCc3nn(C)c(Cl)c3Cl)c12 ZINC000036616281 556516084 /nfs/dbraw/zinc/51/60/84/556516084.db2.gz QNFVDGZAXOGYHO-UHFFFAOYSA-N 0 0 443.338 4.067 40 0 IIABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581813 556528042 /nfs/dbraw/zinc/52/80/42/556528042.db2.gz IJFGMIUGOPWSHB-UHFFFAOYSA-N 0 0 444.940 4.122 40 0 IIABRN CN(c1ccc2sc(C(=O)Nc3ccc(Br)cc3)cc2c1)S(C)(=O)=O ZINC000013609755 556534427 /nfs/dbraw/zinc/53/44/27/556534427.db2.gz HSBWLCFSNIWYGT-UHFFFAOYSA-N 0 0 439.356 4.312 40 0 IIABRN CCc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000013632154 556539480 /nfs/dbraw/zinc/53/94/80/556539480.db2.gz LZHOOKHUDQTGML-UHFFFAOYSA-N 0 0 434.561 4.342 40 0 IIABRN CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000013632739 556539933 /nfs/dbraw/zinc/53/99/33/556539933.db2.gz UPWYQKRVGKAMMC-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(F)cc1Cl)N2c1cccc(Cl)c1 ZINC000032640441 556545128 /nfs/dbraw/zinc/54/51/28/556545128.db2.gz KTXHUOTWMPVSJH-SJORKVTESA-N 0 0 445.368 4.408 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640957 556545682 /nfs/dbraw/zinc/54/56/82/556545682.db2.gz UPWILLZVFDUYNH-DLBZAZTESA-N 0 0 427.378 4.268 40 0 IIABRN CN(c1ccc(C(=O)NCCSCc2ccccc2)cc1)S(=O)(=O)c1cccs1 ZINC000013677602 556555056 /nfs/dbraw/zinc/55/50/56/556555056.db2.gz KIPFBTHCIMBUSW-UHFFFAOYSA-N 0 0 446.619 4.236 40 0 IIABRN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000013677688 556555186 /nfs/dbraw/zinc/55/51/86/556555186.db2.gz VJHZPXXJFKMIGZ-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013680623 556556291 /nfs/dbraw/zinc/55/62/91/556556291.db2.gz RSTYGKMQNWBQNP-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)S2)cc1 ZINC000016161933 556586507 /nfs/dbraw/zinc/58/65/07/556586507.db2.gz ZKJJNDCSAGXMIO-QGCWPSNUSA-N 0 0 433.327 4.340 40 0 IIABRN Cc1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@H](C=Cc4ccccc4)[C@H]3C2=O)cc1 ZINC000100818652 556591693 /nfs/dbraw/zinc/59/16/93/556591693.db2.gz KIJOSTTWYVGZCQ-JFUBNARDSA-N 0 0 434.542 4.206 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1Br ZINC000016226607 556592720 /nfs/dbraw/zinc/59/27/20/556592720.db2.gz GTXDMMSDSLULJR-UHFFFAOYSA-N 0 0 434.359 4.185 40 0 IIABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016362284 556602899 /nfs/dbraw/zinc/60/28/99/556602899.db2.gz VUMILOBPGKDHMS-UHFFFAOYSA-N 0 0 430.570 4.311 40 0 IIABRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000100918522 556604263 /nfs/dbraw/zinc/60/42/63/556604263.db2.gz FOSNTVDHSDNFAX-FKBYEOEOSA-N 0 0 434.879 4.400 40 0 IIABRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1Cl ZINC000016449283 556608963 /nfs/dbraw/zinc/60/89/63/556608963.db2.gz GSYCOZQSFBTCCP-UHFFFAOYSA-N 0 0 443.878 4.322 40 0 IIABRN O=C(CC(=O)c1ccccc1I)Nc1ccc(Br)cc1 ZINC000016449188 556608968 /nfs/dbraw/zinc/60/89/68/556608968.db2.gz RNQXQFBERIZYSU-UHFFFAOYSA-N 0 0 444.066 4.265 40 0 IIABRN CO[C@@H]1C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O1 ZINC000038359645 556612610 /nfs/dbraw/zinc/61/26/10/556612610.db2.gz RDJPJXIHFSQOKW-KSZLIROESA-N 0 0 425.264 4.137 40 0 IIABRN CCn1c(CC(C)C)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000038536853 556613708 /nfs/dbraw/zinc/61/37/08/556613708.db2.gz DRIBSPYNIKPGAT-UHFFFAOYSA-N 0 0 433.322 4.268 40 0 IIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000038755656 556617794 /nfs/dbraw/zinc/61/77/94/556617794.db2.gz ZPAONCNZWKKMHJ-IBGZPJMESA-N 0 0 439.002 4.050 40 0 IIABRN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000038783372 556619718 /nfs/dbraw/zinc/61/97/18/556619718.db2.gz LNCGVZRQJONIQL-UGSOOPFHSA-N 0 0 441.380 4.342 40 0 IIABRN COCc1nn2c(ncc(C(=O)Nc3ccc(OC)cc3)c2C)c1-c1ccc(OC)cc1 ZINC000038829750 556621028 /nfs/dbraw/zinc/62/10/28/556621028.db2.gz URORONYIRBYJMN-UHFFFAOYSA-N 0 0 432.480 4.121 40 0 IIABRN CC(C)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000038833737 556622030 /nfs/dbraw/zinc/62/20/30/556622030.db2.gz YLAJSRYMJIAYQC-OAQYLSRUSA-N 0 0 430.570 4.273 40 0 IIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000016687816 556625755 /nfs/dbraw/zinc/62/57/55/556625755.db2.gz MZCKGMQPEAUITL-MDWZMJQESA-N 0 0 445.544 4.379 40 0 IIABRN COc1ccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000514290230 556626060 /nfs/dbraw/zinc/62/60/60/556626060.db2.gz WAKDKFMGSWTCAG-OHSXHVKISA-N 0 0 448.538 4.331 40 0 biogenic,in-vitro IIABRN COCc1nn2c(nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(F)cc1 ZINC000039963921 556630677 /nfs/dbraw/zinc/63/06/77/556630677.db2.gz HSAUCMQOORTIOG-UHFFFAOYSA-N 0 0 425.851 4.291 40 0 IIABRN CCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000039985587 556632179 /nfs/dbraw/zinc/63/21/79/556632179.db2.gz QOPMSBZKQXFCJA-UHFFFAOYSA-N 0 0 439.723 4.435 40 0 IIABRN CCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000039985750 556632245 /nfs/dbraw/zinc/63/22/45/556632245.db2.gz TURODXZVFGEFDV-UHFFFAOYSA-N 0 0 438.830 4.147 40 0 IIABRN O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000017086210 556657432 /nfs/dbraw/zinc/65/74/32/556657432.db2.gz WOLATHWFPIIVBS-DEDYPNTBSA-N 0 0 441.411 4.077 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 ZINC000044849288 556670220 /nfs/dbraw/zinc/67/02/20/556670220.db2.gz CDEFVXMRLZVJOL-JOCHJYFZSA-N 0 0 449.016 4.458 40 0 IIABRN COc1ccc([C@H]2S/C(=C/c3cccc(O)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219288 556673673 /nfs/dbraw/zinc/67/36/73/556673673.db2.gz KKTNGNNGKIPZHV-WNRWPCNTSA-N 0 0 446.528 4.290 40 0 IIABRN CC1(C)CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000044883765 556674818 /nfs/dbraw/zinc/67/48/18/556674818.db2.gz YTVSREBTMWNUHX-UHFFFAOYSA-N 0 0 447.428 4.184 40 0 IIABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000044900022 556676974 /nfs/dbraw/zinc/67/69/74/556676974.db2.gz BIOBAIYDIIQOQR-QHCPKHFHSA-N 0 0 438.549 4.401 40 0 IIABRN Cc1ccc([C@H](NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044902037 556678133 /nfs/dbraw/zinc/67/81/33/556678133.db2.gz HNZCVZRCGNBQRC-FDDCHVKYSA-N 0 0 440.540 4.194 40 0 IIABRN COc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000044906659 556680105 /nfs/dbraw/zinc/68/01/05/556680105.db2.gz WUVPGPBPQYSPDA-UHFFFAOYSA-N 0 0 445.401 4.419 40 0 IIABRN CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(C)cc1 ZINC000044935974 556682680 /nfs/dbraw/zinc/68/26/80/556682680.db2.gz MSYWWMNRHNHHOD-DENIHFKCSA-N 0 0 444.597 4.087 40 0 IIABRN CN(C)S(=O)(=O)N(Cc1ccc(C(=O)N(C)C2CCCCC2)cc1)c1ccccc1F ZINC000044947170 556683784 /nfs/dbraw/zinc/68/37/84/556683784.db2.gz YXBGRIACELGNDJ-UHFFFAOYSA-N 0 0 447.576 4.043 40 0 IIABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000136472006 556689605 /nfs/dbraw/zinc/68/96/05/556689605.db2.gz KHWAVBYANPTJJF-FDFHNCONSA-N 0 0 434.879 4.400 40 0 IIABRN COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000018547181 556690137 /nfs/dbraw/zinc/69/01/37/556690137.db2.gz WAFIIBQPPQJQFX-NSHDSACASA-N 0 0 428.710 4.376 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1ccccc1F ZINC000000778425 556693272 /nfs/dbraw/zinc/69/32/72/556693272.db2.gz SAOOYPCWBGYRKT-UHFFFAOYSA-N 0 0 442.468 4.495 40 0 IIABRN CCOc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccncc2)cc1 ZINC000000796346 556695084 /nfs/dbraw/zinc/69/50/84/556695084.db2.gz XHCHBUGDRIYOLL-QGZVFWFLSA-N 0 0 437.569 4.221 40 0 IIABRN O=S(=O)(NC1CCCCC1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000797218 556695736 /nfs/dbraw/zinc/69/57/36/556695736.db2.gz MNWSZEREIINMAW-UHFFFAOYSA-N 0 0 448.393 4.437 40 0 IIABRN COc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000000800250 556696334 /nfs/dbraw/zinc/69/63/34/556696334.db2.gz XPUCSHXXBJWETF-KRWDZBQOSA-N 0 0 426.460 4.452 40 0 IIABRN CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC2CCCCC2)CC1 ZINC000019085165 556698830 /nfs/dbraw/zinc/69/88/30/556698830.db2.gz AZOVQCDIRZUBSM-QFIPXVFZSA-N 0 0 439.600 4.283 40 0 IIABRN Cc1cc2ncn(CCC(=O)N3CCCC[C@@H]3CCNC(=O)c3ccccc3)c2cc1C ZINC000257219084 556700867 /nfs/dbraw/zinc/70/08/67/556700867.db2.gz DFNANHNWZHLBRU-JOCHJYFZSA-N 0 0 432.568 4.244 40 0 IIABRN Cn1nc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257204427 556701606 /nfs/dbraw/zinc/70/16/06/556701606.db2.gz AUONFSWHWSNJLM-SANMLTNESA-N 0 0 446.526 4.302 40 0 IIABRN O=C(N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2)C1(c2ccccc2)CCCC1 ZINC000257209287 556702232 /nfs/dbraw/zinc/70/22/32/556702232.db2.gz BPTOUESJOPAPPU-RXFWQSSRSA-N 0 0 438.518 4.442 40 0 IIABRN Cc1cc(-c2cnc(NCc3cccs3)nc2-c2ccc(N3CCOCC3)nc2)on1 ZINC000019124035 556702517 /nfs/dbraw/zinc/70/25/17/556702517.db2.gz HXMYEAUGVMNVNO-UHFFFAOYSA-N 0 0 434.525 4.012 40 0 IIABRN Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2-c2ccc(N3CCOCC3)nc2)on1 ZINC000019124027 556702521 /nfs/dbraw/zinc/70/25/21/556702521.db2.gz HLNHDRVEDNQUPG-UHFFFAOYSA-N 0 0 446.486 4.090 40 0 IIABRN COc1ccc(C)cc1CC(=O)N[C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019133094 556705051 /nfs/dbraw/zinc/70/50/51/556705051.db2.gz UVHAGQLQHAPXHD-FQEVSTJZSA-N 0 0 425.916 4.104 40 0 IIABRN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(Cc2cccs2)C3)cc1 ZINC000019135413 556706188 /nfs/dbraw/zinc/70/61/88/556706188.db2.gz MZEOLJCUGJAYLX-QFIPXVFZSA-N 0 0 448.592 4.478 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC000019135630 556706244 /nfs/dbraw/zinc/70/62/44/556706244.db2.gz YTIPDSHWXWYYAM-PIKZIKFNSA-N 0 0 441.575 4.368 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCC[C@H](Cn4nc(-c5cccs5)ccc4=O)C3)CC2)cc1 ZINC000019136837 556706353 /nfs/dbraw/zinc/70/63/53/556706353.db2.gz XZCOZLCYRFOKGO-IBGZPJMESA-N 0 0 433.577 4.251 40 0 IIABRN Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2C)cc1 ZINC000019135994 556706453 /nfs/dbraw/zinc/70/64/53/556706453.db2.gz QCPWWMCWAMMCHA-WMZHIEFXSA-N 0 0 444.583 4.253 40 0 IIABRN COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)Cc2ccc(C)cc2)CCNC1=O ZINC000019209794 556708840 /nfs/dbraw/zinc/70/88/40/556708840.db2.gz KYXOTMVQDAIRGB-HSZRJFAPSA-N 0 0 442.559 4.030 40 0 IIABRN COc1cccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccc(C)cc3)C2)c1 ZINC000019212866 556710575 /nfs/dbraw/zinc/71/05/75/556710575.db2.gz PFGIRFLKQVYJDO-DEOSSOPVSA-N 0 0 442.559 4.030 40 0 IIABRN O=C(N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2)C1(c2ccccc2F)CCCC1 ZINC000257253992 556711981 /nfs/dbraw/zinc/71/19/81/556711981.db2.gz KBDRADVMJQUBGI-HFZDXXHNSA-N 0 0 438.518 4.442 40 0 IIABRN COc1c(C(C)C)cc(NC(=O)Cn2nc(-c3ccc(C)o3)cc(N)c2=O)cc1C(C)C ZINC000019216743 556712202 /nfs/dbraw/zinc/71/22/02/556712202.db2.gz BSKYSPMXTFXCOW-UHFFFAOYSA-N 0 0 438.528 4.288 40 0 IIABRN O=C(c1ccccc1Cn1cccn1)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000257261297 556712661 /nfs/dbraw/zinc/71/26/61/556712661.db2.gz LGPJXZIVRZBEMS-VWLOTQADSA-N 0 0 441.510 4.429 40 0 IIABRN COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCCCn3ccnc3)CCCO2)c1 ZINC000257279609 556714857 /nfs/dbraw/zinc/71/48/57/556714857.db2.gz OHJBTQKTUMGADF-AREMUKBSSA-N 0 0 433.552 4.247 40 0 IIABRN Cc1[nH]c2ccc(CNC(=O)CN3CCOC[C@H](Cc4cccc5occc54)C3)cc2c1C ZINC000257291291 556716349 /nfs/dbraw/zinc/71/63/49/556716349.db2.gz QGJJRJVPFSLRLV-OAQYLSRUSA-N 0 0 445.563 4.338 40 0 IIABRN Cc1cccc(OCCCC(=O)N2CCO[C@@H](c3nc(-c4ccccc4C)no3)C2)c1C ZINC000019237482 556722139 /nfs/dbraw/zinc/72/21/39/556722139.db2.gz OKNXSFMBKLPZDS-JOCHJYFZSA-N 0 0 435.524 4.421 40 0 IIABRN Cc1c(C)n(C)c2ccc(C(=O)N3CCO[C@@H](c4nc(-c5ccccc5C)no4)C3)cc12 ZINC000019237515 556722410 /nfs/dbraw/zinc/72/24/10/556722410.db2.gz CNHIKQQMUNVLTE-JOCHJYFZSA-N 0 0 430.508 4.367 40 0 IIABRN Cc1ccccc1-c1noc([C@H]2CN(C(=O)CCc3cn(C)c4ccccc34)CCO2)n1 ZINC000019237488 556722414 /nfs/dbraw/zinc/72/24/14/556722414.db2.gz YSBHVFGVOBQSIQ-JOCHJYFZSA-N 0 0 430.508 4.069 40 0 IIABRN Cc1cnccc1-c1cnc(C)nc1[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)nn1C ZINC000019239743 556725472 /nfs/dbraw/zinc/72/54/72/556725472.db2.gz HJOYNHJGMZQAPZ-QGZVFWFLSA-N 0 0 444.461 4.275 40 0 IIABRN Cc1cnn(CC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)c1 ZINC000019239908 556725973 /nfs/dbraw/zinc/72/59/73/556725973.db2.gz PGFGCGJUCQSUHW-AWEZNQCLSA-N 0 0 435.475 4.135 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2)sc1NC(=O)COc1ccccc1 ZINC000000872005 556727075 /nfs/dbraw/zinc/72/70/75/556727075.db2.gz WZLVIRZYKBGMFF-UHFFFAOYSA-N 0 0 438.505 4.421 40 0 IIABRN Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000000874876 556728239 /nfs/dbraw/zinc/72/82/39/556728239.db2.gz YIELRPUSACTYDD-NRFANRHFSA-N 0 0 435.593 4.201 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3cc2N)C1 ZINC000019288229 556728573 /nfs/dbraw/zinc/72/85/73/556728573.db2.gz HEWIUAXLVIXEMZ-NRFANRHFSA-N 0 0 425.536 4.390 40 0 IIABRN CCc1nnc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)s1 ZINC000000876579 556729355 /nfs/dbraw/zinc/72/93/55/556729355.db2.gz JIMZNIVCHIKICL-UHFFFAOYSA-N 0 0 436.566 4.387 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccccc3)cc12 ZINC000000878596 556730390 /nfs/dbraw/zinc/73/03/90/556730390.db2.gz YECPUSFMFRTWAI-NRFANRHFSA-N 0 0 435.593 4.201 40 0 IIABRN Cc1cc(S(=O)(=O)n2cnc3ccccc32)c(Br)cc1Br ZINC000054363007 556730496 /nfs/dbraw/zinc/73/04/96/556730496.db2.gz YHEYNYNGKMIXBL-UHFFFAOYSA-N 0 0 430.121 4.107 40 0 IIABRN Cc1cc2cc(CN(Cc3ccccc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000000878747 556730573 /nfs/dbraw/zinc/73/05/73/556730573.db2.gz DPSMOBLJAHBEDR-JOCHJYFZSA-N 0 0 435.593 4.201 40 0 IIABRN COc1cccc(-c2cnc(NCc3cc(OC)cc(OC)c3)nc2-c2nccn2C)c1 ZINC000019291696 556731502 /nfs/dbraw/zinc/73/15/02/556731502.db2.gz OBHZRWUQMUMBEW-UHFFFAOYSA-N 0 0 431.496 4.182 40 0 IIABRN COc1ccc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(OC(C)=O)cc(C)c32)cc1 ZINC000000881835 556732884 /nfs/dbraw/zinc/73/28/84/556732884.db2.gz GJPUAQJHIDTDIY-YADARESESA-N 0 0 440.565 4.186 40 0 IIABRN O=C(N1CCC2(CC1)NC(=O)c1cc(Cl)ccc1N2)C1(c2ccc(Cl)cc2)CC1 ZINC000019332715 556737568 /nfs/dbraw/zinc/73/75/68/556737568.db2.gz SZINABCARLWZGY-UHFFFAOYSA-N 0 0 430.335 4.199 40 0 IIABRN Nc1nc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)cs1 ZINC000019344392 556742055 /nfs/dbraw/zinc/74/20/55/556742055.db2.gz GUFADGJQQOAREA-SNVBAGLBSA-N 0 0 439.488 4.282 40 0 IIABRN COC(=O)c1cccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c1 ZINC000000903163 556742558 /nfs/dbraw/zinc/74/25/58/556742558.db2.gz VZPSIEOOBMGDRB-UHFFFAOYSA-N 0 0 434.521 4.325 40 0 IIABRN COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000000903633 556742851 /nfs/dbraw/zinc/74/28/51/556742851.db2.gz QVENYNHJGYLOHX-UHFFFAOYSA-N 0 0 436.533 4.003 40 0 IIABRN O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 ZINC000019368813 556746683 /nfs/dbraw/zinc/74/66/83/556746683.db2.gz AQJFTKVRKMABSI-NRFANRHFSA-N 0 0 434.565 4.169 40 0 IIABRN COc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccccc3F)cc2c1 ZINC000000918036 556747891 /nfs/dbraw/zinc/74/78/91/556747891.db2.gz KMZRFFLBQDMOLL-UHFFFAOYSA-N 0 0 444.528 4.199 40 0 IIABRN O=C(COC[C@@H]1CCCO1)N1CCC[C@H](c2nc(Nc3ccccc3)n3ccsc23)C1 ZINC000019373374 556750354 /nfs/dbraw/zinc/75/03/54/556750354.db2.gz KDLFPQMWFIGDPR-HKUYNNGSSA-N 0 0 440.569 4.041 40 0 IIABRN Cc1cccc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c12 ZINC000000923820 556751667 /nfs/dbraw/zinc/75/16/67/556751667.db2.gz HRAVQSCOZYJALI-UHFFFAOYSA-N 0 0 428.529 4.499 40 0 IIABRN O=C(c1ccccn1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019399888 556752567 /nfs/dbraw/zinc/75/25/67/556752567.db2.gz VDWMTVPGUNFIFE-SFHVURJKSA-N 0 0 440.482 4.446 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C(C)(C)C)Cc3ccccc3)cc12 ZINC000000926881 556753522 /nfs/dbraw/zinc/75/35/22/556753522.db2.gz CQEAVFXUEMKJSU-UHFFFAOYSA-N 0 0 430.556 4.089 40 0 IIABRN CCn1c(SCc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000929935 556755825 /nfs/dbraw/zinc/75/58/25/556755825.db2.gz DGUVSZRYMSTTGC-UHFFFAOYSA-N 0 0 442.610 4.432 40 0 IIABRN O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000058058867 556756012 /nfs/dbraw/zinc/75/60/12/556756012.db2.gz FVIUSMXIJOMEIL-UHFFFAOYSA-N 0 0 434.876 4.297 40 0 IIABRN CC(C)Cc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2C(=O)N3)c2ccccc2n1 ZINC000019447435 556756743 /nfs/dbraw/zinc/75/67/43/556756743.db2.gz OJUYHFCKQSNTRA-UHFFFAOYSA-N 0 0 428.536 4.221 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCc3ccccc3)cc2c1 ZINC000000931481 556756808 /nfs/dbraw/zinc/75/68/08/556756808.db2.gz RCIHVLLSVBUGEI-HSZRJFAPSA-N 0 0 449.620 4.243 40 0 IIABRN C[C@H](C(=O)N1c2ccccc2CCc2ccccc21)n1nnc(-c2ccc(N(C)C)cc2)n1 ZINC000000932087 556757925 /nfs/dbraw/zinc/75/79/25/556757925.db2.gz MSXHZMFIPHCLKN-GOSISDBHSA-N 0 0 438.535 4.431 40 0 aggregator IIABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cccnc2)C1 ZINC000019448863 556758716 /nfs/dbraw/zinc/75/87/16/556758716.db2.gz TYNVDGIYKGELCJ-HHHXNRCGSA-N 0 0 442.563 4.133 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000019449041 556759247 /nfs/dbraw/zinc/75/92/47/556759247.db2.gz FCLZITYHQYCNBR-KCWPFWIISA-N 0 0 431.580 4.225 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)C1 ZINC000019449274 556759632 /nfs/dbraw/zinc/75/96/32/556759632.db2.gz QKDDMRANOABQFD-MUUNZHRXSA-N 0 0 441.575 4.277 40 0 IIABRN COc1ncc(CN2CCC[C@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019452298 556763176 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COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cc1 ZINC000019755048 556898306 /nfs/dbraw/zinc/89/83/06/556898306.db2.gz IZQZKNBIGYXOPI-JOCHJYFZSA-N 0 0 448.498 4.091 40 0 IIABRN CCOc1ccc(CCC(=O)N2CC[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1 ZINC000019756921 556900922 /nfs/dbraw/zinc/90/09/22/556900922.db2.gz FKNZDYAWUKCSRI-HXUWFJFHSA-N 0 0 445.563 4.284 40 0 IIABRN O=C(c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000408976156 556906276 /nfs/dbraw/zinc/90/62/76/556906276.db2.gz PSHIOTQMEGRDFC-LJQANCHMSA-N 0 0 448.482 4.060 40 0 IIABRN Cc1ccc(CC(=O)N2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)cc1C ZINC000019762443 556906979 /nfs/dbraw/zinc/90/69/79/556906979.db2.gz FRAVQGHUQHVWED-VWLOTQADSA-N 0 0 445.563 4.132 40 0 IIABRN Cn1c(=O)c2c(-c3ccc(-c4ccccc4)cc3)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O ZINC000408983413 556908285 /nfs/dbraw/zinc/90/82/85/556908285.db2.gz KHOHXQJOYYHZGX-VWLOTQADSA-N 0 0 447.494 4.028 40 0 IIABRN 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556915134 /nfs/dbraw/zinc/91/51/34/556915134.db2.gz PCNYKGGWYLYUJP-UHFFFAOYSA-N 0 0 432.904 4.309 40 0 IIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072346214 556917493 /nfs/dbraw/zinc/91/74/93/556917493.db2.gz BBGSSQSRGIVJON-MRXNPFEDSA-N 0 0 440.906 4.303 40 0 IIABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409011660 556918162 /nfs/dbraw/zinc/91/81/62/556918162.db2.gz HCZXSGNHLHCPDZ-BTAWCLGRSA-N 0 0 427.906 4.125 40 0 IIABRN Cc1nc2cc([C@H]3CCCN3Cc3cccc(F)c3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351276 556920938 /nfs/dbraw/zinc/92/09/38/556920938.db2.gz GNMACDMSYXRMNY-HSZRJFAPSA-N 0 0 437.563 4.280 40 0 IIABRN O=C(NCCO)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000072352161 556923047 /nfs/dbraw/zinc/92/30/47/556923047.db2.gz QXDBHRVKRNCIRP-FQEVSTJZSA-N 0 0 448.588 4.132 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(O)cc1 ZINC000019820236 556923731 /nfs/dbraw/zinc/92/37/31/556923731.db2.gz IIFHLLMAINRLMB-GOTSBHOMSA-N 0 0 441.487 4.057 40 0 IIABRN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(I)cc3)CC2)cc1 ZINC000409023927 556923753 /nfs/dbraw/zinc/92/37/53/556923753.db2.gz NKOUTJJUTDSHQY-UHFFFAOYSA-N 0 0 448.304 4.091 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000019820449 556923898 /nfs/dbraw/zinc/92/38/98/556923898.db2.gz WFZWKEOJEXUSCK-BJKOFHAPSA-N 0 0 439.515 4.394 40 0 IIABRN COc1ccc(C)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409027857 556924587 /nfs/dbraw/zinc/92/45/87/556924587.db2.gz ULGZNDQKIUHDIK-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000409028671 556924958 /nfs/dbraw/zinc/92/49/58/556924958.db2.gz PXAQHVBQGUHXIY-UHFFFAOYSA-N 0 0 438.899 4.132 40 0 IIABRN COc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc(OC)c1OC ZINC000409024939 556925636 /nfs/dbraw/zinc/92/56/36/556925636.db2.gz ZQFSDUHEURJXCG-UHFFFAOYSA-N 0 0 446.931 4.165 40 0 IIABRN COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000072353294 556926208 /nfs/dbraw/zinc/92/62/08/556926208.db2.gz POQUKSFFOVWNGT-GOSISDBHSA-N 0 0 447.539 4.269 40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000072353642 556927484 /nfs/dbraw/zinc/92/74/84/556927484.db2.gz MEWTWMLUYYCRCY-IBGZPJMESA-N 0 0 425.536 4.464 40 0 IIABRN Cc1nonc1NC(=O)CN1CCC[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072353922 556928631 /nfs/dbraw/zinc/92/86/31/556928631.db2.gz CWEZGYOXRUITAX-LJQANCHMSA-N 0 0 439.947 4.144 40 0 IIABRN Cc1nc(C)n(CC(=O)N2CCC[C@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)n1 ZINC000072354151 556929146 /nfs/dbraw/zinc/92/91/46/556929146.db2.gz GHIOHAIMLUFBBJ-NRFANRHFSA-N 0 0 437.975 4.249 40 0 IIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 ZINC000072354917 556930116 /nfs/dbraw/zinc/93/01/16/556930116.db2.gz UAPDXWCMLLHGOC-LJQANCHMSA-N 0 0 426.879 4.261 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860136 556932352 /nfs/dbraw/zinc/93/23/52/556932352.db2.gz SMHAGNPAZOXWBS-HNNXBMFYSA-N 0 0 427.353 4.174 40 0 IIABRN O=C(NC1CCCCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860567 556932855 /nfs/dbraw/zinc/93/28/55/556932855.db2.gz GWEYTFIGXVUQPR-SFHVURJKSA-N 0 0 427.010 4.111 40 0 IIABRN Cc1cnc(Nc2cc([C@H]3CCCN3C(=O)Cn3cnc4ccccc43)nc(C)n2)s1 ZINC000072359913 556933270 /nfs/dbraw/zinc/93/32/70/556933270.db2.gz OKMPQWZLCFVHCB-LJQANCHMSA-N 0 0 433.541 4.007 40 0 IIABRN NC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1cn2cc(Cl)ccc2n1 ZINC000072370299 556934426 /nfs/dbraw/zinc/93/44/26/556934426.db2.gz UBLGXZZBZGEQHE-AWEZNQCLSA-N 0 0 438.940 4.149 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019866256 556934506 /nfs/dbraw/zinc/93/45/06/556934506.db2.gz BUCCZLWDPPSKAG-AZUAARDMSA-N 0 0 449.016 4.376 40 0 IIABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000019867720 556934879 /nfs/dbraw/zinc/93/48/79/556934879.db2.gz REFLUOFAXFKILC-UHFFFAOYSA-N 0 0 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557377675 /nfs/dbraw/zinc/37/76/75/557377675.db2.gz ATCNWPFTLSDSBP-UHFFFAOYSA-N 0 0 436.306 4.188 40 0 IIABRN Cc1ccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000113940840 557379988 /nfs/dbraw/zinc/37/99/88/557379988.db2.gz MDBJCXPUJOYWEH-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000222727723 557380054 /nfs/dbraw/zinc/38/00/54/557380054.db2.gz TVKJTSRUYQWZLG-GFCCVEGCSA-N 0 0 429.731 4.189 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1cccc(OC(C)C)c1 ZINC000113943335 557380208 /nfs/dbraw/zinc/38/02/08/557380208.db2.gz FDXMBRRSVVOPMK-UHFFFAOYSA-N 0 0 444.597 4.133 40 0 IIABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 ZINC000113966108 557384106 /nfs/dbraw/zinc/38/41/06/557384106.db2.gz LLISURYDSBCJRR-UHFFFAOYSA-N 0 0 440.540 4.339 40 0 IIABRN CC[C@@H](NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000113966704 557384148 /nfs/dbraw/zinc/38/41/48/557384148.db2.gz SJGNVEMUJPFBEV-JOCHJYFZSA-N 0 0 432.586 4.126 40 0 IIABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1 ZINC000222765964 557384476 /nfs/dbraw/zinc/38/44/76/557384476.db2.gz CPAWYHJPLJEQGY-NRFANRHFSA-N 0 0 430.548 4.362 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222777085 557385944 /nfs/dbraw/zinc/38/59/44/557385944.db2.gz ASGIAXZAKREMDY-LLVKDONJSA-N 0 0 431.722 4.492 40 0 IIABRN CCC1=CO[C@H]([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)[C@H](CC)C1 ZINC000013776473 557388423 /nfs/dbraw/zinc/38/84/23/557388423.db2.gz VKEITNXIIIWQNR-PLFWLVBQSA-N 0 0 446.547 4.470 40 0 IIABRN Cc1ccccc1OCCN(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000072371008 557388736 /nfs/dbraw/zinc/38/87/36/557388736.db2.gz BILRVOKAXWEPQQ-UHFFFAOYSA-N 0 0 444.579 4.126 40 0 IIABRN Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1I ZINC000222816443 557389867 /nfs/dbraw/zinc/38/98/67/557389867.db2.gz KQLDKVJGLVTSQE-JKSUJKDBSA-N 0 0 440.354 4.012 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccccc1 ZINC000222838540 557392139 /nfs/dbraw/zinc/39/21/39/557392139.db2.gz LRCUAIGQJDIFBR-DEOSSOPVSA-N 0 0 448.588 4.173 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222861191 557395337 /nfs/dbraw/zinc/39/53/37/557395337.db2.gz DTFQPAIVKSYNAI-FQEVSTJZSA-N 0 0 430.548 4.381 40 0 IIABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)NCc1ccccc1 ZINC000013844358 557395299 /nfs/dbraw/zinc/39/52/99/557395299.db2.gz GDLVGLLDAHUKSL-UHFFFAOYSA-N 0 0 437.352 4.109 40 0 IIABRN CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1OC ZINC000013924306 557396486 /nfs/dbraw/zinc/39/64/86/557396486.db2.gz ZTVQESOIKMTKSR-GDNBJRDFSA-N 0 0 430.254 4.118 40 0 IIABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222881726 557397487 /nfs/dbraw/zinc/39/74/87/557397487.db2.gz VJDZBIVEROAAGP-QGZVFWFLSA-N 0 0 434.939 4.438 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000222882426 557397752 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ZINC000223025897 557416947 /nfs/dbraw/zinc/41/69/47/557416947.db2.gz ZDXXFGXFCGZLJI-GOSISDBHSA-N 0 0 428.598 4.428 40 0 IIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223043148 557420252 /nfs/dbraw/zinc/42/02/52/557420252.db2.gz GVDVJVYCBHOKOO-NHCUHLMSSA-N 0 0 449.605 4.491 40 0 IIABRN COc1cccc(CN(C(=O)CCCOc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223046387 557420679 /nfs/dbraw/zinc/42/06/79/557420679.db2.gz ILSLARXWHBWDHY-FQEVSTJZSA-N 0 0 440.584 4.495 40 0 IIABRN Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000223047948 557420957 /nfs/dbraw/zinc/42/09/57/557420957.db2.gz DDUJBXMSKVQWTL-UHFFFAOYSA-N 0 0 448.588 4.386 40 0 IIABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223052152 557421811 /nfs/dbraw/zinc/42/18/11/557421811.db2.gz QRTWZPVUZKZCIH-JPYJTQIMSA-N 0 0 428.598 4.296 40 0 IIABRN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000014162571 557424660 /nfs/dbraw/zinc/42/46/60/557424660.db2.gz 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CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223073814 557426426 /nfs/dbraw/zinc/42/64/26/557426426.db2.gz LSOGDMBBPGWESD-QGZVFWFLSA-N 0 0 431.374 4.162 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000014155875 557427349 /nfs/dbraw/zinc/42/73/49/557427349.db2.gz XMGVEBNUIPSWJH-UHFFFAOYSA-N 0 0 446.475 4.198 40 0 IIABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223082106 557428231 /nfs/dbraw/zinc/42/82/31/557428231.db2.gz XYEMNRMQPORIKF-MRXNPFEDSA-N 0 0 432.948 4.059 40 0 IIABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccccc4Cl)c3C)nn12 ZINC000014269140 557428274 /nfs/dbraw/zinc/42/82/74/557428274.db2.gz LUYQVEYVUVUQMN-UHFFFAOYSA-N 0 0 442.957 4.250 40 0 IIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc2c(c1)CCCC2 ZINC000223089816 557429721 /nfs/dbraw/zinc/42/97/21/557429721.db2.gz CWVDQINTQQVCKY-NRFANRHFSA-N 0 0 442.581 4.130 40 0 IIABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000014271599 557430743 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ZINC000223158577 557440035 /nfs/dbraw/zinc/44/00/35/557440035.db2.gz RUIFYAKIKDWHLL-LJQANCHMSA-N 0 0 434.561 4.248 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 ZINC000223169216 557441005 /nfs/dbraw/zinc/44/10/05/557441005.db2.gz HPUFYGPMDUIZSY-SANMLTNESA-N 0 0 444.575 4.322 40 0 IIABRN C[C@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223175071 557441566 /nfs/dbraw/zinc/44/15/66/557441566.db2.gz DIDQIODHDJYURN-ZDUSSCGKSA-N 0 0 441.380 4.126 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000223178739 557442218 /nfs/dbraw/zinc/44/22/18/557442218.db2.gz PUYDDBKAKZJNDR-RUZDIDTESA-N 0 0 444.575 4.458 40 0 IIABRN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000223190371 557443614 /nfs/dbraw/zinc/44/36/14/557443614.db2.gz PFFLKZBPCLVPHH-VWLOTQADSA-N 0 0 434.511 4.111 40 0 IIABRN COC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000014411513 557444589 /nfs/dbraw/zinc/44/45/89/557444589.db2.gz AENQQHNSHYRCOR-XMMPIXPASA-N 0 0 446.528 4.500 40 0 IIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOC(C)C ZINC000223195847 557444580 /nfs/dbraw/zinc/44/45/80/557444580.db2.gz GFLWOPFHANDHFR-HSZRJFAPSA-N 0 0 428.548 4.107 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(F)cc2)cc1 ZINC000014411696 557444627 /nfs/dbraw/zinc/44/46/27/557444627.db2.gz RNZAVMVJXQFFKZ-UHFFFAOYSA-N 0 0 434.439 4.246 40 0 IIABRN COc1ccc(Cl)cc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000014412448 557444917 /nfs/dbraw/zinc/44/49/17/557444917.db2.gz HHICZTCWGTXKNC-UHFFFAOYSA-N 0 0 438.977 4.015 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1cccc(F)c1 ZINC000014413307 557445173 /nfs/dbraw/zinc/44/51/73/557445173.db2.gz LZPJSIOKYSMXTE-UHFFFAOYSA-N 0 0 430.526 4.382 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 ZINC000223201479 557445414 /nfs/dbraw/zinc/44/54/14/557445414.db2.gz DKLOLWIXOGWANU-IAGOWNOFSA-N 0 0 447.373 4.160 40 0 IIABRN CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223204163 557445818 /nfs/dbraw/zinc/44/58/18/557445818.db2.gz HGZGGWNBWFDJIT-DEOSSOPVSA-N 0 0 442.575 4.353 40 0 IIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000026116809 557447752 /nfs/dbraw/zinc/44/77/52/557447752.db2.gz URBHPKPDYYQFKK-SFHVURJKSA-N 0 0 446.638 4.334 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000223225313 557448276 /nfs/dbraw/zinc/44/82/76/557448276.db2.gz XAQHZBNMSXJIKL-VWLOTQADSA-N 0 0 444.575 4.458 40 0 IIABRN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnc(N)s2)[C@H]1c1ccccc1 ZINC000014608066 557448261 /nfs/dbraw/zinc/44/82/61/557448261.db2.gz RUKCLQHKQWYFKD-SFHVURJKSA-N 0 0 436.566 4.339 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223279451 557455076 /nfs/dbraw/zinc/45/50/76/557455076.db2.gz VJJJZALZVWFIDL-SANMLTNESA-N 0 0 444.575 4.404 40 0 IIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1nccs1 ZINC000223298878 557456845 /nfs/dbraw/zinc/45/68/45/557456845.db2.gz KLWXZVJKPPXWNQ-DBVUQKKJSA-N 0 0 439.610 4.097 40 0 IIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1nccs1 ZINC000223298976 557456847 /nfs/dbraw/zinc/45/68/47/557456847.db2.gz KLWXZVJKPPXWNQ-VDGAXYAQSA-N 0 0 439.610 4.097 40 0 IIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1Cc1ccco1 ZINC000223300956 557456972 /nfs/dbraw/zinc/45/69/72/557456972.db2.gz LSQOKRIYUXLZCX-VJBMBRPKSA-N 0 0 436.581 4.293 40 0 IIABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223317388 557458445 /nfs/dbraw/zinc/45/84/45/557458445.db2.gz LCPYRXQNNPBABF-TUACAJSNSA-N 0 0 447.608 4.090 40 0 IIABRN Cc1cc(C)c(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c(C)c1 ZINC000115936115 557459327 /nfs/dbraw/zinc/45/93/27/557459327.db2.gz VVQNDDWGHLWDTO-UHFFFAOYSA-N 0 0 439.375 4.087 40 0 IIABRN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000015396846 557461573 /nfs/dbraw/zinc/46/15/73/557461573.db2.gz GFKFLMSUXKHRNG-UHFFFAOYSA-N 0 0 430.913 4.183 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cccc4ccccc43)cn2)cc1 ZINC000223382372 557465353 /nfs/dbraw/zinc/46/53/53/557465353.db2.gz RLESHCRQAJDOMA-UHFFFAOYSA-N 0 0 446.532 4.011 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)c2ccccc2F)o1 ZINC000015935412 557466889 /nfs/dbraw/zinc/46/68/89/557466889.db2.gz IYTRVXCYWOGEEO-FQEVSTJZSA-N 0 0 442.516 4.416 40 0 IIABRN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc12 ZINC000015987769 557468629 /nfs/dbraw/zinc/46/86/29/557468629.db2.gz DYIQYJPWTWALCD-UHFFFAOYSA-N 0 0 430.508 4.395 40 0 IIABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223419067 557469943 /nfs/dbraw/zinc/46/99/43/557469943.db2.gz AVOKCTTZIPCBOO-VXKWHMMOSA-N 0 0 428.960 4.361 40 0 IIABRN COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCCCCC2)cc1 ZINC000223427568 557471065 /nfs/dbraw/zinc/47/10/65/557471065.db2.gz TYNZBDIZNCOJBM-UHFFFAOYSA-N 0 0 446.569 4.442 40 0 IIABRN CC(=O)Nc1ccc2nc(NC(=O)c3cccc(I)c3)sc2c1 ZINC000016321446 557472304 /nfs/dbraw/zinc/47/23/04/557472304.db2.gz IOMCFAWQPGVHAW-UHFFFAOYSA-N 0 0 437.262 4.112 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1Cl ZINC000016321472 557472310 /nfs/dbraw/zinc/47/23/10/557472310.db2.gz RDGQEJALSMKDLI-UHFFFAOYSA-N 0 0 434.930 4.044 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1cccnc1 ZINC000223448542 557472968 /nfs/dbraw/zinc/47/29/68/557472968.db2.gz AHUSJIUNSWNSOW-IRXDYDNUSA-N 0 0 431.384 4.473 40 0 IIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223463321 557474863 /nfs/dbraw/zinc/47/48/63/557474863.db2.gz HRJDFWAPPQMDBT-HXUWFJFHSA-N 0 0 436.980 4.308 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C ZINC000223467528 557475404 /nfs/dbraw/zinc/47/54/04/557475404.db2.gz LYLCNXGGGCKSSG-HXUWFJFHSA-N 0 0 426.557 4.024 40 0 IIABRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223471409 557475829 /nfs/dbraw/zinc/47/58/29/557475829.db2.gz CVWLKDVPCBLRTH-ZEQRLZLVSA-N 0 0 441.560 4.449 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1cccnc1 ZINC000223473349 557475999 /nfs/dbraw/zinc/47/59/99/557475999.db2.gz DSQDPSRWJXYUMI-YADHBBJMSA-N 0 0 446.967 4.488 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000223481787 557477549 /nfs/dbraw/zinc/47/75/49/557477549.db2.gz BTUNMNVFKUMTDP-AVRDEDQJSA-N 0 0 432.586 4.042 40 0 IIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccnc1 ZINC000223487979 557478293 /nfs/dbraw/zinc/47/82/93/557478293.db2.gz MZSKQUYUWFBAAC-DNQXCXABSA-N 0 0 440.576 4.452 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000223498841 557479545 /nfs/dbraw/zinc/47/95/45/557479545.db2.gz NXBUUZILQQVGLG-VWLOTQADSA-N 0 0 432.539 4.453 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000223502310 557480017 /nfs/dbraw/zinc/48/00/17/557480017.db2.gz 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COc1cc(NC(=O)COc2ccccc2Cl)ccc1N1C(=O)c2ccccc2C1=O ZINC000017100788 557489288 /nfs/dbraw/zinc/48/92/88/557489288.db2.gz HTMBYSXMIBZDDU-UHFFFAOYSA-N 0 0 436.851 4.167 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c(Cl)c1 ZINC000017101231 557490161 /nfs/dbraw/zinc/49/01/61/557490161.db2.gz VWCDAKBBAVEUHQ-UHFFFAOYSA-N 0 0 437.396 4.180 40 0 IIABRN CCc1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)ccc1OC ZINC000223622453 557493253 /nfs/dbraw/zinc/49/32/53/557493253.db2.gz TXDSVMDJJMTMMT-UHFFFAOYSA-N 0 0 429.542 4.252 40 0 IIABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)ccc1Cl ZINC000223628902 557493735 /nfs/dbraw/zinc/49/37/35/557493735.db2.gz HEDATOSTFUEWCL-LEWJYISDSA-N 0 0 426.973 4.189 40 0 IIABRN CCCSc1nnc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)s1 ZINC000223635110 557494716 /nfs/dbraw/zinc/49/47/16/557494716.db2.gz QFYGNTRSZCOYJG-UHFFFAOYSA-N 0 0 448.595 4.118 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000223649597 557497134 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4.034 40 0 IIABRN CC(C)c1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1 ZINC000223678296 557501038 /nfs/dbraw/zinc/50/10/38/557501038.db2.gz OASWDMIZLWJRCJ-UHFFFAOYSA-N 0 0 446.613 4.069 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 ZINC000223716860 557505485 /nfs/dbraw/zinc/50/54/85/557505485.db2.gz ODENKXFVIUOSGE-GOTSBHOMSA-N 0 0 434.565 4.106 40 0 IIABRN COc1ccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223721837 557506201 /nfs/dbraw/zinc/50/62/01/557506201.db2.gz WCMVHZOYTFSEBE-LJQANCHMSA-N 0 0 440.609 4.405 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000223729891 557506702 /nfs/dbraw/zinc/50/67/02/557506702.db2.gz BLDMEBYQWRVXQF-VXKWHMMOSA-N 0 0 426.586 4.314 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000223741411 557507831 /nfs/dbraw/zinc/50/78/31/557507831.db2.gz GPQLBXUYHUSSHU-YADHBBJMSA-N 0 0 426.586 4.314 40 0 IIABRN CCCn1c2ccc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)cc2sc1=O 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CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000223875220 557524170 /nfs/dbraw/zinc/52/41/70/557524170.db2.gz HASWOOYSLQGHTB-CYBMUJFWSA-N 0 0 427.303 4.065 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000223889994 557525555 /nfs/dbraw/zinc/52/55/55/557525555.db2.gz RMPSVAFWPHKLBC-UHFFFAOYSA-N 0 0 432.611 4.246 40 0 IIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000223889086 557525561 /nfs/dbraw/zinc/52/55/61/557525561.db2.gz IEBBAZBISNZNNE-INIZCTEOSA-N 0 0 449.414 4.485 40 0 IIABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000223890877 557525760 /nfs/dbraw/zinc/52/57/60/557525760.db2.gz JRJAQNKMYDHSCM-ZTCOLXNVSA-N 0 0 447.608 4.305 40 0 IIABRN CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223922330 557529256 /nfs/dbraw/zinc/52/92/56/557529256.db2.gz JANOSNYDEHAPDB-RPWUZVMVSA-N 0 0 447.608 4.478 40 0 IIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1 ZINC000223929547 557530265 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IIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSC3CCCCC3)cc2)cc1 ZINC000223983288 557539195 /nfs/dbraw/zinc/53/91/95/557539195.db2.gz DXGUXWXJYUHCJK-UHFFFAOYSA-N 0 0 448.610 4.292 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCC2)c2cccc(C)c2)cc1 ZINC000223990951 557540599 /nfs/dbraw/zinc/54/05/99/557540599.db2.gz KIRUSHSHEJDJQE-UHFFFAOYSA-N 0 0 446.638 4.291 40 0 IIABRN CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(C)c(C)c1 ZINC000224001740 557542113 /nfs/dbraw/zinc/54/21/13/557542113.db2.gz LDJJXTPSLGPMCX-GOSISDBHSA-N 0 0 444.582 4.145 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1c1ccc2c(c1)OCO2 ZINC000224001470 557542187 /nfs/dbraw/zinc/54/21/87/557542187.db2.gz DGZSYYRGDDORSD-GOTSBHOMSA-N 0 0 441.516 4.173 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3cc(C)ccc3C)c2)cc1 ZINC000224007446 557543157 /nfs/dbraw/zinc/54/31/57/557543157.db2.gz ICGAIOWYWISEGV-UHFFFAOYSA-N 0 0 438.549 4.221 40 0 IIABRN O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224019205 557545675 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ZINC000257246777 568687002 /nfs/dbraw/zinc/68/70/02/568687002.db2.gz IVUQZZMCVGYZRO-BKMJKUGQSA-N 0 0 438.518 4.442 40 0 IIABRN O=C(N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1)C1(c2ccccc2)CCOCC1 ZINC000257250544 568688597 /nfs/dbraw/zinc/68/85/97/568688597.db2.gz JMYQNMBDNKFSCP-NOZRDPDXSA-N 0 0 439.527 4.103 40 0 IIABRN Cc1cc(N2CCO[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)nc(C)n1 ZINC000257251216 568689128 /nfs/dbraw/zinc/68/91/28/568689128.db2.gz JPWUWBULCVUYEB-FQEVSTJZSA-N 0 0 447.461 4.035 40 0 IIABRN CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cccnc2)CC1 ZINC000257252883 568689807 /nfs/dbraw/zinc/68/98/07/568689807.db2.gz JWMXRRVVVJBDFO-UHFFFAOYSA-N 0 0 433.577 4.411 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cccn3ccnc23)CC1 ZINC000257255182 568691050 /nfs/dbraw/zinc/69/10/50/568691050.db2.gz KGMIRLBLNWDAEG-IBGZPJMESA-N 0 0 427.508 4.402 40 0 IIABRN O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cccc(Cc3c(F)cccc3F)n2)C1 ZINC000257256643 568691856 /nfs/dbraw/zinc/69/18/56/568691856.db2.gz KMILLZFFYASJHS-QHCPKHFHSA-N 0 0 426.438 4.232 40 0 IIABRN Cc1cccc(Nc2cncc(C3CCN(C(=O)c4ccc5c(c4)CCCN5C)CC3)n2)n1 ZINC000257257431 568692066 /nfs/dbraw/zinc/69/20/66/568692066.db2.gz KPNXIQBVQWKTOW-UHFFFAOYSA-N 0 0 442.567 4.326 40 0 IIABRN CCn1cc(CN2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 ZINC000257258347 568692302 /nfs/dbraw/zinc/69/23/02/568692302.db2.gz KTKVYFFYBQJHBO-QFIPXVFZSA-N 0 0 430.474 4.481 40 0 IIABRN O=C(c1cncc(-c2cncnc2)c1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000257258838 568692703 /nfs/dbraw/zinc/69/27/03/568692703.db2.gz KVSZHVZGOGAAPP-GOSISDBHSA-N 0 0 438.491 4.141 40 0 IIABRN Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)c2)n1 ZINC000257264797 568695237 /nfs/dbraw/zinc/69/52/37/568695237.db2.gz LWBAJSYJPHXAHS-KRWDZBQOSA-N 0 0 425.558 4.452 40 0 IIABRN Cn1nc([C@H]2CN(C(=O)c3cc4ccccc4o3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257268680 568697039 /nfs/dbraw/zinc/69/70/39/568697039.db2.gz MMSLDNNNPHOHCI-XMMPIXPASA-N 0 0 449.482 4.141 40 0 IIABRN Cc1cc(Nc2cccc([C@@H]3CN(C(=O)C(C)(C)c4ccc(C)cc4)CCO3)n2)nn1C ZINC000257273788 568699393 /nfs/dbraw/zinc/69/93/93/568699393.db2.gz NIEJFNXMCNARKW-NRFANRHFSA-N 0 0 433.556 4.053 40 0 IIABRN CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)CC1 ZINC000257274593 568699597 /nfs/dbraw/zinc/69/95/97/568699597.db2.gz NLTYKGHTDHSJMW-UHFFFAOYSA-N 0 0 448.592 4.196 40 0 IIABRN Cc1oc2c(c1C(=O)N1CCO[C@@H](c3ccc(Nc4ccc(F)cn4)cn3)C1)CCCC2 ZINC000257276547 568700632 /nfs/dbraw/zinc/70/06/32/568700632.db2.gz NUFRGOKUOQICMW-OAQYLSRUSA-N 0 0 436.487 4.353 40 0 IIABRN Cc1cc(C)n(-c2cc(C(=O)Nc3nc4cc(S(C)(=O)=O)ccc4s3)ccc2C)n1 ZINC000257283631 568703832 /nfs/dbraw/zinc/70/38/32/568703832.db2.gz OZCWZKSUIBKJMX-UHFFFAOYSA-N 0 0 440.550 4.063 40 0 IIABRN COc1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1Cl ZINC000257284549 568704222 /nfs/dbraw/zinc/70/42/22/568704222.db2.gz PDCDWTPRPOBDME-VWNXMTODSA-N 0 0 444.959 4.127 40 0 IIABRN O=C(N1CCOC[C@@H](Cc2cccc3occc32)C1)C1(Cc2ccccc2)CCOCC1 ZINC000257286539 568705162 /nfs/dbraw/zinc/70/51/62/568705162.db2.gz PLYYUAZVJSFQOF-QFIPXVFZSA-N 0 0 433.548 4.490 40 0 IIABRN O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCNC(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1 ZINC000257288237 568705891 /nfs/dbraw/zinc/70/58/91/568705891.db2.gz PTLNYDMDJBWREZ-QHCPKHFHSA-N 0 0 444.922 4.067 40 0 IIABRN COCc1cc(CN2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)ccc1OC(C)C ZINC000257287941 568705903 /nfs/dbraw/zinc/70/59/03/568705903.db2.gz PSDKHEDFERQFLP-HSZRJFAPSA-N 0 0 449.555 4.122 40 0 IIABRN COc1ccc2c(c1)C=C(CN1CCO[C@H](c3ccc(Nc4cccc(C)n4)cn3)C1)CO2 ZINC000257293183 568708141 /nfs/dbraw/zinc/70/81/41/568708141.db2.gz QOLKPFHGOPSEPF-VWLOTQADSA-N 0 0 444.535 4.387 40 0 IIABRN Cn1cc(-c2ccc(C(=O)N3CCC(c4cccc(Cc5ccccc5)n4)CC3)cn2)cn1 ZINC000257293642 568708552 /nfs/dbraw/zinc/70/85/52/568708552.db2.gz QQNCDQYWPNWLHP-UHFFFAOYSA-N 0 0 437.547 4.488 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)c1OCc1ccccn1 ZINC000257297433 568710440 /nfs/dbraw/zinc/71/04/40/568710440.db2.gz RHFSRDYQOHLDPS-FQEVSTJZSA-N 0 0 446.551 4.150 40 0 IIABRN Cc1cc(OC[C@]2(CC(N)=O)CCCN(C(=O)c3ccc(F)cc3F)C2)ccc1Cl ZINC000257299058 568710946 /nfs/dbraw/zinc/71/09/46/568710946.db2.gz ROOHPOWENYTQHN-QFIPXVFZSA-N 0 0 436.886 4.103 40 0 IIABRN Cc1nc([C@@H]2CCN(C(=O)CC(C)(C)C)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257301587 568711751 /nfs/dbraw/zinc/71/17/51/568711751.db2.gz RZBILWKKQJSRAB-QGZVFWFLSA-N 0 0 426.536 4.166 40 0 IIABRN O=C(CN1CCCCCC1=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257307232 568714380 /nfs/dbraw/zinc/71/43/80/568714380.db2.gz SXTQJKBDSFJZAQ-HXUWFJFHSA-N 0 0 429.948 4.375 40 0 IIABRN CN(CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccccn1 ZINC000257308337 568714961 /nfs/dbraw/zinc/71/49/61/568714961.db2.gz TWJOTRZARBEKRK-LJQANCHMSA-N 0 0 438.959 4.152 40 0 IIABRN CCc1nnc(Nc2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257311557 568715903 /nfs/dbraw/zinc/71/59/03/568715903.db2.gz UKAIRWXAEDIEEY-HXUWFJFHSA-N 0 0 432.553 4.361 40 0 IIABRN CCn1cc(CN2CCO[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257317354 568718888 /nfs/dbraw/zinc/71/88/88/568718888.db2.gz VJLCRRCCMJUELN-NRFANRHFSA-N 0 0 426.590 4.305 40 0 IIABRN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1n[nH]c2ccccc21 ZINC000257321290 568720461 /nfs/dbraw/zinc/72/04/61/568720461.db2.gz WAZHZPVRYDZXEY-KLWMKENUSA-N 0 0 442.563 4.178 40 0 IIABRN CC(C)CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n(C)n2)C1 ZINC000257322681 568721008 /nfs/dbraw/zinc/72/10/08/568721008.db2.gz WGYNRZILDBAYLY-FQEVSTJZSA-N 0 0 439.478 4.006 40 0 IIABRN O=C(Cc1ccncc1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257336534 568727155 /nfs/dbraw/zinc/72/71/55/568727155.db2.gz YOWFRINXUICKTL-QFIPXVFZSA-N 0 0 441.453 4.229 40 0 IIABRN Cc1cc(Cc2ccccc2)cc([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 ZINC000257342711 568729602 /nfs/dbraw/zinc/72/96/02/568729602.db2.gz ZPVKHXQBOIEYGP-JOCHJYFZSA-N 0 0 434.540 4.020 40 0 IIABRN 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ZINC000306137775 568770226 /nfs/dbraw/zinc/77/02/26/568770226.db2.gz RGALISPCTBZQNJ-UHFFFAOYSA-N 0 0 425.467 4.315 40 0 IIABRN Cc1nc2c(n1CC1CC1)CN(Cc1ccsc1)CC21CCN(c2ncccn2)CC1 ZINC000306143367 568773221 /nfs/dbraw/zinc/77/32/21/568773221.db2.gz YAHBZSVGLXENNZ-UHFFFAOYSA-N 0 0 434.613 4.007 40 0 IIABRN Cc1ccccc1C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 ZINC000000941573 568787729 /nfs/dbraw/zinc/78/77/29/568787729.db2.gz WAHINFYCEKBOOU-UHFFFAOYSA-N 0 0 427.456 4.293 40 0 IIABRN Fc1ccc(OCc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)o2)cc1 ZINC000002796703 568789378 /nfs/dbraw/zinc/78/93/78/568789378.db2.gz IZSDNMMBDKPBKE-UHFFFAOYSA-N 0 0 426.411 4.441 40 0 IIABRN CCC(CC)c1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)s1 ZINC000002888737 568789525 /nfs/dbraw/zinc/78/95/25/568789525.db2.gz ZQKXXGTYEBPQQO-UHFFFAOYSA-N 0 0 444.351 4.482 40 0 IIABRN CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)ccc1O ZINC000103158330 568792780 /nfs/dbraw/zinc/79/27/80/568792780.db2.gz BIQPNMNSQIGZGK-RZPHLTDDSA-N 0 0 425.525 4.308 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000328968075 568807932 /nfs/dbraw/zinc/80/79/32/568807932.db2.gz CXLAQDFPPHNHSG-GFCCVEGCSA-N 0 0 442.791 4.184 40 0 IIABRN FC(F)(F)c1cc(NCc2ccc(Br)cc2)nc(NC2CCCCC2)n1 ZINC000328989640 568808643 /nfs/dbraw/zinc/80/86/43/568808643.db2.gz IKYMWJLEUCALSX-UHFFFAOYSA-N 0 0 429.284 4.458 40 0 IIABRN CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329005250 568809107 /nfs/dbraw/zinc/80/91/07/568809107.db2.gz KXHHWJHXCIWWFE-LJQANCHMSA-N 0 0 433.394 4.354 40 0 IIABRN CC(C)[C@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)n1 ZINC000329049036 568810394 /nfs/dbraw/zinc/81/03/94/568810394.db2.gz UMIPFFZFVRKCTG-SFHVURJKSA-N 0 0 436.478 4.244 40 0 IIABRN O=S(=O)(Nc1ccc(C2N=NC(=S)N2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000013534009 568828342 /nfs/dbraw/zinc/82/83/42/568828342.db2.gz LGABOODVDDURPY-UHFFFAOYSA-N 0 0 426.498 4.163 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)cc1 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0 0 443.547 4.429 40 0 IIABRN O=C(CN1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1)Nc1ccc(F)cc1 ZINC000019744870 569328466 /nfs/dbraw/zinc/32/84/66/569328466.db2.gz DALRAMMINLUVSD-DEOSSOPVSA-N 0 0 437.559 4.305 40 0 IIABRN COc1ccc(CN2CCCC[C@@H]2c2nc(C)ncc2C(=O)NCc2ccccc2)cc1 ZINC000019766961 569329257 /nfs/dbraw/zinc/32/92/57/569329257.db2.gz OPXORTBETDKUDI-XMMPIXPASA-N 0 0 430.552 4.451 40 0 IIABRN Cn1c2oc(NC3CCCCC3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000095116709 569358432 /nfs/dbraw/zinc/35/84/32/569358432.db2.gz JIVPSHSQRKASPH-UHFFFAOYSA-N 0 0 432.318 4.004 40 0 IIABRN COCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000003493629 569452642 /nfs/dbraw/zinc/45/26/42/569452642.db2.gz JAAZJSAJFUOWJJ-UHFFFAOYSA-N 0 0 438.336 4.081 40 0 IIABRN CCOC[C@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218633458 569458914 /nfs/dbraw/zinc/45/89/14/569458914.db2.gz PHUMPHYZEALEHQ-AOIWGVFYSA-N 0 0 444.405 4.242 40 0 IIABRN O=c1/c(=C/c2ccccc2OCCCOc2ccccc2)sc2nc3ccccc3n12 ZINC000009553633 569546754 /nfs/dbraw/zinc/54/67/54/569546754.db2.gz DZZKKRCEXBRITM-QJOMJCCJSA-N 0 0 428.513 4.305 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000328977358 569583307 /nfs/dbraw/zinc/58/33/07/569583307.db2.gz FTLAXDPVNNJIAS-QGZVFWFLSA-N 0 0 435.425 4.869 40 0 IIABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc2ccc(F)cc2s1 ZINC000032125315 569584474 /nfs/dbraw/zinc/58/44/74/569584474.db2.gz JSQRGLLTTHBYFF-UHFFFAOYSA-N 0 0 440.319 4.333 40 0 IIABRN C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)CC(C)C ZINC000067913735 291377346 /nfs/dbraw/zinc/37/73/46/291377346.db2.gz HQKAYCHMYMSSEQ-WLISBCLRSA-N 0 0 428.481 4.472 40 0 endogenous,in-man IIABRN O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)C2CCCCC2)C1 ZINC000004236430 291385794 /nfs/dbraw/zinc/38/57/94/291385794.db2.gz QMUSRPXCRYBPBM-PKOBYXMFSA-N 0 0 434.540 4.018 40 0 biogenic,in-vitro IIABRN CCOc1ccc(NC(=S)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000006089919 193878871 /nfs/dbraw/zinc/87/88/71/193878871.db2.gz AJRTYOXVDUCNMF-UHFFFAOYSA-N 0 0 439.581 4.125 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)cc1 ZINC000009856046 193908810 /nfs/dbraw/zinc/90/88/10/193908810.db2.gz KTIYDYIFBZVOOV-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN O=C(C[C@H]1CC2(CCN(C(=O)NC3CCCCC3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096243176 193942348 /nfs/dbraw/zinc/94/23/48/193942348.db2.gz DVYXROOWBCTZHC-IBGZPJMESA-N 0 0 439.600 4.488 40 0 IIABRN Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c2cc1C ZINC000006194901 132276705 /nfs/dbraw/zinc/27/67/05/132276705.db2.gz FFYMZAZEZDQNBI-HSZRJFAPSA-N 0 0 442.567 4.429 40 0 IIABRN CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccccc1N1CCOCC1 ZINC000013503572 132347279 /nfs/dbraw/zinc/34/72/79/132347279.db2.gz PFSLAMZSWKWTLZ-UHFFFAOYSA-N 0 0 437.565 4.373 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000013504131 132347771 /nfs/dbraw/zinc/34/77/71/132347771.db2.gz CTCKRPGWUWZAJX-DEOSSOPVSA-N 0 0 448.615 4.355 40 0 IIABRN C[C@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013570457 132350765 /nfs/dbraw/zinc/35/07/65/132350765.db2.gz BKGOMQHRXWUCLL-FBBABVLZSA-N 0 0 434.540 4.110 40 0 IIABRN COc1ccccc1N1CCN(c2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)CC1 ZINC000013611384 132351840 /nfs/dbraw/zinc/35/18/40/132351840.db2.gz RFLBZSNEQZDEKB-UHFFFAOYSA-N 0 0 442.972 4.051 40 0 IIABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)c3cccnc3)CC1)N2 ZINC000019084181 519007545 /nfs/dbraw/zinc/00/75/45/519007545.db2.gz XMGDYIFLPOMOJJ-FUHWJXTLSA-N 0 0 435.494 4.416 40 0 IIABRN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccccc1 ZINC000022525604 519237777 /nfs/dbraw/zinc/23/77/77/519237777.db2.gz UIEKDFSFVOCEIP-HSZRJFAPSA-N 0 0 446.588 4.271 40 0 IIABRN CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)n2)c1 ZINC000072349061 519735224 /nfs/dbraw/zinc/73/52/24/519735224.db2.gz WSFFRTUTDSCBIO-OAQYLSRUSA-N 0 0 429.520 4.492 40 0 IIABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(I)cc1 ZINC000035535524 519803355 /nfs/dbraw/zinc/80/33/55/519803355.db2.gz ZJDHXMIUYBZZJY-RRQGHBQHSA-N 0 0 444.309 4.452 40 0 IIABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1I ZINC000035550881 519803385 /nfs/dbraw/zinc/80/33/85/519803385.db2.gz UVVDKPVTUHAIBW-GRDNDAEWSA-N 0 0 444.309 4.452 40 0 IIABRN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)cc2n1 ZINC000012220361 519832785 /nfs/dbraw/zinc/83/27/85/519832785.db2.gz NTYFVLAHDZIDCW-HNNXBMFYSA-N 0 0 431.462 4.215 40 0 IIABRN CC(C)c1ccc(CCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020456830 519835642 /nfs/dbraw/zinc/83/56/42/519835642.db2.gz MVUHTENAHNOTFM-UHFFFAOYSA-N 0 0 428.598 4.098 40 0 IIABRN CC(C)c1nc2ncccc2c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000012220503 519872575 /nfs/dbraw/zinc/87/25/75/519872575.db2.gz DNXGQHVTPHKKGE-UHFFFAOYSA-N 0 0 430.961 4.370 40 0 IIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2c(OC)cccc2OC)c1 ZINC000017099816 519878274 /nfs/dbraw/zinc/87/82/74/519878274.db2.gz ZSEOYNUOMUCPKZ-UHFFFAOYSA-N 0 0 435.933 4.223 40 0 IIABRN CCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(C)c3)ccc2s1 ZINC000020447942 519898016 /nfs/dbraw/zinc/89/80/16/519898016.db2.gz KKJHOLVIJKGHTE-UHFFFAOYSA-N 0 0 432.567 4.183 40 0 IIABRN CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466840 520521730 /nfs/dbraw/zinc/52/17/30/520521730.db2.gz WTUINAJLGQLDHV-RAMVYFITSA-N 0 0 442.644 4.042 40 0 biogenic,in-vitro IIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000022248970 520783279 /nfs/dbraw/zinc/78/32/79/520783279.db2.gz WDLPGLARLUVSRK-UHFFFAOYSA-N 0 0 438.977 4.313 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000020802627 521091790 /nfs/dbraw/zinc/09/17/90/521091790.db2.gz KGIWWJBKNOGUMJ-VXKWHMMOSA-N 0 0 435.524 4.206 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000020487426 521222641 /nfs/dbraw/zinc/22/26/41/521222641.db2.gz QAJVOZYCWLLCJY-LJQANCHMSA-N 0 0 444.597 4.449 40 0 IIABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000035223584 521278458 /nfs/dbraw/zinc/27/84/58/521278458.db2.gz KGWSTGBGNQJBSY-UHFFFAOYSA-N 0 0 430.570 4.221 40 0 IIABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000020481233 522367470 /nfs/dbraw/zinc/36/74/70/522367470.db2.gz HXKIWHVDPICGKK-NRFANRHFSA-N 0 0 434.989 4.149 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022427514 522384222 /nfs/dbraw/zinc/38/42/22/522384222.db2.gz IYAVOXBONSGNQQ-QFIPXVFZSA-N 0 0 432.586 4.124 40 0 IIABRN COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1NC(=O)CN1CCCCC1 ZINC000012712267 522726522 /nfs/dbraw/zinc/72/65/22/522726522.db2.gz WXZZBILTBANMRN-UHFFFAOYSA-N 0 0 431.920 4.034 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020487746 522759027 /nfs/dbraw/zinc/75/90/27/522759027.db2.gz LWJHXIPATJFDQJ-FGZHOGPDSA-N 0 0 432.586 4.124 40 0 IIABRN COCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1 ZINC000012327043 522788964 /nfs/dbraw/zinc/78/89/64/522788964.db2.gz OAVGTULQAJSJNZ-UHFFFAOYSA-N 0 0 425.485 4.127 40 0 IIABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)cc1 ZINC000021837563 522794767 /nfs/dbraw/zinc/79/47/67/522794767.db2.gz NYKKTVVPIKPDOJ-JOCHJYFZSA-N 0 0 430.570 4.141 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3ccc(C)cc3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035313462 523041279 /nfs/dbraw/zinc/04/12/79/523041279.db2.gz DBMHQDIOMUONCK-DEOSSOPVSA-N 0 0 432.520 4.128 40 0 IIABRN COc1ccc(-c2csc3nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n23)cc1 ZINC000012878744 523173766 /nfs/dbraw/zinc/17/37/66/523173766.db2.gz GAVFEHHYKOSKCI-UHFFFAOYSA-N 0 0 438.534 4.400 40 0 IIABRN COc1ccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)N[C@@H](C)c4ccccc4)cc23)cc1 ZINC000021867710 523271062 /nfs/dbraw/zinc/27/10/62/523271062.db2.gz CFPVDFMLUQLYAK-HNNXBMFYSA-N 0 0 439.475 4.150 40 0 IIABRN CCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC000022235000 523331767 /nfs/dbraw/zinc/33/17/67/523331767.db2.gz DBINNWXAJZRPBU-RMKNXTFCSA-N 0 0 435.955 4.146 40 0 IIABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cncc(Br)c4)cc3n2)cc1 ZINC000020611274 523349112 /nfs/dbraw/zinc/34/91/12/523349112.db2.gz RBYUXARUDKXVNU-UHFFFAOYSA-N 0 0 438.285 4.147 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@H](C)n3nc(C)cc3C)cc2n1 ZINC000012230618 523780023 /nfs/dbraw/zinc/78/00/23/523780023.db2.gz RZKGCUVNRBZJBD-MAUKXSAKSA-N 0 0 448.493 4.439 40 0 IIABRN COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5ccccc5c4)no3)N(C)C2)cc1 ZINC000012529887 523907648 /nfs/dbraw/zinc/90/76/48/523907648.db2.gz LLUSLMXBPJUYES-GMAHTHKFSA-N 0 0 442.519 4.003 40 0 biogenic,in-vitro IIABRN CN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C1CCCCC1 ZINC000020493311 523908094 /nfs/dbraw/zinc/90/80/94/523908094.db2.gz BPCYGWNDNJKRHY-HNNXBMFYSA-N 0 0 447.428 4.326 40 0 IIABRN CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)CC)c2ccccn2)cc1 ZINC000012869593 523956583 /nfs/dbraw/zinc/95/65/83/523956583.db2.gz ZDXLPZMSACUJEL-HXUWFJFHSA-N 0 0 437.569 4.188 40 0 IIABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2ccc(C)cc2)cc1OC ZINC000020457527 523971390 /nfs/dbraw/zinc/97/13/90/523971390.db2.gz OYQIIGCJMURXEV-UHFFFAOYSA-N 0 0 432.520 4.166 40 0 IIABRN CCc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)c1cccc(OC)c1)c1nnnn12 ZINC000035312836 524059688 /nfs/dbraw/zinc/05/96/88/524059688.db2.gz FPBVIQDSKDBYBR-UHFFFAOYSA-N 0 0 441.491 4.284 40 0 IIABRN Cc1ccc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](C)CO)n2)c1 ZINC000328990987 524129203 /nfs/dbraw/zinc/12/92/03/524129203.db2.gz IRMGBOGMHUWYPI-HNNXBMFYSA-N 0 0 432.446 4.039 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 ZINC000022341610 524208639 /nfs/dbraw/zinc/20/86/39/524208639.db2.gz FYCOTJDCPYFNTN-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1ccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3ccccn3)cc2)cc1 ZINC000012223131 524265395 /nfs/dbraw/zinc/26/53/95/524265395.db2.gz POWLWCGQAOMJSY-UHFFFAOYSA-N 0 0 437.547 4.439 40 0 IIABRN Cc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231047 524279594 /nfs/dbraw/zinc/27/95/94/524279594.db2.gz YSBRIWVIHYNHIB-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN Cc1ccc(CN(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000012872394 524360468 /nfs/dbraw/zinc/36/04/68/524360468.db2.gz DFUVFQGPKBVEHT-QFIPXVFZSA-N 0 0 449.580 4.074 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431662 524365196 /nfs/dbraw/zinc/36/51/96/524365196.db2.gz ODVIAJZSSHLGBA-UHFFFAOYSA-N 0 0 440.540 4.296 40 0 IIABRN Cc1cc(C)cc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000020461172 524406557 /nfs/dbraw/zinc/40/65/57/524406557.db2.gz YZWWPUFWCKWLCD-RUZDIDTESA-N 0 0 436.577 4.284 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2F)c1 ZINC000012868384 524509087 /nfs/dbraw/zinc/50/90/87/524509087.db2.gz WHADWMYXJYLLBV-IBGZPJMESA-N 0 0 426.517 4.288 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1C ZINC000035311030 524877505 /nfs/dbraw/zinc/87/75/05/524877505.db2.gz WZANUXNJDXEEDT-QFIPXVFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000012636864 524878940 /nfs/dbraw/zinc/87/89/40/524878940.db2.gz IUXCWMHKKLHQDJ-NRFANRHFSA-N 0 0 438.528 4.433 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000015398260 524894178 /nfs/dbraw/zinc/89/41/78/524894178.db2.gz SFLXOBZYIFBTJJ-GOSISDBHSA-N 0 0 426.513 4.207 40 0 IIABRN C[C@@H](Cc1cccs1)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 ZINC000012220817 524930678 /nfs/dbraw/zinc/93/06/78/524930678.db2.gz RYMSTHUMAHIZNT-GJZGRUSLSA-N 0 0 425.529 4.119 40 0 IIABRN C[C@H]1Cc2ccccc2N1C(=O)Cn1c2ccccc2nc1SCC(=O)NC(C)(C)C ZINC000012882317 524989734 /nfs/dbraw/zinc/98/97/34/524989734.db2.gz JLRKQBIVACZOQU-INIZCTEOSA-N 0 0 436.581 4.021 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccccc2F)cc1 ZINC000022383263 525013858 /nfs/dbraw/zinc/01/38/58/525013858.db2.gz 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444.557 4.494 40 0 IIABRN Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3OCCc4ccccc43)[C@@H]2C1 ZINC000012755771 525977929 /nfs/dbraw/zinc/97/79/29/525977929.db2.gz JWZAFMRSUWZQLR-UWUFEASWSA-N 0 0 444.531 4.118 40 0 IIABRN Cc1cc(-c2cnn(CCNC(=O)[C@H](C)Cc3cccs3)c2-c2ccc(C)nc2)on1 ZINC000012223154 526047415 /nfs/dbraw/zinc/04/74/15/526047415.db2.gz LXWLEWJCTQBFQV-OAHLLOKOSA-N 0 0 435.553 4.273 40 0 IIABRN O=C(CCc1ccc2c(c1)OCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000024613554 526598271 /nfs/dbraw/zinc/59/82/71/526598271.db2.gz CZTPYUHXMUILFD-UHFFFAOYSA-N 0 0 428.532 4.282 40 0 IIABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCc1ccccc1Cl ZINC000022391629 526705009 /nfs/dbraw/zinc/70/50/09/526705009.db2.gz LRCUCWBJEXCNTI-UHFFFAOYSA-N 0 0 438.933 4.052 40 0 IIABRN O=C(NCc1ccccc1Cl)c1ccc2c(=O)[nH]c3c(-c4cccc(F)c4)nnn3c2c1 ZINC000021867427 526748636 /nfs/dbraw/zinc/74/86/36/526748636.db2.gz VTCUSISDWDQOQD-UHFFFAOYSA-N 0 0 447.857 4.373 40 0 IIABRN Cc1sc(NC(=O)CN(CCc2ccccc2)C(=O)c2cccc(C)c2)c(C(N)=O)c1C 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40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SC)CC2)cc1C ZINC000408561101 555902921 /nfs/dbraw/zinc/90/29/21/555902921.db2.gz QPXKWSVDMMOVSW-UHFFFAOYSA-N 0 0 448.610 4.155 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC)C2)cc1C ZINC000408561429 555903546 /nfs/dbraw/zinc/90/35/46/555903546.db2.gz SISLZAOTTQMREV-QGZVFWFLSA-N 0 0 448.610 4.155 40 0 IIABRN O=C(Nc1ccccc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408561810 555904465 /nfs/dbraw/zinc/90/44/65/555904465.db2.gz VMOYLEKYRQMLFL-FQEVSTJZSA-N 0 0 432.904 4.007 40 0 IIABRN S=C(NCCN1CCOCC1)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000408573234 555923030 /nfs/dbraw/zinc/92/30/30/555923030.db2.gz JHFYVWTXHSRRSY-UHFFFAOYSA-N 0 0 425.381 4.170 40 0 IIABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CC(=O)Nc2ccccc21 ZINC000408575674 555926497 /nfs/dbraw/zinc/92/64/97/555926497.db2.gz PEGHAJDUEFBXJH-VWLOTQADSA-N 0 0 443.528 4.060 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1Cl ZINC000408584395 555936886 /nfs/dbraw/zinc/93/68/86/555936886.db2.gz PHIMOWDORJLIEL-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000408593238 555954842 /nfs/dbraw/zinc/95/48/42/555954842.db2.gz PTQSUTQSXBMEAS-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccccc1O ZINC000408600212 555958691 /nfs/dbraw/zinc/95/86/91/555958691.db2.gz XCCXVDBROXFGOM-UHFFFAOYSA-N 0 0 439.324 4.137 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408600419 555958902 /nfs/dbraw/zinc/95/89/02/555958902.db2.gz AWNYNKUPHRINFE-UHFFFAOYSA-N 0 0 436.961 4.231 40 0 IIABRN C[C@@H](Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)NC1CCCCC1 ZINC000408593339 555958981 /nfs/dbraw/zinc/95/89/81/555958981.db2.gz PYVMZOHXAOJTTF-GOSISDBHSA-N 0 0 442.581 4.044 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408594774 555961095 /nfs/dbraw/zinc/96/10/95/555961095.db2.gz PFBUKYUFMIYXBX-OAQYLSRUSA-N 0 0 428.941 4.177 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408595450 555961685 /nfs/dbraw/zinc/96/16/85/555961685.db2.gz QHGVTLJWTDDHKL-NRFANRHFSA-N 0 0 428.941 4.177 40 0 IIABRN COc1cccc(NC(=O)CSc2nnc(COc3cccc4ccccc43)n2C)c1 ZINC000408597361 555965102 /nfs/dbraw/zinc/96/51/02/555965102.db2.gz YOCAUGKGJBBXOW-UHFFFAOYSA-N 0 0 434.521 4.287 40 0 IIABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1 ZINC000408600689 555968554 /nfs/dbraw/zinc/96/85/54/555968554.db2.gz CAXYYBLUNWAOKY-UHFFFAOYSA-N 0 0 446.912 4.167 40 0 IIABRN CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000408600971 555969586 /nfs/dbraw/zinc/96/95/86/555969586.db2.gz HXXRJYOUZMKHER-KGENOOAVSA-N 0 0 436.533 4.097 40 0 IIABRN CCc1cccc(C)c1NC(=O)c1cc(I)c(OC)c(OC)c1 ZINC000408617682 555981506 /nfs/dbraw/zinc/98/15/06/555981506.db2.gz DFZPXXDGHKKETK-UHFFFAOYSA-N 0 0 425.266 4.432 40 0 IIABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1Br ZINC000408618135 555981887 /nfs/dbraw/zinc/98/18/87/555981887.db2.gz CFLFCTZFBNQQFI-UHFFFAOYSA-N 0 0 434.315 4.450 40 0 IIABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000408616098 555987041 /nfs/dbraw/zinc/98/70/41/555987041.db2.gz VUDMLWGSFCSEBQ-NRFANRHFSA-N 0 0 441.531 4.225 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2ccccc2)cc1 ZINC000408625863 555996459 /nfs/dbraw/zinc/99/64/59/555996459.db2.gz XIMOGDPRXLHFFD-UHFFFAOYSA-N 0 0 444.597 4.115 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccccc1)C1CCCCC1 ZINC000408626522 555997264 /nfs/dbraw/zinc/99/72/64/555997264.db2.gz ZGWSRDOFGZLDIN-LJQANCHMSA-N 0 0 444.597 4.204 40 0 IIABRN CC(C)Oc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408630184 556001152 /nfs/dbraw/zinc/00/11/52/556001152.db2.gz OYTQKBUNAZGVQE-UHFFFAOYSA-N 0 0 442.512 4.447 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000408635737 556014011 /nfs/dbraw/zinc/01/40/11/556014011.db2.gz IAKYMEJCJCGMOL-UHFFFAOYSA-N 0 0 434.533 4.105 40 0 IIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1Cl ZINC000408638754 556015770 /nfs/dbraw/zinc/01/57/70/556015770.db2.gz DHFJDFRBLXLNDG-KRWDZBQOSA-N 0 0 428.916 4.453 40 0 IIABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000408637383 556020594 /nfs/dbraw/zinc/02/05/94/556020594.db2.gz JOJACKXCXSGHBH-UHFFFAOYSA-N 0 0 440.569 4.254 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000408646475 556022320 /nfs/dbraw/zinc/02/23/20/556022320.db2.gz OSCQEWZSHMFJJE-GFCCVEGCSA-N 0 0 440.279 4.119 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000408650513 556026804 /nfs/dbraw/zinc/02/68/04/556026804.db2.gz BDSBNDFZLWYEGJ-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408651734 556027716 /nfs/dbraw/zinc/02/77/16/556027716.db2.gz DRRHXIGMTIRZOM-DZGCQCFKSA-N 0 0 435.307 4.085 40 0 IIABRN CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc32)cc1 ZINC000408648710 556029552 /nfs/dbraw/zinc/02/95/52/556029552.db2.gz YORBOJOWBQHMCZ-UHFFFAOYSA-N 0 0 432.476 4.333 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1Cl ZINC000408652384 556030002 /nfs/dbraw/zinc/03/00/02/556030002.db2.gz CLGWMJVKUBZXJS-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN O=C(Oc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408653903 556034934 /nfs/dbraw/zinc/03/49/34/556034934.db2.gz FOOYBCYRJQSZOE-NSHDSACASA-N 0 0 439.103 4.170 40 0 IIABRN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 ZINC000408661280 556041791 /nfs/dbraw/zinc/04/17/91/556041791.db2.gz MIAXTTPPJQIGRC-IWMITWMQSA-N 0 0 448.519 4.025 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1C ZINC000408661414 556042137 /nfs/dbraw/zinc/04/21/37/556042137.db2.gz VTIKZJXGZQNIQK-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc(Cl)c1 ZINC000408661679 556042374 /nfs/dbraw/zinc/04/23/74/556042374.db2.gz GSYCEFJISLOVFV-UHFFFAOYSA-N 0 0 428.794 4.259 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408662717 556045145 /nfs/dbraw/zinc/04/51/45/556045145.db2.gz XNZJSJVCGSOOBR-GFCCVEGCSA-N 0 0 446.853 4.022 40 0 IIABRN Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000408663113 556045673 /nfs/dbraw/zinc/04/56/73/556045673.db2.gz LEXZEAHVFBZRSM-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)cc2)c1 ZINC000408665400 556049185 /nfs/dbraw/zinc/04/91/85/556049185.db2.gz LRLSIJUJZLTIGR-UHFFFAOYSA-N 0 0 447.329 4.357 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c(C)c1 ZINC000408664715 556052616 /nfs/dbraw/zinc/05/26/16/556052616.db2.gz DHFUQUPVNIOSOY-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 ZINC000408664958 556053036 /nfs/dbraw/zinc/05/30/36/556053036.db2.gz QBPNTITXMGYNER-IPHXSNPTSA-N 0 0 448.519 4.025 40 0 IIABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc3ccccc32)CC1=O ZINC000408668863 556054668 /nfs/dbraw/zinc/05/46/68/556054668.db2.gz VTAFXFPPMCGCKR-KRWDZBQOSA-N 0 0 436.895 4.336 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000408670965 556060569 /nfs/dbraw/zinc/06/05/69/556060569.db2.gz XVTPQESGDHJYQN-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN COc1ccc(CCNC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)cc1OC ZINC000408674833 556066086 /nfs/dbraw/zinc/06/60/86/556066086.db2.gz CXIBHRMZRZPABS-UHFFFAOYSA-N 0 0 446.478 4.304 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408675933 556068907 /nfs/dbraw/zinc/06/89/07/556068907.db2.gz MCEVPWMYJWQCRZ-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN CCCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)c2)cc1 ZINC000408676540 556069244 /nfs/dbraw/zinc/06/92/44/556069244.db2.gz DHCUEBSAUNHOEH-FCHUYYIVSA-N 0 0 446.503 4.351 40 0 IIABRN COc1ccc(-n2nnnc2/C(Cl)=C2/N(c3ccc(OC)cc3)N=NN2C(C)C)cc1 ZINC000005941593 556070111 /nfs/dbraw/zinc/07/01/11/556070111.db2.gz BSPCLSGSSQFXPW-ZZEZOPTASA-N 0 0 440.895 4.057 40 0 IIABRN COc1ccc(CCNC(=O)C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn32)cc1 ZINC000408677846 556072026 /nfs/dbraw/zinc/07/20/26/556072026.db2.gz RXHBNABJGBMDBI-UHFFFAOYSA-N 0 0 428.488 4.165 40 0 IIABRN COC(=O)c1cccc(C(O)(c2ccccc2)c2ccccc2)c1S(=O)(=O)C(C)(C)C ZINC000006075236 556074495 /nfs/dbraw/zinc/07/44/95/556074495.db2.gz IUIHUZWBQBXGCI-UHFFFAOYSA-N 0 0 438.545 4.330 40 0 IIABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408679967 556074502 /nfs/dbraw/zinc/07/45/02/556074502.db2.gz XHEXAZCSQIVBDG-GOSISDBHSA-N 0 0 444.597 4.057 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 ZINC000408687141 556088164 /nfs/dbraw/zinc/08/81/64/556088164.db2.gz SXMGBLKSPJIESD-UGKGYDQZSA-N 0 0 444.535 4.037 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000408693407 556098785 /nfs/dbraw/zinc/09/87/85/556098785.db2.gz SHZHELMHDWIILW-IBGZPJMESA-N 0 0 444.597 4.011 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000408700063 556103161 /nfs/dbraw/zinc/10/31/61/556103161.db2.gz ANCIGVIREDWSCX-FQEVSTJZSA-N 0 0 444.597 4.475 40 0 IIABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000408702465 556106130 /nfs/dbraw/zinc/10/61/30/556106130.db2.gz GJUUXFZCJBGSDG-UHFFFAOYSA-N 0 0 444.597 4.493 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000408702602 556106591 /nfs/dbraw/zinc/10/65/91/556106591.db2.gz MUCMEOWIBUHRDL-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(=O)N1CCC(C)CC1 ZINC000408706159 556112522 /nfs/dbraw/zinc/11/25/22/556112522.db2.gz WLCYPTANBWUBHK-UHFFFAOYSA-N 0 0 434.583 4.090 40 0 IIABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408706235 556112597 /nfs/dbraw/zinc/11/25/97/556112597.db2.gz YHFWYCQVTFOKGH-JOCHJYFZSA-N 0 0 446.569 4.056 40 0 IIABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000408709510 556115772 /nfs/dbraw/zinc/11/57/72/556115772.db2.gz CBFSKLYMRSSERO-LJQANCHMSA-N 0 0 443.547 4.037 40 0 IIABRN COc1cc(C=O)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000009235978 556263496 /nfs/dbraw/zinc/26/34/96/556263496.db2.gz KYJPDZZYERZGRP-UHFFFAOYSA-N 0 0 432.192 4.307 40 0 IIABRN CNc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000010157674 556327245 /nfs/dbraw/zinc/32/72/45/556327245.db2.gz JZGDLZZOFYGBTE-SFHVURJKSA-N 0 0 447.970 4.411 40 0 IIABRN CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1 ZINC000010325710 556331213 /nfs/dbraw/zinc/33/12/13/556331213.db2.gz LFYXDFIVHFGLIY-QGZVFWFLSA-N 0 0 436.533 4.478 40 0 IIABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000010326106 556331226 /nfs/dbraw/zinc/33/12/26/556331226.db2.gz NGWDWMXDNFZGLT-HNNXBMFYSA-N 0 0 431.275 4.093 40 0 IIABRN Cc1ccc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010326448 556331459 /nfs/dbraw/zinc/33/14/59/556331459.db2.gz AFVARAWRBLPGAH-IBGZPJMESA-N 0 0 434.561 4.373 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1Br ZINC000027837802 556434175 /nfs/dbraw/zinc/43/41/75/556434175.db2.gz HSCPQQTYHDSSIO-UHFFFAOYSA-N 0 0 425.710 4.200 40 0 IIABRN CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000039750687 556438451 /nfs/dbraw/zinc/43/84/51/556438451.db2.gz HGDZFMAPJOMDQE-UHFFFAOYSA-N 0 0 441.447 4.200 40 0 IIABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccccc3O)s2)cc1 ZINC000039753795 556438954 /nfs/dbraw/zinc/43/89/54/556438954.db2.gz NDTQPUKLBNHMOU-UHFFFAOYSA-N 0 0 446.488 4.424 40 0 IIABRN O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000029026796 556465996 /nfs/dbraw/zinc/46/59/96/556465996.db2.gz IIPISXXJDKOGMP-INIZCTEOSA-N 0 0 434.583 4.109 40 0 IIABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCSc1ccc(Cl)cc1 ZINC000030063960 556490683 /nfs/dbraw/zinc/49/06/83/556490683.db2.gz STTLWXGKAAQMIW-UHFFFAOYSA-N 0 0 439.002 4.052 40 0 IIABRN O=C(NCCSCc1c(Cl)cccc1Cl)c1cccc(CN2CCOCC2)c1 ZINC000030754137 556503735 /nfs/dbraw/zinc/50/37/35/556503735.db2.gz JYGMHFREEPYBJQ-UHFFFAOYSA-N 0 0 439.408 4.489 40 0 IIABRN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 ZINC000030758087 556505109 /nfs/dbraw/zinc/50/51/09/556505109.db2.gz NWAZXTGMAVXBIS-JPYJTQIMSA-N 0 0 440.540 4.194 40 0 IIABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000030757898 556505123 /nfs/dbraw/zinc/50/51/23/556505123.db2.gz MXSCAICOCUBBCY-QHCPKHFHSA-N 0 0 438.549 4.401 40 0 IIABRN CCOC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)c(C)c1-c1ccc(OC)c(OC)c1 ZINC000036611259 556507217 /nfs/dbraw/zinc/50/72/17/556507217.db2.gz QFKPPHIRUDWBEM-UHFFFAOYSA-N 0 0 440.496 4.123 40 0 IIABRN CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OCC ZINC000030861439 556511040 /nfs/dbraw/zinc/51/10/40/556511040.db2.gz RQMWNGLPVSUJJN-UHFFFAOYSA-N 0 0 448.585 4.086 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000030863876 556511654 /nfs/dbraw/zinc/51/16/54/556511654.db2.gz YBGBUGOLSFAZTH-XMMPIXPASA-N 0 0 434.561 4.460 40 0 IIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000030868636 556513228 /nfs/dbraw/zinc/51/32/28/556513228.db2.gz QRHJZVFCSICTHT-NRFANRHFSA-N 0 0 432.973 4.284 40 0 IIABRN CCOC(=O)N1N=C(c2ccccc2)O[C@@]2(N3CCOCC3)CC[C@@H](C(C)(C)C)C[C@@H]12 ZINC000031771759 556526079 /nfs/dbraw/zinc/52/60/79/556526079.db2.gz ARQALGHSZRRMIE-REHUZNOOSA-N 0 0 429.561 4.080 40 0 IIABRN CCN(CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C)OCO3 ZINC000031861169 556527530 /nfs/dbraw/zinc/52/75/30/556527530.db2.gz FEMIEKUWTKIHRN-BEYHJKFUSA-N 0 0 429.513 4.269 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1OC ZINC000015438788 556527940 /nfs/dbraw/zinc/52/79/40/556527940.db2.gz OLWXVMOUQIHMRV-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)cc1C ZINC000015529168 556533561 /nfs/dbraw/zinc/53/35/61/556533561.db2.gz BYDKXMUBELPRAR-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000032125184 556534253 /nfs/dbraw/zinc/53/42/53/556534253.db2.gz NDAAFSFECJSERN-UHFFFAOYSA-N 0 0 437.584 4.306 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000013613009 556535075 /nfs/dbraw/zinc/53/50/75/556535075.db2.gz KROCZCVKWYGHFB-LLVKDONJSA-N 0 0 447.771 4.391 40 0 IIABRN Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013632047 556539545 /nfs/dbraw/zinc/53/95/45/556539545.db2.gz QKZVIDMPXUPVHF-UHFFFAOYSA-N 0 0 440.952 4.433 40 0 IIABRN COc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013646899 556543873 /nfs/dbraw/zinc/54/38/73/556543873.db2.gz BBSORYGTBSTIFB-UHFFFAOYSA-N 0 0 444.940 4.207 40 0 IIABRN CCOc1ccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000013647991 556544731 /nfs/dbraw/zinc/54/47/31/556544731.db2.gz HZFVYQDUWCROGL-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN CCOc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000013648637 556545069 /nfs/dbraw/zinc/54/50/69/556545069.db2.gz LIDHOHGVQYVKLS-UHFFFAOYSA-N 0 0 438.549 4.249 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccccc3F)[C@H]2C1 ZINC000032640530 556545131 /nfs/dbraw/zinc/54/51/31/556545131.db2.gz UEEKUNZSURFLMR-RDJZCZTQSA-N 0 0 445.368 4.408 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)c(Cl)c1)N2c1ccccc1F ZINC000032640816 556545459 /nfs/dbraw/zinc/54/54/59/556545459.db2.gz DXCSFFLYBDPVFP-WBVHZDCISA-N 0 0 445.368 4.408 40 0 IIABRN Cc1cccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013649786 556545673 /nfs/dbraw/zinc/54/56/73/556545673.db2.gz AJVGVRKTDMXOMI-UHFFFAOYSA-N 0 0 428.941 4.160 40 0 IIABRN C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013667513 556548644 /nfs/dbraw/zinc/54/86/44/556548644.db2.gz XVPONCICSRCCAV-STQMWFEESA-N 0 0 427.353 4.126 40 0 IIABRN COC(=O)c1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000013670719 556551556 /nfs/dbraw/zinc/55/15/56/556551556.db2.gz VSTYFDDFRGNKNL-XMMPIXPASA-N 0 0 446.528 4.500 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015967149 556569717 /nfs/dbraw/zinc/56/97/17/556569717.db2.gz NBBGGPSRBBCSOX-HNNXBMFYSA-N 0 0 436.961 4.014 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000016162346 556586562 /nfs/dbraw/zinc/58/65/62/556586562.db2.gz ZBTGPHJOYNQGNH-UHFFFAOYSA-N 0 0 430.570 4.050 40 0 IIABRN Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(I)cc1 ZINC000016250024 556594682 /nfs/dbraw/zinc/59/46/82/556594682.db2.gz JFTJZWFJVOVFRH-UHFFFAOYSA-N 0 0 430.698 4.380 40 0 IIABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100841088 556596949 /nfs/dbraw/zinc/59/69/49/556596949.db2.gz YZCWRZXLAXRNDP-SGNDLWITSA-N 0 0 444.487 4.063 40 0 IIABRN Cc1ccc(OCc2nc3ccccc3c(=O)n2NC(=O)c2cccnc2)c(C(C)C)c1 ZINC000016284691 556597475 /nfs/dbraw/zinc/59/74/75/556597475.db2.gz KQORUSVCBIAVRA-UHFFFAOYSA-N 0 0 428.492 4.186 40 0 IIABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000038755187 556617589 /nfs/dbraw/zinc/61/75/89/556617589.db2.gz SBNYQHBEPOKEEH-INIZCTEOSA-N 0 0 436.961 4.311 40 0 IIABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C)cc1 ZINC000038756712 556618353 /nfs/dbraw/zinc/61/83/53/556618353.db2.gz KTICDBUURDPDHU-ZEQRLZLVSA-N 0 0 442.625 4.237 40 0 IIABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C)cc1 ZINC000038756714 556618362 /nfs/dbraw/zinc/61/83/62/556618362.db2.gz KTICDBUURDPDHU-BJKOFHAPSA-N 0 0 442.625 4.237 40 0 IIABRN CCc1cccc(CC)c1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038856269 556625662 /nfs/dbraw/zinc/62/56/62/556625662.db2.gz KSNABVVCSPNJEQ-NRFANRHFSA-N 0 0 444.597 4.275 40 0 IIABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H]([C@@]1(O)c3ccccc3NC1=O)C2=O ZINC000039262263 556627754 /nfs/dbraw/zinc/62/77/54/556627754.db2.gz ANRFRODGBYZULY-WGEMRTJTSA-N 0 0 437.580 4.025 40 0 IIABRN CCN(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985186 556631629 /nfs/dbraw/zinc/63/16/29/556631629.db2.gz UXEXXAJUMZYZFT-UHFFFAOYSA-N 0 0 445.766 4.060 40 0 IIABRN Cc1ccccc1C(=O)Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397367 556639504 /nfs/dbraw/zinc/63/95/04/556639504.db2.gz AUOWJFWUQJBIPA-UHFFFAOYSA-N 0 0 429.867 4.057 40 0 IIABRN COc1ccccc1Cn1ccc2nc3nc(C)nn3c(-c3cccc(Cl)c3)c2c1=O ZINC000040398362 556640336 /nfs/dbraw/zinc/64/03/36/556640336.db2.gz QBULNUXHMHPZDT-UHFFFAOYSA-N 0 0 431.883 4.125 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1 ZINC000017101350 556666065 /nfs/dbraw/zinc/66/60/65/556666065.db2.gz YIMLUSNCSGEGPX-UHFFFAOYSA-N 0 0 437.487 4.286 40 0 IIABRN Cc1ccccc1[C@H](NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccccc1 ZINC000044848210 556669969 /nfs/dbraw/zinc/66/99/69/556669969.db2.gz VFXYXSYBQYJFID-XMMPIXPASA-N 0 0 436.577 4.284 40 0 IIABRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2)c1 ZINC000018105624 556683946 /nfs/dbraw/zinc/68/39/46/556683946.db2.gz HMQXFUQKDXAHIM-UHFFFAOYSA-N 0 0 440.590 4.175 40 0 IIABRN COc1cc(CO)cc(I)c1OCc1ccc(Br)cc1 ZINC000226329244 556684187 /nfs/dbraw/zinc/68/41/87/556684187.db2.gz WPQNSIIIBVKLRI-UHFFFAOYSA-N 0 0 449.082 4.134 40 0 IIABRN COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000018224269 556687639 /nfs/dbraw/zinc/68/76/39/556687639.db2.gz UETZXOIQVRBLAJ-NSHDSACASA-N 0 0 428.710 4.376 40 0 IIABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000000780932 556693879 /nfs/dbraw/zinc/69/38/79/556693879.db2.gz PGSUTEVEVTXXAJ-UHFFFAOYSA-N 0 0 435.502 4.462 40 0 IIABRN Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2cc1C ZINC000000782540 556694185 /nfs/dbraw/zinc/69/41/85/556694185.db2.gz RLDFLCNTLFWBIF-QFIPXVFZSA-N 0 0 428.540 4.039 40 0 IIABRN CCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(NC(C)=O)cc4)cc3C2=O)cc1 ZINC000000793759 556695507 /nfs/dbraw/zinc/69/55/07/556695507.db2.gz BGQMKBYWWQYIIP-UHFFFAOYSA-N 0 0 444.443 4.415 40 0 IIABRN CC(C)(C)[C@H]1CCc2noc(C3CCN(C(=O)c4ccc(C(N)=O)cc4F)CC3)c2C1 ZINC000019082457 556697396 /nfs/dbraw/zinc/69/73/96/556697396.db2.gz HXEQRIDKJXUNJF-INIZCTEOSA-N 0 0 427.520 4.083 40 0 IIABRN CC(C)(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccnc(-c3cccnc3)c21 ZINC000019083078 556697675 /nfs/dbraw/zinc/69/76/75/556697675.db2.gz VDBQZMCGXYPXJJ-UHFFFAOYSA-N 0 0 430.483 4.383 40 0 IIABRN CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4ccc(N)nc4)CC3)cc2n1 ZINC000019083834 556698279 /nfs/dbraw/zinc/69/82/79/556698279.db2.gz DMIYIVJCNVXJAX-UHFFFAOYSA-N 0 0 446.477 4.043 40 0 IIABRN CC[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000048520921 556700215 /nfs/dbraw/zinc/70/02/15/556700215.db2.gz ICBSBTSRZHYVGZ-OYMMJLNRSA-N 0 0 441.524 4.414 40 0 IIABRN Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2C2CCN(C(=O)c3ccco3)CC2)on1 ZINC000019123071 556701987 /nfs/dbraw/zinc/70/19/87/556701987.db2.gz ULWKJEIRTLGKPY-MRXNPFEDSA-N 0 0 435.528 4.289 40 0 IIABRN O=C(c1ccccc1Cn1cncn1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257207897 556702037 /nfs/dbraw/zinc/70/20/37/556702037.db2.gz BJVJLSUZMGARHY-JOCHJYFZSA-N 0 0 444.926 4.414 40 0 IIABRN COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1nc(C)ncc1-c1ccncc1C ZINC000019134258 556705291 /nfs/dbraw/zinc/70/52/91/556705291.db2.gz OOCPFLIYLRVUKO-NRFANRHFSA-N 0 0 432.524 4.215 40 0 IIABRN CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000013648189 556707183 /nfs/dbraw/zinc/70/71/83/556707183.db2.gz ZOJIDIFKCOZITF-HJOGWXRNSA-N 0 0 428.488 4.309 40 0 IIABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013658663 556708154 /nfs/dbraw/zinc/70/81/54/556708154.db2.gz MSOIFKSYWYSVLK-SGNDLWITSA-N 0 0 444.487 4.145 40 0 IIABRN O=C(CCn1cnc2ccccc21)N1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257242041 556710342 /nfs/dbraw/zinc/71/03/42/556710342.db2.gz IAUSKLCKQDABMT-VWLOTQADSA-N 0 0 444.510 4.151 40 0 IIABRN COc1cccc(CC(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C(C)=O)c1 ZINC000257251821 556711622 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444.487 4.150 40 0 IIABRN O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000257306961 556718065 /nfs/dbraw/zinc/71/80/65/556718065.db2.gz SWSLDUUYCHHDRV-RUZDIDTESA-N 0 0 441.510 4.429 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)c1cc(C(C)C)no1 ZINC000019239747 556725454 /nfs/dbraw/zinc/72/54/54/556725454.db2.gz QCXAHHOAMKQWKW-FQEVSTJZSA-N 0 0 434.544 4.392 40 0 IIABRN COC(=O)c1c(C)c(C(=O)N2CCCCC2)sc1NC(=O)Cc1ccc(Cl)cc1 ZINC000000871276 556725522 /nfs/dbraw/zinc/72/55/22/556725522.db2.gz DBGCJNNWYAMLQA-UHFFFAOYSA-N 0 0 434.945 4.304 40 0 IIABRN CCOc1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 ZINC000000870465 556725524 /nfs/dbraw/zinc/72/55/24/556725524.db2.gz IWWYLWOBASTFEA-UHFFFAOYSA-N 0 0 439.566 4.347 40 0 IIABRN Cc1cnccc1-c1cnc(C)nc1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000019239805 556725663 /nfs/dbraw/zinc/72/56/63/556725663.db2.gz NSKAQTQUBUMVSD-OAQYLSRUSA-N 0 0 444.507 4.350 40 0 IIABRN COc1cc2cc(C)c3nnc(SCC(=O)N4CCCc5ccccc54)n3c2cc1OC ZINC000000877321 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CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccc(C)s2)C1 ZINC000019528614 556788480 /nfs/dbraw/zinc/78/84/80/556788480.db2.gz RTVMQDKPQJSVLL-RUZDIDTESA-N 0 0 448.592 4.115 40 0 IIABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)c2cnccn2)C1 ZINC000019528722 556789108 /nfs/dbraw/zinc/78/91/08/556789108.db2.gz XTANIDDGQLCTDU-HHHXNRCGSA-N 0 0 442.563 4.053 40 0 IIABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)c(Cl)c2)C1 ZINC000001363680 556789221 /nfs/dbraw/zinc/78/92/21/556789221.db2.gz BFRROVWIPJIRPQ-MRXNPFEDSA-N 0 0 436.961 4.087 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1Cl ZINC000001363710 556789437 /nfs/dbraw/zinc/78/94/37/556789437.db2.gz ZJXWPEVHSFYFGV-CYBMUJFWSA-N 0 0 445.343 4.480 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(Cc1ccc(F)cc1)C(=O)C(F)(F)F ZINC000001365680 556790097 /nfs/dbraw/zinc/79/00/97/556790097.db2.gz FNGJFWLZOAPWCC-LJQANCHMSA-N 0 0 437.437 4.302 40 0 IIABRN C[C@H]1Cc2cc(-c3csc(NC(=O)/C=C/c4ccccc4)n3)ccc2N1S(C)(=O)=O 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XHGDVSQYJGOVRP-NRFANRHFSA-N 0 0 438.499 4.195 40 0 IIABRN CCOCc1cc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019531159 556791820 /nfs/dbraw/zinc/79/18/20/556791820.db2.gz DALQUVNYYUNSMU-JOCHJYFZSA-N 0 0 434.540 4.104 40 0 IIABRN COc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000001378409 556795417 /nfs/dbraw/zinc/79/54/17/556795417.db2.gz PFIDPPBCQICHIQ-LJQANCHMSA-N 0 0 442.566 4.055 40 0 IIABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csnn2)o1 ZINC000001378432 556795640 /nfs/dbraw/zinc/79/56/40/556795640.db2.gz PFXVNPUAHLUCNF-HXUWFJFHSA-N 0 0 442.516 4.021 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csnn2)o1 ZINC000001378431 556795690 /nfs/dbraw/zinc/79/56/90/556795690.db2.gz PFXVNPUAHLUCNF-FQEVSTJZSA-N 0 0 442.516 4.021 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnc(C)nc2C)C1 ZINC000019552435 556796216 /nfs/dbraw/zinc/79/62/16/556796216.db2.gz VDDVMHDAKUYZKC-VWLOTQADSA-N 0 0 448.592 4.033 40 0 IIABRN O=C(CSc1nc2ccccc2n1Cc1ccccc1F)NCc1ccc2c(c1)OCO2 ZINC000001381404 556796858 /nfs/dbraw/zinc/79/68/58/556796858.db2.gz XLLNYTTWWPJGMM-UHFFFAOYSA-N 0 0 449.507 4.361 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)cc1 ZINC000019554137 556797807 /nfs/dbraw/zinc/79/78/07/556797807.db2.gz PTJUNBSSBYGXKS-SANMLTNESA-N 0 0 448.588 4.303 40 0 IIABRN COc1ccc(C(=O)NCCn2nc(-c3ccc(OC)cc3)cc2-c2cccnc2)s1 ZINC000019558012 556799812 /nfs/dbraw/zinc/79/98/12/556799812.db2.gz BAWYEAXBPBFZDG-UHFFFAOYSA-N 0 0 434.521 4.121 40 0 IIABRN Cc1c(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)[nH]c2c1C(=O)CCC2 ZINC000019563697 556804290 /nfs/dbraw/zinc/80/42/90/556804290.db2.gz CCXQVKKBOGCMNF-UHFFFAOYSA-N 0 0 448.571 4.115 40 0 IIABRN Cc1noc2nc([C@H]3CCCN(C(=O)c4cc(C(C)C)nn4C)C3)cc(C(F)(F)F)c12 ZINC000019564075 556804836 /nfs/dbraw/zinc/80/48/36/556804836.db2.gz BEHFRYJBGJXOIR-ZDUSSCGKSA-N 0 0 435.450 4.427 40 0 IIABRN COc1cccc([C@@H]2CN(C(=O)c3csc4c3CCCC4)C[C@]23CCCCC(=O)N3)c1 ZINC000019566125 556806856 /nfs/dbraw/zinc/80/68/56/556806856.db2.gz UAMSDICEBZZRKM-SQJMNOBHSA-N 0 0 438.593 4.304 40 0 IIABRN COc1ccccc1CCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 ZINC000019569797 556809845 /nfs/dbraw/zinc/80/98/45/556809845.db2.gz DHOFJHMDDCSWIK-NDEPHWFRSA-N 0 0 442.559 4.242 40 0 IIABRN Cc1cc(C)cc(-c2ccc(C[C@H]3CN(C(=O)Cc4cccnc4)CCN(C)C3=O)cc2)c1 ZINC000019569795 556809851 /nfs/dbraw/zinc/80/98/51/556809851.db2.gz GFWMEUYVZAIMOQ-SANMLTNESA-N 0 0 441.575 4.067 40 0 IIABRN CC(=O)Nc1ccc(OCC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)cc1C ZINC000019570926 556811132 /nfs/dbraw/zinc/81/11/32/556811132.db2.gz COYKGGDHAJLYAL-HSZRJFAPSA-N 0 0 447.539 4.180 40 0 IIABRN COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4csc(C)c4)CCNC3=O)cc2)cc1 ZINC000019571869 556812344 /nfs/dbraw/zinc/81/23/44/556812344.db2.gz NKRPHJUPRGQXTG-OAQYLSRUSA-N 0 0 434.561 4.163 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)Cc2cccnc2)C1 ZINC000019579171 556816659 /nfs/dbraw/zinc/81/66/59/556816659.db2.gz YJFFZRDPGBYCQB-AREMUKBSSA-N 0 0 447.604 4.292 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019579351 556817063 /nfs/dbraw/zinc/81/70/63/556817063.db2.gz WJUFNRJKUPCJPV-HHHXNRCGSA-N 0 0 445.538 4.441 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccncc2)C1 ZINC000019579405 556817126 /nfs/dbraw/zinc/81/71/26/556817126.db2.gz SPNFHRWSUNGBMO-HHHXNRCGSA-N 0 0 445.538 4.441 40 0 IIABRN COc1cccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccoc2C)c1 ZINC000004092297 556819611 /nfs/dbraw/zinc/81/96/11/556819611.db2.gz GYMXTSSUEIDDGN-UHFFFAOYSA-N 0 0 448.548 4.295 40 0 IIABRN CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccoc1C ZINC000004356248 556822149 /nfs/dbraw/zinc/82/21/49/556822149.db2.gz TZEXIGLDSOUIOV-UHFFFAOYSA-N 0 0 429.527 4.216 40 0 IIABRN CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)c2ccc(F)c(Cl)c2)n1 ZINC000019585301 556822575 /nfs/dbraw/zinc/82/25/75/556822575.db2.gz RLSPSBXXAXRVIT-LJQANCHMSA-N 0 0 425.895 4.374 40 0 IIABRN CN(C(=O)c1c[nH]nc1-c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1)c1ccccc1 ZINC000019586772 556823175 /nfs/dbraw/zinc/82/31/75/556823175.db2.gz YXXRFCPWPODRPQ-UHFFFAOYSA-N 0 0 442.494 4.351 40 0 IIABRN COc1cccc(-c2cccc(C[C@@H]3CN(C(=O)[C@@H]4CC45CCC5)CCN(C)C3=O)c2)c1 ZINC000019589517 556824308 /nfs/dbraw/zinc/82/43/08/556824308.db2.gz MQWGHUVEIPSPET-VWNXMTODSA-N 0 0 432.564 4.012 40 0 IIABRN COc1cccc(CC(=O)N2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3ccccc3)C2)c1 ZINC000019589603 556824366 /nfs/dbraw/zinc/82/43/66/556824366.db2.gz YJJPRLRTRKQXKL-DEOSSOPVSA-N 0 0 442.559 4.064 40 0 IIABRN COc1ccccc1C(=O)N1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2cccs2)C1 ZINC000019589667 556824622 /nfs/dbraw/zinc/82/46/22/556824622.db2.gz KMZVYPHSHQFFMZ-IBGZPJMESA-N 0 0 434.561 4.197 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccc(F)c2)C1 ZINC000019591191 556825974 /nfs/dbraw/zinc/82/59/74/556825974.db2.gz YVDWQNBOCMDTLU-SANMLTNESA-N 0 0 431.511 4.099 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)CC2CCCC2)C1 ZINC000019591419 556826691 /nfs/dbraw/zinc/82/66/91/556826691.db2.gz LVBSCZMTGGFHGU-MHZLTWQESA-N 0 0 434.580 4.450 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC000019591475 556826933 /nfs/dbraw/zinc/82/69/33/556826933.db2.gz VEOVODGXXDGNQO-SANMLTNESA-N 0 0 448.588 4.174 40 0 IIABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC000019591476 556826943 /nfs/dbraw/zinc/82/69/43/556826943.db2.gz ODTDCTXFAUNMGC-MUUNZHRXSA-N 0 0 442.559 4.112 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2cccc(OC)c2)C1 ZINC000019591574 556827251 /nfs/dbraw/zinc/82/72/51/556827251.db2.gz RUYKTIWKELCACW-RUZDIDTESA-N 0 0 434.561 4.245 40 0 IIABRN CCOc1ccc(NC(=S)N(CCCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000006089921 556828981 /nfs/dbraw/zinc/82/89/81/556828981.db2.gz QMIQMPRGJZGEGM-UHFFFAOYSA-N 0 0 439.581 4.125 40 0 IIABRN COCCCN[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccncc3)nn21 ZINC000019593321 556829826 /nfs/dbraw/zinc/82/98/26/556829826.db2.gz ADVSTMUCGOAHOJ-NRFANRHFSA-N 0 0 448.527 4.179 40 0 IIABRN Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2c1C ZINC000006441834 556835665 /nfs/dbraw/zinc/83/56/65/556835665.db2.gz QTCBTQBOBVCJKI-QFIPXVFZSA-N 0 0 428.540 4.039 40 0 IIABRN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2Br)cc1 ZINC000006601125 556837992 /nfs/dbraw/zinc/83/79/92/556837992.db2.gz IIBRHDNJEGNGMN-SFHVURJKSA-N 0 0 446.370 4.279 40 0 IIABRN Cc1nc(C)n(CC(=O)N2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)n1 ZINC000019688382 556843186 /nfs/dbraw/zinc/84/31/86/556843186.db2.gz AOUYSPZSYSAVFW-NRFANRHFSA-N 0 0 443.473 4.263 40 0 IIABRN COc1ccc2c(cc(C(=O)N3CCC[C@H](c4ccc(-c5cncnc5)cn4)C3)n2C)c1 ZINC000019688891 556843373 /nfs/dbraw/zinc/84/33/73/556843373.db2.gz ABRKDAVJUDRWPV-SFHVURJKSA-N 0 0 427.508 4.059 40 0 IIABRN Cc1cccc(C)c1OCC(=O)N1CCC[C@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1 ZINC000019688783 556843484 /nfs/dbraw/zinc/84/34/84/556843484.db2.gz RZLKMUFZZLOJHN-QHCPKHFHSA-N 0 0 429.520 4.207 40 0 IIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ccc(-c3ccc(N)nc3)cn2)cc1 ZINC000019688938 556843610 /nfs/dbraw/zinc/84/36/10/556843610.db2.gz GOXHHVLRZKTJFS-QFIPXVFZSA-N 0 0 432.524 4.256 40 0 IIABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000260504450 556846669 /nfs/dbraw/zinc/84/66/69/556846669.db2.gz IIIGZPHYHXPKMP-XIKOKIGWSA-N 0 0 430.904 4.040 40 0 IIABRN COCCc1ncc(CN2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 ZINC000019691920 556847973 /nfs/dbraw/zinc/84/79/73/556847973.db2.gz HZYVYAGSQIIQBY-VWLOTQADSA-N 0 0 432.568 4.305 40 0 IIABRN CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)c(C)n1 ZINC000019692041 556847986 /nfs/dbraw/zinc/84/79/86/556847986.db2.gz CPJXTYVOSORNAM-QFIPXVFZSA-N 0 0 442.560 4.171 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)s1 ZINC000019694097 556849152 /nfs/dbraw/zinc/84/91/52/556849152.db2.gz PURCNPHMPOKPHQ-MRXNPFEDSA-N 0 0 439.560 4.442 40 0 IIABRN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000019694621 556850856 /nfs/dbraw/zinc/85/08/56/556850856.db2.gz OYNIPTNIPPIMBO-HXUWFJFHSA-N 0 0 444.535 4.001 40 0 IIABRN CCc1ccc(N(CC(=O)NC(C)(C)CC)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1 ZINC000008995334 556853496 /nfs/dbraw/zinc/85/34/96/556853496.db2.gz ZWGQRBVHCZXFDP-UHFFFAOYSA-N 0 0 438.572 4.009 40 0 IIABRN Cc1nc(C2CCN(C(=O)CC3CCCC3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019705654 556862584 /nfs/dbraw/zinc/86/25/84/556862584.db2.gz NXYGPBNGULTLPT-UHFFFAOYSA-N 0 0 433.600 4.419 40 0 IIABRN Cc1nc(C2CCN(C(=O)c3ccccn3)CC2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000019705712 556862781 /nfs/dbraw/zinc/86/27/81/556862781.db2.gz UZLISLRPMAMUGU-UHFFFAOYSA-N 0 0 445.542 4.292 40 0 IIABRN C=C1[NH+]=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2ccc(F)cc2)C1C(=O)OCC ZINC000408873293 556875528 /nfs/dbraw/zinc/87/55/28/556875528.db2.gz SJKUXTYKLLYDTG-IBGZPJMESA-N 0 0 428.485 4.295 40 0 IIABRN C=C1[NH+]=C(SCc2cccc(C(=O)[O-])c2)N[C@H](c2ccc(F)cc2)C1C(=O)OCC ZINC000408873294 556875609 /nfs/dbraw/zinc/87/56/09/556875609.db2.gz SJKUXTYKLLYDTG-LJQANCHMSA-N 0 0 428.485 4.295 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2cnc(C(C)C)nc2)nc2c1CCC(=O)N2CC1CC1 ZINC000019741215 556882881 /nfs/dbraw/zinc/88/28/81/556882881.db2.gz CQKZNLNPFUYNOD-OAQYLSRUSA-N 0 0 434.588 4.115 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc2c1CCC(=O)N2CCC(C)C ZINC000019741398 556883647 /nfs/dbraw/zinc/88/36/47/556883647.db2.gz NOPRQXAMNPGBOP-QFIPXVFZSA-N 0 0 434.584 4.407 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)CC(C)C)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741688 556884545 /nfs/dbraw/zinc/88/45/45/556884545.db2.gz PBNMVFUJUCCTMP-JOCHJYFZSA-N 0 0 434.584 4.407 40 0 IIABRN Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)c4nccc5ccccc54)C3)cc(C(F)(F)F)c12 ZINC000019742144 556885864 /nfs/dbraw/zinc/88/58/64/556885864.db2.gz BSCBCIKEHUSBCM-CYBMUJFWSA-N 0 0 440.429 4.127 40 0 IIABRN COc1cccc(CC(=O)N2CCC(c3ccc4c(C)nn(-c5ccccn5)c4n3)CC2)c1 ZINC000019744705 556891346 /nfs/dbraw/zinc/89/13/46/556891346.db2.gz NMGWXZDGKOILAR-UHFFFAOYSA-N 0 0 441.535 4.081 40 0 IIABRN CCc1noc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 ZINC000019747003 556892508 /nfs/dbraw/zinc/89/25/08/556892508.db2.gz LSJUYFLOHLMTOG-JOCHJYFZSA-N 0 0 441.547 4.161 40 0 IIABRN CCc1noc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 ZINC000019747002 556892510 /nfs/dbraw/zinc/89/25/10/556892510.db2.gz LSJUYFLOHLMTOG-QFIPXVFZSA-N 0 0 441.547 4.161 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755768 556899199 /nfs/dbraw/zinc/89/91/99/556899199.db2.gz ITCNURDZQRBLQV-JOCHJYFZSA-N 0 0 432.499 4.473 40 0 IIABRN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000019756477 556900267 /nfs/dbraw/zinc/90/02/67/556900267.db2.gz FIHFJZWONFWIGP-UHFFFAOYSA-N 0 0 438.572 4.042 40 0 IIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1OC ZINC000408969858 556904281 /nfs/dbraw/zinc/90/42/81/556904281.db2.gz VQSVUDBVDUKWDI-UHFFFAOYSA-N 0 0 436.430 4.214 40 0 IIABRN O=C(c1ccncc1)N1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327335 556904291 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CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000222534215 557348138 /nfs/dbraw/zinc/34/81/38/557348138.db2.gz HXLRNFZLJOQPTD-RDPSFJRHSA-N 0 0 440.584 4.413 40 0 IIABRN COc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000222541913 557349174 /nfs/dbraw/zinc/34/91/74/557349174.db2.gz ZLJJGFCAQOWEEE-UHFFFAOYSA-N 0 0 440.521 4.090 40 0 IIABRN CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584887 557349514 /nfs/dbraw/zinc/34/95/14/557349514.db2.gz VOTZSMQBOICDIZ-IBGZPJMESA-N 0 0 438.549 4.158 40 0 IIABRN FC(F)(F)c1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCSCC2)cc1 ZINC000013561840 557352286 /nfs/dbraw/zinc/35/22/86/557352286.db2.gz ZHVHZTCVXBVQJL-LJQANCHMSA-N 0 0 433.503 4.073 40 0 IIABRN O=C(Oc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1)c1ccc(Cl)cc1 ZINC000044835479 557352529 /nfs/dbraw/zinc/35/25/29/557352529.db2.gz XSDLBZRAKVGYGY-MOSHPQCFSA-N 0 0 432.888 4.330 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 ZINC000222574850 557354726 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O=C(NCc1ccccc1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1cccnc1 ZINC000015935711 557467120 /nfs/dbraw/zinc/46/71/20/557467120.db2.gz ZLQJUSZBUCLHJY-DEOSSOPVSA-N 0 0 440.478 4.320 40 0 IIABRN CCOc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000223404539 557467397 /nfs/dbraw/zinc/46/73/97/557467397.db2.gz OLZIOOQYLGXOMS-UHFFFAOYSA-N 0 0 428.510 4.060 40 0 IIABRN COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1C ZINC000015987545 557468580 /nfs/dbraw/zinc/46/85/80/557468580.db2.gz LZWGAYVFIHKPND-UHFFFAOYSA-N 0 0 428.492 4.474 40 0 IIABRN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000016025493 557468912 /nfs/dbraw/zinc/46/89/12/557468912.db2.gz XXWCMLUHWQOZSX-UHFFFAOYSA-N 0 0 448.588 4.316 40 0 IIABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1cccnc1 ZINC000223453353 557473470 /nfs/dbraw/zinc/47/34/70/557473470.db2.gz OOXNWRRWFOFITK-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 ZINC000223452397 557473501 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557481708 /nfs/dbraw/zinc/48/17/08/557481708.db2.gz HKKYUCHTBPZWDL-UHFFFAOYSA-N 0 0 448.972 4.161 40 0 IIABRN COc1cc2c(cc1S(=O)(=O)N1CCN(c3cc(Cl)ccc3C)CC1)CCCC2 ZINC000223527532 557482384 /nfs/dbraw/zinc/48/23/84/557482384.db2.gz PNNZJUAXJVXHNP-UHFFFAOYSA-N 0 0 434.989 4.047 40 0 IIABRN COc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000017099518 557483205 /nfs/dbraw/zinc/48/32/05/557483205.db2.gz LBDOBMWLMOZSRF-UHFFFAOYSA-N 0 0 435.484 4.003 40 0 IIABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000017099810 557483529 /nfs/dbraw/zinc/48/35/29/557483529.db2.gz XVJUHAADVATVTD-UHFFFAOYSA-N 0 0 435.933 4.223 40 0 IIABRN Cc1nc(NC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1Br ZINC000017100025 557483959 /nfs/dbraw/zinc/48/39/59/557483959.db2.gz ISWUJJLCMWNCIN-UHFFFAOYSA-N 0 0 436.375 4.342 40 0 IIABRN O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)NC1=NCCS1 ZINC000017094756 557485157 /nfs/dbraw/zinc/48/51/57/557485157.db2.gz MSCWFCOQCBOZNR-FNORWQNLSA-N 0 0 426.350 4.360 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1F ZINC000223557637 557485747 /nfs/dbraw/zinc/48/57/47/557485747.db2.gz BOVUQSXQWSEAES-LJQANCHMSA-N 0 0 430.589 4.435 40 0 IIABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCO ZINC000223565162 557486892 /nfs/dbraw/zinc/48/68/92/557486892.db2.gz BOEMGQRMRWACLO-VXKWHMMOSA-N 0 0 441.000 4.416 40 0 IIABRN COc1cc(OC)cc(N2C(=O)CS[C@@]23c2cccc4c2N(C3=O)C(C)(C)C=C4C)c1 ZINC000017100435 557489151 /nfs/dbraw/zinc/48/91/51/557489151.db2.gz SUIQSZHQZIHNQH-XMMPIXPASA-N 0 0 436.533 4.179 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000223597150 557490316 /nfs/dbraw/zinc/49/03/16/557490316.db2.gz CIINREGOZBKDOR-UHFFFAOYSA-N 0 0 442.581 4.124 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C(C)C ZINC000223600783 557490679 /nfs/dbraw/zinc/49/06/79/557490679.db2.gz JNEFOPPBAXSAIQ-UHFFFAOYSA-N 0 0 435.933 4.343 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1OC ZINC000223609157 557491263 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IIABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000223648215 557496852 /nfs/dbraw/zinc/49/68/52/557496852.db2.gz RQRSSNYRVXMXLE-UHFFFAOYSA-N 0 0 442.324 4.014 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223648788 557496860 /nfs/dbraw/zinc/49/68/60/557496860.db2.gz CSXZLOCEZZGGKJ-YADHBBJMSA-N 0 0 426.586 4.151 40 0 IIABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000223655525 557498061 /nfs/dbraw/zinc/49/80/61/557498061.db2.gz KJAWGTBABTZGBR-UHFFFAOYSA-N 0 0 432.354 4.457 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 ZINC000223655702 557498065 /nfs/dbraw/zinc/49/80/65/557498065.db2.gz JNVNBYPXGBOSKM-QHCPKHFHSA-N 0 0 426.557 4.106 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)ccc1C ZINC000223662757 557498964 /nfs/dbraw/zinc/49/89/64/557498964.db2.gz SXGDYKOSHWOKDF-JOCHJYFZSA-N 0 0 440.584 4.413 40 0 IIABRN Fc1ccccc1N1CCN([C@@H](c2cccs2)c2nnnn2C2CCCCC2)CC1 ZINC000019349882 557499193 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COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000223700859 557503931 /nfs/dbraw/zinc/50/39/31/557503931.db2.gz FVMLLNONNYQXOQ-RTWAWAEBSA-N 0 0 439.562 4.361 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c(Cl)c1Cl ZINC000223758342 557509881 /nfs/dbraw/zinc/50/98/81/557509881.db2.gz JCXMRPBVWATZID-UHFFFAOYSA-N 0 0 442.324 4.181 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2cc(C)cc(C)c2)cc1 ZINC000019947492 557511371 /nfs/dbraw/zinc/51/13/71/557511371.db2.gz WEMYIJIHOSIVGK-UHFFFAOYSA-N 0 0 436.577 4.166 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1NC(C)=O ZINC000223788572 557513367 /nfs/dbraw/zinc/51/33/67/557513367.db2.gz JGCDIYFHYZMDAP-UHFFFAOYSA-N 0 0 440.521 4.076 40 0 IIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223827319 557517925 /nfs/dbraw/zinc/51/79/25/557517925.db2.gz PBRNADOXACPLQN-INIZCTEOSA-N 0 0 432.923 4.334 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2cccc(C)c2)cc1 ZINC000020234894 557518236 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IIABRN CCc1ccc(CC)c(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000223911909 557527858 /nfs/dbraw/zinc/52/78/58/557527858.db2.gz BXUQRMWGUMAQLJ-UHFFFAOYSA-N 0 0 437.005 4.327 40 0 IIABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000223917241 557528565 /nfs/dbraw/zinc/52/85/65/557528565.db2.gz MASLXYGEGZLROD-GOSISDBHSA-N 0 0 442.581 4.146 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3cccc(C)c3C)cc2)cc1 ZINC000223921369 557529244 /nfs/dbraw/zinc/52/92/44/557529244.db2.gz JFILUJUOUBEHCN-UHFFFAOYSA-N 0 0 438.549 4.221 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(C)cc1 ZINC000223923838 557529570 /nfs/dbraw/zinc/52/95/70/557529570.db2.gz SRWJRKBBEQMHHR-QGZVFWFLSA-N 0 0 431.374 4.244 40 0 IIABRN COc1ccc(CNC(=S)Nc2ncc(Br)c(C)c2Br)cc1 ZINC000223925697 557529585 /nfs/dbraw/zinc/52/95/85/557529585.db2.gz BBDPZYXCBTWJMJ-UHFFFAOYSA-N 0 0 445.180 4.410 40 0 IIABRN Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1C ZINC000223930534 557530300 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CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223989543 557540178 /nfs/dbraw/zinc/54/01/78/557540178.db2.gz FGQJXDMPIMCBMI-QFIPXVFZSA-N 0 0 446.975 4.451 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1c1ccc2c(c1)OCO2 ZINC000224001526 557542191 /nfs/dbraw/zinc/54/21/91/557542191.db2.gz DGZSYYRGDDORSD-PKTZIBPZSA-N 0 0 441.516 4.173 40 0 IIABRN COc1cccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224014911 557544581 /nfs/dbraw/zinc/54/45/81/557544581.db2.gz XVHWTJDNBIFABQ-GOSISDBHSA-N 0 0 426.582 4.263 40 0 IIABRN COc1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C ZINC000224017726 557545088 /nfs/dbraw/zinc/54/50/88/557545088.db2.gz WHLKOZSYHTVPPQ-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ncc(Cl)nc1Cl ZINC000224017400 557545136 /nfs/dbraw/zinc/54/51/36/557545136.db2.gz RFLMHYOPKKLWRU-UHFFFAOYSA-N 0 0 431.776 4.472 40 0 IIABRN S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ccc(N2CCCC2)nc1 ZINC000224022292 557546340 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446.931 4.150 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3ccccc3)cc2C)cc1 ZINC000224210679 557575733 /nfs/dbraw/zinc/57/57/33/557575733.db2.gz RDTGOROWOCNNKP-UHFFFAOYSA-N 0 0 436.577 4.491 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc2C)cc1 ZINC000224223867 557577255 /nfs/dbraw/zinc/57/72/55/557577255.db2.gz FMAJWIGPBUTYEX-UHFFFAOYSA-N 0 0 428.485 4.220 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCOC(C)C)c(Cl)c2)cc1 ZINC000224241801 557580011 /nfs/dbraw/zinc/58/00/11/557580011.db2.gz JGQXZZFMDYVWOK-UHFFFAOYSA-N 0 0 438.977 4.018 40 0 IIABRN COc1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224268055 557583191 /nfs/dbraw/zinc/58/31/91/557583191.db2.gz YQTIPJZPVIHYLK-UHFFFAOYSA-N 0 0 430.913 4.426 40 0 IIABRN CN(c1cccc(C(=O)N2CCc3ccccc32)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224273075 557583821 /nfs/dbraw/zinc/58/38/21/557583821.db2.gz JOLLCMLHLSMJJN-UHFFFAOYSA-N 0 0 426.925 4.368 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)cc1 ZINC000224282098 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ZINC000224474363 557610154 /nfs/dbraw/zinc/61/01/54/557610154.db2.gz GTAGGRRKGBLKHW-HXUWFJFHSA-N 0 0 448.563 4.417 40 0 IIABRN COc1ccc(CN(C(=O)CSCc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224476697 557610464 /nfs/dbraw/zinc/61/04/64/557610464.db2.gz ZDVBTRBAXUEHQL-SFHVURJKSA-N 0 0 446.588 4.257 40 0 IIABRN CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCc2cccc(Cl)c2)c1 ZINC000224488590 557611891 /nfs/dbraw/zinc/61/18/91/557611891.db2.gz PTKMWFBYUITSHQ-UHFFFAOYSA-N 0 0 432.904 4.234 40 0 IIABRN Cc1cc(C(=O)NCc2cccc(Cl)c2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224495795 557612797 /nfs/dbraw/zinc/61/27/97/557612797.db2.gz RXFFJQSNUFZVSM-UHFFFAOYSA-N 0 0 428.941 4.404 40 0 IIABRN CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cccc2ccccc21 ZINC000224506408 557614039 /nfs/dbraw/zinc/61/40/39/557614039.db2.gz CZHMXOHPTBGFLO-OAQYLSRUSA-N 0 0 432.564 4.451 40 0 IIABRN CCN(c1ccc(C(=O)N(C)Cc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 ZINC000224508499 557614464 /nfs/dbraw/zinc/61/44/64/557614464.db2.gz APTZQGXVHWCRMI-UHFFFAOYSA-N 0 0 426.513 4.313 40 0 IIABRN CN(Cc1ccc(C(=O)NCc2ccccc2F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224519162 557615657 /nfs/dbraw/zinc/61/56/57/557615657.db2.gz HNWUUIPGSLOXLN-UHFFFAOYSA-N 0 0 446.931 4.230 40 0 IIABRN COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224534143 557617542 /nfs/dbraw/zinc/61/75/42/557617542.db2.gz YYTRUNJPIJWJBD-XNTDXEJSSA-N 0 0 426.469 4.287 40 0 IIABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 ZINC000224544196 557619540 /nfs/dbraw/zinc/61/95/40/557619540.db2.gz ILKIFRDMLRWBDI-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2)c1 ZINC000224567289 557624640 /nfs/dbraw/zinc/62/46/40/557624640.db2.gz FVBLWQZZNXTTDN-UHFFFAOYSA-N 0 0 438.505 4.096 40 0 IIABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 ZINC000224571519 557625293 /nfs/dbraw/zinc/62/52/93/557625293.db2.gz BGKZQQUMDVXYFS-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224593482 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CCCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c1 ZINC000107612542 569250559 /nfs/dbraw/zinc/25/05/59/569250559.db2.gz ODMSZUKTXVZZDO-UHFFFAOYSA-N 0 0 427.482 4.043 40 0 IIABRN Cc1cccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1C ZINC000107754661 569251232 /nfs/dbraw/zinc/25/12/32/569251232.db2.gz SWLQDPOBCLNFGS-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000107835643 569251338 /nfs/dbraw/zinc/25/13/38/569251338.db2.gz BWKCIQREFNWWNF-UHFFFAOYSA-N 0 0 444.641 4.369 40 0 IIABRN CCOc1cc(C(=O)NCc2ccccc2)cc(I)c1OCC ZINC000107804027 569251343 /nfs/dbraw/zinc/25/13/43/569251343.db2.gz FMOKJJKGVPCHTR-UHFFFAOYSA-N 0 0 425.266 4.019 40 0 IIABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(C)cc1 ZINC000137911308 569253843 /nfs/dbraw/zinc/25/38/43/569253843.db2.gz SSSDQYUVFCOGNA-RXVVDRJESA-N 0 0 434.989 4.317 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1Cl ZINC000138794033 569254146 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O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1 ZINC000009252400 569294796 /nfs/dbraw/zinc/29/47/96/569294796.db2.gz CHLMOMWZBYUKOB-UFYCRDLUSA-N 0 0 440.931 4.012 40 0 IIABRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccn1 ZINC000261362280 569315554 /nfs/dbraw/zinc/31/55/54/569315554.db2.gz CPWBQQKHMBWKBP-QFIPXVFZSA-O 0 0 436.561 4.118 40 0 IIABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)n1 ZINC000019692666 569326495 /nfs/dbraw/zinc/32/64/95/569326495.db2.gz TXGYLNIWDVHEHN-DEOSSOPVSA-N 0 0 443.526 4.470 40 0 IIABRN CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000019700328 569327137 /nfs/dbraw/zinc/32/71/37/569327137.db2.gz XOAIGQLCZXKGFM-UHFFFAOYSA-N 0 0 427.548 4.350 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)COc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019753359 569328378 /nfs/dbraw/zinc/32/83/78/569328378.db2.gz DFGZWCOTOSBQIL-QFIPXVFZSA-N 0 0 430.508 4.170 40 0 IIABRN CNc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)nc([C@H]2CCCN2C)n1 ZINC000019760049 569328660 /nfs/dbraw/zinc/32/86/60/569328660.db2.gz CWQUCRSREWNMKU-JOCHJYFZSA-N 0 0 429.568 4.076 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)COc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019765034 569329057 /nfs/dbraw/zinc/32/90/57/569329057.db2.gz MKKFSGBERZEUJK-JOCHJYFZSA-N 0 0 448.498 4.309 40 0 IIABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCN2C(=O)CCc2ccccc2F)n1 ZINC000019767258 569329192 /nfs/dbraw/zinc/32/91/92/569329192.db2.gz KRSNPGKFBBEXJH-HSZRJFAPSA-N 0 0 446.526 4.150 40 0 IIABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000003468592 569452068 /nfs/dbraw/zinc/45/20/68/569452068.db2.gz IOQABHWJEWSUSL-UHFFFAOYSA-N 0 0 438.340 4.095 40 0 IIABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218649414 569459030 /nfs/dbraw/zinc/45/90/30/569459030.db2.gz AXQUOHFDAOCSSP-ZJOUEHCJSA-N 0 0 438.014 4.151 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060749 569583214 /nfs/dbraw/zinc/58/32/14/569583214.db2.gz WNNPTGIPTWBFEK-GOSISDBHSA-N 0 0 436.434 4.676 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccncc2)n1 ZINC000329068754 569583460 /nfs/dbraw/zinc/58/34/60/569583460.db2.gz YSNTVFJKDXJBGS-SFHVURJKSA-N 0 0 446.324 4.613 40 0 IIABRN Cc1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCCO)n1 ZINC000328978817 569583506 /nfs/dbraw/zinc/58/35/06/569583506.db2.gz GBYMDNKPOZHWKW-UHFFFAOYSA-N 0 0 436.409 5.028 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1Cl ZINC000032126547 569584083 /nfs/dbraw/zinc/58/40/83/569584083.db2.gz UDVNIQWKRHTGFI-UHFFFAOYSA-N 0 0 446.985 4.222 40 0 IIABRN COc1ccc(C(O)(c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c(OC)c1 ZINC000024605661 569587275 /nfs/dbraw/zinc/58/72/75/569587275.db2.gz SBBUIJKOSQBPNN-UHFFFAOYSA-N 0 0 440.492 4.022 40 0 IIABRN C[C@H](C(=O)NC(C)(C)C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883843 291384424 /nfs/dbraw/zinc/38/44/24/291384424.db2.gz YPHBQXFAIJVVDD-GVGXLFMHSA-N 0 0 442.644 4.088 40 0 biogenic,in-vitro IIABRN C[C@H](C(=O)NC(C)(C)C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883728 291384430 /nfs/dbraw/zinc/38/44/30/291384430.db2.gz SBOAWQIEPWARTC-JJEGWLJMSA-N 0 0 446.607 4.298 40 0 biogenic,in-vitro IIABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000253402973 291384656 /nfs/dbraw/zinc/38/46/56/291384656.db2.gz PDQFRADRGIMMHL-AWEZNQCLSA-N 0 0 429.879 4.150 40 0 biogenic,in-vitro IIABRN COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)c3cccnc3)C=C2C)cc1 ZINC000030880627 291383412 /nfs/dbraw/zinc/38/34/12/291383412.db2.gz WWPBKQQXCDAAEW-LSQMVHIFSA-N 0 0 449.595 4.381 40 0 biogenic,in-vitro IIABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223319534 193966333 /nfs/dbraw/zinc/96/63/33/193966333.db2.gz FRIHMOIBRBZKAN-OYDLWJJNSA-N 0 0 448.592 4.423 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223265867 193959189 /nfs/dbraw/zinc/95/91/89/193959189.db2.gz FJIDQTYQUQFTTQ-NHCUHLMSSA-N 0 0 432.586 4.124 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1C(C)C ZINC000223288977 193963282 /nfs/dbraw/zinc/96/32/82/193963282.db2.gz XRPLJAUCWGOUKK-IBGZPJMESA-N 0 0 446.613 4.387 40 0 IIABRN COc1ccc(CCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1C ZINC000223304434 193964793 /nfs/dbraw/zinc/96/47/93/193964793.db2.gz JCYCVAHMLNITDE-UHFFFAOYSA-N 0 0 430.302 4.065 40 0 IIABRN CCOc1ccc(N(CCCC(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 ZINC000223342418 193968522 /nfs/dbraw/zinc/96/85/22/193968522.db2.gz UMQROOGPKPGINV-UHFFFAOYSA-N 0 0 446.613 4.073 40 0 IIABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)cc2c1 ZINC000000782124 132230415 /nfs/dbraw/zinc/23/04/15/132230415.db2.gz JULZDCKOTCEGKN-QHCPKHFHSA-N 0 0 442.567 4.374 40 0 IIABRN COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(Br)cc2)C(=S)N1 ZINC000008768782 132293775 /nfs/dbraw/zinc/29/37/75/132293775.db2.gz ZOGSMAMWDZHNAO-KXBFYZLASA-N 0 0 433.327 4.170 40 0 IIABRN CNc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000009937771 132332184 /nfs/dbraw/zinc/33/21/84/132332184.db2.gz OHLICOWNAMRGER-HNNXBMFYSA-N 0 0 437.931 4.004 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000010009299 132333855 /nfs/dbraw/zinc/33/38/55/132333855.db2.gz LMYDLOFXMDTFOG-OAQYLSRUSA-N 0 0 442.924 4.076 40 0 IIABRN O=C(Nc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000010009298 132333866 /nfs/dbraw/zinc/33/38/66/132333866.db2.gz XBMAHOZHJYUARC-NRFANRHFSA-N 0 0 442.924 4.076 40 0 IIABRN Cc1occc1-c1nc(N2CCN(c3cccc(C)c3C)CC2)ncc1-c1cnccn1 ZINC000013227607 132346216 /nfs/dbraw/zinc/34/62/16/132346216.db2.gz LKWNPEBHOKMLNU-UHFFFAOYSA-N 0 0 426.524 4.445 40 0 IIABRN Cc1sc(NC(=O)CN2CCN(c3ccccc3)CC2)c(C(=O)c2ccccc2)c1C ZINC000013511910 132349064 /nfs/dbraw/zinc/34/90/64/132349064.db2.gz YVQOZNPNWUJBTB-UHFFFAOYSA-N 0 0 433.577 4.357 40 0 IIABRN COc1ccc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)c(OC)c1OC ZINC000013567561 132350475 /nfs/dbraw/zinc/35/04/75/132350475.db2.gz PXWNKGJWDUEDNG-HNNXBMFYSA-N 0 0 443.883 4.006 40 0 IIABRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCCc2ccccc21 ZINC000013675424 132352995 /nfs/dbraw/zinc/35/29/95/132352995.db2.gz SISZWOKWIPWEOR-UHFFFAOYSA-N 0 0 432.973 4.498 40 0 IIABRN O=C(Nc1ccc(F)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013680745 132353243 /nfs/dbraw/zinc/35/32/43/132353243.db2.gz YQWDTWJKNJIWGD-FQEVSTJZSA-N 0 0 446.887 4.074 40 0 IIABRN O=C(Nc1cccc(F)c1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013682184 132353289 /nfs/dbraw/zinc/35/32/89/132353289.db2.gz JBRHRRFNMGMVEX-HXUWFJFHSA-N 0 0 446.887 4.074 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012637897 518747911 /nfs/dbraw/zinc/74/79/11/518747911.db2.gz DYDCDMVTUSGVCF-SFHVURJKSA-N 0 0 428.945 4.494 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc2c1CCCC2 ZINC000012871335 518749160 /nfs/dbraw/zinc/74/91/60/518749160.db2.gz NRXPYTBDXCXFPA-NRFANRHFSA-N 0 0 449.580 4.115 40 0 IIABRN CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4ccncc4)C3)cc(C(F)(F)F)n2n1 ZINC000012186834 519006739 /nfs/dbraw/zinc/00/67/39/519006739.db2.gz RQAVMRXXDXUSIY-OAHLLOKOSA-N 0 0 431.462 4.460 40 0 IIABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)Cc3ccccn3)CC1)N2 ZINC000019084174 519006777 /nfs/dbraw/zinc/00/67/77/519006777.db2.gz IKXXMXRGSIKNCA-ZWKOTPCHSA-N 0 0 431.531 4.047 40 0 IIABRN CC(C)(C)c1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000022374202 519034515 /nfs/dbraw/zinc/03/45/15/519034515.db2.gz LKHYUZYAIPEGTN-FQEVSTJZSA-N 0 0 444.597 4.169 40 0 IIABRN CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466842 520523123 /nfs/dbraw/zinc/52/31/23/520523123.db2.gz WTUINAJLGQLDHV-QOQAKOHJSA-N 0 0 442.644 4.042 40 0 biogenic,in-vitro IIABRN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccccc1OC(C)C ZINC000017100360 520540896 /nfs/dbraw/zinc/54/08/96/520540896.db2.gz SNZGOERUJUKPMO-QFIPXVFZSA-N 0 0 436.533 4.434 40 0 IIABRN CCCCN1c2nc3ccccc3n2[C@@H](c2c[nH]c3ccccc32)[C@@H](C(=O)OCC)C1=O ZINC000020675486 520601242 /nfs/dbraw/zinc/60/12/42/520601242.db2.gz SITPGCWUQVQJCC-YADHBBJMSA-N 0 0 430.508 4.433 40 0 IIABRN CC1C(=O)N[C@@H](SCC(=O)Nc2ccc(Cl)cc2Cl)N(c2ccccc2)C1=O ZINC000014406289 520840581 /nfs/dbraw/zinc/84/05/81/520840581.db2.gz BIGHJWHYPNLTEA-LJQANCHMSA-N 0 0 438.336 4.375 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccccc2)cc1 ZINC000022519503 521187226 /nfs/dbraw/zinc/18/72/26/521187226.db2.gz JWDSIBLCEBSYML-UHFFFAOYSA-N 0 0 430.570 4.072 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022427771 521252982 /nfs/dbraw/zinc/25/29/82/521252982.db2.gz QBZPDSZDYSPVQF-IBGZPJMESA-N 0 0 438.549 4.158 40 0 IIABRN CCCCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(C)S(=O)(=O)CC)cc1 ZINC000022252978 521284580 /nfs/dbraw/zinc/28/45/80/521284580.db2.gz GMQAVPGOCCRMTD-UHFFFAOYSA-N 0 0 434.558 4.085 40 0 IIABRN CCOc1ccc2nc(NC(=O)c3cccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)c3)sc2c1 ZINC000012412325 521306058 /nfs/dbraw/zinc/30/60/58/521306058.db2.gz GHUCWSGWAPEYKG-QZTJIDSGSA-N 0 0 447.516 4.403 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1Cl ZINC000012870874 521336029 /nfs/dbraw/zinc/33/60/29/521336029.db2.gz OIVFBJNEBNGYMQ-GOSISDBHSA-N 0 0 443.960 4.279 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000012867718 521343635 /nfs/dbraw/zinc/34/36/35/521343635.db2.gz LIQBBQYKFIACPM-SFHVURJKSA-N 0 0 430.505 4.272 40 0 IIABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Sc1n[nH]c(-c2ccccc2O)n1 ZINC000012482886 521391070 /nfs/dbraw/zinc/39/10/70/521391070.db2.gz UHEQBHBBLCFJMY-LBPRGKRZSA-N 0 0 446.554 4.152 40 0 IIABRN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1 ZINC000012186641 521434676 /nfs/dbraw/zinc/43/46/76/521434676.db2.gz SUPCDFOTIVWKQT-OAHLLOKOSA-N 0 0 446.931 4.094 40 0 IIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000016687824 521478524 /nfs/dbraw/zinc/47/85/24/521478524.db2.gz NKQULMSTDUCMTN-UHFFFAOYSA-N 0 0 437.496 4.119 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2I)c(Cl)c1 ZINC000020455101 521517568 /nfs/dbraw/zinc/51/75/68/521517568.db2.gz MIFYIENTLCVGAM-UHFFFAOYSA-N 0 0 429.641 4.374 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2I)cc1Cl ZINC000020491142 521517616 /nfs/dbraw/zinc/51/76/16/521517616.db2.gz JBFHIBAWDFBEOZ-UHFFFAOYSA-N 0 0 429.641 4.374 40 0 IIABRN CCc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000022379749 521866285 /nfs/dbraw/zinc/86/62/85/521866285.db2.gz NOXRZRWQTMYWCW-UHFFFAOYSA-N 0 0 438.549 4.400 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000020488604 522668672 /nfs/dbraw/zinc/66/86/72/522668672.db2.gz OPAVKRJLHXORNG-HSZRJFAPSA-N 0 0 428.598 4.113 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000020481230 522670183 /nfs/dbraw/zinc/67/01/83/522670183.db2.gz HXKIWHVDPICGKK-OAQYLSRUSA-N 0 0 434.989 4.149 40 0 IIABRN CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022279517 522684720 /nfs/dbraw/zinc/68/47/20/522684720.db2.gz GRQZSGJESOZOFX-HSZRJFAPSA-N 0 0 438.549 4.158 40 0 IIABRN CCc1nn(CC(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc3ccsc3n21 ZINC000012114294 522702950 /nfs/dbraw/zinc/70/29/50/522702950.db2.gz JEHUMCKIBSSYPP-UHFFFAOYSA-N 0 0 442.544 4.179 40 0 IIABRN CCc1nn2c(nnc3c2ccn(-c2cccc(OC)c2)c3=O)c1-c1cccc(Cl)c1 ZINC000022610695 522714067 /nfs/dbraw/zinc/71/40/67/522714067.db2.gz PFLPBGOJLOQFLI-UHFFFAOYSA-N 0 0 431.883 4.320 40 0 IIABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(OC)cc1 ZINC000024595336 522793894 /nfs/dbraw/zinc/79/38/94/522793894.db2.gz ULRSZNJXYCOVFS-HSZRJFAPSA-N 0 0 438.549 4.401 40 0 IIABRN COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@@H]1c1ccccc1 ZINC000020568877 522871500 /nfs/dbraw/zinc/87/15/00/522871500.db2.gz ZDULINHCLAPNNO-ZJSXRUAMSA-N 0 0 437.565 4.154 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3cccc(C)c3[nH]c1=O)N(C(=O)c1ccco1)CC2 ZINC000012471814 523040318 /nfs/dbraw/zinc/04/03/18/523040318.db2.gz NKIZLFMAJZVTCG-DEOSSOPVSA-N 0 0 444.487 4.235 40 0 IIABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020491519 523041826 /nfs/dbraw/zinc/04/18/26/523041826.db2.gz PUNYZCVVJRJPBG-OAQYLSRUSA-N 0 0 428.485 4.423 40 0 IIABRN CCn1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)c2ccccc21 ZINC000022234522 523330308 /nfs/dbraw/zinc/33/03/08/523330308.db2.gz KOMOFENOCLDIRR-UHFFFAOYSA-N 0 0 429.442 4.003 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc2n1 ZINC000012257518 523778881 /nfs/dbraw/zinc/77/88/81/523778881.db2.gz QDTLZEMSRBUDRF-OAHLLOKOSA-N 0 0 434.437 4.398 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000022229852 523796097 /nfs/dbraw/zinc/79/60/97/523796097.db2.gz PVCCNIUKNKLWIE-QGZVFWFLSA-N 0 0 443.352 4.102 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000022229854 523797480 /nfs/dbraw/zinc/79/74/80/523797480.db2.gz PVCCNIUKNKLWIE-KRWDZBQOSA-N 0 0 443.352 4.102 40 0 IIABRN COc1ccc(C)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000022386867 523822805 /nfs/dbraw/zinc/82/28/05/523822805.db2.gz DZRYWADPWCTBCU-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@@H](c3nc4sc5c(c4c(=O)[nH]3)CCCC5)C2)cc1 ZINC000012129151 523891845 /nfs/dbraw/zinc/89/18/45/523891845.db2.gz CVMSIOUHMOONQX-MRXNPFEDSA-N 0 0 437.565 4.233 40 0 IIABRN CC[C@H](C)N(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000022256804 523944858 /nfs/dbraw/zinc/94/48/58/523944858.db2.gz QDIWPUQAQSPWNL-LBPRGKRZSA-N 0 0 441.962 4.450 40 0 IIABRN CCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000022383391 523971941 /nfs/dbraw/zinc/97/19/41/523971941.db2.gz PYFXCBZKDKBQEC-UHFFFAOYSA-N 0 0 442.512 4.231 40 0 IIABRN COc1ccc(CC[NH2+][C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)[O-])cc1 ZINC000012378016 523977774 /nfs/dbraw/zinc/97/77/74/523977774.db2.gz BGMBNQXETBFUGX-HSZRJFAPSA-N 0 0 434.492 4.102 40 0 IIABRN CN1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000020464167 524011981 /nfs/dbraw/zinc/01/19/81/524011981.db2.gz XTNUURHKASKCJD-YOEHRIQHSA-N 0 0 433.846 4.235 40 0 biogenic,in-vitro IIABRN COc1ccc(CN(Cc2cc3ccc(C)cc3n3nnnc23)C(=O)c2ccco2)cc1 ZINC000035289714 524014163 /nfs/dbraw/zinc/01/41/63/524014163.db2.gz DTPANUMMLWKEDY-UHFFFAOYSA-N 0 0 427.464 4.030 40 0 IIABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3OC)cc2c1 ZINC000012706710 524057632 /nfs/dbraw/zinc/05/76/32/524057632.db2.gz PTHJCJVAWNYVAY-HXUWFJFHSA-N 0 0 435.524 4.312 40 0 IIABRN C[C@@H]1CCCN(CC(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)C1 ZINC000012239970 524221657 /nfs/dbraw/zinc/22/16/57/524221657.db2.gz IIXUJCPODISQKX-MRXNPFEDSA-N 0 0 438.597 4.170 40 0 IIABRN Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000036006999 524277315 /nfs/dbraw/zinc/27/73/15/524277315.db2.gz QDYNHOKMRBDKAV-QTJGBDASSA-N 0 0 428.488 4.369 40 0 IIABRN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2 ZINC000012875374 524297147 /nfs/dbraw/zinc/29/71/47/524297147.db2.gz ZQYADPKINCRQAA-UHFFFAOYSA-N 0 0 449.551 4.072 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccn1 ZINC000035289132 524300000 /nfs/dbraw/zinc/30/00/00/524300000.db2.gz YAAKEWNIZVEDDQ-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 ZINC000035289101 524301839 /nfs/dbraw/zinc/30/18/39/524301839.db2.gz ZWTGFEOXFPYCEX-UHFFFAOYSA-N 0 0 435.484 4.208 40 0 IIABRN COc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2n2nnnc12 ZINC000035311108 524339200 /nfs/dbraw/zinc/33/92/00/524339200.db2.gz HAYJJAQSOGNGOS-UHFFFAOYSA-N 0 0 437.503 4.437 40 0 IIABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000022251528 524356915 /nfs/dbraw/zinc/35/69/15/524356915.db2.gz JHGLZLJJEQTDTM-UHFFFAOYSA-N 0 0 437.732 4.304 40 0 IIABRN COc1ccccc1CCC(=O)N1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 ZINC000012257903 524393000 /nfs/dbraw/zinc/39/30/00/524393000.db2.gz WPYFKBNLCSJKDS-MRXNPFEDSA-N 0 0 432.446 4.014 40 0 IIABRN Cc1cc(C)cc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c1 ZINC000012472021 524402148 /nfs/dbraw/zinc/40/21/48/524402148.db2.gz SASFUVWSWWREGF-JOCHJYFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000012469877 524422624 /nfs/dbraw/zinc/42/26/24/524422624.db2.gz KJMZYHJUAKFTLP-WZONZLPQSA-N 0 0 439.585 4.049 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1C ZINC000035289294 524599357 /nfs/dbraw/zinc/59/93/57/524599357.db2.gz WDSHHMUSDWQQDD-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1OC ZINC000022532680 524627953 /nfs/dbraw/zinc/62/79/53/524627953.db2.gz PHHMYEDGQNAQIC-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN Cc1ccc(Cl)cc1N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccncc1 ZINC000012871146 524727004 /nfs/dbraw/zinc/72/70/04/524727004.db2.gz VXKIZCLWPNVPHL-GOSISDBHSA-N 0 0 443.960 4.198 40 0 IIABRN Cc1cccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)c1C ZINC000012254910 524776607 /nfs/dbraw/zinc/77/66/07/524776607.db2.gz GOGMXJYQHYCIIZ-GOSISDBHSA-N 0 0 431.536 4.124 40 0 IIABRN Cc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2cccc(F)c2)c1 ZINC000012870319 524814210 /nfs/dbraw/zinc/81/42/10/524814210.db2.gz PIGBWDNPFVPOKS-NRFANRHFSA-N 0 0 438.528 4.433 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1C ZINC000022231051 525071637 /nfs/dbraw/zinc/07/16/37/525071637.db2.gz XPFADXLGGOSHJM-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000022535887 525099725 /nfs/dbraw/zinc/09/97/25/525099725.db2.gz DHTJQODFHLMPMD-QGZVFWFLSA-N 0 0 444.503 4.033 40 0 IIABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(C)cc2)cc1 ZINC000012636876 525116522 /nfs/dbraw/zinc/11/65/22/525116522.db2.gz JNUKZAHXFCNIIG-FQEVSTJZSA-N 0 0 438.553 4.158 40 0 IIABRN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)OCCO2 ZINC000021316450 525117769 /nfs/dbraw/zinc/11/77/69/525117769.db2.gz GKKONTNIHQKTPQ-LLVKDONJSA-N 0 0 426.694 4.130 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000022231078 525158024 /nfs/dbraw/zinc/15/80/24/525158024.db2.gz SNXDSNQKPWGRTG-UHFFFAOYSA-N 0 0 444.940 4.324 40 0 IIABRN COc1ccc2[nH]c(C(=O)N3CCC[C@@H]([C@H]4CC(=O)c5ccccc5O4)C3)cc2c1OC ZINC000012237014 525479612 /nfs/dbraw/zinc/47/96/12/525479612.db2.gz VQHVYMHPELOGQC-IQMFZBJNSA-N 0 0 434.492 4.071 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C2CCCCC2)cc1 ZINC000022535471 525506771 /nfs/dbraw/zinc/50/67/71/525506771.db2.gz GFXYDYHEAFVERG-SFHVURJKSA-N 0 0 432.561 4.335 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccccc2F)cc1 ZINC000022431524 525506931 /nfs/dbraw/zinc/50/69/31/525506931.db2.gz OMNUIRMVUGAIFU-KRWDZBQOSA-N 0 0 444.503 4.346 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccccc1 ZINC000035313028 525530540 /nfs/dbraw/zinc/53/05/40/525530540.db2.gz RZBNYWZZDFMTSV-GOSISDBHSA-N 0 0 441.560 4.458 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cc2cccs2)c2cccnc2)cc1 ZINC000012492819 525678361 /nfs/dbraw/zinc/67/83/61/525678361.db2.gz HNTFQKQNGFOETB-URXFXBBRSA-N 0 0 449.576 4.064 40 0 IIABRN COc1cccc(-c2nn(CC(=O)Nc3ccc(C(C)=O)cc3)c(=S)n2-n2cccc2)c1 ZINC000016778117 525731562 /nfs/dbraw/zinc/73/15/62/525731562.db2.gz DDSCSLHNOHNQFW-UHFFFAOYSA-N 0 0 447.520 4.044 40 0 IIABRN COc1cccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccc(O)cc2)c1 ZINC000012474596 525746048 /nfs/dbraw/zinc/74/60/48/525746048.db2.gz MUAYQDHFIAUIFO-MRXNPFEDSA-N 0 0 438.553 4.142 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000020453382 525885776 /nfs/dbraw/zinc/88/57/76/525885776.db2.gz ISWBZRISVFSSBY-KRWDZBQOSA-N 0 0 434.989 4.068 40 0 IIABRN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccnc2)cc1C ZINC000035316159 525899689 /nfs/dbraw/zinc/89/96/89/525899689.db2.gz ZXZMFQJNAPKMOS-UHFFFAOYSA-N 0 0 429.549 4.355 40 0 IIABRN Cc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000035314820 525979611 /nfs/dbraw/zinc/97/96/11/525979611.db2.gz QLQCHKINHAUKHH-RUZDIDTESA-N 0 0 442.567 4.151 40 0 IIABRN Cc1ccc([C@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(CC2CCCCC2)[C@@H]4C(=O)NC2CCCC2)cc1 ZINC000012645312 526046886 /nfs/dbraw/zinc/04/68/86/526046886.db2.gz FQIDKPSCQYBSCJ-QTDWVDHPSA-N 0 0 448.607 4.252 40 0 IIABRN CSc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)c1 ZINC000022389317 526111741 /nfs/dbraw/zinc/11/17/41/526111741.db2.gz XKDXEZLYHAQOCQ-UHFFFAOYSA-N 0 0 436.555 4.443 40 0 IIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O ZINC000022426673 526173240 /nfs/dbraw/zinc/17/32/40/526173240.db2.gz YMOXVKHPGPXBGO-FQEVSTJZSA-N 0 0 444.597 4.105 40 0 IIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022426643 526174154 /nfs/dbraw/zinc/17/41/54/526174154.db2.gz ILSNKFMVTWDQCR-HXUWFJFHSA-N 0 0 444.597 4.303 40 0 IIABRN COc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1 ZINC000012219788 526238590 /nfs/dbraw/zinc/23/85/90/526238590.db2.gz OANHVHOHZJONDV-ZHRRBRCNSA-N 0 0 432.524 4.144 40 0 IIABRN c1ccc2[nH]c(N(C[C@H]3CCCO3)Cn3c4ccccc4nc3NC[C@@H]3CCCO3)nc2c1 ZINC000035810193 526500665 /nfs/dbraw/zinc/50/06/65/526500665.db2.gz VZOARRZNRMDKQP-RBUKOAKNSA-N 0 0 446.555 4.147 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)[nH]c3c(-c4cccc(F)c4)nnn3c2c1 ZINC000021867430 526661093 /nfs/dbraw/zinc/66/10/93/526661093.db2.gz ZTOAHMKODVDAOZ-UHFFFAOYSA-N 0 0 447.857 4.373 40 0 IIABRN O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021004160 526699572 /nfs/dbraw/zinc/69/95/72/526699572.db2.gz XTVJIDSHSVBFRQ-UHFFFAOYSA-N 0 0 439.559 4.361 40 0 IIABRN Cc1sc(NC(=O)CN(C(=O)Nc2ccccc2F)C2CCCC2)c(C(N)=O)c1C ZINC000035292422 526879630 /nfs/dbraw/zinc/87/96/30/526879630.db2.gz XSHJUHORTMCGTR-UHFFFAOYSA-N 0 0 432.521 4.018 40 0 IIABRN O=C(CSc1nnc2c3cc(Br)ccc3[nH]c2n1)Nc1ccccc1F ZINC000035312773 527089242 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O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000000661424 555527060 /nfs/dbraw/zinc/52/70/60/555527060.db2.gz XRSKELAZHQVTTK-UHFFFAOYSA-N 0 0 431.316 4.172 40 0 IIABRN COC(=O)[C@@H](C)Sc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1 ZINC000000916873 555583434 /nfs/dbraw/zinc/58/34/34/555583434.db2.gz UXWYSJJQAWNEFE-CYBMUJFWSA-N 0 0 448.342 4.262 40 0 IIABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)[C@@H](Cc1ccccc1)N1C(=O)c3ccccc3C1=O)C2 ZINC000001146371 555653822 /nfs/dbraw/zinc/65/38/22/555653822.db2.gz RWUDXDWPQKYBIC-JQXZYWDBSA-N 0 0 430.548 4.321 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1 ZINC000001223727 555686020 /nfs/dbraw/zinc/68/60/20/555686020.db2.gz URXGIMBLAJFYPO-UHFFFAOYSA-N 0 0 446.532 4.438 40 0 IIABRN COc1ccc(C)cc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000001368114 555692694 /nfs/dbraw/zinc/69/26/94/555692694.db2.gz DIKSMDQRNIKOKA-LBPRGKRZSA-N 0 0 429.567 4.157 40 0 IIABRN Cc1cc(C)c(NS(=O)(=O)c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1 ZINC000001651979 555708285 /nfs/dbraw/zinc/70/82/85/555708285.db2.gz AYTAROZYGOMGFA-UHFFFAOYSA-N 0 0 430.551 4.213 40 0 IIABRN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408527604 555718102 /nfs/dbraw/zinc/71/81/02/555718102.db2.gz DZMYGIUQXZBQIS-LBPRGKRZSA-N 0 0 431.316 4.172 40 0 IIABRN CCCCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 ZINC000001903702 555723560 /nfs/dbraw/zinc/72/35/60/555723560.db2.gz XFBABNMKCCMRRN-UHFFFAOYSA-N 0 0 426.900 4.117 40 0 IIABRN C=COC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000001997350 555727220 /nfs/dbraw/zinc/72/72/20/555727220.db2.gz QNPQOSKMAOKAKA-INIZCTEOSA-N 0 0 443.521 4.319 40 0 IIABRN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000002018218 555727602 /nfs/dbraw/zinc/72/76/02/555727602.db2.gz ZUFRJXYMPGMUGG-UJRRAURJSA-N 0 0 432.557 4.032 40 0 IIABRN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408536071 555758666 /nfs/dbraw/zinc/75/86/66/555758666.db2.gz XSHZCHWAOHXOFZ-JOCHJYFZSA-N 0 0 426.582 4.247 40 0 IIABRN CCc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408546484 555801446 /nfs/dbraw/zinc/80/14/46/555801446.db2.gz SVLSOCKQJAJOHO-UHFFFAOYSA-N 0 0 448.588 4.338 40 0 IIABRN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000002728517 555803436 /nfs/dbraw/zinc/80/34/36/555803436.db2.gz CRXLFSCKDUOBCR-LJQANCHMSA-N 0 0 439.924 4.464 40 0 IIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000408549554 555830344 /nfs/dbraw/zinc/83/03/44/555830344.db2.gz ZWKUANFDRRESNW-AWEZNQCLSA-N 0 0 429.369 4.081 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408551904 555878450 /nfs/dbraw/zinc/87/84/50/555878450.db2.gz NIRYQEHMQAXKDT-UHFFFAOYSA-N 0 0 444.940 4.422 40 0 IIABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000408553184 555882140 /nfs/dbraw/zinc/88/21/40/555882140.db2.gz OUQFGCOFDKSESK-CYBMUJFWSA-N 0 0 437.348 4.130 40 0 IIABRN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408555475 555888473 /nfs/dbraw/zinc/88/84/73/555888473.db2.gz XEPMIASCEZZXMQ-ZDUSSCGKSA-N 0 0 445.368 4.478 40 0 IIABRN CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 ZINC000408556468 555893876 /nfs/dbraw/zinc/89/38/76/555893876.db2.gz CWIRAZLRRDVNNM-SFHVURJKSA-N 0 0 432.611 4.373 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4ccccc43)C2)cc1 ZINC000408558586 555897823 /nfs/dbraw/zinc/89/78/23/555897823.db2.gz SBHJZJFBGVOCCN-IBGZPJMESA-N 0 0 438.549 4.278 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)NC1CCCC1 ZINC000035146916 555898386 /nfs/dbraw/zinc/89/83/86/555898386.db2.gz SBLYFKKLXQYVMJ-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1 ZINC000408559438 555898988 /nfs/dbraw/zinc/89/89/88/555898988.db2.gz MCOPZKJHOXQXON-CYBMUJFWSA-N 0 0 443.352 4.041 40 0 IIABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1 ZINC000408559751 555899268 /nfs/dbraw/zinc/89/92/68/555899268.db2.gz YMXDLFNFSDFPEY-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C ZINC000408564544 555917729 /nfs/dbraw/zinc/91/77/29/555917729.db2.gz ZJLLLMUZHZSZAR-UHFFFAOYSA-N 0 0 436.961 4.149 40 0 IIABRN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)sc2c1CCC2 ZINC000408573902 555924597 /nfs/dbraw/zinc/92/45/97/555924597.db2.gz FAZFKPBMFINUKH-ZRDIBKRKSA-N 0 0 431.510 4.091 40 0 IIABRN COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Br)cc1 ZINC000408574903 555925529 /nfs/dbraw/zinc/92/55/29/555925529.db2.gz MZZCFQHDAMJKLE-QGZVFWFLSA-N 0 0 436.371 4.481 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)NC1CCCCC1 ZINC000408584675 555934785 /nfs/dbraw/zinc/93/47/85/555934785.db2.gz SWNPLFLPIBISCB-IBGZPJMESA-N 0 0 428.598 4.357 40 0 IIABRN O=C(NC1CCCCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408585269 555935501 /nfs/dbraw/zinc/93/55/01/555935501.db2.gz YICMEJBTXQOXNW-QFIPXVFZSA-N 0 0 449.016 4.459 40 0 IIABRN CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl ZINC000408584654 555937478 /nfs/dbraw/zinc/93/74/78/555937478.db2.gz SOSHHBNJPXVLOE-UHFFFAOYSA-N 0 0 436.961 4.141 40 0 IIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1OCC ZINC000408588666 555937948 /nfs/dbraw/zinc/93/79/48/555937948.db2.gz XPAKRTQXJYXAOL-UHFFFAOYSA-N 0 0 443.319 4.217 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NC1CCCCCC1 ZINC000408589278 555940113 /nfs/dbraw/zinc/94/01/13/555940113.db2.gz GTWZBWUXTNTRQQ-UHFFFAOYSA-N 0 0 436.961 4.359 40 0 IIABRN CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)ccc1OCC ZINC000408588736 555940747 /nfs/dbraw/zinc/94/07/47/555940747.db2.gz YFVZZCLOOFGRJV-UHFFFAOYSA-N 0 0 428.894 4.117 40 0 IIABRN CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408589167 555944853 /nfs/dbraw/zinc/94/48/53/555944853.db2.gz DTYFMQHDHVAZPS-UHFFFAOYSA-N 0 0 434.867 4.228 40 0 IIABRN CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593141 555954844 /nfs/dbraw/zinc/95/48/44/555954844.db2.gz LPNQGFGMOUKMRJ-KSSFIOAISA-N 0 0 443.396 4.188 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408600396 555958911 /nfs/dbraw/zinc/95/89/11/555958911.db2.gz AOQFAHBAHPJIDB-UHFFFAOYSA-N 0 0 436.961 4.231 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1OC ZINC000408593528 555959583 /nfs/dbraw/zinc/95/95/83/555959583.db2.gz AQQDSOZQNJNRLA-UHFFFAOYSA-N 0 0 429.723 4.247 40 0 IIABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408594737 555960776 /nfs/dbraw/zinc/96/07/76/555960776.db2.gz OWWSUEJMVASSDP-SFHVURJKSA-N 0 0 432.586 4.459 40 0 IIABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595256 555961666 /nfs/dbraw/zinc/96/16/66/555961666.db2.gz UNSGATZZEVXUGV-SFHVURJKSA-N 0 0 430.570 4.320 40 0 IIABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC)c1 ZINC000408597007 555964737 /nfs/dbraw/zinc/96/47/37/555964737.db2.gz XXVNBVSJOHZBPQ-UHFFFAOYSA-N 0 0 428.489 4.012 40 0 IIABRN O=C(Nc1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408607865 555969710 /nfs/dbraw/zinc/96/97/10/555969710.db2.gz QRVFNRGXKXPGEW-FQEVSTJZSA-N 0 0 448.466 4.234 40 0 IIABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408602845 555971806 /nfs/dbraw/zinc/97/18/06/555971806.db2.gz JKPPJZSVRFSHRB-FQEVSTJZSA-N 0 0 448.466 4.234 40 0 IIABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)c1 ZINC000408603088 555972170 /nfs/dbraw/zinc/97/21/70/555972170.db2.gz FEUBDUGCIGKZLE-UHFFFAOYSA-N 0 0 434.867 4.380 40 0 IIABRN COC(=O)c1ccc(-c2ccc([C@H]3NC(=S)NC(C)=C3C(=O)Nc3ccccc3)o2)cc1 ZINC000408608387 555979124 /nfs/dbraw/zinc/97/91/24/555979124.db2.gz WEONUWWVQZXFGJ-OAQYLSRUSA-N 0 0 447.516 4.165 40 0 IIABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2=O)cc1 ZINC000408615238 555986496 /nfs/dbraw/zinc/98/64/96/555986496.db2.gz NTJXQQIBJATEDW-GOSISDBHSA-N 0 0 449.551 4.139 40 0 IIABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408616058 555987003 /nfs/dbraw/zinc/98/70/03/555987003.db2.gz VGWIIFWUANUYAT-CYBMUJFWSA-N 0 0 434.323 4.123 40 0 IIABRN CC(C)Oc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408616468 555987398 /nfs/dbraw/zinc/98/73/98/555987398.db2.gz GQSUIRQACJHXOE-UHFFFAOYSA-N 0 0 442.512 4.447 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2)cc1 ZINC000408619772 555988619 /nfs/dbraw/zinc/98/86/19/555988619.db2.gz NHJXXQDZTYZDNG-NRFANRHFSA-N 0 0 436.577 4.328 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000408619900 555988980 /nfs/dbraw/zinc/98/89/80/555988980.db2.gz OHMAPFGKNAHVAB-GOSISDBHSA-N 0 0 446.569 4.054 40 0 IIABRN CSc1nc2sc(C(=O)Nc3cccc(NC(C)=O)c3)cc2c(N2CCCC2)n1 ZINC000408620306 555989592 /nfs/dbraw/zinc/98/95/92/555989592.db2.gz LSQZOOKYPMJIEG-UHFFFAOYSA-N 0 0 427.555 4.224 40 0 IIABRN CCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)N=C3N=CNN32)cc1 ZINC000408623405 555992324 /nfs/dbraw/zinc/99/23/24/555992324.db2.gz TVJCVKOMJYVXEI-QFIPXVFZSA-N 0 0 433.512 4.046 40 0 IIABRN CCCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)N=C3N=CNN32)cc1 ZINC000408623403 555992338 /nfs/dbraw/zinc/99/23/38/555992338.db2.gz TVJCVKOMJYVXEI-JOCHJYFZSA-N 0 0 433.512 4.046 40 0 IIABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000408624585 555994283 /nfs/dbraw/zinc/99/42/83/555994283.db2.gz QUMJYEOEQKIGHX-UHFFFAOYSA-N 0 0 431.341 4.008 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(Cl)c1 ZINC000408626990 555997815 /nfs/dbraw/zinc/99/78/15/555997815.db2.gz XATMZGUSTJQOAA-UHFFFAOYSA-N 0 0 438.977 4.361 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000408635468 556013059 /nfs/dbraw/zinc/01/30/59/556013059.db2.gz BSDNAQZQFDIPBE-UHFFFAOYSA-N 0 0 434.533 4.187 40 0 IIABRN Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000408640403 556016679 /nfs/dbraw/zinc/01/66/79/556016679.db2.gz AXNNRJSJGNYITM-QZTJIDSGSA-N 0 0 438.911 4.064 40 0 IIABRN Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000408640405 556016708 /nfs/dbraw/zinc/01/67/08/556016708.db2.gz AXNNRJSJGNYITM-ROUUACIJSA-N 0 0 438.911 4.064 40 0 IIABRN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O ZINC000408640725 556016845 /nfs/dbraw/zinc/01/68/45/556016845.db2.gz IMLCYTKIDMQBBR-MRXNPFEDSA-N 0 0 444.915 4.153 40 0 IIABRN COc1ccc(NC(=O)c2cc3c(nc(SC)nc3N3CCCC3)s2)c(OC)c1 ZINC000408636493 556019229 /nfs/dbraw/zinc/01/92/29/556019229.db2.gz RDJCTSAXNCKGBL-UHFFFAOYSA-N 0 0 430.555 4.283 40 0 IIABRN Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408636398 556019277 /nfs/dbraw/zinc/01/92/77/556019277.db2.gz PQTGTVVILUAUQL-UHFFFAOYSA-N 0 0 449.454 4.140 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2cc3c(nc(SC)nc3N3CCCC3)s2)c1 ZINC000408637061 556019840 /nfs/dbraw/zinc/01/98/40/556019840.db2.gz WURZSJOBJCLGJA-UHFFFAOYSA-N 0 0 430.555 4.283 40 0 IIABRN CCOc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(OC)cc2)cc1 ZINC000408645076 556021208 /nfs/dbraw/zinc/02/12/08/556021208.db2.gz JHXTYODJENQYLD-UHFFFAOYSA-N 0 0 433.460 4.120 40 0 IIABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O ZINC000408646785 556022367 /nfs/dbraw/zinc/02/23/67/556022367.db2.gz WKVUMRAFJIHORS-HNNXBMFYSA-N 0 0 431.330 4.456 40 0 IIABRN O=C(C[C@](O)(CCc1ccccc1)c1ccccc1)N1CCC(O)(c2ccccc2)CC1 ZINC000004962702 556023612 /nfs/dbraw/zinc/02/36/12/556023612.db2.gz JLVMQHPMGWHVJQ-MUUNZHRXSA-N 0 0 429.560 4.407 40 0 IIABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2CC)CC1=O ZINC000408649331 556025836 /nfs/dbraw/zinc/02/58/36/556025836.db2.gz ZZQUYCQWNVKBTD-OAHLLOKOSA-N 0 0 431.330 4.402 40 0 IIABRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O)c1ccc(Cl)cc1 ZINC000408650673 556026830 /nfs/dbraw/zinc/02/68/30/556026830.db2.gz MQGXHCFZPXQKPX-UHFFFAOYSA-N 0 0 439.682 4.036 40 0 IIABRN CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408651775 556027678 /nfs/dbraw/zinc/02/76/78/556027678.db2.gz HIFYRVVHZIIQFY-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)Nc1cccc(Cl)c1 ZINC000408653534 556032079 /nfs/dbraw/zinc/03/20/79/556032079.db2.gz IJMZVCWXEJBIIO-LLVKDONJSA-N 0 0 441.698 4.182 40 0 IIABRN Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 ZINC000408655736 556034285 /nfs/dbraw/zinc/03/42/85/556034285.db2.gz LXZTUYQZJJJYTB-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 ZINC000408656068 556034809 /nfs/dbraw/zinc/03/48/09/556034809.db2.gz FGRLYCIMZLTROX-IWMITWMQSA-N 0 0 448.519 4.025 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)cc1C ZINC000408659523 556039411 /nfs/dbraw/zinc/03/94/11/556039411.db2.gz JXNNIZKHQOQKMV-RTOPAQNCSA-N 0 0 448.519 4.025 40 0 IIABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 ZINC000408660731 556040973 /nfs/dbraw/zinc/04/09/73/556040973.db2.gz VDOICKODOCBYRX-LJQANCHMSA-N 0 0 444.487 4.322 40 0 IIABRN Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)c1 ZINC000408661083 556041295 /nfs/dbraw/zinc/04/12/95/556041295.db2.gz DCRNTIKGJJFXEX-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c(C)c1 ZINC000408661317 556041782 /nfs/dbraw/zinc/04/17/82/556041782.db2.gz MJNYCOKCAIQBIX-ZLGUVYLKSA-N 0 0 448.519 4.025 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c(C)c1 ZINC000408662206 556043290 /nfs/dbraw/zinc/04/32/90/556043290.db2.gz NIQYXCDGLOFIIS-MAODMQOUSA-N 0 0 448.519 4.025 40 0 IIABRN CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408666589 556051520 /nfs/dbraw/zinc/05/15/20/556051520.db2.gz RDDPAQKFVCXSDO-UHFFFAOYSA-N 0 0 430.888 4.142 40 0 IIABRN CC(=O)O[C@H]1N(C(C)=O)[C@H](SC23CC4CC(CC(C4)C2)C3)C(C)=C[C@]1(C)OC(C)=O ZINC000005432790 556052608 /nfs/dbraw/zinc/05/26/08/556052608.db2.gz BECSDSMCMZTCPM-BQCUAQIKSA-N 0 0 435.586 4.034 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1C ZINC000408669136 556054661 /nfs/dbraw/zinc/05/46/61/556054661.db2.gz MVOWKOWQUUBKLB-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000408669176 556054938 /nfs/dbraw/zinc/05/49/38/556054938.db2.gz MZXKYACEVCHPGP-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)Nc1ccccc1C(F)(F)F ZINC000408667217 556055312 /nfs/dbraw/zinc/05/53/12/556055312.db2.gz SAWAKATYWROPKQ-UHFFFAOYSA-N 0 0 434.292 4.002 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Cl)cc1 ZINC000408667940 556056815 /nfs/dbraw/zinc/05/68/15/556056815.db2.gz SGOZOJZCXTWFPJ-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN CCCC[C@H](C(=O)OCC(=O)Nc1cccc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000408667964 556056828 /nfs/dbraw/zinc/05/68/28/556056828.db2.gz UHECIKYNWASPFL-JOCHJYFZSA-N 0 0 444.487 4.177 40 0 IIABRN COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000005765715 556065044 /nfs/dbraw/zinc/06/50/44/556065044.db2.gz REYIAAMXMFWCTM-AWKKRCEGSA-N 0 0 441.524 4.414 40 0 IIABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000408674976 556066101 /nfs/dbraw/zinc/06/61/01/556066101.db2.gz FOBWCSZABGOTLJ-UHFFFAOYSA-N 0 0 427.460 4.395 40 0 IIABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000408675648 556068233 /nfs/dbraw/zinc/06/82/33/556068233.db2.gz KEWBQFPMRPBQHK-UHFFFAOYSA-N 0 0 430.913 4.079 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 ZINC000408677268 556071062 /nfs/dbraw/zinc/07/10/62/556071062.db2.gz BKGVCKQTOHWPLA-OAQYLSRUSA-N 0 0 444.535 4.097 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000408679029 556073517 /nfs/dbraw/zinc/07/35/17/556073517.db2.gz HRRIYLWODQFYNG-UHFFFAOYSA-N 0 0 446.569 4.137 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000035363024 556086205 /nfs/dbraw/zinc/08/62/05/556086205.db2.gz IMUOAGPDUPIRDO-HSZRJFAPSA-N 0 0 438.505 4.323 40 0 IIABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)CC1=O ZINC000408687216 556088183 /nfs/dbraw/zinc/08/81/83/556088183.db2.gz TXLUJTQOVZWXKT-NRFANRHFSA-N 0 0 444.535 4.043 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000408687447 556088540 /nfs/dbraw/zinc/08/85/40/556088540.db2.gz UKJVYEJIKJJRCC-UHFFFAOYSA-N 0 0 438.281 4.052 40 0 IIABRN COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(C)c(Cl)c2)n1 ZINC000408692978 556092684 /nfs/dbraw/zinc/09/26/84/556092684.db2.gz ZYYXJIATELZPCQ-UHFFFAOYSA-N 0 0 449.736 4.035 40 0 IIABRN COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2cccc(Cl)c2C)n1 ZINC000408692896 556092755 /nfs/dbraw/zinc/09/27/55/556092755.db2.gz XUPBCNXZJPMPBF-UHFFFAOYSA-N 0 0 449.736 4.035 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCC1 ZINC000408693145 556093549 /nfs/dbraw/zinc/09/35/49/556093549.db2.gz JIGQEMQPIYQYIC-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000408695749 556098041 /nfs/dbraw/zinc/09/80/41/556098041.db2.gz UPCMJUJAWLQSOU-UHFFFAOYSA-N 0 0 439.002 4.410 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C(=O)N1CCCC1 ZINC000408693434 556099266 /nfs/dbraw/zinc/09/92/66/556099266.db2.gz UJHRVZCOLUIVCG-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1NC(=O)CC ZINC000408696868 556100810 /nfs/dbraw/zinc/10/08/10/556100810.db2.gz FLINLGNLDIWEKK-UHFFFAOYSA-N 0 0 445.310 4.136 40 0 IIABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000408697071 556100853 /nfs/dbraw/zinc/10/08/53/556100853.db2.gz HAVPPGRTECYHOZ-UHFFFAOYSA-N 0 0 440.521 4.424 40 0 IIABRN COc1ccc(-n2nc(C(=O)Nc3cc(OC)ccc3OC)nc2-c2ccc(F)cc2)cc1 ZINC000408699076 556101586 /nfs/dbraw/zinc/10/15/86/556101586.db2.gz ULZBHQSDCGQNAI-UHFFFAOYSA-N 0 0 448.454 4.352 40 0 IIABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC(C)C ZINC000408701077 556103844 /nfs/dbraw/zinc/10/38/44/556103844.db2.gz QXUUUJYXBKIUBZ-UHFFFAOYSA-N 0 0 431.341 4.331 40 0 IIABRN CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000408703513 556108520 /nfs/dbraw/zinc/10/85/20/556108520.db2.gz TZWVNQKQCHPTDI-UHFFFAOYSA-N 0 0 430.570 4.239 40 0 IIABRN O=C(NCc1cccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704350 556109527 /nfs/dbraw/zinc/10/95/27/556109527.db2.gz MIQNCBUJQUAGFS-QHCPKHFHSA-N 0 0 437.952 4.439 40 0 IIABRN CC(C)(C)SCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408705859 556111918 /nfs/dbraw/zinc/11/19/18/556111918.db2.gz OWXKSTZNSJDNMP-UHFFFAOYSA-N 0 0 441.446 4.188 40 0 IIABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 ZINC000408710166 556116897 /nfs/dbraw/zinc/11/68/97/556116897.db2.gz QTUBEFUIRZQPMM-UHFFFAOYSA-N 0 0 443.547 4.303 40 0 IIABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC2CCCCC2)cc1 ZINC000408710227 556117159 /nfs/dbraw/zinc/11/71/59/556117159.db2.gz TYZJFJVBJARGIA-UHFFFAOYSA-N 0 0 435.568 4.204 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1 ZINC000408713370 556130195 /nfs/dbraw/zinc/13/01/95/556130195.db2.gz VQENBCMZCOVVOC-UHFFFAOYSA-N 0 0 430.551 4.337 40 0 IIABRN COc1ccc(-c2nnc(CN(C)C(=O)[C@H](C)Sc3ccc(C)cc3)o2)cc1OC ZINC000408714930 556132530 /nfs/dbraw/zinc/13/25/30/556132530.db2.gz YTTBVOVPIKQRTN-HNNXBMFYSA-N 0 0 427.526 4.201 40 0 IIABRN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSc1nnc2c3cc(F)ccc3[nH]c2n1 ZINC000008666857 556197918 /nfs/dbraw/zinc/19/79/18/556197918.db2.gz UDAVFICUFADFSE-LLVKDONJSA-N 0 0 425.464 4.244 40 0 IIABRN Cc1cc(Br)ccc1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408736778 556204786 /nfs/dbraw/zinc/20/47/86/556204786.db2.gz HSDFJKVHMFEZAT-QGZVFWFLSA-N 0 0 435.343 4.408 40 0 IIABRN CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC000408739200 556209426 /nfs/dbraw/zinc/20/94/26/556209426.db2.gz ZKDDHQGALHOLBI-HTAPYJJXSA-N 0 0 436.508 4.276 40 0 IIABRN CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)c1ccccc1 ZINC000408739296 556209512 /nfs/dbraw/zinc/20/95/12/556209512.db2.gz ZKDDHQGALHOLBI-VGOFRKELSA-N 0 0 436.508 4.276 40 0 IIABRN COc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3n2C)cc(OC)c1OC ZINC000008834694 556225664 /nfs/dbraw/zinc/22/56/64/556225664.db2.gz SLZKCYGXQVRXPW-FQEVSTJZSA-N 0 0 445.519 4.313 40 0 IIABRN CCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccc(C)cc4)n3)OC2=O)C(=O)O1 ZINC000009067697 556244917 /nfs/dbraw/zinc/24/49/17/556244917.db2.gz OJZZYARVTZJEFS-URZJWIJPSA-N 0 0 430.526 4.086 40 0 IIABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2C(=O)OC(C)C)o1 ZINC000009198679 556256743 /nfs/dbraw/zinc/25/67/43/556256743.db2.gz FIDJZPTZNRAEFR-UHFFFAOYSA-N 0 0 441.509 4.253 40 0 IIABRN CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000013684323 556275200 /nfs/dbraw/zinc/27/52/00/556275200.db2.gz BUNZQQKEHBMEKY-UHFFFAOYSA-N 0 0 425.710 4.258 40 0 IIABRN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000013688536 556278063 /nfs/dbraw/zinc/27/80/63/556278063.db2.gz IBJXPENYKGEYHG-UHFFFAOYSA-N 0 0 436.961 4.167 40 0 IIABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013709115 556283539 /nfs/dbraw/zinc/28/35/39/556283539.db2.gz LTSAIOOOIUSIRJ-GOSISDBHSA-N 0 0 438.549 4.420 40 0 IIABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712228 556284839 /nfs/dbraw/zinc/28/48/39/556284839.db2.gz OSQRQWRMMWGYKS-MRXNPFEDSA-N 0 0 431.341 4.185 40 0 IIABRN CC[C@@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713234 556285396 /nfs/dbraw/zinc/28/53/96/556285396.db2.gz MECMNXDWSHSAHO-IBGZPJMESA-N 0 0 441.018 4.102 40 0 IIABRN CC[C@@H](C(=O)NCCSCc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716263 556287573 /nfs/dbraw/zinc/28/75/73/556287573.db2.gz FOEAMUHDNAQJNQ-QFIPXVFZSA-N 0 0 448.654 4.206 40 0 IIABRN CC[C@H](C(=O)NCCSCc1cccc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716437 556287574 /nfs/dbraw/zinc/28/75/74/556287574.db2.gz WAKZWUQHGSVKBC-JOCHJYFZSA-N 0 0 448.654 4.206 40 0 IIABRN CC[C@H](C(=O)NCCSC1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716474 556287590 /nfs/dbraw/zinc/28/75/90/556287590.db2.gz OXMRCAMKOJNBMZ-HXUWFJFHSA-N 0 0 426.648 4.030 40 0 IIABRN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3S(C)(=O)=O)cc2c1 ZINC000009640455 556304214 /nfs/dbraw/zinc/30/42/14/556304214.db2.gz GJBUDIJUNQLLTJ-KRWDZBQOSA-N 0 0 435.958 4.459 40 0 IIABRN COc1ccc(-c2nc3c4ccccc4nc(SCC(=O)Nc4nccs4)n3n2)cc1 ZINC000010157698 556327518 /nfs/dbraw/zinc/32/75/18/556327518.db2.gz NURRWFXYUJRYTA-UHFFFAOYSA-N 0 0 448.533 4.140 40 0 IIABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000010330364 556332204 /nfs/dbraw/zinc/33/22/04/556332204.db2.gz NMIACUBEHAVMRC-UHFFFAOYSA-N 0 0 429.369 4.164 40 0 IIABRN CC(C)(C)SCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010333864 556332585 /nfs/dbraw/zinc/33/25/85/556332585.db2.gz RPBPCTUUZMZHAK-UHFFFAOYSA-N 0 0 438.590 4.053 40 0 IIABRN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692583 556337531 /nfs/dbraw/zinc/33/75/31/556337531.db2.gz MTGGRDGIPOZKRQ-UHFFFAOYSA-N 0 0 447.428 4.374 40 0 IIABRN CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccccc1Cl ZINC000014068071 556359968 /nfs/dbraw/zinc/35/99/68/556359968.db2.gz KPHVJHHQZUCOFX-UHFFFAOYSA-N 0 0 432.933 4.366 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2cc(C)ccc2C)n1C ZINC000014117203 556371199 /nfs/dbraw/zinc/37/11/99/556371199.db2.gz JLXKFMWVJXWJEI-UHFFFAOYSA-N 0 0 446.960 4.404 40 0 IIABRN Cc1nccn1Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cc1 ZINC000012088040 556401015 /nfs/dbraw/zinc/40/10/15/556401015.db2.gz YTUGZVYHFGGCNQ-QFIPXVFZSA-N 0 0 425.536 4.390 40 0 IIABRN COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc(C(=O)OC)c1 ZINC000014264269 556411208 /nfs/dbraw/zinc/41/12/08/556411208.db2.gz UXHVPVGCEITSRI-UHFFFAOYSA-N 0 0 442.855 4.140 40 0 IIABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)/C=C/c4ccco4)c3)o2)cc1 ZINC000039742920 556438151 /nfs/dbraw/zinc/43/81/51/556438151.db2.gz VHICLFMFUZOHTM-VAWYXSNFSA-N 0 0 430.420 4.242 40 0 IIABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014906251 556457988 /nfs/dbraw/zinc/45/79/88/556457988.db2.gz KAEGBNZCXINONB-UHFFFAOYSA-N 0 0 428.432 4.012 40 0 IIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1 ZINC000013226943 556499602 /nfs/dbraw/zinc/49/96/02/556499602.db2.gz XDVJLZMMRSUSGZ-ICSRJNTNSA-N 0 0 431.536 4.124 40 0 IIABRN Cc1ccc(F)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015078202 556499985 /nfs/dbraw/zinc/49/99/85/556499985.db2.gz HKGNAPGTMJUQQM-UHFFFAOYSA-N 0 0 445.343 4.480 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCCCCC1 ZINC000030753550 556503930 /nfs/dbraw/zinc/50/39/30/556503930.db2.gz KTWZCOMYOSJOOV-IBGZPJMESA-N 0 0 444.597 4.368 40 0 IIABRN CCOC(=O)[C@@H]1C(=N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000013410348 556505224 /nfs/dbraw/zinc/50/52/24/556505224.db2.gz TYKOLYCDCQTMSH-RDJZCZTQSA-N 0 0 442.265 4.236 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000030863882 556511665 /nfs/dbraw/zinc/51/16/65/556511665.db2.gz YBGBUGOLSFAZTH-DEOSSOPVSA-N 0 0 434.561 4.460 40 0 IIABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000030865070 556511991 /nfs/dbraw/zinc/51/19/91/556511991.db2.gz WRUHFMQGPBRAHZ-SFHVURJKSA-N 0 0 438.977 4.018 40 0 IIABRN Cc1nnc(SCC(=O)NCc2cc3cc(Cl)ccc3n2C)n1-c1ccc(F)cc1 ZINC000013568320 556520954 /nfs/dbraw/zinc/52/09/54/556520954.db2.gz UEWWGFKBAGVWHW-UHFFFAOYSA-N 0 0 443.935 4.268 40 0 IIABRN COc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC ZINC000013570920 556522161 /nfs/dbraw/zinc/52/21/61/556522161.db2.gz YYOMHAIEOIFJAS-UHFFFAOYSA-N 0 0 444.491 4.175 40 0 IIABRN CC[C@@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000031860841 556527150 /nfs/dbraw/zinc/52/71/50/556527150.db2.gz ICBSBTSRZHYVGZ-VVHBXYOFSA-N 0 0 441.524 4.414 40 0 IIABRN COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)Cn4ccc(C)n4)c32)c1 ZINC000036618927 556527235 /nfs/dbraw/zinc/52/72/35/556527235.db2.gz CDTYEPKMLTYOMP-HNNXBMFYSA-N 0 0 431.496 4.099 40 0 IIABRN COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)N[C@H](C)Cn4ccc(C)n4)c32)c1 ZINC000036618926 556527240 /nfs/dbraw/zinc/52/72/40/556527240.db2.gz CDTYEPKMLTYOMP-OAHLLOKOSA-N 0 0 431.496 4.099 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC ZINC000013581395 556527680 /nfs/dbraw/zinc/52/76/80/556527680.db2.gz LQGNKNJWBBQLST-UHFFFAOYSA-N 0 0 431.341 4.285 40 0 IIABRN CC(C)c1cc(I)ccc1NC(=O)COC(=O)c1ccc(F)cc1 ZINC000032124634 556533439 /nfs/dbraw/zinc/53/34/39/556533439.db2.gz NKTSZXKOGFYILM-UHFFFAOYSA-N 0 0 441.240 4.349 40 0 IIABRN O=C(COc1ccccc1Cl)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000032125295 556534566 /nfs/dbraw/zinc/53/45/66/556534566.db2.gz ICPXXZHSQGPSKN-UHFFFAOYSA-N 0 0 449.938 4.320 40 0 IIABRN COc1ccc(Br)cc1C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000032127672 556536625 /nfs/dbraw/zinc/53/66/25/556536625.db2.gz APVFYLBYUYXOJE-UHFFFAOYSA-N 0 0 448.342 4.156 40 0 IIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640436 556545114 /nfs/dbraw/zinc/54/51/14/556545114.db2.gz SFFYANZULNYHQA-MJGOQNOKSA-N 0 0 438.977 4.371 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccccc3Cl)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640471 556545115 /nfs/dbraw/zinc/54/51/15/556545115.db2.gz JDGJEYDALBBLHQ-IAGOWNOFSA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3ccccc3F)[C@@H]2C1 ZINC000032640813 556545441 /nfs/dbraw/zinc/54/54/41/556545441.db2.gz DXCSFFLYBDPVFP-DOTOQJQBSA-N 0 0 445.368 4.408 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3cccc(Cl)c3)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640999 556545750 /nfs/dbraw/zinc/54/57/50/556545750.db2.gz PGIVLAUBUUPBDS-IAGOWNOFSA-N 0 0 427.378 4.268 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013668488 556548945 /nfs/dbraw/zinc/54/89/45/556548945.db2.gz BODOXINFSNWVNE-GOSISDBHSA-N 0 0 436.533 4.223 40 0 IIABRN Cc1cc(C)cc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccccc2)c1 ZINC000013669557 556550450 /nfs/dbraw/zinc/55/04/50/556550450.db2.gz HKLHDGRNPOVRSZ-UHFFFAOYSA-N 0 0 434.561 4.478 40 0 IIABRN CCOC(=O)c1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C ZINC000013669926 556550741 /nfs/dbraw/zinc/55/07/41/556550741.db2.gz NSPTUYFUEIVVRV-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN Cc1ccc(CCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000013670288 556551321 /nfs/dbraw/zinc/55/13/21/556551321.db2.gz SLTBYLCFHFMPIW-HNNXBMFYSA-N 0 0 443.396 4.205 40 0 IIABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013671808 556552376 /nfs/dbraw/zinc/55/23/76/556552376.db2.gz IJJZCBKKNNZOHH-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN COc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1Br ZINC000013675534 556553951 /nfs/dbraw/zinc/55/39/51/556553951.db2.gz DNFWPMGUYULDJC-UHFFFAOYSA-N 0 0 442.375 4.156 40 0 IIABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1OC ZINC000013680007 556556439 /nfs/dbraw/zinc/55/64/39/556556439.db2.gz MUURDRVWPCCBGJ-UHFFFAOYSA-N 0 0 428.535 4.007 40 0 IIABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000013682987 556557903 /nfs/dbraw/zinc/55/79/03/556557903.db2.gz BNXAGWUYPGOKSF-GOSISDBHSA-N 0 0 449.016 4.284 40 0 IIABRN CCN(CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC)S(=O)(=O)c1ccccc1 ZINC000016162924 556586741 /nfs/dbraw/zinc/58/67/41/556586741.db2.gz ITJYLMLFLLMWMA-UHFFFAOYSA-N 0 0 435.549 4.464 40 0 IIABRN CN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016187715 556587698 /nfs/dbraw/zinc/58/76/98/556587698.db2.gz CHTSFAZTTWVAFG-UHFFFAOYSA-N 0 0 444.556 4.366 40 0 IIABRN COc1ccc2nc(NC(=S)NC(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1 ZINC000016269418 556596242 /nfs/dbraw/zinc/59/62/42/556596242.db2.gz PDRUJOOTEVHCCV-UHFFFAOYSA-N 0 0 435.958 4.467 40 0 IIABRN CC(C)(NC(=O)NCc1ccco1)c1cccc(C(C)(C)NC(=O)NCc2ccco2)c1 ZINC000016323382 556600815 /nfs/dbraw/zinc/60/08/15/556600815.db2.gz OPADCOZCWNQJPY-UHFFFAOYSA-N 0 0 438.528 4.342 40 0 IIABRN O=C1NC(c2cc(I)ccc2Cl)=N/C1=C/C=C/c1ccccc1 ZINC000016450866 556609488 /nfs/dbraw/zinc/60/94/88/556609488.db2.gz WOYZCOYXQVNZIS-LHQXNBGVSA-N 0 0 434.664 4.418 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016576329 556616129 /nfs/dbraw/zinc/61/61/29/556616129.db2.gz LDTMVHNOSDIKES-OAQYLSRUSA-N 0 0 436.577 4.015 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016576353 556616163 /nfs/dbraw/zinc/61/61/63/556616163.db2.gz XGKQKBADBDKODZ-IBGZPJMESA-N 0 0 438.549 4.004 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016576354 556616233 /nfs/dbraw/zinc/61/62/33/556616233.db2.gz XGKQKBADBDKODZ-LJQANCHMSA-N 0 0 438.549 4.004 40 0 IIABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C)cc1 ZINC000038756707 556618321 /nfs/dbraw/zinc/61/83/21/556618321.db2.gz KTICDBUURDPDHU-RPWUZVMVSA-N 0 0 442.625 4.237 40 0 IIABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000038772947 556619388 /nfs/dbraw/zinc/61/93/88/556619388.db2.gz OHDFFBKJBLUFOK-STQMWFEESA-N 0 0 445.368 4.034 40 0 IIABRN Cc1ccccc1NC(=O)COc1c(Br)cc(C=O)cc1Br ZINC000317847479 556621669 /nfs/dbraw/zinc/62/16/69/556621669.db2.gz SOVGBRZEXIVGOA-UHFFFAOYSA-N 0 0 427.092 4.350 40 0 IIABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 ZINC000016681584 556624102 /nfs/dbraw/zinc/62/41/02/556624102.db2.gz DBKVYVOZVLDAJA-UHFFFAOYSA-N 0 0 437.396 4.262 40 0 IIABRN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000016681927 556624181 /nfs/dbraw/zinc/62/41/81/556624181.db2.gz RQISGFFTVRUQFE-UHFFFAOYSA-N 0 0 443.525 4.010 40 0 IIABRN C[C@@]1(O)CCN(C(=O)NC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289903 556624703 /nfs/dbraw/zinc/62/47/03/556624703.db2.gz MJMXKMHFJZXFJU-AWRGLXIESA-N 0 0 441.597 4.087 40 0 biogenic,in-vitro IIABRN CCc1cccc(C)c1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038857004 556625600 /nfs/dbraw/zinc/62/56/00/556625600.db2.gz XKFXHTBXGRGRJO-HXUWFJFHSA-N 0 0 430.570 4.021 40 0 IIABRN CC(C)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038856767 556625817 /nfs/dbraw/zinc/62/58/17/556625817.db2.gz DPPYQXONIPQSRW-NRFANRHFSA-N 0 0 430.570 4.273 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(F)cc1 ZINC000039963916 556630696 /nfs/dbraw/zinc/63/06/96/556630696.db2.gz YJFSGLOSSBLVHX-UHFFFAOYSA-N 0 0 425.851 4.291 40 0 IIABRN COc1ccccc1NC(=O)C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000039964035 556631032 /nfs/dbraw/zinc/63/10/32/556631032.db2.gz LEFVWACNHSJDNG-QFIPXVFZSA-N 0 0 440.503 4.204 40 0 IIABRN Cc1ccc(C)c(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000039964164 556631374 /nfs/dbraw/zinc/63/13/74/556631374.db2.gz PPHROMOIVDKWAR-JOCHJYFZSA-N 0 0 425.492 4.165 40 0 IIABRN CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000039985927 556632419 /nfs/dbraw/zinc/63/24/19/556632419.db2.gz XLGGNJBIEOHUHQ-UHFFFAOYSA-N 0 0 438.977 4.341 40 0 IIABRN CCCCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000039986212 556632719 /nfs/dbraw/zinc/63/27/19/556632719.db2.gz OPZLIUWPHLTRIL-UHFFFAOYSA-N 0 0 432.586 4.386 40 0 IIABRN CCc1ccc(NC(=O)c2nnc3c(-c4ccc(OC)cc4)c(COC)nn3c2C)cc1 ZINC000040372581 556635100 /nfs/dbraw/zinc/63/51/00/556635100.db2.gz FSHDYLIBOAABES-UHFFFAOYSA-N 0 0 431.496 4.069 40 0 IIABRN COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2N)c1 ZINC000016755947 556639096 /nfs/dbraw/zinc/63/90/96/556639096.db2.gz DTETUHFYSVWPMH-UHFFFAOYSA-N 0 0 431.521 4.065 40 0 IIABRN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1OC(C)C ZINC000013914441 556662055 /nfs/dbraw/zinc/66/20/55/556662055.db2.gz SQTWPEXWBUUBOS-FQEVSTJZSA-N 0 0 429.517 4.053 40 0 IIABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000044838706 556668162 /nfs/dbraw/zinc/66/81/62/556668162.db2.gz UTAPMDFBBWFFGY-UHFFFAOYSA-N 0 0 432.611 4.288 40 0 IIABRN COc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000044849542 556670226 /nfs/dbraw/zinc/67/02/26/556670226.db2.gz WOYWOGFHINNIPN-SFHVURJKSA-N 0 0 438.549 4.152 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000044849434 556670272 /nfs/dbraw/zinc/67/02/72/556670272.db2.gz UTFVJWSOYHGBMS-LJQANCHMSA-N 0 0 438.549 4.076 40 0 IIABRN COc1ccc([C@H]2S/C(=C/c3ccc(O)cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219249 556673733 /nfs/dbraw/zinc/67/37/33/556673733.db2.gz USNKAGHCIDPJNQ-WNRWPCNTSA-N 0 0 446.528 4.290 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044901338 556678057 /nfs/dbraw/zinc/67/80/57/556678057.db2.gz YXMJOHTXDXKEKF-UHFFFAOYSA-N 0 0 444.896 4.180 40 0 IIABRN CCOc1ccccc1CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000044920070 556682202 /nfs/dbraw/zinc/68/22/02/556682202.db2.gz NPMLELDXHJWJGV-UHFFFAOYSA-N 0 0 431.374 4.376 40 0 IIABRN CCOc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)ccc1O ZINC000226644357 556685090 /nfs/dbraw/zinc/68/50/90/556685090.db2.gz BIQPNMNSQIGZGK-BFMBIBTESA-N 0 0 425.525 4.308 40 0 IIABRN O=C(Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1)c1cccc(Cl)c1 ZINC000408761276 556687812 /nfs/dbraw/zinc/68/78/12/556687812.db2.gz DBXCZFRSEPCYBJ-UDWIEESQSA-N 0 0 432.888 4.330 40 0 IIABRN CCc1nc2ccccc2n1C[C@@H](O)COc1cc(OC)ccc1C(=O)c1ccccc1 ZINC000000781081 556693828 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LEZRTLUTULRFBD-UHFFFAOYSA-N 0 0 446.477 4.043 40 0 IIABRN COc1ccccc1-c1cccc(CC2(C(=O)NCCCn3cccn3)CCOCC2)c1 ZINC000257320209 556704167 /nfs/dbraw/zinc/70/41/67/556704167.db2.gz VVTSWXWRIVVEFN-UHFFFAOYSA-N 0 0 433.552 4.105 40 0 IIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c(C)c1 ZINC000019132673 556704673 /nfs/dbraw/zinc/70/46/73/556704673.db2.gz RSIYNAVQBOGHOF-INIZCTEOSA-N 0 0 438.553 4.096 40 0 IIABRN COc1ccccc1N1CCN(C(=O)C(C)C)[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257326859 556705143 /nfs/dbraw/zinc/70/51/43/556705143.db2.gz WYXSGARXGDLRSD-XMMPIXPASA-N 0 0 443.547 4.200 40 0 IIABRN O=C(CN1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)O2)N(c1ccccc1)c1ccccc1 ZINC000257327325 556705153 /nfs/dbraw/zinc/70/51/53/556705153.db2.gz XAYICRCPLIABAC-MHZLTWQESA-N 0 0 441.531 4.448 40 0 IIABRN O=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257338739 556706675 /nfs/dbraw/zinc/70/66/75/556706675.db2.gz YYUFNTXGLOOFGC-UNMCSNQZSA-N 0 0 434.458 4.094 40 0 IIABRN C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1-c1ccncc1 ZINC000257225163 556708153 /nfs/dbraw/zinc/70/81/53/556708153.db2.gz FFCSNDYOFRIUCW-MHECFPHRSA-N 0 0 447.966 4.150 40 0 IIABRN COc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccc(C)cc3)C2)cc1 ZINC000019212862 556710522 /nfs/dbraw/zinc/71/05/22/556710522.db2.gz CVVQMMSNNFWPOU-DEOSSOPVSA-N 0 0 442.559 4.030 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)c2ccc(C)nc2)on1 ZINC000019214777 556711247 /nfs/dbraw/zinc/71/12/47/556711247.db2.gz IYHAZZZONZOECE-UHFFFAOYSA-N 0 0 442.523 4.052 40 0 IIABRN COc1ccc(CC(=O)N2CCC(Cc3cccc(-c4cccs4)c3)(C(N)=O)CC2)cc1 ZINC000257273330 556713673 /nfs/dbraw/zinc/71/36/73/556713673.db2.gz NGDFBILVXHFLTH-UHFFFAOYSA-N 0 0 448.588 4.303 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccccc1OC(F)F ZINC000257275019 556714146 /nfs/dbraw/zinc/71/41/46/556714146.db2.gz NNPSBUDEPUKHJR-URXFXBBRSA-N 0 0 446.494 4.067 40 0 IIABRN Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1ccc(F)cc1 ZINC000019220077 556714555 /nfs/dbraw/zinc/71/45/55/556714555.db2.gz AJKDESQDWOAVJB-FTJBHMTQSA-N 0 0 433.527 4.479 40 0 IIABRN Fc1ccccc1OCCc1cc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)[nH]n1 ZINC000257279362 556714594 /nfs/dbraw/zinc/71/45/94/556714594.db2.gz OGGDNYJJJVIASL-VWLOTQADSA-N 0 0 432.499 4.292 40 0 IIABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CCCn4cncn4)C3)c(-c3ccncc3)c2c1 ZINC000019220222 556714754 /nfs/dbraw/zinc/71/47/54/556714754.db2.gz MEGGSMWKSCYBES-HXUWFJFHSA-N 0 0 428.540 4.316 40 0 IIABRN COc1ccccc1-c1cccc(CC2(C(=O)NCCCCn3ccnc3)CCOCC2)c1 ZINC000257288760 556715993 /nfs/dbraw/zinc/71/59/93/556715993.db2.gz PVNDWQNGFVBZIL-UHFFFAOYSA-N 0 0 447.579 4.495 40 0 IIABRN Cc1cccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C(C)C)n2)c1 ZINC000019234828 556719443 /nfs/dbraw/zinc/71/94/43/556719443.db2.gz HPYISDLSCPBLPX-QFIPXVFZSA-N 0 0 428.536 4.326 40 0 IIABRN COc1ccc(CC(=O)N2CC[C@@](Cc3ccccc3-c3cccc(C)c3)(C(N)=O)C2)cc1 ZINC000019235479 556719893 /nfs/dbraw/zinc/71/98/93/556719893.db2.gz 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Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c2c1 ZINC000000891724 556739892 /nfs/dbraw/zinc/73/98/92/556739892.db2.gz FSTAGVYKAKRQTP-DEOSSOPVSA-N 0 0 440.551 4.480 40 0 IIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1 ZINC000000894311 556740493 /nfs/dbraw/zinc/74/04/93/556740493.db2.gz SZUNJWYTGCKTEK-UHFFFAOYSA-N 0 0 447.358 4.196 40 0 IIABRN COc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 ZINC000000904290 556743045 /nfs/dbraw/zinc/74/30/45/556743045.db2.gz SYTHCCKDBJLPDN-UHFFFAOYSA-N 0 0 435.484 4.208 40 0 IIABRN O=C(CSc1nnc2c3cc(F)ccc3[nH]c2n1)Nc1ccc(Br)cc1 ZINC000000907460 556744277 /nfs/dbraw/zinc/74/42/77/556744277.db2.gz LYNIHCRWCMACOU-UHFFFAOYSA-N 0 0 432.278 4.139 40 0 IIABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C[C@H]2CCCO2)cc1Cl ZINC000000907284 556744291 /nfs/dbraw/zinc/74/42/91/556744291.db2.gz ZHQSCNKBTTYMNB-QGZVFWFLSA-N 0 0 443.960 4.212 40 0 IIABRN Cc1cccc(OCc2nnc(SCC(=O)N3CCCCC3)n2Cc2ccccc2)c1 ZINC000000916282 556746839 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Cc1ccc(C)c(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000408925854 556891860 /nfs/dbraw/zinc/89/18/60/556891860.db2.gz RCFMMJXUMFEWDF-UHFFFAOYSA-N 0 0 434.627 4.147 40 0 IIABRN COc1ccc(CCC(=O)N2CCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)CC2)cc1 ZINC000019752668 556896539 /nfs/dbraw/zinc/89/65/39/556896539.db2.gz ZJSNQUNKPOPZTA-UHFFFAOYSA-N 0 0 448.611 4.295 40 0 IIABRN Cc1nc(C2CCN(C(=O)c3cccnc3)CC2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000019753026 556896726 /nfs/dbraw/zinc/89/67/26/556896726.db2.gz DWMNQOMGAYBBJS-UHFFFAOYSA-N 0 0 445.542 4.292 40 0 IIABRN Cc1n[nH]cc1C(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)CCC2 ZINC000019753056 556896935 /nfs/dbraw/zinc/89/69/35/556896935.db2.gz BVPFSEXWYFZWTA-QFIPXVFZSA-N 0 0 448.546 4.276 40 0 IIABRN Cc1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(Br)o3)C2=O)cc1 ZINC000408950122 556897999 /nfs/dbraw/zinc/89/79/99/556897999.db2.gz DMRJNGSJCCMXMI-QPEQYQDCSA-N 0 0 440.091 4.206 40 0 IIABRN CCOc1ccc(CCC(=O)N2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1 ZINC000019756923 556901125 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Cc1noc(C)c1C(=O)N1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 ZINC000072336016 556909064 /nfs/dbraw/zinc/90/90/64/556909064.db2.gz NZRSTCGWSWEBRB-UHFFFAOYSA-N 0 0 437.544 4.452 40 0 IIABRN COc1cccc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccccn3)CC2)c1 ZINC000072337685 556910651 /nfs/dbraw/zinc/91/06/51/556910651.db2.gz XCPIEWLHOWMCEX-UHFFFAOYSA-N 0 0 431.540 4.387 40 0 IIABRN Cc1cc(C(=O)N2CCC[C@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)C)N4)C2)on1 ZINC000072337809 556910728 /nfs/dbraw/zinc/91/07/28/556910728.db2.gz WTTIDRFQCZJYME-VBQJREDUSA-N 0 0 425.455 4.143 40 0 IIABRN O=C(CCC1CCCC1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 ZINC000072338418 556911064 /nfs/dbraw/zinc/91/10/64/556911064.db2.gz ACBJIACIPSMFOH-JOCHJYFZSA-N 0 0 449.599 4.052 40 0 IIABRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(OC)c(CO)c1)[C@H]3c1cccnc1 ZINC000072341998 556914379 /nfs/dbraw/zinc/91/43/79/556914379.db2.gz WYGUBJIOLMQQLJ-SANMLTNESA-N 0 0 429.520 4.220 40 0 IIABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000072346032 556917271 /nfs/dbraw/zinc/91/72/71/556917271.db2.gz XBOAQXFYTXODNZ-HNNXBMFYSA-N 0 0 427.430 4.159 40 0 IIABRN Cc1cc2nc([C@H]3CCCCN3C(=O)[C@H](C)n3ncc4ccccc4c3=O)[nH]c2cc1C ZINC000072346802 556917967 /nfs/dbraw/zinc/91/79/67/556917967.db2.gz HWAXCMBRLXSGOD-HTAPYJJXSA-N 0 0 429.524 4.204 40 0 IIABRN Cc1cc2nc([C@H]3CCCCN3C(=O)[C@@H](C)n3ncc4ccccc4c3=O)[nH]c2cc1C ZINC000072346800 556918060 /nfs/dbraw/zinc/91/80/60/556918060.db2.gz HWAXCMBRLXSGOD-VGOFRKELSA-N 0 0 429.524 4.204 40 0 IIABRN CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)c4ccc5c(c4)nc(C)n5C)C3)c(=O)c12 ZINC000072347741 556918972 /nfs/dbraw/zinc/91/89/72/556918972.db2.gz RFCIPJOHBGMRHV-KRWDZBQOSA-N 0 0 449.580 4.001 40 0 IIABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)c(OC)c1 ZINC000019816901 556919711 /nfs/dbraw/zinc/91/97/11/556919711.db2.gz NFXISGSOLGSYEX-INIZCTEOSA-N 0 0 446.532 4.347 40 0 IIABRN O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350418 556920713 /nfs/dbraw/zinc/92/07/13/556920713.db2.gz JQLUBRQNNIEYBM-OAHLLOKOSA-N 0 0 436.459 4.059 40 0 IIABRN CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3ccc(F)cc3)nn2c1C ZINC000072351273 556920717 /nfs/dbraw/zinc/92/07/17/556920717.db2.gz OTMUFAIHMKLQCX-QHCPKHFHSA-N 0 0 437.563 4.281 40 0 IIABRN Cc1cccc(CN2C(=O)[C@@H](CC(=O)NCCc3ccccc3)n3c4ccccc4nc32)c1 ZINC000019819457 556922554 /nfs/dbraw/zinc/92/25/54/556922554.db2.gz VMWCXEZGXTWQET-XMMPIXPASA-N 0 0 438.531 4.182 40 0 IIABRN CCc1ncc(CN2CC[C@@H](c3ncc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)C2)cn1 ZINC000072351971 556922798 /nfs/dbraw/zinc/92/27/98/556922798.db2.gz OFDZOHVUGCVZSF-QGZVFWFLSA-N 0 0 436.947 4.033 40 0 IIABRN O=C(Oc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c32)cc1)c1ccccc1 ZINC000019819836 556923460 /nfs/dbraw/zinc/92/34/60/556923460.db2.gz SOKIDRKBSXEHJB-UHFFFAOYSA-N 0 0 426.476 4.195 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(O)c1 ZINC000019820204 556923661 /nfs/dbraw/zinc/92/36/61/556923661.db2.gz VRQLJMDXZPTHDS-GOTSBHOMSA-N 0 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ZINC000072353104 556925361 /nfs/dbraw/zinc/92/53/61/556925361.db2.gz AHBGRWRTHMKPRW-NRFANRHFSA-N 0 0 446.507 4.042 40 0 IIABRN Cc1nc(NC(=O)CN2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)sc1C ZINC000072353318 556926268 /nfs/dbraw/zinc/92/62/68/556926268.db2.gz AOLQKZNLDKNJQJ-GOSISDBHSA-N 0 0 436.585 4.420 40 0 IIABRN COc1ccccc1S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353468 556926796 /nfs/dbraw/zinc/92/67/96/556926796.db2.gz IJPWGMVOSJXIDC-GOSISDBHSA-N 0 0 438.553 4.106 40 0 IIABRN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)N(C)C1=S ZINC000409035961 556928508 /nfs/dbraw/zinc/92/85/08/556928508.db2.gz RARNRBCCDKWCKI-PDGQHHTCSA-N 0 0 431.355 4.448 40 0 IIABRN COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 ZINC000072354010 556928682 /nfs/dbraw/zinc/92/86/82/556928682.db2.gz JGKOCYAMRCXXLF-HXUWFJFHSA-N 0 0 430.552 4.221 40 0 IIABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)CCc3c(C)nc(N)nc3C)C2)n1 ZINC000072354204 556929327 /nfs/dbraw/zinc/92/93/27/556929327.db2.gz YGVKAZJQDKLQOJ-HSZRJFAPSA-N 0 0 443.595 4.309 40 0 IIABRN CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1 ZINC000072354207 556929355 /nfs/dbraw/zinc/92/93/55/556929355.db2.gz DKLVQSDXCWJYLV-JOCHJYFZSA-N 0 0 438.597 4.074 40 0 IIABRN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860315 556932666 /nfs/dbraw/zinc/93/26/66/556932666.db2.gz WOSYYAFIQFSVEA-CQSZACIVSA-N 0 0 445.343 4.313 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860245 556932688 /nfs/dbraw/zinc/93/26/88/556932688.db2.gz ZLNNUYZFZMUCBB-MRXNPFEDSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860842 556933214 /nfs/dbraw/zinc/93/32/14/556933214.db2.gz JUELBLBLGQZSEW-MRXNPFEDSA-N 0 0 441.380 4.482 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@@H]2Cc2c3ccccc3sc2C(N)=O)cc1C ZINC000072370457 556935036 /nfs/dbraw/zinc/93/50/36/556935036.db2.gz WZKHATMCDBKVTG-GOSISDBHSA-N 0 0 436.577 4.484 40 0 IIABRN CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2Cc2c3ccccc3sc2C(N)=O)s1 ZINC000072370597 556935364 /nfs/dbraw/zinc/93/53/64/556935364.db2.gz NHUXKLCTAHXFTH-CQSZACIVSA-N 0 0 442.610 4.434 40 0 IIABRN O=C(COc1ccccc1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371275 556938085 /nfs/dbraw/zinc/93/80/85/556938085.db2.gz CLVVCLYXMSVSDO-KRWDZBQOSA-N 0 0 425.916 4.080 40 0 IIABRN O=C(c1ccc2ncccc2c1)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371451 556938650 /nfs/dbraw/zinc/93/86/50/556938650.db2.gz IPBJWEZDXZTRCB-SFHVURJKSA-N 0 0 448.473 4.487 40 0 IIABRN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)n[nH]3)C2)o1 ZINC000072371538 556939458 /nfs/dbraw/zinc/93/94/58/556939458.db2.gz GIUILFDRCCXIPD-OAHLLOKOSA-N 0 0 448.445 4.285 40 0 IIABRN O=C(COc1ccc(F)cc1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371698 556940513 /nfs/dbraw/zinc/94/05/13/556940513.db2.gz KWCDRRKCXVLMMD-INIZCTEOSA-N 0 0 443.906 4.219 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2cccc(C)c2)cc1 ZINC000409064208 556940970 /nfs/dbraw/zinc/94/09/70/556940970.db2.gz OIZDTGDAHBSHOK-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN Cc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409072841 556946216 /nfs/dbraw/zinc/94/62/16/556946216.db2.gz SQMDMAHDRGFCLI-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN Cc1nc(Cn2ncc3ccccc3c2=O)cc(N[C@@H](C)COc2ccc(Cl)cc2)n1 ZINC000072373303 556946279 /nfs/dbraw/zinc/94/62/79/556946279.db2.gz DWSYDYZXQZDXPI-HNNXBMFYSA-N 0 0 435.915 4.076 40 0 IIABRN Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(NCC(C)(C)c2ccc(F)cc2)n1 ZINC000072373315 556946356 /nfs/dbraw/zinc/94/63/56/556946356.db2.gz YPCOOOSYCFGYID-UHFFFAOYSA-N 0 0 431.515 4.380 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccccn2)nc2c1CCCN2CCc1ccccc1 ZINC000072373822 556946873 /nfs/dbraw/zinc/94/68/73/556946873.db2.gz OSWDEZIWVMJFMT-QHCPKHFHSA-N 0 0 427.552 4.153 40 0 IIABRN COc1cc(OC)c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1Br ZINC000409080857 556947401 /nfs/dbraw/zinc/94/74/01/556947401.db2.gz NWPGUGJUKOPGRY-GDNBJRDFSA-N 0 0 439.375 4.199 40 0 IIABRN CCCCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000019930310 556948027 /nfs/dbraw/zinc/94/80/27/556948027.db2.gz RUGJZMJMDGSRRH-UHFFFAOYSA-N 0 0 438.977 4.341 40 0 IIABRN Cc1nonc1C(=O)N1CC[C@@H](c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)C1 ZINC000072374771 556948894 /nfs/dbraw/zinc/94/88/94/556948894.db2.gz QZURCMRGAAYQJC-QGZVFWFLSA-N 0 0 430.430 4.321 40 0 IIABRN COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000409094284 556949842 /nfs/dbraw/zinc/94/98/42/556949842.db2.gz DFRWGHNKQPXLST-UHFFFAOYSA-N 0 0 430.961 4.208 40 0 IIABRN CCOc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019934403 556950465 /nfs/dbraw/zinc/95/04/65/556950465.db2.gz ZSIMESFBOMSDCV-UHFFFAOYSA-N 0 0 444.597 4.380 40 0 IIABRN COc1ccc([C@@H](CC(=O)Nc2ccccc2F)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935925 556951242 /nfs/dbraw/zinc/95/12/42/556951242.db2.gz QXAORRHMLMWGKV-JOCHJYFZSA-N 0 0 442.512 4.225 40 0 IIABRN Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3[nH]nc4c3CCCC4)n2)n1 ZINC000072375509 556951626 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ZINC000006197975 557149669 /nfs/dbraw/zinc/14/96/69/557149669.db2.gz KFBGSPYRDZFPJT-QHCPKHFHSA-N 0 0 434.588 4.404 40 0 IIABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)CC(C)C)cc2)CC1 ZINC000021579806 557153656 /nfs/dbraw/zinc/15/36/56/557153656.db2.gz SKRCDOZKMFSJGP-UHFFFAOYSA-N 0 0 429.948 4.296 40 0 IIABRN CC(C)OC(=O)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)cc1 ZINC000016575517 557155033 /nfs/dbraw/zinc/15/50/33/557155033.db2.gz AFFWQRHGHGZZFT-YDLSIGKMSA-N 0 0 431.488 4.142 40 0 IIABRN COC(=O)c1cccc(Br)c1-c1c(Br)cccc1C(=O)OC ZINC000095470397 557157150 /nfs/dbraw/zinc/15/71/50/557157150.db2.gz IJYXCFYJQXEAGV-UHFFFAOYSA-N 0 0 428.076 4.452 40 0 IIABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OC(F)F ZINC000106711263 557158642 /nfs/dbraw/zinc/15/86/42/557158642.db2.gz GOAKMTIYQCUKNJ-BOPFTXTBSA-N 0 0 448.447 4.362 40 0 IIABRN COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000106734725 557159882 /nfs/dbraw/zinc/15/98/82/557159882.db2.gz 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Cc1ccc(C(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)cc1F ZINC000096225405 557184327 /nfs/dbraw/zinc/18/43/27/557184327.db2.gz LVUVVFTUCDRMIA-JOCHJYFZSA-N 0 0 429.879 4.177 40 0 IIABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21 ZINC000096242335 557186244 /nfs/dbraw/zinc/18/62/44/557186244.db2.gz RQWAYSCQPOHZLB-GOSISDBHSA-N 0 0 446.638 4.216 40 0 IIABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096243131 557186967 /nfs/dbraw/zinc/18/69/67/557186967.db2.gz AXILZPFZCPJZKY-LJQANCHMSA-N 0 0 436.527 4.426 40 0 IIABRN COc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022275404 557189701 /nfs/dbraw/zinc/18/97/01/557189701.db2.gz UKIWUEIGMZLEAT-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN COc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022275980 557189826 /nfs/dbraw/zinc/18/98/26/557189826.db2.gz AXPCWWUITCNIII-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN COc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022275975 557189880 /nfs/dbraw/zinc/18/98/80/557189880.db2.gz PHFPYTYCSXBRBC-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN COc1cccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276471 557190361 /nfs/dbraw/zinc/19/03/61/557190361.db2.gz TYTKRDVHXPWIMT-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1 ZINC000009810473 557193058 /nfs/dbraw/zinc/19/30/58/557193058.db2.gz FIXIZVHOZDOVOE-UHFFFAOYSA-N 0 0 430.917 4.043 40 0 IIABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)C(C)(c2ccccc2)c2ccccc2)nc1 ZINC000585261718 557196331 /nfs/dbraw/zinc/19/63/31/557196331.db2.gz AWKVCRATOZNXIO-RUZDIDTESA-N 0 0 427.548 4.387 40 0 IIABRN CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)N1CCC(Cc2cccc3cccnc32)CC1 ZINC000585261735 557196381 /nfs/dbraw/zinc/19/63/81/557196381.db2.gz CQSWAGFDMUZJLL-SANMLTNESA-N 0 0 433.527 4.061 40 0 IIABRN O=C(NCCSCc1ccccc1F)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010112066 557204432 /nfs/dbraw/zinc/20/44/32/557204432.db2.gz AAPGVMSRMKSRTQ-UHFFFAOYSA-N 0 0 444.553 4.290 40 0 IIABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1c(C)cc(C)cc1Cl ZINC000010119984 557206359 /nfs/dbraw/zinc/20/63/59/557206359.db2.gz HNJWLOKYBJHHIA-UHFFFAOYSA-N 0 0 443.916 4.149 40 0 IIABRN Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128512 557207325 /nfs/dbraw/zinc/20/73/25/557207325.db2.gz XTKPMXISVGKXBN-OAQYLSRUSA-N 0 0 428.941 4.177 40 0 IIABRN Cc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128567 557207371 /nfs/dbraw/zinc/20/73/71/557207371.db2.gz KZOJJMRKBQTBBN-NRFANRHFSA-N 0 0 442.968 4.485 40 0 IIABRN COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000025540852 557213708 /nfs/dbraw/zinc/21/37/08/557213708.db2.gz LRLXUQCQYHLPOQ-FKIJXQQXSA-N 0 0 427.497 4.023 40 0 IIABRN COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1C ZINC000010314211 557215308 /nfs/dbraw/zinc/21/53/08/557215308.db2.gz CTEZPQWKILCRKF-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Br)c(C)c2)CC1 ZINC000218823429 557217582 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4.345 40 0 IIABRN O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)N1CCCc2ccccc21 ZINC000219164546 557229163 /nfs/dbraw/zinc/22/91/63/557229163.db2.gz OOQYOICWBGCOHJ-UHFFFAOYSA-N 0 0 438.936 4.495 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000219172304 557229462 /nfs/dbraw/zinc/22/94/62/557229462.db2.gz OERNCPRMFXKQKV-QFIPXVFZSA-N 0 0 432.586 4.145 40 0 IIABRN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(N3CCCC3=O)c(C)c1)CC(C)(C)O2 ZINC000219224494 557231774 /nfs/dbraw/zinc/23/17/74/557231774.db2.gz PBMWJGNVFWFXKP-IBGZPJMESA-N 0 0 428.554 4.011 40 0 IIABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585293332 557231848 /nfs/dbraw/zinc/23/18/48/557231848.db2.gz ZYBVLPTZLZELOL-SJFMBGHLSA-N 0 0 430.556 4.065 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)NCc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2n1 ZINC000585293943 557233789 /nfs/dbraw/zinc/23/37/89/557233789.db2.gz BWRSEHJKPLICAZ-UHFFFAOYSA-N 0 0 437.503 4.436 40 0 IIABRN CCOc1ccc(CCC(=O)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1OCC ZINC000219280171 557235139 /nfs/dbraw/zinc/23/51/39/557235139.db2.gz OEYRCBUDECNYOZ-FQEVSTJZSA-N 0 0 433.570 4.088 40 0 IIABRN CCOc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1OCC ZINC000219280614 557235456 /nfs/dbraw/zinc/23/54/56/557235456.db2.gz GXDCJPGEFFGVAL-UHFFFAOYSA-N 0 0 429.904 4.436 40 0 IIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000219353002 557238631 /nfs/dbraw/zinc/23/86/31/557238631.db2.gz LYGYSKVKCSFWOE-NRFANRHFSA-N 0 0 447.491 4.381 40 0 IIABRN COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000260591853 557242176 /nfs/dbraw/zinc/24/21/76/557242176.db2.gz MMAMHMLCNMJMGY-AZUAARDMSA-N 0 0 432.586 4.062 40 0 IIABRN O=C1C[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100155332 557244023 /nfs/dbraw/zinc/24/40/23/557244023.db2.gz WHBYBBACYOMMMZ-IBGZPJMESA-N 0 0 443.334 4.381 40 0 IIABRN CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000219423586 557244289 /nfs/dbraw/zinc/24/42/89/557244289.db2.gz 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/nfs/dbraw/zinc/36/49/87/557364987.db2.gz KNCXYHLVBDRAJW-UHFFFAOYSA-N 0 0 439.375 4.251 40 0 IIABRN CC(C)c1ccc(CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000222662489 557370195 /nfs/dbraw/zinc/37/01/95/557370195.db2.gz ZMKFECLZVYFBLQ-UHFFFAOYSA-N 0 0 434.577 4.244 40 0 IIABRN Cc1c(Cl)cccc1N(CCCC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O ZINC000222668208 557371132 /nfs/dbraw/zinc/37/11/32/557371132.db2.gz KPWZBAYWHQNDOK-UHFFFAOYSA-N 0 0 440.968 4.083 40 0 IIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)c1 ZINC000222688980 557374551 /nfs/dbraw/zinc/37/45/51/557374551.db2.gz DOEKIJBZLULKOL-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCc3ccccn3)CCCO2)cc1 ZINC000072345364 557376651 /nfs/dbraw/zinc/37/66/51/557376651.db2.gz JRDOAUZMEMWZEO-AREMUKBSSA-N 0 0 434.511 4.347 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(F)cccc1Cl ZINC000222729894 557380366 /nfs/dbraw/zinc/38/03/66/557380366.db2.gz DZUJYCSJTVVTDZ-NSHDSACASA-N 0 0 431.722 4.492 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000222731045 557380402 /nfs/dbraw/zinc/38/04/02/557380402.db2.gz AFHVSYKIOHCVBH-LBPRGKRZSA-N 0 0 429.731 4.189 40 0 IIABRN COc1ccc(OCCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222734513 557381197 /nfs/dbraw/zinc/38/11/97/557381197.db2.gz QYZNNEZXORFNNN-HXUWFJFHSA-N 0 0 440.584 4.495 40 0 IIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1OCC ZINC000013632254 557383087 /nfs/dbraw/zinc/38/30/87/557383087.db2.gz OMAQWSYTPYMXQV-CYBMUJFWSA-N 0 0 428.348 4.286 40 0 IIABRN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1OCC ZINC000013632256 557383459 /nfs/dbraw/zinc/38/34/59/557383459.db2.gz OMAQWSYTPYMXQV-ZDUSSCGKSA-N 0 0 428.348 4.286 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c(C)c1 ZINC000113971895 557384775 /nfs/dbraw/zinc/38/47/75/557384775.db2.gz QNQYQFONKREFGM-AZUAARDMSA-N 0 0 449.016 4.376 40 0 IIABRN CN(CCc1ccncc1)C(=O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 ZINC000072356301 557387733 /nfs/dbraw/zinc/38/77/33/557387733.db2.gz NDTSWWCECFSLNG-XMMPIXPASA-N 0 0 427.548 4.132 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1 ZINC000222802784 557388459 /nfs/dbraw/zinc/38/84/59/557388459.db2.gz CFPOMOHVKZVFHS-QFIPXVFZSA-N 0 0 428.598 4.260 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl ZINC000222806821 557388978 /nfs/dbraw/zinc/38/89/78/557388978.db2.gz MUORCPYXXAOSHJ-INIZCTEOSA-N 0 0 430.957 4.273 40 0 IIABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc21 ZINC000222832527 557391327 /nfs/dbraw/zinc/39/13/27/557391327.db2.gz UFNSKFYDASDBEB-UHFFFAOYSA-N 0 0 448.519 4.491 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccccc1 ZINC000222838484 557392072 /nfs/dbraw/zinc/39/20/72/557392072.db2.gz LRCUAIGQJDIFBR-XMMPIXPASA-N 0 0 448.588 4.173 40 0 IIABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)c(C)c1 ZINC000013879493 557392540 /nfs/dbraw/zinc/39/25/40/557392540.db2.gz FPUZEAQEXRJBTL-UHFFFAOYSA-N 0 0 439.566 4.351 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000222841135 557392666 /nfs/dbraw/zinc/39/26/66/557392666.db2.gz SGFWXSOLBBNUFC-VWLOTQADSA-N 0 0 430.548 4.014 40 0 IIABRN C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222847597 557393393 /nfs/dbraw/zinc/39/33/93/557393393.db2.gz OCSIFZPYJRXLOK-IERDGZPVSA-N 0 0 449.378 4.248 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1cccc2ccccc21 ZINC000222856273 557395037 /nfs/dbraw/zinc/39/50/37/557395037.db2.gz ZQFLWRVIJABRSN-UHFFFAOYSA-N 0 0 436.577 4.499 40 0 IIABRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 ZINC000013845064 557395207 /nfs/dbraw/zinc/39/52/07/557395207.db2.gz RLPBXHKJWIFWHK-UHFFFAOYSA-N 0 0 426.542 4.257 40 0 IIABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)NCCc1ccccc1 ZINC000013842807 557395249 /nfs/dbraw/zinc/39/52/49/557395249.db2.gz NBPJUYXGIJCTEY-UHFFFAOYSA-N 0 0 438.597 4.451 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000013992462 557400667 /nfs/dbraw/zinc/40/06/67/557400667.db2.gz ROEZLVAZNFJYKW-QGZVFWFLSA-N 0 0 440.521 4.210 40 0 IIABRN COc1ccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)c(OC)c1OC ZINC000013995304 557401706 /nfs/dbraw/zinc/40/17/06/557401706.db2.gz QJBSBHMKGSGTJD-SZNDQCEHSA-N 0 0 439.537 4.370 40 0 IIABRN Cc1cc(Cl)ccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222920069 557402879 /nfs/dbraw/zinc/40/28/79/557402879.db2.gz SQZIIHMMYLRHKU-INIZCTEOSA-N 0 0 434.989 4.171 40 0 IIABRN C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222924969 557403638 /nfs/dbraw/zinc/40/36/38/557403638.db2.gz NOYMXHLRKJGHJN-INIZCTEOSA-N 0 0 428.891 4.348 40 0 IIABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222930785 557404544 /nfs/dbraw/zinc/40/45/44/557404544.db2.gz YUBCDZBULVZFJY-HZPDHXFCSA-N 0 0 434.989 4.251 40 0 IIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc32)cc1 ZINC000222933595 557404616 /nfs/dbraw/zinc/40/46/16/557404616.db2.gz QQZSDJGEIZCSTE-UHFFFAOYSA-N 0 0 432.476 4.168 40 0 IIABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCC1 ZINC000222938965 557405815 /nfs/dbraw/zinc/40/58/15/557405815.db2.gz VDAOAWCQAGVGKS-SFHVURJKSA-N 0 0 426.582 4.149 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000222960195 557408530 /nfs/dbraw/zinc/40/85/30/557408530.db2.gz KDMYGYUBTNKKKY-MBSDFSHPSA-N 0 0 428.598 4.296 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222972098 557409862 /nfs/dbraw/zinc/40/98/62/557409862.db2.gz IWYFUCQFQUHHDW-LJQANCHMSA-N 0 0 443.547 4.134 40 0 IIABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000222983004 557411292 /nfs/dbraw/zinc/41/12/92/557411292.db2.gz LHVTTXDCSINYKS-IBGZPJMESA-N 0 0 440.609 4.477 40 0 IIABRN CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000222985055 557411633 /nfs/dbraw/zinc/41/16/33/557411633.db2.gz IWLLEZRQUMODSH-ROUUACIJSA-N 0 0 428.598 4.160 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccccc1 ZINC000222987432 557412478 /nfs/dbraw/zinc/41/24/78/557412478.db2.gz JKYNHNCJPIPXLM-INIZCTEOSA-N 0 0 449.414 4.485 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCCCNc2ccnc3cc(Cl)ccc32)cc1C ZINC000222997568 557413656 /nfs/dbraw/zinc/41/36/56/557413656.db2.gz VJGRPVSMKWMLLN-UHFFFAOYSA-N 0 0 433.961 4.376 40 0 IIABRN CCOc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)ccc1O ZINC000014000848 557417251 /nfs/dbraw/zinc/41/72/51/557417251.db2.gz ZYKOCOCYERVFEM-HNNXBMFYSA-N 0 0 428.286 4.213 40 0 IIABRN COc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc1OC ZINC000014000839 557417393 /nfs/dbraw/zinc/41/73/93/557417393.db2.gz NZGPPDSLTNEHAE-OAHLLOKOSA-N 0 0 428.286 4.126 40 0 IIABRN Cc1c([C@H]([C@H]2C(=O)CC(C)(C)C[C@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@@H]2O)c2ccccc2n1C ZINC000408820238 557421832 /nfs/dbraw/zinc/42/18/32/557421832.db2.gz URWHRGDLLYFZPX-YURMHSNLSA-N 0 0 439.596 4.303 40 0 IIABRN COc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223060235 557423471 /nfs/dbraw/zinc/42/34/71/557423471.db2.gz HVFJLHAJRWRIRT-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN COc1ccc([C@H]2N=C(NC(=O)c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 ZINC000014165359 557425337 /nfs/dbraw/zinc/42/53/37/557425337.db2.gz WLDILGPFIHHKQJ-FQEVSTJZSA-N 0 0 431.883 4.457 40 0 IIABRN C[C@@H]1Cc2cc(C(=O)NCc3ccccc3Cl)ccc2N1S(=O)(=O)c1ccccc1 ZINC000223070444 557425813 /nfs/dbraw/zinc/42/58/13/557425813.db2.gz YRXBUJYAMPHCTQ-MRXNPFEDSA-N 0 0 440.952 4.410 40 0 IIABRN Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)c1 ZINC000014154076 557425920 /nfs/dbraw/zinc/42/59/20/557425920.db2.gz FHJHHGQGMSLWIK-UHFFFAOYSA-N 0 0 429.929 4.083 40 0 IIABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223082036 557428209 /nfs/dbraw/zinc/42/82/09/557428209.db2.gz XYEMNRMQPORIKF-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN O=C(C(c1ccccc1)c1ccccc1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000223087010 557429227 /nfs/dbraw/zinc/42/92/27/557429227.db2.gz OTIDMEOZWOVHEO-UHFFFAOYSA-N 0 0 446.572 4.192 40 0 IIABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000014270589 557429833 /nfs/dbraw/zinc/42/98/33/557429833.db2.gz UHXYYTNQUUYTBO-UHFFFAOYSA-N 0 0 446.488 4.096 40 0 IIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(OC)cc2)cc1OC ZINC000014271211 557430529 /nfs/dbraw/zinc/43/05/29/557430529.db2.gz YREHBZDQMZAWEN-NTEUORMPSA-N 0 0 441.553 4.359 40 0 IIABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3ccccc3c2)CC1 ZINC000014271721 557431026 /nfs/dbraw/zinc/43/10/26/557431026.db2.gz XMSGIYYILNDZHY-UHFFFAOYSA-N 0 0 446.576 4.025 40 0 IIABRN CCOc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC)cc1OCC ZINC000223097267 557431049 /nfs/dbraw/zinc/43/10/49/557431049.db2.gz JFELZSNVAFWJOZ-JOCHJYFZSA-N 0 0 440.584 4.278 40 0 IIABRN C[C@H]1Cc2cc(Br)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O ZINC000223103379 557431520 /nfs/dbraw/zinc/43/15/20/557431520.db2.gz LSMYTJVXLXZSNL-NSHDSACASA-N 0 0 431.717 4.465 40 0 IIABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000014272985 557432611 /nfs/dbraw/zinc/43/26/11/557432611.db2.gz LZKCUAWAKFOLRX-UHFFFAOYSA-N 0 0 442.107 4.431 40 0 IIABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000014273342 557432995 /nfs/dbraw/zinc/43/29/95/557432995.db2.gz KOZDBWKJIJMKDN-SOZJPDODSA-N 0 0 449.370 4.395 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223115048 557433665 /nfs/dbraw/zinc/43/36/65/557433665.db2.gz QVNHJNZDAHRFJZ-SANMLTNESA-N 0 0 444.575 4.458 40 0 IIABRN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c(C)c1 ZINC000014291172 557434327 /nfs/dbraw/zinc/43/43/27/557434327.db2.gz WJGYNRIEYYVIDL-UHFFFAOYSA-N 0 0 443.975 4.279 40 0 IIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(Br)cc1 ZINC000014291301 557434335 /nfs/dbraw/zinc/43/43/35/557434335.db2.gz ZYAHGENWSGYUDA-UHFFFAOYSA-N 0 0 444.314 4.185 40 0 IIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223124839 557435274 /nfs/dbraw/zinc/43/52/74/557435274.db2.gz OPWJXVTUBRKDNX-HSZRJFAPSA-N 0 0 435.955 4.401 40 0 IIABRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc2c(c1)CCCC2 ZINC000223138802 557437852 /nfs/dbraw/zinc/43/78/52/557437852.db2.gz ZNUSJDMIHDOVOF-QHCPKHFHSA-N 0 0 438.593 4.294 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 ZINC000223142293 557438356 /nfs/dbraw/zinc/43/83/56/557438356.db2.gz IWLLCEBJMOMZRH-SJORKVTESA-N 0 0 447.373 4.160 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1 ZINC000223143867 557438465 /nfs/dbraw/zinc/43/84/65/557438465.db2.gz OZSFBRPVQJEUDD-IRXDYDNUSA-N 0 0 431.374 4.324 40 0 IIABRN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 ZINC000017479994 557442055 /nfs/dbraw/zinc/44/20/55/557442055.db2.gz NOMWWLSSMDFZHK-UHFFFAOYSA-N 0 0 447.771 4.116 40 0 IIABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000014410877 557444378 /nfs/dbraw/zinc/44/43/78/557444378.db2.gz VTTFSLIVTUKJSD-UHFFFAOYSA-N 0 0 436.867 4.452 40 0 IIABRN Cc1ccc(C)c(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)c1 ZINC000014412083 557444536 /nfs/dbraw/zinc/44/45/36/557444536.db2.gz OXZCOKAFAOCBOV-UHFFFAOYSA-N 0 0 430.476 4.416 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223199328 557445160 /nfs/dbraw/zinc/44/51/60/557445160.db2.gz OVZKWNYYDRXREN-LJQANCHMSA-N 0 0 440.943 4.405 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223199293 557445185 /nfs/dbraw/zinc/44/51/85/557445185.db2.gz OVZKWNYYDRXREN-IBGZPJMESA-N 0 0 440.943 4.405 40 0 IIABRN Cc1ccc(C)c(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 ZINC000223199160 557445245 /nfs/dbraw/zinc/44/52/45/557445245.db2.gz MVVZOXQRONGLOZ-IBGZPJMESA-N 0 0 428.598 4.216 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1F ZINC000223201213 557445431 /nfs/dbraw/zinc/44/54/31/557445431.db2.gz QRUJRDAVIRBUDE-HZPDHXFCSA-N 0 0 449.364 4.463 40 0 IIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223203414 557445815 /nfs/dbraw/zinc/44/58/15/557445815.db2.gz DJBYFQQPPMDYNS-DEOSSOPVSA-N 0 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ZINC000223269301 557453877 /nfs/dbraw/zinc/45/38/77/557453877.db2.gz PNTLQZRDFMYAJL-GOSISDBHSA-N 0 0 432.545 4.420 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223284403 557455803 /nfs/dbraw/zinc/45/58/03/557455803.db2.gz FMWVFSXUSLJRNK-GOSISDBHSA-N 0 0 432.586 4.079 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223288254 557456319 /nfs/dbraw/zinc/45/63/19/557456319.db2.gz GQGOQKYFPGXTIC-LJQANCHMSA-N 0 0 446.613 4.387 40 0 IIABRN COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 ZINC000223301286 557457004 /nfs/dbraw/zinc/45/70/04/557457004.db2.gz HUZRQBMJFPSTBG-JJEOQYAHSA-N 0 0 434.565 4.032 40 0 IIABRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O)Nc1ccc(F)cc1 ZINC000015049424 557457587 /nfs/dbraw/zinc/45/75/87/557457587.db2.gz JBTCPTIVYWXLDG-DHDCSXOGSA-N 0 0 435.274 4.263 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000223349711 557461132 /nfs/dbraw/zinc/46/11/32/557461132.db2.gz PAINFHBODIMTBA-UYRXBGFRSA-N 0 0 426.856 4.360 40 0 IIABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000223349733 557461162 /nfs/dbraw/zinc/46/11/62/557461162.db2.gz MYBFGDCNYGCIHC-VWLOTQADSA-N 0 0 444.531 4.458 40 0 IIABRN O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015564007 557462762 /nfs/dbraw/zinc/46/27/62/557462762.db2.gz IFDQXGRXMSLOOF-UHFFFAOYSA-N 0 0 430.476 4.157 40 0 IIABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3cc(C(C)C)c(OC)cc3C)ccc21 ZINC000223383072 557465332 /nfs/dbraw/zinc/46/53/32/557465332.db2.gz TUUMPTMNNQQMCA-KRWDZBQOSA-N 0 0 444.597 4.466 40 0 IIABRN COc1cccc(NC(=O)CSc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1 ZINC000223395680 557466552 /nfs/dbraw/zinc/46/65/52/557466552.db2.gz XHHRBHYUFAVTAD-UHFFFAOYSA-N 0 0 442.562 4.251 40 0 IIABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NC2CCCCC2)cc1 ZINC000223399199 557466865 /nfs/dbraw/zinc/46/68/65/557466865.db2.gz KLJHEXLQHNOXJL-UHFFFAOYSA-N 0 0 432.611 4.048 40 0 IIABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)c2cccc(C)c2)o1 ZINC000015936053 557467375 /nfs/dbraw/zinc/46/73/75/557467375.db2.gz JIYSEVBGDSYWEZ-QFIPXVFZSA-N 0 0 446.532 4.452 40 0 IIABRN CCc1ccc(OCC(=O)NC(=S)Nc2c(F)cc(F)cc2Br)cc1 ZINC000016161979 557471987 /nfs/dbraw/zinc/47/19/87/557471987.db2.gz HIZIIKWTSCFILX-UHFFFAOYSA-N 0 0 429.286 4.182 40 0 IIABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000016321463 557472281 /nfs/dbraw/zinc/47/22/81/557472281.db2.gz NZLNOUFHXBYZBI-UHFFFAOYSA-N 0 0 434.930 4.044 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 ZINC000223445054 557472794 /nfs/dbraw/zinc/47/27/94/557472794.db2.gz ALUFNSDZHRTKNX-VWLOTQADSA-N 0 0 432.539 4.453 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 ZINC000223452339 557473439 /nfs/dbraw/zinc/47/34/39/557473439.db2.gz HZWRLAGIFHAFPH-XMMPIXPASA-N 0 0 436.502 4.284 40 0 IIABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)sc2c1 ZINC000016575688 557474391 /nfs/dbraw/zinc/47/43/91/557474391.db2.gz WQQCZHATTCZIME-UHFFFAOYSA-N 0 0 428.539 4.169 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1C ZINC000223459972 557474655 /nfs/dbraw/zinc/47/46/55/557474655.db2.gz BIIPKTQVXKHUMC-IBGZPJMESA-N 0 0 446.588 4.170 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 ZINC000223462833 557474927 /nfs/dbraw/zinc/47/49/27/557474927.db2.gz ZMBBOTBKQJEFGD-LJQANCHMSA-N 0 0 428.598 4.469 40 0 IIABRN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccn2)cc1 ZINC000016789535 557475678 /nfs/dbraw/zinc/47/56/78/557475678.db2.gz QRYQBDSJSRQKPF-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223471552 557475834 /nfs/dbraw/zinc/47/58/34/557475834.db2.gz WQPATKFSTCLVEG-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN COc1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1NC(=O)c1cccs1 ZINC000017096492 557476656 /nfs/dbraw/zinc/47/66/56/557476656.db2.gz ZJUIIADBZLKTLH-UHFFFAOYSA-N 0 0 429.498 4.275 40 0 IIABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc(C)ccn1 ZINC000017096773 557477662 /nfs/dbraw/zinc/47/76/62/557477662.db2.gz FVLOHAKTKAPMQS-UHFFFAOYSA-N 0 0 430.327 4.441 40 0 IIABRN COc1ccccc1N(CCCC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O ZINC000223483946 557477889 /nfs/dbraw/zinc/47/78/89/557477889.db2.gz GAFVZZLBCPGFMW-IBGZPJMESA-N 0 0 432.586 4.044 40 0 IIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccnc1 ZINC000223488060 557478449 /nfs/dbraw/zinc/47/84/49/557478449.db2.gz MZSKQUYUWFBAAC-BJKOFHAPSA-N 0 0 440.576 4.452 40 0 IIABRN Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223508523 557480488 /nfs/dbraw/zinc/48/04/88/557480488.db2.gz UEOTYZNWURASQQ-DHIUTWEWSA-N 0 0 427.533 4.146 40 0 IIABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C(N)=O)C1 ZINC000017098575 557481394 /nfs/dbraw/zinc/48/13/94/557481394.db2.gz HJIGVYOFNUBBFN-LBPRGKRZSA-N 0 0 433.574 4.264 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccccn1 ZINC000223522199 557481928 /nfs/dbraw/zinc/48/19/28/557481928.db2.gz SEGLYVYLLIDAGD-DLBZAZTESA-N 0 0 431.384 4.473 40 0 IIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccnc1 ZINC000223526591 557482118 /nfs/dbraw/zinc/48/21/18/557482118.db2.gz HXEAEWWNBGAWJY-DNQXCXABSA-N 0 0 440.576 4.452 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCCOCC)c1ccccc1 ZINC000223552240 557485188 /nfs/dbraw/zinc/48/51/88/557485188.db2.gz FGFOVWYGJMALOO-DEOSSOPVSA-N 0 0 426.557 4.108 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223585959 557489088 /nfs/dbraw/zinc/48/90/88/557489088.db2.gz GLTMZTPSGYQWDX-NRFANRHFSA-N 0 0 446.975 4.450 40 0 IIABRN Cc1nc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1I ZINC000017103096 557491741 /nfs/dbraw/zinc/49/17/41/557491741.db2.gz SGIGSWLXTWQOFF-UHFFFAOYSA-N 0 0 439.322 4.245 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223614300 557491995 /nfs/dbraw/zinc/49/19/95/557491995.db2.gz NGJBXXKFWHKVHD-HSZRJFAPSA-N 0 0 440.584 4.413 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C ZINC000223630094 557494119 /nfs/dbraw/zinc/49/41/19/557494119.db2.gz MARWVGFCEOFMTC-OAQYLSRUSA-N 0 0 426.557 4.105 40 0 IIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000223631266 557494231 /nfs/dbraw/zinc/49/42/31/557494231.db2.gz OCLVIGYKAXCPHI-UHFFFAOYSA-N 0 0 432.716 4.316 40 0 IIABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000223646982 557496681 /nfs/dbraw/zinc/49/66/81/557496681.db2.gz GCDSIXXTRVQFFC-UHFFFAOYSA-N 0 0 432.354 4.457 40 0 IIABRN Cc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000223647981 557496739 /nfs/dbraw/zinc/49/67/39/557496739.db2.gz MNUAUVSIHMWSET-UHFFFAOYSA-N 0 0 426.325 4.314 40 0 IIABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3cccnc3)c2c1 ZINC000019220249 557497781 /nfs/dbraw/zinc/49/77/81/557497781.db2.gz QBMLGKPBXARUED-RZUBCFFCSA-N 0 0 446.595 4.354 40 0 IIABRN c1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccc4ncccc4c3)CC2)cc1 ZINC000019372960 557498893 /nfs/dbraw/zinc/49/88/93/557498893.db2.gz DVKWFKQGGRFKGK-RUZDIDTESA-N 0 0 439.567 4.248 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc31)CC2)c1cccc(C(F)(F)F)c1 ZINC000223663096 557499228 /nfs/dbraw/zinc/49/92/28/557499228.db2.gz WSRXLWAKIXSTAE-UHFFFAOYSA-N 0 0 448.466 4.362 40 0 IIABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c3c(cccc31)CC2)S(C)(=O)=O ZINC000223672439 557500251 /nfs/dbraw/zinc/50/02/51/557500251.db2.gz FYJNRAHYPMCGKR-UHFFFAOYSA-N 0 0 444.940 4.005 40 0 IIABRN C[C@H](CNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 ZINC000223692828 557502856 /nfs/dbraw/zinc/50/28/56/557502856.db2.gz TXXWNVGOHDIFEC-LJQANCHMSA-N 0 0 438.549 4.165 40 0 IIABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 ZINC000019645562 557504801 /nfs/dbraw/zinc/50/48/01/557504801.db2.gz KNSCKIBPKPXZFD-LFYBBSHMSA-N 0 0 446.985 4.089 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223715261 557505331 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446.613 4.167 40 0 IIABRN c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000020121171 557515433 /nfs/dbraw/zinc/51/54/33/557515433.db2.gz OUCNYPUDOZMBHV-QFIPXVFZSA-N 0 0 445.596 4.310 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(c2cccc(C)c2C)CC1 ZINC000020140076 557515716 /nfs/dbraw/zinc/51/57/16/557515716.db2.gz YQQBQARGPFPEEU-DEOSSOPVSA-N 0 0 448.615 4.355 40 0 IIABRN COc1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223814584 557516659 /nfs/dbraw/zinc/51/66/59/557516659.db2.gz YWAMXARQSIBCAY-QGZVFWFLSA-N 0 0 444.959 4.204 40 0 IIABRN O=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223832163 557518388 /nfs/dbraw/zinc/51/83/88/557518388.db2.gz RPGHILNMCPKZGD-PGMHBOJBSA-N 0 0 431.517 4.285 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000020237250 557519034 /nfs/dbraw/zinc/51/90/34/557519034.db2.gz KSCXMZTYELDSJF-UHFFFAOYSA-N 0 0 441.258 4.417 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)cc1C 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/nfs/dbraw/zinc/82/45/20/557824520.db2.gz RYTLRJQAGNNIDD-KRWDZBQOSA-N 0 0 441.578 4.244 40 0 IIABRN Nc1ccc2nc(Sc3nc(N4CCCCC4)nc(N4CCCCC4)n3)sc2c1 ZINC000059488322 557825670 /nfs/dbraw/zinc/82/56/70/557825670.db2.gz QQXGLRGZCVNMDK-UHFFFAOYSA-N 0 0 427.603 4.195 40 0 IIABRN C[C@H](Oc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1)C(=O)c1ccc(Cl)cc1 ZINC000245229543 557849848 /nfs/dbraw/zinc/84/98/48/557849848.db2.gz AMYKRQFRUSQWEQ-VXDMRMQNSA-N 0 0 439.895 4.126 40 0 IIABRN C[C@@H]1CCCCN1c1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccco2)n1 ZINC000260715132 557850349 /nfs/dbraw/zinc/85/03/49/557850349.db2.gz LZJNKTNLMJDSQH-DLBZAZTESA-N 0 0 428.606 4.171 40 0 IIABRN CC[C@H](NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000260741075 557852830 /nfs/dbraw/zinc/85/28/30/557852830.db2.gz FJIDQTYQUQFTTQ-SFTDATJTSA-N 0 0 432.586 4.124 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000260816686 557856950 /nfs/dbraw/zinc/85/69/50/557856950.db2.gz ZAQQGOYKYKSBBN-JXFKEZNVSA-N 0 0 448.560 4.179 40 0 IIABRN CCc1ccc(N(CC(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000260800735 557857426 /nfs/dbraw/zinc/85/74/26/557857426.db2.gz VWTAJEIFNJNCPP-NRFANRHFSA-N 0 0 444.597 4.214 40 0 IIABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1 ZINC000260800771 557857466 /nfs/dbraw/zinc/85/74/66/557857466.db2.gz WUIMFKVDGBOILW-VXKWHMMOSA-N 0 0 432.586 4.124 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 ZINC000260830881 557859351 /nfs/dbraw/zinc/85/93/51/557859351.db2.gz VCTUKUZFBRCQHI-LJQANCHMSA-N 0 0 434.561 4.340 40 0 IIABRN CCc1ccccc1N(CC(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)S(C)(=O)=O ZINC000260845759 557861979 /nfs/dbraw/zinc/86/19/79/557861979.db2.gz XVNZYASXTAPRPY-FQEVSTJZSA-N 0 0 444.597 4.214 40 0 IIABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)c1 ZINC000260850801 557862164 /nfs/dbraw/zinc/86/21/64/557862164.db2.gz QZPQAZNAGOEMOD-LJQANCHMSA-N 0 0 437.565 4.082 40 0 IIABRN CC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676070 560094603 /nfs/dbraw/zinc/09/46/03/560094603.db2.gz RGEBTPUHQBJGRA-FQEVSTJZSA-N 0 0 446.442 4.133 40 0 biogenic,in-vitro IIABRN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@H+](Cc4ccc(OCC(=O)[O-])cc4)C[C@@H]3C[C@@H]21 ZINC000585262327 568616455 /nfs/dbraw/zinc/61/64/55/568616455.db2.gz BRPDCKBXIVNZML-OPQSODGTSA-N 0 0 437.536 4.289 40 0 IIABRN Cc1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1I ZINC000017097193 568624175 /nfs/dbraw/zinc/62/41/75/568624175.db2.gz WFZBLBRIJAXXKO-UHFFFAOYSA-N 0 0 430.673 4.444 40 0 IIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223199169 568626664 /nfs/dbraw/zinc/62/66/64/568626664.db2.gz CUFRZTDNLDOPSS-DEOSSOPVSA-N 0 0 433.527 4.277 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](CC(C)C)c3ccccc3)C2)cc1 ZINC000260897388 568627605 /nfs/dbraw/zinc/62/76/05/568627605.db2.gz IKXPGXWFQLXJIM-GMAHTHKFSA-N 0 0 428.598 4.299 40 0 IIABRN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000260895429 568628250 /nfs/dbraw/zinc/62/82/50/568628250.db2.gz IJOFXXZSWQMZBM-MJGOQNOKSA-N 0 0 446.588 4.401 40 0 IIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1Cc1cccnc1 ZINC000260914892 568628497 /nfs/dbraw/zinc/62/84/97/568628497.db2.gz HUTGZLYOFMOKRC-AGILITTLSA-N 0 0 447.608 4.095 40 0 IIABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 ZINC000260922645 568629732 /nfs/dbraw/zinc/62/97/32/568629732.db2.gz QZDSKDHPLKNOIT-ZQMYSKGWSA-N 0 0 434.565 4.248 40 0 IIABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@H]2CCCO2)cc1 ZINC000260917900 568630145 /nfs/dbraw/zinc/63/01/45/568630145.db2.gz JRJAQNKMYDHSCM-AGILITTLSA-N 0 0 447.608 4.305 40 0 IIABRN CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000260931041 568630694 /nfs/dbraw/zinc/63/06/94/568630694.db2.gz LWJDGPAHVMEULV-XXBNENTESA-N 0 0 446.613 4.433 40 0 IIABRN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC000257202136 568665995 /nfs/dbraw/zinc/66/59/95/568665995.db2.gz AKQFAALKVUYOJB-LPPUWEFUSA-N 0 0 448.567 4.187 40 0 IIABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257202098 568666148 /nfs/dbraw/zinc/66/61/48/568666148.db2.gz AKKOPLPSOYNSLH-SFHVURJKSA-N 0 0 444.470 4.009 40 0 IIABRN CN(CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000257207756 568668405 /nfs/dbraw/zinc/66/84/05/568668405.db2.gz BJCHEVLTMBCNCP-JOCHJYFZSA-N 0 0 425.479 4.339 40 0 IIABRN NC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000257208694 568669216 /nfs/dbraw/zinc/66/92/16/568669216.db2.gz BNGHNSCEBCRAPX-UHFFFAOYSA-N 0 0 435.351 4.099 40 0 IIABRN CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CCN(C(=O)Cn4cccn4)CC3)C[C@@H]21 ZINC000257213117 568671458 /nfs/dbraw/zinc/67/14/58/568671458.db2.gz CGFPALZFDOZFNI-GHTZIAJQSA-N 0 0 429.948 4.094 40 0 IIABRN COc1cccc(C(=O)N2CCC(Cc3ccnc(C)c3)CC2)c1OCc1ccccn1 ZINC000257221274 568674946 /nfs/dbraw/zinc/67/49/46/568674946.db2.gz DOGLQJNAKASAEG-UHFFFAOYSA-N 0 0 431.536 4.468 40 0 IIABRN Cc1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257222335 568675521 /nfs/dbraw/zinc/67/55/21/568675521.db2.gz DSWPNRHQCQXXKQ-LJQANCHMSA-N 0 0 438.547 4.310 40 0 IIABRN Cc1ccc2c(c1)OC1(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257223595 568675956 /nfs/dbraw/zinc/67/59/56/568675956.db2.gz DYBBMHVVAKTWMD-LADGPHEKSA-N 0 0 441.593 4.293 40 0 IIABRN CN(CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1)Cc1ccccn1 ZINC000257227532 568677833 /nfs/dbraw/zinc/67/78/33/568677833.db2.gz FPUHNOQPADVIME-QFIPXVFZSA-N 0 0 438.959 4.499 40 0 IIABRN CC(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3OCC(C)C)c2)C1 ZINC000257228823 568678472 /nfs/dbraw/zinc/67/84/72/568678472.db2.gz FVKBJAWGCQNQPW-NRFANRHFSA-N 0 0 433.556 4.454 40 0 IIABRN COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1Cn1ccnc1C ZINC000257230742 568679338 /nfs/dbraw/zinc/67/93/38/568679338.db2.gz GDSAJEJLQGHMBM-IRAZMCGKSA-N 0 0 437.584 4.267 40 0 IIABRN CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)CC1 ZINC000257234127 568681057 /nfs/dbraw/zinc/68/10/57/568681057.db2.gz GSGSWWNGWKVHEF-UHFFFAOYSA-N 0 0 441.575 4.279 40 0 IIABRN CCOCc1ccc(C(=O)N2CCC(c3cncc(Nc4nc(C)cc(C)n4)n3)CC2)cc1 ZINC000257238742 568683041 /nfs/dbraw/zinc/68/30/41/568683041.db2.gz HMJAKMUWVXPBCB-UHFFFAOYSA-N 0 0 446.555 4.183 40 0 IIABRN Cc1nc2ccc(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3-c3ccccc3)cc2s1 ZINC000257241319 568684305 /nfs/dbraw/zinc/68/43/05/568684305.db2.gz HXPZCRXUFVQBPC-QHCPKHFHSA-N 0 0 441.556 4.455 40 0 IIABRN COc1cc(C)ccc1CN1CCO[C@H](c2cc(CCOc3ccc(F)cc3)n(C)n2)C1 ZINC000257243542 568685591 /nfs/dbraw/zinc/68/55/91/568685591.db2.gz IHLNHEZMJAOZLI-VWLOTQADSA-N 0 0 439.531 4.071 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257245337 568686344 /nfs/dbraw/zinc/68/63/44/568686344.db2.gz IPAHWKGMTXQEIJ-IBGZPJMESA-N 0 0 438.547 4.310 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)on1 ZINC000257248076 568687492 /nfs/dbraw/zinc/68/74/92/568687492.db2.gz JBZLUPFHSAGCCH-OAQYLSRUSA-N 0 0 431.496 4.330 40 0 IIABRN CC(C)c1ccc(C(=O)NCc2cccc(-c3nn(C)cc3-c3ccncc3)c2)c(=O)[nH]1 ZINC000257254430 568690677 /nfs/dbraw/zinc/69/06/77/568690677.db2.gz KCZTXWPWSCZMOK-UHFFFAOYSA-N 0 0 427.508 4.303 40 0 IIABRN CN(CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1cccnc1 ZINC000257255082 568690927 /nfs/dbraw/zinc/69/09/27/568690927.db2.gz KGAYBOUTAPMVJE-FQEVSTJZSA-N 0 0 438.959 4.152 40 0 IIABRN CC(C)(C)C(=O)N1CCC([C@@]2(c3nccs3)CN(Cc3ccccc3)CCO2)CC1 ZINC000257261515 568693746 /nfs/dbraw/zinc/69/37/46/568693746.db2.gz LHRRBQQOLWQNLV-XMMPIXPASA-N 0 0 427.614 4.156 40 0 IIABRN CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(S(=O)(=O)Cc1ccc(F)cc1)CCO2 ZINC000257269248 568697159 /nfs/dbraw/zinc/69/71/59/568697159.db2.gz MPFALECSSPGXIS-HJOGWXRNSA-N 0 0 447.572 4.160 40 0 IIABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(C(C)C)n[nH]1)[C@H]2Cc1ccccc1 ZINC000257269826 568697488 /nfs/dbraw/zinc/69/74/88/568697488.db2.gz MROFLYGEPFPMDI-LSHRBJLDSA-N 0 0 434.584 4.148 40 0 IIABRN Cc1cc(Nc2cccc([C@H]3CN(C(=O)C(C)(C)c4ccc(C)cc4)CCO3)n2)nn1C ZINC000257273789 568699407 /nfs/dbraw/zinc/69/94/07/568699407.db2.gz NIEJFNXMCNARKW-OAQYLSRUSA-N 0 0 433.556 4.053 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257275163 568699851 /nfs/dbraw/zinc/69/98/51/568699851.db2.gz NOEDWGICGLAVCD-IBGZPJMESA-N 0 0 440.503 4.148 40 0 IIABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 ZINC000257277977 568701204 /nfs/dbraw/zinc/70/12/04/568701204.db2.gz OAFVEIFKULSYIV-HSZRJFAPSA-N 0 0 437.975 4.064 40 0 IIABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)n1 ZINC000257277978 568701361 /nfs/dbraw/zinc/70/13/61/568701361.db2.gz OAFVEIFKULSYIV-QHCPKHFHSA-N 0 0 437.975 4.064 40 0 IIABRN 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ZINC000257303924 568712948 /nfs/dbraw/zinc/71/29/48/568712948.db2.gz SJHXBRHFPQOLEX-QFIPXVFZSA-N 0 0 443.478 4.126 40 0 IIABRN COc1ccc(CNc2cc(-c3c[nH]nc3[C@H]3CCN(C(C)=O)C3)ccn2)cc1OC(C)C ZINC000257310728 568715680 /nfs/dbraw/zinc/71/56/80/568715680.db2.gz UGHDRUXQEQPXQB-FQEVSTJZSA-N 0 0 449.555 4.215 40 0 IIABRN COc1ccc(CNc2cc(-c3c[nH]nc3[C@@H]3CCN(C(C)=O)C3)ccn2)cc1OC(C)C ZINC000257310729 568715738 /nfs/dbraw/zinc/71/57/38/568715738.db2.gz UGHDRUXQEQPXQB-HXUWFJFHSA-N 0 0 449.555 4.215 40 0 IIABRN Cc1ccc(Oc2ncccc2C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)cn1 ZINC000257316660 568718360 /nfs/dbraw/zinc/71/83/60/568718360.db2.gz VGMHTQSEPMKEKJ-OAQYLSRUSA-N 0 0 444.535 4.392 40 0 IIABRN CNc1cc([C@@]2(C)CCCN(C(=O)c3cccnc3Nc3cccc(OC)c3)C2)nc(C)n1 ZINC000257316971 568718613 /nfs/dbraw/zinc/71/86/13/568718613.db2.gz VHTBROUDNCLJKD-VWLOTQADSA-N 0 0 446.555 4.168 40 0 IIABRN CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)c2cccnc2)CC1 ZINC000257320225 568719944 /nfs/dbraw/zinc/71/99/44/568719944.db2.gz 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/nfs/dbraw/zinc/21/75/57/569217557.db2.gz BZNCXRCBEREWBF-UHFFFAOYSA-N 0 0 449.580 4.438 40 0 IIABRN CCCn1c2nnc(SCC(=O)Nc3cccc(C)c3)n2c2ccc(Cl)cc2c1=O ZINC000033255053 569217656 /nfs/dbraw/zinc/21/76/56/569217656.db2.gz UKAWNMJNOMQEAN-UHFFFAOYSA-N 0 0 441.944 4.147 40 0 IIABRN CC(C)OCCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000006345552 569218592 /nfs/dbraw/zinc/21/85/92/569218592.db2.gz IJPVZKAOAWECCC-XMMPIXPASA-N 0 0 426.582 4.048 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)cc1C ZINC000009973683 569220209 /nfs/dbraw/zinc/22/02/09/569220209.db2.gz HMECOKGXPIKMGF-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN Cc1ccc(NC(SCc2ccccc2Cl)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973686 569220283 /nfs/dbraw/zinc/22/02/83/569220283.db2.gz UGSGMWHTBUBOEJ-UHFFFAOYSA-N 0 0 429.929 4.256 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3C)C2)cc1C ZINC000009974107 569220511 /nfs/dbraw/zinc/22/05/11/569220511.db2.gz UPNZERVFVAQSQZ-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 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569583061 /nfs/dbraw/zinc/58/30/61/569583061.db2.gz JWCZKQXKDMFXGO-IBGZPJMESA-N 0 0 442.361 4.782 40 0 IIABRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC)cc3s2)c1 ZINC000020412459 569583664 /nfs/dbraw/zinc/58/36/64/569583664.db2.gz RSLUNUBVXONHEB-UHFFFAOYSA-N 0 0 443.550 4.389 40 0 IIABRN c1cncc(-c2cc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)n2)c1 ZINC000328985800 569584315 /nfs/dbraw/zinc/58/43/15/569584315.db2.gz HVMPFMFWECMWQI-UHFFFAOYSA-N 0 0 430.556 4.863 40 0 IIABRN COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCc3cccnc3)C[C@H]2C(C)C)cc1 ZINC000030881280 291383196 /nfs/dbraw/zinc/38/31/96/291383196.db2.gz SDWAZSAXXQANGK-LSQMVHIFSA-N 0 0 449.595 4.381 40 0 biogenic,in-vitro IIABRN O=C(c1ccncc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cc4ccccc4s3)c12 ZINC000004237412 291386165 /nfs/dbraw/zinc/38/61/65/291386165.db2.gz RKJGAVAVJMABPD-QFBILLFUSA-N 0 0 427.529 4.385 40 0 biogenic,in-vitro IIABRN CCOCCCNC(=S)N(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000006197826 193891375 /nfs/dbraw/zinc/89/13/75/193891375.db2.gz NEALGIPSJJKBEV-UHFFFAOYSA-N 0 0 437.609 4.394 40 0 IIABRN CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC)cc1OCC ZINC000223231495 193955207 /nfs/dbraw/zinc/95/52/07/193955207.db2.gz LNMIMJPHLIFUNZ-NRFANRHFSA-N 0 0 444.547 4.109 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1C[C@@H]1CCCO1 ZINC000223320960 193966461 /nfs/dbraw/zinc/96/64/61/193966461.db2.gz RLLAUQXSAJIPPF-DQLDELGASA-N 0 0 439.972 4.072 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223269011 193959965 /nfs/dbraw/zinc/95/99/65/193959965.db2.gz NGJPBMBUUCSJIE-IBGZPJMESA-N 0 0 444.547 4.327 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000223273177 193960950 /nfs/dbraw/zinc/96/09/50/193960950.db2.gz PWRNPUDEACEZBV-XMMPIXPASA-N 0 0 434.536 4.201 40 0 IIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223275171 193961378 /nfs/dbraw/zinc/96/13/78/193961378.db2.gz HHKGYJYHXJWBPX-AREMUKBSSA-N 0 0 444.575 4.404 40 0 IIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccnc1 ZINC000223300167 193964397 /nfs/dbraw/zinc/96/43/97/193964397.db2.gz CVKJWKOEESEKHV-AJSBUHFISA-N 0 0 433.581 4.036 40 0 IIABRN Cc1cccc([C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000223332911 193967567 /nfs/dbraw/zinc/96/75/67/193967567.db2.gz GRCRWLNGQKQNLD-QHCPKHFHSA-N 0 0 442.968 4.175 40 0 IIABRN Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000408612420 193979371 /nfs/dbraw/zinc/97/93/71/193979371.db2.gz VWKKTAPCNHCZRY-HXUWFJFHSA-N 0 0 445.357 4.121 40 0 IIABRN Cc1cc(C)c2cc([C@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c2c1 ZINC000006193676 132276711 /nfs/dbraw/zinc/27/67/11/132276711.db2.gz FOMJPJSSURLUCZ-HSZRJFAPSA-N 0 0 442.567 4.429 40 0 IIABRN Cc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1C ZINC000010009319 132333864 /nfs/dbraw/zinc/33/38/64/132333864.db2.gz WTCIZERFCMXWJW-HSZRJFAPSA-N 0 0 436.533 4.040 40 0 IIABRN Cc1cccc(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn43)CC2)c1C ZINC000013085907 132344259 /nfs/dbraw/zinc/34/42/59/132344259.db2.gz UDZFGEIHMNEJMP-UHFFFAOYSA-N 0 0 426.524 4.263 40 0 IIABRN O=C(c1ccccc1F)N1CCN(c2ncc(-c3ccccn3)c(-c3cccs3)n2)CC1 ZINC000013266847 132346264 /nfs/dbraw/zinc/34/62/64/132346264.db2.gz HWUJLRNODZWRBT-UHFFFAOYSA-N 0 0 445.523 4.369 40 0 IIABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccccc3F)CC2)c1 ZINC000013503948 132347473 /nfs/dbraw/zinc/34/74/73/132347473.db2.gz LBPTUCGCWHAHTM-DEOSSOPVSA-N 0 0 434.563 4.456 40 0 IIABRN CC(C)(C)n1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000013561849 132349779 /nfs/dbraw/zinc/34/97/79/132349779.db2.gz MFYLJJVHEOPZHT-FQEVSTJZSA-N 0 0 444.505 4.359 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000012471545 518746927 /nfs/dbraw/zinc/74/69/27/518746927.db2.gz SQXIMDLHEZLBEE-FCHUYYIVSA-N 0 0 434.492 4.109 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccco1)N(Cc1ccc(Cl)cc1)C(=O)c1csnn1 ZINC000012872453 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440.550 4.463 40 0 IIABRN CC1CCN(C(=O)Cn2c3ccccc3nc2SCC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000012882477 520982802 /nfs/dbraw/zinc/98/28/02/520982802.db2.gz HIJDXWOFMUCOTN-KDURUIRLSA-N 0 0 442.629 4.176 40 0 IIABRN CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011866917 521260314 /nfs/dbraw/zinc/26/03/14/521260314.db2.gz CYAGVRAVQLXTFP-UDJSKEQPSA-N 0 0 441.568 4.365 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1csnn1)c1ccc(C)cc1 ZINC000012868552 521335367 /nfs/dbraw/zinc/33/53/67/521335367.db2.gz WBNKJFYUXBKIHZ-LJQANCHMSA-N 0 0 426.542 4.441 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869818 521336303 /nfs/dbraw/zinc/33/63/03/521336303.db2.gz XIUCWNGCNLNAQZ-LJQANCHMSA-N 0 0 426.517 4.370 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(C)cc1C ZINC000012869079 521336656 /nfs/dbraw/zinc/33/66/56/521336656.db2.gz NBDYHKXEZIQKHE-HXUWFJFHSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cc(C)ccc1C ZINC000012869129 521338869 /nfs/dbraw/zinc/33/88/69/521338869.db2.gz AKJVSDFNFDUGAU-HXUWFJFHSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 ZINC000035313115 521343915 /nfs/dbraw/zinc/34/39/15/521343915.db2.gz GZZFKBBYVZVKQJ-FQEVSTJZSA-N 0 0 440.544 4.366 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(C)cc1C ZINC000012869010 521345453 /nfs/dbraw/zinc/34/54/53/521345453.db2.gz LXXBHDXDWYQGOZ-FQEVSTJZSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000012867933 521345620 /nfs/dbraw/zinc/34/56/20/521345620.db2.gz CKBAJXSLOCEHGP-FQEVSTJZSA-N 0 0 438.553 4.240 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012870946 521346168 /nfs/dbraw/zinc/34/61/68/521346168.db2.gz OVEJGESDTOYMLX-SFHVURJKSA-N 0 0 443.960 4.279 40 0 IIABRN CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)C(C)(C)O2 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0 0 432.586 4.143 40 0 IIABRN CC[C@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1c(F)cccc1Cl ZINC000012471884 523909328 /nfs/dbraw/zinc/90/93/28/523909328.db2.gz HYRMQSLKXFHKHN-KPZWWZAWSA-N 0 0 438.956 4.371 40 0 IIABRN CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000012637405 523957075 /nfs/dbraw/zinc/95/70/75/523957075.db2.gz PDRARJCWVRHVKU-JOCHJYFZSA-N 0 0 449.580 4.333 40 0 IIABRN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c(F)c1 ZINC000036719525 524027431 /nfs/dbraw/zinc/02/74/31/524027431.db2.gz PFLPYMVRCNCHSB-UTKZUKDTSA-N 0 0 440.544 4.069 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 ZINC000022334799 524209022 /nfs/dbraw/zinc/20/90/22/524209022.db2.gz VCTJEAMAGKSMOQ-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 ZINC000022394415 524319410 /nfs/dbraw/zinc/31/94/10/524319410.db2.gz CQOSLIFIPNVTHV-UHFFFAOYSA-N 0 0 446.569 4.140 40 0 IIABRN COc1ccc(N(C(=O)CSc2nnc(-c3ccccc3)n2C)C(C)C)cc1OC ZINC000041124461 524336963 /nfs/dbraw/zinc/33/69/63/524336963.db2.gz VGQVMOFCNPPXTQ-UHFFFAOYSA-N 0 0 426.542 4.033 40 0 IIABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 ZINC000022231577 524424302 /nfs/dbraw/zinc/42/43/02/524424302.db2.gz ZYXAHHCRMGUTRL-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)[nH]c1C ZINC000225660593 524589737 /nfs/dbraw/zinc/58/97/37/524589737.db2.gz VJGUNDJVUKJGGU-GOTSBHOMSA-N 0 0 449.580 4.036 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)c1 ZINC000022536903 524692159 /nfs/dbraw/zinc/69/21/59/524692159.db2.gz MZDZVQNXMKWXBH-QGZVFWFLSA-N 0 0 442.512 4.191 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)c1 ZINC000022536906 524692533 /nfs/dbraw/zinc/69/25/33/524692533.db2.gz MZDZVQNXMKWXBH-KRWDZBQOSA-N 0 0 442.512 4.191 40 0 IIABRN COc1ccc(OC)c(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)c1 ZINC000012188328 524827085 /nfs/dbraw/zinc/82/70/85/524827085.db2.gz MXOCIFYHPJVHBC-UTKZUKDTSA-N 0 0 448.485 4.459 40 0 IIABRN C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020487557 524948476 /nfs/dbraw/zinc/94/84/76/524948476.db2.gz BPFYLZDJYOWLJH-INIZCTEOSA-N 0 0 430.476 4.038 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCC(C)C)cc3c2)cc1C ZINC000020447948 525005526 /nfs/dbraw/zinc/00/55/26/525005526.db2.gz VQKGRKOFWODDAK-UHFFFAOYSA-N 0 0 446.594 4.429 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022427901 525133917 /nfs/dbraw/zinc/13/39/17/525133917.db2.gz PKWWPBFTJNXTAM-LJQANCHMSA-N 0 0 438.549 4.076 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000022530740 525140840 /nfs/dbraw/zinc/14/08/40/525140840.db2.gz IODWASLJKRAWSD-OAHLLOKOSA-N 0 0 436.961 4.014 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000022398467 525174994 /nfs/dbraw/zinc/17/49/94/525174994.db2.gz PCPCZQHQPJXYCW-JOCHJYFZSA-N 0 0 446.613 4.488 40 0 IIABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000022062262 525201394 /nfs/dbraw/zinc/20/13/94/525201394.db2.gz APXSFGYGBRDJDH-INIZCTEOSA-N 0 0 447.000 4.494 40 0 IIABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(C)cc2)cc1 ZINC000012636867 525285247 /nfs/dbraw/zinc/28/52/47/525285247.db2.gz JNUKZAHXFCNIIG-HXUWFJFHSA-N 0 0 438.553 4.158 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022511975 525348018 /nfs/dbraw/zinc/34/80/18/525348018.db2.gz GYYPNWUVSQKRJY-AVRDEDQJSA-N 0 0 432.586 4.062 40 0 IIABRN COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@]23C)cc1 ZINC000036037782 525428395 /nfs/dbraw/zinc/42/83/95/525428395.db2.gz NMDGAVCPYORKSW-RQTOMXEWSA-N 0 0 432.451 4.276 40 0 IIABRN COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(Cl)c(OC)cc3Cl)c2c1 ZINC000041105570 525481309 /nfs/dbraw/zinc/48/13/09/525481309.db2.gz QTZOHKKKOIKTNF-UHFFFAOYSA-N 0 0 443.352 4.321 40 0 IIABRN Cc1cc2cc(C(F)(F)F)nc-2n(CC2(O)CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000012183295 525639229 /nfs/dbraw/zinc/63/92/29/525639229.db2.gz RKUCAHWMCAHIBI-UHFFFAOYSA-N 0 0 445.485 4.301 40 0 IIABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015791781 525645332 /nfs/dbraw/zinc/64/53/32/525645332.db2.gz DVBDWGXKEQSAIN-IXFSTUDKSA-N 0 0 428.598 4.181 40 0 IIABRN COc1ccc2cnc([C@H]3CCCN(C(=O)COc4ccc5c(c4)OCCO5)C3)cc2c1C ZINC000012187974 525655049 /nfs/dbraw/zinc/65/50/49/525655049.db2.gz LDEZCFNLLFFTJB-IBGZPJMESA-N 0 0 448.519 4.108 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2F)cc1 ZINC000012869837 525676636 /nfs/dbraw/zinc/67/66/36/525676636.db2.gz QBJZHJICMDXGQY-IBGZPJMESA-N 0 0 426.517 4.288 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCc2ccccc2C)C(=O)c2csnn2)o1 ZINC000012872656 525676660 /nfs/dbraw/zinc/67/66/60/525676660.db2.gz GUQZXCNFOMCUCI-FQEVSTJZSA-N 0 0 440.569 4.089 40 0 IIABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)c2csnn2)o1 ZINC000035292272 525678435 /nfs/dbraw/zinc/67/84/35/525678435.db2.gz PJBACPFHIIRVAH-QFIPXVFZSA-N 0 0 446.532 4.140 40 0 IIABRN COc1cccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nnc2-c2ccncc2)c1 ZINC000035311978 525747194 /nfs/dbraw/zinc/74/71/94/525747194.db2.gz VCJPNSUHDFCKSA-OXQOHEQNSA-N 0 0 437.569 4.125 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2cccnc2)c1 ZINC000035289145 525747226 /nfs/dbraw/zinc/74/72/26/525747226.db2.gz YWDBZYAQRIBGLY-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN Cc1ccc(-c2nn3c(nc(CNC(=O)Nc4ccc(Cl)cc4)cc3=O)s2)cc1 ZINC000041077109 525843006 /nfs/dbraw/zinc/84/30/06/525843006.db2.gz XNVORJVAWWWEIY-UHFFFAOYSA-N 0 0 425.901 4.102 40 0 IIABRN C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466312 525962924 /nfs/dbraw/zinc/96/29/24/525962924.db2.gz XQFVJXYKFNOAAJ-GDQGXXANSA-N 0 0 440.628 4.257 40 0 biogenic,in-vitro IIABRN COc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2CCc2ccccc2)c1 ZINC000012496924 526179804 /nfs/dbraw/zinc/17/98/04/526179804.db2.gz CIJCZNJGKHYRQG-UHFFFAOYSA-N 0 0 445.548 4.322 40 0 IIABRN COc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(OC)c2)c1 ZINC000035291634 526179867 /nfs/dbraw/zinc/17/98/67/526179867.db2.gz AYIMFNWJDRZNFG-UHFFFAOYSA-N 0 0 447.520 4.077 40 0 IIABRN Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)Nc1cccc(F)c1)c1nnnn12 ZINC000012493381 526218055 /nfs/dbraw/zinc/21/80/55/526218055.db2.gz FRWTYIIXRCYYGD-UHFFFAOYSA-N 0 0 441.470 4.354 40 0 IIABRN Cc1csc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(C)c2C)n1 ZINC000035289435 526387350 /nfs/dbraw/zinc/38/73/50/526387350.db2.gz BUSJLCITONMUPN-UHFFFAOYSA-N 0 0 436.566 4.442 40 0 IIABRN O=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000012472082 526673336 /nfs/dbraw/zinc/67/33/36/526673336.db2.gz RPLBQGAGVTUAEV-QFIPXVFZSA-N 0 0 446.507 4.382 40 0 IIABRN O=C(NCc1ccccc1Cl)c1ccc2c(=O)[nH]c3c(-c4ccc(F)cc4)nnn3c2c1 ZINC000021867520 526748519 /nfs/dbraw/zinc/74/85/19/526748519.db2.gz SJDGMCHEYASITF-UHFFFAOYSA-N 0 0 447.857 4.373 40 0 IIABRN O=C(c1cccs1)C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000033370578 526838908 /nfs/dbraw/zinc/83/89/08/526838908.db2.gz HROKOPSLEPNVPX-MYGLTJDJSA-N 0 0 444.487 4.286 40 0 IIABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)N(C(C)C)C(C)C)C3)c(=O)c2c1C ZINC000012184152 526889283 /nfs/dbraw/zinc/88/92/83/526889283.db2.gz GFGMGMPEPQFRDB-IBGZPJMESA-N 0 0 446.661 4.481 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000016428994 526965615 /nfs/dbraw/zinc/96/56/15/526965615.db2.gz CYQYZTWATRQZLW-UHFFFAOYSA-N 0 0 443.352 4.186 40 0 IIABRN Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)sc1C ZINC000012833757 526978142 /nfs/dbraw/zinc/97/81/42/526978142.db2.gz VQBPFWKZWKPRTB-SECBINFHSA-N 0 0 444.611 4.268 40 0 IIABRN Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)sc1C ZINC000012833612 526978382 /nfs/dbraw/zinc/97/83/82/526978382.db2.gz LHXKXMBEAYMDNV-UHFFFAOYSA-N 0 0 430.584 4.022 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2cc(Cl)c3c(c2)OCCCO3)ncc1C(=O)N(C)C ZINC000019765569 527073933 /nfs/dbraw/zinc/07/39/33/527073933.db2.gz KSROTOSAMCDVJV-LJQANCHMSA-N 0 0 444.963 4.029 40 0 IIABRN O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)Nc1nccs1 ZINC000035314652 527090278 /nfs/dbraw/zinc/09/02/78/527090278.db2.gz NHWPFMWVZGDBJG-UHFFFAOYSA-N 0 0 438.513 4.059 40 0 IIABRN O=C(Nc1ccc2c(c1)OCO2)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020488913 527290304 /nfs/dbraw/zinc/29/03/04/527290304.db2.gz IMRGYKDFZFYBJV-UHFFFAOYSA-N 0 0 430.869 4.122 40 0 IIABRN Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1-c1ccc(F)cc1 ZINC000016757188 527436807 /nfs/dbraw/zinc/43/68/07/527436807.db2.gz MPTWKPFJZDBGQB-UHFFFAOYSA-N 0 0 436.443 4.267 40 0 IIABRN Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CCCOc2ccc3c(c2)OCO3)C1 ZINC000012088079 527463508 /nfs/dbraw/zinc/46/35/08/527463508.db2.gz CPZKLGHKBLLBIL-GOSISDBHSA-N 0 0 433.508 4.111 40 0 IIABRN O=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000016636650 527466249 /nfs/dbraw/zinc/46/62/49/527466249.db2.gz KQYALKKCZRLUNV-UHFFFAOYSA-N 0 0 434.561 4.381 40 0 IIABRN Cc1cccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000000642086 555518724 /nfs/dbraw/zinc/51/87/24/555518724.db2.gz RLVJAIWCJVPRTJ-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000793889 555557730 /nfs/dbraw/zinc/55/77/30/555557730.db2.gz XKRJGFGRQVOXFS-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000001018492 555602999 /nfs/dbraw/zinc/60/29/99/555602999.db2.gz LGYJLCQLFOTYPR-UHFFFAOYSA-N 0 0 432.904 4.309 40 0 IIABRN C=COC(=O)N[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000001588903 555704467 /nfs/dbraw/zinc/70/44/67/555704467.db2.gz QNPQOSKMAOKAKA-MRXNPFEDSA-N 0 0 443.521 4.319 40 0 IIABRN O=C(OC[C@H]1OC=C(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000001723437 555710894 /nfs/dbraw/zinc/71/08/94/555710894.db2.gz ZLNZVIVTTXJSKI-FYYLOGMGSA-N 0 0 444.439 4.166 40 0 IIABRN COc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1Cl ZINC000408542863 555790660 /nfs/dbraw/zinc/79/06/60/555790660.db2.gz AYQCNBBXCXDHTH-UHFFFAOYSA-N 0 0 437.732 4.060 40 0 IIABRN Cc1cccc(C)c1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 ZINC000408543440 555790748 /nfs/dbraw/zinc/79/07/48/555790748.db2.gz PBIDRADISVBWLB-UHFFFAOYSA-N 0 0 433.331 4.287 40 0 IIABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408550911 555852860 /nfs/dbraw/zinc/85/28/60/555852860.db2.gz GFVJFNOENVHNIV-UHFFFAOYSA-N 0 0 444.475 4.191 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1F ZINC000408552980 555881418 /nfs/dbraw/zinc/88/14/18/555881418.db2.gz TWPRVMRPLJUIJD-UHFFFAOYSA-N 0 0 448.903 4.219 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)cc1 ZINC000408553925 555890883 /nfs/dbraw/zinc/89/08/83/555890883.db2.gz ABLWHVGHJDGTNV-MRXNPFEDSA-N 0 0 436.961 4.087 40 0 IIABRN CCCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OCC)cc3)C2)cc1 ZINC000408555821 555892640 /nfs/dbraw/zinc/89/26/40/555892640.db2.gz GQDGOWQGZXXMNZ-HXUWFJFHSA-N 0 0 444.597 4.467 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)cc1C ZINC000408556289 555893570 /nfs/dbraw/zinc/89/35/70/555893570.db2.gz HLLYZVNNOBRUGM-INIZCTEOSA-N 0 0 436.961 4.087 40 0 IIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1NC(C)=O ZINC000408558618 555898047 /nfs/dbraw/zinc/89/80/47/555898047.db2.gz JUYSFBGJSDFWLK-UHFFFAOYSA-N 0 0 440.521 4.424 40 0 IIABRN COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1NC(=O)c1ccccc1C ZINC000408558697 555898100 /nfs/dbraw/zinc/89/81/00/555898100.db2.gz SOMWMOVUVOSMQS-UHFFFAOYSA-N 0 0 428.554 4.425 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000408558877 555898430 /nfs/dbraw/zinc/89/84/30/555898430.db2.gz KMHUKDQMZLFZHN-INIZCTEOSA-N 0 0 436.961 4.005 40 0 IIABRN COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1NC(=O)c1ccc(C)cc1 ZINC000408559083 555898664 /nfs/dbraw/zinc/89/86/64/555898664.db2.gz VICLRVGTDSVPGK-UHFFFAOYSA-N 0 0 428.554 4.425 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408559878 555899570 /nfs/dbraw/zinc/89/95/70/555899570.db2.gz NEOCIJWBDVVAPE-QGZVFWFLSA-N 0 0 440.521 4.101 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CCCCC1 ZINC000408560706 555902022 /nfs/dbraw/zinc/90/20/22/555902022.db2.gz PNBGLLUUGBMYAR-UHFFFAOYSA-N 0 0 443.352 4.186 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000408561254 555903246 /nfs/dbraw/zinc/90/32/46/555903246.db2.gz RNSIBTBMIAQEBQ-UHFFFAOYSA-N 0 0 436.961 4.005 40 0 IIABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000408561944 555904728 /nfs/dbraw/zinc/90/47/28/555904728.db2.gz LWZAUIXYNOXJFX-UHFFFAOYSA-N 0 0 430.570 4.311 40 0 IIABRN O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000408562329 555905373 /nfs/dbraw/zinc/90/53/73/555905373.db2.gz YXRZPRIRMLKZMM-UHFFFAOYSA-N 0 0 430.476 4.157 40 0 IIABRN O=C(Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1)N1CCCC1 ZINC000408562708 555906011 /nfs/dbraw/zinc/90/60/11/555906011.db2.gz ROEPDXURVAGJLF-UHFFFAOYSA-N 0 0 428.341 4.100 40 0 IIABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCc2ccccc2)cc1OC ZINC000408566679 555910098 /nfs/dbraw/zinc/91/00/98/555910098.db2.gz OIYFAJSJDHZYDQ-UHFFFAOYSA-N 0 0 432.520 4.248 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000408588454 555940490 /nfs/dbraw/zinc/94/04/90/555940490.db2.gz GIBJCEQMZWZFJH-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408589213 555944801 /nfs/dbraw/zinc/94/48/01/555944801.db2.gz DZTUWTSBNGDKNP-OAQYLSRUSA-N 0 0 428.941 4.177 40 0 IIABRN CCCCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000408590985 555950909 /nfs/dbraw/zinc/95/09/09/555950909.db2.gz HPYJWJGHMUFLHO-OAHLLOKOSA-N 0 0 438.977 4.387 40 0 IIABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408598192 555956602 /nfs/dbraw/zinc/95/66/02/555956602.db2.gz XTPBCWINCDAJEF-ZDUSSCGKSA-N 0 0 445.368 4.334 40 0 IIABRN CC(C)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br ZINC000408600027 555958543 /nfs/dbraw/zinc/95/85/43/555958543.db2.gz RICUOKAEISWBTG-ZDLGFXPLSA-N 0 0 429.339 4.254 40 0 IIABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408594804 555961090 /nfs/dbraw/zinc/96/10/90/555961090.db2.gz QTVQLNNYRHBRON-SECBINFHSA-N 0 0 441.258 4.318 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(CC)cccc2CC)cc1Cl ZINC000408596817 555964560 /nfs/dbraw/zinc/96/45/60/555964560.db2.gz SIJDIZSUZUYPAO-CQSZACIVSA-N 0 0 438.977 4.169 40 0 IIABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000408597530 555965329 /nfs/dbraw/zinc/96/53/29/555965329.db2.gz XHGSIWYGPFIACV-CYBMUJFWSA-N 0 0 446.878 4.398 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000408605187 555965727 /nfs/dbraw/zinc/96/57/27/555965727.db2.gz MWZAXNRAVUNCTN-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)Nc1ccccc1F ZINC000408601346 555969772 /nfs/dbraw/zinc/96/97/72/555969772.db2.gz FUGBCRAUEPXXMA-UHFFFAOYSA-N 0 0 434.876 4.297 40 0 IIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408602294 555971393 /nfs/dbraw/zinc/97/13/93/555971393.db2.gz CSTMWRBIIKCENE-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408611960 555976997 /nfs/dbraw/zinc/97/69/97/555976997.db2.gz XOCUXQSXLDVESO-UHFFFAOYSA-N 0 0 446.912 4.167 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(Cl)c1 ZINC000408619738 555988706 /nfs/dbraw/zinc/98/87/06/555988706.db2.gz ITRFXWAOQRPUTO-UHFFFAOYSA-N 0 0 445.368 4.398 40 0 IIABRN COc1ccccc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408622938 555991722 /nfs/dbraw/zinc/99/17/22/555991722.db2.gz WZLNOXVAWFZVRW-UHFFFAOYSA-N 0 0 444.597 4.428 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000408630138 556000842 /nfs/dbraw/zinc/00/08/42/556000842.db2.gz OFKVVQIBRLBGFQ-GOSISDBHSA-N 0 0 446.569 4.054 40 0 IIABRN CC(C)Oc1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000408630189 556001052 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CCOc1ccccc1N(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010285553 556329473 /nfs/dbraw/zinc/32/94/73/556329473.db2.gz CVLGPCRNKDGSDW-UHFFFAOYSA-N 0 0 438.549 4.252 40 0 IIABRN CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 ZINC000010335295 556332736 /nfs/dbraw/zinc/33/27/36/556332736.db2.gz GIBPVTBEGSTJKK-UHFFFAOYSA-N 0 0 428.476 4.408 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1Br ZINC000010544168 556336909 /nfs/dbraw/zinc/33/69/09/556336909.db2.gz JRAPVZDFXFTPCH-HNNXBMFYSA-N 0 0 426.332 4.038 40 0 IIABRN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693336 556337588 /nfs/dbraw/zinc/33/75/88/556337588.db2.gz IYYFKHGQAFSZMW-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC(=O)OC ZINC000214621942 556337791 /nfs/dbraw/zinc/33/77/91/556337791.db2.gz AROQZJFOENGXQR-UDWIEESQSA-N 0 0 441.505 4.182 40 0 IIABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1Br ZINC000214631296 556337823 /nfs/dbraw/zinc/33/78/23/556337823.db2.gz WTMDYARQHXYCGW-MHWRWJLKSA-N 0 0 447.310 4.133 40 0 IIABRN O=C(Nc1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010755961 556338036 /nfs/dbraw/zinc/33/80/36/556338036.db2.gz ITVSBVKKYGEYFA-QGZVFWFLSA-N 0 0 426.563 4.039 40 0 IIABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013994760 556353406 /nfs/dbraw/zinc/35/34/06/556353406.db2.gz XLVDPKMCDOUGKO-OAQYLSRUSA-N 0 0 430.570 4.356 40 0 IIABRN Cc1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)c2ccc3c(c2)OCO3)n1 ZINC000012089187 556401780 /nfs/dbraw/zinc/40/17/80/556401780.db2.gz DTZWNNUWCLHEDS-UHFFFAOYSA-N 0 0 438.487 4.418 40 0 IIABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000014429930 556416422 /nfs/dbraw/zinc/41/64/22/556416422.db2.gz YQUWEULLEWKMKT-UHFFFAOYSA-N 0 0 432.851 4.396 40 0 IIABRN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039767661 556436994 /nfs/dbraw/zinc/43/69/94/556436994.db2.gz VGVGDLRNXZYBKB-MRXNPFEDSA-N 0 0 434.939 4.283 40 0 IIABRN COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039767660 556437123 /nfs/dbraw/zinc/43/71/23/556437123.db2.gz VGVGDLRNXZYBKB-INIZCTEOSA-N 0 0 434.939 4.283 40 0 IIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(Br)c(C)c1 ZINC000028189189 556444646 /nfs/dbraw/zinc/44/46/46/556444646.db2.gz BWHDYWIOZZFACT-UHFFFAOYSA-N 0 0 436.331 4.297 40 0 IIABRN Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000014803931 556446987 /nfs/dbraw/zinc/44/69/87/556446987.db2.gz XFZSZSRLVGURCL-UHFFFAOYSA-N 0 0 444.553 4.457 40 0 IIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1 ZINC000013226941 556499741 /nfs/dbraw/zinc/49/97/41/556499741.db2.gz XDVJLZMMRSUSGZ-AZUAARDMSA-N 0 0 431.536 4.124 40 0 IIABRN C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000030751220 556502886 /nfs/dbraw/zinc/50/28/86/556502886.db2.gz PMVIEOPVRAVOND-KRWDZBQOSA-N 0 0 442.512 4.089 40 0 IIABRN CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000030853175 556509367 /nfs/dbraw/zinc/50/93/67/556509367.db2.gz QEPLIYWCCWZTPL-QHCPKHFHSA-N 0 0 428.598 4.132 40 0 IIABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC)c1ccc(C)cc1 ZINC000030856951 556510468 /nfs/dbraw/zinc/51/04/68/556510468.db2.gz VHZYTURYIGRZDC-OAQYLSRUSA-N 0 0 430.570 4.059 40 0 IIABRN CCc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000030868961 556513113 /nfs/dbraw/zinc/51/31/13/556513113.db2.gz GGXZFYYWTUMNDY-RUZDIDTESA-N 0 0 436.577 4.229 40 0 IIABRN Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000030871922 556513708 /nfs/dbraw/zinc/51/37/08/556513708.db2.gz ZEIRNCCRGFDHCT-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN COC(=O)C(C(=O)OC)[C@H](c1ccc(Br)cc1)[C@H](C)C(=O)c1ccc(C)cc1 ZINC000015318956 556519901 /nfs/dbraw/zinc/51/99/01/556519901.db2.gz GEFAUBHMESLLAT-KSSFIOAISA-N 0 0 447.325 4.322 40 0 IIABRN Cc1ccccc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000015398091 556524207 /nfs/dbraw/zinc/52/42/07/556524207.db2.gz YOEKDSCRTREJSF-QHCPKHFHSA-N 0 0 434.561 4.384 40 0 IIABRN COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1C ZINC000031980816 556528154 /nfs/dbraw/zinc/52/81/54/556528154.db2.gz YNRXQIRACWLZJX-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000015511527 556531895 /nfs/dbraw/zinc/53/18/95/556531895.db2.gz LFXFCKVFGLZUCC-UHFFFAOYSA-N 0 0 448.850 4.275 40 0 IIABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)c1 ZINC000032125161 556534240 /nfs/dbraw/zinc/53/42/40/556534240.db2.gz ZVRBQUFBVVIJOY-UHFFFAOYSA-N 0 0 431.583 4.030 40 0 IIABRN Cc1cc(I)cnc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000032125433 556534905 /nfs/dbraw/zinc/53/49/05/556534905.db2.gz JMKHXFROZZYPKV-UHFFFAOYSA-N 0 0 447.301 4.275 40 0 IIABRN CCOc1cccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1 ZINC000032126674 556535840 /nfs/dbraw/zinc/53/58/40/556535840.db2.gz MGIYGLRJDOFKGO-UHFFFAOYSA-N 0 0 439.493 4.066 40 0 IIABRN O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015588404 556536187 /nfs/dbraw/zinc/53/61/87/556536187.db2.gz FIXRBKDBUPDPKM-UHFFFAOYSA-N 0 0 430.476 4.157 40 0 IIABRN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)c1 ZINC000032127727 556536642 /nfs/dbraw/zinc/53/66/42/556536642.db2.gz CEZCNEABSHJOMS-UHFFFAOYSA-N 0 0 433.489 4.103 40 0 IIABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000015624107 556538932 /nfs/dbraw/zinc/53/89/32/556538932.db2.gz CZPJOVATBRUTBG-UHFFFAOYSA-N 0 0 432.851 4.396 40 0 IIABRN COCc1nn2c(ncc3c2C[C@@H](c2ccccc2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013638432 556541947 /nfs/dbraw/zinc/54/19/47/556541947.db2.gz YXZZHTVGGRYUPZ-GOSISDBHSA-N 0 0 443.503 4.473 40 0 IIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640402 556544863 /nfs/dbraw/zinc/54/48/63/556544863.db2.gz LPZWDFXLGXHJRP-OALUTQOASA-N 0 0 438.977 4.371 40 0 IIABRN C[C@@H]1CCCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)C1 ZINC000013649486 556545277 /nfs/dbraw/zinc/54/52/77/556545277.db2.gz GZPKDGMZELGFNG-OAHLLOKOSA-N 0 0 441.380 4.447 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccccc3F)[C@@H]2C1 ZINC000032640531 556545443 /nfs/dbraw/zinc/54/54/43/556545443.db2.gz UEEKUNZSURFLMR-NVXWUHKLSA-N 0 0 445.368 4.408 40 0 IIABRN CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1OCC ZINC000013669071 556549719 /nfs/dbraw/zinc/54/97/19/556549719.db2.gz ZOUWZTFNZHRQOE-CQSZACIVSA-N 0 0 442.375 4.427 40 0 IIABRN Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013677094 556554804 /nfs/dbraw/zinc/55/48/04/556554804.db2.gz HTDJGFGGUKKNPP-OAHLLOKOSA-N 0 0 441.380 4.482 40 0 IIABRN COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1Cl ZINC000013677692 556555104 /nfs/dbraw/zinc/55/51/04/556555104.db2.gz JFFAFBRQWWUUAA-UHFFFAOYSA-N 0 0 436.942 4.488 40 0 IIABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1OC ZINC000013678013 556555414 /nfs/dbraw/zinc/55/54/14/556555414.db2.gz KCDKVYXVQYKEMZ-UHFFFAOYSA-N 0 0 442.562 4.397 40 0 IIABRN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000016022699 556575626 /nfs/dbraw/zinc/57/56/26/556575626.db2.gz WYNJKXQVXKMWGX-SFHVURJKSA-N 0 0 434.561 4.218 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(CC)cccc2CC)cc1Cl ZINC000016162279 556586558 /nfs/dbraw/zinc/58/65/58/556586558.db2.gz UDWOIUPCAIETIW-UHFFFAOYSA-N 0 0 438.977 4.123 40 0 IIABRN O=c1/c(=C\c2ccccc2Cl)sc2n1N=C(c1ccccc1)[C@@H](c1ccccc1)N=2 ZINC000016478136 556610961 /nfs/dbraw/zinc/61/09/61/556610961.db2.gz SLFFLRWXOPQXDY-LSSXRZCCSA-N 0 0 429.932 4.019 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000038771948 556619283 /nfs/dbraw/zinc/61/92/83/556619283.db2.gz MDNVSDASJXTBBM-IBGZPJMESA-N 0 0 432.586 4.126 40 0 IIABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000038855349 556625695 /nfs/dbraw/zinc/62/56/95/556625695.db2.gz DVDBUEYTJMRXIF-UHFFFAOYSA-N 0 0 438.531 4.465 40 0 IIABRN COc1cccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccc(C)cc3)c3nc4ccccc4n32)c1 ZINC000039963998 556631130 /nfs/dbraw/zinc/63/11/30/556631130.db2.gz IHADKDGSFVQAMW-HSZRJFAPSA-N 0 0 440.503 4.470 40 0 IIABRN CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC000039986071 556632414 /nfs/dbraw/zinc/63/24/14/556632414.db2.gz ROLIYICCIYNTTB-UHFFFAOYSA-N 0 0 438.830 4.147 40 0 IIABRN CCOc1cc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000101173079 556635533 /nfs/dbraw/zinc/63/55/33/556635533.db2.gz BSHNXEWKJQWCMI-HJOGWXRNSA-N 0 0 444.487 4.150 40 0 IIABRN CCc1nn2c(nnc3c2ccn(CCc2ccccc2OC)c3=O)c1-c1ccc(F)cc1 ZINC000040391660 556637905 /nfs/dbraw/zinc/63/79/05/556637905.db2.gz ZBMNKCOONBTXPD-UHFFFAOYSA-N 0 0 443.482 4.059 40 0 IIABRN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000016788694 556641944 /nfs/dbraw/zinc/64/19/44/556641944.db2.gz FEXMSYVTKDVMMX-UHFFFAOYSA-N 0 0 448.504 4.104 40 0 IIABRN Cc1c(-c2cnn(C)c2C)nn(-c2nc(C(F)F)cc(C3CC3)n2)c1-c1cnn(C)c1C ZINC000013643505 556660530 /nfs/dbraw/zinc/66/05/30/556660530.db2.gz COXLPTKUPRAWMW-UHFFFAOYSA-N 0 0 438.486 4.204 40 0 IIABRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000083319075 556663831 /nfs/dbraw/zinc/66/38/31/556663831.db2.gz QDEQAGFYIZGIDT-ZHZULCJRSA-N 0 0 437.448 4.246 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)c(C)c1 ZINC000017703576 556678709 /nfs/dbraw/zinc/67/87/09/556678709.db2.gz VNMFYMOYVZDEBS-GOSISDBHSA-N 0 0 432.561 4.029 40 0 IIABRN CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(C)cc1 ZINC000044935962 556682652 /nfs/dbraw/zinc/68/26/52/556682652.db2.gz MSYWWMNRHNHHOD-UGKGYDQZSA-N 0 0 444.597 4.087 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c(C)c1 ZINC000044935096 556682690 /nfs/dbraw/zinc/68/26/90/556682690.db2.gz UVYGJQKHXWSGJQ-HTAPYJJXSA-N 0 0 444.597 4.005 40 0 IIABRN COc1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000018096044 556683948 /nfs/dbraw/zinc/68/39/48/556683948.db2.gz QRJNCGAIZQPDMR-UHFFFAOYSA-N 0 0 438.549 4.101 40 0 IIABRN O=C(NCCSc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000018205393 556686641 /nfs/dbraw/zinc/68/66/41/556686641.db2.gz NSLBQKGAMPBWPC-UHFFFAOYSA-N 0 0 439.002 4.037 40 0 IIABRN COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nnc2-c2ccncc2)cc1 ZINC000000796373 556695113 /nfs/dbraw/zinc/69/51/13/556695113.db2.gz CURGCWSREQHDON-UHFFFAOYSA-N 0 0 447.520 4.077 40 0 IIABRN C[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1ccnc1 ZINC000019078416 556695581 /nfs/dbraw/zinc/69/55/81/556695581.db2.gz SXUDVIRELYDJDL-UONOGXRCSA-N 0 0 435.475 4.388 40 0 IIABRN CC(C)(C)[C@@H]1CCc2noc(C3CCN(C(=O)c4ccc(C(N)=O)cc4F)CC3)c2C1 ZINC000019082455 556697370 /nfs/dbraw/zinc/69/73/70/556697370.db2.gz HXEQRIDKJXUNJF-MRXNPFEDSA-N 0 0 427.520 4.083 40 0 IIABRN COCCOc1ccc(CN2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000019116889 556700281 /nfs/dbraw/zinc/70/02/81/556700281.db2.gz RGZHFRYDNWLACB-IBGZPJMESA-N 0 0 434.462 4.419 40 0 IIABRN Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019119282 556700585 /nfs/dbraw/zinc/70/05/85/556700585.db2.gz CJMAKDAQBUJEIC-CYBMUJFWSA-N 0 0 425.436 4.076 40 0 IIABRN COc1cc(OC)c(C2=NO[C@H](C(=O)N3CCCCC[C@H]3c3cc(C)no3)C2)cc1Cl ZINC000019120097 556700898 /nfs/dbraw/zinc/70/08/98/556700898.db2.gz BIFXODTXORLRDT-UWJYYQICSA-N 0 0 447.919 4.291 40 0 IIABRN Cc1cc(-c2cnc(N3CCC(NC(=O)[C@H](C)c4ccccc4)CC3)nc2C2CC2)on1 ZINC000019121675 556701161 /nfs/dbraw/zinc/70/11/61/556701161.db2.gz DNVVNWWCKRASFX-QGZVFWFLSA-N 0 0 431.540 4.206 40 0 IIABRN COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1 ZINC000019121799 556701206 /nfs/dbraw/zinc/70/12/06/556701206.db2.gz SJUYTLISQBHYDF-NRFANRHFSA-N 0 0 449.555 4.201 40 0 IIABRN O=C(c1ccccc1Nc1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 ZINC000257208279 556701922 /nfs/dbraw/zinc/70/19/22/556701922.db2.gz BLLSIDSOBWZTSK-AREMUKBSSA-N 0 0 445.494 4.217 40 0 IIABRN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3ccnn3C(C)C)CC2)on1 ZINC000019123128 556701928 /nfs/dbraw/zinc/70/19/28/556701928.db2.gz BGZJBQKRBSSKEJ-UHFFFAOYSA-N 0 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CCn1cc(CN2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)cn1 ZINC000019741755 556884832 /nfs/dbraw/zinc/88/48/32/556884832.db2.gz NXGFBLTYMJGAPW-QHCPKHFHSA-N 0 0 444.583 4.126 40 0 IIABRN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cc1 ZINC000019741823 556885013 /nfs/dbraw/zinc/88/50/13/556885013.db2.gz BYIUHVKHVZFARR-HSZRJFAPSA-N 0 0 449.599 4.406 40 0 IIABRN Nc1n[nH]c2nc([C@H]3CCCN(C(=O)c4nccc5ccccc54)C3)cc(C(F)(F)F)c12 ZINC000019742146 556885806 /nfs/dbraw/zinc/88/58/06/556885806.db2.gz BSCBCIKEHUSBCM-ZDUSSCGKSA-N 0 0 440.429 4.127 40 0 IIABRN CCn1nc(C)c(CN2CCC[C@@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)c1C ZINC000019742122 556885988 /nfs/dbraw/zinc/88/59/88/556885988.db2.gz FFHLPGAKYYMUOE-JOCHJYFZSA-N 0 0 438.620 4.281 40 0 IIABRN Cc1nccn1CCCC(=O)N1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019743966 556889458 /nfs/dbraw/zinc/88/94/58/556889458.db2.gz GWVLKOLBBBWXOE-XMMPIXPASA-N 0 0 436.600 4.039 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)s1 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COc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000408955679 556899239 /nfs/dbraw/zinc/89/92/39/556899239.db2.gz YLELLBSQYJXEJH-ZHZULCJRSA-N 0 0 433.489 4.161 40 0 IIABRN C[C@@H](C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000019756422 556900221 /nfs/dbraw/zinc/90/02/21/556900221.db2.gz VWUVCZSWHFNEGJ-GOSISDBHSA-N 0 0 448.542 4.396 40 0 IIABRN COc1cccc(CNc2cc(CC3CCN(C(=O)[C@@H]4CC45CCC5)CC3)nc(C)n2)c1 ZINC000019758796 556902620 /nfs/dbraw/zinc/90/26/20/556902620.db2.gz WZBOWWJRFBCGDR-QHCPKHFHSA-N 0 0 434.584 4.377 40 0 IIABRN O=C(Nc1nccs1)c1cc([C@@H]2CN(C(=O)C3CCCC3)CCO2)nc2ccccc21 ZINC000019759545 556903219 /nfs/dbraw/zinc/90/32/19/556903219.db2.gz OAJNKMCBSCAYND-FQEVSTJZSA-N 0 0 436.537 4.034 40 0 IIABRN C[C@]12CC[C@H](C[C@@H]1C(=O)NCCc1c[nH]c3ccccc13)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326928 556903464 /nfs/dbraw/zinc/90/34/64/556903464.db2.gz DFHPHZODEVHCEM-SYFBOLAPSA-N 0 0 442.563 4.205 40 0 IIABRN 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0 IIABRN CC(=O)c1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000409002776 556915105 /nfs/dbraw/zinc/91/51/05/556915105.db2.gz AHCXFDVCNGANQS-UHFFFAOYSA-N 0 0 436.533 4.027 40 0 IIABRN CCN(CC)C(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409004828 556915292 /nfs/dbraw/zinc/91/52/92/556915292.db2.gz DZZQVHNTRIJSPQ-UHFFFAOYSA-N 0 0 443.396 4.361 40 0 IIABRN CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000072345018 556916368 /nfs/dbraw/zinc/91/63/68/556916368.db2.gz NZEHZHQKIUJICN-QFIPXVFZSA-N 0 0 431.580 4.392 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000072347915 556919183 /nfs/dbraw/zinc/91/91/83/556919183.db2.gz RFYSNFJXOUVPHZ-KRWDZBQOSA-N 0 0 441.959 4.022 40 0 IIABRN O=C(CC1c2ccccc2Oc2ccccc21)N1CCc2nc3ccccc3c(=O)n2CC1 ZINC000072347918 556919193 /nfs/dbraw/zinc/91/91/93/556919193.db2.gz SDGNXUBLBMAESY-UHFFFAOYSA-N 0 0 437.499 4.109 40 0 IIABRN NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 ZINC000072349671 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ZINC000409027258 556926456 /nfs/dbraw/zinc/92/64/56/556926456.db2.gz COLMSVDDYQNIJZ-UHFFFAOYSA-N 0 0 442.512 4.367 40 0 IIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)cc1 ZINC000072353436 556926503 /nfs/dbraw/zinc/92/65/03/556926503.db2.gz HGZWJVRCDWNFHD-SFHVURJKSA-N 0 0 447.539 4.187 40 0 IIABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353493 556927071 /nfs/dbraw/zinc/92/70/71/556927071.db2.gz UVNHCUBYEJNJJO-FQEVSTJZSA-N 0 0 440.551 4.433 40 0 IIABRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(Br)cc1OC ZINC000409035735 556928549 /nfs/dbraw/zinc/92/85/49/556928549.db2.gz QDHJGMKVPFPZSO-YBEGLDIGSA-N 0 0 447.354 4.461 40 0 IIABRN Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)c3cc(C)nc(N(C)C)n3)C2)n1 ZINC000072354264 556929895 /nfs/dbraw/zinc/92/98/95/556929895.db2.gz HOPZGPIEQMVFHJ-HSZRJFAPSA-N 0 0 443.595 4.473 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cs1 ZINC000072354886 556930169 /nfs/dbraw/zinc/93/01/69/556930169.db2.gz FISYMBAEEYIODP-QGZVFWFLSA-N 0 0 447.486 4.416 40 0 IIABRN CC(=O)NCc1cnc([C@@H]2CCCN2CCOc2ccc(F)cc2)cc1C(F)(F)F ZINC000072356159 556930753 /nfs/dbraw/zinc/93/07/53/556930753.db2.gz PQAZWVPVBWETDZ-FQEVSTJZSA-N 0 0 425.426 4.092 40 0 IIABRN O=C(CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)Nc1nccs1 ZINC000072359423 556932538 /nfs/dbraw/zinc/93/25/38/556932538.db2.gz XFKXBWNEHXWGJP-OAHLLOKOSA-N 0 0 447.486 4.437 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)Cc2ccc(F)cc2)cc1 ZINC000409051773 556933207 /nfs/dbraw/zinc/93/32/07/556933207.db2.gz DZVZYBRXRUVUKP-UHFFFAOYSA-N 0 0 430.476 4.103 40 0 IIABRN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860909 556933458 /nfs/dbraw/zinc/93/34/58/556933458.db2.gz LEMCGHXHBGPJRH-AWEZNQCLSA-N 0 0 445.343 4.313 40 0 IIABRN CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cn(C)c3cc(OC)ccc23)CCO1 ZINC000072370214 556934069 /nfs/dbraw/zinc/93/40/69/556934069.db2.gz SFIBVNMENRWJIT-OAQYLSRUSA-N 0 0 449.576 4.335 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019866254 556934441 /nfs/dbraw/zinc/93/44/41/556934441.db2.gz BUCCZLWDPPSKAG-UYAOXDASSA-N 0 0 449.016 4.376 40 0 IIABRN COc1ccccc1OCC(=O)N1CCCC[C@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370588 556935353 /nfs/dbraw/zinc/93/53/53/556935353.db2.gz FGHJYQFPJIZNKS-INIZCTEOSA-N 0 0 438.549 4.011 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)Cn1cccn1 ZINC000072370680 556935970 /nfs/dbraw/zinc/93/59/70/556935970.db2.gz MECRNHZKUNMZCH-GOSISDBHSA-N 0 0 438.597 4.250 40 0 IIABRN NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000072370734 556936382 /nfs/dbraw/zinc/93/63/82/556936382.db2.gz LVVJMWWTLCHZPB-OAHLLOKOSA-N 0 0 436.581 4.230 40 0 IIABRN COc1cccc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c1 ZINC000072371228 556937591 /nfs/dbraw/zinc/93/75/91/556937591.db2.gz YHZHKLWDLBCHIX-QGZVFWFLSA-N 0 0 425.916 4.323 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)s1 ZINC000072372900 556944533 /nfs/dbraw/zinc/94/45/33/556944533.db2.gz OKLRKQGCKCYIFH-FQEVSTJZSA-N 0 0 448.596 4.183 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nc2c1CCCN2CC1CCCCC1 ZINC000072372877 556944644 /nfs/dbraw/zinc/94/46/44/556944644.db2.gz JSSYKADXFVKOON-JOCHJYFZSA-N 0 0 448.615 4.307 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)CC3CCCC3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000072373849 556947099 /nfs/dbraw/zinc/94/70/99/556947099.db2.gz WTHLQHCCCXWYFO-NRFANRHFSA-N 0 0 433.600 4.419 40 0 IIABRN COc1cccc(-c2nnc(CSc3n[nH]c(-c4cc(Cl)ccc4OC)n3)o2)c1 ZINC000019929209 556947375 /nfs/dbraw/zinc/94/73/75/556947375.db2.gz NFGZRMPIUMSOST-UHFFFAOYSA-N 0 0 429.889 4.485 40 0 IIABRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000019931070 556948493 /nfs/dbraw/zinc/94/84/93/556948493.db2.gz MDRNTQWFYPFQJZ-VGSWGCGISA-N 0 0 442.968 4.107 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000019931426 556948831 /nfs/dbraw/zinc/94/88/31/556948831.db2.gz AKFQUUPFFCHBBE-KNQAVFIVSA-N 0 0 446.613 4.370 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000019934702 556950337 /nfs/dbraw/zinc/95/03/37/556950337.db2.gz SALZXXCBFRLMOE-HSZRJFAPSA-N 0 0 444.597 4.305 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2ncc(C)s2)n1 ZINC000072375588 556951813 /nfs/dbraw/zinc/95/18/13/556951813.db2.gz LZKHJXZBZVNBGR-KRWDZBQOSA-N 0 0 444.582 4.433 40 0 IIABRN O=C(CCn1ncc2c1CCCC2)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375623 556952059 /nfs/dbraw/zinc/95/20/59/556952059.db2.gz NNHCUCNFQVPPQB-NRFANRHFSA-N 0 0 434.519 4.188 40 0 IIABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(Cl)c3)C2=O)cc1 ZINC000409099145 556954331 /nfs/dbraw/zinc/95/43/31/556954331.db2.gz SGPHNSZRWYKVQB-LICLKQGHSA-N 0 0 432.885 4.119 40 0 IIABRN Cc1cccc(Nc2cncc([C@H]3CCCN3S(=O)(=O)Cc3ccccc3Cl)n2)n1 ZINC000072376370 556954780 /nfs/dbraw/zinc/95/47/80/556954780.db2.gz LHOPGWMIYRPQFC-LJQANCHMSA-N 0 0 443.960 4.244 40 0 IIABRN CCOc1cc(Br)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1O ZINC000409101600 556955818 /nfs/dbraw/zinc/95/58/18/556955818.db2.gz YRTRYWDPINETPW-VGOFMYFVSA-N 0 0 437.677 4.304 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000020004461 556957952 /nfs/dbraw/zinc/95/79/52/556957952.db2.gz DHCNECWOXRLSSJ-QFIPXVFZSA-N 0 0 440.540 4.279 40 0 IIABRN Cc1cc2nc([C@@H]3CCCCN3C(=O)[C@H](C)c3n[nH]c(=O)c4ccccc43)[nH]c2cc1C ZINC000072389464 556959578 /nfs/dbraw/zinc/95/95/78/556959578.db2.gz WYPUJXHFKSDCDH-IERDGZPVSA-N 0 0 429.524 4.274 40 0 IIABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000020010258 556960206 /nfs/dbraw/zinc/96/02/06/556960206.db2.gz VAKORCZSZRCVMF-QHCPKHFHSA-N 0 0 426.582 4.204 40 0 IIABRN Cc1ccc(C)c(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000409123810 556960821 /nfs/dbraw/zinc/96/08/21/556960821.db2.gz DZEAWTFBGMPMLZ-UHFFFAOYSA-N 0 0 434.867 4.380 40 0 IIABRN CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccc(N)cc2)C1 ZINC000072390562 556960953 /nfs/dbraw/zinc/96/09/53/556960953.db2.gz ADNDWUAIIRRPQW-HHHXNRCGSA-N 0 0 445.538 4.286 40 0 IIABRN COCc1ccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccc(C)cc3)C2)cc1 ZINC000072391045 556961576 /nfs/dbraw/zinc/96/15/76/556961576.db2.gz CTEDCOIJPORQLO-RUZDIDTESA-N 0 0 442.559 4.239 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc[nH]n2)C1 ZINC000072391216 556961799 /nfs/dbraw/zinc/96/17/99/556961799.db2.gz RJQKMBSRDUEIMQ-XMMPIXPASA-N 0 0 436.581 4.128 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cc[nH]n2)C1 ZINC000072391225 556961871 /nfs/dbraw/zinc/96/18/71/556961871.db2.gz MXHSRSHWQUXQDF-SANMLTNESA-N 0 0 430.552 4.066 40 0 IIABRN Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCC[C@H]1c1ccnc2cc(C(C)(C)C)nn21 ZINC000072391725 556962511 /nfs/dbraw/zinc/96/25/11/556962511.db2.gz WFNPSDNKEAWADD-HNNXBMFYSA-N 0 0 448.493 4.304 40 0 IIABRN Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000020019257 556963851 /nfs/dbraw/zinc/96/38/51/556963851.db2.gz LQLSHDIQRSYWEM-KRWDZBQOSA-N 0 0 442.512 4.191 40 0 IIABRN Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000020019253 556963925 /nfs/dbraw/zinc/96/39/25/556963925.db2.gz LQLSHDIQRSYWEM-QGZVFWFLSA-N 0 0 442.512 4.191 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1C ZINC000020020022 556964085 /nfs/dbraw/zinc/96/40/85/556964085.db2.gz HUNLEJYUEXQZCX-UHFFFAOYSA-N 0 0 446.475 4.400 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000020022358 556965540 /nfs/dbraw/zinc/96/55/40/556965540.db2.gz DSLQRLDZEAQNQZ-UHFFFAOYSA-N 0 0 432.448 4.092 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000020023698 556966027 /nfs/dbraw/zinc/96/60/27/556966027.db2.gz VEJNEUWACWGZIZ-SFHVURJKSA-N 0 0 444.597 4.116 40 0 IIABRN COCCCNC(=O)Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000409133555 556968461 /nfs/dbraw/zinc/96/84/61/556968461.db2.gz MFIIFSCCIWKMHW-STZFKDTASA-N 0 0 449.532 4.035 40 0 IIABRN Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)CC4CCCC4)C3)on2)cc1 ZINC000072396037 556968734 /nfs/dbraw/zinc/96/87/34/556968734.db2.gz WKTGTTXPLKLNBQ-SANMLTNESA-N 0 0 437.584 4.470 40 0 IIABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409136063 556969398 /nfs/dbraw/zinc/96/93/98/556969398.db2.gz WLESMXHIXJOWRC-QGZVFWFLSA-N 0 0 437.569 4.137 40 0 IIABRN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000072396836 556969716 /nfs/dbraw/zinc/96/97/16/556969716.db2.gz DHPLQUBERNZSNX-DENIHFKCSA-N 0 0 448.592 4.166 40 0 IIABRN COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc(-c2cccs2)no1 ZINC000072397002 556970022 /nfs/dbraw/zinc/97/00/22/556970022.db2.gz QFHNJAKUPPFVPJ-KRWDZBQOSA-N 0 0 434.521 4.464 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)c1 ZINC000020036012 556970259 /nfs/dbraw/zinc/97/02/59/556970259.db2.gz WIXLLELTEHEWDP-HXUWFJFHSA-N 0 0 428.598 4.031 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000020038043 556970894 /nfs/dbraw/zinc/97/08/94/556970894.db2.gz RQBGKBVANHHVCM-FOIQADDNSA-N 0 0 438.977 4.161 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)c1 ZINC000020046624 556973684 /nfs/dbraw/zinc/97/36/84/556973684.db2.gz FEWMFRKXWJRISK-FQEVSTJZSA-N 0 0 428.598 4.031 40 0 IIABRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1C ZINC000409149182 556974164 /nfs/dbraw/zinc/97/41/64/556974164.db2.gz YPPDDTCEQSIRCT-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000409145360 556976772 /nfs/dbraw/zinc/97/67/72/556976772.db2.gz NYNXKWPHROBHCK-UHFFFAOYSA-N 0 0 428.124 4.217 40 0 IIABRN CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cccc1OC ZINC000409153221 556978516 /nfs/dbraw/zinc/97/85/16/556978516.db2.gz LZFXVDJAYRQFLR-LDADJPATSA-N 0 0 426.494 4.077 40 0 IIABRN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)n2N)c1 ZINC000409153851 556978924 /nfs/dbraw/zinc/97/89/24/556978924.db2.gz NUEJUXVTTLOCRU-UHFFFAOYSA-N 0 0 446.374 4.077 40 0 IIABRN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1 ZINC000409157246 556980124 /nfs/dbraw/zinc/98/01/24/556980124.db2.gz VBDSWSQUURFECS-MHWRWJLKSA-N 0 0 447.310 4.133 40 0 IIABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(OC)c1 ZINC000409169570 556980456 /nfs/dbraw/zinc/98/04/56/556980456.db2.gz QWPDUMJVBALUHZ-CAOOACKPSA-N 0 0 432.885 4.032 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 ZINC000020104134 556981300 /nfs/dbraw/zinc/98/13/00/556981300.db2.gz VOQGUJWPXDJXRC-LJQANCHMSA-N 0 0 444.597 4.449 40 0 IIABRN CCOc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ncncc3-c3cc(C)no3)CC2)cc1 ZINC000257210701 556981573 /nfs/dbraw/zinc/98/15/73/556981573.db2.gz BVUDWALDNXWWNO-MXVIHJGJSA-N 0 0 434.540 4.471 40 0 IIABRN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000020105304 556982249 /nfs/dbraw/zinc/98/22/49/556982249.db2.gz WNBBZLFIMPHDTP-GOSISDBHSA-N 0 0 440.540 4.461 40 0 IIABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 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CC(C)(C)c1ccc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)cc1 ZINC000100156154 557244712 /nfs/dbraw/zinc/24/47/12/557244712.db2.gz BEQFLKSWENMBHT-HDICACEKSA-N 0 0 449.555 4.293 40 0 IIABRN Cc1ncsc1-c1nnc([C@H]2CC[C@H](CNC(=O)COc3cccc(F)c3)CC2)o1 ZINC000100156460 557245001 /nfs/dbraw/zinc/24/50/01/557245001.db2.gz CYXAVSRGEJVIPG-GASCZTMLSA-N 0 0 430.505 4.110 40 0 IIABRN Cc1ccc(C(=O)NC[C@H]2CC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)CC2)cc1F ZINC000100223561 557249308 /nfs/dbraw/zinc/24/93/08/557249308.db2.gz KQKZNMNDARHRNF-GQIGUUNPSA-N 0 0 429.561 4.394 40 0 IIABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057608695 557254853 /nfs/dbraw/zinc/25/48/53/557254853.db2.gz YWVWXEASWFCSAU-HSZRJFAPSA-N 0 0 444.583 4.498 40 0 IIABRN Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)c1 ZINC000100243195 557255428 /nfs/dbraw/zinc/25/54/28/557255428.db2.gz HGBCZOOFJQCFJY-QHCPKHFHSA-N 0 0 447.583 4.011 40 0 IIABRN CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000057671496 557257253 /nfs/dbraw/zinc/25/72/53/557257253.db2.gz RVUSLGVGYUHCTQ-GOSISDBHSA-N 0 0 439.614 4.056 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1 ZINC000012868025 557258695 /nfs/dbraw/zinc/25/86/95/557258695.db2.gz VUMQDEXTIUZQDU-IBGZPJMESA-N 0 0 426.517 4.370 40 0 IIABRN CC(C)c1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000012869719 557259666 /nfs/dbraw/zinc/25/96/66/557259666.db2.gz CFSWCFYKOPUFMG-HXUWFJFHSA-N 0 0 437.569 4.359 40 0 IIABRN COc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000100394776 557259927 /nfs/dbraw/zinc/25/99/27/557259927.db2.gz DHFLGJDOYPMVFK-HDICACEKSA-N 0 0 427.884 4.290 40 0 IIABRN Cc1ccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 ZINC000219629400 557260674 /nfs/dbraw/zinc/26/06/74/557260674.db2.gz FVDCFWDGJURALO-NRFANRHFSA-N 0 0 444.597 4.268 40 0 IIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219691450 557262781 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NLJIXEORZMKGGA-QYZOEREBSA-N 0 0 442.629 4.319 40 0 IIABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2nc1SCC(=O)NC1CCCCC1 ZINC000013082884 557275645 /nfs/dbraw/zinc/27/56/45/557275645.db2.gz JBKIXXRQDUFFQH-HDICACEKSA-N 0 0 442.629 4.367 40 0 IIABRN O=C(NCCCc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000220006087 557276461 /nfs/dbraw/zinc/27/64/61/557276461.db2.gz VTBWAFUXIMUKRD-UHFFFAOYSA-N 0 0 434.989 4.267 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 ZINC000013083823 557276980 /nfs/dbraw/zinc/27/69/80/557276980.db2.gz RJKMEXZMQDBHND-IBGZPJMESA-N 0 0 441.553 4.437 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000220046259 557278264 /nfs/dbraw/zinc/27/82/64/557278264.db2.gz CVNJCAHLJZTNSK-UHFFFAOYSA-N 0 0 441.258 4.417 40 0 IIABRN C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000220202952 557285160 /nfs/dbraw/zinc/28/51/60/557285160.db2.gz IADBJIOGRVMNJQ-KUHUBIRLSA-N 0 0 440.487 4.054 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000220203391 557285238 /nfs/dbraw/zinc/28/52/38/557285238.db2.gz ABPOAWBISDDFCZ-LSDHHAIUSA-N 0 0 428.476 4.046 40 0 IIABRN CC[C@@H](NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220204329 557285423 /nfs/dbraw/zinc/28/54/23/557285423.db2.gz MOIKLZCCPLTTFP-HNAYVOBHSA-N 0 0 442.503 4.436 40 0 IIABRN CC[C@H](NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220204395 557285481 /nfs/dbraw/zinc/28/54/81/557285481.db2.gz MOIKLZCCPLTTFP-KXBFYZLASA-N 0 0 442.503 4.436 40 0 IIABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)COc2ccccc2)c1 ZINC000260565668 557287520 /nfs/dbraw/zinc/28/75/20/557287520.db2.gz RWPZKCNVSJBRPU-LJQANCHMSA-N 0 0 438.549 4.017 40 0 IIABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220248038 557288070 /nfs/dbraw/zinc/28/80/70/557288070.db2.gz YAZNMPDVLBEYFB-NSHDSACASA-N 0 0 435.760 4.118 40 0 IIABRN 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CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220503954 557297932 /nfs/dbraw/zinc/29/79/32/557297932.db2.gz ILVHSQXGONIVIP-QHCPKHFHSA-N 0 0 428.598 4.021 40 0 IIABRN CC[C@@H](C(=O)NCCSCc1ccccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220568563 557301007 /nfs/dbraw/zinc/30/10/07/557301007.db2.gz JFVYPCNWZHLPPR-QFIPXVFZSA-N 0 0 448.654 4.206 40 0 IIABRN CC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220599734 557302257 /nfs/dbraw/zinc/30/22/57/557302257.db2.gz RRXQDAOWNBNVOD-OAQYLSRUSA-N 0 0 440.540 4.276 40 0 IIABRN CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220623091 557303360 /nfs/dbraw/zinc/30/33/60/557303360.db2.gz NQKFEAIERSKZIY-QGZVFWFLSA-N 0 0 431.341 4.185 40 0 IIABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220640543 557304089 /nfs/dbraw/zinc/30/40/89/557304089.db2.gz JZCOIEIDIKMOMO-QGZVFWFLSA-N 0 0 431.341 4.185 40 0 IIABRN Cc1ccc([C@H](C)C(=O)N[C@H]2CC(C)(C)Cc3nc(N4C[C@@H](C)O[C@@H](C)C4)ncc32)cc1 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426.941 4.211 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)N[C@H](CC)c1ccc(C)cc1)S(C)(=O)=O ZINC000113962845 557311646 /nfs/dbraw/zinc/31/16/46/557311646.db2.gz SMWCTDXZWWYSSJ-HXUWFJFHSA-N 0 0 432.586 4.207 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c(C)c1 ZINC000113971896 557311926 /nfs/dbraw/zinc/31/19/26/557311926.db2.gz QNQYQFONKREFGM-QUCCMNQESA-N 0 0 449.016 4.376 40 0 IIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000220757826 557312208 /nfs/dbraw/zinc/31/22/08/557312208.db2.gz NOXYHCXHDFIFMJ-INIZCTEOSA-N 0 0 445.368 4.494 40 0 IIABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1Br)S(C)(=O)=O ZINC000010328432 557320436 /nfs/dbraw/zinc/32/04/36/557320436.db2.gz VDIJVZRVXNTCRS-LBPRGKRZSA-N 0 0 445.766 4.204 40 0 IIABRN COc1ccc(OC)c([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)c1 ZINC000013496259 557326436 /nfs/dbraw/zinc/32/64/36/557326436.db2.gz GUXMTNABQAWTDO-DEOSSOPVSA-N 0 0 433.556 4.343 40 0 IIABRN Cc1ccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1C 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ZINC000013503582 557338686 /nfs/dbraw/zinc/33/86/86/557338686.db2.gz IYOSPJJLBINPPD-UHFFFAOYSA-N 0 0 437.565 4.084 40 0 IIABRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2)[C@H](C(=O)OCc2ccc(F)cc2)C1 ZINC000072202946 557340046 /nfs/dbraw/zinc/34/00/46/557340046.db2.gz KAHGUZKKAQZOIU-NRFANRHFSA-N 0 0 446.494 4.130 40 0 IIABRN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCOCCOc1ccc(C)cc1 ZINC000033417793 557340218 /nfs/dbraw/zinc/34/02/18/557340218.db2.gz UTNMJAWIMZTQSS-RCCKNPSSSA-N 0 0 442.537 4.007 40 0 IIABRN Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)CN5CCCC5)n4)ccc32)cc1 ZINC000013564965 557341683 /nfs/dbraw/zinc/34/16/83/557341683.db2.gz LTAMFHZZYVQVDL-UHFFFAOYSA-N 0 0 446.576 4.356 40 0 IIABRN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)sc2Cl)cc1 ZINC000014671777 557347381 /nfs/dbraw/zinc/34/73/81/557347381.db2.gz TUHWPLZSMYBXRV-UHFFFAOYSA-N 0 0 448.374 4.424 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222533874 557348152 /nfs/dbraw/zinc/34/81/52/557348152.db2.gz 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IIABRN CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1 ZINC000222672309 557371647 /nfs/dbraw/zinc/37/16/47/557371647.db2.gz YJEPGRFYQSHESA-SFHVURJKSA-N 0 0 444.597 4.169 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1 ZINC000222672251 557371658 /nfs/dbraw/zinc/37/16/58/557371658.db2.gz YJEPGRFYQSHESA-GOSISDBHSA-N 0 0 444.597 4.169 40 0 IIABRN CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000113894468 557378889 /nfs/dbraw/zinc/37/88/89/557378889.db2.gz VKULXLZLEOYCBV-UHFFFAOYSA-N 0 0 446.750 4.169 40 0 IIABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCOCC1 ZINC000222720940 557379082 /nfs/dbraw/zinc/37/90/82/557379082.db2.gz ASOXOLQOHWTPAH-UHFFFAOYSA-N 0 0 439.364 4.338 40 0 IIABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000113956224 557381296 /nfs/dbraw/zinc/38/12/96/557381296.db2.gz MJEGIONFZJXRDM-SFHVURJKSA-N 0 0 446.638 4.303 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1Cl ZINC000222764277 557384109 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0 0 432.948 4.059 40 0 IIABRN COc1cccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3Cl)n2C)c1 ZINC000013870603 557391566 /nfs/dbraw/zinc/39/15/66/557391566.db2.gz JYFPMXZUMGTFAE-ZDUSSCGKSA-N 0 0 432.933 4.348 40 0 IIABRN COc1ccccc1OC[C@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222846018 557393137 /nfs/dbraw/zinc/39/31/37/557393137.db2.gz SHTHHGWUPGZVJI-SWEXZPIWSA-N 0 0 436.533 4.111 40 0 IIABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222850317 557394010 /nfs/dbraw/zinc/39/40/10/557394010.db2.gz NRQYFNHOKAZSLT-LJQANCHMSA-N 0 0 436.939 4.453 40 0 IIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222859479 557395208 /nfs/dbraw/zinc/39/52/08/557395208.db2.gz NQISZDCHSOKFHV-INIZCTEOSA-N 0 0 444.959 4.333 40 0 IIABRN COc1cc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1O ZINC000013995248 557401471 /nfs/dbraw/zinc/40/14/71/557401471.db2.gz NENJKUDNPBSWCF-RNODOKPDSA-N 0 0 425.510 4.067 40 0 IIABRN COc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000222908999 557401549 /nfs/dbraw/zinc/40/15/49/557401549.db2.gz BILBDWFLZMBBSB-UHFFFAOYSA-N 0 0 438.549 4.067 40 0 IIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cccc(OC)c2OC)cc1 ZINC000013995434 557402005 /nfs/dbraw/zinc/40/20/05/557402005.db2.gz QEYUZLPWQTXZRV-SZNDQCEHSA-N 0 0 439.537 4.370 40 0 IIABRN C[C@@H](NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222921176 557402902 /nfs/dbraw/zinc/40/29/02/557402902.db2.gz GVHSWJKIUBKHQU-GOSISDBHSA-N 0 0 436.577 4.362 40 0 IIABRN Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2)cc1 ZINC000222927909 557404101 /nfs/dbraw/zinc/40/41/01/557404101.db2.gz GITMWKLHFFDMDL-FQEVSTJZSA-N 0 0 434.511 4.247 40 0 IIABRN CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913443 557404991 /nfs/dbraw/zinc/40/49/91/557404991.db2.gz LMRPLLZUGUXFDJ-ZTWJRCNQSA-N 0 0 448.600 4.022 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Cl ZINC000222936610 557405577 /nfs/dbraw/zinc/40/55/77/557405577.db2.gz JDRYEAPULRWQAY-ZDUSSCGKSA-N 0 0 427.303 4.065 40 0 IIABRN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)c1ccc(F)cc1 ZINC000222946260 557407223 /nfs/dbraw/zinc/40/72/23/557407223.db2.gz ULKIJTWDHKHWJE-UHFFFAOYSA-N 0 0 430.888 4.483 40 0 IIABRN C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000222980844 557410721 /nfs/dbraw/zinc/41/07/21/557410721.db2.gz JAPBGBRGKPPPTN-AOMKIAJQSA-N 0 0 447.000 4.249 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000222985868 557411880 /nfs/dbraw/zinc/41/18/80/557411880.db2.gz MPWVMHRIDZPGIY-HNNXBMFYSA-N 0 0 435.387 4.095 40 0 IIABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000222997459 557413562 /nfs/dbraw/zinc/41/35/62/557413562.db2.gz LDDDKLYGIFVBSY-KRWDZBQOSA-N 0 0 440.927 4.218 40 0 IIABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000223015411 557415859 /nfs/dbraw/zinc/41/58/59/557415859.db2.gz MOJYRXBADSPFOG-SFHVURJKSA-N 0 0 442.581 4.146 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223015739 557415875 /nfs/dbraw/zinc/41/58/75/557415875.db2.gz HQAUFSOGOMXOQT-CQSZACIVSA-N 0 0 437.765 4.198 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccccc1 ZINC000223017576 557416185 /nfs/dbraw/zinc/41/61/85/557416185.db2.gz UKCFKTTXUMSTCN-KRWDZBQOSA-N 0 0 447.373 4.162 40 0 IIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000223021861 557416417 /nfs/dbraw/zinc/41/64/17/557416417.db2.gz OTXIINNDAYNYQL-DYESRHJHSA-N 0 0 430.932 4.353 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC ZINC000223027378 557417316 /nfs/dbraw/zinc/41/73/16/557417316.db2.gz ZFIAULNQAFXTTL-DLBZAZTESA-N 0 0 432.948 4.059 40 0 IIABRN CC[C@@H](C)NC(=O)Cn1c2ccc(F)cc2c2ncn(C[C@@H](C)c3ccccc3)c(=O)c21 ZINC000014000758 557417358 /nfs/dbraw/zinc/41/73/58/557417358.db2.gz MPSWTSZOUOCGKU-IAGOWNOFSA-N 0 0 434.515 4.209 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1Cl ZINC000223032176 557418534 /nfs/dbraw/zinc/41/85/34/557418534.db2.gz TWJJLKWNSFVHAA-AWEZNQCLSA-N 0 0 437.765 4.198 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000223033573 557418661 /nfs/dbraw/zinc/41/86/61/557418661.db2.gz MQOSJXXQBDOHNW-JLTOFOAXSA-N 0 0 440.968 4.464 40 0 IIABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014019262 557419466 /nfs/dbraw/zinc/41/94/66/557419466.db2.gz QOPCQZQKGKXLDX-GFCCVEGCSA-N 0 0 431.316 4.172 40 0 IIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223042960 557420225 /nfs/dbraw/zinc/42/02/25/557420225.db2.gz GVDVJVYCBHOKOO-SFTDATJTSA-N 0 0 449.605 4.491 40 0 IIABRN COc1cccc(CN(C(=O)COc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223057144 557422993 /nfs/dbraw/zinc/42/29/93/557422993.db2.gz ZWMUTNXAFVTAAS-MRXNPFEDSA-N 0 0 432.948 4.059 40 0 IIABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)cc1 ZINC000223066301 557424767 /nfs/dbraw/zinc/42/47/67/557424767.db2.gz WCIIFGMLLIDAIJ-DHIUTWEWSA-N 0 0 436.581 4.280 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000223066570 557424785 /nfs/dbraw/zinc/42/47/85/557424785.db2.gz XZZQELUFJFYKNO-UHFFFAOYSA-N 0 0 426.925 4.021 40 0 IIABRN Cc1cc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Br ZINC000014155692 557427346 /nfs/dbraw/zinc/42/73/46/557427346.db2.gz RCUIGKODWAQQSM-UHFFFAOYSA-N 0 0 445.766 4.124 40 0 IIABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000025985200 557429174 /nfs/dbraw/zinc/42/91/74/557429174.db2.gz DMSBJDRCQNEGRX-HNNXBMFYSA-N 0 0 430.913 4.438 40 0 IIABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc3ccccc32)CC1 ZINC000014271719 557431032 /nfs/dbraw/zinc/43/10/32/557431032.db2.gz GITKFBKKFBKHCF-UHFFFAOYSA-N 0 0 446.576 4.025 40 0 IIABRN O=C(Nc1ccccc1Br)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000223099478 557431339 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40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223188178 557443108 /nfs/dbraw/zinc/44/31/08/557443108.db2.gz HAWZZQRGQLYVHA-QGZVFWFLSA-N 0 0 444.959 4.335 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000223194419 557444437 /nfs/dbraw/zinc/44/44/37/557444437.db2.gz IVAKINOFYGKXAJ-LJQANCHMSA-N 0 0 440.609 4.395 40 0 IIABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000223194707 557444462 /nfs/dbraw/zinc/44/44/62/557444462.db2.gz CXNQXMQPUSUKFB-INIZCTEOSA-N 0 0 447.000 4.494 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1 ZINC000014412154 557444877 /nfs/dbraw/zinc/44/48/77/557444877.db2.gz NGKSTOZZQFOWSF-UHFFFAOYSA-N 0 0 441.258 4.417 40 0 IIABRN CCC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014412735 557444899 /nfs/dbraw/zinc/44/48/99/557444899.db2.gz VWLFEWBHFWPAFK-AWEZNQCLSA-N 0 0 429.369 4.494 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 ZINC000223198810 557444945 /nfs/dbraw/zinc/44/49/45/557444945.db2.gz GKAJUWIRGUJXRU-HOTGVXAUSA-N 0 0 449.364 4.463 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC000223202955 557445466 /nfs/dbraw/zinc/44/54/66/557445466.db2.gz HGFHACZOINRZGG-IAGOWNOFSA-N 0 0 431.374 4.324 40 0 IIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223203469 557445774 /nfs/dbraw/zinc/44/57/74/557445774.db2.gz DJBYFQQPPMDYNS-XMMPIXPASA-N 0 0 433.527 4.133 40 0 IIABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223208573 557446258 /nfs/dbraw/zinc/44/62/58/557446258.db2.gz HBXPVSZQJLFZMV-INIZCTEOSA-N 0 0 447.000 4.107 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223209925 557446430 /nfs/dbraw/zinc/44/64/30/557446430.db2.gz WHYVDDSNDOFXSV-BTYIYWSLSA-N 0 0 434.989 4.251 40 0 IIABRN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000014428088 557446663 /nfs/dbraw/zinc/44/66/63/557446663.db2.gz QOKOEDGSRPCQIM-UHFFFAOYSA-N 0 0 430.570 4.383 40 0 IIABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014429897 557447016 /nfs/dbraw/zinc/44/70/16/557447016.db2.gz OUBJWABIQVJVGR-UHFFFAOYSA-N 0 0 446.878 4.398 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000223222089 557447499 /nfs/dbraw/zinc/44/74/99/557447499.db2.gz MPAUXMGUEVYGSP-AREMUKBSSA-N 0 0 444.575 4.458 40 0 IIABRN COCc1nn2c(nnc3c2C[C@@H](C=Cc2ccccc2)CC3=O)c1-c1ccc(OC)cc1 ZINC000014607768 557448042 /nfs/dbraw/zinc/44/80/42/557448042.db2.gz OZAQVYQVBNWZIF-GFOMBABLSA-N 0 0 440.503 4.405 40 0 IIABRN CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)cc1C ZINC000223227989 557448756 /nfs/dbraw/zinc/44/87/56/557448756.db2.gz UVJNEVJCIUPRKY-SFHVURJKSA-N 0 0 444.582 4.145 40 0 IIABRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)CCC2 ZINC000223233074 557449156 /nfs/dbraw/zinc/44/91/56/557449156.db2.gz MQAHRKTXUVJISC-GOSISDBHSA-N 0 0 426.582 4.231 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(F)cc1 ZINC000223268000 557453350 /nfs/dbraw/zinc/45/33/50/557453350.db2.gz FHRYQORGFGBXEO-VWLOTQADSA-N 0 0 448.538 4.289 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223268980 557453660 /nfs/dbraw/zinc/45/36/60/557453660.db2.gz FGKWDOPPTFKNRK-RUZDIDTESA-N 0 0 432.539 4.453 40 0 IIABRN CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)s1 ZINC000223286970 557456042 /nfs/dbraw/zinc/45/60/42/557456042.db2.gz YKSXKQSWQYTEOX-UHFFFAOYSA-N 0 0 448.595 4.238 40 0 IIABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)c(C)c1 ZINC000223291619 557456469 /nfs/dbraw/zinc/45/64/69/557456469.db2.gz GVBGIRABRYRGIY-JOCHJYFZSA-N 0 0 444.597 4.449 40 0 IIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1Cc1ccncc1 ZINC000223298744 557456809 /nfs/dbraw/zinc/45/68/09/557456809.db2.gz YIMFIEURAWDSDS-OYDLWJJNSA-N 0 0 447.608 4.095 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223298373 557456812 /nfs/dbraw/zinc/45/68/12/557456812.db2.gz ULQXSUPIAIOBRZ-RTBURBONSA-N 0 0 446.613 4.467 40 0 IIABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102196368 557458060 /nfs/dbraw/zinc/45/80/60/557458060.db2.gz OJWSVBCPLATMAB-BHIFYINESA-N 0 0 434.879 4.400 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(C)c1C ZINC000223333788 557459993 /nfs/dbraw/zinc/45/99/93/557459993.db2.gz ZEHBPVKNEHYSBB-UHFFFAOYSA-N 0 0 429.542 4.138 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(C)C ZINC000223389451 557466052 /nfs/dbraw/zinc/46/60/52/557466052.db2.gz FLCWUWWDVSPQRL-GOSISDBHSA-N 0 0 444.597 4.403 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1ccccn1)c1cccc(F)c1 ZINC000015935706 557467092 /nfs/dbraw/zinc/46/70/92/557467092.db2.gz MJWDBHXKCYMYQR-XMMPIXPASA-N 0 0 440.478 4.320 40 0 IIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000223416239 557469418 /nfs/dbraw/zinc/46/94/18/557469418.db2.gz ZSOSHZKFVVSAEG-ZTCOLXNVSA-N 0 0 448.592 4.243 40 0 IIABRN CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000223416249 557469515 /nfs/dbraw/zinc/46/95/15/557469515.db2.gz ZTXYGEBEWSMKDN-OALUTQOASA-N 0 0 432.586 4.042 40 0 IIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000223416332 557469517 /nfs/dbraw/zinc/46/95/17/557469517.db2.gz ZSOSHZKFVVSAEG-TUACAJSNSA-N 0 0 448.592 4.243 40 0 IIABRN COC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223425758 557471094 /nfs/dbraw/zinc/47/10/94/557471094.db2.gz KOCGJXGYKJZZGP-CQSZACIVSA-N 0 0 440.949 4.153 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1cccnc1 ZINC000223448783 557473022 /nfs/dbraw/zinc/47/30/22/557473022.db2.gz FOGCFJFUBLKCIZ-SJORKVTESA-N 0 0 431.384 4.473 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000223454082 557473913 /nfs/dbraw/zinc/47/39/13/557473913.db2.gz PZUXYWINHSFBCD-FQEVSTJZSA-N 0 0 426.557 4.024 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)c1 ZINC000223459509 557474700 /nfs/dbraw/zinc/47/47/00/557474700.db2.gz NUIRRAUWMRIPNN-NRFANRHFSA-N 0 0 442.625 4.339 40 0 IIABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000016598074 557474698 /nfs/dbraw/zinc/47/46/98/557474698.db2.gz DLVDJFUQBZHWNP-UHFFFAOYSA-N 0 0 443.352 4.041 40 0 IIABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223463276 557474912 /nfs/dbraw/zinc/47/49/12/557474912.db2.gz HRJDFWAPPQMDBT-FQEVSTJZSA-N 0 0 436.980 4.308 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F ZINC000223465940 557475074 /nfs/dbraw/zinc/47/50/74/557475074.db2.gz TWOFXMPFGLNUSS-GOSISDBHSA-N 0 0 446.588 4.401 40 0 IIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000223478433 557476887 /nfs/dbraw/zinc/47/68/87/557476887.db2.gz IPINHVPJRWQHBY-VWLOTQADSA-N 0 0 448.494 4.351 40 0 IIABRN COCc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000223480578 557477250 /nfs/dbraw/zinc/47/72/50/557477250.db2.gz GLPYBCCBZBBWGC-UHFFFAOYSA-N 0 0 444.940 4.320 40 0 IIABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)nc1 ZINC000223487212 557478175 /nfs/dbraw/zinc/47/81/75/557478175.db2.gz CHGXZGZCQKDYHL-XZOQPEGZSA-N 0 0 426.549 4.143 40 0 IIABRN CC(C)OCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223487812 557478308 /nfs/dbraw/zinc/47/83/08/557478308.db2.gz DKYPROSZAOZJMP-QHCPKHFHSA-N 0 0 428.548 4.483 40 0 IIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3cccc4ccccc43)cc2)CC1 ZINC000017097592 557479578 /nfs/dbraw/zinc/47/95/78/557479578.db2.gz AQLQSZVWGJWKKQ-UHFFFAOYSA-N 0 0 431.536 4.306 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223512185 557481126 /nfs/dbraw/zinc/48/11/26/557481126.db2.gz XASDLVIKUJMBGH-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccnc1 ZINC000223526705 557482197 /nfs/dbraw/zinc/48/21/97/557482197.db2.gz HXEAEWWNBGAWJY-BJKOFHAPSA-N 0 0 440.576 4.452 40 0 IIABRN COc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccc(OC)cc2)C(C)=O)cc1 ZINC000223541882 557483559 /nfs/dbraw/zinc/48/35/59/557483559.db2.gz QERBZPJYDCIMAW-VWLOTQADSA-N 0 0 432.520 4.110 40 0 IIABRN CC(=O)N1CCN(c2ccccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000017100001 557483994 /nfs/dbraw/zinc/48/39/94/557483994.db2.gz KJNWVDUAWBNNPD-AWEZNQCLSA-N 0 0 436.339 4.068 40 0 IIABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2)CC1 ZINC000017100007 557484009 /nfs/dbraw/zinc/48/40/09/557484009.db2.gz NGEYZUFMZAIJHZ-UHFFFAOYSA-N 0 0 436.339 4.313 40 0 IIABRN Cc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223546295 557484049 /nfs/dbraw/zinc/48/40/49/557484049.db2.gz UHGILRVAWNDAJG-OAQYLSRUSA-N 0 0 436.577 4.419 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccn1 ZINC000223550328 557484709 /nfs/dbraw/zinc/48/47/09/557484709.db2.gz ZOMODSDVTXORKN-FGZHOGPDSA-N 0 0 446.967 4.488 40 0 IIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(F)cc1 ZINC000223551454 557484909 /nfs/dbraw/zinc/48/49/09/557484909.db2.gz ZDRAGCCXSCZLMS-IBGZPJMESA-N 0 0 430.589 4.435 40 0 IIABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000017094745 557485075 /nfs/dbraw/zinc/48/50/75/557485075.db2.gz BAOJRCTXJAIDCQ-UHFFFAOYSA-N 0 0 426.325 4.477 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccc(C)c(C)c2)cc1 ZINC000223554842 557485409 /nfs/dbraw/zinc/48/54/09/557485409.db2.gz XPFADLZYGAHADQ-UHFFFAOYSA-N 0 0 426.582 4.424 40 0 IIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000017095717 557486858 /nfs/dbraw/zinc/48/68/58/557486858.db2.gz XNBUDLJXMVZBRK-UHFFFAOYSA-N 0 0 428.330 4.408 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223569378 557487330 /nfs/dbraw/zinc/48/73/30/557487330.db2.gz OFHKULYXVRHKHS-CHWSQXEVSA-N 0 0 445.368 4.034 40 0 IIABRN CCOc1ccccc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000223576107 557487969 /nfs/dbraw/zinc/48/79/69/557487969.db2.gz BOKXNDDSNHCOFF-UHFFFAOYSA-N 0 0 442.581 4.206 40 0 IIABRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc(O)cc1 ZINC000017100356 557488766 /nfs/dbraw/zinc/48/87/66/557488766.db2.gz DIDXVFOQYVLCRG-XMMPIXPASA-N 0 0 436.533 4.266 40 0 IIABRN OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223591850 557489948 /nfs/dbraw/zinc/48/99/48/557489948.db2.gz CYAVQQKOKLHCSF-MOPGFXCFSA-N 0 0 444.354 4.069 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223603537 557490738 /nfs/dbraw/zinc/49/07/38/557490738.db2.gz VXCXZOKRZMMPOI-JOCHJYFZSA-N 0 0 438.568 4.114 40 0 IIABRN CCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000017479916 557492187 /nfs/dbraw/zinc/49/21/87/557492187.db2.gz WCTPPOIBOILCPN-UHFFFAOYSA-N 0 0 434.867 4.080 40 0 IIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000223649711 557497144 /nfs/dbraw/zinc/49/71/44/557497144.db2.gz HOHIIYMRJDWSKA-UHFFFAOYSA-N 0 0 430.288 4.144 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COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3F)C2)o1 ZINC000257278318 568701308 /nfs/dbraw/zinc/70/13/08/568701308.db2.gz OBTILZSTJDURQG-QGZVFWFLSA-N 0 0 442.462 4.337 40 0 IIABRN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccc1C ZINC000257283464 568703956 /nfs/dbraw/zinc/70/39/56/568703956.db2.gz OYLLKODREHOVLF-KLWMKENUSA-N 0 0 431.580 4.395 40 0 IIABRN COc1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1Cl ZINC000257284548 568704081 /nfs/dbraw/zinc/70/40/81/568704081.db2.gz PDCDWTPRPOBDME-UPVQGACJSA-N 0 0 444.959 4.127 40 0 IIABRN Cc1cc2cc(C(=O)N3CCC4(CO[C@@H]([C@@]5(C)CC[C@H](O)C(C)(C)O5)C4)CC3)ccc2o1 ZINC000257287441 568705623 /nfs/dbraw/zinc/70/56/23/568705623.db2.gz PPZLVKOOHAHZNU-SGIRGMQISA-N 0 0 441.568 4.461 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)CC(C)C)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257288696 568706336 /nfs/dbraw/zinc/70/63/36/568706336.db2.gz PVFGNXQILJKZFY-GOSISDBHSA-N 0 0 426.536 4.166 40 0 IIABRN 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CCn1c(CN2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)nc2ccccc21 ZINC000257306740 568714062 /nfs/dbraw/zinc/71/40/62/568714062.db2.gz SVQHRVZOGIHNGM-HSZRJFAPSA-N 0 0 428.540 4.472 40 0 IIABRN COc1ccccc1Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C(C)=O)C3)ccn1 ZINC000257310837 568715659 /nfs/dbraw/zinc/71/56/59/568715659.db2.gz UGVKURPRSIHDEK-CFJXPYFLSA-N 0 0 447.579 4.075 40 0 IIABRN CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CCN(C(=O)c4cccnn4)CC3)C[C@@H]21 ZINC000257315211 568717608 /nfs/dbraw/zinc/71/76/08/568717608.db2.gz VAKGMSJIULVADQ-FXAWDEMLSA-N 0 0 427.932 4.301 40 0 IIABRN CC[C@H](C)C(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CCCC3)c(C)n2n1 ZINC000257319588 568719627 /nfs/dbraw/zinc/71/96/27/568719627.db2.gz VTEDECBJKPHKQE-AOMKIAJQSA-N 0 0 439.604 4.047 40 0 IIABRN CN(C)c1cccc(OCC(=O)N2CCC[C@@H]2c2cncc(Cc3cccc(F)c3)n2)c1 ZINC000257320411 568720238 /nfs/dbraw/zinc/72/02/38/568720238.db2.gz VWROYCPFKUQUSZ-XMMPIXPASA-N 0 0 434.515 4.015 40 0 IIABRN 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GOHSGHSKTGXBAC-YFNKSVMNSA-N 0 0 438.543 4.038 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1 ZINC000019755801 569328572 /nfs/dbraw/zinc/32/85/72/569328572.db2.gz NVQJRHWLGZKVHB-HSZRJFAPSA-N 0 0 444.535 4.342 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1 ZINC000019755336 569328608 /nfs/dbraw/zinc/32/86/08/569328608.db2.gz BWKVEWDXWZCIJV-HSZRJFAPSA-N 0 0 444.535 4.342 40 0 IIABRN CCOc1ccc(-c2nc([C@H](N)c3ccc(OCC)c(OCC)c3)n[nH]2)cc1OCC ZINC000095534630 569374599 /nfs/dbraw/zinc/37/45/99/569374599.db2.gz CSNQOTLTIJTWMN-OAQYLSRUSA-N 0 0 426.517 4.115 40 0 IIABRN Cc1ccc(C(=O)Cn2nc(N)n(Nc3cccc(Br)c3)c2=S)c(C)c1 ZINC000028527544 569410627 /nfs/dbraw/zinc/41/06/27/569410627.db2.gz VFHGOFYQTMOOGS-UHFFFAOYSA-N 0 0 432.347 4.134 40 0 IIABRN CCOC[C@@]1(C(N)=S)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218649323 569458965 /nfs/dbraw/zinc/45/89/65/569458965.db2.gz AXQUOHFDAOCSSP-SVFBPWRDSA-N 0 0 438.014 4.151 40 0 IIABRN Cc1c(Br)cccc1Nc1cc(-c2ccncc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329012055 569583035 /nfs/dbraw/zinc/58/30/35/569583035.db2.gz MIBQWJCSCYKYGK-LJQANCHMSA-N 0 0 442.361 4.782 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329012614 569583331 /nfs/dbraw/zinc/58/33/31/569583331.db2.gz MLBPOQHNOSFNQM-QGZVFWFLSA-N 0 0 435.425 4.869 40 0 IIABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)cc1 ZINC000328957919 569584573 /nfs/dbraw/zinc/58/45/73/569584573.db2.gz AMDIORQBLODTAK-UHFFFAOYSA-N 0 0 434.418 4.589 40 0 IIABRN CCc1ccc(OCC(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000033608196 569584830 /nfs/dbraw/zinc/58/48/30/569584830.db2.gz WZVVTBSYDZMLGY-UHFFFAOYSA-N 0 0 427.551 4.273 40 0 IIABRN COc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccccc3F)c12 ZINC000008300302 291384045 /nfs/dbraw/zinc/38/40/45/291384045.db2.gz GEQFAUSRMNCZNX-DLBZAZTESA-N 0 0 433.483 4.314 40 0 biogenic,in-vitro IIABRN O=C(c1ccncc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccc(C(F)(F)F)c3)ccc12 ZINC000008300260 291386232 /nfs/dbraw/zinc/38/62/32/291386232.db2.gz VTZXUIGZOXFCRG-MAUKXSAKSA-N 0 0 439.437 4.189 40 0 biogenic,in-vitro IIABRN c1cc(-c2ccc(-c3noc([C@@H]4CCCN4Cc4ccc5c(c4)OCO5)n3)cn2)ccn1 ZINC000049155492 291386254 /nfs/dbraw/zinc/38/62/54/291386254.db2.gz DMTRYRJGXQWFLA-FQEVSTJZSA-N 0 0 427.464 4.259 40 0 biogenic,in-vitro IIABRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)NC3CCCCC3)CC2)Oc2ccccc21 ZINC000096243114 193942074 /nfs/dbraw/zinc/94/20/74/193942074.db2.gz ZKNCTWDWBQVJHA-IBGZPJMESA-N 0 0 427.589 4.344 40 0 IIABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096243133 193942510 /nfs/dbraw/zinc/94/25/10/193942510.db2.gz ZNWPPSUQTGJVQB-LJQANCHMSA-N 0 0 436.527 4.426 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 ZINC000223273649 193961119 /nfs/dbraw/zinc/96/11/19/193961119.db2.gz LWFGFEGLXNUZAH-VWLOTQADSA-N 0 0 445.563 4.003 40 0 IIABRN COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223351925 193970142 /nfs/dbraw/zinc/97/01/42/193970142.db2.gz BJYNSFNIPLYJHV-SANMLTNESA-N 0 0 430.548 4.152 40 0 IIABRN COc1cc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)cc(OC)c1OC ZINC000002468531 132254718 /nfs/dbraw/zinc/25/47/18/132254718.db2.gz GGUUAEOKKVATNS-XOBRGWDASA-N 0 0 449.301 4.245 40 0 IIABRN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000006177523 132276545 /nfs/dbraw/zinc/27/65/45/132276545.db2.gz QFHLFVFHJPSHSD-KMQSCTNJSA-N 0 0 431.536 4.140 40 0 IIABRN COc1ccc2nc3sc(C(=O)N4CCN(c5ccccc5F)CC4)c(N)c3cc2c1 ZINC000013503434 132347171 /nfs/dbraw/zinc/34/71/71/132347171.db2.gz ZDSXVGFLJZYURK-UHFFFAOYSA-N 0 0 436.512 4.142 40 0 IIABRN COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2cccc(C)c2C)CC1 ZINC000013503904 132347424 /nfs/dbraw/zinc/34/74/24/132347424.db2.gz UABTYPWWIRUKPB-RUZDIDTESA-N 0 0 446.599 4.325 40 0 IIABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3ccccc3)CC2)c1 ZINC000013504576 132348339 /nfs/dbraw/zinc/34/83/39/132348339.db2.gz WXOHCXZKKJKZFD-SANMLTNESA-N 0 0 438.579 4.250 40 0 IIABRN Cc1cccc(N2CCN([C@@H](c3nnnn3Cc3cccs3)c3ccccc3)CC2)c1C ZINC000013505231 132348698 /nfs/dbraw/zinc/34/86/98/132348698.db2.gz UMXNAILVPHNWGP-XMMPIXPASA-N 0 0 444.608 4.311 40 0 IIABRN Cc1cccc(N2CCN([C@H](c3nnnn3Cc3cccs3)c3ccccc3)CC2)c1C ZINC000013505230 132348723 /nfs/dbraw/zinc/34/87/23/132348723.db2.gz UMXNAILVPHNWGP-DEOSSOPVSA-N 0 0 444.608 4.311 40 0 IIABRN Cc1cccc(C)c1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013680374 132353267 /nfs/dbraw/zinc/35/32/67/132353267.db2.gz LWZRTMKILJBQTN-QFIPXVFZSA-N 0 0 436.533 4.040 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1ccc(Cl)cc1)C(=O)c1csnn1 ZINC000012872459 518746266 /nfs/dbraw/zinc/74/62/66/518746266.db2.gz CRYXTAIHHXNMJM-QGZVFWFLSA-N 0 0 432.933 4.083 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012638116 518746616 /nfs/dbraw/zinc/74/66/16/518746616.db2.gz RVMVYWSVYFFZRL-LJQANCHMSA-N 0 0 444.507 4.115 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869761 518747511 /nfs/dbraw/zinc/74/75/11/518747511.db2.gz OJWAJKFUYJVXQN-SFHVURJKSA-N 0 0 430.480 4.119 40 0 IIABRN CC(C)Oc1ccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022330166 519779038 /nfs/dbraw/zinc/77/90/38/519779038.db2.gz NSYHKWKULWJUTK-UHFFFAOYSA-N 0 0 446.613 4.112 40 0 IIABRN CCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3cc(C)ccc3OC)ccc2s1 ZINC000020448210 519897956 /nfs/dbraw/zinc/89/79/56/519897956.db2.gz ANAUWOUCYGFIEJ-UHFFFAOYSA-N 0 0 432.567 4.183 40 0 IIABRN CCCOc1ccccc1CCCNC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022425283 520473824 /nfs/dbraw/zinc/47/38/24/520473824.db2.gz CPPCRZHICKBHSQ-UHFFFAOYSA-N 0 0 446.613 4.114 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022537749 520794518 /nfs/dbraw/zinc/79/45/18/520794518.db2.gz XXWXQHMMOJYHOI-FQEVSTJZSA-N 0 0 430.614 4.452 40 0 IIABRN CC1=C[C@@H](CNC(=O)c2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442792 520881258 /nfs/dbraw/zinc/88/12/58/520881258.db2.gz VASCDSJPKBSXRZ-ACRUOGEOSA-N 0 0 431.540 4.354 40 0 biogenic,in-vitro IIABRN CCOc1ccc(CC(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)cc1 ZINC000012158888 520936130 /nfs/dbraw/zinc/93/61/30/520936130.db2.gz WLOASCVQWODKSN-UHFFFAOYSA-N 0 0 428.492 4.365 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000020802814 521091837 /nfs/dbraw/zinc/09/18/37/521091837.db2.gz BZGOGUUNBRCPFP-VXKWHMMOSA-N 0 0 435.524 4.206 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C ZINC000022539215 521188618 /nfs/dbraw/zinc/18/86/18/521188618.db2.gz MPAXVJYCTJZCCW-HXUWFJFHSA-N 0 0 446.613 4.207 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000012482353 521283209 /nfs/dbraw/zinc/28/32/09/521283209.db2.gz FMADJVIFXVAKRW-UHFFFAOYSA-N 0 0 429.904 4.261 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012870993 521336993 /nfs/dbraw/zinc/33/69/93/521336993.db2.gz GNVQFCVKAFNROA-QGZVFWFLSA-N 0 0 432.933 4.477 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(C)c1C ZINC000012868896 521339564 /nfs/dbraw/zinc/33/95/64/521339564.db2.gz XDAAXNBIDIBLRK-HXUWFJFHSA-N 0 0 437.569 4.243 40 0 IIABRN CCOc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 ZINC000022395536 521385647 /nfs/dbraw/zinc/38/56/47/521385647.db2.gz ZWHPOWNERXJQNP-UHFFFAOYSA-N 0 0 434.514 4.120 40 0 IIABRN CCN(c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013674447 521483516 /nfs/dbraw/zinc/48/35/16/521483516.db2.gz QDZBZRCWXIEWRI-QGZVFWFLSA-N 0 0 432.611 4.496 40 0 IIABRN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@H](C)CCc1ccccc1)n2CC ZINC000012579264 521533682 /nfs/dbraw/zinc/53/36/82/521533682.db2.gz IDADHMHIIYZJCS-QGZVFWFLSA-N 0 0 439.581 4.463 40 0 IIABRN CCS(=O)(=O)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000012257439 521663011 /nfs/dbraw/zinc/66/30/11/521663011.db2.gz GKFBYVDZULHLEK-GFCCVEGCSA-N 0 0 444.504 4.006 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223177099 521745863 /nfs/dbraw/zinc/74/58/63/521745863.db2.gz BFXNKUMDHFVISK-VWLOTQADSA-N 0 0 432.539 4.453 40 0 IIABRN CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)Cc3ccccc3F)cc2)n1 ZINC000012222404 522339629 /nfs/dbraw/zinc/33/96/29/522339629.db2.gz IWTUTTYDLQKOBY-UHFFFAOYSA-N 0 0 441.510 4.270 40 0 IIABRN CN(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016188461 522519417 /nfs/dbraw/zinc/51/94/17/522519417.db2.gz RVFVSZUQQFPPGI-UHFFFAOYSA-N 0 0 430.913 4.392 40 0 IIABRN CC[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022365914 522683627 /nfs/dbraw/zinc/68/36/27/522683627.db2.gz GGBJWTQNFWGSJV-LJQANCHMSA-N 0 0 426.941 4.129 40 0 IIABRN COC(=O)C(C(=O)OC)[C@@H](c1ccc(Br)cc1)[C@H](C)C(=O)c1ccc(C)cc1 ZINC000015318959 522749777 /nfs/dbraw/zinc/74/97/77/522749777.db2.gz GEFAUBHMESLLAT-KBXCAEBGSA-N 0 0 447.325 4.322 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000223699804 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Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1C ZINC000022342126 525695943 /nfs/dbraw/zinc/69/59/43/525695943.db2.gz CMSHQKIHYWUANT-CQSZACIVSA-N 0 0 429.369 4.254 40 0 IIABRN COc1cccc(-n2c(SCC(=O)N3CCc4ccccc43)nnc2-c2ccncc2)c1 ZINC000035315981 525747125 /nfs/dbraw/zinc/74/71/25/525747125.db2.gz HGRQKPYERPBPHJ-UHFFFAOYSA-N 0 0 443.532 4.019 40 0 IIABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1 ZINC000012870444 525872319 /nfs/dbraw/zinc/87/23/19/525872319.db2.gz HXJBXFRMQWDUAN-QGZVFWFLSA-N 0 0 432.933 4.396 40 0 IIABRN Cc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)c2ccccc2)o1 ZINC000012867970 525874509 /nfs/dbraw/zinc/87/45/09/525874509.db2.gz YPVTVRJMSXBPBM-JOCHJYFZSA-N 0 0 446.532 4.187 40 0 IIABRN Cc1ccsc1[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012872118 525886865 /nfs/dbraw/zinc/88/68/65/525886865.db2.gz RJEPATJXXAULBG-QGZVFWFLSA-N 0 0 446.573 4.346 40 0 IIABRN Cc1ccsc1[C@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012870289 525887352 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555957995 /nfs/dbraw/zinc/95/79/95/555957995.db2.gz HBMVRQVBBYHOAD-UHFFFAOYSA-N 0 0 449.985 4.447 40 0 IIABRN O=C(Nc1ccc(F)c(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408600872 555969130 /nfs/dbraw/zinc/96/91/30/555969130.db2.gz CZDQOTZYJCFNAJ-FQEVSTJZSA-N 0 0 432.904 4.007 40 0 IIABRN CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000408603036 555972255 /nfs/dbraw/zinc/97/22/55/555972255.db2.gz DZODIMIXTAAUNI-UHFFFAOYSA-N 0 0 437.521 4.315 40 0 IIABRN CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000408613178 555978443 /nfs/dbraw/zinc/97/84/43/555978443.db2.gz VSVHWTYRYTYZKQ-UHFFFAOYSA-N 0 0 446.931 4.151 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1C ZINC000408608894 555979494 /nfs/dbraw/zinc/97/94/94/555979494.db2.gz QGJAUKJFEVUQCU-LBPRGKRZSA-N 0 0 431.341 4.006 40 0 IIABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408616429 555987451 /nfs/dbraw/zinc/98/74/51/555987451.db2.gz ZBGRYFGWLLSERF-HNNXBMFYSA-N 0 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ZINC000408638837 556016203 /nfs/dbraw/zinc/01/62/03/556016203.db2.gz TVYYUWJAOHAYAW-UHFFFAOYSA-N 0 0 436.324 4.468 40 0 IIABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccc(NC(C)=O)c1 ZINC000408639194 556016213 /nfs/dbraw/zinc/01/62/13/556016213.db2.gz WDZVZAHHIYJGHD-UHFFFAOYSA-N 0 0 429.933 4.308 40 0 IIABRN CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 ZINC000408640483 556016719 /nfs/dbraw/zinc/01/67/19/556016719.db2.gz IWJDPNYVFDPMRM-LJQANCHMSA-N 0 0 438.524 4.424 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)Cc2ccccc2)cc1 ZINC000408636543 556019280 /nfs/dbraw/zinc/01/92/80/556019280.db2.gz RXHCSSNCGCNXJW-UHFFFAOYSA-N 0 0 442.512 4.054 40 0 IIABRN CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000408636737 556019604 /nfs/dbraw/zinc/01/96/04/556019604.db2.gz UPEXOVAJGMJGCR-UHFFFAOYSA-N 0 0 431.341 4.088 40 0 IIABRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 ZINC000408637208 556020164 /nfs/dbraw/zinc/02/01/64/556020164.db2.gz HMULQHISRYYWIP-UHFFFAOYSA-N 0 0 436.415 4.445 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)c1 ZINC000408645512 556021465 /nfs/dbraw/zinc/02/14/65/556021465.db2.gz LVRYJVBECLQJRV-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN COc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)cc1OC ZINC000408647078 556022492 /nfs/dbraw/zinc/02/24/92/556022492.db2.gz RNOYFAWREFSKNC-UHFFFAOYSA-N 0 0 442.693 4.224 40 0 IIABRN O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc2ccccc21 ZINC000408644511 556024541 /nfs/dbraw/zinc/02/45/41/556024541.db2.gz GGYZBMQJLGZEOE-UHFFFAOYSA-N 0 0 447.512 4.339 40 0 IIABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Br)cc1 ZINC000408644773 556025125 /nfs/dbraw/zinc/02/51/25/556025125.db2.gz HFIOXPBAFUGXPG-UHFFFAOYSA-N 0 0 447.329 4.302 40 0 IIABRN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCCC2=O)cc1C ZINC000408649185 556025606 /nfs/dbraw/zinc/02/56/06/556025606.db2.gz KUIHFJMWXQJSFP-UHFFFAOYSA-N 0 0 447.318 4.389 40 0 IIABRN Cc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000005002386 556027098 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Cc1cccc(CN2CCN(C(=O)c3cc(C)nc4c3cnn4-c3ccccc3F)CC2)c1 ZINC000036615934 556513623 /nfs/dbraw/zinc/51/36/23/556513623.db2.gz VQWJBWQIMPTYBZ-UHFFFAOYSA-N 0 0 443.526 4.134 40 0 IIABRN Cc1c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000030873211 556514053 /nfs/dbraw/zinc/51/40/53/556514053.db2.gz QMVNZKQNOYHMAT-UHFFFAOYSA-N 0 0 438.531 4.299 40 0 IIABRN CC[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 ZINC000031860843 556527123 /nfs/dbraw/zinc/52/71/23/556527123.db2.gz ICBSBTSRZHYVGZ-KITIHOALSA-N 0 0 441.524 4.414 40 0 IIABRN COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000031860898 556527189 /nfs/dbraw/zinc/52/71/89/556527189.db2.gz QBHMXIRXGGQMKW-JQRIVJTKSA-N 0 0 441.524 4.414 40 0 IIABRN Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000015438831 556528166 /nfs/dbraw/zinc/52/81/66/556528166.db2.gz PRJQGOQKVGSECV-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)cc1OC ZINC000032115396 556531464 /nfs/dbraw/zinc/53/14/64/556531464.db2.gz NRYBTFJEQVYXLD-UHFFFAOYSA-N 0 0 426.753 4.007 40 0 IIABRN CC(C)c1cc(I)ccc1NC(=O)COC(=O)c1ccccc1F ZINC000032124890 556533999 /nfs/dbraw/zinc/53/39/99/556533999.db2.gz PDULQXPXLWYPQP-UHFFFAOYSA-N 0 0 441.240 4.349 40 0 IIABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000032126339 556535191 /nfs/dbraw/zinc/53/51/91/556535191.db2.gz PIIAMIMJPIVQCV-UHFFFAOYSA-N 0 0 437.584 4.441 40 0 IIABRN COc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000013615765 556535341 /nfs/dbraw/zinc/53/53/41/556535341.db2.gz UMFXVORNBOMEEL-YBFXNURJSA-N 0 0 437.883 4.162 40 0 IIABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000032126985 556536007 /nfs/dbraw/zinc/53/60/07/556536007.db2.gz HLXNQHIFGLQSKX-UHFFFAOYSA-N 0 0 437.584 4.306 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(Cl)cc2)cc1 ZINC000013632633 556539930 /nfs/dbraw/zinc/53/99/30/556539930.db2.gz JHIHWRFNUSFWRC-UHFFFAOYSA-N 0 0 442.968 4.469 40 0 IIABRN Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1C ZINC000032508745 556540650 /nfs/dbraw/zinc/54/06/50/556540650.db2.gz XXIFANVJEVPLKB-UXHICEINSA-N 0 0 435.014 4.227 40 0 IIABRN COCc1nn2c(ncc3c2C[C@@H](c2ccccc2OC)CC3=O)c1-c1ccc(OC)cc1 ZINC000013638320 556541844 /nfs/dbraw/zinc/54/18/44/556541844.db2.gz WOJFLMCMDQEUKY-QGZVFWFLSA-N 0 0 443.503 4.473 40 0 IIABRN COCc1nn2c(ncc3c2C[C@H](c2ccco2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013638481 556541963 /nfs/dbraw/zinc/54/19/63/556541963.db2.gz DAASIJMZWQKQLX-HNNXBMFYSA-N 0 0 433.464 4.066 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccc(F)cc3F)[C@H]2C1 ZINC000032640418 556544896 /nfs/dbraw/zinc/54/48/96/556544896.db2.gz ALBSEBJRVBJPOL-RDJZCZTQSA-N 0 0 446.903 4.032 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3Cl)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640443 556545117 /nfs/dbraw/zinc/54/51/17/556545117.db2.gz KTXHUOTWMPVSJH-IAGOWNOFSA-N 0 0 445.368 4.408 40 0 IIABRN CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1cc(Cl)c(Cl)cc1Cl ZINC000013669529 556550463 /nfs/dbraw/zinc/55/04/63/556550463.db2.gz WOLGMKREUNMKLU-UHFFFAOYSA-N 0 0 433.744 4.002 40 0 IIABRN Cc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 ZINC000013674026 556553646 /nfs/dbraw/zinc/55/36/46/556553646.db2.gz JXITVLXQMMAYRL-UHFFFAOYSA-N 0 0 428.598 4.087 40 0 IIABRN CCN(c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1)S(C)(=O)=O ZINC000013677762 556555096 /nfs/dbraw/zinc/55/50/96/556555096.db2.gz VKPCUNIMAKUPTI-UHFFFAOYSA-N 0 0 431.739 4.141 40 0 IIABRN CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@@H](CC[C@H](O)CCc2ccccc2)[C@@H](O)C[C@@H]1O ZINC000033838861 556568819 /nfs/dbraw/zinc/56/88/19/556568819.db2.gz GGXICVAJURFBLW-JXYVIQEVSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)N1c1ccc(N2CCOCC2)cc1 ZINC000016138891 556585317 /nfs/dbraw/zinc/58/53/17/556585317.db2.gz POKURTUHCRUQHT-AREMUKBSSA-N 0 0 426.520 4.451 40 0 IIABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(O)cc3)C2=O)cc1Cl ZINC000100901551 556599877 /nfs/dbraw/zinc/59/98/77/556599877.db2.gz KIOTYXJJIYNXKL-VSKRKVRLSA-N 0 0 434.879 4.405 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1C ZINC000016311944 556599894 /nfs/dbraw/zinc/59/98/94/556599894.db2.gz VAMJNBBFDVOFDV-UHFFFAOYSA-N 0 0 437.487 4.286 40 0 IIABRN Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)NCc3cccc(C)c3)C2)c1 ZINC000016349187 556602119 /nfs/dbraw/zinc/60/21/19/556602119.db2.gz LOJPYAXAZGDZMH-DNQXCXABSA-N 0 0 436.600 4.408 40 0 IIABRN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000100932882 556611660 /nfs/dbraw/zinc/61/16/60/556611660.db2.gz ZOJIDIFKCOZITF-SGNDLWITSA-N 0 0 428.488 4.309 40 0 IIABRN NS(=O)(=O)c1ccc(NC(=O)N(c2ccccc2)c2ccccc2)c(Br)c1 ZINC000016487995 556611838 /nfs/dbraw/zinc/61/18/38/556611838.db2.gz LDQJKYJOWBMZMV-UHFFFAOYSA-N 0 0 446.326 4.467 40 0 IIABRN COc1cc(OC)c(NC(=O)CN2CCC(Cn3cnc4ccccc43)CC2)cc1Cl ZINC000038535501 556613754 /nfs/dbraw/zinc/61/37/54/556613754.db2.gz VSBCXRCCFXYKNU-UHFFFAOYSA-N 0 0 442.947 4.058 40 0 IIABRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000016574981 556615625 /nfs/dbraw/zinc/61/56/25/556615625.db2.gz QOHWJQWEFQPIRL-UHFFFAOYSA-N 0 0 440.352 4.480 40 0 IIABRN CC[C@H](NC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000038752400 556615836 /nfs/dbraw/zinc/61/58/36/556615836.db2.gz REMMKXWFSLLNKS-PMACEKPBSA-N 0 0 438.977 4.161 40 0 IIABRN CC(C)C[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000038755742 556617843 /nfs/dbraw/zinc/61/78/43/556617843.db2.gz AJNWZBVEFULOQO-IBGZPJMESA-N 0 0 442.503 4.375 40 0 IIABRN Cc1ccc([C@H](NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038756439 556618098 /nfs/dbraw/zinc/61/80/98/556618098.db2.gz ULSMVHJTCKFLHJ-HYBUGGRVSA-N 0 0 436.577 4.364 40 0 IIABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(OC)cc1 ZINC000038756862 556618658 /nfs/dbraw/zinc/61/86/58/556618658.db2.gz VQRIYBLZKWMJIA-QHCPKHFHSA-N 0 0 444.597 4.305 40 0 IIABRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c(OC)c1 ZINC000016635611 556618881 /nfs/dbraw/zinc/61/88/81/556618881.db2.gz XWADJLBKHOTRCS-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000038772943 556619508 /nfs/dbraw/zinc/61/95/08/556619508.db2.gz OHDFFBKJBLUFOK-QWHCGFSZSA-N 0 0 445.368 4.034 40 0 IIABRN CC(C)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038856769 556625597 /nfs/dbraw/zinc/62/55/97/556625597.db2.gz DPPYQXONIPQSRW-OAQYLSRUSA-N 0 0 430.570 4.273 40 0 IIABRN CCc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000100984736 556633915 /nfs/dbraw/zinc/63/39/15/556633915.db2.gz UNADECRQZGYGGY-SMIHKQSGSA-N 0 0 444.487 4.014 40 0 IIABRN Cc1nn2c(ncc3c(=O)n(NC(=O)c4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040397002 556639193 /nfs/dbraw/zinc/63/91/93/556639193.db2.gz JEPZWUQQRNXZHC-UHFFFAOYSA-N 0 0 447.857 4.196 40 0 IIABRN CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1 ZINC000016756885 556639192 /nfs/dbraw/zinc/63/91/92/556639192.db2.gz CUSIEIOOZHEXBT-JXMROGBWSA-N 0 0 433.555 4.352 40 0 IIABRN COc1ccc(Cn2ccc3nc4nc(C)nn4c(-c4cccc(Cl)c4)c3c2=O)cc1 ZINC000040398364 556640281 /nfs/dbraw/zinc/64/02/81/556640281.db2.gz ASEHANFFJTYWDI-UHFFFAOYSA-N 0 0 431.883 4.125 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)c1 ZINC000017096511 556660214 /nfs/dbraw/zinc/66/02/14/556660214.db2.gz QLKIAIVDRIUOMG-UHFFFAOYSA-N 0 0 429.501 4.231 40 0 IIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000017098803 556663721 /nfs/dbraw/zinc/66/37/21/556663721.db2.gz BFHPEPXKAJERHG-UHFFFAOYSA-N 0 0 434.477 4.034 40 0 IIABRN CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](CC[C@H](O)CCc2ccccc2)[C@@H](O)C[C@@H]1O ZINC000043772331 556665195 /nfs/dbraw/zinc/66/51/95/556665195.db2.gz GGXICVAJURFBLW-LNFGXVROSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000044849475 556670281 /nfs/dbraw/zinc/67/02/81/556670281.db2.gz HSUBJZAHHFJNRU-KRWDZBQOSA-N 0 0 434.989 4.235 40 0 IIABRN CN(C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)C1CCCCC1 ZINC000044880188 556673905 /nfs/dbraw/zinc/67/39/05/556673905.db2.gz LKNADEBSLAQVIA-NRFANRHFSA-N 0 0 448.972 4.087 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1 ZINC000017297863 556674813 /nfs/dbraw/zinc/67/48/13/556674813.db2.gz FMOHWIDCEMLOFR-UHFFFAOYSA-N 0 0 428.941 4.422 40 0 IIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000044900404 556677192 /nfs/dbraw/zinc/67/71/92/556677192.db2.gz ORLGESZYAHBTHF-QFIPXVFZSA-N 0 0 446.569 4.056 40 0 IIABRN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1Cl ZINC000044901037 556677689 /nfs/dbraw/zinc/67/76/89/556677689.db2.gz WCSOCLMSAJCAEI-IBGZPJMESA-N 0 0 434.989 4.262 40 0 IIABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044902035 556678223 /nfs/dbraw/zinc/67/82/23/556678223.db2.gz HNZCVZRCGNBQRC-JPYJTQIMSA-N 0 0 440.540 4.194 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000044905943 556679719 /nfs/dbraw/zinc/67/97/19/556679719.db2.gz URNGEZGOJJAXOF-HTAPYJJXSA-N 0 0 444.597 4.005 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c(C)c1 ZINC000044935090 556682416 /nfs/dbraw/zinc/68/24/16/556682416.db2.gz UVYGJQKHXWSGJQ-JTSKRJEESA-N 0 0 444.597 4.005 40 0 IIABRN COc1ccccc1CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000018076211 556682953 /nfs/dbraw/zinc/68/29/53/556682953.db2.gz BPCUGWKQXZXQCJ-UHFFFAOYSA-N 0 0 438.549 4.101 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000018079338 556683386 /nfs/dbraw/zinc/68/33/86/556683386.db2.gz ZTESNRSHMWEBFC-UHFFFAOYSA-N 0 0 443.396 4.273 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)COc1ccccc1 ZINC000000778387 556693226 /nfs/dbraw/zinc/69/32/26/556693226.db2.gz GUCCBSKXCXGIPH-UHFFFAOYSA-N 0 0 438.505 4.421 40 0 IIABRN CCOc1ccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2ccncc2)cc1 ZINC000000796347 556695129 /nfs/dbraw/zinc/69/51/29/556695129.db2.gz XHCHBUGDRIYOLL-KRWDZBQOSA-N 0 0 437.569 4.221 40 0 IIABRN CCCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccncc1 ZINC000000796399 556695191 /nfs/dbraw/zinc/69/51/91/556695191.db2.gz WRPDRQXBEYWPMA-UHFFFAOYSA-N 0 0 432.347 4.243 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C[C@@H]4CCCO4)C3)cc2N1 ZINC000019083353 556697912 /nfs/dbraw/zinc/69/79/12/556697912.db2.gz QTIRFSGUARRBFN-UOVPBQLFSA-N 0 0 442.526 4.492 40 0 IIABRN Cc1cc(-c2cnc(N3CCC(NC(=O)[C@@H](C)c4ccccc4)CC3)nc2C2CC2)on1 ZINC000019121678 556701188 /nfs/dbraw/zinc/70/11/88/556701188.db2.gz DNVVNWWCKRASFX-KRWDZBQOSA-N 0 0 431.540 4.206 40 0 IIABRN COc1cccc(-c2cccc(CC3(C(=O)NCCn4nc(C)cc4C)CCOCC3)c2)c1 ZINC000257217028 556703093 /nfs/dbraw/zinc/70/30/93/556703093.db2.gz CXDVSKWDAGWJLJ-UHFFFAOYSA-N 0 0 447.579 4.331 40 0 IIABRN Cc1ccc(OCCCC(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c(C)c1 ZINC000019132773 556704630 /nfs/dbraw/zinc/70/46/30/556704630.db2.gz ZEWMBALCFSOHCQ-IBGZPJMESA-N 0 0 432.524 4.036 40 0 IIABRN Cc1cc(C)n(CCNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)n1 ZINC000257326104 556705211 /nfs/dbraw/zinc/70/52/11/556705211.db2.gz WVVGELIPEPSYPB-UHFFFAOYSA-N 0 0 435.543 4.462 40 0 IIABRN Cc1ccc(C2(C(=O)N[C@@H](c3cc(=O)n4nc(-c5cccnc5)cc4[nH]3)C(C)C)CC2)cc1 ZINC000019136852 556706361 /nfs/dbraw/zinc/70/63/61/556706361.db2.gz CHCADIBJONNJNN-XMMPIXPASA-N 0 0 441.535 4.350 40 0 IIABRN Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc(C)cc(N2CCOCC2)n1 ZINC000019141807 556706401 /nfs/dbraw/zinc/70/64/01/556706401.db2.gz ZDXROZOCBWUQMZ-UHFFFAOYSA-N 0 0 430.917 4.171 40 0 IIABRN COc1ccc(CC(=O)N2CC[C@@H](c3cc(-c4ccc(C)cc4)nc(N(C)C)n3)C2)cc1 ZINC000019212184 556709783 /nfs/dbraw/zinc/70/97/83/556709783.db2.gz BCWWILSPYRCSLJ-OAQYLSRUSA-N 0 0 430.552 4.085 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)Cc2cccnc2)C1 ZINC000019212799 556710583 /nfs/dbraw/zinc/71/05/83/556710583.db2.gz JRMNAXBTXBIILI-NDEPHWFRSA-N 0 0 441.575 4.197 40 0 IIABRN O=C(Cc1csc(-c2ccccc2)n1)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257243072 556710694 /nfs/dbraw/zinc/71/06/94/556710694.db2.gz IFJIAOOTPNLHBL-NBGIEHNGSA-N 0 0 449.551 4.157 40 0 IIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)c2cccnc2)CC1 ZINC000257245663 556710975 /nfs/dbraw/zinc/71/09/75/556710975.db2.gz IQNBKOMRNQAGJE-UHFFFAOYSA-N 0 0 445.538 4.489 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@](Cc3ccccc3-c3cncnc3)(C(=O)N(C)C)C2)s1 ZINC000019216888 556712153 /nfs/dbraw/zinc/71/21/53/556712153.db2.gz IUHPAIZTWRCZRM-RUZDIDTESA-N 0 0 448.592 4.067 40 0 IIABRN CSCC[C@@H](NC(=O)c1oc2ccc(C)cc2c1C)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019220442 556715129 /nfs/dbraw/zinc/71/51/29/556715129.db2.gz DSYBMGQJINIPPA-GOSISDBHSA-N 0 0 448.548 4.419 40 0 IIABRN O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cncc(-c3ccccc3F)n2)C1 ZINC000257296136 556716622 /nfs/dbraw/zinc/71/66/22/556716622.db2.gz RBKMJHBRVRSBFD-XMMPIXPASA-N 0 0 430.483 4.297 40 0 IIABRN COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)Cc3cccc(C)c3)n2)cc1 ZINC000019234860 556719397 /nfs/dbraw/zinc/71/93/97/556719397.db2.gz DFPKRDJGPZAGOT-UHFFFAOYSA-N 0 0 426.520 4.288 40 0 IIABRN COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)Cc2cccc(C)c2)CCNC1=O ZINC000019234780 556719437 /nfs/dbraw/zinc/71/94/37/556719437.db2.gz GAWTXJVRMVJNIU-QHCPKHFHSA-N 0 0 442.559 4.030 40 0 IIABRN Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)Cc3ccc(F)cc3)C2)c1 ZINC000019235477 556719927 /nfs/dbraw/zinc/71/99/27/556719927.db2.gz QFRPGOXPMCLIHV-MHZLTWQESA-N 0 0 430.523 4.290 40 0 IIABRN COc1cccc(C(=O)N2CC[C@@](Cc3ccccc3-c3cccc(C)c3)(C(N)=O)C2)c1 ZINC000019235494 556720189 /nfs/dbraw/zinc/72/01/89/556720189.db2.gz VUCULJUAIJYRIY-MHZLTWQESA-N 0 0 428.532 4.231 40 0 IIABRN COc1cccc(C(=O)N2CC[C@](Cc3ccccc3-c3cccc(C)c3)(C(N)=O)C2)c1 ZINC000019235495 556720221 /nfs/dbraw/zinc/72/02/21/556720221.db2.gz VUCULJUAIJYRIY-HHHXNRCGSA-N 0 0 428.532 4.231 40 0 IIABRN CCOc1ccc(N([C@H](C)C(=O)N[C@H](CC)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000260455521 556720729 /nfs/dbraw/zinc/72/07/29/556720729.db2.gz ZWMFJIYEDANDLV-XMSQKQJNSA-N 0 0 432.586 4.124 40 0 IIABRN COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c1 ZINC000019239759 556725689 /nfs/dbraw/zinc/72/56/89/556725689.db2.gz GLUGMNXDYKRIID-JOCHJYFZSA-N 0 0 431.540 4.289 40 0 IIABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N(C)C)c2)cc(N(C)C)n1 ZINC000019240897 556726622 /nfs/dbraw/zinc/72/66/22/556726622.db2.gz NJMOASRPQLZTOR-QHCPKHFHSA-N 0 0 442.567 4.112 40 0 IIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)COc2ccc(F)c(Cl)c2)n1 ZINC000019286861 556728063 /nfs/dbraw/zinc/72/80/63/556728063.db2.gz SQEZUJNHHHWMCI-FQEVSTJZSA-N 0 0 426.879 4.382 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)NC3CCCCC3)cc2c1 ZINC000000880448 556731692 /nfs/dbraw/zinc/73/16/92/556731692.db2.gz DILPGDDKVBSHNM-UHFFFAOYSA-N 0 0 434.540 4.366 40 0 IIABRN COc1ccc2cc(CN(C(=S)NCc3ccco3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000883156 556733459 /nfs/dbraw/zinc/73/34/59/556733459.db2.gz QYQMSSHLAWRARP-UHFFFAOYSA-N 0 0 425.554 4.339 40 0 IIABRN O=C([C@H]1CCCO1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294078 556733699 /nfs/dbraw/zinc/73/36/99/556733699.db2.gz OBUBMCUVNMOPDS-XMSQKQJNSA-N 0 0 447.514 4.306 40 0 IIABRN COc1ccc2cc(CN(Cc3ccco3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000000883261 556734020 /nfs/dbraw/zinc/73/40/20/556734020.db2.gz LSRGSIZQUDPVRB-UHFFFAOYSA-N 0 0 447.560 4.249 40 0 IIABRN O=C(c1ccncc1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294169 556734150 /nfs/dbraw/zinc/73/41/50/556734150.db2.gz RINDWQDDJPZZJM-IBGZPJMESA-N 0 0 440.482 4.446 40 0 IIABRN O=C([C@H]1CCCCO1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294157 556734282 /nfs/dbraw/zinc/73/42/82/556734282.db2.gz DLGKRWXZEOFAPP-PGRDOPGGSA-N 0 0 447.514 4.306 40 0 IIABRN Nc1nc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)cs1 ZINC000019344395 556742134 /nfs/dbraw/zinc/74/21/34/556742134.db2.gz GUFADGJQQOAREA-JTQLQIEISA-N 0 0 439.488 4.282 40 0 IIABRN COC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)cc1 ZINC000000903218 556742782 /nfs/dbraw/zinc/74/27/82/556742782.db2.gz OIUHWIZDRMVMOO-UHFFFAOYSA-N 0 0 434.521 4.325 40 0 IIABRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2CC)cc1 ZINC000000903355 556742893 /nfs/dbraw/zinc/74/28/93/556742893.db2.gz CMWKYQPCHSJKCN-UHFFFAOYSA-N 0 0 442.541 4.015 40 0 IIABRN O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(C(=O)c3cccnc3)CC[C@H]21 ZINC000019347712 556743559 /nfs/dbraw/zinc/74/35/59/556743559.db2.gz GKZMOKCNEGZAJV-KCZVDYSFSA-N 0 0 435.524 4.053 40 0 IIABRN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2c(OC)ccc3ccccc32)c(OC)c1 ZINC000000908808 556744823 /nfs/dbraw/zinc/74/48/23/556744823.db2.gz LWHVZGRQMRTBLV-QHCPKHFHSA-N 0 0 447.491 4.132 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCc2ccccc21 ZINC000000910130 556745096 /nfs/dbraw/zinc/74/50/96/556745096.db2.gz UPPRYIXZUOWHAU-QHCPKHFHSA-N 0 0 442.567 4.429 40 0 IIABRN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C ZINC000013849544 556746093 /nfs/dbraw/zinc/74/60/93/556746093.db2.gz AGLLKAYITAAEJB-CYBMUJFWSA-N 0 0 447.358 4.448 40 0 IIABRN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1cc(OC)ccc1OC ZINC000000916664 556747596 /nfs/dbraw/zinc/74/75/96/556747596.db2.gz AMLUOQJQHHOVDD-UHFFFAOYSA-N 0 0 427.526 4.178 40 0 IIABRN C=COC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Br)cc(Br)c1 ZINC000001085121 556750210 /nfs/dbraw/zinc/75/02/10/556750210.db2.gz YUDLLXOCXFJGDO-ZIAGYGMSSA-N 0 0 429.108 4.419 40 0 IIABRN O=C([C@H]1CCCO1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 ZINC000019373329 556750151 /nfs/dbraw/zinc/75/01/51/556750151.db2.gz CMTOOPOFYWTOSC-JOCHJYFZSA-N 0 0 429.524 4.167 40 0 IIABRN O=C(COc1ccc(F)cc1F)N1CCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376451 556752180 /nfs/dbraw/zinc/75/21/80/556752180.db2.gz KWUUEQLWIJXYDG-SFHVURJKSA-N 0 0 436.418 4.306 40 0 IIABRN CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000000929013 556754686 /nfs/dbraw/zinc/75/46/86/556754686.db2.gz IZVDKWUCLVHHFQ-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)cc1 ZINC000000929742 556755296 /nfs/dbraw/zinc/75/52/96/556755296.db2.gz IGTFWYOGTJNHOH-UHFFFAOYSA-N 0 0 433.537 4.497 40 0 IIABRN Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000000931836 556757278 /nfs/dbraw/zinc/75/72/78/556757278.db2.gz GRLQAYUUGVJFLT-JOCHJYFZSA-N 0 0 435.593 4.201 40 0 IIABRN COc1ccccc1-c1ccc(C[C@]2(C(=O)NC(C)C)CCN(C(=O)C3CCC3)C2)cc1 ZINC000019449073 556759238 /nfs/dbraw/zinc/75/92/38/556759238.db2.gz MVMJGSZAFFOVQN-HHHXNRCGSA-N 0 0 434.580 4.448 40 0 IIABRN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000000933520 556759306 /nfs/dbraw/zinc/75/93/06/556759306.db2.gz IZRZFMBOAUAWHL-MSOLQXFVSA-N 0 0 437.565 4.312 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000019449157 556759370 /nfs/dbraw/zinc/75/93/70/556759370.db2.gz DFJPKWSTRJQBOE-SQHAQQRYSA-N 0 0 434.580 4.209 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)Cc2cccnc2)C1 ZINC000019449264 556759666 /nfs/dbraw/zinc/75/96/66/556759666.db2.gz NCGUWRMLIAFZRI-NDEPHWFRSA-N 0 0 441.575 4.277 40 0 IIABRN CCOc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101197191 556762111 /nfs/dbraw/zinc/76/21/11/556762111.db2.gz NGTLWSVKRQPSLZ-HJOGWXRNSA-N 0 0 428.488 4.445 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000019451779 556762675 /nfs/dbraw/zinc/76/26/75/556762675.db2.gz MZZWMQPBEROVLE-HHHXNRCGSA-N 0 0 444.579 4.411 40 0 IIABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)/C=C/c4cccnc4)C3)cc2n1 ZINC000019452372 556763210 /nfs/dbraw/zinc/76/32/10/556763210.db2.gz FZZPRHLJSYAHPK-SQRWCISFSA-N 0 0 429.446 4.296 40 0 IIABRN CC(C)c1cc(C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)on1 ZINC000019453025 556763669 /nfs/dbraw/zinc/76/36/69/556763669.db2.gz SFAHYPJUNPBIBF-UHFFFAOYSA-N 0 0 434.544 4.172 40 0 IIABRN COc1ccc(OC)c([C@@H](C)NC(=O)CCn2c(-c3ccncc3)cc3cccnc32)c1 ZINC000019458064 556766148 /nfs/dbraw/zinc/76/61/48/556766148.db2.gz YODSTVDRXVBZII-QGZVFWFLSA-N 0 0 430.508 4.383 40 0 IIABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2ccccc2O)cc1 ZINC000001223783 556768853 /nfs/dbraw/zinc/76/88/53/556768853.db2.gz XELBEXCYUZLQTF-UHFFFAOYSA-N 0 0 432.505 4.385 40 0 IIABRN C[C@@H]1CCc2nc(NC(=O)c3cc(C4CCN(C(=O)C5CCCC5)CC4)no3)sc2C1 ZINC000019497193 556769646 /nfs/dbraw/zinc/76/96/46/556769646.db2.gz BKHGFONBXWUVSS-CQSZACIVSA-N 0 0 442.585 4.404 40 0 IIABRN C[C@H]1CCc2nc(NC(=O)c3cc(C4CCN(C(=O)C5CCCC5)CC4)no3)sc2C1 ZINC000019497194 556769717 /nfs/dbraw/zinc/76/97/17/556769717.db2.gz BKHGFONBXWUVSS-AWEZNQCLSA-N 0 0 442.585 4.404 40 0 IIABRN CCC(=O)N1CC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NCc2ccccc2)C1 ZINC000019498477 556770625 /nfs/dbraw/zinc/77/06/25/556770625.db2.gz OZSRYABOFQUCQR-HHHXNRCGSA-N 0 0 427.548 4.236 40 0 IIABRN CCCN1CCN(C(=O)c2ccncc2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000019502713 556773563 /nfs/dbraw/zinc/77/35/63/556773563.db2.gz ATRUWYWEEHUYTL-VWLOTQADSA-N 0 0 427.548 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427.552 4.387 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019696123 556853211 /nfs/dbraw/zinc/85/32/11/556853211.db2.gz AGJVCEBNLGIIQY-JOCHJYFZSA-N 0 0 432.568 4.161 40 0 IIABRN O=C(c1sc2ccccc2c1[C@H]1CN(CC2CCCCC2)CCO1)N1CCOCC1 ZINC000019697855 556855699 /nfs/dbraw/zinc/85/56/99/556855699.db2.gz SZPPVUULEIAHJJ-HXUWFJFHSA-N 0 0 428.598 4.327 40 0 IIABRN CNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)CCO1 ZINC000019697870 556855741 /nfs/dbraw/zinc/85/57/41/556855741.db2.gz ZGHIRFMNNNPRTJ-IBGZPJMESA-N 0 0 440.540 4.323 40 0 IIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1cccc([C@H]2CCc3nncn3C2)c1 ZINC000019699113 556858289 /nfs/dbraw/zinc/85/82/89/556858289.db2.gz IYAIMONIIZVRQA-HNNXBMFYSA-N 0 0 437.352 4.257 40 0 IIABRN CN1C(=O)S/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)C1=O ZINC000408807196 556859185 /nfs/dbraw/zinc/85/91/85/556859185.db2.gz CIHNFGUOQDLIKD-IUXPMGMMSA-N 0 0 448.294 4.423 40 0 IIABRN Cc1ccccc1CN(C)Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 ZINC000019700943 556860675 /nfs/dbraw/zinc/86/06/75/556860675.db2.gz CMYCODHZLQZFGL-HXUWFJFHSA-N 0 0 447.558 4.143 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC(c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)CC2)o1 ZINC000019705670 556862551 /nfs/dbraw/zinc/86/25/51/556862551.db2.gz LLZIQTGYOSNNBR-UHFFFAOYSA-N 0 0 445.567 4.362 40 0 IIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)cc1 ZINC000019705847 556863210 /nfs/dbraw/zinc/86/32/10/556863210.db2.gz OCXMXIZBVJJMRP-FQEVSTJZSA-N 0 0 435.568 4.190 40 0 IIABRN COC(=O)c1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(Cl)cc1 ZINC000408838396 556868134 /nfs/dbraw/zinc/86/81/34/556868134.db2.gz FEPGJXZOVCOGPN-UHFFFAOYSA-N 0 0 448.862 4.027 40 0 IIABRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O)c1ccco1 ZINC000408843457 556869501 /nfs/dbraw/zinc/86/95/01/556869501.db2.gz MTSWHAHJUPXFNH-JLHYYAGUSA-N 0 0 428.194 4.199 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019739385 556877660 /nfs/dbraw/zinc/87/76/60/556877660.db2.gz JYMLBWAVRLBJTN-OAQYLSRUSA-N 0 0 448.611 4.449 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)c2ccccn2)nc2c1CC(=O)N2CC1CCCCC1 ZINC000019740283 556880372 /nfs/dbraw/zinc/88/03/72/556880372.db2.gz PDDMTUONYYKPMO-NRFANRHFSA-N 0 0 433.556 4.017 40 0 IIABRN Cc1nc([C@@H]2CCCCN2Cc2c[nH]nc2C(C)(C)C)nc2c1CCC(=O)N2CC1CC1 ZINC000019741223 556882830 /nfs/dbraw/zinc/88/28/30/556882830.db2.gz MYQQVSBEFNGXSB-FQEVSTJZSA-N 0 0 436.604 4.222 40 0 IIABRN Cc1nc2ccccn2c1CN1CCCC[C@H]1c1nc(C)c2c(n1)N(CC(C)C)C(=O)CC2 ZINC000019741197 556882848 /nfs/dbraw/zinc/88/28/48/556882848.db2.gz NWAJYAJVEDGHQA-NRFANRHFSA-N 0 0 446.599 4.404 40 0 IIABRN Cc1nc([C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)nc2c1CCC(=O)N2C ZINC000019741320 556883236 /nfs/dbraw/zinc/88/32/36/556883236.db2.gz MRFACWPLLWPNAR-GOSISDBHSA-N 0 0 432.572 4.004 40 0 IIABRN Cc1ccc(CC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cc1C ZINC000019741510 556883953 /nfs/dbraw/zinc/88/39/53/556883953.db2.gz JUAPFWICZJQEKU-QFIPXVFZSA-N 0 0 446.595 4.040 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2cccnc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019743128 556887435 /nfs/dbraw/zinc/88/74/35/556887435.db2.gz GXDYQTGHXKQTST-XMMPIXPASA-N 0 0 441.579 4.429 40 0 IIABRN COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1 ZINC000408919632 556891865 /nfs/dbraw/zinc/89/18/65/556891865.db2.gz ZJXBVQZVGHXNGD-LMGFAJPXSA-N 0 0 443.886 4.220 40 0 IIABRN COc1ccccc1N1CCN(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1 ZINC000408923912 556892663 /nfs/dbraw/zinc/89/26/63/556892663.db2.gz HZRLNSCBKKTNIG-UHFFFAOYSA-N 0 0 441.641 4.279 40 0 IIABRN CC(C)c1ccc([C@@H](C)NC(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)cc1 ZINC000019750715 556894744 /nfs/dbraw/zinc/89/47/44/556894744.db2.gz ZCZDSHOTHNPSPH-QGZVFWFLSA-N 0 0 435.499 4.241 40 0 IIABRN Cc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)c2)cc1C ZINC000019751164 556894984 /nfs/dbraw/zinc/89/49/84/556894984.db2.gz IBOJIFLEWQNSMO-HSZRJFAPSA-N 0 0 447.510 4.220 40 0 IIABRN Cc1ccc2c(cc(C(=O)N3CCC[C@H](c4ccc(C(=O)NCC5CC5)cn4)C3)n2C)c1 ZINC000019753585 556897462 /nfs/dbraw/zinc/89/74/62/556897462.db2.gz JRWHELNYCUCWJR-FQEVSTJZSA-N 0 0 430.552 4.041 40 0 IIABRN Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)CC3CCCC3)CC2)n1 ZINC000019754301 556897647 /nfs/dbraw/zinc/89/76/47/556897647.db2.gz XTHAGOPDGXPQPV-UHFFFAOYSA-N 0 0 426.536 4.173 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019754759 556897718 /nfs/dbraw/zinc/89/77/18/556897718.db2.gz PHKCAMZRKNEUAH-QHCPKHFHSA-N 0 0 441.579 4.195 40 0 IIABRN Cc1nccn1CCCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 ZINC000019755898 556899190 /nfs/dbraw/zinc/89/91/90/556899190.db2.gz XTSFJMXWSSGPSN-QFIPXVFZSA-N 0 0 446.555 4.076 40 0 IIABRN Cc1cc(OCC(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)ccc1Cl ZINC000408951966 556899257 /nfs/dbraw/zinc/89/92/57/556899257.db2.gz JJSZUKHXXPGLAN-SFHVURJKSA-N 0 0 430.785 4.054 40 0 IIABRN Cc1nc(CC2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc(N2CCCC2)n1 ZINC000019758695 556902262 /nfs/dbraw/zinc/90/22/62/556902262.db2.gz MLYARKIGLRSYID-UHFFFAOYSA-N 0 0 431.584 4.280 40 0 IIABRN Cc1nc(CC2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)cc(NC2CCCC2)n1 ZINC000019758598 556902363 /nfs/dbraw/zinc/90/23/63/556902363.db2.gz YGDREOSQCCQJDB-JOCHJYFZSA-N 0 0 447.583 4.047 40 0 IIABRN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(C(=O)Cc1ccsc1)CC3)c1cccn1-2 ZINC000072327322 556904311 /nfs/dbraw/zinc/90/43/11/556904311.db2.gz RJXRKQLKZIOUIT-VWLOTQADSA-N 0 0 449.576 4.192 40 0 IIABRN CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2ccccc21 ZINC000019761564 556904967 /nfs/dbraw/zinc/90/49/67/556904967.db2.gz QVXKQUDENFQPLL-LJQANCHMSA-N 0 0 437.584 4.022 40 0 IIABRN O=C(N1CCC2(C[C@@](O)(c3ccc(F)cc3)CO2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000072335660 556908505 /nfs/dbraw/zinc/90/85/05/556908505.db2.gz OPXGUVPEIXRQDE-DEOSSOPVSA-N 0 0 429.919 4.180 40 0 IIABRN CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)N=C(SCC(=O)Nc2ccccc2)N1 ZINC000408986510 556909597 /nfs/dbraw/zinc/90/95/97/556909597.db2.gz CQYIVXVQTDDCAP-SFHVURJKSA-N 0 0 449.363 4.125 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2OC)nc1C ZINC000019765524 556910306 /nfs/dbraw/zinc/91/03/06/556910306.db2.gz JPVHKNWYTUXBBH-LJQANCHMSA-N 0 0 444.963 4.296 40 0 IIABRN COc1ccccc1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2cc(C)no2)CC1 ZINC000072337680 556910541 /nfs/dbraw/zinc/91/05/41/556910541.db2.gz AGSQBIRZHIZNLB-UHFFFAOYSA-N 0 0 433.512 4.043 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)Cc2ccccc2)cc1 ZINC000409005325 556915583 /nfs/dbraw/zinc/91/55/83/556915583.db2.gz UZAOFSABUJHYQW-UHFFFAOYSA-N 0 0 438.549 4.142 40 0 IIABRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1O ZINC000409006519 556916268 /nfs/dbraw/zinc/91/62/68/556916268.db2.gz KETUZZRLENUSLP-WJDWOHSUSA-N 0 0 434.311 4.442 40 0 IIABRN CC(C)c1cc(C(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)[nH]n1 ZINC000072345079 556916589 /nfs/dbraw/zinc/91/65/89/556916589.db2.gz OCFASMDSIUCNQV-UHFFFAOYSA-N 0 0 436.581 4.212 40 0 IIABRN Cc1n[nH]c(C)c1CCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 ZINC000072345444 556917047 /nfs/dbraw/zinc/91/70/47/556917047.db2.gz FAMLLIDVZKTTOX-QFIPXVFZSA-N 0 0 446.555 4.064 40 0 IIABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072346031 556917244 /nfs/dbraw/zinc/91/72/44/556917244.db2.gz POVMANHRNCXIPL-INIZCTEOSA-N 0 0 427.430 4.159 40 0 IIABRN Cc1ccccc1C1=N/C(=C\c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)C(=O)O1 ZINC000409010910 556918204 /nfs/dbraw/zinc/91/82/04/556918204.db2.gz DPMCYMALCOURNI-STZFKDTASA-N 0 0 437.448 4.246 40 0 IIABRN CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)c4ccc5c(c4)nc(C)n5C)C3)c(=O)c12 ZINC000072347740 556919004 /nfs/dbraw/zinc/91/90/04/556919004.db2.gz RFCIPJOHBGMRHV-QGZVFWFLSA-N 0 0 449.580 4.001 40 0 IIABRN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1Cl ZINC000409008960 556919338 /nfs/dbraw/zinc/91/93/38/556919338.db2.gz PGIAIZLXAYYRGI-IIMQCXAKSA-N 0 0 427.888 4.049 40 0 IIABRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 ZINC000409017006 556921692 /nfs/dbraw/zinc/92/16/92/556921692.db2.gz CXTCZNVBVXMVCO-PXLXIMEGSA-N 0 0 441.487 4.105 40 0 IIABRN Cc1c2cc(C)ccc2oc1C(=O)N1CCNC(=O)[C@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000072351872 556922536 /nfs/dbraw/zinc/92/25/36/556922536.db2.gz BLIGUKNCXOMQIT-HSZRJFAPSA-N 0 0 439.515 4.295 40 0 IIABRN CCc1nn2c(nnc3c2ccn(-c2ccc4c(c2)OCO4)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821580 556924702 /nfs/dbraw/zinc/92/47/02/556924702.db2.gz OPBMCMRBDFHVQC-UHFFFAOYSA-N 0 0 445.866 4.040 40 0 IIABRN O=C(COc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353128 556925765 /nfs/dbraw/zinc/92/57/65/556925765.db2.gz QIZXVXOTXGKMMK-LJQANCHMSA-N 0 0 428.414 4.380 40 0 IIABRN COc1cccc(CN(C)CC(=O)N2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)c1 ZINC000072353236 556926071 /nfs/dbraw/zinc/92/60/71/556926071.db2.gz RWCBHOUINZRUQN-DEOSSOPVSA-N 0 0 445.567 4.333 40 0 IIABRN COc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)c(OC)c3)C(=O)O2)cc1 ZINC000409026899 556926407 /nfs/dbraw/zinc/92/64/07/556926407.db2.gz FFRVKZJIFBGEFA-ZHZULCJRSA-N 0 0 429.428 4.268 40 0 IIABRN COc1ccccc1S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353470 556926757 /nfs/dbraw/zinc/92/67/57/556926757.db2.gz MARWGBIAJPRBSY-GOSISDBHSA-N 0 0 438.553 4.106 40 0 IIABRN COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2cc(-c3ccc(N)nc3)cc(C)n2)C1 ZINC000072353615 556927398 /nfs/dbraw/zinc/92/73/98/556927398.db2.gz QTWLIAIMHDMUSW-GOSISDBHSA-N 0 0 432.524 4.071 40 0 IIABRN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000072353719 556927725 /nfs/dbraw/zinc/92/77/25/556927725.db2.gz VYEROLSWZPEMLQ-GOSISDBHSA-N 0 0 435.959 4.421 40 0 IIABRN CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(Cc3ccccc3OC)cc(C)n2)C1 ZINC000072354189 556929363 /nfs/dbraw/zinc/92/93/63/556929363.db2.gz YPAHBUJSAAXGCC-LJQANCHMSA-N 0 0 436.581 4.423 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860135 556932452 /nfs/dbraw/zinc/93/24/52/556932452.db2.gz SMHAGNPAZOXWBS-OAHLLOKOSA-N 0 0 427.353 4.174 40 0 IIABRN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2ccnc3ccccc23)CCO1 ZINC000072370250 556934266 /nfs/dbraw/zinc/93/42/66/556934266.db2.gz XQABTACBHMFPCJ-HXUWFJFHSA-N 0 0 432.549 4.120 40 0 IIABRN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cccc3cccnc32)CCO1 ZINC000072370240 556934314 /nfs/dbraw/zinc/93/43/14/556934314.db2.gz IQUKOUIPEZQDHT-LJQANCHMSA-N 0 0 432.549 4.120 40 0 IIABRN CCOc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)C(=O)O2)cc1 ZINC000409057245 556934637 /nfs/dbraw/zinc/93/46/37/556934637.db2.gz JGYBYBUQWKJGHN-QGOAFFKASA-N 0 0 433.416 4.251 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000019867882 556934872 /nfs/dbraw/zinc/93/48/72/556934872.db2.gz IAQJRJQTBZFBBN-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1)Nc1ccccc1F ZINC000072371252 556937858 /nfs/dbraw/zinc/93/78/58/556937858.db2.gz MSWPETCBKGVDPW-MRXNPFEDSA-N 0 0 442.922 4.252 40 0 IIABRN O=C(c1ccccn1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371287 556937891 /nfs/dbraw/zinc/93/78/91/556937891.db2.gz WSGHVEJNYZPFGE-HNNXBMFYSA-N 0 0 430.430 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449.511 4.312 40 0 IIABRN COc1cccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2S(C)(=O)=O)c1 ZINC000096146476 557176660 /nfs/dbraw/zinc/17/66/60/557176660.db2.gz WTEXQCJHUZDYDX-UHFFFAOYSA-N 0 0 437.521 4.075 40 0 IIABRN CS(=O)(=O)c1ccc2nc(NC(=O)COc3cc(Cl)ccc3Cl)sc2c1 ZINC000000783722 557176725 /nfs/dbraw/zinc/17/67/25/557176725.db2.gz MYYOQMXHLAHKJD-UHFFFAOYSA-N 0 0 431.322 4.024 40 0 IIABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022109548 557177879 /nfs/dbraw/zinc/17/78/79/557177879.db2.gz XILCYKLMPRWWHE-UHFFFAOYSA-N 0 0 446.349 4.435 40 0 IIABRN CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000008903412 557178907 /nfs/dbraw/zinc/17/89/07/557178907.db2.gz VCAUOYMLXNLMAP-UHFFFAOYSA-N 0 0 439.556 4.185 40 0 IIABRN COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)N(C)Cc5ccccn5)n4)n3c2)c1 ZINC000096155456 557179793 /nfs/dbraw/zinc/17/97/93/557179793.db2.gz BCWWCXHYCLTTPK-UHFFFAOYSA-N 0 0 437.503 4.468 40 0 IIABRN CC(C)n1cnc2c1cc(C1CCN(C(=O)c3cccnc3)CC1)nc2-c1cccnc1 ZINC000096155646 557180180 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CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(C)c(C)c1 ZINC000219254438 557233504 /nfs/dbraw/zinc/23/35/04/557233504.db2.gz FGMSQZSGFUKOOT-HSZRJFAPSA-N 0 0 446.588 4.252 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1C ZINC000219269678 557234890 /nfs/dbraw/zinc/23/48/90/557234890.db2.gz FYDOGNJBTMBJEW-ZJSXRUAMSA-N 0 0 442.625 4.155 40 0 IIABRN CCc1ccccc1O[C@H](C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000219296670 557236013 /nfs/dbraw/zinc/23/60/13/557236013.db2.gz UGTUOUQYKZNDDK-CYBMUJFWSA-N 0 0 430.302 4.145 40 0 IIABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000057316833 557239672 /nfs/dbraw/zinc/23/96/72/557239672.db2.gz AYAPYFSEMBMGHD-UHFFFAOYSA-N 0 0 444.373 4.396 40 0 IIABRN CC(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)c3ccn(C)c(=O)c3)CC2)n1 ZINC000100152724 557243783 /nfs/dbraw/zinc/24/37/83/557243783.db2.gz VOHIRDAPXPILDN-KDURUIRLSA-N 0 0 445.567 4.065 40 0 IIABRN CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)CC1 ZINC000100158044 557245287 /nfs/dbraw/zinc/24/52/87/557245287.db2.gz CWNNIGBSANSUPH-NSHGMRRFSA-N 0 0 441.576 4.073 40 0 IIABRN CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CCc2ccc(C)o2)CC1 ZINC000100205062 557247282 /nfs/dbraw/zinc/24/72/82/557247282.db2.gz KSBPRWMQGHKJHH-BGYRXZFFSA-N 0 0 440.588 4.191 40 0 IIABRN CCC(CC)C(=O)N1CCC[C@H]1c1cc2nc(C3CC[NH+](C(C)C)CC3)cc(=O)n2[n-]1 ZINC000100213111 557247758 /nfs/dbraw/zinc/24/77/58/557247758.db2.gz ZROWVOGDUULMAL-NRFANRHFSA-N 0 0 427.593 4.122 40 0 IIABRN Cc1cccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 ZINC000057316679 557249220 /nfs/dbraw/zinc/24/92/20/557249220.db2.gz VLVOIGPIVSZQTO-UHFFFAOYSA-N 0 0 445.869 4.042 40 0 IIABRN CCC1(COP(C)(=O)OCC2(CC)COP(C)(=O)OC2)COP(C)(=O)OC1 ZINC000026892966 557250554 /nfs/dbraw/zinc/25/05/54/557250554.db2.gz WUGSTSBQFHQUJQ-UHFFFAOYSA-N 0 0 448.326 4.375 40 0 IIABRN CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000057615717 557255238 /nfs/dbraw/zinc/25/52/38/557255238.db2.gz 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O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000219748970 557266568 /nfs/dbraw/zinc/26/65/68/557266568.db2.gz HUTFAVUBKCITSQ-KRWDZBQOSA-N 0 0 447.771 4.116 40 0 IIABRN CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000219759926 557267259 /nfs/dbraw/zinc/26/72/59/557267259.db2.gz WENPLCMRSBULFZ-SFTDATJTSA-N 0 0 434.989 4.377 40 0 IIABRN CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000219760490 557267468 /nfs/dbraw/zinc/26/74/68/557267468.db2.gz HWWJGTAOSAVFPF-QFIPXVFZSA-N 0 0 449.016 4.366 40 0 IIABRN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c2)cc1 ZINC000013012757 557268960 /nfs/dbraw/zinc/26/89/60/557268960.db2.gz XZALVWZWYFNMJQ-JLHGSKIFSA-N 0 0 430.570 4.075 40 0 IIABRN COc1ccccc1N1CCN(c2nc3c(cnn3C)c(Nc3cc(C)ccc3C)n2)CC1 ZINC000027666441 557270929 /nfs/dbraw/zinc/27/09/29/557270929.db2.gz RHDDOPBPPMFVIB-UHFFFAOYSA-N 0 0 443.555 4.059 40 0 IIABRN COc1ccc(OC)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1 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4.289 40 0 IIABRN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c(OC)c1 ZINC000016635604 557474980 /nfs/dbraw/zinc/47/49/80/557474980.db2.gz QUTNSJVGLCUWOW-UHFFFAOYSA-N 0 0 440.521 4.374 40 0 IIABRN O=C1NC(=O)[C@H]2[C@H]1Sc1c(sc(=O)n1Cc1ccccc1)[C@@H]2c1c[nH]c2ccccc21 ZINC000016712681 557475563 /nfs/dbraw/zinc/47/55/63/557475563.db2.gz IGFATNASWLSOTD-KZNAEPCWSA-N 0 0 447.541 4.159 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)cc2)cc1OC ZINC000223470761 557475851 /nfs/dbraw/zinc/47/58/51/557475851.db2.gz KPCLZTHFEKFPPI-VKZJTJHYSA-N 0 0 434.492 4.254 40 0 IIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Br)cc1Cl ZINC000017096669 557477169 /nfs/dbraw/zinc/47/71/69/557477169.db2.gz STLFACZGMLTMQL-UHFFFAOYSA-N 0 0 429.723 4.247 40 0 IIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2Cl)CC1 ZINC000017096717 557477446 /nfs/dbraw/zinc/47/74/46/557477446.db2.gz OPEPNJQPXCUHEN-UHFFFAOYSA-N 0 0 429.948 4.115 40 0 IIABRN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2Cl)CC1 ZINC000017096720 557477460 /nfs/dbraw/zinc/47/74/60/557477460.db2.gz NDHBJEJAVDLOPQ-UHFFFAOYSA-N 0 0 429.948 4.296 40 0 IIABRN COc1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000017096839 557477911 /nfs/dbraw/zinc/47/79/11/557477911.db2.gz LWLYWHAAQGXNRF-UHFFFAOYSA-N 0 0 430.460 4.130 40 0 IIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccnc1 ZINC000223488120 557478415 /nfs/dbraw/zinc/47/84/15/557478415.db2.gz MZSKQUYUWFBAAC-ZEQRLZLVSA-N 0 0 440.576 4.452 40 0 IIABRN CCOc1ccc2nc(NC(=O)CN3CCN(c4cccc(Cl)c4)CC3)sc2c1 ZINC000017097282 557478513 /nfs/dbraw/zinc/47/85/13/557478513.db2.gz OIXLAYLNTISYOX-UHFFFAOYSA-N 0 0 430.961 4.109 40 0 IIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1cccnc1 ZINC000223490547 557478858 /nfs/dbraw/zinc/47/88/58/557478858.db2.gz ZBGMNLTTXYQDHV-PKTZIBPZSA-N 0 0 426.549 4.143 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)ccc1C ZINC000223503957 557480055 /nfs/dbraw/zinc/48/00/55/557480055.db2.gz BWKUHMYQZUSLKD-HXUWFJFHSA-N 0 0 426.557 4.024 40 0 IIABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223508384 557480463 /nfs/dbraw/zinc/48/04/63/557480463.db2.gz ZLQVKEZDWJCQLN-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223511034 557480904 /nfs/dbraw/zinc/48/09/04/557480904.db2.gz UOPQZFQJUFFIQM-FQEVSTJZSA-N 0 0 444.597 4.268 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000017099519 557483284 /nfs/dbraw/zinc/48/32/84/557483284.db2.gz KIFHNUOQGXJCTQ-UHFFFAOYSA-N 0 0 435.484 4.003 40 0 IIABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 ZINC000223547733 557484213 /nfs/dbraw/zinc/48/42/13/557484213.db2.gz AIROELMSVWIUEY-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 ZINC000223556101 557485382 /nfs/dbraw/zinc/48/53/82/557485382.db2.gz GQYWWYKFQPDMCJ-XMMPIXPASA-N 0 0 431.536 4.133 40 0 IIABRN O=C(C[C@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017095124 557485484 /nfs/dbraw/zinc/48/54/84/557485484.db2.gz PCVAHIUMOVVXEW-QGZVFWFLSA-N 0 0 426.822 4.115 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000223576497 557487877 /nfs/dbraw/zinc/48/78/77/557487877.db2.gz PBJZFNDABLXPGF-UHFFFAOYSA-N 0 0 429.542 4.254 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)c(Cl)c1Cl ZINC000223577080 557487962 /nfs/dbraw/zinc/48/79/62/557487962.db2.gz BNRFGCZPZPJFQC-UHFFFAOYSA-N 0 0 448.715 4.184 40 0 IIABRN COc1cc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)ccc1NC(=O)c1ccco1 ZINC000017101942 557490767 /nfs/dbraw/zinc/49/07/67/557490767.db2.gz SABWOHFGFJOHIZ-UHFFFAOYSA-N 0 0 438.333 4.358 40 0 IIABRN CCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(N(CC)CC)cc3C)nc2cc1C ZINC000017102718 557491302 /nfs/dbraw/zinc/49/13/02/557491302.db2.gz PPCXCURXFOSEBI-UHFFFAOYSA-N 0 0 438.601 4.497 40 0 IIABRN CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CCC)CC2)c(Cl)c1 ZINC000017103010 557491745 /nfs/dbraw/zinc/49/17/45/557491745.db2.gz GQNWIBQCEOHECI-UHFFFAOYSA-N 0 0 439.025 4.182 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223623530 557493303 /nfs/dbraw/zinc/49/33/03/557493303.db2.gz ZWOWOZHYOCZKFO-UHFFFAOYSA-N 0 0 433.505 4.003 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223645030 557496132 /nfs/dbraw/zinc/49/61/32/557496132.db2.gz IIKNPMMEJMFKFZ-SFTDATJTSA-N 0 0 440.956 4.061 40 0 IIABRN Cc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)c1 ZINC000223646334 557496166 /nfs/dbraw/zinc/49/61/66/557496166.db2.gz MDXFZIGJHJQHRL-UHFFFAOYSA-N 0 0 426.325 4.314 40 0 IIABRN CC(C)c1ccccc1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000223648410 557496863 /nfs/dbraw/zinc/49/68/63/557496863.db2.gz CRBISLLLXASOQD-UHFFFAOYSA-N 0 0 446.613 4.069 40 0 IIABRN CCCn1c2ccc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2sc1=O ZINC000223662666 557498971 /nfs/dbraw/zinc/49/89/71/557498971.db2.gz BOWPVNIXLVDCGR-UHFFFAOYSA-N 0 0 448.610 4.128 40 0 IIABRN COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000019553492 557500632 /nfs/dbraw/zinc/50/06/32/557500632.db2.gz KQMJHSKLWVTLCW-VWLOTQADSA-N 0 0 425.536 4.072 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223685572 557502095 /nfs/dbraw/zinc/50/20/95/557502095.db2.gz WCGOCWIGIMDCHM-VXKWHMMOSA-N 0 0 426.586 4.151 40 0 IIABRN C[C@@H](CNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 ZINC000223692795 557502898 /nfs/dbraw/zinc/50/28/98/557502898.db2.gz TXXWNVGOHDIFEC-IBGZPJMESA-N 0 0 438.549 4.165 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC ZINC000223702915 557504149 /nfs/dbraw/zinc/50/41/49/557504149.db2.gz OSDOKPLHHCZKJK-NRFANRHFSA-N 0 0 426.557 4.106 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000223707394 557504510 /nfs/dbraw/zinc/50/45/10/557504510.db2.gz BTOQFIXZKDNJKZ-ZEQRLZLVSA-N 0 0 448.592 4.333 40 0 IIABRN C[C@@H](CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000223710110 557504845 /nfs/dbraw/zinc/50/48/45/557504845.db2.gz MFTLZNFVDCSTAL-ZDUSSCGKSA-N 0 0 448.894 4.045 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223729076 557506713 /nfs/dbraw/zinc/50/67/13/557506713.db2.gz HFLBJYKIUNAAAN-INIZCTEOSA-N 0 0 434.989 4.135 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 ZINC000223730622 557506990 /nfs/dbraw/zinc/50/69/90/557506990.db2.gz DUUUEFFTZZJOSM-DHIUTWEWSA-N 0 0 434.565 4.106 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC ZINC000223747798 557508590 /nfs/dbraw/zinc/50/85/90/557508590.db2.gz KXXUGLAMRWTUCR-HXUWFJFHSA-N 0 0 446.975 4.451 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)c(Cl)c1Cl ZINC000223758055 557509929 /nfs/dbraw/zinc/50/99/29/557509929.db2.gz KXZDARBKAOOPLP-UHFFFAOYSA-N 0 0 448.715 4.184 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223771309 557511220 /nfs/dbraw/zinc/51/12/20/557511220.db2.gz XTHRJHPYVLGFHC-ZDUSSCGKSA-N 0 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Cn1ncc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)c1C(=O)N1CCCCC1 ZINC000019637304 557522414 /nfs/dbraw/zinc/52/24/14/557522414.db2.gz XGDCCSLXGHZTHN-UHFFFAOYSA-N 0 0 442.903 4.124 40 0 IIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223866770 557522599 /nfs/dbraw/zinc/52/25/99/557522599.db2.gz BEAHSNYAXRBXAN-MRXNPFEDSA-N 0 0 432.923 4.334 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223869572 557523356 /nfs/dbraw/zinc/52/33/56/557523356.db2.gz RTUWSJROUCJGFX-QFIPXVFZSA-N 0 0 446.613 4.434 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC000223872784 557523699 /nfs/dbraw/zinc/52/36/99/557523699.db2.gz FMQFKSUICFYWQM-UHFFFAOYSA-N 0 0 444.597 4.097 40 0 IIABRN CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223922368 557529262 /nfs/dbraw/zinc/52/92/62/557529262.db2.gz JANOSNYDEHAPDB-BJKOFHAPSA-N 0 0 447.608 4.478 40 0 IIABRN CCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000223927836 557529762 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KTKVYFFYBQJHBO-JOCHJYFZSA-N 0 0 430.474 4.481 40 0 IIABRN Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257258765 568692714 /nfs/dbraw/zinc/69/27/14/568692714.db2.gz KVLCIQWEXDNINU-LJQANCHMSA-N 0 0 447.491 4.035 40 0 IIABRN CCOc1cc2c(cc1CNc1cc(-c3c[nH]nc3[C@@H]3CCN(C(C)=O)C3)ccn1)CCC2 ZINC000257259718 568692916 /nfs/dbraw/zinc/69/29/16/568692916.db2.gz KZQOYTJBOYSRNM-OAQYLSRUSA-N 0 0 445.567 4.307 40 0 IIABRN O=C(CCCNc1ncccn1)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257260668 568693201 /nfs/dbraw/zinc/69/32/01/568693201.db2.gz LDVGFCMXTYRHDZ-NRFANRHFSA-N 0 0 436.947 4.067 40 0 IIABRN Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257263139 568694766 /nfs/dbraw/zinc/69/47/66/568694766.db2.gz LOOYYELKYIYNOV-SANMLTNESA-N 0 0 440.547 4.239 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5ccncc5c4)C3)CCOCC2)cc1 ZINC000257267591 568696486 /nfs/dbraw/zinc/69/64/86/568696486.db2.gz MHZDMDBCIRSIHD-QHCPKHFHSA-N 0 0 444.575 4.309 40 0 IIABRN 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Cc1cccnc1Nc1cncc(C2CCN(C(=O)[C@@H](C)Oc3cccc(F)c3)CC2)n1 ZINC000257281014 568702430 /nfs/dbraw/zinc/70/24/30/568702430.db2.gz ONHGCZBSFIECEF-QGZVFWFLSA-N 0 0 435.503 4.236 40 0 IIABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(C(C)C)nn1C)[C@H]2Cc1ccccc1 ZINC000257290632 568707092 /nfs/dbraw/zinc/70/70/92/568707092.db2.gz QDRNUOQZNNWILH-DGCJFVAGSA-N 0 0 448.611 4.159 40 0 IIABRN CCc1nccn1-c1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)cn1 ZINC000257293615 568708344 /nfs/dbraw/zinc/70/83/44/568708344.db2.gz QQJRFBRBVBVUTE-NRFANRHFSA-N 0 0 441.535 4.428 40 0 IIABRN CCOC(=O)[C@@H](c1cccc(Nc2cc(C)[nH]n2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000257294659 568708664 /nfs/dbraw/zinc/70/86/64/568708664.db2.gz QVCUTSSGUHIEOS-HXUWFJFHSA-N 0 0 443.548 4.151 40 0 IIABRN Cc1nnsc1C(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257296008 568709555 /nfs/dbraw/zinc/70/95/55/568709555.db2.gz RAUYLTYAOFJFHA-GOSISDBHSA-N 0 0 448.470 4.065 40 0 IIABRN 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4.144 40 0 IIABRN CCOc1cc(C(=O)Nc2ccccc2OC)cc(I)c1OCC ZINC000108253773 569252878 /nfs/dbraw/zinc/25/28/78/569252878.db2.gz DSNVSOZXOFWUKT-UHFFFAOYSA-N 0 0 441.265 4.350 40 0 IIABRN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCc1ccccc1Cl ZINC000108283728 569253010 /nfs/dbraw/zinc/25/30/10/569253010.db2.gz KUDXFOAESNQXAV-UHFFFAOYSA-N 0 0 430.961 4.111 40 0 IIABRN CC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000109010247 569253407 /nfs/dbraw/zinc/25/34/07/569253407.db2.gz GREQWFCEDPFVSW-SFHVURJKSA-N 0 0 437.005 4.371 40 0 IIABRN Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000108993240 569253435 /nfs/dbraw/zinc/25/34/35/569253435.db2.gz SGAPIJNLBRMDMO-UHFFFAOYSA-N 0 0 438.549 4.108 40 0 IIABRN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccccc4)CC3=O)cc2)cc1 ZINC000138574311 569253952 /nfs/dbraw/zinc/25/39/52/569253952.db2.gz WOUWPYQWQGCFMA-LJQANCHMSA-N 0 0 444.487 4.322 40 0 IIABRN O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000138671430 569254027 /nfs/dbraw/zinc/25/40/27/569254027.db2.gz MLPXCIJDJWCVDX-UHFFFAOYSA-N 0 0 434.292 4.002 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000145485661 569255159 /nfs/dbraw/zinc/25/51/59/569255159.db2.gz QAXDNTQKGQXFHQ-UHFFFAOYSA-N 0 0 425.696 4.191 40 0 IIABRN CC(C)(C)C1=C[C@@H](NC(=O)c2ccccc2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1NC(=O)c1ccccc1 ZINC000575624074 569267819 /nfs/dbraw/zinc/26/78/19/569267819.db2.gz BNEQZLKCGPTLTO-WZYRSQIMSA-N 0 0 448.563 4.090 40 0 IIABRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252513932 569288182 /nfs/dbraw/zinc/28/81/82/569288182.db2.gz AXQUOHFDAOCSSP-ZVDOUQERSA-N 0 0 438.014 4.151 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000008918935 569292347 /nfs/dbraw/zinc/29/23/47/569292347.db2.gz LXQYALUBDQCBBG-OHJZQYHNSA-N 0 0 436.939 4.229 40 0 IIABRN COC(=O)[C@H](Cc1ccc(OCc2ccccc2)c(OC)c1)NC(=O)OCc1ccccc1 ZINC000077272627 569293150 /nfs/dbraw/zinc/29/31/50/569293150.db2.gz YCRQPRYBXXTANN-QFIPXVFZSA-N 0 0 449.503 4.285 40 0 in-vitro IIABRN Cc1cccn2cc(CSc3nnc4n3c3ccccc3c(=O)n4-c3ccccc3)nc12 ZINC000009672184 569297651 /nfs/dbraw/zinc/29/76/51/569297651.db2.gz QPDZEAPVLGPMRK-UHFFFAOYSA-N 0 0 438.516 4.282 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)c1 ZINC000019694652 569326705 /nfs/dbraw/zinc/32/67/05/569326705.db2.gz BHGQZOMNVNDLDS-FQEVSTJZSA-N 0 0 446.551 4.247 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)c2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019742072 569328275 /nfs/dbraw/zinc/32/82/75/569328275.db2.gz VTCBGYOJZUSLDQ-HSZRJFAPSA-N 0 0 440.547 4.284 40 0 IIABRN COc1ccc(NC(=O)c2cnc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc2C)cc1 ZINC000019765196 569328997 /nfs/dbraw/zinc/32/89/97/569328997.db2.gz NOCPOWMJNSRFSV-IBGZPJMESA-N 0 0 430.508 4.066 40 0 IIABRN CCOc1ccccc1C(=O)N1CCC[C@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 ZINC000019765244 569329042 /nfs/dbraw/zinc/32/90/42/569329042.db2.gz XIXFOCSWEGFNSP-IBGZPJMESA-N 0 0 444.535 4.456 40 0 IIABRN CCOC(=O)c1nn(-c2ccccc2)cc1C=CC(=O)Oc1c(C)cc(C)cc1C(C)=O ZINC000096306073 569392160 /nfs/dbraw/zinc/39/21/60/569392160.db2.gz LYWXNIFAOSMUAG-VAWYXSNFSA-N 0 0 432.476 4.487 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-n2cccc2)c1 ZINC000028534802 569410967 /nfs/dbraw/zinc/41/09/67/569410967.db2.gz OQOJZIIYNVFAOG-UHFFFAOYSA-N 0 0 433.537 4.414 40 0 IIABRN CCOC(=O)c1c(=O)[nH]c2cccc3c2c1-c1cccc(NC(=O)c2ccccc2)c1C3=O ZINC000008870472 569480651 /nfs/dbraw/zinc/48/06/51/569480651.db2.gz JCWVAXJBHMLHRI-UHFFFAOYSA-N 0 0 438.439 4.169 40 0 IIABRN Cc1c(Br)cccc1Nc1cc(-c2ccncc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329012054 569583063 /nfs/dbraw/zinc/58/30/63/569583063.db2.gz MIBQWJCSCYKYGK-IBGZPJMESA-N 0 0 442.361 4.782 40 0 IIABRN Cc1c(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000329026561 569583172 /nfs/dbraw/zinc/58/31/72/569583172.db2.gz PMYFPVITJPTERP-IBGZPJMESA-N 0 0 431.462 5.038 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)cc2F)cc(-c2cccnc2)n1 ZINC000329049068 569583285 /nfs/dbraw/zinc/58/32/85/569583285.db2.gz UNNYMPKULUFKJD-GOSISDBHSA-N 0 0 446.324 4.613 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329005189 569583315 /nfs/dbraw/zinc/58/33/15/569583315.db2.gz KWRAJRCFBGANMO-GOSISDBHSA-N 0 0 433.434 4.610 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)cc2F)cc(-c2ccncc2)n1 ZINC000328979209 569583479 /nfs/dbraw/zinc/58/34/79/569583479.db2.gz GEVREKBASIFFEJ-SFHVURJKSA-N 0 0 446.324 4.613 40 0 IIABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](C)CO)n2)ccc1F ZINC000328979598 569583963 /nfs/dbraw/zinc/58/39/63/569583963.db2.gz GHGZRWYVZSUOAV-CYBMUJFWSA-N 0 0 436.409 5.026 40 0 IIABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(N[C@H](CO)C(C)C)n1 ZINC000329034318 569584026 /nfs/dbraw/zinc/58/40/26/569584026.db2.gz QXRHLSHLXPTFNG-CYBMUJFWSA-N 0 0 438.372 4.875 40 0 IIABRN COc1ccc(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000329066331 569584643 /nfs/dbraw/zinc/58/46/43/569584643.db2.gz YAANJVNMJXPBAJ-GOSISDBHSA-N 0 0 447.461 4.738 40 0 IIABRN C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(=O)CC(C)C ZINC000067913739 291377365 /nfs/dbraw/zinc/37/73/65/291377365.db2.gz HQKAYCHMYMSSEQ-ZGTAAAPDSA-N 0 0 428.481 4.472 40 0 endogenous,in-man IIABRN CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000049947081 193921572 /nfs/dbraw/zinc/92/15/72/193921572.db2.gz DJYRHYQGIAEPBZ-RUZDIDTESA-N 0 0 427.460 4.049 40 0 IIABRN O=C(C[C@@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096243146 193942352 /nfs/dbraw/zinc/94/23/52/193942352.db2.gz FCFZZMDDXNWCOH-HXUWFJFHSA-N 0 0 448.563 4.052 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408608703 193976644 /nfs/dbraw/zinc/97/66/44/193976644.db2.gz RWLZINDATSGCMX-UHFFFAOYSA-N 0 0 436.961 4.231 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408617160 193982747 /nfs/dbraw/zinc/98/27/47/193982747.db2.gz IBQUWBJNTGKWBQ-NRFANRHFSA-N 0 0 436.577 4.328 40 0 IIABRN COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408617560 193982985 /nfs/dbraw/zinc/98/29/85/193982985.db2.gz DCHGBDCDAXULLA-UHFFFAOYSA-N 0 0 444.940 4.388 40 0 IIABRN COc1ccc(C2=C(Cl)C(=O)N(c3ccc(OC)cc3)C(=O)C2(Cl)Cl)cc1 ZINC000001584231 132245872 /nfs/dbraw/zinc/24/58/72/132245872.db2.gz PQFCPKSFFVHIPT-UHFFFAOYSA-N 0 0 426.683 4.401 40 0 IIABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccc(F)cc3)CC2)c1C ZINC000013503853 132347455 /nfs/dbraw/zinc/34/74/55/132347455.db2.gz CUGDHPYZHJBZOI-XMMPIXPASA-N 0 0 434.563 4.456 40 0 IIABRN CCOc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000013503894 132347458 /nfs/dbraw/zinc/34/74/58/132347458.db2.gz NOEDPPFMESGWPH-XMMPIXPASA-N 0 0 432.572 4.099 40 0 IIABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccccc3F)CC2)c1C ZINC000013503945 132347469 /nfs/dbraw/zinc/34/74/69/132347469.db2.gz XUEUEDNXNBQJIG-XMMPIXPASA-N 0 0 434.563 4.456 40 0 IIABRN CC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000013503970 132347490 /nfs/dbraw/zinc/34/74/90/132347490.db2.gz JJHOJLJQQSYTIY-FQEVSTJZSA-N 0 0 428.943 4.132 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1 ZINC000013504128 132347744 /nfs/dbraw/zinc/34/77/44/132347744.db2.gz APXCXFCAIFJDLS-XMMPIXPASA-N 0 0 448.615 4.355 40 0 IIABRN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)cc1OC ZINC000013567575 132350477 /nfs/dbraw/zinc/35/04/77/132350477.db2.gz NHQWBVOHMBFWLO-HNNXBMFYSA-N 0 0 443.883 4.006 40 0 IIABRN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013570455 132350648 /nfs/dbraw/zinc/35/06/48/132350648.db2.gz BKGOMQHRXWUCLL-HFSMHLIXSA-N 0 0 434.540 4.110 40 0 IIABRN CC(=O)c1[nH]c(C)c(C(=O)N2CCC(c3nc(C)c(-c4ccnc(C)n4)s3)CC2)c1C ZINC000012186210 518221659 /nfs/dbraw/zinc/22/16/59/518221659.db2.gz FZAPXJHWGLVBMO-UHFFFAOYSA-N 0 0 437.569 4.384 40 0 IIABRN CC(=O)c1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000012472079 518423305 /nfs/dbraw/zinc/42/33/05/518423305.db2.gz IWBJBYWNAHALOS-QFIPXVFZSA-N 0 0 448.548 4.188 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871909 518748927 /nfs/dbraw/zinc/74/89/27/518748927.db2.gz KPJWIXISVQVONR-IBGZPJMESA-N 0 0 444.507 4.115 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1cccc2ccccc21 ZINC000012870704 518749543 /nfs/dbraw/zinc/74/95/43/518749543.db2.gz QNOJHVYHPQVYGZ-NRFANRHFSA-N 0 0 445.548 4.389 40 0 IIABRN CC(C)(C)c1ccc(OCC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1 ZINC000012219948 519038330 /nfs/dbraw/zinc/03/83/30/519038330.db2.gz XHSMEXNHRDYNIP-UHFFFAOYSA-N 0 0 445.563 4.416 40 0 IIABRN CC(=O)NC1(c2ccccc2)CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000012113167 519642302 /nfs/dbraw/zinc/64/23/02/519642302.db2.gz TYUKEPCDTUBRMJ-UHFFFAOYSA-N 0 0 427.548 4.420 40 0 IIABRN CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022394974 520383010 /nfs/dbraw/zinc/38/30/10/520383010.db2.gz LUOALFGSLSPPPJ-SFHVURJKSA-N 0 0 446.613 4.416 40 0 IIABRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000020798618 520477571 /nfs/dbraw/zinc/47/75/71/520477571.db2.gz NBNYCNRRZNQGRI-IBGZPJMESA-N 0 0 426.900 4.477 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl ZINC000022248619 520784798 /nfs/dbraw/zinc/78/47/98/520784798.db2.gz JJUKHBLMZDECPV-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN CCOc1ccc(CCC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 ZINC000012256046 520940931 /nfs/dbraw/zinc/94/09/31/520940931.db2.gz RIJITUQPZLGLRW-SFHVURJKSA-N 0 0 449.526 4.210 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1cc(C)ccc1C ZINC000012869142 521336630 /nfs/dbraw/zinc/33/66/30/521336630.db2.gz HLHHWRKPHZCBDM-HXUWFJFHSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000012867729 521336775 /nfs/dbraw/zinc/33/67/75/521336775.db2.gz LIQBBQYKFIACPM-GOSISDBHSA-N 0 0 430.505 4.272 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)c1csnn1)c1ccc(OC)cc1 ZINC000012870343 521339870 /nfs/dbraw/zinc/33/98/70/521339870.db2.gz PCBKAAXDZZYIHL-GOSISDBHSA-N 0 0 444.582 4.301 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 ZINC000012870594 521346015 /nfs/dbraw/zinc/34/60/15/521346015.db2.gz VSQVGFYZYJEIGM-SFHVURJKSA-N 0 0 443.960 4.279 40 0 IIABRN CCOc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022509101 521500645 /nfs/dbraw/zinc/50/06/45/521500645.db2.gz WBDQFUSNIHDMGB-UHFFFAOYSA-N 0 0 438.549 4.149 40 0 IIABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013674638 521512970 /nfs/dbraw/zinc/51/29/70/521512970.db2.gz CWDMTMYXYWJNJX-KRWDZBQOSA-N 0 0 432.586 4.026 40 0 IIABRN CCOc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000022381124 521527507 /nfs/dbraw/zinc/52/75/07/521527507.db2.gz DVMXCLPHPHISPY-UHFFFAOYSA-N 0 0 446.475 4.198 40 0 IIABRN CCOCCCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccc(C)s1 ZINC000012492048 521703876 /nfs/dbraw/zinc/70/38/76/521703876.db2.gz OWPKCOHLOSAUJG-KRWDZBQOSA-N 0 0 434.524 4.364 40 0 IIABRN CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)s1 ZINC000021280993 521797401 /nfs/dbraw/zinc/79/74/01/521797401.db2.gz UXPNGRYWCIWNAH-UHFFFAOYSA-N 0 0 448.595 4.320 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000020494639 521855881 /nfs/dbraw/zinc/85/58/81/521855881.db2.gz UZAPQYMJKNEMFT-VXKWHMMOSA-N 0 0 432.586 4.143 40 0 IIABRN COc1cc(C)c(C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)cc1OC ZINC000041125423 522185684 /nfs/dbraw/zinc/18/56/84/522185684.db2.gz YETORUJSLFYNNI-NRFANRHFSA-N 0 0 433.504 4.497 40 0 IIABRN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000022258927 522516962 /nfs/dbraw/zinc/51/69/62/522516962.db2.gz VIQLRKDJWJJZAH-INIZCTEOSA-N 0 0 436.961 4.005 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022334749 522685669 /nfs/dbraw/zinc/68/56/69/522685669.db2.gz DZZOTHLEYODNOA-LJQANCHMSA-N 0 0 442.503 4.356 40 0 IIABRN COCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1 ZINC000012327026 522788759 /nfs/dbraw/zinc/78/87/59/522788759.db2.gz YYDNGKYFUZGEBA-UHFFFAOYSA-N 0 0 425.485 4.127 40 0 IIABRN CCc1nnc2sc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nn12 ZINC000020609786 522806985 /nfs/dbraw/zinc/80/69/85/522806985.db2.gz MIIYWPSZQDYQRE-UHFFFAOYSA-N 0 0 439.369 4.363 40 0 IIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020460108 522885744 /nfs/dbraw/zinc/88/57/44/522885744.db2.gz ZMMJDKOZDVSBTP-QFIPXVFZSA-N 0 0 440.521 4.292 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3c(C)ccc(C)c3[nH]c1=O)N(C(=O)C1CC1)CC2 ZINC000035313516 523040511 /nfs/dbraw/zinc/04/05/11/523040511.db2.gz HIUOJKOLMQAKBL-DEOSSOPVSA-N 0 0 432.520 4.046 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3cccc(C)c3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035315611 523041019 /nfs/dbraw/zinc/04/10/19/523041019.db2.gz HZBWEPVWDARRCI-DEOSSOPVSA-N 0 0 432.520 4.128 40 0 IIABRN COc1ccc(-c2noc(-c3ccccc3OCC(=O)N(C)Cc3ccccc3)n2)cc1 ZINC000035476131 523275803 /nfs/dbraw/zinc/27/58/03/523275803.db2.gz BBQOZUGLNUTXLA-UHFFFAOYSA-N 0 0 429.476 4.450 40 0 IIABRN CCn1c2ccccc2nc1N1CCC(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000012116412 523285223 /nfs/dbraw/zinc/28/52/23/523285223.db2.gz FYLXGPPLPSHIFE-KRWDZBQOSA-N 0 0 436.556 4.167 40 0 IIABRN CCn1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)c(=O)c2cc(OC)ccc21 ZINC000022236084 523346926 /nfs/dbraw/zinc/34/69/26/523346926.db2.gz LHUCECAETUHFJR-UHFFFAOYSA-N 0 0 436.489 4.284 40 0 IIABRN COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000022537869 523722084 /nfs/dbraw/zinc/72/20/84/523722084.db2.gz XAYWCBHFGOWJSZ-IBGZPJMESA-N 0 0 444.597 4.286 40 0 IIABRN CCc1ccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2ccccn2)cc1 ZINC000035290484 523867580 /nfs/dbraw/zinc/86/75/80/523867580.db2.gz PVJXPBCDLYQLNE-UHFFFAOYSA-N 0 0 436.566 4.387 40 0 IIABRN COc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Br)cc32)cc1OC ZINC000012486252 523879761 /nfs/dbraw/zinc/87/97/61/523879761.db2.gz QNGCLQUKWHMIQV-UHFFFAOYSA-N 0 0 437.297 4.295 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 ZINC000022341603 524204550 /nfs/dbraw/zinc/20/45/50/524204550.db2.gz FYCOTJDCPYFNTN-CQSZACIVSA-N 0 0 429.369 4.254 40 0 IIABRN COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NC[C@@H]2CCCO2)CCOCC1 ZINC000012231517 524295293 /nfs/dbraw/zinc/29/52/93/524295293.db2.gz PHEPBKFZFDNGAF-FQEVSTJZSA-N 0 0 427.516 4.136 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccncc1 ZINC000035312742 524299777 /nfs/dbraw/zinc/29/97/77/524299777.db2.gz XPSPPPYDRNAVTR-FUHWJXTLSA-N 0 0 437.569 4.125 40 0 IIABRN Cc1cc(C)cc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccnc2)c1 ZINC000035289317 524357178 /nfs/dbraw/zinc/35/71/78/524357178.db2.gz VNUAYCVQEKTBBK-UHFFFAOYSA-N 0 0 429.549 4.355 40 0 IIABRN Cc1ccc(CN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000035833193 524359253 /nfs/dbraw/zinc/35/92/53/524359253.db2.gz VIXQFCPBENTXFW-SOLBZPMBSA-N 0 0 430.397 4.102 40 0 IIABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccccc3C)cc2)S(C)(=O)=O)cc1 ZINC000022231571 524424781 /nfs/dbraw/zinc/42/47/81/524424781.db2.gz MHXSYCGKXBHAHL-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012636702 524508809 /nfs/dbraw/zinc/50/88/09/524508809.db2.gz MGEPYQWVPOHKGC-IBGZPJMESA-N 0 0 426.517 4.288 40 0 IIABRN Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022524979 524522123 /nfs/dbraw/zinc/52/21/23/524522123.db2.gz ZGKMMWQGBUOGRI-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015967148 524722960 /nfs/dbraw/zinc/72/29/60/524722960.db2.gz NBBGGPSRBBCSOX-OAHLLOKOSA-N 0 0 436.961 4.014 40 0 IIABRN COc1ccccc1[C@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccc(C)cc1 ZINC000035311040 524765628 /nfs/dbraw/zinc/76/56/28/524765628.db2.gz JYVGTRAHLZSEGY-HXUWFJFHSA-N 0 0 438.553 4.158 40 0 IIABRN Cc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2cccc(F)c2)c1 ZINC000012870311 524859103 /nfs/dbraw/zinc/85/91/03/524859103.db2.gz PIGBWDNPFVPOKS-OAQYLSRUSA-N 0 0 438.528 4.433 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020491303 524897823 /nfs/dbraw/zinc/89/78/23/524897823.db2.gz JZKDZDBQTGLABR-LJQANCHMSA-N 0 0 434.989 4.262 40 0 IIABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000022537671 524937301 /nfs/dbraw/zinc/93/73/01/524937301.db2.gz ZNCLZXFGRYGZAY-SFHVURJKSA-N 0 0 440.540 4.114 40 0 IIABRN C[C@H]1Cc2cc(C(=O)Nc3ccccc3F)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449488 524979121 /nfs/dbraw/zinc/97/91/21/524979121.db2.gz ADTXPEKIAXCMPV-AWEZNQCLSA-N 0 0 428.460 4.357 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccccc2F)cc1 ZINC000022379376 525011712 /nfs/dbraw/zinc/01/17/12/525011712.db2.gz WXDIZYQPOZTUJA-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000022233486 525070412 /nfs/dbraw/zinc/07/04/12/525070412.db2.gz FPIVNAPKLSNMKP-UHFFFAOYSA-N 0 0 442.512 4.118 40 0 IIABRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022535585 525100028 /nfs/dbraw/zinc/10/00/28/525100028.db2.gz BHNTYVPIJTVUFI-QGZVFWFLSA-N 0 0 444.503 4.033 40 0 IIABRN Cc1ccccc1CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 ZINC000012872637 525105640 /nfs/dbraw/zinc/10/56/40/525105640.db2.gz NOJVSQIDFOWARZ-NRFANRHFSA-N 0 0 436.581 4.187 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022398500 525346225 /nfs/dbraw/zinc/34/62/25/525346225.db2.gz YTYCGMWZXPQXTJ-QFIPXVFZSA-N 0 0 446.613 4.290 40 0 IIABRN Cc1cc2nc(C3CCN(C(=O)[C@H]4C[C@H]5C=C[C@@H]4C54CC4)CC3)cc(C(F)(F)F)n2n1 ZINC000012186736 525669489 /nfs/dbraw/zinc/66/94/89/525669489.db2.gz HIUHHVNALKGLEA-IKGGRYGDSA-N 0 0 430.474 4.365 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2cccc(Cl)c2)o1 ZINC000012637925 525676222 /nfs/dbraw/zinc/67/62/22/525676222.db2.gz NCLVVDCLCRFOBW-KRWDZBQOSA-N 0 0 432.933 4.396 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCc2ccccc2)C(=O)c2csnn2)cc1 ZINC000012638536 525676618 /nfs/dbraw/zinc/67/66/18/525676618.db2.gz PEJYYJZKOBTAGI-NRFANRHFSA-N 0 0 436.581 4.187 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022509721 525692488 /nfs/dbraw/zinc/69/24/88/525692488.db2.gz GGUXDBZNHOTNGR-QGZVFWFLSA-N 0 0 434.989 4.068 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000022361996 525693556 /nfs/dbraw/zinc/69/35/56/525693556.db2.gz MDCHBRBAVNQUGC-CQSZACIVSA-N 0 0 429.369 4.254 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccncc2)c1 ZINC000035288835 525746385 /nfs/dbraw/zinc/74/63/85/525746385.db2.gz ROFMHNALMUSCKU-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(I)cc3)n2)cc1 ZINC000015423149 525875506 /nfs/dbraw/zinc/87/55/06/525875506.db2.gz CPOITBKDYQVXMW-UHFFFAOYSA-N 0 0 433.249 4.221 40 0 IIABRN CSc1ccc(CNC(=O)c2ccc3c(=O)[nH]c4c(-c5ccccc5)nnn4c3c2)cc1 ZINC000021867613 526001604 /nfs/dbraw/zinc/00/16/04/526001604.db2.gz FQBIKEMTUYZGBN-UHFFFAOYSA-N 0 0 441.516 4.302 40 0 IIABRN Cc1ccc2[nH]cc(CCNC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)c2c1 ZINC000012462594 526115136 /nfs/dbraw/zinc/11/51/36/526115136.db2.gz CLHYKPBCCXMSGW-UHFFFAOYSA-N 0 0 427.430 4.388 40 0 biogenic,in-vitro IIABRN C[C@@H](C(=O)N(C)C1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000020455634 526240902 /nfs/dbraw/zinc/24/09/02/526240902.db2.gz TUSKXVFNTDVTML-SFHVURJKSA-N 0 0 430.570 4.425 40 0 IIABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc(CN2CCOCC2)c1 ZINC000022521648 526372475 /nfs/dbraw/zinc/37/24/75/526372475.db2.gz BNPKKEKRLMYGFX-UHFFFAOYSA-N 0 0 439.408 4.489 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)[nH]c3c(-c4ccccc4F)nnn3c2c1 ZINC000021867350 526661866 /nfs/dbraw/zinc/66/18/66/526661866.db2.gz RRRFWTRALSCMAE-UHFFFAOYSA-N 0 0 447.857 4.373 40 0 IIABRN Cc1occc1-c1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)ncc1-c1ccncc1 ZINC000012222833 526796586 /nfs/dbraw/zinc/79/65/86/526796586.db2.gz RKSDYRJCSHFPJQ-UHFFFAOYSA-N 0 0 443.482 4.209 40 0 IIABRN Cc1sc(NC(=O)CN(Cc2cccs2)C(=O)c2ccccc2C)c(C(N)=O)c1C ZINC000035312275 526880937 /nfs/dbraw/zinc/88/09/37/526880937.db2.gz HJCKGBWFPSAOAB-UHFFFAOYSA-N 0 0 441.578 4.115 40 0 IIABRN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000020492761 526913778 /nfs/dbraw/zinc/91/37/78/526913778.db2.gz RVEGXFDPAHDTJG-JOCHJYFZSA-N 0 0 447.000 4.076 40 0 IIABRN Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022928619 526961915 /nfs/dbraw/zinc/96/19/15/526961915.db2.gz YJEBJXKRTJCTKS-QHCPKHFHSA-N 0 0 436.991 4.349 40 0 IIABRN O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000012492462 526990344 /nfs/dbraw/zinc/99/03/44/526990344.db2.gz FAFXFQLTUSYTEU-UHFFFAOYSA-N 0 0 434.876 4.297 40 0 IIABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Sc2nncn2N[C@H]1c1ccc(Cl)cc1 ZINC000022079751 527330956 /nfs/dbraw/zinc/33/09/56/527330956.db2.gz FHFJFBNBKXTWNX-LSDHHAIUSA-N 0 0 439.850 4.348 40 0 IIABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Sc2nncn2N[C@H]1c1ccc(Cl)cc1 ZINC000022079753 527331095 /nfs/dbraw/zinc/33/10/95/527331095.db2.gz FHFJFBNBKXTWNX-GJZGRUSLSA-N 0 0 439.850 4.348 40 0 IIABRN O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1Br ZINC000020494691 527460884 /nfs/dbraw/zinc/46/08/84/527460884.db2.gz AIRYMNZBSACDRD-UHFFFAOYSA-N 0 0 431.311 4.328 40 0 IIABRN O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(Br)c1 ZINC000020457098 527461120 /nfs/dbraw/zinc/46/11/20/527461120.db2.gz XEDAYNJVMNYOKB-UHFFFAOYSA-N 0 0 431.311 4.328 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871926 527516042 /nfs/dbraw/zinc/51/60/42/527516042.db2.gz IGAZQSSIEBQMDH-FQEVSTJZSA-N 0 0 442.516 4.103 40 0 IIABRN O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=S)NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000012644115 527544301 /nfs/dbraw/zinc/54/43/01/527544301.db2.gz LASKRPAMJXOWKM-QKFSPIOFSA-N 0 0 444.689 4.457 40 0 IIABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CC ZINC000034794039 555508483 /nfs/dbraw/zinc/50/84/83/555508483.db2.gz VQDKAJOHDZMQDH-UHFFFAOYSA-N 0 0 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Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)c1C ZINC000408670211 556057542 /nfs/dbraw/zinc/05/75/42/556057542.db2.gz YQKMBHSNIDIIIR-UHFFFAOYSA-N 0 0 447.329 4.357 40 0 IIABRN Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408673277 556062665 /nfs/dbraw/zinc/06/26/65/556062665.db2.gz ZJMUQLCAAGICJV-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc3ccccc32)CC1=O ZINC000408672467 556062860 /nfs/dbraw/zinc/06/28/60/556062860.db2.gz ZHGYZFASTORFOE-OAQYLSRUSA-N 0 0 444.531 4.499 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)c(C)c2)cc1 ZINC000408674654 556065774 /nfs/dbraw/zinc/06/57/74/556065774.db2.gz AYSGXBAZIYACRQ-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)c1 ZINC000408680020 556074553 /nfs/dbraw/zinc/07/45/53/556074553.db2.gz XUKKJSLMKKDVAU-UHFFFAOYSA-N 0 0 438.505 4.016 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000408680305 556074903 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HHLBIJKQPJRWLG-UHFFFAOYSA-N 0 0 446.569 4.299 40 0 IIABRN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000408694425 556096469 /nfs/dbraw/zinc/09/64/69/556096469.db2.gz GOBCJXFBRVTQLM-UHFFFAOYSA-N 0 0 432.611 4.319 40 0 IIABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000408695101 556097080 /nfs/dbraw/zinc/09/70/80/556097080.db2.gz PFOHVLVGVYIGRI-UHFFFAOYSA-N 0 0 432.611 4.373 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1NC(=O)CC ZINC000408697539 556101051 /nfs/dbraw/zinc/10/10/51/556101051.db2.gz KIGUWUSNUFNXSM-UHFFFAOYSA-N 0 0 431.341 4.219 40 0 IIABRN CCOc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000408699432 556101958 /nfs/dbraw/zinc/10/19/58/556101958.db2.gz WVRQFKCPZXFYGR-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000408700335 556102323 /nfs/dbraw/zinc/10/23/23/556102323.db2.gz DICYXRLIHWWDQP-UHFFFAOYSA-N 0 0 444.597 4.475 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1 ZINC000408700542 556102838 /nfs/dbraw/zinc/10/28/38/556102838.db2.gz HQNGNQSPNIXUCY-OAQYLSRUSA-N 0 0 448.629 4.226 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000408701022 556103786 /nfs/dbraw/zinc/10/37/86/556103786.db2.gz QDSAMTNHJYSBRH-UHFFFAOYSA-N 0 0 444.597 4.475 40 0 IIABRN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC ZINC000408701683 556105155 /nfs/dbraw/zinc/10/51/55/556105155.db2.gz CLYQKHSNHLWCJM-UHFFFAOYSA-N 0 0 430.570 4.239 40 0 IIABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3c(F)cccc3F)c2)CC1 ZINC000408703612 556108472 /nfs/dbraw/zinc/10/84/72/556108472.db2.gz UQPJAPWAUGRCGX-UHFFFAOYSA-N 0 0 428.888 4.291 40 0 IIABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000408705348 556113463 /nfs/dbraw/zinc/11/34/63/556113463.db2.gz CTOCVJLWPQMGOD-MRXNPFEDSA-N 0 0 428.485 4.341 40 0 IIABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC2CCC(CC)CC2)cc1 ZINC000408709970 556116339 /nfs/dbraw/zinc/11/63/39/556116339.db2.gz JRNYUDXPTVGNCY-UHFFFAOYSA-N 0 0 435.568 4.203 40 0 IIABRN Cc1cc2nc3s/c(=C\c4ccccc4OC(=O)c4ccccc4)c(=O)n3c2cc1C ZINC000408721317 556148413 /nfs/dbraw/zinc/14/84/13/556148413.db2.gz OQQRQAHIUIXNQW-HMAPJEAMSA-N 0 0 426.497 4.293 40 0 IIABRN CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000008590030 556188544 /nfs/dbraw/zinc/18/85/44/556188544.db2.gz PKHIEEYUXNXRHP-KJXMEXGPSA-N 0 0 438.362 4.142 40 0 aggregator IIABRN Cc1cccc(-c2nnc3s/c(=C\c4ccccc4OCc4ccccc4)c(=O)n32)c1 ZINC000009189339 556252316 /nfs/dbraw/zinc/25/23/16/556252316.db2.gz JDKXOHFTLPGBCY-JCMHNJIXSA-N 0 0 425.513 4.253 40 0 IIABRN CC(C)OC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)c1 ZINC000009198343 556256481 /nfs/dbraw/zinc/25/64/81/556256481.db2.gz WGKIMTIDMYUFOQ-UHFFFAOYSA-N 0 0 430.917 4.421 40 0 IIABRN CCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Br ZINC000013683804 556274878 /nfs/dbraw/zinc/27/48/78/556274878.db2.gz VEIVQZZBUWGDBY-UHFFFAOYSA-N 0 0 425.710 4.260 40 0 IIABRN CC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716132 556287405 /nfs/dbraw/zinc/28/74/05/556287405.db2.gz VOLXMAXTTDUKCR-SFHVURJKSA-N 0 0 439.375 4.249 40 0 IIABRN Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c(C)c1 ZINC000010008709 556320855 /nfs/dbraw/zinc/32/08/55/556320855.db2.gz VYLQXQOSFYVKDH-UHFFFAOYSA-N 0 0 428.598 4.225 40 0 IIABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1N1CCCC1 ZINC000010009883 556321695 /nfs/dbraw/zinc/32/16/95/556321695.db2.gz KIDBZAFGOFKAGW-UHFFFAOYSA-N 0 0 435.977 4.189 40 0 IIABRN Cc1cccc(CCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000010110783 556325689 /nfs/dbraw/zinc/32/56/89/556325689.db2.gz LBKWENSYNUZPJR-HNNXBMFYSA-N 0 0 443.396 4.205 40 0 IIABRN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1C ZINC000010156755 556326799 /nfs/dbraw/zinc/32/67/99/556326799.db2.gz HCCIKTBIYCMOAD-UHFFFAOYSA-N 0 0 433.895 4.061 40 0 IIABRN COc1ccc(-c2c(C(C)C)nn3c2nnc2c3C[C@H](c3ccco3)CC2=O)cc1OC ZINC000010156996 556327241 /nfs/dbraw/zinc/32/72/41/556327241.db2.gz JNMRVLQQMWQCKN-HNNXBMFYSA-N 0 0 432.480 4.438 40 0 IIABRN Cn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccncc1 ZINC000010225883 556327561 /nfs/dbraw/zinc/32/75/61/556327561.db2.gz BWXDCYVGNPLRJQ-UHFFFAOYSA-N 0 0 427.839 4.280 40 0 IIABRN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1OC ZINC000010336216 556332755 /nfs/dbraw/zinc/33/27/55/556332755.db2.gz CLQKBBXSYXZNFW-UHFFFAOYSA-N 0 0 440.521 4.374 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 ZINC000010336287 556332855 /nfs/dbraw/zinc/33/28/55/556332855.db2.gz DTBNQJVMVZTECO-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN CSc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000014135335 556374757 /nfs/dbraw/zinc/37/47/57/556374757.db2.gz VCYYSMBZUCXMEX-UHFFFAOYSA-N 0 0 440.590 4.281 40 0 IIABRN COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)cc1Cn1cccn1 ZINC000012088017 556400981 /nfs/dbraw/zinc/40/09/81/556400981.db2.gz ZJQSJEULXIDBDP-HXUWFJFHSA-N 0 0 441.535 4.090 40 0 IIABRN CCOC(=O)[C@H]1CCCN(c2ccc(NCc3cc4ccc(OCC)cc4[nH]c3=O)cc2)C1 ZINC000012088326 556401269 /nfs/dbraw/zinc/40/12/69/556401269.db2.gz ATNBAJLGNSHTFU-IBGZPJMESA-N 0 0 449.551 4.318 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291821 556411676 /nfs/dbraw/zinc/41/16/76/556411676.db2.gz FUDMGAJBYMSGOD-UHFFFAOYSA-N 0 0 442.459 4.141 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000014463168 556419369 /nfs/dbraw/zinc/41/93/69/556419369.db2.gz FTVKHSJDRSSOHF-UHFFFAOYSA-N 0 0 430.913 4.426 40 0 IIABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1OC ZINC000013025347 556440370 /nfs/dbraw/zinc/44/03/70/556440370.db2.gz DUCLXKNERSBOJA-QHCPKHFHSA-N 0 0 449.507 4.139 40 0 IIABRN Cc1cc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)cc(C)c1Br ZINC000028188611 556444624 /nfs/dbraw/zinc/44/46/24/556444624.db2.gz KSKAPDBHZQNZTJ-UHFFFAOYSA-N 0 0 436.331 4.215 40 0 IIABRN Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)c2)cs1 ZINC000014940502 556459403 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COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000030755621 556504464 /nfs/dbraw/zinc/50/44/64/556504464.db2.gz CGIQRGHNUUOMBO-IBGZPJMESA-N 0 0 444.597 4.224 40 0 IIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030850228 556508460 /nfs/dbraw/zinc/50/84/60/556508460.db2.gz KMYWNXGZRPFRLM-UHFFFAOYSA-N 0 0 446.503 4.305 40 0 IIABRN Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616974 556516555 /nfs/dbraw/zinc/51/65/55/556516555.db2.gz GEPQFFQJIZDAIJ-UHFFFAOYSA-N 0 0 449.917 4.484 40 0 IIABRN COC(=O)C(C(=O)OC)[C@H](c1ccc(Br)cc1)[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000015318949 556519904 /nfs/dbraw/zinc/51/99/04/556519904.db2.gz GEFAUBHMESLLAT-KDOFPFPSSA-N 0 0 447.325 4.322 40 0 IIABRN Cc1nnc(SCC(=O)NCc2cc3cc(Cl)ccc3n2C)n1-c1ccccc1 ZINC000013568319 556520968 /nfs/dbraw/zinc/52/09/68/556520968.db2.gz FMSBVGFNVYURHX-UHFFFAOYSA-N 0 0 425.945 4.129 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581582 556527718 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ZINC000016161823 556586304 /nfs/dbraw/zinc/58/63/04/556586304.db2.gz IJZSWRNBKBXMMI-LZOLKVDOSA-N 0 0 435.343 4.325 40 0 IIABRN COc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)cc1Br ZINC000016226788 556592788 /nfs/dbraw/zinc/59/27/88/556592788.db2.gz PJVDFDXWJNPZGO-UHFFFAOYSA-N 0 0 429.723 4.247 40 0 IIABRN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccc(Br)cc1 ZINC000016428639 556607070 /nfs/dbraw/zinc/60/70/70/556607070.db2.gz YLXBETVDOLCOCJ-LZYBPNLTSA-N 0 0 433.283 4.284 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000016428965 556607083 /nfs/dbraw/zinc/60/70/83/556607083.db2.gz JFFZUWUMIQNSMX-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN O=C(C[C@H](NC(=S)Nc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000016480255 556611359 /nfs/dbraw/zinc/61/13/59/556611359.db2.gz KJIOZTPHJDVDAG-QFIPXVFZSA-N 0 0 448.544 4.219 40 0 IIABRN O=C(OCCN1C(=O)c2cccc3c(Nc4ccccc4)ccc(c32)C1=O)C(F)(F)F ZINC000016490536 556612302 /nfs/dbraw/zinc/61/23/02/556612302.db2.gz FCLMLVYGRVTHQD-UHFFFAOYSA-N 0 0 428.366 4.285 40 0 IIABRN CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 ZINC000038752483 556615895 /nfs/dbraw/zinc/61/58/95/556615895.db2.gz ASEBAIRWYBVQHW-NRFANRHFSA-N 0 0 444.597 4.087 40 0 IIABRN CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000038755395 556617603 /nfs/dbraw/zinc/61/76/03/556617603.db2.gz AKKUVCHAZONRJS-QHCPKHFHSA-N 0 0 446.588 4.271 40 0 IIABRN CC[C@@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000038755200 556617607 /nfs/dbraw/zinc/61/76/07/556617607.db2.gz FQTPPKDSRKNHQG-SFHVURJKSA-N 0 0 429.369 4.197 40 0 IIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000038755658 556617893 /nfs/dbraw/zinc/61/78/93/556617893.db2.gz ZPAONCNZWKKMHJ-LJQANCHMSA-N 0 0 439.002 4.050 40 0 IIABRN COc1ccc(N2CN(CCc3ccc(OC)c(OC)c3)CN=C2c2ccccc2)cc1 ZINC000038784184 556619663 /nfs/dbraw/zinc/61/96/63/556619663.db2.gz FTLVTTBIQGBRNW-UHFFFAOYSA-N 0 0 431.536 4.439 40 0 IIABRN COCc1nn2c(ncc(C(=O)Nc3ccccc3OC)c2C)c1-c1ccc(OC)cc1 ZINC000038829761 556621092 /nfs/dbraw/zinc/62/10/92/556621092.db2.gz XLOCFZOJDYOHFD-UHFFFAOYSA-N 0 0 432.480 4.121 40 0 IIABRN COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038834543 556622439 /nfs/dbraw/zinc/62/24/39/556622439.db2.gz QPYPBZHZYKWSLH-UHFFFAOYSA-N 0 0 431.330 4.086 40 0 IIABRN CC[NH+](CC)CCCNc1nc2cc(C)ccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000016678205 556622930 /nfs/dbraw/zinc/62/29/30/556622930.db2.gz WWSMFNAXXWEANY-UHFFFAOYSA-N 0 0 441.601 4.191 40 0 IIABRN COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000038835145 556623128 /nfs/dbraw/zinc/62/31/28/556623128.db2.gz KTXPCZYGCZKQNC-UHFFFAOYSA-N 0 0 431.330 4.086 40 0 IIABRN COc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)c1 ZINC000514289775 556623989 /nfs/dbraw/zinc/62/39/89/556623989.db2.gz FDIWNERGRHXMJR-WPFOTENUSA-N 0 0 430.614 4.376 40 0 biogenic,in-vitro IIABRN CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000514288699 556624938 /nfs/dbraw/zinc/62/49/38/556624938.db2.gz USESLJONJNLNKQ-CTNGQTDRSA-N 0 0 443.425 4.078 40 0 biogenic,in-vitro IIABRN COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)n2c3ccccc3nc21 ZINC000039963984 556630719 /nfs/dbraw/zinc/63/07/19/556630719.db2.gz VUSAVEUKBVFIIO-GOSISDBHSA-N 0 0 446.429 4.008 40 0 IIABRN CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc(C)cc1 ZINC000039985958 556632445 /nfs/dbraw/zinc/63/24/45/556632445.db2.gz USWDXYRRXLDRKL-UHFFFAOYSA-N 0 0 434.867 4.317 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000039986517 556633004 /nfs/dbraw/zinc/63/30/04/556633004.db2.gz FAMRICGGFZNROX-UHFFFAOYSA-N 0 0 449.331 4.181 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000039986506 556633010 /nfs/dbraw/zinc/63/30/10/556633010.db2.gz ZIDPGPAGWNLAMP-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2SC)cc1Cl ZINC000039986559 556633307 /nfs/dbraw/zinc/63/33/07/556633307.db2.gz SEQBDJOOVIYPPT-UHFFFAOYSA-N 0 0 442.990 4.110 40 0 IIABRN Cc1cccc(C)c1-n1c(C)nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c2c1=S ZINC000040386899 556636048 /nfs/dbraw/zinc/63/60/48/556636048.db2.gz IKIMYMKOMIGQLS-UHFFFAOYSA-N 0 0 429.549 4.326 40 0 IIABRN C[C@@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccc3ccccc3c2)c(=O)[nH]1 ZINC000040385647 556636128 /nfs/dbraw/zinc/63/61/28/556636128.db2.gz VDRSSJLTQKHFPR-CQSZACIVSA-N 0 0 427.533 4.376 40 0 IIABRN COc1ccccc1Cn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O ZINC000040395976 556638695 /nfs/dbraw/zinc/63/86/95/556638695.db2.gz PBJWZXKQZRDTPA-UHFFFAOYSA-N 0 0 431.883 4.125 40 0 IIABRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)c(Cl)cc3OC)n2C)cc1 ZINC000016789020 556641964 /nfs/dbraw/zinc/64/19/64/556641964.db2.gz PTIUTFBAFPBMJT-UHFFFAOYSA-N 0 0 432.933 4.192 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000044883337 556674753 /nfs/dbraw/zinc/67/47/53/556674753.db2.gz YCHBBQKRSFWEOP-CYBMUJFWSA-N 0 0 445.368 4.036 40 0 IIABRN O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000017297600 556674880 /nfs/dbraw/zinc/67/48/80/556674880.db2.gz PFHWZIWONQAAOK-UHFFFAOYSA-N 0 0 441.380 4.141 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000044904930 556679534 /nfs/dbraw/zinc/67/95/34/556679534.db2.gz CWNLMSKLKQKRHI-UHFFFAOYSA-N 0 0 446.931 4.375 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1 ZINC000018009733 556681563 /nfs/dbraw/zinc/68/15/63/556681563.db2.gz GGNQJEWWLIRBOM-UHFFFAOYSA-N 0 0 426.513 4.231 40 0 IIABRN COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1cccc(Br)c1 ZINC000226336929 556684547 /nfs/dbraw/zinc/68/45/47/556684547.db2.gz JDOLZLNPPJFEJI-AATRIKPKSA-N 0 0 441.119 4.298 40 0 IIABRN COc1ccc(-n2c(COc3cccc(C)c3)nnc2SCC(=O)OC(C)C)cc1 ZINC000000650627 556688755 /nfs/dbraw/zinc/68/87/55/556688755.db2.gz QYPQSZXKKDFMBL-UHFFFAOYSA-N 0 0 427.526 4.207 40 0 IIABRN COc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000000780904 556693850 /nfs/dbraw/zinc/69/38/50/556693850.db2.gz GJGRHFGOQHVOPU-OXQOHEQNSA-N 0 0 437.565 4.181 40 0 IIABRN O=C(CCNC(=O)c1ccccc1NC(=O)c1ccco1)Nc1cccc2ccccc21 ZINC000000784744 556694447 /nfs/dbraw/zinc/69/44/47/556694447.db2.gz RTQPCZYZIIIJCB-UHFFFAOYSA-N 0 0 427.460 4.444 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1csnn1 ZINC000000800353 556696379 /nfs/dbraw/zinc/69/63/79/556696379.db2.gz KZZXXIMQSHOWED-HXUWFJFHSA-N 0 0 440.594 4.432 40 0 IIABRN CC(C)(C)c1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)[nH]n1 ZINC000019083589 556697918 /nfs/dbraw/zinc/69/79/18/556697918.db2.gz RUKGVJJCVFROHM-UHFFFAOYSA-N 0 0 445.571 4.153 40 0 IIABRN CC(C)(C)c1cc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)n2n1 ZINC000019084195 556698518 /nfs/dbraw/zinc/69/85/18/556698518.db2.gz HIBXIWIECLRQRT-AWEZNQCLSA-N 0 0 431.462 4.460 40 0 IIABRN CCC(=O)Oc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OC ZINC000000818003 556698937 /nfs/dbraw/zinc/69/89/37/556698937.db2.gz APVCAAPPPRYCEQ-DHDCSXOGSA-N 0 0 430.254 4.118 40 0 IIABRN CCC(=O)Oc1c(Br)cc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC ZINC000000835780 556700725 /nfs/dbraw/zinc/70/07/25/556700725.db2.gz CNYRJCJEGYRHRC-WQLSENKSSA-N 0 0 436.283 4.179 40 0 IIABRN COc1ccccc1CC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@H]1OCCC[C@@H]12 ZINC000257201563 556700973 /nfs/dbraw/zinc/70/09/73/556700973.db2.gz AIDYSGMMEBPKGJ-GBXCKJPGSA-N 0 0 437.536 4.168 40 0 IIABRN COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019121807 556701217 /nfs/dbraw/zinc/70/12/17/556701217.db2.gz HJQYKOSOONWSTK-HXUWFJFHSA-N 0 0 449.555 4.201 40 0 IIABRN COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019121810 556701229 /nfs/dbraw/zinc/70/12/29/556701229.db2.gz HJQYKOSOONWSTK-FQEVSTJZSA-N 0 0 449.555 4.201 40 0 IIABRN COc1ccccc1C(=O)N1CCC(c2nc(NC(C)C)ncc2-c2cc(C)no2)CC1 ZINC000019123040 556701918 /nfs/dbraw/zinc/70/19/18/556701918.db2.gz JLOFUKLCEOJCDH-UHFFFAOYSA-N 0 0 435.528 4.289 40 0 IIABRN CCCn1c(CN2CCNC(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)nc2ccccc21 ZINC000257206828 556701984 /nfs/dbraw/zinc/70/19/84/556701984.db2.gz BFAYZZVRYBGICN-VWLOTQADSA-N 0 0 439.563 4.051 40 0 IIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)CCCc4ccncc4)C3)cc(C(F)(F)F)n2n1 ZINC000019129033 556704072 /nfs/dbraw/zinc/70/40/72/556704072.db2.gz JRHWKCXFYKLHLP-QGZVFWFLSA-N 0 0 431.462 4.180 40 0 IIABRN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c(C)c1 ZINC000019132669 556704678 /nfs/dbraw/zinc/70/46/78/556704678.db2.gz RSIYNAVQBOGHOF-MRXNPFEDSA-N 0 0 438.553 4.096 40 0 IIABRN O=C(CN1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)O2)N(c1ccccc1)c1ccccc1 ZINC000257327324 556705148 /nfs/dbraw/zinc/70/51/48/556705148.db2.gz XAYICRCPLIABAC-HHHXNRCGSA-N 0 0 441.531 4.448 40 0 IIABRN O=C(NCC[C@H]1CCCCN1C(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 ZINC000257334361 556706293 /nfs/dbraw/zinc/70/62/93/556706293.db2.gz YFOKRISHMFDGPF-JOCHJYFZSA-N 0 0 429.524 4.035 40 0 IIABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013648402 556707411 /nfs/dbraw/zinc/70/74/11/556707411.db2.gz FSPQQKSLNXBBCG-FSSWDIPSSA-N 0 0 434.879 4.400 40 0 IIABRN O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@]2(CN(c3ccccc3)C(=O)O2)C1 ZINC000257342361 556707397 /nfs/dbraw/zinc/70/73/97/556707397.db2.gz ZOGZIGZNSGDTAM-SANMLTNESA-N 0 0 428.488 4.222 40 0 IIABRN O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccccc2F)C1 ZINC000257230295 556708941 /nfs/dbraw/zinc/70/89/41/556708941.db2.gz GBPPZVDZAKTJER-JWQCQUIFSA-N 0 0 434.511 4.210 40 0 IIABRN Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)cc2)cc1 ZINC000019212412 556709775 /nfs/dbraw/zinc/70/97/75/556709775.db2.gz MGHBLJPERWIZRP-MHZLTWQESA-N 0 0 444.579 4.459 40 0 IIABRN Cc1ccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)c4cnccn4)C3)cc2)cc1 ZINC000019212452 556709974 /nfs/dbraw/zinc/70/99/74/556709974.db2.gz RORASYLXOVVKJW-MHZLTWQESA-N 0 0 442.563 4.005 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244618 556710630 /nfs/dbraw/zinc/71/06/30/556710630.db2.gz IMCMMOVBELFYBH-GMAHTHKFSA-N 0 0 448.485 4.484 40 0 IIABRN O=C(CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244616 556710678 /nfs/dbraw/zinc/71/06/78/556710678.db2.gz IMCMMOVBELFYBH-FYYLOGMGSA-N 0 0 448.485 4.484 40 0 IIABRN Cc1nc2cc(CCC(=O)N3[C@H](Cc4ccccc4)C[C@]4(C)NC(=O)CCC[C@H]34)ccc2[nH]1 ZINC000257256548 556711992 /nfs/dbraw/zinc/71/19/92/556711992.db2.gz KLYJUFVREOBGIH-QURRFSBHSA-N 0 0 444.579 4.075 40 0 IIABRN Cc1ccc(-c2ccccc2NC(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)o1 ZINC000019216760 556712195 /nfs/dbraw/zinc/71/21/95/556712195.db2.gz YFSKQDRGQUCDFM-UHFFFAOYSA-N 0 0 441.491 4.375 40 0 IIABRN Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000019217967 556713123 /nfs/dbraw/zinc/71/31/23/556713123.db2.gz OGZHYLCLTKIVFL-LJQANCHMSA-N 0 0 429.524 4.487 40 0 IIABRN CC(C)NC(=O)c1cccc(-c2ccccc2CC2(C(=O)NCC3CC3)CCOCC2)c1 ZINC000257274349 556714063 /nfs/dbraw/zinc/71/40/63/556714063.db2.gz NKQFFZOTDZNDMD-UHFFFAOYSA-N 0 0 434.580 4.357 40 0 IIABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@H](C)Cn4cncn4)C3)c(-c3ccncc3)c2c1 ZINC000019220126 556714476 /nfs/dbraw/zinc/71/44/76/556714476.db2.gz KSKDTFNKGRTSKE-UYAOXDASSA-N 0 0 428.540 4.172 40 0 IIABRN O=C(c1cccc(Cc2cccc(F)c2)n1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000257291933 556716363 /nfs/dbraw/zinc/71/63/63/556716363.db2.gz QJHRIHSHWYOOBX-RUZDIDTESA-N 0 0 431.467 4.053 40 0 IIABRN O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@]2(CN(c3ccccc3)C(=O)O2)C1 ZINC000257293407 556716712 /nfs/dbraw/zinc/71/67/12/556716712.db2.gz QPIQXFQONAZOJU-SANMLTNESA-N 0 0 443.503 4.298 40 0 IIABRN O=C(CCc1c[nH]c2ccccc12)N1CCO[C@H](c2cncc(-c3ccccc3F)n2)C1 ZINC000257296135 556716824 /nfs/dbraw/zinc/71/68/24/556716824.db2.gz RBKMJHBRVRSBFD-DEOSSOPVSA-N 0 0 430.483 4.297 40 0 IIABRN CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)Cc2cccnc2)CC1 ZINC000257297091 556717058 /nfs/dbraw/zinc/71/70/58/556717058.db2.gz RFULXXMTQLGKQO-UHFFFAOYSA-N 0 0 441.575 4.231 40 0 IIABRN CNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)c2ccncc2)CC1 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433.531 4.118 40 0 IIABRN CC(C)c1ccc(CN2Cc3cn(C)nc3[C@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000019701250 556861144 /nfs/dbraw/zinc/86/11/44/556861144.db2.gz CSXYDQQXIPHCSG-XMMPIXPASA-N 0 0 434.559 4.141 40 0 IIABRN O=C(c1cccnc1)N1CCC[C@@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000019703603 556861862 /nfs/dbraw/zinc/86/18/62/556861862.db2.gz NRMSHADXWPILPK-HXUWFJFHSA-N 0 0 430.430 4.422 40 0 IIABRN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1 ZINC000019705932 556863596 /nfs/dbraw/zinc/86/35/96/556863596.db2.gz ASEUIYJFTSSUOA-IBGZPJMESA-N 0 0 439.531 4.020 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)CC3CCCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706608 556864955 /nfs/dbraw/zinc/86/49/55/556864955.db2.gz GSLIKWHAUZIBBQ-QFIPXVFZSA-N 0 0 447.627 4.462 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 ZINC000019706906 556865648 /nfs/dbraw/zinc/86/56/48/556865648.db2.gz VRUAWGPDMPLDNS-LJQANCHMSA-N 0 0 437.588 4.387 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)c3csc(Cc4ccccc4)n3)C2)nc2c1CCCN2C ZINC000019706916 556865662 /nfs/dbraw/zinc/86/56/62/556865662.db2.gz PSQBJFAKPKCNBY-IBGZPJMESA-N 0 0 447.608 4.235 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4nc(C)c5c(n4)N(CC4CC4)CCC5)C3)c2c1 ZINC000019707011 556866052 /nfs/dbraw/zinc/86/60/52/556866052.db2.gz NJFREHVFSOBRDE-IBGZPJMESA-N 0 0 444.583 4.152 40 0 IIABRN CCn1cc(CN2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)c(C)n1 ZINC000019711163 556875214 /nfs/dbraw/zinc/87/52/14/556875214.db2.gz QDVHLXLWQSBDJT-XMMPIXPASA-N 0 0 435.547 4.321 40 0 IIABRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(C)n2)CC(=O)N3CC2CCCCC2)cn1 ZINC000019739767 556878799 /nfs/dbraw/zinc/87/87/99/556878799.db2.gz OYEVXWXAAXKGAO-JOCHJYFZSA-N 0 0 447.583 4.325 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)CCc2ccccc2)nc2c1CCC(=O)N2CC(C)C ZINC000019740507 556880571 /nfs/dbraw/zinc/88/05/71/556880571.db2.gz SKKMSVUMNKMZHW-QFIPXVFZSA-N 0 0 434.584 4.407 40 0 IIABRN Cc1c(CN2CCC[C@@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)cnn1C ZINC000019740638 556881111 /nfs/dbraw/zinc/88/11/11/556881111.db2.gz OZVJSAWECKBTDI-JOCHJYFZSA-N 0 0 436.604 4.024 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019740706 556881428 /nfs/dbraw/zinc/88/14/28/556881428.db2.gz TTYQIFDDNSUEDB-NRFANRHFSA-N 0 0 436.531 4.257 40 0 IIABRN Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)c1 ZINC000019740938 556882048 /nfs/dbraw/zinc/88/20/48/556882048.db2.gz PVXPEYARAKRXDP-JOCHJYFZSA-N 0 0 434.584 4.325 40 0 IIABRN O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408907747 556885002 /nfs/dbraw/zinc/88/50/02/556885002.db2.gz QMXSIUXCMOVQFR-UHFFFAOYSA-N 0 0 445.338 4.431 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)c2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019742065 556885683 /nfs/dbraw/zinc/88/56/83/556885683.db2.gz XGEAYSULONHQIR-JOCHJYFZSA-N 0 0 426.520 4.242 40 0 IIABRN Cc1ccc(N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000408921763 556891232 /nfs/dbraw/zinc/89/12/32/556891232.db2.gz 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Cc1nc(CC2CCN(C(=O)CCc3ccc4c(c3)C[C@H](C)O4)CC2)cc(N2CCCC2)n1 ZINC000019758780 556902435 /nfs/dbraw/zinc/90/24/35/556902435.db2.gz OMJYEEXNCKVEPJ-IBGZPJMESA-N 0 0 448.611 4.123 40 0 IIABRN Cc1cc(C)nc(N2CC[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)n1 ZINC000019761008 556904352 /nfs/dbraw/zinc/90/43/52/556904352.db2.gz GJFAKCLGIWSKBZ-MRXNPFEDSA-N 0 0 430.537 4.344 40 0 IIABRN COc1cccc2cc(CN3CCO[C@H](c4cc(C(=O)N(C)C)c5ccccc5n4)C3)oc21 ZINC000019762294 556906633 /nfs/dbraw/zinc/90/66/33/556906633.db2.gz LYKJGPJJIPHFQE-DEOSSOPVSA-N 0 0 445.519 4.265 40 0 IIABRN CC(C)CNC(=O)c1cc([C@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)nc2ccccc21 ZINC000019762417 556906886 /nfs/dbraw/zinc/90/68/86/556906886.db2.gz XJPXSRVSVOJUOE-HSZRJFAPSA-N 0 0 449.599 4.215 40 0 IIABRN Cc1cc(-c2cc(=O)n(CC(=O)c3cn(C)c4ccccc34)nc2-c2cccs2)on1 ZINC000072337036 556909781 /nfs/dbraw/zinc/90/97/81/556909781.db2.gz JURHDVUVRQEWHY-UHFFFAOYSA-N 0 0 430.489 4.310 40 0 IIABRN CCSC1=N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408989471 556910823 /nfs/dbraw/zinc/91/08/23/556910823.db2.gz KUQNYEBTWIXNEA-FQEVSTJZSA-N 0 0 441.553 4.379 40 0 IIABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1F ZINC000409002888 556914354 /nfs/dbraw/zinc/91/43/54/556914354.db2.gz CASDZZYEYFINCL-UHFFFAOYSA-N 0 0 432.904 4.309 40 0 IIABRN COc1ccc(C(=O)CN2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)cc1NC(C)=O ZINC000072341868 556914331 /nfs/dbraw/zinc/91/43/31/556914331.db2.gz DHJAAGLOHBXZNS-UHFFFAOYSA-N 0 0 434.536 4.394 40 0 IIABRN Cc1cc(Br)c(NC(=O)[C@H]2CCC(=O)N2C(=O)OCc2ccccc2)cc1C ZINC000409005063 556915638 /nfs/dbraw/zinc/91/56/38/556915638.db2.gz YYOWCBQZSSWWKD-GOSISDBHSA-N 0 0 445.313 4.332 40 0 IIABRN CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)CC1 ZINC000072345044 556916631 /nfs/dbraw/zinc/91/66/31/556916631.db2.gz SPHSGOVWUPWNAF-UHFFFAOYSA-N 0 0 442.563 4.135 40 0 IIABRN COc1ccc(C)cc1NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000409003798 556917233 /nfs/dbraw/zinc/91/72/33/556917233.db2.gz 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O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCC1 ZINC000409019883 556924000 /nfs/dbraw/zinc/92/40/00/556924000.db2.gz KRPLPRFYNSJSAO-UHFFFAOYSA-N 0 0 449.016 4.412 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccccc2F)cc1 ZINC000409028335 556924777 /nfs/dbraw/zinc/92/47/77/556924777.db2.gz LITYHLGXMJHDIA-UHFFFAOYSA-N 0 0 434.439 4.246 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc2)n1 ZINC000072353272 556926349 /nfs/dbraw/zinc/92/63/49/556926349.db2.gz MSBQCORBBOECAM-GOSISDBHSA-N 0 0 434.519 4.189 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2ccc(F)cc2)cc1 ZINC000409027033 556926435 /nfs/dbraw/zinc/92/64/35/556926435.db2.gz RKSWHGWWTQVRBY-UHFFFAOYSA-N 0 0 430.545 4.336 40 0 IIABRN Cc1cccnc1Nc1ccc([C@@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)nc1 ZINC000072353500 556927143 /nfs/dbraw/zinc/92/71/43/556927143.db2.gz OOZIATQFNLSFMZ-GOSISDBHSA-N 0 0 434.544 4.374 40 0 IIABRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(Br)cc1O ZINC000409031261 556927232 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IIABRN O=C(CN1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1)Nc1ccccc1F ZINC000072371251 556937733 /nfs/dbraw/zinc/93/77/33/556937733.db2.gz MSWPETCBKGVDPW-INIZCTEOSA-N 0 0 442.922 4.252 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409054963 556938471 /nfs/dbraw/zinc/93/84/71/556938471.db2.gz OSOCAFHOPRECCM-UHFFFAOYSA-N 0 0 443.396 4.265 40 0 IIABRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(SC)cc1 ZINC000409062338 556939891 /nfs/dbraw/zinc/93/98/91/556939891.db2.gz SDIZAIOMVZDJBX-BOPFTXTBSA-N 0 0 432.954 4.210 40 0 IIABRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)c1 ZINC000409066156 556941564 /nfs/dbraw/zinc/94/15/64/556941564.db2.gz ATAKIRJSKRYIRD-UDWIEESQSA-N 0 0 434.423 4.274 40 0 IIABRN CCn1ccc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)n1 ZINC000072372865 556944516 /nfs/dbraw/zinc/94/45/16/556944516.db2.gz YHPSEKWDXGCMQJ-QHCPKHFHSA-N 0 0 444.583 4.322 40 0 IIABRN Cc1nc(Cn2ncc3ccccc3c2=O)cc(NCC2(c3ccccc3)CCCC2)n1 ZINC000072373370 556946503 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/nfs/dbraw/zinc/31/11/19/557311119.db2.gz SAOJHDVSMGVKSB-LBPRGKRZSA-N 0 0 431.341 4.185 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000113971808 557311968 /nfs/dbraw/zinc/31/19/68/557311968.db2.gz CRCPNJCPFUMYSC-XLIONFOSSA-N 0 0 434.989 4.068 40 0 IIABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000220757588 557312059 /nfs/dbraw/zinc/31/20/59/557312059.db2.gz URSDZRMFFDNPFS-MRXNPFEDSA-N 0 0 445.368 4.494 40 0 IIABRN CC[C@@H](C)N1C(=O)[C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@H]2C1=O ZINC000103458995 557315459 /nfs/dbraw/zinc/31/54/59/557315459.db2.gz QFBQOHYYDQZFSX-GREXAQRUSA-N 0 0 434.561 4.313 40 0 IIABRN CCCCN1C(=O)[C@H]2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@H]2C1=O ZINC000103461472 557315693 /nfs/dbraw/zinc/31/56/93/557315693.db2.gz DHFHICQQFCQDAA-VBSBHUPXSA-N 0 0 440.952 4.270 40 0 IIABRN O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103536434 557316009 /nfs/dbraw/zinc/31/60/09/557316009.db2.gz MBELFISBIZJRMZ-LWSSLDFYSA-N 0 0 426.516 4.087 40 0 IIABRN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000023631605 557316561 /nfs/dbraw/zinc/31/65/61/557316561.db2.gz XDVOWEMGWBGSIK-UHFFFAOYSA-N 0 0 430.570 4.077 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000013471744 557321868 /nfs/dbraw/zinc/32/18/68/557321868.db2.gz HGJBNLZUDJOUHP-LJQANCHMSA-N 0 0 441.622 4.262 40 0 IIABRN COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)c(OC)c1 ZINC000013496250 557326353 /nfs/dbraw/zinc/32/63/53/557326353.db2.gz IMQKKWBFGJRWQB-DEOSSOPVSA-N 0 0 433.556 4.343 40 0 IIABRN CC(C)(C)c1ccc(C(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CCCC3)cc1 ZINC000013496084 557326402 /nfs/dbraw/zinc/32/64/02/557326402.db2.gz UMMIMXYFHDNBGC-UHFFFAOYSA-N 0 0 440.609 4.426 40 0 IIABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)c1OC ZINC000013497830 557327253 /nfs/dbraw/zinc/32/72/53/557327253.db2.gz HTPOIGYABZXFAL-QFIPXVFZSA-N 0 0 442.581 4.099 40 0 IIABRN Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccc(C(C)C)cc3)cc2c1 ZINC000013512952 557333852 /nfs/dbraw/zinc/33/38/52/557333852.db2.gz BPJSENNUPGCPMQ-HSZRJFAPSA-N 0 0 449.551 4.409 40 0 IIABRN CCOc1ccccc1-n1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccncc1 ZINC000013513120 557334107 /nfs/dbraw/zinc/33/41/07/557334107.db2.gz KQIHIOYHEFOHBP-UHFFFAOYSA-N 0 0 439.585 4.466 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1cccnc1 ZINC000013513192 557334365 /nfs/dbraw/zinc/33/43/65/557334365.db2.gz HNLDHEMEGKSZAE-UHFFFAOYSA-N 0 0 437.569 4.221 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000222381565 557336779 /nfs/dbraw/zinc/33/67/79/557336779.db2.gz BFZZOKOCHSMOCN-UHFFFAOYSA-N 0 0 437.295 4.457 40 0 IIABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000222384367 557337087 /nfs/dbraw/zinc/33/70/87/557337087.db2.gz BBMKUCFCDVWCFH-UHFFFAOYSA-N 0 0 434.561 4.473 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(OC)cc1 ZINC000222396134 557337993 /nfs/dbraw/zinc/33/79/93/557337993.db2.gz FADCDSZVRSVKFT-XMMPIXPASA-N 0 0 440.584 4.495 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000222446621 557340522 /nfs/dbraw/zinc/34/05/22/557340522.db2.gz NJULSMCPULQRTA-INIZCTEOSA-N 0 0 449.414 4.154 40 0 IIABRN CCCC(=O)Oc1c(Cl)cc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1OC ZINC000013564635 557340645 /nfs/dbraw/zinc/34/06/45/557340645.db2.gz XBDRPZAJMKKHML-LICLKQGHSA-N 0 0 429.856 4.407 40 0 IIABRN C[C@@H](Oc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4)C(=O)Nc1ccccc1 ZINC000013564840 557341592 /nfs/dbraw/zinc/34/15/92/557341592.db2.gz VNMKEWUTXRPZIY-CYBMUJFWSA-N 0 0 434.521 4.497 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222489588 557343132 /nfs/dbraw/zinc/34/31/32/557343132.db2.gz GLQOKROPIGUWIC-DEOSSOPVSA-N 0 0 440.584 4.495 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000222492949 557343438 /nfs/dbraw/zinc/34/34/38/557343438.db2.gz LFGDUCWNKXVRDT-JTSKRJEESA-N 0 0 446.975 4.450 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 ZINC000222492637 557343478 /nfs/dbraw/zinc/34/34/78/557343478.db2.gz ANORIVFDHIQAFS-XXBNENTESA-N 0 0 426.557 4.105 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 ZINC000222492588 557343498 /nfs/dbraw/zinc/34/34/98/557343498.db2.gz ANORIVFDHIQAFS-WMZHIEFXSA-N 0 0 426.557 4.105 40 0 IIABRN C[C@@H](Sc1nnc(-c2ccco2)c(-c2ccco2)n1)C(=O)c1ccc2c(c1)CC(=O)N2 ZINC000013566442 557344488 /nfs/dbraw/zinc/34/44/88/557344488.db2.gz YTSWLJIQXKJQSJ-GFCCVEGCSA-N 0 0 432.461 4.250 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1 ZINC000222524424 557347305 /nfs/dbraw/zinc/34/73/05/557347305.db2.gz XUOBHHARUIRVFC-RUZDIDTESA-N 0 0 448.538 4.207 40 0 IIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000222524198 557347353 /nfs/dbraw/zinc/34/73/53/557347353.db2.gz CFSSEJNWVKGSAG-GOSISDBHSA-N 0 0 436.961 4.076 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cccc(C)c1C ZINC000222538677 557348570 /nfs/dbraw/zinc/34/85/70/557348570.db2.gz SGOGXVCJYVEEFU-XMMPIXPASA-N 0 0 448.538 4.207 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)ccc1C ZINC000222541059 557348783 /nfs/dbraw/zinc/34/87/83/557348783.db2.gz YMOCXUHKKQMENB-REWPJTCUSA-N 0 0 440.584 4.413 40 0 IIABRN Cc1ccc(CN(c2ccc3sc(C(=O)N4CCCC4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584251 557349268 /nfs/dbraw/zinc/34/92/68/557349268.db2.gz WYCRANAIDSWSGQ-UHFFFAOYSA-N 0 0 428.579 4.412 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000222549704 557349831 /nfs/dbraw/zinc/34/98/31/557349831.db2.gz ZHBHAXUZXGBLHG-GOSISDBHSA-N 0 0 438.549 4.320 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000013585106 557350029 /nfs/dbraw/zinc/35/00/29/557350029.db2.gz YVVORKGBVZBCMJ-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN CSc1nnc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)s1 ZINC000222554698 557350762 /nfs/dbraw/zinc/35/07/62/557350762.db2.gz WEJFKEVWSXVGBD-SFHVURJKSA-N 0 0 442.591 4.287 40 0 IIABRN CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)c1ccc(F)cc1 ZINC000222555291 557351071 /nfs/dbraw/zinc/35/10/71/557351071.db2.gz HBQLAWXZMMVNGX-LJQANCHMSA-N 0 0 426.513 4.043 40 0 IIABRN c1ccc(CCn2nnnc2[C@@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013561764 557352317 /nfs/dbraw/zinc/35/23/17/557352317.db2.gz NMQNBTLSGYFTPJ-AREMUKBSSA-N 0 0 438.579 4.355 40 0 IIABRN Cc1ccccc1N(CCCC(=O)NCCCc1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000222561253 557352274 /nfs/dbraw/zinc/35/22/74/557352274.db2.gz BDWQLHNHTFSSNO-UHFFFAOYSA-N 0 0 446.613 4.077 40 0 IIABRN COc1cc(OC)c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br ZINC000222563295 557352782 /nfs/dbraw/zinc/35/27/82/557352782.db2.gz LFZRTKMXMDVSQW-PDSMFRHLSA-N 0 0 434.359 4.451 40 0 IIABRN Cc1ccccc1N(CCCC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000222564268 557353048 /nfs/dbraw/zinc/35/30/48/557353048.db2.gz CJTSSGBYYHNVBQ-UHFFFAOYSA-N 0 0 430.614 4.414 40 0 IIABRN COc1cccc(OC)c1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000013563977 557354081 /nfs/dbraw/zinc/35/40/81/557354081.db2.gz LTJVVTQDSHLISU-UHFFFAOYSA-N 0 0 429.476 4.200 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585931 557356115 /nfs/dbraw/zinc/35/61/15/557356115.db2.gz MKHQRUGGTJSEHK-UHFFFAOYSA-N 0 0 438.958 4.105 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000222586187 557356517 /nfs/dbraw/zinc/35/65/17/557356517.db2.gz DEYBKJRSFQTMLQ-FQEVSTJZSA-N 0 0 432.586 4.126 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000013595875 557356599 /nfs/dbraw/zinc/35/65/99/557356599.db2.gz YKVZKBIFMKXRMF-ZDUSSCGKSA-N 0 0 443.352 4.041 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000222589010 557357071 /nfs/dbraw/zinc/35/70/71/557357071.db2.gz NRAJAWUZHHCAQA-ZDUSSCGKSA-N 0 0 426.916 4.015 40 0 IIABRN CCSc1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC ZINC000222591148 557357651 /nfs/dbraw/zinc/35/76/51/557357651.db2.gz ITBHGAMTVACBQD-UHFFFAOYSA-N 0 0 448.610 4.163 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000222592440 557357879 /nfs/dbraw/zinc/35/78/79/557357879.db2.gz GEYOEYTZGSOLRQ-CYBMUJFWSA-N 0 0 429.369 4.199 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000222606550 557360588 /nfs/dbraw/zinc/36/05/88/557360588.db2.gz QDXXYQURTHJICY-UHFFFAOYSA-N 0 0 446.569 4.202 40 0 IIABRN CCOc1ccc(N(CCCC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 ZINC000222620910 557363378 /nfs/dbraw/zinc/36/33/78/557363378.db2.gz XHTFAOIRCGIITB-UHFFFAOYSA-N 0 0 444.475 4.289 40 0 IIABRN COc1ccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222629683 557365246 /nfs/dbraw/zinc/36/52/46/557365246.db2.gz IHNXAQPNQZOFMS-SFHVURJKSA-N 0 0 428.598 4.260 40 0 IIABRN Cc1cc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)ccc1N1CCCC1=O ZINC000222650984 557368479 /nfs/dbraw/zinc/36/84/79/557368479.db2.gz WHDAASFHHOKRRU-PGMHBOJBSA-N 0 0 429.476 4.124 40 0 IIABRN CCSc1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222682267 557373558 /nfs/dbraw/zinc/37/35/58/557373558.db2.gz TZWBRCNLDMFJDM-UHFFFAOYSA-N 0 0 428.526 4.262 40 0 IIABRN CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113887128 557378555 /nfs/dbraw/zinc/37/85/55/557378555.db2.gz GMJPVWPORZKZPT-UHFFFAOYSA-N 0 0 432.325 4.151 40 0 IIABRN CC(C)Oc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 ZINC000113946088 557380434 /nfs/dbraw/zinc/38/04/34/557380434.db2.gz KVDJSWQLEKALPW-UHFFFAOYSA-N 0 0 444.578 4.290 40 0 IIABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000113956018 557381337 /nfs/dbraw/zinc/38/13/37/557381337.db2.gz SCCAGWHDWGKMFK-QFIPXVFZSA-N 0 0 444.622 4.003 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O ZINC000113961087 557381912 /nfs/dbraw/zinc/38/19/12/557381912.db2.gz FMMVRJLSWRAZDP-IBGZPJMESA-N 0 0 432.586 4.126 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000113961499 557382257 /nfs/dbraw/zinc/38/22/57/557382257.db2.gz LJCCIXJPGSUWRG-UHFFFAOYSA-N 0 0 448.894 4.221 40 0 IIABRN COc1ccccc1NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000113964015 557383022 /nfs/dbraw/zinc/38/30/22/557383022.db2.gz OYOGBGVHYHKSMQ-UHFFFAOYSA-N 0 0 428.485 4.053 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000113971805 557384710 /nfs/dbraw/zinc/38/47/10/557384710.db2.gz CRCPNJCPFUMYSC-FXAWDEMLSA-N 0 0 434.989 4.068 40 0 IIABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1OC ZINC000222805832 557388642 /nfs/dbraw/zinc/38/86/42/557388642.db2.gz UCKQTSOEXANHHT-KRWDZBQOSA-N 0 0 446.975 4.089 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222805728 557388681 /nfs/dbraw/zinc/38/86/81/557388681.db2.gz YKCOQOSRDICOKR-KRWDZBQOSA-N 0 0 446.975 4.233 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000222832836 557391335 /nfs/dbraw/zinc/39/13/35/557391335.db2.gz FAPGBKZBMSZOSD-QHCPKHFHSA-N 0 0 426.557 4.023 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc21 ZINC000222830314 557391385 /nfs/dbraw/zinc/39/13/85/557391385.db2.gz KTCZZVSKYQXYDU-UHFFFAOYSA-N 0 0 430.529 4.352 40 0 IIABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3OC)n2C)cc1 ZINC000013871311 557392412 /nfs/dbraw/zinc/39/24/12/557392412.db2.gz BIKWUCGSTDSYQL-OAHLLOKOSA-N 0 0 426.542 4.257 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C ZINC000222847290 557393399 /nfs/dbraw/zinc/39/33/99/557393399.db2.gz OABJYMSYIQWQAO-JOCHJYFZSA-N 0 0 426.557 4.023 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc4ccccc43)CC2)cc1 ZINC000222869035 557396156 /nfs/dbraw/zinc/39/61/56/557396156.db2.gz XCEHYHQTRZGAEL-UHFFFAOYSA-N 0 0 436.577 4.006 40 0 IIABRN COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000222877263 557396883 /nfs/dbraw/zinc/39/68/83/557396883.db2.gz UKPZRHLZFANZDN-UHFFFAOYSA-N 0 0 438.549 4.400 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000222878474 557397299 /nfs/dbraw/zinc/39/72/99/557397299.db2.gz ZVWPHQZVWRIYLU-UHFFFAOYSA-N 0 0 430.957 4.356 40 0 IIABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222893163 557399648 /nfs/dbraw/zinc/39/96/48/557399648.db2.gz GCCDPPORARPZDT-IBGZPJMESA-N 0 0 428.548 4.462 40 0 IIABRN C[C@@H](O)CN(Cc1nc2ccccc2n1Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000013991909 557400037 /nfs/dbraw/zinc/40/00/37/557400037.db2.gz UKUWXSKVBWDBIN-LJQANCHMSA-N 0 0 429.520 4.196 40 0 IIABRN COc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)c(OC)c1OC ZINC000013995301 557401709 /nfs/dbraw/zinc/40/17/09/557401709.db2.gz QJBSBHMKGSGTJD-LHSJRXKWSA-N 0 0 439.537 4.370 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222920115 557402874 /nfs/dbraw/zinc/40/28/74/557402874.db2.gz PFQMQHWJAGISBW-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc(Br)cc1 ZINC000222923169 557403394 /nfs/dbraw/zinc/40/33/94/557403394.db2.gz ZSNSJTPZUSABET-IBGZPJMESA-N 0 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IIABRN COc1c(F)c(F)c(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c(F)c1F ZINC000017098757 557481838 /nfs/dbraw/zinc/48/18/38/557481838.db2.gz ZKLDHZACKLLBTA-UHFFFAOYSA-N 0 0 434.324 4.377 40 0 IIABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000017100009 557483913 /nfs/dbraw/zinc/48/39/13/557483913.db2.gz UBNBTXPSRRQSCC-UHFFFAOYSA-N 0 0 436.339 4.313 40 0 IIABRN CC(=O)N1CCN(c2ccccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000017099999 557483927 /nfs/dbraw/zinc/48/39/27/557483927.db2.gz KJNWVDUAWBNNPD-CQSZACIVSA-N 0 0 436.339 4.068 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccn1 ZINC000223550271 557484673 /nfs/dbraw/zinc/48/46/73/557484673.db2.gz ZOMODSDVTXORKN-FCHUYYIVSA-N 0 0 446.967 4.488 40 0 IIABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCO ZINC000223565054 557486914 /nfs/dbraw/zinc/48/69/14/557486914.db2.gz BOEMGQRMRWACLO-YADHBBJMSA-N 0 0 441.000 4.416 40 0 IIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccc(Br)s1 ZINC000223575708 557487896 /nfs/dbraw/zinc/48/78/96/557487896.db2.gz RWFHSBDICMIJQU-UHFFFAOYSA-N 0 0 448.751 4.035 40 0 IIABRN CCOc1ccccc1N(CC(=O)NCC1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000223578236 557488144 /nfs/dbraw/zinc/48/81/44/557488144.db2.gz BPGOQRLEOUMMRO-UHFFFAOYSA-N 0 0 444.597 4.286 40 0 IIABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000223587478 557489351 /nfs/dbraw/zinc/48/93/51/557489351.db2.gz JXFPPTZGQRQEDG-UHFFFAOYSA-N 0 0 442.324 4.263 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2ccccc2F)cc1 ZINC000223591413 557489584 /nfs/dbraw/zinc/48/95/84/557489584.db2.gz APLXQVLHUZWGQN-LJQANCHMSA-N 0 0 440.540 4.249 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223592334 557489849 /nfs/dbraw/zinc/48/98/49/557489849.db2.gz UYWVFNXKSWELJT-UHFFFAOYSA-N 0 0 442.512 4.115 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000223593482 557490190 /nfs/dbraw/zinc/49/01/90/557490190.db2.gz ZEULMXIPIMDPGK-LJQANCHMSA-N 0 0 440.540 4.249 40 0 IIABRN CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 ZINC000223603314 557490800 /nfs/dbraw/zinc/49/08/00/557490800.db2.gz DRFNGPGHCHORNE-UHFFFAOYSA-N 0 0 441.553 4.442 40 0 IIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223603990 557490808 /nfs/dbraw/zinc/49/08/08/557490808.db2.gz LCUNIFNQEFGWDV-UHFFFAOYSA-N 0 0 447.944 4.314 40 0 IIABRN CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000017103001 557491519 /nfs/dbraw/zinc/49/15/19/557491519.db2.gz ZRNQYXCKHLMGLZ-UHFFFAOYSA-N 0 0 438.984 4.372 40 0 IIABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)ccc1Cl ZINC000223628948 557493747 /nfs/dbraw/zinc/49/37/47/557493747.db2.gz HEDATOSTFUEWCL-SFTDATJTSA-N 0 0 426.973 4.189 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C ZINC000223628009 557493784 /nfs/dbraw/zinc/49/37/84/557493784.db2.gz DVGPAQOZGDMGJX-QFIPXVFZSA-N 0 0 440.584 4.413 40 0 IIABRN COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000118923236 557494432 /nfs/dbraw/zinc/49/44/32/557494432.db2.gz KQUNCCJVTCFGQE-GMNKTZBFSA-N 0 0 434.573 4.292 40 0 IIABRN CC(C)c1ccc(N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)cc1 ZINC000223633357 557494507 /nfs/dbraw/zinc/49/45/07/557494507.db2.gz HNKDNQQDIMOIIS-UHFFFAOYSA-N 0 0 437.565 4.201 40 0 IIABRN CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118928269 557495171 /nfs/dbraw/zinc/49/51/71/557495171.db2.gz BPYSIBBIDTVCQX-CFQAJVKWSA-N 0 0 434.617 4.135 40 0 IIABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000223645757 557496216 /nfs/dbraw/zinc/49/62/16/557496216.db2.gz KIAQCTLSCVOUDX-UHFFFAOYSA-N 0 0 432.716 4.316 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223671757 557499959 /nfs/dbraw/zinc/49/99/59/557499959.db2.gz SCRKRRRZOODFEM-NRFANRHFSA-N 0 0 446.975 4.450 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1C ZINC000223672634 557500259 /nfs/dbraw/zinc/50/02/59/557500259.db2.gz UARBQUTXOBSDKO-QFIPXVFZSA-N 0 0 440.584 4.413 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000223686418 557502117 /nfs/dbraw/zinc/50/21/17/557502117.db2.gz NVIREWXGODWUFT-ZEQRLZLVSA-N 0 0 448.592 4.084 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223706093 557504411 /nfs/dbraw/zinc/50/44/11/557504411.db2.gz BGJVXGAAXTYTJU-HXUWFJFHSA-N 0 0 430.976 4.483 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000223756769 557509725 /nfs/dbraw/zinc/50/97/25/557509725.db2.gz DZYOPJSTPLIWQX-UHFFFAOYSA-N 0 0 430.551 4.213 40 0 IIABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223776806 557511796 /nfs/dbraw/zinc/51/17/96/557511796.db2.gz XIPWRXMZQGTEAX-UHFFFAOYSA-N 0 0 433.555 4.113 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC ZINC000223795479 557514616 /nfs/dbraw/zinc/51/46/16/557514616.db2.gz NFFYWZGOQQPBKE-FQEVSTJZSA-N 0 0 446.975 4.451 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223815761 557516953 /nfs/dbraw/zinc/51/69/53/557516953.db2.gz RDFUJCHJBBKMOV-QHCPKHFHSA-N 0 0 428.548 4.491 40 0 IIABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(Br)c(Cl)c3)ccc21 ZINC000223846750 557519958 /nfs/dbraw/zinc/51/99/58/557519958.db2.gz RQPRWPWXEJKDBO-UHFFFAOYSA-N 0 0 443.750 4.202 40 0 IIABRN CCCOc1ccccc1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223881701 557524863 /nfs/dbraw/zinc/52/48/63/557524863.db2.gz HOFSWWMCEZVPIL-UHFFFAOYSA-N 0 0 436.599 4.067 40 0 IIABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000223883966 557524989 /nfs/dbraw/zinc/52/49/89/557524989.db2.gz SPXKLQMHPJEINK-FQEVSTJZSA-N 0 0 446.613 4.364 40 0 IIABRN Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000223900525 557526748 /nfs/dbraw/zinc/52/67/48/557526748.db2.gz JMDJLFRGZCQXGV-LJQANCHMSA-N 0 0 426.532 4.297 40 0 IIABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCOCC2)nc1 ZINC000223915976 557528284 /nfs/dbraw/zinc/52/82/84/557528284.db2.gz QRKRQZCEQFZTCK-UHFFFAOYSA-N 0 0 428.945 4.318 40 0 IIABRN COc1ccc(N(CCCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000223927910 557529691 /nfs/dbraw/zinc/52/96/91/557529691.db2.gz ILWJJJDYEYBTOU-IBGZPJMESA-N 0 0 446.613 4.114 40 0 IIABRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c(OC)c1 ZINC000223933765 557530843 /nfs/dbraw/zinc/53/08/43/557530843.db2.gz ANCNZZYRCPQYJU-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCSCc2ccco2)c1 ZINC000223937501 557531317 /nfs/dbraw/zinc/53/13/17/557531317.db2.gz YARYEZMLDBFOBZ-UHFFFAOYSA-N 0 0 430.551 4.052 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(F)cc3)ccc2C)cc1 ZINC000223944922 557532178 /nfs/dbraw/zinc/53/21/78/557532178.db2.gz HRMUZIQSYJKPGT-UHFFFAOYSA-N 0 0 442.512 4.052 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(CC)cc1 ZINC000223954454 557533792 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CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000223978147 557537952 /nfs/dbraw/zinc/53/79/52/557537952.db2.gz JGQHYTSFKYTJJQ-HSZRJFAPSA-N 0 0 440.584 4.415 40 0 IIABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)(C)CC(C)(C)C)Oc3ccccc32)cc1 ZINC000223997794 557541553 /nfs/dbraw/zinc/54/15/53/557541553.db2.gz FWEPPWSAPBHYSH-NRFANRHFSA-N 0 0 444.597 4.282 40 0 IIABRN C[C@H](C(=O)NCCc1ccc(Cl)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224013635 557544432 /nfs/dbraw/zinc/54/44/32/557544432.db2.gz APPPVCIRAJLCBB-GFCCVEGCSA-N 0 0 449.787 4.160 40 0 IIABRN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224014961 557544620 /nfs/dbraw/zinc/54/46/20/557544620.db2.gz VVDKLPLAWFWTJJ-ZIAGYGMSSA-N 0 0 429.369 4.068 40 0 IIABRN COc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224017592 557545076 /nfs/dbraw/zinc/54/50/76/557545076.db2.gz MGFMBUIDSTXYDM-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccco3)c(Cl)c2)cc1 ZINC000224016907 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/nfs/dbraw/zinc/66/61/93/568666193.db2.gz AKKOPLPSOYNSLH-GOSISDBHSA-N 0 0 444.470 4.009 40 0 IIABRN COc1cccc2c1OC1(CCN(Cc3nc4ccccc4n3C)CC1)[C@H]1CCCO[C@H]21 ZINC000257204112 568666965 /nfs/dbraw/zinc/66/69/65/568666965.db2.gz ATBYRWGVZDBSRW-YADARESESA-N 0 0 433.552 4.477 40 0 IIABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2ccccc2F)nc1 ZINC000257208750 568669011 /nfs/dbraw/zinc/66/90/11/568669011.db2.gz BNMDVWMSWBGKCN-GEMTWJNPSA-N 0 0 435.543 4.206 40 0 IIABRN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)COc4ccccc4OC)C3)o2)cc1 ZINC000257210195 568669679 /nfs/dbraw/zinc/66/96/79/568669679.db2.gz BTQBSMSCYJVXOK-IBGZPJMESA-N 0 0 436.508 4.068 40 0 IIABRN Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(c2ccccc2)C(=O)O3)cc1NCc1cccnc1 ZINC000257217959 568673474 /nfs/dbraw/zinc/67/34/74/568673474.db2.gz DBHVFKGAQUZFRW-AREMUKBSSA-N 0 0 442.519 4.244 40 0 IIABRN Cc1cc(Nc2cc(CC3CCN(C(=O)Cc4ccccc4F)CC3)nc(C3CC3)n2)n[nH]1 ZINC000257218590 568673672 /nfs/dbraw/zinc/67/36/72/568673672.db2.gz DDRSMOJVXSGCII-UHFFFAOYSA-N 0 0 448.546 4.292 40 0 IIABRN Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccnc(N5CCOCC5)c4)C3)n2)c1 ZINC000257224403 568676286 /nfs/dbraw/zinc/67/62/86/568676286.db2.gz FBRNFFHCUPBAAH-HSZRJFAPSA-N 0 0 442.563 4.308 40 0 IIABRN Cc1nc2cc([C@H]3CCCN3Cc3cccc(F)c3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257235202 568681671 /nfs/dbraw/zinc/68/16/71/568681671.db2.gz GWWLFPHHLNSKGD-XMMPIXPASA-N 0 0 449.574 4.281 40 0 IIABRN Cc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000257235825 568682002 /nfs/dbraw/zinc/68/20/02/568682002.db2.gz GZQZTOHEVSFACR-QFIPXVFZSA-N 0 0 446.595 4.203 40 0 IIABRN COCc1cc(CN2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)ccc1OC(C)C ZINC000257240395 568683949 /nfs/dbraw/zinc/68/39/49/568683949.db2.gz HTFTZRIKHAQFEY-QHCPKHFHSA-N 0 0 449.555 4.122 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257245338 568686499 /nfs/dbraw/zinc/68/64/99/568686499.db2.gz IPAHWKGMTXQEIJ-LJQANCHMSA-N 0 0 438.547 4.310 40 0 IIABRN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000257258649 568692287 /nfs/dbraw/zinc/69/22/87/568692287.db2.gz KUXQUKSDAJAAGZ-MMDQYGTHSA-N 0 0 448.611 4.323 40 0 IIABRN Cc1cc(Nc2ccccn2)nc(C2CCN(C(=O)[C@@H](C)Nc3ccccc3F)CC2)n1 ZINC000257262390 568694476 /nfs/dbraw/zinc/69/44/76/568694476.db2.gz LLESGRCAJFJFMK-QGZVFWFLSA-N 0 0 434.519 4.269 40 0 IIABRN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)COc4ccc(OC)cc4)C3)o2)cc1 ZINC000257266914 568696016 /nfs/dbraw/zinc/69/60/16/568696016.db2.gz MFDGCISSJUKBIA-LJQANCHMSA-N 0 0 436.508 4.068 40 0 IIABRN CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCCN(Cc2ccccc2-c2ccccc2F)C1 ZINC000257266862 568696212 /nfs/dbraw/zinc/69/62/12/568696212.db2.gz MEWRNPBFAJQDLQ-KRWDZBQOSA-N 0 0 427.545 4.074 40 0 IIABRN Cc1ccc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)s1 ZINC000257267434 568696496 /nfs/dbraw/zinc/69/64/96/568696496.db2.gz MHHOULFTLPSYSA-JOCHJYFZSA-N 0 0 437.613 4.264 40 0 IIABRN Cc1ccc(CN2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)s1 ZINC000257267435 568696527 /nfs/dbraw/zinc/69/65/27/568696527.db2.gz MHHOULFTLPSYSA-QFIPXVFZSA-N 0 0 437.613 4.264 40 0 IIABRN CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257274412 568699668 /nfs/dbraw/zinc/69/96/68/568699668.db2.gz NKZRDAFWDMYZBZ-FQEVSTJZSA-N 0 0 447.539 4.187 40 0 IIABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(Cc3cnn(C)c3)CCO2)n1 ZINC000257274447 568699673 /nfs/dbraw/zinc/69/96/73/568699673.db2.gz NLBYWVRVPRXLHT-JOCHJYFZSA-N 0 0 430.474 4.307 40 0 IIABRN CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C3(c4cc(C)cc(C)c4)CCOCC3)C2)n1 ZINC000257276634 568700461 /nfs/dbraw/zinc/70/04/61/568700461.db2.gz NUODOWQVLVGION-VWLOTQADSA-N 0 0 436.600 4.072 40 0 IIABRN COc1cccc(OCCc2cc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)[nH]n2)c1 ZINC000257278354 568701497 /nfs/dbraw/zinc/70/14/97/568701497.db2.gz OBXWHAUYTUNBBW-AREMUKBSSA-N 0 0 444.535 4.162 40 0 IIABRN COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C1)CO2 ZINC000257280570 568702541 /nfs/dbraw/zinc/70/25/41/568702541.db2.gz OLKCILOBSVGQRW-XMMPIXPASA-N 0 0 430.508 4.078 40 0 IIABRN Cc1nn(C)cc1CN1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257287200 568705336 /nfs/dbraw/zinc/70/53/36/568705336.db2.gz POXSXECURGTHJY-JOCHJYFZSA-N 0 0 430.474 4.307 40 0 IIABRN CCc1cc(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)on1 ZINC000257288181 568705774 /nfs/dbraw/zinc/70/57/74/568705774.db2.gz PTFRKKQDXONVEU-OAQYLSRUSA-N 0 0 445.441 4.455 40 0 IIABRN COCc1cc(CN2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)ccc1OC(C)C ZINC000257287942 568705869 /nfs/dbraw/zinc/70/58/69/568705869.db2.gz PSDKHEDFERQFLP-QHCPKHFHSA-N 0 0 449.555 4.122 40 0 IIABRN O=C(CCc1[nH]nc2c1CCCC2)N1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257288124 568705879 /nfs/dbraw/zinc/70/58/79/568705879.db2.gz PSYDWNZMZGSLSJ-XMMPIXPASA-N 0 0 434.515 4.022 40 0 IIABRN COc1ccc(C(=O)N2CC3(C2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)cn1 ZINC000257292272 568707447 /nfs/dbraw/zinc/70/74/47/568707447.db2.gz QKTBOKWWBSTNGK-FXAWDEMLSA-N 0 0 428.916 4.135 40 0 IIABRN Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)n1 ZINC000257292984 568708170 /nfs/dbraw/zinc/70/81/70/568708170.db2.gz QNRLTKZPXKCKTJ-UHFFFAOYSA-N 0 0 440.507 4.178 40 0 IIABRN CCc1nccn1-c1ccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)cn1 ZINC000257293616 568708533 /nfs/dbraw/zinc/70/85/33/568708533.db2.gz QQJRFBRBVBVUTE-OAQYLSRUSA-N 0 0 441.535 4.428 40 0 IIABRN COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)cc1 ZINC000257294955 568708852 /nfs/dbraw/zinc/70/88/52/568708852.db2.gz QWKKHBLPVHOPDE-FQEVSTJZSA-N 0 0 448.542 4.412 40 0 IIABRN CCn1c(CN2CCO[C@@H](c3cncc(-c4ccc(OC)cc4)n3)C2)nc2ccccc21 ZINC000257299021 568710934 /nfs/dbraw/zinc/71/09/34/568710934.db2.gz ROJXVGTZAVXJAM-XMMPIXPASA-N 0 0 429.524 4.095 40 0 IIABRN Cc1[nH]c2ccc(C(=O)N3CCNC(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)cc2c1C ZINC000257299911 568711182 /nfs/dbraw/zinc/71/11/82/568711182.db2.gz RSDQXIIAYKQYMM-RUZDIDTESA-N 0 0 438.531 4.030 40 0 IIABRN Cc1cc(C)nc(Nc2cccc(C3CCN(CC(=O)Nc4ccccc4F)CC3)n2)n1 ZINC000257303376 568712641 /nfs/dbraw/zinc/71/26/41/568712641.db2.gz SGYWSPHZZVWJPC-UHFFFAOYSA-N 0 0 434.519 4.189 40 0 IIABRN COCc1ccc(C(=O)N2CC[C@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)cc1 ZINC000257312329 568716701 /nfs/dbraw/zinc/71/67/01/568716701.db2.gz UNKPWHWQYNLYCM-SFHVURJKSA-N 0 0 425.916 4.418 40 0 IIABRN CC[C@H](C(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1)c1ccccc1 ZINC000257313944 568717300 /nfs/dbraw/zinc/71/73/00/568717300.db2.gz UUTPCMAUXXIPDE-URXFXBBRSA-N 0 0 428.960 4.397 40 0 IIABRN CC(C)(O)[C@@H]1CC[C@@]2(C)OCC3(CCN(C(=O)c4ccc5c(c4)CCCC5)CC3)C[C@@H]2O1 ZINC000257337887 568727809 /nfs/dbraw/zinc/72/78/09/568727809.db2.gz YUXIQVANRPIFSG-JCYRPKCISA-N 0 0 441.612 4.285 40 0 IIABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000257338112 568727871 /nfs/dbraw/zinc/72/78/71/568727871.db2.gz YVWWIZPVQIGFLV-XMMPIXPASA-N 0 0 427.483 4.370 40 0 IIABRN CC(=O)N1CCCC[C@@H]2N(C(=O)c3ccc(C)c(NCc4ccccn4)c3)CCC[C@@]21C ZINC000257341276 568729192 /nfs/dbraw/zinc/72/91/92/568729192.db2.gz ZJQKLUXNKNKUQR-AHWVRZQESA-N 0 0 434.584 4.398 40 0 IIABRN Cc1csc(Nc2cncc(C3CCN(S(=O)(=O)c4ccc(C)c(F)c4)CC3)n2)n1 ZINC000257342057 568729428 /nfs/dbraw/zinc/72/94/28/568729428.db2.gz ZMXCYMPCCXMFPV-UHFFFAOYSA-N 0 0 447.561 4.001 40 0 IIABRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Cl)c1 ZINC000261362048 568733034 /nfs/dbraw/zinc/73/30/34/568733034.db2.gz BWPPYDTVUHFRKH-FQEVSTJZSA-O 0 0 427.937 4.206 40 0 IIABRN C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC(=O)[C@@]5(O)C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000306121459 568762343 /nfs/dbraw/zinc/76/23/43/568762343.db2.gz HCRGPOQBVFMZFY-REIULKBSSA-N 0 0 446.628 4.088 40 0 IIABRN COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5cncc(C)c5)C4)nn3c2)c1 ZINC000306124156 568762989 /nfs/dbraw/zinc/76/29/89/568762989.db2.gz BHWSQCADWGWBKT-FQEVSTJZSA-N 0 0 427.508 4.128 40 0 IIABRN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cncc(C)c5)C4)nn3c2)c1 ZINC000306124157 568763039 /nfs/dbraw/zinc/76/30/39/568763039.db2.gz BHWSQCADWGWBKT-HXUWFJFHSA-N 0 0 427.508 4.128 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccnn2-c2ccc(F)cc2)n2ccncc12 ZINC000306126575 568764468 /nfs/dbraw/zinc/76/44/68/568764468.db2.gz DZGBJCKSDWTCSW-UHFFFAOYSA-N 0 0 446.873 4.305 40 0 IIABRN COc1ccc(-c2cccc3nc([C@@H]4CN(Cc5scnc5C)CCN4C)cn32)cc1 ZINC000306132175 568767100 /nfs/dbraw/zinc/76/71/00/568767100.db2.gz LAVPCRIYJKTFFE-QFIPXVFZSA-N 0 0 433.581 4.264 40 0 IIABRN COc1ccc(-c2cccc3nc([C@@H]4CN(C(=O)c5ccsc5)CCN4C)cn32)cc1 ZINC000306136412 568769374 /nfs/dbraw/zinc/76/93/74/568769374.db2.gz PSQHNIGTKBKTOO-QFIPXVFZSA-N 0 0 432.549 4.200 40 0 IIABRN CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)ccc1O ZINC000002102772 568789729 /nfs/dbraw/zinc/78/97/29/568789729.db2.gz BIQPNMNSQIGZGK-DNVKUUNQSA-N 0 0 425.525 4.308 40 0 IIABRN CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)ccc1O ZINC000006553769 568792146 /nfs/dbraw/zinc/79/21/46/568792146.db2.gz BIQPNMNSQIGZGK-QXWFJRNPSA-N 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O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1cccc(Cl)c1Cl ZINC000111882825 569253702 /nfs/dbraw/zinc/25/37/02/569253702.db2.gz CVEFPNPQIYDUEY-NSHDSACASA-N 0 0 441.698 4.182 40 0 IIABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(C)cc1 ZINC000137911420 569253851 /nfs/dbraw/zinc/25/38/51/569253851.db2.gz SSSDQYUVFCOGNA-GHTZIAJQSA-N 0 0 434.989 4.317 40 0 IIABRN COc1cccc(OC)c1C(=O)OCC(=O)Nc1cc(Cl)c(Br)cc1C ZINC000138518460 569253914 /nfs/dbraw/zinc/25/39/14/569253914.db2.gz GETVJYYZQAQHFZ-UHFFFAOYSA-N 0 0 442.693 4.224 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1Cl ZINC000138793925 569254144 /nfs/dbraw/zinc/25/41/44/569254144.db2.gz OTSWQKRPRIFGAT-QGZVFWFLSA-N 0 0 436.895 4.336 40 0 IIABRN COc1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000165102873 569255282 /nfs/dbraw/zinc/25/52/82/569255282.db2.gz CVXPYRABPXOUJX-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O ZINC000205704956 569255602 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/nfs/dbraw/zinc/30/44/86/569304486.db2.gz OPMOCFFWLOJASJ-KRXUUXHPSA-N 0 0 434.602 4.043 40 0 IIABRN Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@H]3c2cccc(O)c2)cc1 ZINC000261366056 569315984 /nfs/dbraw/zinc/31/59/84/569315984.db2.gz XDMSSYHXHCJANT-JOCHJYFZSA-O 0 0 429.525 4.415 40 0 IIABRN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 ZINC000019694042 569326558 /nfs/dbraw/zinc/32/65/58/569326558.db2.gz LFXTUAOAVHOXGS-FQEVSTJZSA-N 0 0 448.542 4.306 40 0 IIABRN CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncccc3C(=O)NCc3ccccc3)C2)c1 ZINC000019709385 569327573 /nfs/dbraw/zinc/32/75/73/569327573.db2.gz SUJDVFUTGBIHII-JOCHJYFZSA-N 0 0 442.563 4.097 40 0 IIABRN COc1ccc(NC(=O)c2cnc([C@@H]3CCCN(C(=O)c4ccccc4)C3)nc2C)cc1 ZINC000019765194 569329037 /nfs/dbraw/zinc/32/90/37/569329037.db2.gz NOCPOWMJNSRFSV-LJQANCHMSA-N 0 0 430.508 4.066 40 0 IIABRN COc1ccc(-c2nc3ccc(Br)cn3c2C[NH+]2CCC(C(=O)[O-])CC2)cc1 ZINC000002528861 569407805 /nfs/dbraw/zinc/40/78/05/569407805.db2.gz RQVQVHMJXSYGNY-UHFFFAOYSA-N 0 0 444.329 4.069 40 0 IIABRN O=C1c2cccc3c2c(nn3S(=O)(=O)c2ccc(Br)cc2)-c2ccccc21 ZINC000008870640 569480654 /nfs/dbraw/zinc/48/06/54/569480654.db2.gz LQBLHWMUSRSNEJ-UHFFFAOYSA-N 0 0 439.290 4.247 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000328977357 569583447 /nfs/dbraw/zinc/58/34/47/569583447.db2.gz FTLAXDPVNNJIAS-KRWDZBQOSA-N 0 0 435.425 4.869 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328956524 569583474 /nfs/dbraw/zinc/58/34/74/569583474.db2.gz AGSAFYZHVGMBDZ-SFHVURJKSA-N 0 0 433.434 4.610 40 0 IIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccncc2)nc(N[C@H](CO)C(C)C)n1 ZINC000328956546 569584153 /nfs/dbraw/zinc/58/41/53/569584153.db2.gz AHCJVYGZUNQAJK-LJQANCHMSA-N 0 0 431.462 5.038 40 0 IIABRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(=S)Nc2nccs2)cc1 ZINC000026780077 569584403 /nfs/dbraw/zinc/58/44/03/569584403.db2.gz GBHVUKIEICDGPF-UHFFFAOYSA-N 0 0 435.534 4.131 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1Br ZINC000001261734 569584456 /nfs/dbraw/zinc/58/44/56/569584456.db2.gz HLIVLDUXVNRWAB-UHFFFAOYSA-N 0 0 440.319 4.333 40 0 IIABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](C)CO)n2)cc1 ZINC000329053993 569584543 /nfs/dbraw/zinc/58/45/43/569584543.db2.gz VIVICMDHGSDNHK-CQSZACIVSA-N 0 0 448.445 4.977 40 0 IIABRN CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000004260704 291379535 /nfs/dbraw/zinc/37/95/35/291379535.db2.gz OBKUYNPLSAPOKM-YADHBBJMSA-N 0 0 433.552 4.447 40 0 biogenic,in-vitro IIABRN CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)C4CC4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840765 291381408 /nfs/dbraw/zinc/38/14/08/291381408.db2.gz ZMQHBXHXYMNXBF-GBMAJYDNSA-N 0 0 447.645 4.049 40 0 biogenic,in-vitro IIABRN O=C(c1ccncc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(/C=C/c3ccc(Cl)cc3)c12 ZINC000005439451 291386088 /nfs/dbraw/zinc/38/60/88/291386088.db2.gz ZCKVTMSAIRERFE-RUHNTQCHSA-N 0 0 431.923 4.327 40 0 biogenic,in-vitro IIABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1C ZINC000000645900 193869829 /nfs/dbraw/zinc/86/98/29/193869829.db2.gz IYIHVFCHCLSFFO-IBGZPJMESA-N 0 0 433.552 4.358 40 0 IIABRN Cc1cc(C)nc(N2CC[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)n1 ZINC000019761011 193912764 /nfs/dbraw/zinc/91/27/64/193912764.db2.gz GJFAKCLGIWSKBZ-INIZCTEOSA-N 0 0 430.537 4.344 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223269057 193959979 /nfs/dbraw/zinc/95/99/79/193959979.db2.gz AIINJZUJAZXVDQ-VWLOTQADSA-N 0 0 445.563 4.147 40 0 IIABRN Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000408606159 193974783 /nfs/dbraw/zinc/97/47/83/193974783.db2.gz NWUVGSJUOPPBFF-UHFFFAOYSA-N 0 0 430.570 4.194 40 0 IIABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)cc2c1 ZINC000000782125 132230430 /nfs/dbraw/zinc/23/04/30/132230430.db2.gz JULZDCKOTCEGKN-HSZRJFAPSA-N 0 0 442.567 4.374 40 0 IIABRN O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000001635198 132246170 /nfs/dbraw/zinc/24/61/70/132246170.db2.gz LNSDKDWYQLUEIS-UHFFFAOYSA-N 0 0 436.968 4.489 40 0 IIABRN O=C1c2cccc3cccc(c32)C(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 ZINC000008863602 132296621 /nfs/dbraw/zinc/29/66/21/132296621.db2.gz PEHOABMBPKPZPH-UHFFFAOYSA-N 0 0 433.939 4.302 40 0 IIABRN Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013504596 132348290 /nfs/dbraw/zinc/34/82/90/132348290.db2.gz WSXMVSFUDOBZIB-RUZDIDTESA-N 0 0 442.542 4.081 40 0 IIABRN CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1 ZINC000013504883 132348427 /nfs/dbraw/zinc/34/84/27/132348427.db2.gz RGJKCZKCBQLZAA-DEOSSOPVSA-N 0 0 434.588 4.010 40 0 IIABRN COc1cccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)OC3)c1OC ZINC000013567534 132350468 /nfs/dbraw/zinc/35/04/68/132350468.db2.gz CSRWGJOWVALTLH-OAHLLOKOSA-N 0 0 433.382 4.054 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1F ZINC000012870014 518748556 /nfs/dbraw/zinc/74/85/56/518748556.db2.gz IVLPLTZXQLCQNC-SFHVURJKSA-N 0 0 430.480 4.119 40 0 IIABRN CC(C)c1ccccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000022385234 519844417 /nfs/dbraw/zinc/84/44/17/519844417.db2.gz JUGHJXIBFJXAMX-UHFFFAOYSA-N 0 0 429.369 4.199 40 0 IIABRN CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466712 520522094 /nfs/dbraw/zinc/52/20/94/520522094.db2.gz KUVFALQBGWWIHO-NFIYDPBHSA-N 0 0 446.607 4.252 40 0 biogenic,in-vitro IIABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@H]1c1cccnc1 ZINC000021005684 520541128 /nfs/dbraw/zinc/54/11/28/520541128.db2.gz HDIOVGDUUBELCF-QHCPKHFHSA-N 0 0 426.476 4.429 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000022248648 520783662 /nfs/dbraw/zinc/78/36/62/520783662.db2.gz RWLJLECXTFOBBE-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCOc1ccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 ZINC000005948942 520902474 /nfs/dbraw/zinc/90/24/74/520902474.db2.gz LWOAYBBJXHODKA-UHFFFAOYSA-N 0 0 445.500 4.013 40 0 IIABRN CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020458129 520998282 /nfs/dbraw/zinc/99/82/82/520998282.db2.gz JQMVUGYSPXSBDY-UHFFFAOYSA-N 0 0 444.940 4.470 40 0 IIABRN CCCCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 ZINC000022230164 521281094 /nfs/dbraw/zinc/28/10/94/521281094.db2.gz FEQYGVWPZBWZRX-NRFANRHFSA-N 0 0 430.570 4.138 40 0 IIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1cccc(Br)c1)cn2C ZINC000022237442 521292491 /nfs/dbraw/zinc/29/24/91/521292491.db2.gz FQUUZDQWFFNWGG-CYBMUJFWSA-N 0 0 429.314 4.191 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000035290857 521343614 /nfs/dbraw/zinc/34/36/14/521343614.db2.gz OSYSCAHHXNSOQJ-IBGZPJMESA-N 0 0 426.517 4.370 40 0 IIABRN CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1)C(=O)C(C)(C)O2 ZINC000012876009 521350607 /nfs/dbraw/zinc/35/06/07/521350607.db2.gz SADZZDCGKOIVHS-UHFFFAOYSA-N 0 0 437.540 4.056 40 0 IIABRN CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccccc2)C1 ZINC000012156738 521355624 /nfs/dbraw/zinc/35/56/24/521355624.db2.gz DEBZKXYTURFWAE-BWKNWUBXSA-N 0 0 438.499 4.195 40 0 IIABRN CCOC(=O)c1ccc(S(=O)(=O)n2c(Cc3cccs3)nc3ccccc32)cc1 ZINC000035312360 521530490 /nfs/dbraw/zinc/53/04/90/521530490.db2.gz GWAHKHBNXNSQOA-UHFFFAOYSA-N 0 0 426.519 4.102 40 0 IIABRN CCOC(=O)c1sc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)nc1C ZINC000012636653 521612515 /nfs/dbraw/zinc/61/25/15/521612515.db2.gz JCMJWYFAJWCZGZ-UHFFFAOYSA-N 0 0 436.584 4.289 40 0 IIABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1c(Cl)cccc1Cl ZINC000022252715 521658646 /nfs/dbraw/zinc/65/86/46/521658646.db2.gz LSEXWPHWJOXHGQ-UHFFFAOYSA-N 0 0 447.340 4.049 40 0 IIABRN CCOCCCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)s1 ZINC000012492044 521703874 /nfs/dbraw/zinc/70/38/74/521703874.db2.gz OWPKCOHLOSAUJG-QGZVFWFLSA-N 0 0 434.524 4.364 40 0 IIABRN COc1cc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)ccn1 ZINC000012181256 522077266 /nfs/dbraw/zinc/07/72/66/522077266.db2.gz WLCSERGSQYDRDG-USXIJHARSA-N 0 0 437.466 4.208 40 0 IIABRN CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)Cc3cccc(F)c3)cc2)n1 ZINC000012222403 522340536 /nfs/dbraw/zinc/34/05/36/522340536.db2.gz NWFDRFPKIASFIU-UHFFFAOYSA-N 0 0 441.510 4.270 40 0 IIABRN CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C3[C@@H]4CCCC[C@H]34)cc2)n1 ZINC000012222372 522340552 /nfs/dbraw/zinc/34/05/52/522340552.db2.gz WLZYGNWOFGFJEX-DETIRCLXSA-N 0 0 427.552 4.324 40 0 IIABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1 ZINC000020451859 522526095 /nfs/dbraw/zinc/52/60/95/522526095.db2.gz HSDNJOPQHFVJJB-NRFANRHFSA-N 0 0 430.570 4.141 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020456497 522681109 /nfs/dbraw/zinc/68/11/09/522681109.db2.gz GJRAHKVIDUPSDA-GOSISDBHSA-N 0 0 429.369 4.335 40 0 IIABRN CCc1nn(CC(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc3sccc3n21 ZINC000012115301 522702926 /nfs/dbraw/zinc/70/29/26/522702926.db2.gz WNUOVKBMCYMDNH-UHFFFAOYSA-N 0 0 442.544 4.179 40 0 IIABRN COCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 ZINC000012327030 522788942 /nfs/dbraw/zinc/78/89/42/522788942.db2.gz BKOXCXQFGXPKEW-UHFFFAOYSA-N 0 0 425.485 4.127 40 0 IIABRN COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCC2)c1 ZINC000012493164 522844305 /nfs/dbraw/zinc/84/43/05/522844305.db2.gz UUHQNTVSTQCIST-UHFFFAOYSA-N 0 0 445.523 4.188 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)C(C)(C)C)CC2 ZINC000035313504 523039970 /nfs/dbraw/zinc/03/99/70/523039970.db2.gz ABOBGWCTKVDLAS-QHCPKHFHSA-N 0 0 434.536 4.374 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3ccc(C)cc3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035313463 523048889 /nfs/dbraw/zinc/04/88/89/523048889.db2.gz DBMHQDIOMUONCK-XMMPIXPASA-N 0 0 432.520 4.128 40 0 IIABRN COc1ccc(-c2cs/c(=N\c3cc(C)ccc3C)n2N2CCOCC2)cc1OC ZINC000022763144 523159277 /nfs/dbraw/zinc/15/92/77/523159277.db2.gz BLLOWDZFECVKQF-VHXPQNKSSA-N 0 0 425.554 4.051 40 0 IIABRN CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCC(C(=O)c2cccnc2)CC1 ZINC000012276301 523712523 /nfs/dbraw/zinc/71/25/23/523712523.db2.gz 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Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c1C ZINC000035312770 524508737 /nfs/dbraw/zinc/50/87/37/524508737.db2.gz ZMOXOKXUOLHAMJ-JOCHJYFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)c1C ZINC000015935897 524511511 /nfs/dbraw/zinc/51/15/11/524511511.db2.gz LXVYYPXHSWRDEP-QFIPXVFZSA-N 0 0 449.580 4.387 40 0 IIABRN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(OC)c1 ZINC000020460570 524638263 /nfs/dbraw/zinc/63/82/63/524638263.db2.gz JRBSYSFSCCEHQN-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020449579 524640261 /nfs/dbraw/zinc/64/02/61/524640261.db2.gz PUOUSUPYXIAATP-HNNXBMFYSA-N 0 0 440.496 4.227 40 0 IIABRN Cc1ccc(Cl)cc1N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccco1 ZINC000035312137 524727493 /nfs/dbraw/zinc/72/74/93/524727493.db2.gz WNEMOWXLTFTAEA-KRWDZBQOSA-N 0 0 432.933 4.396 40 0 IIABRN COc1ccccc1[C@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccccc1C ZINC000012868301 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COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000022528305 526215381 /nfs/dbraw/zinc/21/53/81/526215381.db2.gz PSXWIGIJULKJGU-UHFFFAOYSA-N 0 0 449.532 4.012 40 0 IIABRN Cc1ccc2nc(COc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)cc(=O)n2c1 ZINC000041086253 526250277 /nfs/dbraw/zinc/25/02/77/526250277.db2.gz MIOJZXWFCUCSGE-UHFFFAOYSA-N 0 0 443.503 4.216 40 0 IIABRN O=C(CC1=N[C@@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccccc1)c1ccccc1 ZINC000017142975 526340910 /nfs/dbraw/zinc/34/09/10/526340910.db2.gz QPPGTWVGCUMGHE-AREMUKBSSA-N 0 0 435.483 4.161 40 0 IIABRN Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2C)n1 ZINC000035290417 526387459 /nfs/dbraw/zinc/38/74/59/526387459.db2.gz UPHRDYIJRLPJQW-UHFFFAOYSA-N 0 0 436.566 4.442 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(Cl)cc1Cl ZINC000016960843 526594889 /nfs/dbraw/zinc/59/48/89/526594889.db2.gz JAQHRJQFCQFXCT-UHFFFAOYSA-N 0 0 441.380 4.027 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000035289669 526735287 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40 0 IIABRN COc1ccc([C@@H]2S/C(=C\c3ccc(O)cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000001633755 555707390 /nfs/dbraw/zinc/70/73/90/555707390.db2.gz USNKAGHCIDPJNQ-GMPUOFRTSA-N 0 0 446.528 4.290 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccccc1Cl ZINC000408531156 555730095 /nfs/dbraw/zinc/73/00/95/555730095.db2.gz MJRUPHNJFUKHBI-UHFFFAOYSA-N 0 0 443.352 4.186 40 0 IIABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)c1 ZINC000408542274 555790375 /nfs/dbraw/zinc/79/03/75/555790375.db2.gz IPDAIWMLMSBPDQ-UHFFFAOYSA-N 0 0 447.358 4.298 40 0 IIABRN Cc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408546062 555811215 /nfs/dbraw/zinc/81/12/15/555811215.db2.gz QALVKGGZEVCPNN-UHFFFAOYSA-N 0 0 442.968 4.469 40 0 IIABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000408553186 555882128 /nfs/dbraw/zinc/88/21/28/555882128.db2.gz OUQFGCOFDKSESK-ZDUSSCGKSA-N 0 0 437.348 4.130 40 0 IIABRN CCn1c(COc2ccccc2F)nnc1Sc1oc(C=O)cc1Br ZINC000408554865 555884806 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IIABRN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC)cc1 ZINC000009494516 556294896 /nfs/dbraw/zinc/29/48/96/556294896.db2.gz AIYDJJKYKLNSGG-UHFFFAOYSA-N 0 0 439.541 4.048 40 0 IIABRN CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000010008712 556320763 /nfs/dbraw/zinc/32/07/63/556320763.db2.gz PZVFMFUFALXWLC-UHFFFAOYSA-N 0 0 428.598 4.423 40 0 IIABRN CN(c1ccc(C(=O)NCCSc2ccccc2)cc1)S(=O)(=O)c1cccs1 ZINC000010009602 556321423 /nfs/dbraw/zinc/32/14/23/556321423.db2.gz KELNXISGTPXWGW-UHFFFAOYSA-N 0 0 432.592 4.095 40 0 IIABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1N1CCCC1 ZINC000010009932 556321631 /nfs/dbraw/zinc/32/16/31/556321631.db2.gz RQJFJAMISXSSNR-UHFFFAOYSA-N 0 0 429.586 4.153 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000010275929 556329041 /nfs/dbraw/zinc/32/90/41/556329041.db2.gz RTGQYQPOTSMZCR-KRWDZBQOSA-N 0 0 444.597 4.268 40 0 IIABRN C[C@H]1Cc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010324938 556330868 /nfs/dbraw/zinc/33/08/68/556330868.db2.gz KINQENXBBUNXGG-INIZCTEOSA-N 0 0 440.952 4.410 40 0 IIABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010326898 556331471 /nfs/dbraw/zinc/33/14/71/556331471.db2.gz WTVFYTWJGVFDIP-KRWDZBQOSA-N 0 0 436.533 4.396 40 0 IIABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCCc4ccccc4)cc3C[C@H]2C)cc1 ZINC000010326487 556331543 /nfs/dbraw/zinc/33/15/43/556331543.db2.gz RREZCYGLLXTHCV-LJQANCHMSA-N 0 0 434.561 4.107 40 0 IIABRN Cc1ccc(CSCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000010334244 556332778 /nfs/dbraw/zinc/33/27/78/556332778.db2.gz NMNIEALPHMWMIB-UHFFFAOYSA-N 0 0 440.590 4.459 40 0 IIABRN O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692540 556337521 /nfs/dbraw/zinc/33/75/21/556337521.db2.gz FQMJZUFVVFLRGD-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000014233595 556398854 /nfs/dbraw/zinc/39/88/54/556398854.db2.gz RTFQVQJTUWMOIK-IBGZPJMESA-N 0 0 438.549 4.076 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000014369878 556414671 /nfs/dbraw/zinc/41/46/71/556414671.db2.gz GPPYFHFEKNLKFG-LJQANCHMSA-N 0 0 438.549 4.076 40 0 IIABRN Cc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)cc1 ZINC000014577291 556427314 /nfs/dbraw/zinc/42/73/14/556427314.db2.gz RVEJEBISZURVIJ-XMMPIXPASA-N 0 0 434.561 4.299 40 0 IIABRN O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000029026683 556465916 /nfs/dbraw/zinc/46/59/16/556465916.db2.gz MFVFZMNSLIRCDB-QGZVFWFLSA-N 0 0 446.544 4.187 40 0 IIABRN Cc1cc(-c2cc3nc(C)c(C)c(N4[C@@H]5CC[C@H]4CC(O)(c4ccc(F)cc4)C5)n3n2)no1 ZINC000013225833 556499377 /nfs/dbraw/zinc/49/93/77/556499377.db2.gz RFWWXEWEDRHWGI-WPUZRXDDSA-N 0 0 447.514 4.468 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000030758106 556505119 /nfs/dbraw/zinc/50/51/19/556505119.db2.gz UVVJYZQWFMSANY-HSZRJFAPSA-N 0 0 426.582 4.223 40 0 IIABRN CC[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000030866410 556512223 /nfs/dbraw/zinc/51/22/23/556512223.db2.gz FDLBLJUWHWNYQR-BEFAXECRSA-N 0 0 438.977 4.079 40 0 IIABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1)c1ccccc1 ZINC000030868251 556512837 /nfs/dbraw/zinc/51/28/37/556512837.db2.gz XOATVRYOHOQCQM-HXUWFJFHSA-N 0 0 443.547 4.262 40 0 IIABRN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3nc(-c4ccnn4C)cs3)c12 ZINC000036616060 556516193 /nfs/dbraw/zinc/51/61/93/556516193.db2.gz AXESMMRRDFPUMK-UHFFFAOYSA-N 0 0 443.536 4.206 40 0 IIABRN O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000031639068 556525106 /nfs/dbraw/zinc/52/51/06/556525106.db2.gz VDNHJYGCJRXABG-GOSISDBHSA-N 0 0 428.554 4.047 40 0 IIABRN O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000031639071 556525150 /nfs/dbraw/zinc/52/51/50/556525150.db2.gz VDNHJYGCJRXABG-SFHVURJKSA-N 0 0 428.554 4.047 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OC ZINC000013581389 556527656 /nfs/dbraw/zinc/52/76/56/556527656.db2.gz FWNRDXSZQUVWAS-UHFFFAOYSA-N 0 0 431.341 4.285 40 0 IIABRN O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000015438695 556527792 /nfs/dbraw/zinc/52/77/92/556527792.db2.gz HTUGEVAZFFVHON-UHFFFAOYSA-N 0 0 434.876 4.297 40 0 IIABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)cc1 ZINC000015438874 556528215 /nfs/dbraw/zinc/52/82/15/556528215.db2.gz CDFIQXZQVOILQM-UHFFFAOYSA-N 0 0 444.484 4.043 40 0 IIABRN Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000013583129 556528681 /nfs/dbraw/zinc/52/86/81/556528681.db2.gz YEPKIYGFZSPQST-UHFFFAOYSA-N 0 0 434.561 4.299 40 0 IIABRN Cc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101092 556529063 /nfs/dbraw/zinc/52/90/63/556529063.db2.gz HDHLHSMYLWHOHN-KRWDZBQOSA-N 0 0 427.220 4.259 40 0 IIABRN Cc1cc(OCC(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc(C)c1Cl ZINC000032111922 556530592 /nfs/dbraw/zinc/53/05/92/556530592.db2.gz BJXHAADGFCJLPY-UHFFFAOYSA-N 0 0 433.961 4.443 40 0 IIABRN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)cc4C)cc3n2)cc1 ZINC000032125052 556534080 /nfs/dbraw/zinc/53/40/80/556534080.db2.gz MMMSEWNZNNPFBE-UHFFFAOYSA-N 0 0 445.548 4.481 40 0 IIABRN CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000032125207 556534589 /nfs/dbraw/zinc/53/45/89/556534589.db2.gz XCZNHXIZQJKEOH-UHFFFAOYSA-N 0 0 431.583 4.032 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015563956 556534989 /nfs/dbraw/zinc/53/49/89/556534989.db2.gz AHSYDXMGFBCJQB-KRWDZBQOSA-N 0 0 426.513 4.378 40 0 IIABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)nn12 ZINC000032126380 556535505 /nfs/dbraw/zinc/53/55/05/556535505.db2.gz JQOSSNSUKBXLDI-UHFFFAOYSA-N 0 0 442.957 4.250 40 0 IIABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccc3ccccc3c2)CC1 ZINC000032127656 556536623 /nfs/dbraw/zinc/53/66/23/556536623.db2.gz UMWPDSVHTGJIGG-UHFFFAOYSA-N 0 0 431.536 4.162 40 0 IIABRN COc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1Br ZINC000032127832 556536834 /nfs/dbraw/zinc/53/68/34/556536834.db2.gz IYZMMHXQLAZWBP-UHFFFAOYSA-N 0 0 448.342 4.156 40 0 IIABRN CC(C)Oc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000032286606 556537427 /nfs/dbraw/zinc/53/74/27/556537427.db2.gz FSMCXNQDORQYNM-MRXNPFEDSA-N 0 0 436.961 4.167 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1cccc(Cl)c1)N2Cc1ccc(Cl)cc1 ZINC000032508732 556540498 /nfs/dbraw/zinc/54/04/98/556540498.db2.gz GOJCCQAJPRXODF-MSOLQXFVSA-N 0 0 441.405 4.264 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)c1 ZINC000013635626 556540786 /nfs/dbraw/zinc/54/07/86/556540786.db2.gz FEZIKRSMDRIICY-UHFFFAOYSA-N 0 0 437.887 4.331 40 0 IIABRN CN1c2ccccc2[C@]2(c3[nH]c4ccccc4c3CCN2C(=O)NC2CCCCC2)C1=O ZINC000013635372 556540801 /nfs/dbraw/zinc/54/08/01/556540801.db2.gz HXKUGTREWZZPRQ-SANMLTNESA-N 0 0 428.536 4.288 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccccc3Cl)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640503 556545118 /nfs/dbraw/zinc/54/51/18/556545118.db2.gz STVQYEBLSDAKTK-IAGOWNOFSA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(c3cccc(Cl)c3)[C@H]2C1 ZINC000032640998 556545620 /nfs/dbraw/zinc/54/56/20/556545620.db2.gz PGIVLAUBUUPBDS-IRXDYDNUSA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1F)N2c1cc(Cl)cc(Cl)c1 ZINC000032641173 556546008 /nfs/dbraw/zinc/54/60/08/556546008.db2.gz ULBOUNUBCMQMIL-SJORKVTESA-N 0 0 445.368 4.408 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2C)cc1 ZINC000013670022 556550968 /nfs/dbraw/zinc/55/09/68/556550968.db2.gz PMXPPIBEBWAASY-FQEVSTJZSA-N 0 0 434.561 4.477 40 0 IIABRN Cc1cccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000013670502 556551296 /nfs/dbraw/zinc/55/12/96/556551296.db2.gz IWBPYJBFBJQKEU-UHFFFAOYSA-N 0 0 442.968 4.469 40 0 IIABRN C[C@@H]1CCCN(C(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)C1 ZINC000013670590 556551587 /nfs/dbraw/zinc/55/15/87/556551587.db2.gz DAKYZAGKULVYJI-YHLJFGAHSA-N 0 0 444.641 4.179 40 0 IIABRN Cc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013674165 556553631 /nfs/dbraw/zinc/55/36/31/556553631.db2.gz SQYWNKYWXUZPKL-HXUWFJFHSA-N 0 0 434.561 4.477 40 0 IIABRN Cc1ccc(C)c(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccccc2)c1 ZINC000013674311 556553981 /nfs/dbraw/zinc/55/39/81/556553981.db2.gz JJRAXLULJIXUMX-UHFFFAOYSA-N 0 0 434.561 4.478 40 0 IIABRN Cc1ccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000013681431 556556872 /nfs/dbraw/zinc/55/68/72/556556872.db2.gz BKQCTQUKGJQUPC-UHFFFAOYSA-N 0 0 442.625 4.331 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000015940750 556566356 /nfs/dbraw/zinc/56/63/56/556566356.db2.gz PZRXSEVUCWGUGO-UHFFFAOYSA-N 0 0 435.549 4.018 40 0 IIABRN Cc1ccc(O)c(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1 ZINC000016291024 556597600 /nfs/dbraw/zinc/59/76/00/556597600.db2.gz PKGYFBOXPAQWIO-UHFFFAOYSA-N 0 0 446.697 4.085 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036623197 556598627 /nfs/dbraw/zinc/59/86/27/556598627.db2.gz LXZJXVQYIDJGSI-MRXNPFEDSA-N 0 0 434.989 4.181 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccccc2F)cc1 ZINC000016309607 556599110 /nfs/dbraw/zinc/59/91/10/556599110.db2.gz RASVRHLOOQQYET-SFHVURJKSA-N 0 0 426.513 4.207 40 0 IIABRN CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000036631393 556599168 /nfs/dbraw/zinc/59/91/68/556599168.db2.gz CPFWIPHXQKAWGU-OAHLLOKOSA-N 0 0 442.541 4.186 40 0 IIABRN Cc1ccc(S[C@]2(CN3CCOCC3)COc3ccc(Br)cc3C2=O)cc1 ZINC000016310916 556599622 /nfs/dbraw/zinc/59/96/22/556599622.db2.gz NLEKJJHKINMMFY-OAQYLSRUSA-N 0 0 448.382 4.196 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Cl ZINC000016312970 556600080 /nfs/dbraw/zinc/60/00/80/556600080.db2.gz AVQGLKWAXHEUAA-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000036892941 556600644 /nfs/dbraw/zinc/60/06/44/556600644.db2.gz KYNIBFOYBJPQEO-UHFFFAOYSA-N 0 0 440.609 4.346 40 0 IIABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000016479570 556611377 /nfs/dbraw/zinc/61/13/77/556611377.db2.gz ZIGKSWFQYIFJOE-UHFFFAOYSA-N 0 0 432.904 4.309 40 0 IIABRN O=C(c1ccc(CS(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038752053 556615900 /nfs/dbraw/zinc/61/59/00/556615900.db2.gz PFZYTVORXOQYNY-UHFFFAOYSA-N 0 0 448.588 4.455 40 0 IIABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000038755189 556617488 /nfs/dbraw/zinc/61/74/88/556617488.db2.gz SBNYQHBEPOKEEH-MRXNPFEDSA-N 0 0 436.961 4.311 40 0 IIABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038756445 556618059 /nfs/dbraw/zinc/61/80/59/556618059.db2.gz ULSMVHJTCKFLHJ-RDPSFJRHSA-N 0 0 436.577 4.364 40 0 IIABRN CN(C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000038756068 556618125 /nfs/dbraw/zinc/61/81/25/556618125.db2.gz SASBVKXJEQOULO-UHFFFAOYSA-N 0 0 441.380 4.198 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000038756532 556618373 /nfs/dbraw/zinc/61/83/73/556618373.db2.gz BQVJAHYFIWYOCY-SFHVURJKSA-N 0 0 438.549 4.401 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000038771946 556619292 /nfs/dbraw/zinc/61/92/92/556619292.db2.gz MDNVSDASJXTBBM-LJQANCHMSA-N 0 0 432.586 4.126 40 0 IIABRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N(C(C)=O)N1C ZINC000016682594 556624573 /nfs/dbraw/zinc/62/45/73/556624573.db2.gz MQHINXKMGXIHBJ-IBGZPJMESA-N 0 0 435.311 4.084 40 0 IIABRN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC000514290181 556626189 /nfs/dbraw/zinc/62/61/89/556626189.db2.gz UKEVVWVWGJBMAQ-IRLDBZIGSA-N 0 0 426.488 4.411 40 0 biogenic,in-vitro IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(Cl)c2Cl)cc1C ZINC000039986194 556632685 /nfs/dbraw/zinc/63/26/85/556632685.db2.gz VJRCMVBJZWORHJ-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1OC ZINC000039986402 556633067 /nfs/dbraw/zinc/63/30/67/556633067.db2.gz LYPVOWDRKPLXQT-UHFFFAOYSA-N 0 0 431.341 4.285 40 0 IIABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000100977399 556633561 /nfs/dbraw/zinc/63/35/61/556633561.db2.gz OXYHMUFBTGERQS-VXNXHJTFSA-N 0 0 444.487 4.232 40 0 IIABRN CCNc1nc(NCC)nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000016739861 556634186 /nfs/dbraw/zinc/63/41/86/556634186.db2.gz NNNREFBZPAYYAW-UHFFFAOYSA-N 0 0 435.768 4.426 40 0 IIABRN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397513 556639773 /nfs/dbraw/zinc/63/97/73/556639773.db2.gz LCUFJGMKMUHGQV-UHFFFAOYSA-N 0 0 443.894 4.311 40 0 IIABRN O=C(NCCCc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000044839793 556668287 /nfs/dbraw/zinc/66/82/87/556668287.db2.gz KIBJVWLIDDHXIW-UHFFFAOYSA-N 0 0 434.989 4.018 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000044842112 556668633 /nfs/dbraw/zinc/66/86/33/556668633.db2.gz GVYZYDXGEMRLSN-QGZVFWFLSA-N 0 0 444.503 4.346 40 0 IIABRN CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)C1CCCCC1 ZINC000044880191 556674104 /nfs/dbraw/zinc/67/41/04/556674104.db2.gz LKNADEBSLAQVIA-OAQYLSRUSA-N 0 0 448.972 4.087 40 0 IIABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc(C)cc1 ZINC000044880454 556674153 /nfs/dbraw/zinc/67/41/53/556674153.db2.gz JDHFWPUOBAZYPQ-QFIPXVFZSA-N 0 0 449.016 4.458 40 0 IIABRN CCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000044883195 556674432 /nfs/dbraw/zinc/67/44/32/556674432.db2.gz CVZWVOGIIRAPAF-UHFFFAOYSA-N 0 0 444.940 4.470 40 0 IIABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000044900111 556677022 /nfs/dbraw/zinc/67/70/22/556677022.db2.gz NDGKNXJXZQSJEB-AWEZNQCLSA-N 0 0 429.369 4.115 40 0 IIABRN CC[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044902960 556678676 /nfs/dbraw/zinc/67/86/76/556678676.db2.gz FBWCFDWOVPZKOX-DYVFJYSZSA-N 0 0 429.369 4.415 40 0 IIABRN CCSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000044938723 556683324 /nfs/dbraw/zinc/68/33/24/556683324.db2.gz QSTXOOHCUMXQEB-IBGZPJMESA-N 0 0 448.610 4.262 40 0 IIABRN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000018131138 556684434 /nfs/dbraw/zinc/68/44/34/556684434.db2.gz IYDBOEQZUXFYDK-JOCHJYFZSA-N 0 0 432.561 4.130 40 0 IIABRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000000797489 556696021 /nfs/dbraw/zinc/69/60/21/556696021.db2.gz DPYMYNOPGLMJBZ-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN COc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000000800248 556696384 /nfs/dbraw/zinc/69/63/84/556696384.db2.gz KYZVRTWUXBWISI-KRWDZBQOSA-N 0 0 426.460 4.452 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)cc2N1 ZINC000019082339 556697403 /nfs/dbraw/zinc/69/74/03/556697403.db2.gz LSIAOMLXSQPCSA-MXSMSXNCSA-N 0 0 442.526 4.492 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)cc2N1 ZINC000019083280 556697568 /nfs/dbraw/zinc/69/75/68/556697568.db2.gz GQRBACUTVIGEAX-LUKYLMHMSA-N 0 0 428.499 4.449 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C[C@H]4CCCO4)C3)cc2N1 ZINC000019083357 556697914 /nfs/dbraw/zinc/69/79/14/556697914.db2.gz QTIRFSGUARRBFN-CIRFHOKZSA-N 0 0 442.526 4.492 40 0 IIABRN COc1cccc(Cc2cccc([C@@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)c1 ZINC000257199879 556700846 /nfs/dbraw/zinc/70/08/46/556700846.db2.gz ABDBJPPGPRETTN-SANMLTNESA-N 0 0 441.531 4.305 40 0 IIABRN COc1cccc(-c2cccc(CC3(C(=O)NCCCn4ccnc4)CCOCC3)c2)c1 ZINC000257212022 556702687 /nfs/dbraw/zinc/70/26/87/556702687.db2.gz CBOYVLWCZVCRSZ-UHFFFAOYSA-N 0 0 433.552 4.105 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H](C)Oc3ccccc3F)C1)N2 ZINC000019127361 556703579 /nfs/dbraw/zinc/70/35/79/556703579.db2.gz YXRDPMBEVCFVNQ-MXSMSXNCSA-N 0 0 436.478 4.027 40 0 IIABRN COc1ccc(C)cc1CC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1C ZINC000019133024 556705071 /nfs/dbraw/zinc/70/50/71/556705071.db2.gz VCWHTCDGKBQROE-QFIPXVFZSA-N 0 0 445.567 4.136 40 0 IIABRN Cc1ccc(C2(C(=O)N[C@@H](c3cc(=O)n4nc(-c5ccccn5)cc4[nH]3)C(C)C)CC2)cc1 ZINC000019136845 556706376 /nfs/dbraw/zinc/70/63/76/556706376.db2.gz ASTYLOCVZQLIHH-XMMPIXPASA-N 0 0 441.535 4.350 40 0 IIABRN COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CCN(C(=O)Cc3ccc(C)cc3)C2)cc1 ZINC000019209198 556708266 /nfs/dbraw/zinc/70/82/66/556708266.db2.gz STMSSHZYIYZUGY-MUUNZHRXSA-N 0 0 442.559 4.160 40 0 IIABRN Cc1ccc(CC(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)cc1 ZINC000019209980 556708827 /nfs/dbraw/zinc/70/88/27/556708827.db2.gz LHTDDOQPFIAQOB-UHFFFAOYSA-N 0 0 429.568 4.298 40 0 IIABRN COc1ccccc1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccc(C)cc2)C1 ZINC000019212909 556710732 /nfs/dbraw/zinc/71/07/32/556710732.db2.gz ABOONFWOJCZSCA-JOCHJYFZSA-N 0 0 428.532 4.102 40 0 IIABRN CCCN1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257264220 556712683 /nfs/dbraw/zinc/71/26/83/556712683.db2.gz LTKKRRDAZSXASA-HSZRJFAPSA-N 0 0 443.547 4.008 40 0 IIABRN O=C(c1ccccc1Cn1cccn1)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257268380 556713506 /nfs/dbraw/zinc/71/35/06/556713506.db2.gz MLKWYBRACMYQPF-RPBOFIJWSA-N 0 0 442.563 4.117 40 0 IIABRN COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)c3cccc(Cn4ccnc4)c3)n2)cc1 ZINC000257266674 556713531 /nfs/dbraw/zinc/71/35/31/556713531.db2.gz MEACQNPPVVKLSR-DEOSSOPVSA-N 0 0 439.519 4.374 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccccc1OC(F)F ZINC000257275018 556714000 /nfs/dbraw/zinc/71/40/00/556714000.db2.gz NNPSBUDEPUKHJR-QPPBQGQZSA-N 0 0 446.494 4.067 40 0 IIABRN COc1cccc(-c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)c1 ZINC000257281572 556714888 /nfs/dbraw/zinc/71/48/88/556714888.db2.gz OPXFDCPMIWZDQX-UHFFFAOYSA-N 0 0 430.548 4.455 40 0 IIABRN Cc1ccc2c(CC(=O)N[C@@H](C)c3nc4cc(-c5ccccc5F)ncn4n3)coc2c1 ZINC000019221671 556715770 /nfs/dbraw/zinc/71/57/70/556715770.db2.gz OPBFXQFWSMFPLH-HNNXBMFYSA-N 0 0 429.455 4.405 40 0 IIABRN Cc1cccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)c1 ZINC000019234830 556719406 /nfs/dbraw/zinc/71/94/06/556719406.db2.gz IWVGGUHFUFVSHM-QHCPKHFHSA-N 0 0 427.552 4.283 40 0 IIABRN Cc1cccc(CCC(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)n1 ZINC000019236086 556720798 /nfs/dbraw/zinc/72/07/98/556720798.db2.gz PQXHIOHZXMMWQF-UHFFFAOYSA-N 0 0 442.567 4.155 40 0 IIABRN Cc1cc2nc(C3CCN(C(=O)CCc4cccc(C)n4)CC3)cc(C(F)(F)F)n2n1 ZINC000019236087 556720846 /nfs/dbraw/zinc/72/08/46/556720846.db2.gz VTYKPMFLVMGRFF-UHFFFAOYSA-N 0 0 431.462 4.099 40 0 IIABRN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCC(C)C)c(Cl)c3n2)cc1 ZINC000000848548 556721564 /nfs/dbraw/zinc/72/15/64/556721564.db2.gz BPYCOYBRYHYQPF-UHFFFAOYSA-N 0 0 426.826 4.463 40 0 IIABRN COc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3cccc(-c4ccccc4C)c3)C2)cc1 ZINC000019237460 556722208 /nfs/dbraw/zinc/72/22/08/556722208.db2.gz YZIOSBOMKZOIFF-DEOSSOPVSA-N 0 0 442.559 4.030 40 0 IIABRN CCOc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000000857946 556722534 /nfs/dbraw/zinc/72/25/34/556722534.db2.gz MMJMVOHBHZDQNP-UHFFFAOYSA-N 0 0 442.512 4.367 40 0 IIABRN Cc1cc(C)cc(NC(=O)CSc2nc(-c3cccnc3)nn2C(=O)c2ccccc2)c1 ZINC000000858860 556723037 /nfs/dbraw/zinc/72/30/37/556723037.db2.gz XMAMYMKYRFKWGQ-UHFFFAOYSA-N 0 0 443.532 4.376 40 0 IIABRN Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1C ZINC000019239691 556724991 /nfs/dbraw/zinc/72/49/91/556724991.db2.gz FLIRFBGKJFWPCM-JOCHJYFZSA-N 0 0 448.571 4.204 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)COc1ccccc1C ZINC000000870719 556725181 /nfs/dbraw/zinc/72/51/81/556725181.db2.gz FEAKHTCAQBTMJZ-UHFFFAOYSA-N 0 0 438.505 4.421 40 0 IIABRN Cc1cnccc1-c1cnc(C)nc1[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)nn1C ZINC000019239742 556725444 /nfs/dbraw/zinc/72/54/44/556725444.db2.gz HJOYNHJGMZQAPZ-KRWDZBQOSA-N 0 0 444.461 4.275 40 0 IIABRN COc1cccc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c1 ZINC000019239760 556725693 /nfs/dbraw/zinc/72/56/93/556725693.db2.gz GLUGMNXDYKRIID-QFIPXVFZSA-N 0 0 431.540 4.289 40 0 IIABRN COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000000873462 556728062 /nfs/dbraw/zinc/72/80/62/556728062.db2.gz UDZPYOHCNSOPBL-UHFFFAOYSA-N 0 0 439.415 4.407 40 0 IIABRN Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000000874898 556728303 /nfs/dbraw/zinc/72/83/03/556728303.db2.gz DNIIQTGOHMQIKR-JOCHJYFZSA-N 0 0 449.620 4.243 40 0 IIABRN Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000874650 556728963 /nfs/dbraw/zinc/72/89/63/556728963.db2.gz GPXBVXQNKDMHPX-FQEVSTJZSA-N 0 0 425.529 4.354 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCc3ccccc3)cc12 ZINC000000878609 556730581 /nfs/dbraw/zinc/73/05/81/556730581.db2.gz HJWKHGHZOYDMIM-QFIPXVFZSA-N 0 0 449.620 4.243 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCc3ccccc3)cc12 ZINC000000878606 556730664 /nfs/dbraw/zinc/73/06/64/556730664.db2.gz HJWKHGHZOYDMIM-JOCHJYFZSA-N 0 0 449.620 4.243 40 0 IIABRN Cc1cc2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1C ZINC000000878961 556730839 /nfs/dbraw/zinc/73/08/39/556730839.db2.gz 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O=C([C@H]1CCCCO1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294156 556734048 /nfs/dbraw/zinc/73/40/48/556734048.db2.gz DLGKRWXZEOFAPP-XMSQKQJNSA-N 0 0 447.514 4.306 40 0 IIABRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000019341343 556740131 /nfs/dbraw/zinc/74/01/31/556740131.db2.gz OPPBPRNKJPZOTE-CYBMUJFWSA-N 0 0 439.324 4.007 40 0 IIABRN Cc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000000899967 556741680 /nfs/dbraw/zinc/74/16/80/556741680.db2.gz MLMSYHUAHMVHCI-FQEVSTJZSA-N 0 0 440.544 4.492 40 0 IIABRN Cc1cccc(OCc2nnc(SCC(=O)NC3CCCC3)n2Cc2ccco2)c1C ZINC000000902861 556742668 /nfs/dbraw/zinc/74/26/68/556742668.db2.gz PYZGUJBNOTXJIB-UHFFFAOYSA-N 0 0 440.569 4.266 40 0 IIABRN O=C(c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1)N1CCc2cc(Cl)ccc21 ZINC000019345927 556742637 /nfs/dbraw/zinc/74/26/37/556742637.db2.gz NMEGKIJTSNJMPU-UHFFFAOYSA-N 0 0 427.932 4.427 40 0 IIABRN CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000000903351 556742907 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C[C@@H]1Cc2cc(-c3csc(NC(=O)CCC4CCCC4)n3)ccc2N1S(C)(=O)=O ZINC000001366069 556790743 /nfs/dbraw/zinc/79/07/43/556790743.db2.gz ZYBUXIJFFDGUSR-CQSZACIVSA-N 0 0 433.599 4.430 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cccnc3)cc2c1 ZINC000001366981 556791629 /nfs/dbraw/zinc/79/16/29/556791629.db2.gz WMTMQFPDVKCDLX-UHFFFAOYSA-N 0 0 427.504 4.207 40 0 IIABRN Cc1ccccc1N(C(=O)c1ccccn1)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 ZINC000001376618 556793826 /nfs/dbraw/zinc/79/38/26/556793826.db2.gz WEAHWXAXTWUYBS-RUZDIDTESA-N 0 0 436.515 4.490 40 0 IIABRN Cc1sc2ncnc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)c2c1C ZINC000001377211 556794450 /nfs/dbraw/zinc/79/44/50/556794450.db2.gz UHOQQSIWOCUOGU-UHFFFAOYSA-N 0 0 431.359 4.033 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnc(C)nc2C)C1 ZINC000019552420 556796208 /nfs/dbraw/zinc/79/62/08/556796208.db2.gz BWJNSMWTEZLBBG-RUZDIDTESA-N 0 0 448.592 4.033 40 0 IIABRN COc1ccc(CCC(=O)N2CC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)cc1 ZINC000019554456 556797937 /nfs/dbraw/zinc/79/79/37/556797937.db2.gz HZWCFGKCTZNEMB-SANMLTNESA-N 0 0 448.588 4.303 40 0 IIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1OC ZINC000019557163 556799565 /nfs/dbraw/zinc/79/95/65/556799565.db2.gz IOYHCPVEUGXEHR-PXTBKIQTSA-N 0 0 425.573 4.304 40 0 IIABRN Cc1nc(C)c(C(=O)N2C[C@H](c3ccc(CN4CCOCC4)cc3)[C@H]3CCCC[C@H]32)s1 ZINC000019560162 556801788 /nfs/dbraw/zinc/80/17/88/556801788.db2.gz XEVONQDFNXPPDT-DNVJHFABSA-N 0 0 439.625 4.391 40 0 IIABRN COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)Cc3sc(C)nc3C)n2)cc1 ZINC000019560515 556802049 /nfs/dbraw/zinc/80/20/49/556802049.db2.gz BRAIECNNJHZAFN-UHFFFAOYSA-N 0 0 447.564 4.053 40 0 IIABRN Cc1ncsc1C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019562039 556803259 /nfs/dbraw/zinc/80/32/59/556803259.db2.gz RKIQQQZSXWAWGQ-LSDHHAIUSA-N 0 0 437.560 4.488 40 0 IIABRN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(C(=O)c1cccs1)CC3)c1cccn1-2 ZINC000019562011 556803427 /nfs/dbraw/zinc/80/34/27/556803427.db2.gz QLSRVOOQUJDZEW-XMMPIXPASA-N 0 0 435.549 4.264 40 0 IIABRN Cc1ncsc1-c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000019563077 556804032 /nfs/dbraw/zinc/80/40/32/556804032.db2.gz TVIVHJXUAYTPIY-ZDUSSCGKSA-N 0 0 445.353 4.334 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)c1 ZINC000019564335 556805025 /nfs/dbraw/zinc/80/50/25/556805025.db2.gz ZZAWVWPXMAOVBX-RUZDIDTESA-N 0 0 434.561 4.374 40 0 IIABRN COc1ccccc1OCC(=O)N1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019564761 556805673 /nfs/dbraw/zinc/80/56/73/556805673.db2.gz CZMUOKZDZCGYSP-UHFFFAOYSA-N 0 0 431.439 4.262 40 0 IIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 ZINC000019569057 556809167 /nfs/dbraw/zinc/80/91/67/556809167.db2.gz QAJUPYVPWBHNIL-UHFFFAOYSA-N 0 0 447.413 4.227 40 0 IIABRN COc1ccccc1CC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 ZINC000019569532 556809681 /nfs/dbraw/zinc/80/96/81/556809681.db2.gz NVKVJKQYQSLEKQ-SANMLTNESA-N 0 0 448.588 4.303 40 0 IIABRN COc1ccccc1CCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2)C1 ZINC000019569871 556810192 /nfs/dbraw/zinc/81/01/92/556810192.db2.gz FXHVCLQNCPOWIG-DEOSSOPVSA-N 0 0 442.559 4.112 40 0 IIABRN Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Oc4ccc(N(C)C)cc4)cc(C)n3)C2)cn1 ZINC000019570343 556810352 /nfs/dbraw/zinc/81/03/52/556810352.db2.gz DZGCGQKCTGZKMI-LJQANCHMSA-N 0 0 431.540 4.367 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C ZINC000019571169 556811245 /nfs/dbraw/zinc/81/12/45/556811245.db2.gz QMVQMAPKDPMABG-QFIPXVFZSA-N 0 0 445.567 4.218 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C ZINC000019571149 556811356 /nfs/dbraw/zinc/81/13/56/556811356.db2.gz RZYATWQNNKJKSI-JOCHJYFZSA-N 0 0 445.567 4.136 40 0 IIABRN CS(=O)(=O)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000019572396 556812524 /nfs/dbraw/zinc/81/25/24/556812524.db2.gz IMOOEIWTACUAQV-GZBFAFLISA-N 0 0 434.509 4.092 40 0 IIABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019579360 556817115 /nfs/dbraw/zinc/81/71/15/556817115.db2.gz JXHRYRBBTQWUOH-VWLOTQADSA-N 0 0 433.577 4.363 40 0 IIABRN Cc1noc(C)c1CCC(=O)NCCn1ncc(-c2ccncc2)c1-c1ccc(F)cc1 ZINC000019580803 556819131 /nfs/dbraw/zinc/81/91/31/556819131.db2.gz TYIPAJXEFLRMKT-UHFFFAOYSA-N 0 0 433.487 4.105 40 0 IIABRN Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1 ZINC000004093109 556819813 /nfs/dbraw/zinc/81/98/13/556819813.db2.gz LXRLWTXBGGYYCP-UHFFFAOYSA-N 0 0 428.514 4.445 40 0 IIABRN CN(C)c1cc(C2CCN(C(=O)CCc3cccc(F)c3)CC2)nc(-c2cccnc2)n1 ZINC000019584457 556821942 /nfs/dbraw/zinc/82/19/42/556821942.db2.gz GIQDZCMVJCWFSA-UHFFFAOYSA-N 0 0 433.531 4.083 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccc(OC)nc2)C1 ZINC000019591183 556825980 /nfs/dbraw/zinc/82/59/80/556825980.db2.gz KGHZMDBIKHHESI-VWLOTQADSA-N 0 0 449.576 4.030 40 0 IIABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2cccnc2)C1 ZINC000019591228 556826229 /nfs/dbraw/zinc/82/62/29/556826229.db2.gz GZOLKOIYDDNVIH-AREMUKBSSA-N 0 0 431.511 4.099 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2ccccc2OC)C1 ZINC000019591513 556827112 /nfs/dbraw/zinc/82/71/12/556827112.db2.gz VSMKECFLQPDKEY-SANMLTNESA-N 0 0 448.588 4.174 40 0 IIABRN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000006090175 556829005 /nfs/dbraw/zinc/82/90/05/556829005.db2.gz LDYSSXJAAUWJFL-UHFFFAOYSA-N 0 0 431.521 4.459 40 0 IIABRN COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019593230 556829857 /nfs/dbraw/zinc/82/98/57/556829857.db2.gz IHUNIWWLXUFKNK-HTAPYJJXSA-N 0 0 436.383 4.494 40 0 IIABRN O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cc[nH]n1 ZINC000006445507 556833476 /nfs/dbraw/zinc/83/34/76/556833476.db2.gz DCJCSWSWGMNFNW-JOCHJYFZSA-N 0 0 438.478 4.130 40 0 IIABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCc1ccccc1)C1CCCCC1)OCO3 ZINC000006446571 556833605 /nfs/dbraw/zinc/83/36/05/556833605.db2.gz AJWXGXJLCRNYPZ-UHFFFAOYSA-N 0 0 449.576 4.466 40 0 IIABRN O=C(NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc2ccccc2o1 ZINC000019633576 556833812 /nfs/dbraw/zinc/83/38/12/556833812.db2.gz YMNHMJAADCTBGS-UHFFFAOYSA-N 0 0 441.468 4.360 40 0 IIABRN FC(F)(F)c1ccc2c(c1)ncn2C1CCN(Cc2nnnn2C2CCCCC2)CC1 ZINC000006547052 556838701 /nfs/dbraw/zinc/83/87/01/556838701.db2.gz NFMBFMNHHNDARJ-UHFFFAOYSA-N 0 0 433.482 4.384 40 0 IIABRN Cc1ccc2cc(CN(Cc3nnnn3C3CCCC3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000008582489 556842096 /nfs/dbraw/zinc/84/20/96/556842096.db2.gz NVLLWHAYXNBOKG-UHFFFAOYSA-N 0 0 428.540 4.141 40 0 IIABRN CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000019687953 556842456 /nfs/dbraw/zinc/84/24/56/556842456.db2.gz KUBHAYKSIGJMMM-HXUWFJFHSA-N 0 0 441.519 4.415 40 0 IIABRN C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 ZINC000019687851 556842475 /nfs/dbraw/zinc/84/24/75/556842475.db2.gz BHPYBCMLZVIICM-MRXNPFEDSA-N 0 0 435.959 4.359 40 0 IIABRN C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 ZINC000019687849 556842478 /nfs/dbraw/zinc/84/24/78/556842478.db2.gz BHPYBCMLZVIICM-INIZCTEOSA-N 0 0 435.959 4.359 40 0 IIABRN Cc1cc(NC(=O)CN2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)no1 ZINC000019688141 556842729 /nfs/dbraw/zinc/84/27/29/556842729.db2.gz YUWKDXUGCRKHIZ-QGZVFWFLSA-N 0 0 426.467 4.065 40 0 IIABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000008677176 556844191 /nfs/dbraw/zinc/84/41/91/556844191.db2.gz INFKTFRMKAIYGH-OAQYLSRUSA-N 0 0 436.464 4.106 40 0 IIABRN Cc1nnsc1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 ZINC000019689455 556844220 /nfs/dbraw/zinc/84/42/20/556844220.db2.gz SNIBZWZIWUXCIX-INIZCTEOSA-N 0 0 428.949 4.000 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)c1 ZINC000019689687 556844450 /nfs/dbraw/zinc/84/44/50/556844450.db2.gz UQZJAGSAMOOQNU-JOCHJYFZSA-N 0 0 434.515 4.264 40 0 IIABRN CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)CCn3nc(C)nc3C)C2)nc1 ZINC000019690325 556845869 /nfs/dbraw/zinc/84/58/69/556845869.db2.gz KPWZGDHCUQYAPN-QHCPKHFHSA-N 0 0 447.583 4.076 40 0 IIABRN Cc1nc(N)nc(C)c1CCC(=O)N1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019690339 556846117 /nfs/dbraw/zinc/84/61/17/556846117.db2.gz JQWICSLWGSLKQA-JOCHJYFZSA-N 0 0 429.568 4.000 40 0 IIABRN Cc1cc(Cc2ccc(Cl)cc2)cc([C@H]2CCCN2CC(=O)NCc2ccccn2)n1 ZINC000019690893 556846968 /nfs/dbraw/zinc/84/69/68/556846968.db2.gz DARAGUPUYONULY-XMMPIXPASA-N 0 0 434.971 4.483 40 0 IIABRN COc1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1 ZINC000019691771 556847378 /nfs/dbraw/zinc/84/73/78/556847378.db2.gz HIPQHBKYYDOEGN-QHCPKHFHSA-N 0 0 429.520 4.152 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCC(c4cc(-c5ccc(N)nc5)cc(C)n4)CC3)c2c1 ZINC000019692121 556848155 /nfs/dbraw/zinc/84/81/55/556848155.db2.gz LQLOQXNMLBWNGQ-UHFFFAOYSA-N 0 0 426.524 4.239 40 0 IIABRN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCCC4)C2)n1 ZINC000019693951 556849012 /nfs/dbraw/zinc/84/90/12/556849012.db2.gz HVLWRMRPRCRCJD-LJQANCHMSA-N 0 0 444.583 4.221 40 0 IIABRN CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000008823252 556849058 /nfs/dbraw/zinc/84/90/58/556849058.db2.gz PCIJNZQPEZLBGQ-UHFFFAOYSA-N 0 0 446.941 4.377 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cs1 ZINC000019694225 556849625 /nfs/dbraw/zinc/84/96/25/556849625.db2.gz MJOVPPCIEVUCME-QGZVFWFLSA-N 0 0 439.560 4.062 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cs1 ZINC000019694226 556849662 /nfs/dbraw/zinc/84/96/62/556849662.db2.gz MJOVPPCIEVUCME-KRWDZBQOSA-N 0 0 439.560 4.062 40 0 IIABRN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008901462 556851175 /nfs/dbraw/zinc/85/11/75/556851175.db2.gz BCJYXVAEPYBCFJ-SCTDSRPQSA-N 0 0 449.576 4.034 40 0 IIABRN COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CCN(C(=O)C2CCCC2)CC1 ZINC000019695126 556851277 /nfs/dbraw/zinc/85/12/77/556851277.db2.gz RJYITGUXYTYNQZ-UHFFFAOYSA-N 0 0 438.572 4.123 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)C2CCCCC2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019695833 556852702 /nfs/dbraw/zinc/85/27/02/556852702.db2.gz OSZKWIRLJNCJAG-JOCHJYFZSA-N 0 0 447.583 4.293 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCC(c2nc(-c3ccccc3)c(C(=O)N(C)C)[nH]2)CC1 ZINC000019696994 556854021 /nfs/dbraw/zinc/85/40/21/556854021.db2.gz IKIXRIVBMLSHQQ-UHFFFAOYSA-N 0 0 446.551 4.115 40 0 IIABRN CNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2c(C)nn(C(C)C)c2C)CCO1 ZINC000019697628 556855008 /nfs/dbraw/zinc/85/50/08/556855008.db2.gz XFLUNXNWXSPFAN-IBGZPJMESA-N 0 0 426.586 4.229 40 0 IIABRN CC(C)c1ccc(CN2Cc3cn(C)nc3[C@@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 ZINC000019701251 556861265 /nfs/dbraw/zinc/86/12/65/556861265.db2.gz CSXYDQQXIPHCSG-DEOSSOPVSA-N 0 0 434.559 4.141 40 0 IIABRN CCc1noc(C)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 ZINC000019705973 556863639 /nfs/dbraw/zinc/86/36/39/556863639.db2.gz JKJFXICBLSIQHI-QGZVFWFLSA-N 0 0 436.487 4.352 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)c1 ZINC000019709316 556870697 /nfs/dbraw/zinc/87/06/97/556870697.db2.gz YZQXAVCAIAJARV-DEOSSOPVSA-N 0 0 447.510 4.445 40 0 IIABRN Cc1c(CN2CCC[C@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)cnn1C ZINC000019740636 556881075 /nfs/dbraw/zinc/88/10/75/556881075.db2.gz OZVJSAWECKBTDI-QFIPXVFZSA-N 0 0 436.604 4.024 40 0 IIABRN Cc1nc([C@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)nc2c1CCC(=O)N2C ZINC000019741322 556883371 /nfs/dbraw/zinc/88/33/71/556883371.db2.gz MRFACWPLLWPNAR-SFHVURJKSA-N 0 0 432.572 4.004 40 0 IIABRN Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1c1cc(C(F)(F)F)c2c(N)n[nH]c2n1 ZINC000019743501 556888146 /nfs/dbraw/zinc/88/81/46/556888146.db2.gz NJAWAHXGNAVFBR-INIZCTEOSA-N 0 0 447.461 4.308 40 0 IIABRN Cc1nn(-c2ccccc2)c2nc(C3CCN(C(=O)COC[C@@H]4CCCCO4)CC3)ccc12 ZINC000019744632 556891006 /nfs/dbraw/zinc/89/10/06/556891006.db2.gz MJHOEQQCRLGSNV-QFIPXVFZSA-N 0 0 448.567 4.021 40 0 IIABRN CC[C@@H](C)NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408926888 556892208 /nfs/dbraw/zinc/89/22/08/556892208.db2.gz UUUIBTDYQWFRQU-CQSZACIVSA-N 0 0 429.369 4.099 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)o1 ZINC000019752511 556896188 /nfs/dbraw/zinc/89/61/88/556896188.db2.gz XLNHXYRDPLCFPG-OAQYLSRUSA-N 0 0 446.555 4.105 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755349 556898619 /nfs/dbraw/zinc/89/86/19/556898619.db2.gz FNKYKNDHCLYGKG-QFIPXVFZSA-N 0 0 432.499 4.473 40 0 IIABRN Cc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)C(F)(F)F)cc1C ZINC000408957989 556900400 /nfs/dbraw/zinc/90/04/00/556900400.db2.gz WUPJDGSYHUCBIS-IBGZPJMESA-N 0 0 442.384 4.205 40 0 IIABRN Cc1ncsc1C(=O)N1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000019757969 556901907 /nfs/dbraw/zinc/90/19/07/556901907.db2.gz UGJYCULVZJIAOX-CQSZACIVSA-N 0 0 441.944 4.085 40 0 IIABRN CN(C)C(=O)c1cc([C@@H]2CN(Cc3cccc4cccnc43)CCO2)nc2ccccc21 ZINC000019759456 556903127 /nfs/dbraw/zinc/90/31/27/556903127.db2.gz TUYWZSFREOLJAI-DEOSSOPVSA-N 0 0 426.520 4.058 40 0 IIABRN O=C(c1cccnc1)N1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327333 556904325 /nfs/dbraw/zinc/90/43/25/556904325.db2.gz IIPSGGDRTPANIL-XMMPIXPASA-N 0 0 434.927 4.242 40 0 IIABRN O=C(Nc1nccs1)c1cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)nc2ccccc21 ZINC000019761999 556905953 /nfs/dbraw/zinc/90/59/53/556905953.db2.gz HACNHGRERUGFPV-NRFANRHFSA-N 0 0 444.516 4.157 40 0 IIABRN CCOc1ccc(NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000408980670 556907731 /nfs/dbraw/zinc/90/77/31/556907731.db2.gz SCCZQGUVOVCQJD-QHCPKHFHSA-N 0 0 438.549 4.442 40 0 IIABRN C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[C@@H]1n1nc(-c2cccs2)ccc1=O ZINC000072335393 556908254 /nfs/dbraw/zinc/90/82/54/556908254.db2.gz USZBYRKIUXDQLS-IERDGZPVSA-N 0 0 432.549 4.105 40 0 IIABRN Cc1nc(C2CCN(C(=O)CCc3ccccc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764227 556908745 /nfs/dbraw/zinc/90/87/45/556908745.db2.gz BTYNGIRKKSRQBR-UHFFFAOYSA-N 0 0 428.536 4.376 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(F)cc2C)c2ccccc2)cc1 ZINC000408979270 556908746 /nfs/dbraw/zinc/90/87/46/556908746.db2.gz LXYBBLUHAUBQLN-QFIPXVFZSA-N 0 0 426.513 4.491 40 0 IIABRN Cc1nc([C@@H]2CCCCN2Cc2cccnc2N(C)C)ncc1C(=O)Nc1ccccc1F ZINC000019764692 556909281 /nfs/dbraw/zinc/90/92/81/556909281.db2.gz SCSNEBARMVUEDL-QFIPXVFZSA-N 0 0 448.546 4.365 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2cccnc2N(C)C)ncc1C(=O)Nc1ccccc1F ZINC000019764690 556909293 /nfs/dbraw/zinc/90/92/93/556909293.db2.gz SCSNEBARMVUEDL-JOCHJYFZSA-N 0 0 448.546 4.365 40 0 IIABRN Cc1cc2nc(C3CCN(C(=O)[C@@H]4OCCc5ccccc54)CC3)cc(C(F)(F)F)n2n1 ZINC000072340848 556912831 /nfs/dbraw/zinc/91/28/31/556912831.db2.gz AXHLNKDFWUYSFD-OAQYLSRUSA-N 0 0 444.457 4.077 40 0 IIABRN CC(C)c1ncc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 ZINC000072341930 556914427 /nfs/dbraw/zinc/91/44/27/556914427.db2.gz NDJVEHUUENOSKK-QUCCMNQESA-N 0 0 432.490 4.355 40 0 IIABRN CCOc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000409005799 556915838 /nfs/dbraw/zinc/91/58/38/556915838.db2.gz WDKBFODLMCLAEY-UHFFFAOYSA-N 0 0 430.570 4.356 40 0 IIABRN COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(-c2nn(C)cc2-c2ccncc2)cc1 ZINC000072344961 556916347 /nfs/dbraw/zinc/91/63/47/556916347.db2.gz LVAVRIPAACAHQL-SFHVURJKSA-N 0 0 442.519 4.241 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)nc1C ZINC000072345521 556917014 /nfs/dbraw/zinc/91/70/14/556917014.db2.gz BGQFZSSWCRBQND-QFIPXVFZSA-N 0 0 433.556 4.045 40 0 IIABRN Cc1n[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 ZINC000072345443 556917020 /nfs/dbraw/zinc/91/70/20/556917020.db2.gz FAMLLIDVZKTTOX-JOCHJYFZSA-N 0 0 446.555 4.064 40 0 IIABRN C[C@@H]1CCCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)C1 ZINC000072348016 556919265 /nfs/dbraw/zinc/91/92/65/556919265.db2.gz WNBBDVRSZJBVQR-TZIWHRDSSA-N 0 0 442.567 4.190 40 0 IIABRN CCc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000019817654 556920518 /nfs/dbraw/zinc/92/05/18/556920518.db2.gz JZMUVYBOKYFREP-QFIPXVFZSA-N 0 0 425.492 4.110 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccccc1OC ZINC000019818205 556920751 /nfs/dbraw/zinc/92/07/51/556920751.db2.gz WBAVQVGFTBDMPA-VXKWHMMOSA-N 0 0 435.524 4.206 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000019818605 556921290 /nfs/dbraw/zinc/92/12/90/556921290.db2.gz JVJZQKFFXBYPMJ-PKTZIBPZSA-N 0 0 443.478 4.491 40 0 IIABRN Cc1nc(NC(=O)CN2CCC(Cc3cc(NC4CCCC4)nc(C)n3)CC2)sc1C ZINC000072352111 556923005 /nfs/dbraw/zinc/92/30/05/556923005.db2.gz TUHVMUMDLODHGQ-UHFFFAOYSA-N 0 0 442.633 4.106 40 0 IIABRN Cc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409028266 556924548 /nfs/dbraw/zinc/92/45/48/556924548.db2.gz KOTIHHLRDXWARP-UHFFFAOYSA-N 0 0 428.941 4.160 40 0 IIABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccccc2)c1 ZINC000409028409 556924738 /nfs/dbraw/zinc/92/47/38/556924738.db2.gz NNOZWHSCPFIYBV-UHFFFAOYSA-N 0 0 430.476 4.416 40 0 IIABRN Cc1cccc(Nc2ccc([C@H]3CCCN3C(=O)COc3ccc4c(c3)OCCO4)nc2)n1 ZINC000072353105 556925353 /nfs/dbraw/zinc/92/53/53/556925353.db2.gz AHBGRWRTHMKPRW-OAQYLSRUSA-N 0 0 446.507 4.042 40 0 IIABRN O=C(CCn1ncc2c1CCCC2)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353153 556925663 /nfs/dbraw/zinc/92/56/63/556925663.db2.gz OEEPKMLJQGVEME-JOCHJYFZSA-N 0 0 434.519 4.188 40 0 IIABRN Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353147 556925713 /nfs/dbraw/zinc/92/57/13/556925713.db2.gz CHNUQNRGUVLXOM-SFHVURJKSA-N 0 0 444.461 4.498 40 0 IIABRN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)N(C)C2=S)cc1 ZINC000409031112 556927221 /nfs/dbraw/zinc/92/72/21/556927221.db2.gz GPBXHOOFHMWOCJ-WJDWOHSUSA-N 0 0 433.327 4.158 40 0 IIABRN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000072353901 556928286 /nfs/dbraw/zinc/92/82/86/556928286.db2.gz QXVLPVDHNGTKNE-HXUWFJFHSA-N 0 0 436.021 4.400 40 0 IIABRN COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(CC(=O)Nc3cc(C)on3)C2)c1 ZINC000072353916 556928331 /nfs/dbraw/zinc/92/83/31/556928331.db2.gz WBBQUTODNOKKIS-OAQYLSRUSA-N 0 0 434.540 4.104 40 0 IIABRN Cc1nc(C)n(CCC(=O)N2CCC[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)n1 ZINC000072354067 556928817 /nfs/dbraw/zinc/92/88/17/556928817.db2.gz JKYUWBLDRAQXPM-DEOSSOPVSA-N 0 0 431.584 4.294 40 0 IIABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3cnc(N)nc3C)C2)n1 ZINC000072354052 556928889 /nfs/dbraw/zinc/92/88/89/556928889.db2.gz GGFJGZDNQQMAHN-LJQANCHMSA-N 0 0 435.959 4.335 40 0 IIABRN Cc1nc(C)n(CC(=O)N2CCC[C@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)n1 ZINC000072354153 556929370 /nfs/dbraw/zinc/92/93/70/556929370.db2.gz ANWPVIIVTHYYJX-NRFANRHFSA-N 0 0 437.975 4.249 40 0 IIABRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000409052486 556930756 /nfs/dbraw/zinc/93/07/56/556930756.db2.gz IAKUOHSVYLPHOA-UHFFFAOYSA-N 0 0 433.596 4.185 40 0 IIABRN O=C(c1ccc2[nH]c(CO)nc2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356471 556931251 /nfs/dbraw/zinc/93/12/51/556931251.db2.gz WEOHDLMOGHNKMA-GOSISDBHSA-N 0 0 430.483 4.276 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000019867908 556934808 /nfs/dbraw/zinc/93/48/08/556934808.db2.gz LAVYHBDLEXMBKY-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)CCCn1ccnc1C ZINC000072370433 556934812 /nfs/dbraw/zinc/93/48/12/556934812.db2.gz GZTKDKOXDVGJMO-GOSISDBHSA-N 0 0 438.597 4.170 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019867996 556935028 /nfs/dbraw/zinc/93/50/28/556935028.db2.gz OUAKHBMWABWALA-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC000072370613 556935663 /nfs/dbraw/zinc/93/56/63/556935663.db2.gz UMJRTGFFORQBEZ-INIZCTEOSA-N 0 0 436.533 4.009 40 0 IIABRN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCn1nccc1C ZINC000072370767 556936427 /nfs/dbraw/zinc/93/64/27/556936427.db2.gz HWRZKSWAVLWDKB-IBGZPJMESA-N 0 0 438.597 4.170 40 0 IIABRN CCc1cc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)on1 ZINC000072371664 556940002 /nfs/dbraw/zinc/94/00/02/556940002.db2.gz JJIOQSMEBUTMFJ-CQSZACIVSA-N 0 0 448.445 4.230 40 0 IIABRN CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)nnc1-c1ccc(Br)cc1 ZINC000019927694 556945357 /nfs/dbraw/zinc/94/53/57/556945357.db2.gz RFJNBLPJCPTWGS-BJJXKVORSA-N 0 0 435.391 4.124 40 0 IIABRN CC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000019927893 556945773 /nfs/dbraw/zinc/94/57/73/556945773.db2.gz HRBUWJQRHNPRLN-UHFFFAOYSA-N 0 0 431.315 4.168 40 0 IIABRN COc1ccc(CC[C@H](C)Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)cc1 ZINC000072373238 556945890 /nfs/dbraw/zinc/94/58/90/556945890.db2.gz UTPKWWRJWMWSSP-KRWDZBQOSA-N 0 0 443.551 4.293 40 0 IIABRN Cc1nc(Cn2ncc3ccccc3c2=O)cc(N[C@H](C)COc2ccc(Cl)cc2)n1 ZINC000072373304 556946353 /nfs/dbraw/zinc/94/63/53/556946353.db2.gz DWSYDYZXQZDXPI-OAHLLOKOSA-N 0 0 435.915 4.076 40 0 IIABRN COc1ccccc1CN1CCCc2c(C)nc([C@H]3CCCN3C(=O)c3ccccn3)nc21 ZINC000072373827 556947106 /nfs/dbraw/zinc/94/71/06/556947106.db2.gz RYBWNSHTZRMUAV-JOCHJYFZSA-N 0 0 443.551 4.119 40 0 IIABRN Cc1nc(C2CCN(C(=O)c3ccccn3)CC2)nc2c1CCCN2Cc1ccccc1 ZINC000072373860 556947123 /nfs/dbraw/zinc/94/71/23/556947123.db2.gz AUKNGEYBMCBQTA-UHFFFAOYSA-N 0 0 427.552 4.153 40 0 IIABRN COc1ccccc1-c1nnc(CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)o1 ZINC000019929210 556947433 /nfs/dbraw/zinc/94/74/33/556947433.db2.gz CVHYFDBPVJMCFV-UHFFFAOYSA-N 0 0 429.889 4.485 40 0 IIABRN CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929497 556947627 /nfs/dbraw/zinc/94/76/27/556947627.db2.gz MWDRKVNQKCRNGN-UHFFFAOYSA-N 0 0 438.488 4.405 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000019930861 556948480 /nfs/dbraw/zinc/94/84/80/556948480.db2.gz FIMPHQYGWSIPFV-RPBOFIJWSA-N 0 0 448.588 4.078 40 0 IIABRN O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000019933023 556949561 /nfs/dbraw/zinc/94/95/61/556949561.db2.gz SJBRCMLPXXNHQL-UHFFFAOYSA-N 0 0 430.526 4.498 40 0 IIABRN CC(C)(C)SCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019933917 556950171 /nfs/dbraw/zinc/95/01/71/556950171.db2.gz UCIXTCLRDYMTLU-UHFFFAOYSA-N 0 0 426.991 4.402 40 0 IIABRN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3S(=O)(=O)c3ccc(F)c(C)c3)n2)n1 ZINC000072375705 556952569 /nfs/dbraw/zinc/95/25/69/556952569.db2.gz ZTULZKWLGAMXBZ-HXUWFJFHSA-N 0 0 441.532 4.205 40 0 IIABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409103951 556952588 /nfs/dbraw/zinc/95/25/88/556952588.db2.gz HXKDKOHIPHWIKG-HXJASHHUSA-N 0 0 438.480 4.427 40 0 IIABRN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)c(C)c3)n2)n1 ZINC000072375706 556952600 /nfs/dbraw/zinc/95/26/00/556952600.db2.gz ZTULZKWLGAMXBZ-FQEVSTJZSA-N 0 0 441.532 4.205 40 0 IIABRN Cc1nnc(Nc2cccc(C3CCN(S(=O)(=O)c4ccc(C)c(F)c4)CC3)n2)s1 ZINC000072376158 556954159 /nfs/dbraw/zinc/95/41/59/556954159.db2.gz VEOBDERRFPPGHW-UHFFFAOYSA-N 0 0 447.561 4.001 40 0 IIABRN CCn1ccc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)n1 ZINC000072376668 556955440 /nfs/dbraw/zinc/95/54/40/556955440.db2.gz VDLUYEXAADXJTL-QGZVFWFLSA-N 0 0 438.963 4.099 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2ccccn2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072378128 556956661 /nfs/dbraw/zinc/95/66/61/556956661.db2.gz MFFWDQIYBCPVTG-XMMPIXPASA-N 0 0 441.579 4.429 40 0 IIABRN O=C(c1cccnc1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072380145 556957806 /nfs/dbraw/zinc/95/78/06/556957806.db2.gz PEBSKRABFWJTRW-INIZCTEOSA-N 0 0 430.430 4.075 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1 ZINC000409106412 556958820 /nfs/dbraw/zinc/95/88/20/556958820.db2.gz NCOKWSNVSLQFLJ-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007823 556958879 /nfs/dbraw/zinc/95/88/79/556958879.db2.gz CTVSBMYKFHHBCR-FQEVSTJZSA-N 0 0 432.904 4.007 40 0 IIABRN CCOc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccccc3)C2)cc1 ZINC000072390199 556960209 /nfs/dbraw/zinc/96/02/09/556960209.db2.gz PDXQMMVDKPXDSO-DEOSSOPVSA-N 0 0 442.559 4.112 40 0 IIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC000072390271 556960744 /nfs/dbraw/zinc/96/07/44/556960744.db2.gz CXBFHAXBEYZYHL-ZIAGYGMSSA-N 0 0 435.450 4.358 40 0 IIABRN 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447.461 4.246 40 0 IIABRN CCOc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020108269 556984035 /nfs/dbraw/zinc/98/40/35/556984035.db2.gz WWXZIDSYZJGKOK-UHFFFAOYSA-N 0 0 444.940 4.470 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020108436 556984071 /nfs/dbraw/zinc/98/40/71/556984071.db2.gz OTCVLSGCNFRYBR-NRFANRHFSA-N 0 0 432.586 4.126 40 0 IIABRN Cc1ccc([C@H](NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020108445 556984234 /nfs/dbraw/zinc/98/42/34/556984234.db2.gz RUPXAOCNKWHSNT-RUZDIDTESA-N 0 0 436.577 4.284 40 0 IIABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ncccc3C)n2CC)cc1 ZINC000409173561 556984458 /nfs/dbraw/zinc/98/44/58/556984458.db2.gz JVUBLMLNRXPZFW-MRXNPFEDSA-N 0 0 425.558 4.435 40 0 IIABRN O=C(COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccccc1 ZINC000409173659 556984547 /nfs/dbraw/zinc/98/45/47/556984547.db2.gz NTXQKHIGKBYVLI-KGENOOAVSA-N 0 0 447.878 4.455 40 0 IIABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1 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4.299 40 0 IIABRN CCOc1cc(CNc2nn[nH]n2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022112224 557179847 /nfs/dbraw/zinc/17/98/47/557179847.db2.gz QMBPNHZOJWHGCR-UHFFFAOYSA-N 0 0 438.713 4.205 40 0 IIABRN O=C(Nc1ccccc1F)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 ZINC000096155952 557180443 /nfs/dbraw/zinc/18/04/43/557180443.db2.gz JETWDHHMVQKXPK-UHFFFAOYSA-N 0 0 429.499 4.048 40 0 IIABRN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096225395 557184210 /nfs/dbraw/zinc/18/42/10/557184210.db2.gz HWQCVMBEMQEKAP-NRFANRHFSA-N 0 0 430.867 4.261 40 0 IIABRN CCc1ccc(NC(=O)N2C[C@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)cc1 ZINC000096241105 557185618 /nfs/dbraw/zinc/18/56/18/557185618.db2.gz JUWURIBMHIWHRB-OAQYLSRUSA-N 0 0 425.504 4.287 40 0 IIABRN COc1cccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)c1 ZINC000096243081 557186926 /nfs/dbraw/zinc/18/69/26/557186926.db2.gz CSCBOFJKBBMJSP-HXUWFJFHSA-N 0 0 436.552 4.151 40 0 IIABRN Cc1ccc(C(=O)Cn2c3ccc(Br)cc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000009938712 557194447 /nfs/dbraw/zinc/19/44/47/557194447.db2.gz GDXAXUANSNLADD-UHFFFAOYSA-N 0 0 449.304 4.106 40 0 IIABRN CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)N1CCC(Cc2cccc3ncccc23)CC1 ZINC000585261828 557196961 /nfs/dbraw/zinc/19/69/61/557196961.db2.gz RHRCHINECLWWLT-SANMLTNESA-N 0 0 433.527 4.061 40 0 IIABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1 ZINC000010010496 557200800 /nfs/dbraw/zinc/20/08/00/557200800.db2.gz UCTZQCPOPYRRNR-INIZCTEOSA-N 0 0 429.948 4.438 40 0 IIABRN CC(=O)NC1(C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)CCCCC1 ZINC000585263415 557203718 /nfs/dbraw/zinc/20/37/18/557203718.db2.gz IAHCYSWPVCTFIB-UHFFFAOYSA-N 0 0 441.601 4.135 40 0 IIABRN CCCc1ncc(C(=O)N2CCC(Cc3cccc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585263501 557203776 /nfs/dbraw/zinc/20/37/76/557203776.db2.gz OKMWQOCTCIPHCK-UHFFFAOYSA-N 0 0 436.585 4.428 40 0 IIABRN CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010112270 557204688 /nfs/dbraw/zinc/20/46/88/557204688.db2.gz OKDSFDPWNAJOKE-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN CCOc1ccccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010313893 557215338 /nfs/dbraw/zinc/21/53/38/557215338.db2.gz DROOBFPSPSEAKJ-UHFFFAOYSA-N 0 0 442.512 4.443 40 0 IIABRN COC(=O)c1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1C ZINC000010315263 557216490 /nfs/dbraw/zinc/21/64/90/557216490.db2.gz BQANZAXGUVAYAC-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2cccc(Cl)c2)cc1 ZINC000010449093 557219903 /nfs/dbraw/zinc/21/99/03/557219903.db2.gz MBZRFLXXKWUXMT-UHFFFAOYSA-N 0 0 440.952 4.433 40 0 IIABRN O=C(COc1cccc2ccccc21)NCc1nc(-c2cccc(Br)c2)no1 ZINC000218916416 557220941 /nfs/dbraw/zinc/22/09/41/557220941.db2.gz PZBLFYPIXIWBAE-UHFFFAOYSA-N 0 0 438.281 4.348 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccc(F)cc2)cc1 ZINC000010449749 557221533 /nfs/dbraw/zinc/22/15/33/557221533.db2.gz LOGKVOZKTYTTBA-GOSISDBHSA-N 0 0 438.524 4.307 40 0 IIABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1Cl ZINC000408549942 557228070 /nfs/dbraw/zinc/22/80/70/557228070.db2.gz BXMNIOVCFHFMOW-NTEUORMPSA-N 0 0 429.325 4.051 40 0 IIABRN CCN1c2ccccc2C(c2ccccc2)=C(C(=O)N(C)Cc2ccccc2)S1(=O)=O ZINC000219184293 557230352 /nfs/dbraw/zinc/23/03/52/557230352.db2.gz KWYWSGMQOCQKEY-UHFFFAOYSA-N 0 0 432.545 4.274 40 0 IIABRN O=C(c1cccc(N2CCCC2=O)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000219210072 557231480 /nfs/dbraw/zinc/23/14/80/557231480.db2.gz HMIFIKKXCBDKEW-UHFFFAOYSA-N 0 0 439.559 4.361 40 0 IIABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C)c(C)c1 ZINC000219250728 557232911 /nfs/dbraw/zinc/23/29/11/557232911.db2.gz YEDIQXTTWGDOCB-QHCPKHFHSA-N 0 0 428.598 4.113 40 0 IIABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 ZINC000219253606 557233642 /nfs/dbraw/zinc/23/36/42/557233642.db2.gz KLXFUZHJXDBYNU-DEOSSOPVSA-N 0 0 442.625 4.421 40 0 IIABRN CC(C)c1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000219258013 557233790 /nfs/dbraw/zinc/23/37/90/557233790.db2.gz RCWPDMFSLZFRAO-UHFFFAOYSA-N 0 0 434.627 4.021 40 0 IIABRN C[C@@]1(O)CCN(Cc2ccncc2Cl)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000604383340 557237697 /nfs/dbraw/zinc/23/76/97/557237697.db2.gz XGQFZNJHLSEAJH-QNWVGRARSA-N 0 0 441.984 4.293 40 0 biogenic,in-vitro IIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000219322869 557237780 /nfs/dbraw/zinc/23/77/80/557237780.db2.gz YDFGTNUJHKAOOA-QGZVFWFLSA-N 0 0 445.903 4.223 40 0 IIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000219352924 557238647 /nfs/dbraw/zinc/23/86/47/557238647.db2.gz LYGYSKVKCSFWOE-OAQYLSRUSA-N 0 0 447.491 4.381 40 0 IIABRN CCc1nnc2sc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3)nn12 ZINC000057316952 557240303 /nfs/dbraw/zinc/24/03/03/557240303.db2.gz IJVQKNQOTDNETB-UHFFFAOYSA-N 0 0 427.917 4.395 40 0 IIABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(C)c4)cc3)CC2)cc1 ZINC000057317184 557240803 /nfs/dbraw/zinc/24/08/03/557240803.db2.gz PJNIGSJJJBTKOC-UHFFFAOYSA-N 0 0 429.520 4.218 40 0 IIABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000057317107 557240836 /nfs/dbraw/zinc/24/08/36/557240836.db2.gz CPSRFEXDQKBMLV-UHFFFAOYSA-N 0 0 444.373 4.396 40 0 IIABRN O=C(COc1ccc(Cl)cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317264 557241070 /nfs/dbraw/zinc/24/10/70/557241070.db2.gz HTEYMIHNBFXWTN-UHFFFAOYSA-N 0 0 437.220 4.277 40 0 IIABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000219423487 557244370 /nfs/dbraw/zinc/24/43/70/557244370.db2.gz GHVRBSMLGQJIMO-UHFFFAOYSA-N 0 0 442.922 4.400 40 0 IIABRN Cc1ncsc1-c1nnc([C@H]2CC[C@H](CNC(=O)COc3ccccc3F)CC2)o1 ZINC000100156457 557245017 /nfs/dbraw/zinc/24/50/17/557245017.db2.gz QDXJAMCYNKZTGA-GASCZTMLSA-N 0 0 430.505 4.110 40 0 IIABRN Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)cc1 ZINC000100159016 557245152 /nfs/dbraw/zinc/24/51/52/557245152.db2.gz CMVCMSBLSCXVAR-CALCHBBNSA-N 0 0 431.462 4.084 40 0 IIABRN CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)c2ccccn2)CC1 ZINC000100205690 557247517 /nfs/dbraw/zinc/24/75/17/557247517.db2.gz LFVIMXWYUYPMGO-KDURUIRLSA-N 0 0 437.588 4.181 40 0 IIABRN CC(C)[NH+]1CCC(c2cc(=O)n3[n-]c([C@H]4CCCN4C(=O)[C@H]4CC=CCC4)cc3n2)CC1 ZINC000100213130 557248118 /nfs/dbraw/zinc/24/81/18/557248118.db2.gz FCLNDSLOWKECSU-SIKLNZKXSA-N 0 0 437.588 4.043 40 0 IIABRN Cc1cccc2cc(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)c3nnnn3c12 ZINC000057679018 557254158 /nfs/dbraw/zinc/25/41/58/557254158.db2.gz LCWXCNKXPUOIIU-UHFFFAOYSA-N 0 0 445.575 4.022 40 0 IIABRN Cc1cccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 ZINC000219622951 557260313 /nfs/dbraw/zinc/26/03/13/557260313.db2.gz VXMOGHVWEREVNL-NRFANRHFSA-N 0 0 444.597 4.268 40 0 IIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000219677769 557262286 /nfs/dbraw/zinc/26/22/86/557262286.db2.gz FGNWLILZKMZOKP-CQSZACIVSA-N 0 0 443.297 4.378 40 0 IIABRN CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000219759854 557267172 /nfs/dbraw/zinc/26/71/72/557267172.db2.gz WENPLCMRSBULFZ-RTWAWAEBSA-N 0 0 434.989 4.377 40 0 IIABRN CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCn2ccnc2C)CC1 ZINC000100658086 557268452 /nfs/dbraw/zinc/26/84/52/557268452.db2.gz GOQOOLMUGPAJEN-KDURUIRLSA-N 0 0 438.597 4.246 40 0 IIABRN CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)nc2ccccc21 ZINC000100659638 557268784 /nfs/dbraw/zinc/26/87/84/557268784.db2.gz CDKXGEYKLWMBGA-KDURUIRLSA-N 0 0 430.552 4.472 40 0 IIABRN COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000100688409 557269854 /nfs/dbraw/zinc/26/98/54/557269854.db2.gz SWLHWIBRRKWLAG-CALCHBBNSA-N 0 0 443.613 4.253 40 0 IIABRN CCOc1ccc(-n2c(O)c3c(c2O)[C@H](c2ccccc2)c2sc(=O)[nH]c2S3)cc1 ZINC000100706409 557270498 /nfs/dbraw/zinc/27/04/98/557270498.db2.gz HOWMAEFMTWUHGU-BQFCYCMXSA-N 0 0 438.530 4.043 40 0 IIABRN Cn1cnc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(Br)cc3)n2)c1 ZINC000585295262 557271730 /nfs/dbraw/zinc/27/17/30/557271730.db2.gz SCFIXCLQTDOQTI-KRWDZBQOSA-N 0 0 446.374 4.229 40 0 IIABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1OC ZINC000013025430 557274627 /nfs/dbraw/zinc/27/46/27/557274627.db2.gz BDAGKJOHNNEPOQ-QHCPKHFHSA-N 0 0 449.507 4.139 40 0 IIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3sc(C)nc3C)CC2)on1 ZINC000100743774 557274613 /nfs/dbraw/zinc/27/46/13/557274613.db2.gz XHAIKOOKSJEEBE-HDICACEKSA-N 0 0 439.585 4.454 40 0 IIABRN Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)on1 ZINC000100744061 557275042 /nfs/dbraw/zinc/27/50/42/557275042.db2.gz FBHWGGWHCONWCQ-OKZBNKHCSA-N 0 0 434.540 4.411 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)on1 ZINC000100743928 557275108 /nfs/dbraw/zinc/27/51/08/557275108.db2.gz FTDVSOAREFWMAG-HDICACEKSA-N 0 0 425.577 4.476 40 0 IIABRN COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3cc(C)no3)CC2)cc1C ZINC000100744115 557275266 /nfs/dbraw/zinc/27/52/66/557275266.db2.gz GPQUZQFXZXTYIH-PUZFROQSSA-N 0 0 436.556 4.333 40 0 IIABRN COc1ccccc1O[C@@H](C)C(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 ZINC000100744833 557275500 /nfs/dbraw/zinc/27/55/00/557275500.db2.gz CRHUMHWKEYVKPD-IRFCIJBXSA-N 0 0 448.567 4.348 40 0 IIABRN CC1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2ccccc2O1 ZINC000220007115 557276804 /nfs/dbraw/zinc/27/68/04/557276804.db2.gz OHDGCQFGNXZXTA-OAQYLSRUSA-N 0 0 442.581 4.284 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220051866 557278840 /nfs/dbraw/zinc/27/88/40/557278840.db2.gz RPMLEWFTPPTJCI-IBGZPJMESA-N 0 0 442.503 4.356 40 0 IIABRN CCOC(=O)c1ccc(Nc2nc(CC)nc3c2nnn3Cc2ccccc2Cl)cc1 ZINC000013086627 557280959 /nfs/dbraw/zinc/28/09/59/557280959.db2.gz TVOGLMVINFYOJN-UHFFFAOYSA-N 0 0 436.903 4.406 40 0 IIABRN O=C(Nc1c(Br)cc(Br)cc1Br)C1=CN=S=N1 ZINC000101055455 557281842 /nfs/dbraw/zinc/28/18/42/557281842.db2.gz ZSNSROJJDJFJRU-UHFFFAOYSA-N 0 0 441.930 4.217 40 0 IIABRN Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000220127330 557281910 /nfs/dbraw/zinc/28/19/10/557281910.db2.gz LDLOCLSCSYUCSV-LBPRGKRZSA-N 0 0 434.867 4.460 40 0 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557376631 /nfs/dbraw/zinc/37/66/31/557376631.db2.gz DZJBYIZCUHSOEA-HSZRJFAPSA-N 0 0 439.519 4.425 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222718452 557378721 /nfs/dbraw/zinc/37/87/21/557378721.db2.gz BBFSIHYERKFZBO-ZDUSSCGKSA-N 0 0 443.758 4.497 40 0 IIABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000072346102 557378749 /nfs/dbraw/zinc/37/87/49/557378749.db2.gz HDNXNCXEYYSXBA-KRWDZBQOSA-N 0 0 429.499 4.295 40 0 IIABRN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1 ZINC000072346107 557378803 /nfs/dbraw/zinc/37/88/03/557378803.db2.gz NJNRWRBDNWZUFA-SFHVURJKSA-N 0 0 441.535 4.164 40 0 IIABRN CN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113936311 557379471 /nfs/dbraw/zinc/37/94/71/557379471.db2.gz BQUBXQJIMFPHAF-UHFFFAOYSA-N 0 0 432.904 4.234 40 0 IIABRN C[C@H](C(=O)NCc1ccccc1Cl)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000113940603 557379973 /nfs/dbraw/zinc/37/99/73/557379973.db2.gz CYBXQRWJFCMXGR-LLVKDONJSA-N 0 0 435.760 4.118 40 0 IIABRN Cc1cccc(CN(C(=O)CCc2ccc3c(c2)OCCO3)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222743807 557381868 /nfs/dbraw/zinc/38/18/68/557381868.db2.gz BJHIIMMJPOGHNQ-IBGZPJMESA-N 0 0 438.568 4.031 40 0 IIABRN CS(=O)(=O)Nc1cccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000010372191 557382299 /nfs/dbraw/zinc/38/22/99/557382299.db2.gz UOOQQLZFIGOIEJ-UHFFFAOYSA-N 0 0 433.382 4.028 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1)c1ccccc1F ZINC000113963558 557382668 /nfs/dbraw/zinc/38/26/68/557382668.db2.gz LCEDYRSQWPSCPA-UHFFFAOYSA-N 0 0 434.439 4.322 40 0 IIABRN CC(C)(C)SCCNC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000113963212 557382708 /nfs/dbraw/zinc/38/27/08/557382708.db2.gz KBMNJYULYJQTOL-UHFFFAOYSA-N 0 0 438.590 4.053 40 0 IIABRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000113965646 557383829 /nfs/dbraw/zinc/38/38/29/557383829.db2.gz MMVXPYOHGDSPCC-HNNXBMFYSA-N 0 0 426.941 4.211 40 0 IIABRN COc1ccccc1[C@@H]1CC(=O)c2c[nH]c3nn(-c4nc5ccccc5s4)c(=O)c-3c2C1 ZINC000013639615 557384909 /nfs/dbraw/zinc/38/49/09/557384909.db2.gz IXXRUYWZYZPEJF-ZDUSSCGKSA-N 0 0 442.500 4.245 40 0 IIABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222771513 557385060 /nfs/dbraw/zinc/38/50/60/557385060.db2.gz RXSJBZVEPVJLQY-LJQANCHMSA-N 0 0 430.976 4.231 40 0 IIABRN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)c1 ZINC000072358659 557387756 /nfs/dbraw/zinc/38/77/56/557387756.db2.gz COMXGNBBBWJINL-JOCHJYFZSA-N 0 0 428.536 4.441 40 0 IIABRN CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000222808684 557388991 /nfs/dbraw/zinc/38/89/91/557388991.db2.gz QLSJLIBGUHDXSS-QHCPKHFHSA-N 0 0 440.565 4.100 40 0 IIABRN CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222809830 557389236 /nfs/dbraw/zinc/38/92/36/557389236.db2.gz WGTXKODDOBCKRL-NRFANRHFSA-N 0 0 448.947 4.493 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)c(C)c2)cc1C ZINC000222812043 557389492 /nfs/dbraw/zinc/38/94/92/557389492.db2.gz BAVMUPOVPZJYCZ-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3Cl)n2C)cc1 ZINC000013870604 557391521 /nfs/dbraw/zinc/39/15/21/557391521.db2.gz BZKKNYDEJNOSHY-CYBMUJFWSA-N 0 0 432.933 4.348 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000222833190 557391565 /nfs/dbraw/zinc/39/15/65/557391565.db2.gz HVYNGBYSBHOGFI-XMMPIXPASA-N 0 0 440.584 4.495 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000222837059 557391951 /nfs/dbraw/zinc/39/19/51/557391951.db2.gz STHRKPCZCRBDJM-QFIPXVFZSA-N 0 0 426.557 4.023 40 0 IIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)[nH]c(C)c1I ZINC000222861448 557395498 /nfs/dbraw/zinc/39/54/98/557395498.db2.gz DXXJUNYDFPWTFH-HZPDHXFCSA-N 0 0 440.354 4.014 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222886213 557398197 /nfs/dbraw/zinc/39/81/97/557398197.db2.gz XKZUONBMCAHSBR-QFIPXVFZSA-N 0 0 446.975 4.368 40 0 IIABRN CC[C@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222886120 557398265 /nfs/dbraw/zinc/39/82/65/557398265.db2.gz KZWRLANKABOTHG-OAQYLSRUSA-N 0 0 448.947 4.493 40 0 IIABRN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000013980923 557399865 /nfs/dbraw/zinc/39/98/65/557399865.db2.gz BXCMTIRCFQFHMF-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 ZINC000222896169 557400166 /nfs/dbraw/zinc/40/01/66/557400166.db2.gz JCWNFXCUZHLRND-NRFANRHFSA-N 0 0 432.948 4.059 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(OC)cc1 ZINC000222950012 557407374 /nfs/dbraw/zinc/40/73/74/557407374.db2.gz DPXJLXMIRYHQNJ-LJQANCHMSA-N 0 0 428.598 4.262 40 0 IIABRN Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 ZINC000222978576 557410474 /nfs/dbraw/zinc/41/04/74/557410474.db2.gz FMKBBMXGYRFQLO-IBGZPJMESA-N 0 0 428.598 4.297 40 0 IIABRN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 ZINC000222980386 557410688 /nfs/dbraw/zinc/41/06/88/557410688.db2.gz HDVYJZKEGALCIT-SFHVURJKSA-N 0 0 436.577 4.217 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000223034607 557418627 /nfs/dbraw/zinc/41/86/27/557418627.db2.gz OIDVOMVLLVZHFU-HNNXBMFYSA-N 0 0 435.387 4.095 40 0 IIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000223034311 557418703 /nfs/dbraw/zinc/41/87/03/557418703.db2.gz UGBZOCLBLSLIKC-SFHVURJKSA-N 0 0 445.903 4.189 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000014022774 557419721 /nfs/dbraw/zinc/41/97/21/557419721.db2.gz WJTOPNYGVYRZQF-AWEZNQCLSA-N 0 0 427.353 4.341 40 0 IIABRN CCc1ccc(N(CC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000223046192 557420548 /nfs/dbraw/zinc/42/05/48/557420548.db2.gz YOHAUQHCHCMRHF-QHCPKHFHSA-N 0 0 428.598 4.161 40 0 IIABRN COc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223057835 557422913 /nfs/dbraw/zinc/42/29/13/557422913.db2.gz YOMQHXWOFGUEGN-IBGZPJMESA-N 0 0 426.557 4.023 40 0 IIABRN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)c1 ZINC000014153871 557424494 /nfs/dbraw/zinc/42/44/94/557424494.db2.gz HNYSBMFTXCMZOW-UHFFFAOYSA-N 0 0 444.896 4.430 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223073869 557426370 /nfs/dbraw/zinc/42/63/70/557426370.db2.gz LSOGDMBBPGWESD-KRWDZBQOSA-N 0 0 431.374 4.162 40 0 IIABRN Cc1ccc(CNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000014155843 557427452 /nfs/dbraw/zinc/42/74/52/557427452.db2.gz XZXIKKDWEHABFE-UHFFFAOYSA-N 0 0 435.760 4.038 40 0 IIABRN Cc1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)c1Cc1cccc2ccccc21 ZINC000014162202 557427795 /nfs/dbraw/zinc/42/77/95/557427795.db2.gz YSBSFWCHJDWVPW-UHFFFAOYSA-N 0 0 428.511 4.288 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl ZINC000223081521 557427885 /nfs/dbraw/zinc/42/78/85/557427885.db2.gz KMUYHBZNAAMVTF-AWEZNQCLSA-N 0 0 437.765 4.198 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 ZINC000223119203 557434130 /nfs/dbraw/zinc/43/41/30/557434130.db2.gz XLEZZCWCDYZKBU-SANMLTNESA-N 0 0 444.575 4.404 40 0 IIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc(Br)c1 ZINC000014291297 557434323 /nfs/dbraw/zinc/43/43/23/557434323.db2.gz QISQAIFXKNUFRC-UHFFFAOYSA-N 0 0 444.314 4.185 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223129469 557435930 /nfs/dbraw/zinc/43/59/30/557435930.db2.gz WABZPCZTUSEOLF-MSOLQXFVSA-N 0 0 444.547 4.108 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000223131035 557436423 /nfs/dbraw/zinc/43/64/23/557436423.db2.gz IWRDLXGUNUADSK-VWLOTQADSA-N 0 0 444.575 4.458 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(F)cc1 ZINC000223176051 557441706 /nfs/dbraw/zinc/44/17/06/557441706.db2.gz PNXHGPNXGZSXJM-RUZDIDTESA-N 0 0 448.538 4.289 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223192927 557444202 /nfs/dbraw/zinc/44/42/02/557444202.db2.gz OZKFNZGYPIPORN-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223210554 557446447 /nfs/dbraw/zinc/44/64/47/557446447.db2.gz GUMXQUSEQBAQHE-FDDCHVKYSA-N 0 0 428.598 4.214 40 0 IIABRN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000014507883 557446501 /nfs/dbraw/zinc/44/65/01/557446501.db2.gz SUSMXHRBHATJDX-UHFFFAOYSA-N 0 0 441.380 4.019 40 0 IIABRN COCc1nn2c(nnc3c2C[C@H](c2ccccc2O)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014607742 557447804 /nfs/dbraw/zinc/44/78/04/557447804.db2.gz SBALKVSBPWGPJD-AWEZNQCLSA-N 0 0 434.883 4.209 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 ZINC000223224642 557447961 /nfs/dbraw/zinc/44/79/61/557447961.db2.gz QBPQCYVTDDFIOS-QFIPXVFZSA-N 0 0 426.557 4.105 40 0 IIABRN C[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCC2 ZINC000223242322 557450416 /nfs/dbraw/zinc/45/04/16/557450416.db2.gz NAHMSZHGFLULDZ-SFHVURJKSA-N 0 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CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000223286124 557456018 /nfs/dbraw/zinc/45/60/18/557456018.db2.gz RGXMTJIFYDQHOX-HXUWFJFHSA-N 0 0 449.016 4.019 40 0 IIABRN COc1ccc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2C)cc1 ZINC000102862111 557458388 /nfs/dbraw/zinc/45/83/88/557458388.db2.gz DDTYIZYWMBBEOU-TZRRMPRUSA-N 0 0 428.488 4.363 40 0 IIABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223317529 557458853 /nfs/dbraw/zinc/45/88/53/557458853.db2.gz LCPYRXQNNPBABF-OYDLWJJNSA-N 0 0 447.608 4.090 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000223394756 557466312 /nfs/dbraw/zinc/46/63/12/557466312.db2.gz WTYFVAFACWSHBX-HNNXBMFYSA-N 0 0 430.551 4.073 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)c(C)c1 ZINC000015935464 557466819 /nfs/dbraw/zinc/46/68/19/557466819.db2.gz POCUOKKBRWCTLF-JOCHJYFZSA-N 0 0 449.580 4.387 40 0 IIABRN C[C@H](C(=O)Nc1ccc(Br)cc1)N1c2cccc3cccc(c23)S1(=O)=O 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4.376 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223445362 557472784 /nfs/dbraw/zinc/47/27/84/557472784.db2.gz SNTQISHPNGHBAH-OAQYLSRUSA-N 0 0 432.948 4.061 40 0 IIABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1cccnc1 ZINC000223453319 557473414 /nfs/dbraw/zinc/47/34/14/557473414.db2.gz OOXNWRRWFOFITK-RPWUZVMVSA-N 0 0 441.560 4.449 40 0 IIABRN CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223456297 557474197 /nfs/dbraw/zinc/47/41/97/557474197.db2.gz AVCVFUAFPMYTBB-HSZRJFAPSA-N 0 0 440.902 4.374 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000223459655 557474610 /nfs/dbraw/zinc/47/46/10/557474610.db2.gz HVKMMUNYMFATCE-NRFANRHFSA-N 0 0 442.625 4.339 40 0 IIABRN CCOC(=O)c1cc(NC(=O)c2c(OC)ccc3ccccc32)ccc1N1CCOCC1 ZINC000016687760 557475159 /nfs/dbraw/zinc/47/51/59/557475159.db2.gz CZBJUMVNUKJBEM-UHFFFAOYSA-N 0 0 434.492 4.114 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223469713 557475321 /nfs/dbraw/zinc/47/53/21/557475321.db2.gz VZOXYKYZZCWAMB-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000223467444 557475352 /nfs/dbraw/zinc/47/53/52/557475352.db2.gz KYGRGSWJRBYBSY-FQEVSTJZSA-N 0 0 426.557 4.024 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000223476869 557476525 /nfs/dbraw/zinc/47/65/25/557476525.db2.gz OJTSXXLZLMCAPC-FQEVSTJZSA-N 0 0 428.598 4.419 40 0 IIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000017096506 557476643 /nfs/dbraw/zinc/47/66/43/557476643.db2.gz FDLANGPZEXQANM-UHFFFAOYSA-N 0 0 429.501 4.176 40 0 IIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)CC1 ZINC000017096719 557477501 /nfs/dbraw/zinc/47/75/01/557477501.db2.gz ZFTBNKWUXYKCMJ-UHFFFAOYSA-N 0 0 429.948 4.115 40 0 IIABRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)c1 ZINC000017096716 557477509 /nfs/dbraw/zinc/47/75/09/557477509.db2.gz 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COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2SC)cc1OC ZINC000223560020 557485947 /nfs/dbraw/zinc/48/59/47/557485947.db2.gz AJQQTPFPDGRNRH-JXAWBTAJSA-N 0 0 438.505 4.428 40 0 IIABRN Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)NCc3ccco3)CC2)cc1 ZINC000017095440 557486364 /nfs/dbraw/zinc/48/63/64/557486364.db2.gz GVXLSCBBWJRARF-UHFFFAOYSA-N 0 0 427.520 4.340 40 0 IIABRN Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)c(C)cc1I ZINC000017095688 557486554 /nfs/dbraw/zinc/48/65/54/557486554.db2.gz XZNWPEFYXSSODS-UHFFFAOYSA-N 0 0 428.270 4.174 40 0 IIABRN CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223566248 557487026 /nfs/dbraw/zinc/48/70/26/557487026.db2.gz YXNLLRWXUCXJIA-XMMPIXPASA-N 0 0 436.939 4.407 40 0 IIABRN COc1ccc([C@H]2N=C(Nc3cccc(C(F)(F)F)c3)Nc3nc(C)cc(=O)n32)cc1 ZINC000017096392 557488604 /nfs/dbraw/zinc/48/86/04/557488604.db2.gz LVXRMKNJEPTOSS-SFHVURJKSA-N 0 0 429.402 4.020 40 0 IIABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(C(C)C)cc3)nn12 ZINC000017100592 557489083 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ZINC000223666454 557499447 /nfs/dbraw/zinc/49/94/47/557499447.db2.gz MFEBGHYMJPCLBJ-RTWAWAEBSA-N 0 0 439.562 4.361 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000223665308 557499501 /nfs/dbraw/zinc/49/95/01/557499501.db2.gz HNNGPNAQNUACIT-GOTSBHOMSA-N 0 0 434.565 4.025 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000019499619 557499650 /nfs/dbraw/zinc/49/96/50/557499650.db2.gz QCBNWBMHYZCSEE-QHCPKHFHSA-N 0 0 442.567 4.116 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 ZINC000223671605 557499997 /nfs/dbraw/zinc/49/99/97/557499997.db2.gz VPOVGEFZNAJBBO-QFIPXVFZSA-N 0 0 426.557 4.105 40 0 IIABRN Cc1ccc(N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)cc1Cl ZINC000223684186 557501884 /nfs/dbraw/zinc/50/18/84/557501884.db2.gz GLBJMZMPMLJZHY-UHFFFAOYSA-N 0 0 443.956 4.039 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000223686519 557502058 /nfs/dbraw/zinc/50/20/58/557502058.db2.gz NVIREWXGODWUFT-BJKOFHAPSA-N 0 0 448.592 4.084 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223706220 557504446 /nfs/dbraw/zinc/50/44/46/557504446.db2.gz OXMUJEQLHARMIY-INIZCTEOSA-N 0 0 449.938 4.007 40 0 IIABRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1cccc(Br)c1 ZINC000223733269 557507183 /nfs/dbraw/zinc/50/71/83/557507183.db2.gz KQLIRPSXJPIESK-UHFFFAOYSA-N 0 0 426.376 4.245 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000223734041 557507206 /nfs/dbraw/zinc/50/72/06/557507206.db2.gz LFSKNHSHHSQOPG-BJKOFHAPSA-N 0 0 448.592 4.415 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 ZINC000223778164 557512016 /nfs/dbraw/zinc/51/20/16/557512016.db2.gz RSNNQWVJFJLDML-AREMUKBSSA-N 0 0 444.575 4.322 40 0 IIABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1cccnc1 ZINC000020239876 557519564 /nfs/dbraw/zinc/51/95/64/557519564.db2.gz JBVTYLRACZPZAB-UHFFFAOYSA-N 0 0 436.320 4.222 40 0 IIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020330164 557519813 /nfs/dbraw/zinc/51/98/13/557519813.db2.gz LXTQTLLMKSUWMA-FQEVSTJZSA-N 0 0 436.961 4.311 40 0 IIABRN CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1Br ZINC000020412301 557520804 /nfs/dbraw/zinc/52/08/04/557520804.db2.gz GKZFUFPXABAAGM-UHFFFAOYSA-N 0 0 435.299 4.496 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223875393 557524185 /nfs/dbraw/zinc/52/41/85/557524185.db2.gz CGOKUJDRKLLJBN-ZDUSSCGKSA-N 0 0 427.303 4.065 40 0 IIABRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C ZINC000223893321 557526121 /nfs/dbraw/zinc/52/61/21/557526121.db2.gz QQPOURKBWPFHJV-ZEQRLZLVSA-N 0 0 449.624 4.389 40 0 IIABRN CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)s1 ZINC000223904841 557527197 /nfs/dbraw/zinc/52/71/97/557527197.db2.gz JAULQVOSTIUDSG-UHFFFAOYSA-N 0 0 448.595 4.238 40 0 IIABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 ZINC000223917426 557528573 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IIABRN Fc1cc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)ccc1Br ZINC000329044266 568810285 /nfs/dbraw/zinc/81/02/85/568810285.db2.gz SVVRTBFPDZKSMP-UHFFFAOYSA-N 0 0 428.309 4.382 40 0 IIABRN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc(C)cc3)[C@@H]2C1=O ZINC000101487251 568844239 /nfs/dbraw/zinc/84/42/39/568844239.db2.gz FOARPMTZBABSKS-QPXUXIHVSA-N 0 0 428.532 4.253 40 0 IIABRN COc1ccc2nc(NC(=O)c3cccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)c3)sc2c1 ZINC000101657614 568848064 /nfs/dbraw/zinc/84/80/64/568848064.db2.gz FLKPEYDWJKVMDU-IAGOWNOFSA-N 0 0 435.505 4.237 40 0 IIABRN COc1ccc(Cc2nc3c(n2C(C)=O)SC(c2ccc(C)cc2)=NN3C(C)=O)cc1 ZINC000016807071 569162288 /nfs/dbraw/zinc/16/22/88/569162288.db2.gz XETMMSLACIODGD-UHFFFAOYSA-N 0 0 434.521 4.271 40 0 IIABRN CC1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2N)CC1 ZINC000226266293 569177997 /nfs/dbraw/zinc/17/79/97/569177997.db2.gz UWAXQEGHKBLVSP-UHFFFAOYSA-N 0 0 435.309 4.362 40 0 IIABRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cn1)C(=O)OCc1ccccc1 ZINC000067794598 569181367 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438.597 4.130 40 0 IIABRN Cc1ccsc1CN(C(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000016742573 569217357 /nfs/dbraw/zinc/21/73/57/569217357.db2.gz CIRMXDIICDADJC-XJKCOSOUSA-N 0 0 436.426 4.163 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc(OC)cc4)o3)cc2)cc1 ZINC000009062220 569219473 /nfs/dbraw/zinc/21/94/73/569219473.db2.gz UKXTWULAZINGAT-UHFFFAOYSA-N 0 0 444.447 4.258 40 0 IIABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009856000 569220074 /nfs/dbraw/zinc/22/00/74/569220074.db2.gz QMHRLQHOTJZAHY-UHFFFAOYSA-N 0 0 431.316 4.172 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)cc1Cl ZINC000009974655 569220670 /nfs/dbraw/zinc/22/06/70/569220670.db2.gz JGYYLEULKIRZRW-ZDUSSCGKSA-N 0 0 443.352 4.041 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000010276288 569222068 /nfs/dbraw/zinc/22/20/68/569222068.db2.gz HHVXPYGYGNCAQI-QGZVFWFLSA-N 0 0 444.597 4.268 40 0 IIABRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1ccccc1Cl ZINC000010298152 569222244 /nfs/dbraw/zinc/22/22/44/569222244.db2.gz PMEHRIWGEFWPGC-INIZCTEOSA-N 0 0 446.685 4.491 40 0 IIABRN COc1ccc(C)cc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010332532 569223430 /nfs/dbraw/zinc/22/34/30/569223430.db2.gz PRRDNUIPIGJAEW-UHFFFAOYSA-N 0 0 442.512 4.361 40 0 IIABRN COC(=O)c1ccc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 ZINC000010369740 569224115 /nfs/dbraw/zinc/22/41/15/569224115.db2.gz RGAYBBYRUIKMLU-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1 ZINC000011215416 569224638 /nfs/dbraw/zinc/22/46/38/569224638.db2.gz CJQBPROVORDRIJ-FQEVSTJZSA-N 0 0 434.477 4.286 40 0 IIABRN Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc4C3)nnc2-c2ccncc2)cc1 ZINC000010730049 569224639 /nfs/dbraw/zinc/22/46/39/569224639.db2.gz QCEQEUSIDMQDSE-UHFFFAOYSA-N 0 0 441.560 4.315 40 0 IIABRN Cc1cc(C)n2ncc(C(=O)N3CCO[C@H](c4ccc(-c5cccc(Cl)c5)cn4)C3)c2n1 ZINC000019692459 569228026 /nfs/dbraw/zinc/22/80/26/569228026.db2.gz IUVQPDZCSVFAFF-QFIPXVFZSA-N 0 0 447.926 4.275 40 0 IIABRN Cn1cc(CN2CCO[C@@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)c2cc(F)ccc21 ZINC000019693640 569229098 /nfs/dbraw/zinc/22/90/98/569229098.db2.gz DLEDKWCZNOPWBA-RUZDIDTESA-N 0 0 444.510 4.052 40 0 IIABRN CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)CCO1 ZINC000019702663 569232224 /nfs/dbraw/zinc/23/22/24/569232224.db2.gz CDYNDNRUAHVPIR-IBGZPJMESA-N 0 0 449.576 4.068 40 0 IIABRN CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCO1 ZINC000019703130 569232682 /nfs/dbraw/zinc/23/26/82/569232682.db2.gz MFTKLPLGJHAUIL-IBGZPJMESA-N 0 0 449.532 4.394 40 0 IIABRN CC(C)Oc1ccccc1CN1CCO[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019703158 569232769 /nfs/dbraw/zinc/23/27/69/569232769.db2.gz RGHWLZULBMWNBJ-FQEVSTJZSA-N 0 0 439.581 4.359 40 0 IIABRN CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cn(C)c3ccccc23)CCO1 ZINC000019703337 569233027 /nfs/dbraw/zinc/23/30/27/569233027.db2.gz VFRTYPKHOBPVMS-OAQYLSRUSA-N 0 0 448.592 4.500 40 0 IIABRN CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cn(C)c3ccccc23)CCO1 ZINC000019703336 569233060 /nfs/dbraw/zinc/23/30/60/569233060.db2.gz VFRTYPKHOBPVMS-NRFANRHFSA-N 0 0 448.592 4.500 40 0 IIABRN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cccc3ncccc23)CCO1 ZINC000019703317 569233063 /nfs/dbraw/zinc/23/30/63/569233063.db2.gz GJCJDLYLTRWNBI-HXUWFJFHSA-N 0 0 432.549 4.120 40 0 IIABRN Cc1cc(S(=O)(=O)N2CC[C@@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)ccc1F ZINC000019704377 569233312 /nfs/dbraw/zinc/23/33/12/569233312.db2.gz WJKQCGGBVVDHNP-OAHLLOKOSA-N 0 0 449.935 4.268 40 0 IIABRN COc1ccc(OCc2sc([C@]3(O)CCCN(C(=O)C(C)(C)C)CC3)nc2C)cc1 ZINC000019705189 569233972 /nfs/dbraw/zinc/23/39/72/569233972.db2.gz BKYWOJZZJCGEDX-QHCPKHFHSA-N 0 0 432.586 4.285 40 0 IIABRN CCN(C(=O)Cn1nc(C)nc1C)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000019711984 569235028 /nfs/dbraw/zinc/23/50/28/569235028.db2.gz DAMZGXYXORKPSV-UKILVPOCSA-N 0 0 448.567 4.339 40 0 IIABRN CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2ccccc2-c2ccccc2)O[C@@H](c2ccccn2)C1 ZINC000019712437 569235367 /nfs/dbraw/zinc/23/53/67/569235367.db2.gz DNDLJDLAKPGSPB-VVZHRXSXSA-N 0 0 443.547 4.294 40 0 IIABRN COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2C(=O)c2ccc3c(c2)ncn3C2CC2)cc1 ZINC000019713914 569235752 /nfs/dbraw/zinc/23/57/52/569235752.db2.gz GOQADAXBLAFQCU-QPTUXGOLSA-N 0 0 444.535 4.004 40 0 IIABRN COc1ccc(OCCc2sc([C@@]3(O)CCCN(C(=O)C(C)(C)C)CC3)nc2C)cc1 ZINC000019738779 569236068 /nfs/dbraw/zinc/23/60/68/569236068.db2.gz WKHVZDAAXMUZKN-XMMPIXPASA-N 0 0 446.613 4.328 40 0 IIABRN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1 ZINC000019756785 569236964 /nfs/dbraw/zinc/23/69/64/569236964.db2.gz WUKLHHKHPUKTGO-FQEVSTJZSA-N 0 0 448.567 4.183 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCC[C@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 ZINC000019765294 569238830 /nfs/dbraw/zinc/23/88/30/569238830.db2.gz PWUUJJLOLFCROE-IBGZPJMESA-N 0 0 444.535 4.374 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)c2cc3ccc(F)cc3[nH]2)ncc1C(=O)N1CCCCC1 ZINC000019765557 569238886 /nfs/dbraw/zinc/23/88/86/569238886.db2.gz KJNXSCDEYBHALM-QFIPXVFZSA-N 0 0 449.530 4.399 40 0 IIABRN Cc1nc(C2CCN(C(=O)CC3CCCC3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766570 569239456 /nfs/dbraw/zinc/23/94/56/569239456.db2.gz LMPDZNNMADFZEM-UHFFFAOYSA-N 0 0 438.547 4.140 40 0 IIABRN Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000019767084 569239691 /nfs/dbraw/zinc/23/96/91/569239691.db2.gz GPEFAPSPCHZMAB-QHCPKHFHSA-N 0 0 445.567 4.189 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)c(C)c1 ZINC000022540095 569241712 /nfs/dbraw/zinc/24/17/12/569241712.db2.gz WVHHDPFYVPKXCT-QUCCMNQESA-N 0 0 432.561 4.029 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(Cl)c1 ZINC000028208270 569242836 /nfs/dbraw/zinc/24/28/36/569242836.db2.gz GAHHWTWKBQPPMY-UHFFFAOYSA-N 0 0 438.977 4.313 40 0 IIABRN Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000028831536 569243360 /nfs/dbraw/zinc/24/33/60/569243360.db2.gz QPVGWMWKAMMAMU-UHFFFAOYSA-N 0 0 439.562 4.374 40 0 IIABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nc(C)cs2)n1CC ZINC000033401778 569243904 /nfs/dbraw/zinc/24/39/04/569243904.db2.gz KNMDTFPLXDDQNT-UHFFFAOYSA-N 0 0 447.586 4.080 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)C2=O)o1 ZINC000033559970 569244576 /nfs/dbraw/zinc/24/45/76/569244576.db2.gz KDLCZDBYILMDMA-VXLYETTFSA-N 0 0 434.429 4.434 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000033580990 569244721 /nfs/dbraw/zinc/24/47/21/569244721.db2.gz OYHAIRLFKQFBAT-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN COc1cc(C(=S)N2CCOCC2)cc(Br)c1OCc1cccc(F)c1 ZINC000033647335 569245199 /nfs/dbraw/zinc/24/51/99/569245199.db2.gz GCDVESYHOJKCSY-UHFFFAOYSA-N 0 0 440.334 4.184 40 0 IIABRN Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C ZINC000033738922 569246372 /nfs/dbraw/zinc/24/63/72/569246372.db2.gz DGYTZEQFQCYYER-UHFFFAOYSA-N 0 0 430.570 4.240 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1C ZINC000033736251 569246382 /nfs/dbraw/zinc/24/63/82/569246382.db2.gz XRFPMHAGUMGJQF-UHFFFAOYSA-N 0 0 444.597 4.475 40 0 IIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000033766299 569246599 /nfs/dbraw/zinc/24/65/99/569246599.db2.gz QSOGVMQWHFACCQ-UHFFFAOYSA-N 0 0 444.553 4.035 40 0 IIABRN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000033853342 569247005 /nfs/dbraw/zinc/24/70/05/569247005.db2.gz GVJPTJHFXYYSGC-INIZCTEOSA-N 0 0 438.553 4.081 40 0 IIABRN CC[C@H](C)n1c(C)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 ZINC000034719059 569247390 /nfs/dbraw/zinc/24/73/90/569247390.db2.gz WLIGQKWOKUGKBO-YQNUULROSA-N 0 0 435.480 4.393 40 0 IIABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc32)c(Cl)c1 ZINC000034888676 569247972 /nfs/dbraw/zinc/24/79/72/569247972.db2.gz QMWDFPGXXQZGAX-UHFFFAOYSA-N 0 0 432.929 4.197 40 0 IIABRN COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C ZINC000035144458 569248380 /nfs/dbraw/zinc/24/83/80/569248380.db2.gz FVVCQQSFDHLUIP-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)c1 ZINC000108122132 569252523 /nfs/dbraw/zinc/25/25/23/569252523.db2.gz CCNHCQIRFUTXCP-UHFFFAOYSA-N 0 0 432.448 4.092 40 0 IIABRN CC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000109010246 569253428 /nfs/dbraw/zinc/25/34/28/569253428.db2.gz GREQWFCEDPFVSW-GOSISDBHSA-N 0 0 437.005 4.371 40 0 IIABRN CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000138653326 569254014 /nfs/dbraw/zinc/25/40/14/569254014.db2.gz PBBSAEJDSYGCJW-UHFFFAOYSA-N 0 0 437.279 4.097 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000138720945 569254151 /nfs/dbraw/zinc/25/41/51/569254151.db2.gz RNRFGOQFVZZMRU-UHFFFAOYSA-N 0 0 447.329 4.357 40 0 IIABRN CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc32)cc1 ZINC000138889066 569254269 /nfs/dbraw/zinc/25/42/69/569254269.db2.gz DGFCXCJTDGTREI-UHFFFAOYSA-N 0 0 447.491 4.089 40 0 IIABRN 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/nfs/dbraw/zinc/32/71/44/569327144.db2.gz DKUWPTOJMDKRAU-UHFFFAOYSA-N 0 0 428.532 4.069 40 0 IIABRN COc1ccccc1CC(=O)N1CCC[C@@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000019755498 569328597 /nfs/dbraw/zinc/32/85/97/569328597.db2.gz HDHLPLLNTWSBCF-OAQYLSRUSA-N 0 0 448.498 4.091 40 0 IIABRN CNc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)nc([C@@H]2CCCN2C)n1 ZINC000019760046 569328681 /nfs/dbraw/zinc/32/86/81/569328681.db2.gz CWQUCRSREWNMKU-QFIPXVFZSA-N 0 0 429.568 4.076 40 0 IIABRN COc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(/C=C2\N=C(c3ccccc3)OC2=O)c1 ZINC000002814823 569422976 /nfs/dbraw/zinc/42/29/76/569422976.db2.gz GEGNSAZNYIZZPC-QNGOZBTKSA-N 0 0 449.484 4.116 40 0 IIABRN Cc1c(Br)cccc1Nc1cc(-c2ccccn2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329072219 569583112 /nfs/dbraw/zinc/58/31/12/569583112.db2.gz ZWFURGUTVUPLMW-IBGZPJMESA-N 0 0 442.361 4.782 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)n1 ZINC000329021774 569583230 /nfs/dbraw/zinc/58/32/30/569583230.db2.gz OJHPRTHITFARMJ-HXUWFJFHSA-N 0 0 441.373 4.947 40 0 IIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccn2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329013614 569584097 /nfs/dbraw/zinc/58/40/97/569584097.db2.gz MRMJOKJAJSLIMZ-IBGZPJMESA-N 0 0 431.462 5.038 40 0 IIABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](C)CO)n2)cc1 ZINC000329053991 569584558 /nfs/dbraw/zinc/58/45/58/569584558.db2.gz VIVICMDHGSDNHK-AWEZNQCLSA-N 0 0 448.445 4.977 40 0 IIABRN CC1(C)C[C@H](NC(=O)c2cccc(F)c2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 ZINC000012531559 291379812 /nfs/dbraw/zinc/37/98/12/291379812.db2.gz CHNXJBRKLHGQBN-KCXKOMAXSA-N 0 0 444.591 4.294 40 0 biogenic,in-vitro IIABRN COc1cc2c(cc1OC)-c1c(OC)c(OC)c(Br)c3c1[C@H](C2)N(C)CC3 ZINC000012416784 291382656 /nfs/dbraw/zinc/38/26/56/291382656.db2.gz UBIRBSHOBFFLDX-AWEZNQCLSA-N 0 0 434.330 4.236 40 0 IIABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC3CCCCC3)cc2c1 ZINC000006162868 193887284 /nfs/dbraw/zinc/88/72/84/193887284.db2.gz FGVWCTKLMCFJKN-UHFFFAOYSA-N 0 0 436.581 4.141 40 0 IIABRN 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NKMFTDJLXSFBAR-UHFFFAOYSA-N 0 0 443.931 4.011 40 0 IIABRN CC(=O)Oc1ccc(I)cc1C=Cc1cc(=O)c2ccccc2[nH]1 ZINC000015016920 519759077 /nfs/dbraw/zinc/75/90/77/519759077.db2.gz DNCCJNHMHYETEV-SOFGYWHQSA-N 0 0 431.229 4.228 40 0 IIABRN CCCC(=O)Nc1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)c1 ZINC000035684151 519879915 /nfs/dbraw/zinc/87/99/15/519879915.db2.gz FJNGQVNIHSBNFX-UHFFFAOYSA-N 0 0 428.290 4.021 40 0 IIABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675573 520183155 /nfs/dbraw/zinc/18/31/55/520183155.db2.gz FIADPNGBWJGJPO-FGZHOGPDSA-N 0 0 435.524 4.350 40 0 IIABRN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020798702 520476984 /nfs/dbraw/zinc/47/69/84/520476984.db2.gz XNBUQLMWRPBIFK-LJQANCHMSA-N 0 0 440.927 4.473 40 0 IIABRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000020798621 520479706 /nfs/dbraw/zinc/47/97/06/520479706.db2.gz NBNYCNRRZNQGRI-LJQANCHMSA-N 0 0 426.900 4.477 40 0 IIABRN 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522764152 /nfs/dbraw/zinc/76/41/52/522764152.db2.gz RTVNQDIHAGDQCS-UHFFFAOYSA-N 0 0 428.568 4.206 40 0 IIABRN CCc1nnsc1C(=O)N1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 ZINC000012230463 522812736 /nfs/dbraw/zinc/81/27/36/522812736.db2.gz ZEHFCOOFPNECJJ-CQSZACIVSA-N 0 0 438.479 4.263 40 0 IIABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1)c1ccc(C)cc1 ZINC000044905020 522902261 /nfs/dbraw/zinc/90/22/61/522902261.db2.gz VHVJHRCZUAJYBF-JOCHJYFZSA-N 0 0 444.597 4.305 40 0 IIABRN COc1cc([C@@H]2Cc3c(cnn3-c3nc4ccccc4s3)C(=O)C2)cc(OC)c1OC ZINC000020671850 522929116 /nfs/dbraw/zinc/92/91/16/522929116.db2.gz QTCXVWOPOKJNCW-CYBMUJFWSA-N 0 0 435.505 4.421 40 0 IIABRN CCn1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)c2cc(C)ccc21 ZINC000022234758 523331942 /nfs/dbraw/zinc/33/19/42/523331942.db2.gz TXDNBZJVXPOYQA-UHFFFAOYSA-N 0 0 443.469 4.311 40 0 IIABRN COc1ccc(C(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1OC ZINC000012701169 523616883 /nfs/dbraw/zinc/61/68/83/523616883.db2.gz FXFHSPKLLSZFOO-INIZCTEOSA-N 0 0 444.959 4.447 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000022229848 523796608 /nfs/dbraw/zinc/79/66/08/523796608.db2.gz RATKYWTWNJNNDB-QGZVFWFLSA-N 0 0 443.352 4.102 40 0 IIABRN COc1ccc(CC(=O)NCc2ccc(-c3ncncc3-c3ccncc3)cc2)cc1OC ZINC000012222628 523902619 /nfs/dbraw/zinc/90/26/19/523902619.db2.gz SEMMPNYYSDKXBO-UHFFFAOYSA-N 0 0 440.503 4.082 40 0 IIABRN CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000012637338 523956724 /nfs/dbraw/zinc/95/67/24/523956724.db2.gz PPOJLXCBAZSNMX-LJQANCHMSA-N 0 0 426.542 4.305 40 0 IIABRN CCc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000022231060 523973205 /nfs/dbraw/zinc/97/32/05/523973205.db2.gz ZIVORGIPZARBAL-UHFFFAOYSA-N 0 0 438.549 4.233 40 0 IIABRN COc1ccc(CC[NH2+][C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)[O-])cc1 ZINC000012378015 523977353 /nfs/dbraw/zinc/97/73/53/523977353.db2.gz BGMBNQXETBFUGX-QHCPKHFHSA-N 0 0 434.492 4.102 40 0 IIABRN 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COc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4ccccc4F)n23)c1 ZINC000012878913 524795658 /nfs/dbraw/zinc/79/56/58/524795658.db2.gz HGPIPXGHMTVKPY-UHFFFAOYSA-N 0 0 444.513 4.345 40 0 IIABRN Cc1ccc(F)cc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231462 524858191 /nfs/dbraw/zinc/85/81/91/524858191.db2.gz PJLGUAIJHPLDPS-UHFFFAOYSA-N 0 0 442.512 4.118 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1C ZINC000035311031 524877440 /nfs/dbraw/zinc/87/74/40/524877440.db2.gz WZANUXNJDXEEDT-JOCHJYFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020493763 524892435 /nfs/dbraw/zinc/89/24/35/524892435.db2.gz GCUIMQDBMGZLQC-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc4ccccc4c2O3)cc1 ZINC000225825261 525022134 /nfs/dbraw/zinc/02/21/34/525022134.db2.gz TYJYHKGQBCQYHA-UHFFFAOYSA-N 0 0 437.517 4.037 40 0 IIABRN C[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000223178379 525239057 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4.441 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccc(C)cc2C)cc1 ZINC000022430349 525504967 /nfs/dbraw/zinc/50/49/67/525504967.db2.gz XCGMZXBQQPKXRX-UHFFFAOYSA-N 0 0 440.540 4.263 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2ccccc2)cc1 ZINC000022535435 525507451 /nfs/dbraw/zinc/50/74/51/525507451.db2.gz LJPKWXUJWMQMQP-LJQANCHMSA-N 0 0 440.540 4.202 40 0 IIABRN COc1ccc2cc(CN(C(=O)c3ccc(OC)c(OC)c3)C3CCCC3)c(=O)[nH]c2c1 ZINC000012644702 525626504 /nfs/dbraw/zinc/62/65/04/525626504.db2.gz RFPJZRVFNTZDCL-UHFFFAOYSA-N 0 0 436.508 4.139 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)c2csnn2)cc1 ZINC000012638103 525677077 /nfs/dbraw/zinc/67/70/77/525677077.db2.gz RCOJUESUYLEFJK-FQEVSTJZSA-N 0 0 440.544 4.284 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccncc2)c1 ZINC000035288836 525748339 /nfs/dbraw/zinc/74/83/39/525748339.db2.gz UWGKYRWWGADRRC-UHFFFAOYSA-N 0 0 435.484 4.208 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccncc2)c1 ZINC000035291633 525748643 /nfs/dbraw/zinc/74/86/43/525748643.db2.gz UIHLYYAPHBZJLY-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN Cc1ccsc1CN(C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000035982577 525834495 /nfs/dbraw/zinc/83/44/95/525834495.db2.gz CIRMXDIICDADJC-DVOMOZLQSA-N 0 0 436.426 4.163 40 0 IIABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2csnn2)o1 ZINC000012871623 525874242 /nfs/dbraw/zinc/87/42/42/525874242.db2.gz PBXCUJHDWZPHNX-OAQYLSRUSA-N 0 0 438.553 4.272 40 0 IIABRN C[C@H](C(=O)N(C)C1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000020455633 525930090 /nfs/dbraw/zinc/93/00/90/525930090.db2.gz TUSKXVFNTDVTML-GOSISDBHSA-N 0 0 430.570 4.425 40 0 IIABRN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)nn1C ZINC000035683154 525950973 /nfs/dbraw/zinc/95/09/73/525950973.db2.gz VWZWWOHWBGLYSZ-CQSZACIVSA-N 0 0 448.504 4.345 40 0 IIABRN Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)Nc3ccc(F)c(Cl)c3)nc2-c2ccco2)on1 ZINC000012251590 526038099 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KJJRZJCMZUMLFI-JTQLQIEISA-N 0 0 449.627 4.026 40 0 IIABRN Cc1nnc2sc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nn12 ZINC000020609787 526423940 /nfs/dbraw/zinc/42/39/40/526423940.db2.gz UNHGZDOVRGHOJA-UHFFFAOYSA-N 0 0 425.342 4.109 40 0 IIABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000015638283 526521988 /nfs/dbraw/zinc/52/19/88/526521988.db2.gz ZMMJTAWADFXNIS-ZDUSSCGKSA-N 0 0 437.721 4.264 40 0 IIABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N[C@H]1CCCc2ccccc21 ZINC000022397265 526703964 /nfs/dbraw/zinc/70/39/64/526703964.db2.gz AZLIYDTVWJBGQM-FQEVSTJZSA-N 0 0 444.553 4.276 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1 ZINC000012880137 526734838 /nfs/dbraw/zinc/73/48/38/526734838.db2.gz HILLZAXHZYNSCO-XUZZJYLKSA-N 0 0 444.556 4.357 40 0 IIABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869794 526736002 /nfs/dbraw/zinc/73/60/02/526736002.db2.gz SGTWEIGYFQDGHA-QFIPXVFZSA-N 0 0 446.507 4.382 40 0 IIABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)NC4CCCCC4)C3)c(=O)c2c1C ZINC000012184119 526888511 /nfs/dbraw/zinc/88/85/11/526888511.db2.gz DMNISVRTCDBMGD-IBGZPJMESA-N 0 0 444.645 4.284 40 0 IIABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)N4CCCCCC4)C3)c(=O)c2c1C ZINC000012184131 526889364 /nfs/dbraw/zinc/88/93/64/526889364.db2.gz SYUYGOJOPLZTIN-IBGZPJMESA-N 0 0 444.645 4.238 40 0 IIABRN NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000012254503 527036111 /nfs/dbraw/zinc/03/61/11/527036111.db2.gz XIKZJELUAQURIC-UHFFFAOYSA-N 0 0 425.891 4.075 40 0 IIABRN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cccc(I)c1 ZINC000022020674 527410872 /nfs/dbraw/zinc/41/08/72/527410872.db2.gz MZYMCZOHPZJXLN-UHFFFAOYSA-N 0 0 446.244 4.067 40 0 IIABRN O=C(Nc1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(C(F)(F)F)cc1 ZINC000012375650 527424482 /nfs/dbraw/zinc/42/44/82/527424482.db2.gz WDGPJODAFFIKOA-SLDRDFCHSA-N 0 0 426.394 4.269 40 0 IIABRN O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869999 527507543 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QBTHRWDFQLBCMY-DEOSSOPVSA-N 0 0 432.572 4.017 40 0 IIABRN CSc1nnc2c(n1)O[C@@H](c1cccc(I)c1)Nc1ccccc1-2 ZINC000000805192 555560025 /nfs/dbraw/zinc/56/00/25/555560025.db2.gz UEICXAMPBSWEED-HNNXBMFYSA-N 0 0 448.289 4.368 40 0 IIABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000000903410 555581622 /nfs/dbraw/zinc/58/16/22/555581622.db2.gz SPINYHYSLSXDAN-UHFFFAOYSA-N 0 0 428.587 4.036 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)cc1 ZINC000000952552 555589421 /nfs/dbraw/zinc/58/94/21/555589421.db2.gz OYVNTNOZNBZUKI-UHFFFAOYSA-N 0 0 442.471 4.208 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1csnn1 ZINC000001378476 555693028 /nfs/dbraw/zinc/69/30/28/555693028.db2.gz OTFHLPIUEDZQIM-HSZRJFAPSA-N 0 0 448.592 4.413 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1csnn1 ZINC000001378475 555693146 /nfs/dbraw/zinc/69/31/46/555693146.db2.gz OTFHLPIUEDZQIM-QHCPKHFHSA-N 0 0 448.592 4.413 40 0 IIABRN CCCC[C@@H](CC)Cn1c(=O)c2cc3c(cc2c1=O)c(=O)n(C[C@H](CC)CCCC)c3=O ZINC000001689011 555709601 /nfs/dbraw/zinc/70/96/01/555709601.db2.gz AIWVTMBIGBVWSS-QZTJIDSGSA-N 0 0 440.584 4.345 40 0 IIABRN CCCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408528971 555722286 /nfs/dbraw/zinc/72/22/86/555722286.db2.gz GABAHRGDOJRLIN-UHFFFAOYSA-N 0 0 438.977 4.159 40 0 IIABRN Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccccc2O)c(C)c1 ZINC000408542190 555790419 /nfs/dbraw/zinc/79/04/19/555790419.db2.gz HOGLBGVNBGNZOP-UHFFFAOYSA-N 0 0 437.550 4.444 40 0 IIABRN CC1CCN(C(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)CC1 ZINC000408547826 555802401 /nfs/dbraw/zinc/80/24/01/555802401.db2.gz NMIIWRASLSSNQN-UHFFFAOYSA-N 0 0 444.641 4.179 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1I ZINC000408548415 555805840 /nfs/dbraw/zinc/80/58/40/555805840.db2.gz RDCMKVADGFEFCB-UHFFFAOYSA-N 0 0 437.686 4.062 40 0 IIABRN COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408551734 555859883 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IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)cc1 ZINC000408555791 555892633 /nfs/dbraw/zinc/89/26/33/555892633.db2.gz GHLYVVQMNCSVSP-MRXNPFEDSA-N 0 0 436.961 4.087 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1C ZINC000408556263 555893579 /nfs/dbraw/zinc/89/35/79/555893579.db2.gz HISNJIFRPNZPLY-UHFFFAOYSA-N 0 0 430.570 4.050 40 0 IIABRN CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408557208 555895094 /nfs/dbraw/zinc/89/50/94/555895094.db2.gz MBUGKAHJJLYEQQ-NSHDSACASA-N 0 0 431.341 4.331 40 0 IIABRN CN(Cc1ccccc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000408559941 555899560 /nfs/dbraw/zinc/89/95/60/555899560.db2.gz XGSPKXQAFBPEKA-UHFFFAOYSA-N 0 0 446.931 4.333 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc(COc2ccc(C)cc2)o1 ZINC000408560582 555901748 /nfs/dbraw/zinc/90/17/48/555901748.db2.gz DLBNIKJZYPHEQY-UHFFFAOYSA-N 0 0 428.872 4.198 40 0 IIABRN COc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1Cl ZINC000408562171 555905430 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CCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1NC(=O)c1ccccc1F ZINC000408585973 555936559 /nfs/dbraw/zinc/93/65/59/555936559.db2.gz LXMXHHCBMBCYIH-UHFFFAOYSA-N 0 0 440.496 4.228 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1Cl ZINC000408586463 555939174 /nfs/dbraw/zinc/93/91/74/555939174.db2.gz AHWAQZOBTNTIOL-HNNXBMFYSA-N 0 0 438.977 4.476 40 0 IIABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408590106 555947219 /nfs/dbraw/zinc/94/72/19/555947219.db2.gz JELXCIBDUKGAOR-LBPRGKRZSA-N 0 0 431.341 4.086 40 0 IIABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(C)C)C2=O)cc1 ZINC000408599084 555958073 /nfs/dbraw/zinc/95/80/73/555958073.db2.gz DNEWSABXNKJRFT-UDWIEESQSA-N 0 0 440.521 4.405 40 0 IIABRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O ZINC000408599825 555958382 /nfs/dbraw/zinc/95/83/82/555958382.db2.gz LQXJVIJXTLSLFD-UDWIEESQSA-N 0 0 440.521 4.405 40 0 IIABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C(=O)NC1CCCCC1 ZINC000408593975 555960257 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445.357 4.121 40 0 IIABRN CCOc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408614104 555984357 /nfs/dbraw/zinc/98/43/57/555984357.db2.gz YKPISCZIOMCLSI-KRWDZBQOSA-N 0 0 446.569 4.102 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)Cc2ccccc2)cc1 ZINC000408613995 555984370 /nfs/dbraw/zinc/98/43/70/555984370.db2.gz XEKBCJRGGMBNHG-UHFFFAOYSA-N 0 0 428.598 4.415 40 0 IIABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccc(F)cc3)CC2=O)c1 ZINC000408614422 555985008 /nfs/dbraw/zinc/98/50/08/555985008.db2.gz CANDZKOQXKOFIM-IBGZPJMESA-N 0 0 445.494 4.056 40 0 IIABRN CCc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1 ZINC000408621339 555990220 /nfs/dbraw/zinc/99/02/20/555990220.db2.gz RMFFIGMFRPGOJT-UHFFFAOYSA-N 0 0 434.867 4.326 40 0 IIABRN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)o2)c1 ZINC000408638903 556016174 /nfs/dbraw/zinc/01/61/74/556016174.db2.gz UYDSMRUZLANCTR-UHFFFAOYSA-N 0 0 435.889 4.147 40 0 IIABRN COc1ccc(CCNC(=O)c2cc3c(nc(SC)nc3N3CCCCC3)s2)cc1 ZINC000408636098 556018647 /nfs/dbraw/zinc/01/86/47/556018647.db2.gz LFCFQCUHDAAYRH-UHFFFAOYSA-N 0 0 442.610 4.385 40 0 IIABRN CCN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000408636501 556019287 /nfs/dbraw/zinc/01/92/87/556019287.db2.gz RFXVRUHGPPRYQY-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CCCCC1 ZINC000408637246 556020194 /nfs/dbraw/zinc/02/01/94/556020194.db2.gz YOJGEEHVYKMLIW-UHFFFAOYSA-N 0 0 443.352 4.186 40 0 IIABRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408645168 556021204 /nfs/dbraw/zinc/02/12/04/556021204.db2.gz HOWVMZJMVSZSPH-COXVUDFISA-N 0 0 444.940 4.063 40 0 IIABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1 ZINC000408642631 556023387 /nfs/dbraw/zinc/02/33/87/556023387.db2.gz PGZYAENJODZXQO-OAHLLOKOSA-N 0 0 431.330 4.456 40 0 IIABRN CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000408644384 556024552 /nfs/dbraw/zinc/02/45/52/556024552.db2.gz FEPFVDUFVOMPDB-UHFFFAOYSA-N 0 0 448.903 4.038 40 0 IIABRN O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)Nc1ccc(Cl)cc1Cl ZINC000408648533 556029323 /nfs/dbraw/zinc/02/93/23/556029323.db2.gz ZAEKZVKTJROPAW-UHFFFAOYSA-N 0 0 435.185 4.290 40 0 IIABRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O ZINC000408652935 556031019 /nfs/dbraw/zinc/03/10/19/556031019.db2.gz PFPDKPMVENQOCQ-KRWDZBQOSA-N 0 0 433.291 4.161 40 0 IIABRN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408656473 556036453 /nfs/dbraw/zinc/03/64/53/556036453.db2.gz SPNDUWVVDHGWTR-TZMCWYRMSA-N 0 0 436.291 4.170 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cc(C)ccc1C ZINC000408662600 556044790 /nfs/dbraw/zinc/04/47/90/556044790.db2.gz FSBFGBRIVMPKBD-UHFFFAOYSA-N 0 0 432.904 4.256 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408663099 556045691 /nfs/dbraw/zinc/04/56/91/556045691.db2.gz YDEKELYUONTMCU-CDHQVMDDSA-N 0 0 438.911 4.001 40 0 IIABRN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408668591 556053922 /nfs/dbraw/zinc/05/39/22/556053922.db2.gz VEKFCCZFPRPPHL-UHFFFAOYSA-N 0 0 432.904 4.338 40 0 IIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408667249 556055478 /nfs/dbraw/zinc/05/54/78/556055478.db2.gz VFZDHZDHTKUGNT-TUUBTQOTSA-N 0 0 436.294 4.490 40 0 IIABRN CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000408667967 556056897 /nfs/dbraw/zinc/05/68/97/556056897.db2.gz SNQDLBQUZWPQSF-UHFFFAOYSA-N 0 0 430.888 4.142 40 0 IIABRN COc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000408670254 556057544 /nfs/dbraw/zinc/05/75/44/556057544.db2.gz ZAUGSHDSKNLYNA-UHFFFAOYSA-N 0 0 438.402 4.005 40 0 IIABRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c(C)c1 ZINC000408670882 556058795 /nfs/dbraw/zinc/05/87/95/556058795.db2.gz XNQGZLWVDZRLPO-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000408671605 556061136 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556286013 /nfs/dbraw/zinc/28/60/13/556286013.db2.gz WWKHVCJKQUHQAE-NRFANRHFSA-N 0 0 446.569 4.135 40 0 IIABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714404 556286405 /nfs/dbraw/zinc/28/64/05/556286405.db2.gz GMSWKBBSOGUABM-INIZCTEOSA-N 0 0 431.341 4.185 40 0 IIABRN CC[C@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715476 556286955 /nfs/dbraw/zinc/28/69/55/556286955.db2.gz PHMAJSVJDSNWTF-QGZVFWFLSA-N 0 0 443.338 4.080 40 0 IIABRN CCCCn1c2nnc(SCc3cc(C(C)=O)ccc3OC)n2c2ccccc2c1=O ZINC000009671072 556305558 /nfs/dbraw/zinc/30/55/58/556305558.db2.gz RAJJEAQGAWAMPE-UHFFFAOYSA-N 0 0 436.537 4.348 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3OC)cc2)cc1 ZINC000009886187 556314951 /nfs/dbraw/zinc/31/49/51/556314951.db2.gz VHRGOSJDQPGJIP-FRKPEAEDSA-N 0 0 438.505 4.157 40 0 IIABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000009904334 556316018 /nfs/dbraw/zinc/31/60/18/556316018.db2.gz NFGSHFQPMNLHQI-UHFFFAOYSA-N 0 0 428.535 4.227 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCc1ccccc1 ZINC000010110254 556325255 /nfs/dbraw/zinc/32/52/55/556325255.db2.gz RCHUYPWTRHYKMB-UHFFFAOYSA-N 0 0 442.968 4.284 40 0 IIABRN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000010156750 556326972 /nfs/dbraw/zinc/32/69/72/556326972.db2.gz TXPCILXFRICZBW-UHFFFAOYSA-N 0 0 433.895 4.007 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2ccc(C)c(Cl)c2)cc1 ZINC000010541298 556336529 /nfs/dbraw/zinc/33/65/29/556336529.db2.gz BJAFYZXICYVFHG-KRWDZBQOSA-N 0 0 434.989 4.411 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000014233590 556398893 /nfs/dbraw/zinc/39/88/93/556398893.db2.gz RTFQVQJTUWMOIK-LJQANCHMSA-N 0 0 438.549 4.076 40 0 IIABRN CCOC(=O)C1CCN(c2ccc(NCc3cc4cc(CC)ccc4[nH]c3=O)cc2)CC1 ZINC000012088321 556401253 /nfs/dbraw/zinc/40/12/53/556401253.db2.gz BJHVSECBGSNSIN-UHFFFAOYSA-N 0 0 433.552 4.482 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000014369830 556414751 /nfs/dbraw/zinc/41/47/51/556414751.db2.gz DTIPLQJNVNAFGR-LJQANCHMSA-N 0 0 438.549 4.076 40 0 IIABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccccc4O)cc3)s2)cc1 ZINC000039768758 556437309 /nfs/dbraw/zinc/43/73/09/556437309.db2.gz DGXBAUDMRHKHFK-UHFFFAOYSA-N 0 0 446.488 4.424 40 0 IIABRN CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(Cl)cc1Br ZINC000028188708 556444615 /nfs/dbraw/zinc/44/46/15/556444615.db2.gz TXNGNEBNGDXYDG-UHFFFAOYSA-N 0 0 442.722 4.251 40 0 IIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000028189515 556444939 /nfs/dbraw/zinc/44/49/39/556444939.db2.gz XNMNUERGLSUPGZ-LBPRGKRZSA-N 0 0 436.331 4.377 40 0 IIABRN COc1cccc(OCCSc2nc3ccccc3n2CC(=O)NC2CCCC2)c1 ZINC000028304788 556452116 /nfs/dbraw/zinc/45/21/16/556452116.db2.gz SSSVUZODDSBDLJ-UHFFFAOYSA-N 0 0 425.554 4.275 40 0 IIABRN O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000029026686 556465961 /nfs/dbraw/zinc/46/59/61/556465961.db2.gz MFVFZMNSLIRCDB-KRWDZBQOSA-N 0 0 446.544 4.187 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3F)CC2)c(C)c1 ZINC000015001529 556479817 /nfs/dbraw/zinc/47/98/17/556479817.db2.gz XDAONBJTLZHVSR-UHFFFAOYSA-N 0 0 440.487 4.069 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1C ZINC000030327923 556492917 /nfs/dbraw/zinc/49/29/17/556492917.db2.gz SWKBZFQJBGOMKL-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)C[C@H](C)O5)C3)cc2n1 ZINC000013225555 556499400 /nfs/dbraw/zinc/49/94/00/556499400.db2.gz SVFFKQJOWZHIIN-GOEBONIOSA-N 0 0 444.457 4.400 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1OC ZINC000030754265 556504099 /nfs/dbraw/zinc/50/40/99/556504099.db2.gz UGZISOFQBVQTFS-LLVKDONJSA-N 0 0 428.710 4.376 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 ZINC000030754838 556504191 /nfs/dbraw/zinc/50/41/91/556504191.db2.gz AOYYZSFFJQKOGW-FQEVSTJZSA-N 0 0 428.598 4.031 40 0 IIABRN Nc1cc(=O)[nH]c2c1[C@@H](c1ccc(Br)cc1)c1c(=O)oc3ccccc3c1O2 ZINC000013410356 556505120 /nfs/dbraw/zinc/50/51/20/556505120.db2.gz NQROFBNPYRWECG-MRXNPFEDSA-N 0 0 437.249 4.112 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000030757591 556505212 /nfs/dbraw/zinc/50/52/12/556505212.db2.gz RIGZGQAIFVHJAL-QHCPKHFHSA-N 0 0 434.561 4.460 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCc3ccc(C(C)C)cc3)CC2)c1 ZINC000030853785 556509620 /nfs/dbraw/zinc/50/96/20/556509620.db2.gz IMJMLRROYFLDEF-UHFFFAOYSA-N 0 0 442.625 4.019 40 0 IIABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC)c1ccc(C)cc1 ZINC000030856957 556510421 /nfs/dbraw/zinc/51/04/21/556510421.db2.gz VHZYTURYIGRZDC-NRFANRHFSA-N 0 0 430.570 4.059 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000030858142 556510768 /nfs/dbraw/zinc/51/07/68/556510768.db2.gz JJIPOVIFFLHBSE-QFIPXVFZSA-N 0 0 444.597 4.305 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000030861854 556511399 /nfs/dbraw/zinc/51/13/99/556511399.db2.gz SRARGLQOWIVYIG-UHFFFAOYSA-N 0 0 434.989 4.341 40 0 IIABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000030869883 556513502 /nfs/dbraw/zinc/51/35/02/556513502.db2.gz QCWBVVBSSNYIOP-LJQANCHMSA-N 0 0 430.570 4.192 40 0 IIABRN COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000015381678 556523978 /nfs/dbraw/zinc/52/39/78/556523978.db2.gz QTAYTESAGCCHRI-UHFFFAOYSA-N 0 0 438.549 4.101 40 0 IIABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000013582975 556528383 /nfs/dbraw/zinc/52/83/83/556528383.db2.gz RZNQLZOWPLFQHX-UHFFFAOYSA-N 0 0 442.562 4.495 40 0 IIABRN Cc1cc(OCC(=O)Nc2ncc(I)cc2C)cc(C)c1Cl ZINC000032125454 556535182 /nfs/dbraw/zinc/53/51/82/556535182.db2.gz SQNHGGCCBQCBIR-UHFFFAOYSA-N 0 0 430.673 4.282 40 0 IIABRN Cc1ccc(F)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015591941 556536490 /nfs/dbraw/zinc/53/64/90/556536490.db2.gz LTRCCUMVVXWFFK-UHFFFAOYSA-N 0 0 426.513 4.327 40 0 IIABRN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4cc(Cl)ccc4N3[C@@H](C(=O)c3ccccc3)[C@@H]2C1=O ZINC000013625903 556537101 /nfs/dbraw/zinc/53/71/01/556537101.db2.gz IOTZCKSJUFVLPC-CIAFKFPVSA-N 0 0 434.923 4.208 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508580 556540062 /nfs/dbraw/zinc/54/00/62/556540062.db2.gz IAXOBSXKMWRMQB-ZWKOTPCHSA-N 0 0 441.405 4.264 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508578 556540090 /nfs/dbraw/zinc/54/00/90/556540090.db2.gz IAXOBSXKMWRMQB-ROUUACIJSA-N 0 0 441.405 4.264 40 0 IIABRN CC(C)c1ccc(Nc2nc(N)nc(CSc3nnc4[nH]c5ccccc5n43)n2)cc1 ZINC000013638541 556541894 /nfs/dbraw/zinc/54/18/94/556541894.db2.gz OQPXBGVCGDAUFE-UHFFFAOYSA-N 0 0 431.529 4.137 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032639955 556544060 /nfs/dbraw/zinc/54/40/60/556544060.db2.gz XELXDQRCVCTUJA-IAGOWNOFSA-N 0 0 445.368 4.408 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(c3cccc(Cl)c3)[C@H]2C1 ZINC000032639715 556544072 /nfs/dbraw/zinc/54/40/72/556544072.db2.gz ZEPQHSJGIVYITJ-IRXDYDNUSA-N 0 0 427.378 4.268 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(C)cc2C)cc1 ZINC000013649472 556545245 /nfs/dbraw/zinc/54/52/45/556545245.db2.gz FRCNERLERXAVEL-UHFFFAOYSA-N 0 0 434.561 4.396 40 0 IIABRN C[C@H]1CCCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)C1 ZINC000013649156 556545250 /nfs/dbraw/zinc/54/52/50/556545250.db2.gz FDKDHDQBMJABFI-HNNXBMFYSA-N 0 0 441.380 4.447 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1)N2c1cc(Cl)cc(Cl)c1 ZINC000032640608 556545449 /nfs/dbraw/zinc/54/54/49/556545449.db2.gz PDSWZYDIZYHWFW-SJORKVTESA-N 0 0 427.378 4.268 40 0 IIABRN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013667508 556548683 /nfs/dbraw/zinc/54/86/83/556548683.db2.gz XVPONCICSRCCAV-QWHCGFSZSA-N 0 0 427.353 4.126 40 0 IIABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 ZINC000013668295 556549030 /nfs/dbraw/zinc/54/90/30/556549030.db2.gz QMXLBHCZWXQJIL-UHFFFAOYSA-N 0 0 442.968 4.284 40 0 IIABRN Cc1cccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000013670330 556551325 /nfs/dbraw/zinc/55/13/25/556551325.db2.gz WABOIKALCANKKD-UHFFFAOYSA-N 0 0 440.540 4.078 40 0 IIABRN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013679544 556556017 /nfs/dbraw/zinc/55/60/17/556556017.db2.gz LKEWBJTUDQELBC-ZDUSSCGKSA-N 0 0 445.343 4.313 40 0 IIABRN COc1cc(/C=C2\N=C(c3ccc(Br)c(C)c3)OC2=O)cc(OC)c1OC ZINC000016282099 556596481 /nfs/dbraw/zinc/59/64/81/556596481.db2.gz CHTZSPYCAGWOIC-NVNXTCNLSA-N 0 0 432.270 4.128 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000016293483 556598702 /nfs/dbraw/zinc/59/87/02/556598702.db2.gz HNOLLMFNJFAFAC-UHFFFAOYSA-N 0 0 432.448 4.092 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000016293449 556598707 /nfs/dbraw/zinc/59/87/07/556598707.db2.gz RGZNDFAHSFQJEY-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN Cc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000036631341 556599142 /nfs/dbraw/zinc/59/91/42/556599142.db2.gz QJAZYSOFMVHPHW-SFHVURJKSA-N 0 0 429.929 4.124 40 0 IIABRN Cc1nnc2sc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)nn12 ZINC000016363510 556603440 /nfs/dbraw/zinc/60/34/40/556603440.db2.gz JLMNGBYOFAYFOR-UHFFFAOYSA-N 0 0 434.308 4.486 40 0 IIABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016450840 556609451 /nfs/dbraw/zinc/60/94/51/556609451.db2.gz DAZGFYLOKCFBLJ-RMKNXTFCSA-N 0 0 435.471 4.068 40 0 IIABRN O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccccc1N1CCCCC1 ZINC000016450413 556609518 /nfs/dbraw/zinc/60/95/18/556609518.db2.gz DOIIZGISZJFQNR-UHFFFAOYSA-N 0 0 448.386 4.331 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000016576320 556616205 /nfs/dbraw/zinc/61/62/05/556616205.db2.gz WMHQOXHXYVYWQJ-FQEVSTJZSA-N 0 0 428.598 4.148 40 0 IIABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccc(C)cc1 ZINC000038755323 556617515 /nfs/dbraw/zinc/61/75/15/556617515.db2.gz ILBLFZMYPHMIAB-QFIPXVFZSA-N 0 0 444.597 4.449 40 0 IIABRN COC(=O)c1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc(C(=O)OC)c1 ZINC000038771671 556618927 /nfs/dbraw/zinc/61/89/27/556618927.db2.gz CHFXMNGFGLYXFL-UHFFFAOYSA-N 0 0 442.320 4.439 40 0 IIABRN Cc1ccccc1[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000038772926 556619465 /nfs/dbraw/zinc/61/94/65/556619465.db2.gz LHOMNZGJTBBVHL-RUZDIDTESA-N 0 0 448.588 4.440 40 0 IIABRN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038834602 556622799 /nfs/dbraw/zinc/62/27/99/556622799.db2.gz OGAZDNHDNVAPHI-UHFFFAOYSA-N 0 0 445.357 4.477 40 0 IIABRN COc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000514289245 556625486 /nfs/dbraw/zinc/62/54/86/556625486.db2.gz GQHJLZIKQCKRMF-WPFOTENUSA-N 0 0 428.598 4.130 40 0 biogenic,in-vitro IIABRN COc1ccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000514289952 556625751 /nfs/dbraw/zinc/62/57/51/556625751.db2.gz PYBSFDUEIOZUBC-SONWIMMPSA-N 0 0 436.577 4.253 40 0 biogenic,in-vitro IIABRN CCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000039985318 556631612 /nfs/dbraw/zinc/63/16/12/556631612.db2.gz PAKMNRJSDAXHEN-UHFFFAOYSA-N 0 0 426.563 4.487 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000039986197 556632717 /nfs/dbraw/zinc/63/27/17/556632717.db2.gz AXEHWMKVCGTAFH-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN COc1ccc(Cn2ccc3c(cnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1OC ZINC000040387998 556636280 /nfs/dbraw/zinc/63/62/80/556636280.db2.gz IAQGSXSBRZOPRW-UHFFFAOYSA-N 0 0 426.476 4.085 40 0 IIABRN CCc1nn2c(ncc3c2ccn(Cc2ccc(OC)c(OC)c2)c3=O)c1-c1ccccc1 ZINC000040387842 556636301 /nfs/dbraw/zinc/63/63/01/556636301.db2.gz VMWHWBZQFBZEEX-UHFFFAOYSA-N 0 0 440.503 4.339 40 0 IIABRN CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101025253 556644292 /nfs/dbraw/zinc/64/42/92/556644292.db2.gz HZCHVXGZXPEOCQ-FHWLQOOXSA-N 0 0 429.314 4.318 40 0 IIABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(O)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101078887 556653759 /nfs/dbraw/zinc/65/37/59/556653759.db2.gz QQENCQLIBAWUEO-SGNDLWITSA-N 0 0 444.487 4.232 40 0 IIABRN O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc(Cl)c1 ZINC000017099743 556664993 /nfs/dbraw/zinc/66/49/93/556664993.db2.gz PTZQRRSFFHXXED-UHFFFAOYSA-N 0 0 435.892 4.267 40 0 IIABRN Cc1ccccc1[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000044841061 556668349 /nfs/dbraw/zinc/66/83/49/556668349.db2.gz YVISYMNZNAZLOD-QHCPKHFHSA-N 0 0 442.968 4.320 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc(C)cc1 ZINC000044847322 556669698 /nfs/dbraw/zinc/66/96/98/556669698.db2.gz QFFVATFOPPNDLU-JOCHJYFZSA-N 0 0 449.016 4.458 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1C ZINC000044856426 556672235 /nfs/dbraw/zinc/67/22/35/556672235.db2.gz UVCITTLVFBARQM-JTSKRJEESA-N 0 0 444.597 4.005 40 0 IIABRN COc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 ZINC000017227232 556674002 /nfs/dbraw/zinc/67/40/02/556674002.db2.gz USHDLKJZRFHQSC-UHFFFAOYSA-N 0 0 439.415 4.407 40 0 IIABRN C(=C\c1ccccc1)\COc1ccccc1[C@@H](n1nc2ccccc2n1)N1CCOCC1 ZINC000017255881 556674227 /nfs/dbraw/zinc/67/42/27/556674227.db2.gz PIMGGIQTFBWETK-YTILDKKBSA-N 0 0 426.520 4.403 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccc(C)cc3)cc2)cc1 ZINC000044883105 556674473 /nfs/dbraw/zinc/67/44/73/556674473.db2.gz UZMNVXXOTCBLQQ-UHFFFAOYSA-N 0 0 438.549 4.101 40 0 IIABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000044903861 556679230 /nfs/dbraw/zinc/67/92/30/556679230.db2.gz LPXVSMKHQCCYLZ-UHFFFAOYSA-N 0 0 449.960 4.026 40 0 IIABRN COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000018076476 556683262 /nfs/dbraw/zinc/68/32/62/556683262.db2.gz FTWDZLMCNLPAKF-UHFFFAOYSA-N 0 0 438.549 4.385 40 0 IIABRN CC(=O)CCC(=O)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019016234 556692315 /nfs/dbraw/zinc/69/23/15/556692315.db2.gz BTJLUYSLXRPVQA-ZDUSSCGKSA-N 0 0 436.459 4.162 40 0 IIABRN CCOc1ccc(N([C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000260408834 556694240 /nfs/dbraw/zinc/69/42/40/556694240.db2.gz NZJCXKKFTUYSBI-XMSQKQJNSA-N 0 0 432.586 4.143 40 0 IIABRN COc1ccccc1CNC(=O)Nc1ccc(NC(=O)NCc2ccccc2OC)cc1 ZINC000019075281 556694851 /nfs/dbraw/zinc/69/48/51/556694851.db2.gz CXZSYSUZFBUHFO-UHFFFAOYSA-N 0 0 434.496 4.347 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000796903 556695786 /nfs/dbraw/zinc/69/57/86/556695786.db2.gz QBXUCWDGYAGERT-AWEZNQCLSA-N 0 0 427.353 4.341 40 0 IIABRN O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000000800218 556696056 /nfs/dbraw/zinc/69/60/56/556696056.db2.gz CMBVVFVHVKGXBE-KRWDZBQOSA-N 0 0 440.443 4.172 40 0 IIABRN COc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000000800246 556696356 /nfs/dbraw/zinc/69/63/56/556696356.db2.gz MCVBFKMJEZNBIU-KRWDZBQOSA-N 0 0 426.460 4.452 40 0 IIABRN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccccc1Cl ZINC000000806130 556696927 /nfs/dbraw/zinc/69/69/27/556696927.db2.gz CSHRUVUIATVTOI-UHFFFAOYSA-N 0 0 426.925 4.339 40 0 IIABRN COCCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)(C)C)C1 ZINC000019082874 556697621 /nfs/dbraw/zinc/69/76/21/556697621.db2.gz QXEKIUNUYZYQIV-SANMLTNESA-N 0 0 440.559 4.205 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C[C@H]4CCCO4)C3)cc2N1 ZINC000019083355 556697908 /nfs/dbraw/zinc/69/79/08/556697908.db2.gz QTIRFSGUARRBFN-XYVMCAHJSA-N 0 0 442.526 4.492 40 0 IIABRN COCCOc1ccc(CN2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000019116887 556700276 /nfs/dbraw/zinc/70/02/76/556700276.db2.gz RGZHFRYDNWLACB-LJQANCHMSA-N 0 0 434.462 4.419 40 0 IIABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2)on1 ZINC000019122001 556701460 /nfs/dbraw/zinc/70/14/60/556701460.db2.gz UBVUOTCIVNVRJD-SFHVURJKSA-N 0 0 432.933 4.318 40 0 IIABRN O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257204688 556701573 /nfs/dbraw/zinc/70/15/73/556701573.db2.gz AVXCDOFKDJVJTD-XMMPIXPASA-N 0 0 444.510 4.221 40 0 IIABRN COc1ccccc1CC(=O)NCc1ccc(-c2nc(C)ncc2-c2cc(C)no2)cc1 ZINC000019123895 556702569 /nfs/dbraw/zinc/70/25/69/556702569.db2.gz ZCDGHUZASSVDPI-UHFFFAOYSA-N 0 0 428.492 4.283 40 0 IIABRN COc1ccccc1CC(=O)N1CCCC[C@H]2CN(C(=O)c3ccc4oc(C)cc4c3)C[C@H]21 ZINC000019126420 556703441 /nfs/dbraw/zinc/70/34/41/556703441.db2.gz ZKUKGLCVRLGLAA-JTHBVZDNSA-N 0 0 446.547 4.446 40 0 IIABRN O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 ZINC000257329758 556705565 /nfs/dbraw/zinc/70/55/65/556705565.db2.gz XLKHEBZRKQTXLX-NRFANRHFSA-N 0 0 426.520 4.409 40 0 IIABRN COc1ccccc1-c1cccc(CC2(C(=O)NCCn3ccc(C)n3)CCOCC2)c1 ZINC000257341676 556707016 /nfs/dbraw/zinc/70/70/16/556707016.db2.gz ZLKILVVBYRADFP-UHFFFAOYSA-N 0 0 433.552 4.023 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)C1)N2 ZINC000019210834 556709180 /nfs/dbraw/zinc/70/91/80/556709180.db2.gz NLSLLLBPCHHIKB-LCLWPZTBSA-N 0 0 432.515 4.196 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000257233056 556709422 /nfs/dbraw/zinc/70/94/22/556709422.db2.gz GNNSVMFMTXJQBU-HSZRJFAPSA-N 0 0 431.536 4.083 40 0 IIABRN COc1ccccc1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1 ZINC000019212907 556710795 /nfs/dbraw/zinc/71/07/95/556710795.db2.gz ABOONFWOJCZSCA-QFIPXVFZSA-N 0 0 428.532 4.102 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCC4(C[C@@H](Oc5ccccc5)CO4)CC3)CCOCC2)cc1 ZINC000257254484 556712033 /nfs/dbraw/zinc/71/20/33/556712033.db2.gz KDGAHMYSIIZQHR-XMMPIXPASA-N 0 0 435.564 4.272 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257257848 556712297 /nfs/dbraw/zinc/71/22/97/556712297.db2.gz KRHUXSUNZLBJOA-SFHVURJKSA-N 0 0 429.476 4.346 40 0 IIABRN COc1ccccc1CC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(N)=O)CC1 ZINC000257266335 556712995 /nfs/dbraw/zinc/71/29/95/556712995.db2.gz MCOMKLUBBNNEQU-UHFFFAOYSA-N 0 0 448.588 4.303 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000257269384 556713536 /nfs/dbraw/zinc/71/35/36/556713536.db2.gz MPSPTACRODZUPH-GMAHTHKFSA-N 0 0 448.485 4.484 40 0 IIABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@H](C)n4cncn4)C3)c(-c3ccncc3)c2c1 ZINC000019220199 556714703 /nfs/dbraw/zinc/71/47/03/556714703.db2.gz JSYSTOIYIAGIOX-ICSRJNTNSA-N 0 0 428.540 4.487 40 0 IIABRN Cc1ccc2oc(C(=O)N3CCNC(=O)[C@H](Cc4ccccc4-c4ccncc4)C3)cc2c1 ZINC000019221342 556715434 /nfs/dbraw/zinc/71/54/34/556715434.db2.gz QOHBPXQMDGOPNV-JOCHJYFZSA-N 0 0 439.515 4.234 40 0 IIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@@H]3CCCOC3)CCOCC2)cc1 ZINC000257291954 556716404 /nfs/dbraw/zinc/71/64/04/556716404.db2.gz QJJMVPJBERZIER-FQEVSTJZSA-N 0 0 441.543 4.383 40 0 IIABRN Cc1cccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccc(F)cc2F)CC1 ZINC000019237683 556722836 /nfs/dbraw/zinc/72/28/36/556722836.db2.gz KPCNOAGBVHMANS-DEOSSOPVSA-N 0 0 427.470 4.211 40 0 IIABRN CCOC(=O)c1c(NC(=O)c2cc3cc(OC)ccc3oc2=O)sc2c1CCCC2 ZINC000000861842 556722928 /nfs/dbraw/zinc/72/29/28/556722928.db2.gz ZNHJLFCFTODJFA-UHFFFAOYSA-N 0 0 427.478 4.171 40 0 IIABRN Cc1cnccc1C(=O)N1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 ZINC000019239488 556725077 /nfs/dbraw/zinc/72/50/77/556725077.db2.gz DIAVLPMWZODXHW-UHFFFAOYSA-N 0 0 440.482 4.323 40 0 IIABRN COc1ccccc1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1C ZINC000019239728 556725475 /nfs/dbraw/zinc/72/54/75/556725475.db2.gz XWDSYIJPKRBMKU-QFIPXVFZSA-N 0 0 445.567 4.218 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)Cc1ccccc1 ZINC000000871345 556725863 /nfs/dbraw/zinc/72/58/63/556725863.db2.gz OFJOANOFSJRIQY-UHFFFAOYSA-N 0 0 426.469 4.416 40 0 IIABRN COc1ccccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 ZINC000019240901 556726644 /nfs/dbraw/zinc/72/66/44/556726644.db2.gz QOCOJBAYZURAEW-NRFANRHFSA-N 0 0 429.524 4.055 40 0 IIABRN Cc1ccc(NCc2nc(SCC(=O)Nc3ccc(Br)cc3)n[nH]2)cc1 ZINC000000873483 556728096 /nfs/dbraw/zinc/72/80/96/556728096.db2.gz YCFWWASPTGEYND-UHFFFAOYSA-N 0 0 432.347 4.219 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NC[C@@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000000875499 556728407 /nfs/dbraw/zinc/72/84/07/556728407.db2.gz ZTKYJYJUKSOFBS-NRFANRHFSA-N 0 0 427.614 4.333 40 0 IIABRN O=C([C@@H]1CCCO1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019294113 556734058 /nfs/dbraw/zinc/73/40/58/556734058.db2.gz QSRPKQWXOXOJTG-SFTDATJTSA-N 0 0 433.487 4.264 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000883317 556734317 /nfs/dbraw/zinc/73/43/17/556734317.db2.gz JZKYEEYFZFDZFR-UHFFFAOYSA-N 0 0 448.544 4.236 40 0 IIABRN COc1ccc(CN(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=S)NCC(C)C)cc1 ZINC000000884371 556734527 /nfs/dbraw/zinc/73/45/27/556734527.db2.gz AGKPXTXFZDLSRC-UHFFFAOYSA-N 0 0 439.581 4.078 40 0 IIABRN Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc43)c(=O)[nH]c12 ZINC000000889349 556739159 /nfs/dbraw/zinc/73/91/59/556739159.db2.gz TVCDLUPEEFOFHG-XMMPIXPASA-N 0 0 440.551 4.480 40 0 IIABRN c1cncc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ccc3c(c2)OCO3)c1 ZINC000019340190 556739879 /nfs/dbraw/zinc/73/98/79/556739879.db2.gz TUOXESMEZUPCPH-UHFFFAOYSA-N 0 0 426.432 4.275 40 0 IIABRN Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000000891459 556739937 /nfs/dbraw/zinc/73/99/37/556739937.db2.gz RLGJKRSHPAPWLG-UHFFFAOYSA-N 0 0 428.521 4.097 40 0 IIABRN Cc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000891867 556740158 /nfs/dbraw/zinc/74/01/58/556740158.db2.gz MOFZJSRGGIBDBG-UHFFFAOYSA-N 0 0 436.508 4.367 40 0 IIABRN CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000000898767 556741347 /nfs/dbraw/zinc/74/13/47/556741347.db2.gz JTYDSSBHBJHTLH-UHFFFAOYSA-N 0 0 425.558 4.266 40 0 IIABRN O=S(=O)(c1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1)N1CCCC1 ZINC000000901976 556742154 /nfs/dbraw/zinc/74/21/54/556742154.db2.gz WBCAAMKFFWMOER-UHFFFAOYSA-N 0 0 435.958 4.467 40 0 IIABRN CCc1ccc2[nH]c(=O)c(CN(C(=S)NC[C@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000000916835 556746999 /nfs/dbraw/zinc/74/69/99/556746999.db2.gz OJEKYVXFGUZFOU-OAQYLSRUSA-N 0 0 427.614 4.279 40 0 IIABRN 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556753259 /nfs/dbraw/zinc/75/32/59/556753259.db2.gz SGRXKDZRNWUNHY-UHFFFAOYSA-N 0 0 434.569 4.202 40 0 IIABRN Cc1cc2cc(CN(Cc3ccco3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2cc1C ZINC000000927126 556753744 /nfs/dbraw/zinc/75/37/44/556753744.db2.gz KQBVBQUCGBHPIS-UHFFFAOYSA-N 0 0 432.528 4.042 40 0 IIABRN CCOC(=O)C(C)(C)Sc1nnc(COc2cccc(OC)c2)n1Cc1ccccc1 ZINC000000929038 556755025 /nfs/dbraw/zinc/75/50/25/556755025.db2.gz VGKXVCKOFCIERM-UHFFFAOYSA-N 0 0 441.553 4.348 40 0 IIABRN COC(=O)c1cccc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)c1 ZINC000000929686 556755362 /nfs/dbraw/zinc/75/53/62/556755362.db2.gz RDXJLFHVKHKBQK-UHFFFAOYSA-N 0 0 434.521 4.325 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 ZINC000019448901 556758700 /nfs/dbraw/zinc/75/87/00/556758700.db2.gz WIIBANPLKRVXEX-MHZLTWQESA-N 0 0 442.563 4.133 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019448875 556758758 /nfs/dbraw/zinc/75/87/58/556758758.db2.gz AGDNXARCTLONSZ-HHHXNRCGSA-N 0 0 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YPPXGEVBHAHNRU-XMMPIXPASA-N 0 0 438.531 4.380 40 0 IIABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCc4ccccc43)cc2c1 ZINC000008671881 556844145 /nfs/dbraw/zinc/84/41/45/556844145.db2.gz ISGMIHLSQOEQFW-RUZDIDTESA-N 0 0 448.530 4.023 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000008677188 556844249 /nfs/dbraw/zinc/84/42/49/556844249.db2.gz BBTHCSBXBWJJMQ-GOSISDBHSA-N 0 0 430.505 4.272 40 0 IIABRN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2sc(C)nc2C)c1 ZINC000019689369 556844284 /nfs/dbraw/zinc/84/42/84/556844284.db2.gz HOPGUPSFGLNGSZ-LJQANCHMSA-N 0 0 437.569 4.269 40 0 IIABRN CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)o1 ZINC000019689872 556844968 /nfs/dbraw/zinc/84/49/68/556844968.db2.gz PWPWGCYMURFING-LJQANCHMSA-N 0 0 435.528 4.054 40 0 IIABRN Cc1c(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019694304 556850131 /nfs/dbraw/zinc/85/01/31/556850131.db2.gz VDCHWONYLHMXBD-HXUWFJFHSA-N 0 0 438.963 4.272 40 0 IIABRN Cc1nc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cs1 ZINC000019694339 556850133 /nfs/dbraw/zinc/85/01/33/556850133.db2.gz JIVBKOKAJYKCAI-FQEVSTJZSA-N 0 0 439.560 4.410 40 0 IIABRN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)n1 ZINC000019694653 556850751 /nfs/dbraw/zinc/85/07/51/556850751.db2.gz MBNMQAZYCBDNQU-LJQANCHMSA-N 0 0 433.531 4.167 40 0 IIABRN COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCCN1Cc1cccnc1 ZINC000019694840 556851077 /nfs/dbraw/zinc/85/10/77/556851077.db2.gz NYYLBVUWZMQCLL-HXUWFJFHSA-N 0 0 433.556 4.349 40 0 IIABRN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 ZINC000019695144 556851239 /nfs/dbraw/zinc/85/12/39/556851239.db2.gz IBBAFSSZZNTKBU-UHFFFAOYSA-N 0 0 448.571 4.085 40 0 IIABRN Cc1nc([C@@H]2CCCCN2Cc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019695830 556852746 /nfs/dbraw/zinc/85/27/46/556852746.db2.gz PGHCZNXMYBFCFO-QHCPKHFHSA-N 0 0 427.552 4.387 40 0 IIABRN Cc1nnc2n1C[C@H](c1cccc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c1)CC2 ZINC000019698147 556856257 /nfs/dbraw/zinc/85/62/57/556856257.db2.gz IEABJPFKODYILB-HXUWFJFHSA-N 0 0 434.515 4.139 40 0 IIABRN O=C(c1ccncc1)N1CCC[C@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000019703606 556861760 /nfs/dbraw/zinc/86/17/60/556861760.db2.gz NLHRXPNONWXWGF-FQEVSTJZSA-N 0 0 430.430 4.422 40 0 IIABRN Cc1ccn2cc(C(=O)N3CCCC[C@@H]3c3nc(C)c4c(n3)N(CC3CC3)CCC4)nc2c1 ZINC000019706102 556863839 /nfs/dbraw/zinc/86/38/39/556863839.db2.gz FZBKMRFZCLYNDD-JOCHJYFZSA-N 0 0 444.583 4.271 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706745 556865176 /nfs/dbraw/zinc/86/51/76/556865176.db2.gz WGAMPJPKJXWGCK-JOCHJYFZSA-N 0 0 441.579 4.195 40 0 IIABRN CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000019707415 556867273 /nfs/dbraw/zinc/86/72/73/556867273.db2.gz QLZVHWPGPKUEQT-DEOSSOPVSA-N 0 0 449.599 4.081 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019740740 556881366 /nfs/dbraw/zinc/88/13/66/556881366.db2.gz RFDWPNGIBWWCQF-JOCHJYFZSA-N 0 0 441.535 4.027 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)Cc2ccccc2F)nc2c1CCC(=O)N2CCC(C)C ZINC000019740704 556881455 /nfs/dbraw/zinc/88/14/55/556881455.db2.gz MRMXPEODUPBXPG-OAQYLSRUSA-N 0 0 438.547 4.156 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000408906849 556884649 /nfs/dbraw/zinc/88/46/49/556884649.db2.gz JCXRMCIRSCSZMI-UHFFFAOYSA-N 0 0 428.941 4.236 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2CCC(C)C ZINC000019742090 556885606 /nfs/dbraw/zinc/88/56/06/556885606.db2.gz SBTJFGBXTGSKFW-QFIPXVFZSA-N 0 0 449.599 4.192 40 0 IIABRN CCOCc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)C2)cc1 ZINC000019742167 556885870 /nfs/dbraw/zinc/88/58/70/556885870.db2.gz CTSISQUVULCKJR-OAHLLOKOSA-N 0 0 447.461 4.115 40 0 IIABRN CCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br ZINC000408903814 556886050 /nfs/dbraw/zinc/88/60/50/556886050.db2.gz ZUWCJTBZWSALBL-DHDCSXOGSA-N 0 0 435.730 4.272 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019743147 556887432 /nfs/dbraw/zinc/88/74/32/556887432.db2.gz GQVKQIWTNYKXTN-NRFANRHFSA-N 0 0 433.556 4.017 40 0 IIABRN CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c1 ZINC000408917766 556888932 /nfs/dbraw/zinc/88/89/32/556888932.db2.gz AYHRCJVTPAFBCD-QQNJPBSNSA-N 0 0 443.886 4.359 40 0 IIABRN FC(F)(F)Oc1ccc(Cn2nc(Br)nc2Br)cc1Cl ZINC000071978805 556889767 /nfs/dbraw/zinc/88/97/67/556889767.db2.gz REFZMDNDDYRKKD-UHFFFAOYSA-N 0 0 435.425 4.403 40 0 IIABRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N(C)c3ccccc3)c2)c1 ZINC000019749252 556893384 /nfs/dbraw/zinc/89/33/84/556893384.db2.gz IMNKHMWXNXWXSZ-DEOSSOPVSA-N 0 0 443.547 4.105 40 0 IIABRN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N(C)c3ccccc3)c2)c1 ZINC000019749251 556893426 /nfs/dbraw/zinc/89/34/26/556893426.db2.gz IMNKHMWXNXWXSZ-XMMPIXPASA-N 0 0 443.547 4.105 40 0 IIABRN COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2Cc2ccc(F)cc2)nc1C ZINC000019755278 556898685 /nfs/dbraw/zinc/89/86/85/556898685.db2.gz NAHMCOWSOFXRGZ-JOCHJYFZSA-N 0 0 434.515 4.200 40 0 IIABRN O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000408954984 556899088 /nfs/dbraw/zinc/89/90/88/556899088.db2.gz NZYABCJGVSWIPV-BZNIZROVSA-N 0 0 425.234 4.402 40 0 IIABRN COc1ccccc1OCC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)n2)CC1 ZINC000019758384 556902116 /nfs/dbraw/zinc/90/21/16/556902116.db2.gz XRIVUZIUCJVDEW-UHFFFAOYSA-N 0 0 438.572 4.008 40 0 IIABRN Cc1cc(CN2CCCCC2)oc1C(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000072324292 556902491 /nfs/dbraw/zinc/90/24/91/556902491.db2.gz NETNAEMXMSXEKM-IBGZPJMESA-N 0 0 438.524 4.038 40 0 IIABRN O=C1N[C@@]2(COC3(C2)CCN(Cc2ccc(Cl)c(Cl)c2)CC3)Nc2ccccc21 ZINC000072325411 556902618 /nfs/dbraw/zinc/90/26/18/556902618.db2.gz SNCATRURHANVKC-QFIPXVFZSA-N 0 0 432.351 4.300 40 0 IIABRN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(C(=O)CCc1ccco1)CC3)c1cccn1-2 ZINC000072327310 556903982 /nfs/dbraw/zinc/90/39/82/556903982.db2.gz MEDHHUXVLOTUPG-SANMLTNESA-N 0 0 447.535 4.114 40 0 IIABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 ZINC000408970618 556904413 /nfs/dbraw/zinc/90/44/13/556904413.db2.gz JIIGVKUDWNTXAT-UHFFFAOYSA-N 0 0 441.380 4.197 40 0 IIABRN Cc1ncsc1C(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019761193 556904419 /nfs/dbraw/zinc/90/44/19/556904419.db2.gz OHXLLWDXAVQEAR-AWEZNQCLSA-N 0 0 449.561 4.338 40 0 IIABRN CC(C)Oc1ccccc1CN1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019762885 556907833 /nfs/dbraw/zinc/90/78/33/556907833.db2.gz YZUVUTRHMQFFRD-VWLOTQADSA-N 0 0 433.552 4.297 40 0 IIABRN CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)N=C(SCC(=O)Nc2ccccc2)N1 ZINC000408986508 556909606 /nfs/dbraw/zinc/90/96/06/556909606.db2.gz CQYIVXVQTDDCAP-GOSISDBHSA-N 0 0 449.363 4.125 40 0 IIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)cc(C(F)(F)F)n2n1 ZINC000072340924 556913056 /nfs/dbraw/zinc/91/30/56/556913056.db2.gz YPLCICDBQYDYMK-OAHLLOKOSA-N 0 0 441.457 4.487 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000409003417 556916945 /nfs/dbraw/zinc/91/69/45/556916945.db2.gz FWFAKNCBGCNCMS-UHFFFAOYSA-N 0 0 429.369 4.017 40 0 IIABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072346030 556917320 /nfs/dbraw/zinc/91/73/20/556917320.db2.gz POVMANHRNCXIPL-MRXNPFEDSA-N 0 0 427.430 4.159 40 0 IIABRN COc1cc([C@@H]2CC(=O)c3cn4nc(-c5ccc(C)cc5)nc4nc3C2)cc(OC)c1OC ZINC000019816666 556919699 /nfs/dbraw/zinc/91/96/99/556919699.db2.gz PFELGKFJIRFDPY-INIZCTEOSA-N 0 0 444.491 4.038 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350032 556919995 /nfs/dbraw/zinc/91/99/95/556919995.db2.gz MSGOWMJGVCYINT-HXUWFJFHSA-N 0 0 425.960 4.367 40 0 IIABRN O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350419 556920649 /nfs/dbraw/zinc/92/06/49/556920649.db2.gz JQLUBRQNNIEYBM-HNNXBMFYSA-N 0 0 436.459 4.059 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccccc1OC ZINC000019818204 556920736 /nfs/dbraw/zinc/92/07/36/556920736.db2.gz 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COc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ccc(Nc3ncccn3)cn2)cc1 ZINC000072353172 556925737 /nfs/dbraw/zinc/92/57/37/556925737.db2.gz YNNXIMLGTBZZDD-OAQYLSRUSA-N 0 0 433.512 4.145 40 0 IIABRN Cc1cccc(Nc2ccc([C@H]3CCCN(C(=O)CCc4nnc(C(C)C)o4)C3)nc2)n1 ZINC000072353499 556927115 /nfs/dbraw/zinc/92/71/15/556927115.db2.gz XKZMIEYDEWWZOY-SFHVURJKSA-N 0 0 434.544 4.374 40 0 IIABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3cnc(N)nc3C)C2)n1 ZINC000072354050 556928822 /nfs/dbraw/zinc/92/88/22/556928822.db2.gz GISZYMFOIBBAFE-LJQANCHMSA-N 0 0 435.959 4.335 40 0 IIABRN COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(Br)cc1OCc1ccccc1 ZINC000409043773 556929748 /nfs/dbraw/zinc/92/97/48/556929748.db2.gz ZMKMUQRMACRWAK-SXGWCWSVSA-N 0 0 447.354 4.066 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860728 556933211 /nfs/dbraw/zinc/93/32/11/556933211.db2.gz PUGJTJSKVLXGKZ-HNNXBMFYSA-N 0 0 427.353 4.174 40 0 IIABRN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000072370273 556934242 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/nfs/dbraw/zinc/34/11/23/557341123.db2.gz BWCGFRGTGFKZPQ-UHFFFAOYSA-N 0 0 425.535 4.447 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000222479716 557342299 /nfs/dbraw/zinc/34/22/99/557342299.db2.gz YTIHBMMAVCVNGY-OFNKIYASSA-N 0 0 440.584 4.413 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 ZINC000222479982 557342410 /nfs/dbraw/zinc/34/24/10/557342410.db2.gz WTNJEFHXPQQHIN-DVECYGJZSA-N 0 0 440.584 4.359 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222490597 557343138 /nfs/dbraw/zinc/34/31/38/557343138.db2.gz SOPGUGCSKDJWMP-HSZRJFAPSA-N 0 0 438.930 4.408 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(Cl)cc1 ZINC000222491746 557343169 /nfs/dbraw/zinc/34/31/69/557343169.db2.gz UNNVVBGENXIQKA-CQSZACIVSA-N 0 0 425.381 4.390 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000222492775 557343441 /nfs/dbraw/zinc/34/34/41/557343441.db2.gz LFGDUCWNKXVRDT-VGOFRKELSA-N 0 0 446.975 4.450 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000222494062 557343688 /nfs/dbraw/zinc/34/36/88/557343688.db2.gz BLHVWGFIJPQZTK-AUSIDOKSSA-N 0 0 440.584 4.413 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C ZINC000222494373 557344063 /nfs/dbraw/zinc/34/40/63/557344063.db2.gz BDTIMKIRDKXHSA-NZQKXSOJSA-N 0 0 440.584 4.413 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CC(C)(C)c3ccccc3)CC2)cc1 ZINC000109209700 557344795 /nfs/dbraw/zinc/34/47/95/557344795.db2.gz VGLKNODGMXLEOF-FQEVSTJZSA-N 0 0 442.625 4.268 40 0 IIABRN CCC(=O)Nc1cc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)ccc1OC ZINC000013566610 557345222 /nfs/dbraw/zinc/34/52/22/557345222.db2.gz HQRHWYBXWIYVTM-LFVRLGFBSA-N 0 0 440.569 4.379 40 0 IIABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222503081 557345370 /nfs/dbraw/zinc/34/53/70/557345370.db2.gz BJCQKRITVZEDSX-MRXNPFEDSA-N 0 0 449.331 4.324 40 0 IIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222505465 557345634 /nfs/dbraw/zinc/34/56/34/557345634.db2.gz IFIQVCWNKAHXSY-SFHVURJKSA-N 0 0 436.961 4.076 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000222537672 557348346 /nfs/dbraw/zinc/34/83/46/557348346.db2.gz BPDRRCAYYBEFHX-UTKZUKDTSA-N 0 0 446.975 4.450 40 0 IIABRN CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(OC)cc1 ZINC000222538029 557348427 /nfs/dbraw/zinc/34/84/27/557348427.db2.gz HLGQAMWNBVNPTO-HSZRJFAPSA-N 0 0 438.549 4.401 40 0 IIABRN CCN(c1ccc(OCC(=O)NCCC2=CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584878 557349567 /nfs/dbraw/zinc/34/95/67/557349567.db2.gz MYJLLBFCOGJFRR-UHFFFAOYSA-N 0 0 442.581 4.287 40 0 IIABRN CCN(c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584933 557349799 /nfs/dbraw/zinc/34/97/99/557349799.db2.gz DJHWWEUKFNFEEB-UHFFFAOYSA-N 0 0 428.485 4.058 40 0 IIABRN c1ccc(CCn2nnnc2[C@H](c2ccncc2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013561761 557352341 /nfs/dbraw/zinc/35/23/41/557352341.db2.gz JDHKGWFHDJHARU-SANMLTNESA-N 0 0 438.579 4.355 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000222561383 557352330 /nfs/dbraw/zinc/35/23/30/557352330.db2.gz ACGMELOXGPEOPU-XMSQKQJNSA-N 0 0 430.976 4.483 40 0 IIABRN Cc1cc(C)cc(N(CCCC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000222572589 557354210 /nfs/dbraw/zinc/35/42/10/557354210.db2.gz WOGAFKBXVAFYBK-UHFFFAOYSA-N 0 0 437.005 4.252 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000222574698 557354710 /nfs/dbraw/zinc/35/47/10/557354710.db2.gz JNAZQZQMADEYAV-VWLOTQADSA-N 0 0 448.538 4.207 40 0 IIABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000222576820 557354979 /nfs/dbraw/zinc/35/49/79/557354979.db2.gz BMLCQEYGCXVQGO-HXUWFJFHSA-N 0 0 442.581 4.266 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222576554 557355011 /nfs/dbraw/zinc/35/50/11/557355011.db2.gz GGAQKLAZWYALGV-VWLOTQADSA-N 0 0 432.539 4.371 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)ccc1C ZINC000222579102 557355504 /nfs/dbraw/zinc/35/55/04/557355504.db2.gz KBKUUEKPTLPLGP-DEOSSOPVSA-N 0 0 448.538 4.207 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585909 557356075 /nfs/dbraw/zinc/35/60/75/557356075.db2.gz TUQRMDQEGNQCHE-UHFFFAOYSA-N 0 0 432.567 4.266 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000222589655 557357080 /nfs/dbraw/zinc/35/70/80/557357080.db2.gz OGOOIGJRPQAASE-QFIPXVFZSA-N 0 0 430.570 4.142 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000222589591 557357117 /nfs/dbraw/zinc/35/71/17/557357117.db2.gz OGOOIGJRPQAASE-JOCHJYFZSA-N 0 0 430.570 4.142 40 0 IIABRN COC(=O)c1cn(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc12 ZINC000222593579 557357808 /nfs/dbraw/zinc/35/78/08/557357808.db2.gz PWUMBJZCQJUUOK-UHFFFAOYSA-N 0 0 448.500 4.226 40 0 IIABRN CC[C@@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000222596771 557358587 /nfs/dbraw/zinc/35/85/87/557358587.db2.gz MOWOEBICJQEEAK-JOCHJYFZSA-N 0 0 432.586 4.126 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222600314 557359443 /nfs/dbraw/zinc/35/94/43/557359443.db2.gz CMZHWTABRGAOIH-HXUWFJFHSA-N 0 0 444.959 4.333 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCCC2)cc1OC ZINC000222613180 557361838 /nfs/dbraw/zinc/36/18/38/557361838.db2.gz WVZDERMROCJXSR-CYVLTUHYSA-N 0 0 428.554 4.375 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222617818 557362607 /nfs/dbraw/zinc/36/26/07/557362607.db2.gz LBXQWVMOLGFWBI-SIKLNZKXSA-N 0 0 438.568 4.113 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)N1CCCc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000222626163 557364646 /nfs/dbraw/zinc/36/46/46/557364646.db2.gz XFWIRQWVHPTARZ-UHFFFAOYSA-N 0 0 440.487 4.231 40 0 IIABRN Cc1cccc(N(CCCC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1C ZINC000222627262 557365026 /nfs/dbraw/zinc/36/50/26/557365026.db2.gz BISLPOQWMGHSEC-UHFFFAOYSA-N 0 0 439.375 4.251 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222670364 557371347 /nfs/dbraw/zinc/37/13/47/557371347.db2.gz CJTUNTHQCRAKGU-ZDUSSCGKSA-N 0 0 443.758 4.497 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000222680284 557373154 /nfs/dbraw/zinc/37/31/54/557373154.db2.gz GHDOPGGQOJQXAH-LBPRGKRZSA-N 0 0 429.731 4.189 40 0 IIABRN Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000222700779 557375817 /nfs/dbraw/zinc/37/58/17/557375817.db2.gz IJIWWKQIZNYXOY-UHFFFAOYSA-N 0 0 444.940 4.144 40 0 IIABRN CN(C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000222702489 557376318 /nfs/dbraw/zinc/37/63/18/557376318.db2.gz PGLQBKUJVVKWSQ-UHFFFAOYSA-N 0 0 430.913 4.183 40 0 IIABRN Cc1ccccc1CN(C(=O)CCc1ccc2c(c1)OCCO2)[C@H](C)C(=O)NC(C)(C)C ZINC000222707854 557377018 /nfs/dbraw/zinc/37/70/18/557377018.db2.gz QAACYXAMRDFJLX-LJQANCHMSA-N 0 0 438.568 4.031 40 0 IIABRN O=C(NCc1ccco1)/C(=C\c1ccc(Br)cc1)NC(=O)c1cccs1 ZINC000013615078 557377573 /nfs/dbraw/zinc/37/75/73/557377573.db2.gz GLBVYFRJLQQWMQ-LFIBNONCSA-N 0 0 431.311 4.191 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072346053 557378507 /nfs/dbraw/zinc/37/85/07/557378507.db2.gz DSCIWVVMIFWBAB-LJQANCHMSA-N 0 0 434.515 4.212 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000222719190 557378823 /nfs/dbraw/zinc/37/88/23/557378823.db2.gz SHLIJBXCGWCCKA-INIZCTEOSA-N 0 0 437.367 4.461 40 0 IIABRN COc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1Cl ZINC000113939451 557379650 /nfs/dbraw/zinc/37/96/50/557379650.db2.gz YERWGCIPNSLHII-MRXNPFEDSA-N 0 0 438.977 4.081 40 0 IIABRN Cc1cccc(CSCC(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000222747243 557382406 /nfs/dbraw/zinc/38/24/06/557382406.db2.gz LLURJPPQOXCPQE-UHFFFAOYSA-N 0 0 432.343 4.357 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2Cl)cc1)c1ccccc1F ZINC000113963328 557382695 /nfs/dbraw/zinc/38/26/95/557382695.db2.gz GDCSISXJMFLUPH-UHFFFAOYSA-N 0 0 446.931 4.375 40 0 IIABRN COc1cccc(NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000113963777 557382998 /nfs/dbraw/zinc/38/29/98/557382998.db2.gz VKDAOZYZPQIFCE-UHFFFAOYSA-N 0 0 428.485 4.053 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000113966701 557384102 /nfs/dbraw/zinc/38/41/02/557384102.db2.gz SJGNVEMUJPFBEV-QFIPXVFZSA-N 0 0 432.586 4.126 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc2ccccc2c1 ZINC000222769214 557384777 /nfs/dbraw/zinc/38/47/77/557384777.db2.gz BULQWQVLEJLYBB-UHFFFAOYSA-N 0 0 448.519 4.491 40 0 IIABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222771575 557385074 /nfs/dbraw/zinc/38/50/74/557385074.db2.gz RXSJBZVEPVJLQY-IBGZPJMESA-N 0 0 430.976 4.231 40 0 IIABRN O=C(NCc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000222774920 557385635 /nfs/dbraw/zinc/38/56/35/557385635.db2.gz HRZLLYLGSJIIJE-UHFFFAOYSA-N 0 0 428.941 4.208 40 0 IIABRN COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc3[nH]ccc3c2)CCO1 ZINC000072356249 557387760 /nfs/dbraw/zinc/38/77/60/557387760.db2.gz SCILUVYHWZCRNN-OAQYLSRUSA-N 0 0 449.576 4.332 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N(C)c1ccccc1 ZINC000222801916 557388180 /nfs/dbraw/zinc/38/81/80/557388180.db2.gz ICVFYZGIOMJQTN-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN COc1ccc(NC(=O)CN2CCCC[C@H]2c2nc(N)ncc2-c2cccc(F)c2)cc1 ZINC000072376846 557388644 /nfs/dbraw/zinc/38/86/44/557388644.db2.gz BGIJRNXWFYIQFV-NRFANRHFSA-N 0 0 435.503 4.039 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(OC)c2)cc1 ZINC000072377030 557388992 /nfs/dbraw/zinc/38/89/92/557388992.db2.gz BSJJBPMMEDDPTE-QFIPXVFZSA-N 0 0 432.524 4.039 40 0 IIABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222824664 557390793 /nfs/dbraw/zinc/39/07/93/557390793.db2.gz MWJHWTNHQRQSQG-MRXNPFEDSA-N 0 0 432.948 4.059 40 0 IIABRN CCOCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222844249 557392925 /nfs/dbraw/zinc/39/29/25/557392925.db2.gz SMSMDBHQXXLYHY-IBGZPJMESA-N 0 0 430.976 4.233 40 0 IIABRN C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222843881 557392952 /nfs/dbraw/zinc/39/29/52/557392952.db2.gz LNFNGPYWXUUOAY-IBGZPJMESA-N 0 0 435.955 4.401 40 0 IIABRN COc1ccccc1OC[C@@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222845960 557393119 /nfs/dbraw/zinc/39/31/19/557393119.db2.gz SHTHHGWUPGZVJI-MNTXUITRSA-N 0 0 436.533 4.111 40 0 IIABRN Cc1cccc(CNC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c1 ZINC000222856162 557395055 /nfs/dbraw/zinc/39/50/55/557395055.db2.gz YDNSBRWKSKAGMK-HXUWFJFHSA-N 0 0 436.577 4.284 40 0 IIABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000222875640 557396698 /nfs/dbraw/zinc/39/66/98/557396698.db2.gz MUCPVWMZPJOFML-OAHLLOKOSA-N 0 0 439.408 4.432 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222882336 557397743 /nfs/dbraw/zinc/39/77/43/557397743.db2.gz DOWFQHBYFRWFOI-HSZRJFAPSA-N 0 0 426.557 4.023 40 0 IIABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222886408 557398176 /nfs/dbraw/zinc/39/81/76/557398176.db2.gz ZLLSMHJYOBSBAX-SFHVURJKSA-N 0 0 444.547 4.109 40 0 IIABRN COc1cc(OC)c([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC ZINC000013995234 557401480 /nfs/dbraw/zinc/40/14/80/557401480.db2.gz WDTPNVWISUOXGW-QKKBWIMNSA-N 0 0 439.537 4.370 40 0 IIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000013995445 557401922 /nfs/dbraw/zinc/40/19/22/557401922.db2.gz BABNQVHHZMFJMH-SZNDQCEHSA-N 0 0 439.537 4.370 40 0 IIABRN COC(=O)c1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(OC)cc2)cc1 ZINC000013995487 557401977 /nfs/dbraw/zinc/40/19/77/557401977.db2.gz IIVZEUXSSSUIND-VBKZILBWSA-N 0 0 437.521 4.139 40 0 IIABRN CC(C)c1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000222917935 557402272 /nfs/dbraw/zinc/40/22/72/557402272.db2.gz GEJGTCGZFOIYMG-SFHVURJKSA-N 0 0 428.598 4.332 40 0 IIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc32)cc1 ZINC000222931873 557404758 /nfs/dbraw/zinc/40/47/58/557404758.db2.gz TZUOXFHOCCZZNR-UHFFFAOYSA-N 0 0 432.476 4.168 40 0 IIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000222939560 557406082 /nfs/dbraw/zinc/40/60/82/557406082.db2.gz NCYXWKIGCJHKJB-UHFFFAOYSA-N 0 0 446.503 4.097 40 0 IIABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1 ZINC000222945257 557406970 /nfs/dbraw/zinc/40/69/70/557406970.db2.gz KJMSYHFPQHPVKW-YADHBBJMSA-N 0 0 434.565 4.287 40 0 IIABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 ZINC000222945462 557406988 /nfs/dbraw/zinc/40/69/88/557406988.db2.gz QLWARLXHALIAIR-FGZHOGPDSA-N 0 0 434.565 4.287 40 0 IIABRN O=C(COc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000222951006 557407481 /nfs/dbraw/zinc/40/74/81/557407481.db2.gz BEPPQMYZKIGIGC-UHFFFAOYSA-N 0 0 442.924 4.109 40 0 IIABRN COc1ccc(Cl)cc1C(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222953063 557407691 /nfs/dbraw/zinc/40/76/91/557407691.db2.gz UUTUWSUIDKYKAJ-JOCHJYFZSA-N 0 0 436.895 4.073 40 0 IIABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222989284 557412871 /nfs/dbraw/zinc/41/28/71/557412871.db2.gz VREGDCLFFGJVSN-OAQYLSRUSA-N 0 0 430.548 4.014 40 0 IIABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000222992282 557413092 /nfs/dbraw/zinc/41/30/92/557413092.db2.gz MFKTXIACSRZPAZ-NRFANRHFSA-N 0 0 430.548 4.362 40 0 IIABRN CCCOc1ccc(-c2nc3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n3n2)cc1 ZINC000034387292 557414427 /nfs/dbraw/zinc/41/44/27/557414427.db2.gz SGWFGIFTSVHKFR-LICLKQGHSA-N 0 0 432.332 4.461 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC ZINC000223027498 557417322 /nfs/dbraw/zinc/41/73/22/557417322.db2.gz ZFIAULNQAFXTTL-IRXDYDNUSA-N 0 0 432.948 4.059 40 0 IIABRN COc1ccccc1O[C@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014009349 557418101 /nfs/dbraw/zinc/41/81/01/557418101.db2.gz ZQRKJSORYHVKAZ-OAQYLSRUSA-N 0 0 430.548 4.396 40 0 IIABRN CCOc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)cc1 ZINC000014117179 557420491 /nfs/dbraw/zinc/42/04/91/557420491.db2.gz LRJMDEUQNSIQQA-UHFFFAOYSA-N 0 0 426.542 4.140 40 0 IIABRN CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1 ZINC000223050815 557421457 /nfs/dbraw/zinc/42/14/57/557421457.db2.gz BSNKECZCYDGKNI-VWLOTQADSA-N 0 0 430.548 4.362 40 0 IIABRN CCC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000014135605 557422926 /nfs/dbraw/zinc/42/29/26/557422926.db2.gz UUNKWNSZDGCBMX-OAHLLOKOSA-N 0 0 445.423 4.077 40 0 IIABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223062427 557424021 /nfs/dbraw/zinc/42/40/21/557424021.db2.gz QXEZOOGZRJMHIO-AREMUKBSSA-N 0 0 444.575 4.022 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223064307 557424465 /nfs/dbraw/zinc/42/44/65/557424465.db2.gz YNFYYAANNGPZEG-QGZVFWFLSA-N 0 0 431.374 4.244 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)c(Cl)c1 ZINC000014154959 557426718 /nfs/dbraw/zinc/42/67/18/557426718.db2.gz KWKVVDYBRNWDBK-UHFFFAOYSA-N 0 0 425.696 4.191 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccccc3)cc2)cc1 ZINC000014155359 557426731 /nfs/dbraw/zinc/42/67/31/557426731.db2.gz MERVNHGSKCRNKV-UHFFFAOYSA-N 0 0 440.590 4.459 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223077712 557427171 /nfs/dbraw/zinc/42/71/71/557427171.db2.gz PUIFCOALGLZTJP-NRFANRHFSA-N 0 0 440.584 4.496 40 0 IIABRN COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000014155642 557427400 /nfs/dbraw/zinc/42/74/00/557427400.db2.gz GOKVKXPANHXEMU-UHFFFAOYSA-N 0 0 438.549 4.085 40 0 IIABRN COc1ccc(CCNC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000223078973 557427505 /nfs/dbraw/zinc/42/75/05/557427505.db2.gz TUYYTJBTFBPEHY-UHFFFAOYSA-N 0 0 432.495 4.400 40 0 IIABRN COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000014155896 557427788 /nfs/dbraw/zinc/42/77/88/557427788.db2.gz LVMGSYVEUHQPSN-UHFFFAOYSA-N 0 0 438.549 4.085 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223082606 557428220 /nfs/dbraw/zinc/42/82/20/557428220.db2.gz JZQNCDYRIUPSTP-QGZVFWFLSA-N 0 0 431.374 4.162 40 0 IIABRN C[C@H]1Cc2cc(Br)cc3c2n1cc(C(=O)NCc1ccccc1Cl)c3=O ZINC000223103234 557431572 /nfs/dbraw/zinc/43/15/72/557431572.db2.gz OQZGECUEMBQKBF-NSHDSACASA-N 0 0 431.717 4.465 40 0 IIABRN CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223111200 557433071 /nfs/dbraw/zinc/43/30/71/557433071.db2.gz XAZKOQNDVJGMAL-DEOSSOPVSA-N 0 0 440.609 4.372 40 0 IIABRN CC[C@H](NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223113475 557433246 /nfs/dbraw/zinc/43/32/46/557433246.db2.gz CHCCQPMYKSPPRM-QFIPXVFZSA-N 0 0 446.638 4.321 40 0 IIABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc(F)cc1 ZINC000223124402 557435046 /nfs/dbraw/zinc/43/50/46/557435046.db2.gz UFCQJNTYGLYDFB-SFHVURJKSA-N 0 0 430.589 4.433 40 0 IIABRN COc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000223125223 557435297 /nfs/dbraw/zinc/43/52/97/557435297.db2.gz KLJGVKCMUZKYMA-LJQANCHMSA-N 0 0 440.584 4.011 40 0 IIABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000014398753 557436266 /nfs/dbraw/zinc/43/62/66/557436266.db2.gz DUARKSASXMVXAO-UHFFFAOYSA-N 0 0 425.381 4.493 40 0 IIABRN CC(=O)c1cccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000014398853 557436286 /nfs/dbraw/zinc/43/62/86/557436286.db2.gz IFQJBIVLUDRENH-UHFFFAOYSA-N 0 0 443.352 4.381 40 0 IIABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223132893 557436667 /nfs/dbraw/zinc/43/66/67/557436667.db2.gz NLLYOVWQOQWDSU-XZOQPEGZSA-N 0 0 442.987 4.231 40 0 IIABRN CC[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223137165 557437515 /nfs/dbraw/zinc/43/75/15/557437515.db2.gz UFHUZCJUUGSDKH-QFIPXVFZSA-N 0 0 449.016 4.248 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223143931 557438493 /nfs/dbraw/zinc/43/84/93/557438493.db2.gz FHTZBNPGZUJPBS-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 ZINC000223156080 557439722 /nfs/dbraw/zinc/43/97/22/557439722.db2.gz KBHXAWMBSFRSRP-QGZVFWFLSA-N 0 0 446.638 4.249 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223153968 557439726 /nfs/dbraw/zinc/43/97/26/557439726.db2.gz BLWTYYCDNIJEOA-HXUWFJFHSA-N 0 0 434.989 4.135 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000223157399 557439997 /nfs/dbraw/zinc/43/99/97/557439997.db2.gz PEFDWMJGDMSWOT-QGZVFWFLSA-N 0 0 449.016 4.322 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 ZINC000223169151 557440960 /nfs/dbraw/zinc/44/09/60/557440960.db2.gz HPUFYGPMDUIZSY-AREMUKBSSA-N 0 0 444.575 4.322 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1OC ZINC000223179706 557442192 /nfs/dbraw/zinc/44/21/92/557442192.db2.gz NIXILGZMHSJNJT-HXUWFJFHSA-N 0 0 426.557 4.105 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000223194359 557444399 /nfs/dbraw/zinc/44/43/99/557444399.db2.gz IVAKINOFYGKXAJ-IBGZPJMESA-N 0 0 440.609 4.395 40 0 IIABRN COc1cccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccccc2)c1 ZINC000014412437 557444854 /nfs/dbraw/zinc/44/48/54/557444854.db2.gz HLFWBFDHZDLINN-UHFFFAOYSA-N 0 0 442.562 4.251 40 0 IIABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223208511 557446177 /nfs/dbraw/zinc/44/61/77/557446177.db2.gz HBXPVSZQJLFZMV-MRXNPFEDSA-N 0 0 447.000 4.107 40 0 IIABRN CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014666309 557449064 /nfs/dbraw/zinc/44/90/64/557449064.db2.gz AQOVBVPQLIRYQE-UHFFFAOYSA-N 0 0 430.570 4.176 40 0 IIABRN CSc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026119142 557450259 /nfs/dbraw/zinc/45/02/59/557450259.db2.gz PTSLKCWXQHKXHH-UHFFFAOYSA-N 0 0 440.537 4.360 40 0 IIABRN Cc1cccc(N(CCCC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1C ZINC000223253384 557451237 /nfs/dbraw/zinc/45/12/37/557451237.db2.gz BZWTWCKSDIRLIA-UHFFFAOYSA-N 0 0 444.582 4.007 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F ZINC000223257886 557451793 /nfs/dbraw/zinc/45/17/93/557451793.db2.gz ISZFQRPSKFOOLM-CVEARBPZSA-N 0 0 449.364 4.463 40 0 IIABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000014739588 557451879 /nfs/dbraw/zinc/45/18/79/557451879.db2.gz SBKXEZXWMBZTPM-UHFFFAOYSA-N 0 0 436.961 4.045 40 0 IIABRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21 ZINC000223263528 557452527 /nfs/dbraw/zinc/45/25/27/557452527.db2.gz IONPWIRTLKDTLJ-UHFFFAOYSA-N 0 0 426.925 4.021 40 0 IIABRN C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2N1C(=O)c1ccccc1 ZINC000223266722 557453208 /nfs/dbraw/zinc/45/32/08/557453208.db2.gz JORYWDODAJRJFC-MRXNPFEDSA-N 0 0 440.952 4.410 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000223267531 557453331 /nfs/dbraw/zinc/45/33/31/557453331.db2.gz JZHGWJUMHOLIKT-AREMUKBSSA-N 0 0 444.575 4.458 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000223267387 557453398 /nfs/dbraw/zinc/45/33/98/557453398.db2.gz XDMMYQUGYYTVQC-AREMUKBSSA-N 0 0 444.575 4.458 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223288309 557456250 /nfs/dbraw/zinc/45/62/50/557456250.db2.gz GQGOQKYFPGXTIC-IBGZPJMESA-N 0 0 446.613 4.387 40 0 IIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1Cc1ccncc1 ZINC000223298576 557456725 /nfs/dbraw/zinc/45/67/25/557456725.db2.gz YIMFIEURAWDSDS-TUACAJSNSA-N 0 0 447.608 4.095 40 0 IIABRN COc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000102735629 557458151 /nfs/dbraw/zinc/45/81/51/557458151.db2.gz PUCZXUVHKHVZFL-TZRRMPRUSA-N 0 0 444.487 4.063 40 0 IIABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1S(=O)(=O)N1CCCCCC1 ZINC000015306162 557460807 /nfs/dbraw/zinc/46/08/07/557460807.db2.gz QXEAOXMSVWDTQJ-UHFFFAOYSA-N 0 0 434.583 4.234 40 0 IIABRN Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000015351349 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ZINC000223004235 568626495 /nfs/dbraw/zinc/62/64/95/568626495.db2.gz SWOCKBRAHQHKDW-UHFFFAOYSA-N 0 0 430.614 4.291 40 0 IIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223199216 568626669 /nfs/dbraw/zinc/62/66/69/568626669.db2.gz CUFRZTDNLDOPSS-XMMPIXPASA-N 0 0 433.527 4.277 40 0 IIABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(C)c(C)c1 ZINC000260903805 568628813 /nfs/dbraw/zinc/62/88/13/568628813.db2.gz QJGNKSQXQILWSU-GMAHTHKFSA-N 0 0 428.598 4.280 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1Cl ZINC000260912018 568629270 /nfs/dbraw/zinc/62/92/70/568629270.db2.gz AFHZKQGDFRDNRR-CVEARBPZSA-N 0 0 434.989 4.169 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1C[C@H]1CCCO1 ZINC000260922749 568629795 /nfs/dbraw/zinc/62/97/95/568629795.db2.gz RLLAUQXSAJIPPF-HBGVWJBISA-N 0 0 439.972 4.072 40 0 IIABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 ZINC000260916325 568630175 /nfs/dbraw/zinc/63/01/75/568630175.db2.gz IOCQGPYMAKDOMW-WTIAFYNJSA-N 0 0 434.565 4.032 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000260945343 568631487 /nfs/dbraw/zinc/63/14/87/568631487.db2.gz ULQXSUPIAIOBRZ-MOPGFXCFSA-N 0 0 446.613 4.467 40 0 IIABRN CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000260953271 568631979 /nfs/dbraw/zinc/63/19/79/568631979.db2.gz ZTXYGEBEWSMKDN-RTBURBONSA-N 0 0 432.586 4.042 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)on1 ZINC000257201406 568665827 /nfs/dbraw/zinc/66/58/27/568665827.db2.gz AHOUBTXJONAJJV-KRWDZBQOSA-N 0 0 449.486 4.121 40 0 IIABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCC4(C[C@H](Oc5ccccc5F)CO4)CC3)c2)n1 ZINC000257206553 568668143 /nfs/dbraw/zinc/66/81/43/568668143.db2.gz BDZDVYIULVYTSI-QFIPXVFZSA-N 0 0 449.526 4.471 40 0 IIABRN CN(C)c1ccc(N2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)nn1 ZINC000257208423 568668895 /nfs/dbraw/zinc/66/88/95/568668895.db2.gz BMCHXJOZTPSRBO-HXUWFJFHSA-N 0 0 443.473 4.125 40 0 IIABRN Cc1cc(N2CCCC2)c(F)cc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO ZINC000257211066 568670008 /nfs/dbraw/zinc/67/00/08/568670008.db2.gz BXJMNSRJJQOISJ-WECLKUPWSA-N 0 0 444.591 4.115 40 0 IIABRN O=C(N1CCOC[C@H](Cc2cccc3cccnc32)C1)C1(c2ccccc2F)CCOCC1 ZINC000257216556 568672721 /nfs/dbraw/zinc/67/27/21/568672721.db2.gz CVALCKBJRAODGO-HXUWFJFHSA-N 0 0 448.538 4.140 40 0 IIABRN O=C(c1cncc(-c2cncnc2)c1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257218049 568673473 /nfs/dbraw/zinc/67/34/73/568673473.db2.gz DBQSYMTWWFXYEN-GOSISDBHSA-N 0 0 438.491 4.141 40 0 IIABRN O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257222136 568675270 /nfs/dbraw/zinc/67/52/70/568675270.db2.gz DSCCSPCUMSUZQA-VWLOTQADSA-N 0 0 443.547 4.256 40 0 IIABRN Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4n[nH]c5c4CCCC5)C3)c2)sc1C ZINC000257225810 568677090 /nfs/dbraw/zinc/67/70/90/568677090.db2.gz FHXDKCHVCFNLCL-MRXNPFEDSA-N 0 0 436.585 4.439 40 0 IIABRN O=C(c1n[nH]c2c1CCCCCC2)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257233748 568681036 /nfs/dbraw/zinc/68/10/36/568681036.db2.gz GQOCVFKSRNPJAN-XMMPIXPASA-N 0 0 448.542 4.407 40 0 IIABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000257234318 568681100 /nfs/dbraw/zinc/68/11/00/568681100.db2.gz GSZDUGDQNGTPJU-OAQYLSRUSA-N 0 0 438.421 4.021 40 0 IIABRN Cc1nc([C@H]2CCCN2Cc2ccc(O)cc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000257237180 568682454 /nfs/dbraw/zinc/68/24/54/568682454.db2.gz HFLZWVLXHKKJKY-HSZRJFAPSA-N 0 0 446.526 4.446 40 0 IIABRN Cc1cccc(C2(C(=O)N3CCOC[C@H](Cc4cccc5cccnc54)C3)CCOCC2)c1 ZINC000257237427 568682467 /nfs/dbraw/zinc/68/24/67/568682467.db2.gz HGKLQYQCIJLUFC-JOCHJYFZSA-N 0 0 444.575 4.309 40 0 IIABRN CN(CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1)Cc1ccccn1 ZINC000257248769 568687825 /nfs/dbraw/zinc/68/78/25/568687825.db2.gz JFCWWOJLVMOGOR-QFIPXVFZSA-N 0 0 438.959 4.499 40 0 IIABRN CCC(CC)C(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257249897 568688519 /nfs/dbraw/zinc/68/85/19/568688519.db2.gz JKEIEUHLSXIOFV-HXUWFJFHSA-N 0 0 428.621 4.227 40 0 IIABRN Cc1nnc(Nc2cccc([C@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)s1 ZINC000257250711 568688802 /nfs/dbraw/zinc/68/88/02/568688802.db2.gz JNSKUEGDEQACCK-GOSISDBHSA-N 0 0 443.960 4.171 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(Cc5ccccc5)cc(C)n4)C3)c2c1 ZINC000257252539 568689694 /nfs/dbraw/zinc/68/96/94/568689694.db2.gz JVDIRXVEVDLNCQ-XMMPIXPASA-N 0 0 426.520 4.379 40 0 IIABRN CCn1cc(-c2cc(C(=O)N3CCC[C@H](c4ncc(Cc5ccc(F)cc5)o4)C3)on2)cn1 ZINC000257253327 568690195 /nfs/dbraw/zinc/69/01/95/568690195.db2.gz JYLJKBFHTYSNOL-KRWDZBQOSA-N 0 0 449.486 4.296 40 0 IIABRN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000257255252 568691110 /nfs/dbraw/zinc/69/11/10/568691110.db2.gz KGUGDRAAXBLSNO-KRWDZBQOSA-N 0 0 430.533 4.076 40 0 IIABRN Cc1cc(OCC2(CC(N)=O)CCN(C(=O)c3ccccc3Cl)CC2)ccc1Cl ZINC000257262295 568694133 /nfs/dbraw/zinc/69/41/33/568694133.db2.gz LKWJPYDHCZSDQR-UHFFFAOYSA-N 0 0 435.351 4.479 40 0 IIABRN Cc1c(C(=O)NC[C@H]2CC[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)CC2)cnn1C ZINC000257269452 568697281 /nfs/dbraw/zinc/69/72/81/568697281.db2.gz MPYRQCBQAJUIBN-WGSAOQKQSA-N 0 0 447.583 4.119 40 0 IIABRN O=C(c1ccc2c(c1)CCC2)N1CCC2(CC1)C/C=C/Cc1ccccc1OCC(=O)NC2 ZINC000257269797 568697558 /nfs/dbraw/zinc/69/75/58/568697558.db2.gz MRJXOWZWVGFKEJ-ONEGZZNKSA-N 0 0 444.575 4.095 40 0 IIABRN Cc1cc(C(=O)N2CCC[C@H](Cc3ccc4ncccc4c3)C2)nc(N2CCCCC2)n1 ZINC000257273228 568699137 /nfs/dbraw/zinc/69/91/37/568699137.db2.gz NFTHSIXDYGOWKY-OAQYLSRUSA-N 0 0 429.568 4.418 40 0 IIABRN Cc1ccc(F)cc1NC(=O)CN1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1 ZINC000257274863 568699865 /nfs/dbraw/zinc/69/98/65/568699865.db2.gz NMYARKLTPWNWIB-LADGPHEKSA-N 0 0 432.511 4.142 40 0 IIABRN COc1cccc(OCCc2cc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)[nH]n2)c1 ZINC000257278355 568701378 /nfs/dbraw/zinc/70/13/78/568701378.db2.gz OBXWHAUYTUNBBW-SANMLTNESA-N 0 0 444.535 4.162 40 0 IIABRN Cc1nc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)nc2c1CC(=O)N2CC1CCCCC1 ZINC000257278422 568701409 /nfs/dbraw/zinc/70/14/09/568701409.db2.gz OCEXDTWOACVNES-JOCHJYFZSA-N 0 0 446.595 4.203 40 0 IIABRN COc1ccc2c(c1)C=C(CN1CCO[C@H](c3ccc(Nc4ccccn4)cn3)C1)CO2 ZINC000257280569 568702464 /nfs/dbraw/zinc/70/24/64/568702464.db2.gz OLKCILOBSVGQRW-DEOSSOPVSA-N 0 0 430.508 4.078 40 0 IIABRN NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCc2ccncc2)CC1 ZINC000257283992 568703932 /nfs/dbraw/zinc/70/39/32/568703932.db2.gz PAUJSWKNOPCQRO-UHFFFAOYSA-N 0 0 433.577 4.080 40 0 IIABRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257286989 568705276 /nfs/dbraw/zinc/70/52/76/568705276.db2.gz PNYPHTOAWRKINY-IQFIKXPYSA-N 0 0 444.572 4.066 40 0 IIABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCCC3)c2)nc1 ZINC000257296656 568709767 /nfs/dbraw/zinc/70/97/67/568709767.db2.gz RDTMRUYUUYVJIC-JOCHJYFZSA-N 0 0 440.975 4.339 40 0 IIABRN NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCCc2ccccn2)CC1 ZINC000257299840 568711030 /nfs/dbraw/zinc/71/10/30/568711030.db2.gz RRUPMUZUSCGESF-UHFFFAOYSA-N 0 0 447.604 4.470 40 0 IIABRN Cc1nc2cc([C@@H]3CCCCN3C(=O)C3CCC3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257304426 568713202 /nfs/dbraw/zinc/71/32/02/568713202.db2.gz SLPPUCJQAFSMID-NRFANRHFSA-N 0 0 439.604 4.047 40 0 IIABRN CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)C3CCCC3)nn2c1C ZINC000257304493 568713262 /nfs/dbraw/zinc/71/32/62/568713262.db2.gz SLXSKJCPGCIVAX-QFIPXVFZSA-N 0 0 439.604 4.049 40 0 IIABRN O=C(N1CC[C@@]2(CN(Cc3ccc(F)cc3)C(=O)O2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000257311996 568716330 /nfs/dbraw/zinc/71/63/30/568716330.db2.gz ULYOAHRAKQFJCO-DEOSSOPVSA-N 0 0 440.490 4.400 40 0 IIABRN CC(C)n1c(CN2CCO[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C2)nc2ccccc21 ZINC000257314141 568717407 /nfs/dbraw/zinc/71/74/07/568717407.db2.gz UVMRBQBJAYERNM-HSZRJFAPSA-N 0 0 428.540 4.230 40 0 IIABRN COCc1cccc(C(=O)N2CCC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@H]32)c1 ZINC000257314955 568717790 /nfs/dbraw/zinc/71/77/90/568717790.db2.gz UZGYJSQVEHUNDU-PRTQVNTJSA-N 0 0 437.536 4.461 40 0 IIABRN Cc1csc(Nc2cc(C)nc([C@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)c2)n1 ZINC000257321423 568720804 /nfs/dbraw/zinc/72/08/04/568720804.db2.gz WBPXNFYDBUJGIX-HXUWFJFHSA-N 0 0 448.552 4.068 40 0 IIABRN Cc1nc2cc(C(=O)N3CCC[C@@H](CC(=O)N(C)CCCc4ccccc4)C3)ccc2[nH]1 ZINC000257323151 568721246 /nfs/dbraw/zinc/72/12/46/568721246.db2.gz WIYNYLJKDHHXPJ-NRFANRHFSA-N 0 0 432.568 4.205 40 0 IIABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)n1 ZINC000257325672 568722539 /nfs/dbraw/zinc/72/25/39/568722539.db2.gz WTYIKVJMYWSGBE-SFHVURJKSA-N 0 0 442.494 4.452 40 0 IIABRN Cc1nc2cc([C@H]3CCCN3Cc3cccnc3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257329394 568724235 /nfs/dbraw/zinc/72/42/35/568724235.db2.gz XJUVPGFGSJHDKP-XMMPIXPASA-N 0 0 446.599 4.023 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(c3cccc(Nc4cccc(C)n4)n3)CC2)cc1 ZINC000257333218 568725812 /nfs/dbraw/zinc/72/58/12/568725812.db2.gz YARARVIFMIVBPK-UHFFFAOYSA-N 0 0 438.553 4.106 40 0 IIABRN C[C@@]1(NC(=O)CCO)C[C@H](c2ccc(Br)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000257333436 568725850 /nfs/dbraw/zinc/72/58/50/568725850.db2.gz YBNJLYWCJVLCJB-SVFBPWRDSA-N 0 0 436.321 4.438 40 0 IIABRN Cc1c[nH]c(-c2cncc([C@H]3CCCN3C(=O)c3ccc(Cc4ccc(F)cc4)nc3)n2)n1 ZINC000257334705 568726189 /nfs/dbraw/zinc/72/61/89/568726189.db2.gz YHBORDVDGSWTRZ-HSZRJFAPSA-N 0 0 442.498 4.277 40 0 IIABRN CCNc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4OC)o3)C2)s1 ZINC000257334337 568726333 /nfs/dbraw/zinc/72/63/33/568726333.db2.gz YFLYHRJTOMLJHS-KRWDZBQOSA-N 0 0 440.569 4.491 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2cc(Nc3cccc(C)n3)cc(C)n2)C1 ZINC000257336417 568727032 /nfs/dbraw/zinc/72/70/32/568727032.db2.gz YOHSPGVIGAHXTD-FQEVSTJZSA-N 0 0 435.528 4.471 40 0 IIABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccnc(Cc3cccc(F)c3)c1)C2 ZINC000257337784 568727890 /nfs/dbraw/zinc/72/78/90/568727890.db2.gz YUIMHFXNVBIYQK-CONSUNNSSA-N 0 0 435.543 4.206 40 0 IIABRN Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)c3nccc4ccccc43)CCO2)n1 ZINC000257339679 568728395 /nfs/dbraw/zinc/72/83/95/568728395.db2.gz ZCTHIUAALUCHHK-QFIPXVFZSA-N 0 0 425.492 4.291 40 0 IIABRN COc1ccc(CCC(=O)N2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)cc1 ZINC000257344909 568730714 /nfs/dbraw/zinc/73/07/14/568730714.db2.gz ZZDWHKITLMXCAJ-FQEVSTJZSA-N 0 0 438.553 4.131 40 0 IIABRN COc1ccc(CCC(=O)N2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)cc1 ZINC000257344910 568730888 /nfs/dbraw/zinc/73/08/88/568730888.db2.gz ZZDWHKITLMXCAJ-HXUWFJFHSA-N 0 0 438.553 4.131 40 0 IIABRN COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)ccc1O ZINC000261363455 568733136 /nfs/dbraw/zinc/73/31/36/568733136.db2.gz SFOKHRVYDISYKW-QFIPXVFZSA-O 0 0 445.524 4.116 40 0 IIABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Cl)c1Cl ZINC000261363848 568733541 /nfs/dbraw/zinc/73/35/41/568733541.db2.gz XFYONUJLKRBNOV-LJQANCHMSA-O 0 0 448.355 4.469 40 0 IIABRN O=C(c1ccncc1)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccccc3)C(=O)C[C@@H]12 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569221031 /nfs/dbraw/zinc/22/10/31/569221031.db2.gz AYZASYAMZZJUBS-UHFFFAOYSA-N 0 0 449.787 4.162 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000010128402 569221584 /nfs/dbraw/zinc/22/15/84/569221584.db2.gz AZAQWTBKWJRICX-QHCPKHFHSA-N 0 0 436.577 4.449 40 0 IIABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000010128580 569221586 /nfs/dbraw/zinc/22/15/86/569221586.db2.gz ZXCREYFHRMNHRK-QFIPXVFZSA-N 0 0 442.968 4.485 40 0 IIABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1ccccc1 ZINC000010314401 569222522 /nfs/dbraw/zinc/22/25/22/569222522.db2.gz NWAPCFGTLNRTCG-UHFFFAOYSA-N 0 0 440.590 4.459 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314811 569222544 /nfs/dbraw/zinc/22/25/44/569222544.db2.gz TYSQWBSMSDMGKI-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN Cc1cccc(CSCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000010314936 569222716 /nfs/dbraw/zinc/22/27/16/569222716.db2.gz YKLKXJMRMXOJMO-UHFFFAOYSA-N 0 0 440.590 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KJDYSHJYEIOZFE-KRWDZBQOSA-N 0 0 448.542 4.394 40 0 IIABRN COc1cc(C)ccc1CN1CCO[C@@H](c2c3cccnc3sc2C(=O)NC(C)C)C1 ZINC000019703308 569233014 /nfs/dbraw/zinc/23/30/14/569233014.db2.gz ZFPZIICYSZYLLE-HXUWFJFHSA-N 0 0 439.581 4.325 40 0 IIABRN COc1ccccc1/C=C/CN1CCO[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019703330 569233021 /nfs/dbraw/zinc/23/30/21/569233021.db2.gz YNLGGQRVCDMGBQ-JCOOBLOPSA-N 0 0 437.565 4.093 40 0 IIABRN Cc1ncsc1C(=O)N1CC[C@@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019705022 569233830 /nfs/dbraw/zinc/23/38/30/569233830.db2.gz LPQMOBYDFAVJNL-OAHLLOKOSA-N 0 0 436.516 4.104 40 0 IIABRN COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCN(C(=O)CC4CCCC4)C3)ccc12 ZINC000019704976 569233839 /nfs/dbraw/zinc/23/38/39/569233839.db2.gz YIWQXPRFAZGJTM-LJQANCHMSA-N 0 0 433.556 4.475 40 0 IIABRN COc1ccc(Cl)cc1C(=O)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713281 569235639 /nfs/dbraw/zinc/23/56/39/569235639.db2.gz GUEJWSXFSCUBTF-WOJBJXKFSA-N 0 0 430.907 4.284 40 0 IIABRN COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccc(C)nc2)nc1C ZINC000019755728 569236883 /nfs/dbraw/zinc/23/68/83/569236883.db2.gz PWYQXODWUKHKGQ-NRFANRHFSA-N 0 0 445.523 4.117 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763271 569237854 /nfs/dbraw/zinc/23/78/54/569237854.db2.gz ISDKEMRSNKZNDH-QGZVFWFLSA-N 0 0 449.530 4.051 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860565 569239690 /nfs/dbraw/zinc/23/96/90/569239690.db2.gz OSCFFHORTNZFJV-NQIIRXRSSA-N 0 0 449.016 4.019 40 0 IIABRN Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)N1CCCC1 ZINC000021004134 569241520 /nfs/dbraw/zinc/24/15/20/569241520.db2.gz HKBDKBJFTBBGMG-UHFFFAOYSA-N 0 0 434.561 4.299 40 0 IIABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1C ZINC000022028408 569241737 /nfs/dbraw/zinc/24/17/37/569241737.db2.gz RYVRXAGEBCWUSF-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(Cl)c1 ZINC000028208171 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ZINC000022532255 523223871 /nfs/dbraw/zinc/22/38/71/523223871.db2.gz JCVUZXRRSMTBJX-UHFFFAOYSA-N 0 0 435.760 4.071 40 0 IIABRN COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cc1Cn1cccn1 ZINC000012088018 523641533 /nfs/dbraw/zinc/64/15/33/523641533.db2.gz ZJQSJEULXIDBDP-FQEVSTJZSA-N 0 0 441.535 4.090 40 0 IIABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000015010929 523757764 /nfs/dbraw/zinc/75/77/64/523757764.db2.gz PDUHXZSDFBPTNC-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000022229834 523795407 /nfs/dbraw/zinc/79/54/07/523795407.db2.gz PQBJYBXYLOFEIV-QGZVFWFLSA-N 0 0 443.352 4.102 40 0 IIABRN CCc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)CC)c2ccccn2)cc1 ZINC000012869602 523956448 /nfs/dbraw/zinc/95/64/48/523956448.db2.gz ZDXLPZMSACUJEL-FQEVSTJZSA-N 0 0 437.569 4.188 40 0 IIABRN CN1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464127 524011820 /nfs/dbraw/zinc/01/18/20/524011820.db2.gz 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524767053 /nfs/dbraw/zinc/76/70/53/524767053.db2.gz MUTBYMNOLQWESC-HXUWFJFHSA-N 0 0 438.553 4.158 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000014369879 524772609 /nfs/dbraw/zinc/77/26/09/524772609.db2.gz GPPYFHFEKNLKFG-IBGZPJMESA-N 0 0 438.549 4.076 40 0 IIABRN COc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4cccc(F)c4)n23)c1 ZINC000012878940 524795365 /nfs/dbraw/zinc/79/53/65/524795365.db2.gz YGIXOWCAJRSQRU-UHFFFAOYSA-N 0 0 444.513 4.345 40 0 IIABRN COc1ccc(OC)c(NC(=O)CSc2nc3cccnc3n2-c2ccc(F)cc2)c1 ZINC000035289341 524852583 /nfs/dbraw/zinc/85/25/83/524852583.db2.gz PLXCONGSNSYFHV-UHFFFAOYSA-N 0 0 438.484 4.308 40 0 IIABRN Cc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2F)c1 ZINC000012870140 524859455 /nfs/dbraw/zinc/85/94/55/524859455.db2.gz GPSOPIVBDOGVLU-LJQANCHMSA-N 0 0 426.517 4.288 40 0 IIABRN C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000022377797 524949183 /nfs/dbraw/zinc/94/91/83/524949183.db2.gz FFKCAJFIMVANKR-INIZCTEOSA-N 0 0 430.476 4.038 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2ccccc2)cc1C ZINC000022389189 525010101 /nfs/dbraw/zinc/01/01/01/525010101.db2.gz LYSJMSFADCAGOR-UHFFFAOYSA-N 0 0 442.581 4.206 40 0 IIABRN Cc1cc(I)cc(C)c1NC(=O)Cn1cc(C=O)c2ccccc21 ZINC000017097796 525011621 /nfs/dbraw/zinc/01/16/21/525011621.db2.gz XZNRFUPGNAKWSR-UHFFFAOYSA-N 0 0 432.261 4.314 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1C ZINC000022379247 525012393 /nfs/dbraw/zinc/01/23/93/525012393.db2.gz NEFOUCRYBQJZCR-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000022513547 525132195 /nfs/dbraw/zinc/13/21/95/525132195.db2.gz ALCWNRAYZRHEJT-MRXNPFEDSA-N 0 0 438.977 4.081 40 0 IIABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000022460058 525138191 /nfs/dbraw/zinc/13/81/91/525138191.db2.gz AOVMMBCQFJVQAX-GOEBONIOSA-N 0 0 441.380 4.272 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 ZINC000022519313 525141885 /nfs/dbraw/zinc/14/18/85/525141885.db2.gz OFFLVTZMRCMTHK-GOSISDBHSA-N 0 0 430.570 4.059 40 0 IIABRN COc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020453353 525305056 /nfs/dbraw/zinc/30/50/56/525305056.db2.gz GVIRLUQBBSXXCA-IBGZPJMESA-N 0 0 438.549 4.076 40 0 IIABRN Cc1ccccc1[C@H](C(=O)NCc1ccccc1)N(C[C@H]1CCCO1)C(=O)c1ccccn1 ZINC000035313903 525398316 /nfs/dbraw/zinc/39/83/16/525398316.db2.gz HONNHIAGUSKXMN-RCZVLFRGSA-N 0 0 443.547 4.069 40 0 IIABRN Cc1ccc(OCCn2cc(C)c(=O)n(Cc3ccccc3)c2=O)c(Cc2ccccc2)c1 ZINC000015022183 525426864 /nfs/dbraw/zinc/42/68/64/525426864.db2.gz AHAISBPKHVDJTH-UHFFFAOYSA-N 0 0 440.543 4.345 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1 ZINC000020461054 525508046 /nfs/dbraw/zinc/50/80/46/525508046.db2.gz HIBARCFTITTWFZ-XMMPIXPASA-N 0 0 434.561 4.384 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000022515715 525526174 /nfs/dbraw/zinc/52/61/74/525526174.db2.gz DMAPKBHLMQDQLQ-UHFFFAOYSA-N 0 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436.961 4.087 40 0 IIABRN CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 ZINC000408555972 555893310 /nfs/dbraw/zinc/89/33/10/555893310.db2.gz BMPSZXSCUUOZBE-LJQANCHMSA-N 0 0 430.570 4.050 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1NC(=O)c1ccc(C)cc1 ZINC000408558585 555897731 /nfs/dbraw/zinc/89/77/31/555897731.db2.gz JTLINTXOJPPUQV-UHFFFAOYSA-N 0 0 436.533 4.003 40 0 IIABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O ZINC000408559879 555899546 /nfs/dbraw/zinc/89/95/46/555899546.db2.gz WYFBVBGSWIHENO-CQSZACIVSA-N 0 0 432.929 4.295 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000408560006 555899885 /nfs/dbraw/zinc/89/98/85/555899885.db2.gz OARFHOKLHVQSOK-UHFFFAOYSA-N 0 0 436.961 4.005 40 0 IIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1)N1CCCCC1 ZINC000408561195 555902965 /nfs/dbraw/zinc/90/29/65/555902965.db2.gz HBWNFTSRFNUADC-UHFFFAOYSA-N 0 0 438.347 4.268 40 0 IIABRN COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1nn2c(C)nnc2s1 ZINC000408573062 555923051 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40 0 IIABRN c1snnc1-c1ccccc1OCCOCCOc1ccccc1-c1csnn1 ZINC000003844521 555948052 /nfs/dbraw/zinc/94/80/52/555948052.db2.gz ZALCUCUKQWQRMQ-UHFFFAOYSA-N 0 0 426.523 4.198 40 0 IIABRN CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408592429 555953891 /nfs/dbraw/zinc/95/38/91/555953891.db2.gz KKQVKMFBWYDVKI-HSZRJFAPSA-N 0 0 436.577 4.340 40 0 IIABRN CCc1cccc(CC)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408592430 555953922 /nfs/dbraw/zinc/95/39/22/555953922.db2.gz KKQVKMFBWYDVKI-QHCPKHFHSA-N 0 0 436.577 4.340 40 0 IIABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408591355 555955305 /nfs/dbraw/zinc/95/53/05/555955305.db2.gz LHPVPEOAJFAIRH-OAHLLOKOSA-N 0 0 436.961 4.357 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1C ZINC000408595053 555960826 /nfs/dbraw/zinc/96/08/26/555960826.db2.gz SYXGRVDMULMNKG-SFHVURJKSA-N 0 0 430.570 4.320 40 0 IIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408596848 555964529 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IIABRN C[C@H](CCc1ccccc1)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000408613799 555984030 /nfs/dbraw/zinc/98/40/30/555984030.db2.gz VRKBLUVIPUOUOS-LJQANCHMSA-N 0 0 446.588 4.287 40 0 IIABRN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1C ZINC000408615326 555986420 /nfs/dbraw/zinc/98/64/20/555986420.db2.gz OZGAEDFKIZWIKF-UHFFFAOYSA-N 0 0 434.867 4.380 40 0 IIABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408616430 555987460 /nfs/dbraw/zinc/98/74/60/555987460.db2.gz ZBGRYFGWLLSERF-OAHLLOKOSA-N 0 0 447.457 4.083 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)cc1Cl ZINC000408621719 555990579 /nfs/dbraw/zinc/99/05/79/555990579.db2.gz LZEOSQPMXVAZJG-MRXNPFEDSA-N 0 0 436.961 4.087 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)C2CCCCC2)cc1 ZINC000408622609 555991644 /nfs/dbraw/zinc/99/16/44/555991644.db2.gz PNRVMBNILDXLRK-LJQANCHMSA-N 0 0 444.597 4.286 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccc(OC)cc2OC)cc1 ZINC000408623102 555991936 /nfs/dbraw/zinc/99/19/36/555991936.db2.gz CVAVRJATBBFXAI-UHFFFAOYSA-N 0 0 427.522 4.416 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NC1CCCC1 ZINC000408635887 556014283 /nfs/dbraw/zinc/01/42/83/556014283.db2.gz JALXXAQBCFQMOP-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN CCCc1nnc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)n1CC ZINC000408637621 556015297 /nfs/dbraw/zinc/01/52/97/556015297.db2.gz LVBCLKKBIXAWHD-UHFFFAOYSA-N 0 0 436.603 4.098 40 0 IIABRN CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 ZINC000408640481 556016685 /nfs/dbraw/zinc/01/66/85/556016685.db2.gz IWJDPNYVFDPMRM-IBGZPJMESA-N 0 0 438.524 4.424 40 0 IIABRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1 ZINC000408636564 556019265 /nfs/dbraw/zinc/01/92/65/556019265.db2.gz AHOKTDLPGPXPKC-UHFFFAOYSA-N 0 0 439.415 4.407 40 0 IIABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000035225805 556021215 /nfs/dbraw/zinc/02/12/15/556021215.db2.gz VCMJHCUQXXUJRQ-UHFFFAOYSA-N 0 0 445.368 4.254 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1 ZINC000408645333 556021452 /nfs/dbraw/zinc/02/14/52/556021452.db2.gz KAXKNLJHXKRHCZ-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1 ZINC000408645615 556021770 /nfs/dbraw/zinc/02/17/70/556021770.db2.gz VBONQZRNGOSAJG-HNNXBMFYSA-N 0 0 431.330 4.456 40 0 IIABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1 ZINC000408642629 556023447 /nfs/dbraw/zinc/02/34/47/556023447.db2.gz PGZYAENJODZXQO-HNNXBMFYSA-N 0 0 431.330 4.456 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)ccc1C ZINC000408644476 556024574 /nfs/dbraw/zinc/02/45/74/556024574.db2.gz GDMIPOCEKYLORD-UHFFFAOYSA-N 0 0 439.295 4.211 40 0 IIABRN O=C(CCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC1CCCCC1 ZINC000408648759 556029573 /nfs/dbraw/zinc/02/95/73/556029573.db2.gz ZHICFVJCSKCIFX-UHFFFAOYSA-N 0 0 434.842 4.070 40 0 IIABRN CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O ZINC000408652936 556030934 /nfs/dbraw/zinc/03/09/34/556030934.db2.gz PFPDKPMVENQOCQ-QGZVFWFLSA-N 0 0 433.291 4.161 40 0 IIABRN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)CCCC2=O)cc1 ZINC000408655291 556033803 /nfs/dbraw/zinc/03/38/03/556033803.db2.gz RNDFLBHNZDHGES-UHFFFAOYSA-N 0 0 433.291 4.081 40 0 IIABRN Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Br)cc1 ZINC000408657777 556038713 /nfs/dbraw/zinc/03/87/13/556038713.db2.gz HPDCJZBJZFRTEO-UHFFFAOYSA-N 0 0 433.302 4.048 40 0 IIABRN Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1 ZINC000408658205 556039402 /nfs/dbraw/zinc/03/94/02/556039402.db2.gz IFWZGYXOIYZRBX-UHFFFAOYSA-N 0 0 433.302 4.048 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)c2ccccc2)C3=O)c1 ZINC000408659510 556039417 /nfs/dbraw/zinc/03/94/17/556039417.db2.gz JWUKRGZRYVGTKD-QGZVFWFLSA-N 0 0 442.471 4.148 40 0 IIABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000408660766 556041022 /nfs/dbraw/zinc/04/10/22/556041022.db2.gz WVSWPRHVHYBOEF-OAHLLOKOSA-N 0 0 432.863 4.265 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1C ZINC000408661412 556042154 /nfs/dbraw/zinc/04/21/54/556042154.db2.gz VTIKZJXGZQNIQK-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408664325 556044507 /nfs/dbraw/zinc/04/45/07/556044507.db2.gz QBVPNLJCCYENOZ-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408663274 556045969 /nfs/dbraw/zinc/04/59/69/556045969.db2.gz YJCJHHGCRDGLEU-HHXXYDBFSA-N 0 0 438.911 4.001 40 0 IIABRN O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(F)cc1 ZINC000408663187 556046042 /nfs/dbraw/zinc/04/60/42/556046042.db2.gz LVINODJJXCLDFJ-UHFFFAOYSA-N 0 0 427.259 4.423 40 0 IIABRN COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)o2)c1 ZINC000408665649 556049936 /nfs/dbraw/zinc/04/99/36/556049936.db2.gz UOVUKBYKWVZTPL-UHFFFAOYSA-N 0 0 427.482 4.041 40 0 IIABRN Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 ZINC000408669727 556054857 /nfs/dbraw/zinc/05/48/57/556054857.db2.gz OCCYBVQTGYWEFY-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000408669342 556055330 /nfs/dbraw/zinc/05/53/30/556055330.db2.gz WDIXADCTGYLHJD-ARBPTSGCSA-N 0 0 448.519 4.025 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000408670292 556057549 /nfs/dbraw/zinc/05/75/49/556057549.db2.gz ZGDSUQVBPFKVTA-UHFFFAOYSA-N 0 0 447.329 4.357 40 0 IIABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1C ZINC000408670261 556057555 /nfs/dbraw/zinc/05/75/55/556057555.db2.gz WZIZSGIRKIRKRZ-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 ZINC000408678135 556071953 /nfs/dbraw/zinc/07/19/53/556071953.db2.gz CPVVRVNPRKUTLJ-NRFANRHFSA-N 0 0 444.535 4.097 40 0 IIABRN CC(C)(C)NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000006074315 556073782 /nfs/dbraw/zinc/07/37/82/556073782.db2.gz QGQAYDIOKOGQBP-UHFFFAOYSA-N 0 0 448.894 4.469 40 0 IIABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1CC ZINC000035351136 556080688 /nfs/dbraw/zinc/08/06/88/556080688.db2.gz KKAFAWBJHOZBIL-MSOLQXFVSA-N 0 0 446.617 4.371 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000408682630 556082849 /nfs/dbraw/zinc/08/28/49/556082849.db2.gz JWQOYVIFMMYBFK-OAQYLSRUSA-N 0 0 444.535 4.097 40 0 IIABRN CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000408682831 556082859 /nfs/dbraw/zinc/08/28/59/556082859.db2.gz JXHHZDZSIKAIKQ-RBUKOAKNSA-N 0 0 426.875 4.378 40 0 IIABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000408693226 556093426 /nfs/dbraw/zinc/09/34/26/556093426.db2.gz RHFLLQPRGTVAOY-LJQANCHMSA-N 0 0 430.570 4.274 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000408693408 556098732 /nfs/dbraw/zinc/09/87/32/556098732.db2.gz SHZHELMHDWIILW-LJQANCHMSA-N 0 0 444.597 4.011 40 0 IIABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NC(C)C ZINC000408700595 556102874 /nfs/dbraw/zinc/10/28/74/556102874.db2.gz IMEVBQSGZCVFST-UHFFFAOYSA-N 0 0 431.341 4.331 40 0 IIABRN Cc1ccc(C)c(N(CCCC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000408706119 556112544 /nfs/dbraw/zinc/11/25/44/556112544.db2.gz VNEGULBXAZGWJP-UHFFFAOYSA-N 0 0 443.396 4.473 40 0 IIABRN Cc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)c(Br)cc3C)o2)cc1 ZINC000408713953 556128490 /nfs/dbraw/zinc/12/84/90/556128490.db2.gz DQGQIOCHTCADFD-UHFFFAOYSA-N 0 0 444.329 4.462 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)c(C)c1 ZINC000408713466 556130517 /nfs/dbraw/zinc/13/05/17/556130517.db2.gz ZWHRFCXXJIYXRQ-UHFFFAOYSA-N 0 0 444.578 4.100 40 0 IIABRN COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)c3ccccc3OC)cc2c1 ZINC000008442268 556177132 /nfs/dbraw/zinc/17/71/32/556177132.db2.gz PXYYGGVUCIKSLS-UHFFFAOYSA-N 0 0 444.487 4.158 40 0 IIABRN Cc1c(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008661851 556197339 /nfs/dbraw/zinc/19/73/39/556197339.db2.gz YDOHAOWBFNNUFG-UHFFFAOYSA-N 0 0 431.887 4.010 40 0 IIABRN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 ZINC000408738857 556200519 /nfs/dbraw/zinc/20/05/19/556200519.db2.gz WNGQERLDBVMBEO-CRAIPNDOSA-N 0 0 443.912 4.036 40 0 IIABRN O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408738640 556200539 /nfs/dbraw/zinc/20/05/39/556200539.db2.gz TUIAXUJUHDZQLC-SFHVURJKSA-N 0 0 425.535 4.460 40 0 IIABRN CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCN(C)CC3)cc2s1 ZINC000408749662 556231336 /nfs/dbraw/zinc/23/13/36/556231336.db2.gz RXRQZYQDRDJSOC-UHFFFAOYSA-N 0 0 440.594 4.048 40 0 IIABRN CC[C@@H](C(=O)NCCSc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716251 556287331 /nfs/dbraw/zinc/28/73/31/556287331.db2.gz URNCVMNFZFHHPZ-NRFANRHFSA-N 0 0 434.627 4.065 40 0 IIABRN CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716410 556287577 /nfs/dbraw/zinc/28/75/77/556287577.db2.gz KUQBJLNEDPCNGP-XMMPIXPASA-N 0 0 442.625 4.329 40 0 IIABRN CC[C@H](C(=O)NCCSCc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716261 556287634 /nfs/dbraw/zinc/28/76/34/556287634.db2.gz FOEAMUHDNAQJNQ-JOCHJYFZSA-N 0 0 448.654 4.206 40 0 IIABRN COc1ccc2[nH]cc(CCn3c(NC(=O)c4cccs4)nc4ccccc4c3=O)c2c1 ZINC000009482724 556294232 /nfs/dbraw/zinc/29/42/32/556294232.db2.gz ZIRSRVVGGCATBN-UHFFFAOYSA-N 0 0 444.516 4.443 40 0 IIABRN CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036370453 556306948 /nfs/dbraw/zinc/30/69/48/556306948.db2.gz SRKGKCBQIXHYPJ-CKFHNAJUSA-N 0 0 430.574 4.143 40 0 IIABRN Cc1ccc(N=C2C(=O)N(c3ccc(O)cc3)[C@H](c3ccccc3)C2S(C)(=O)=O)cc1 ZINC000009968622 556318949 /nfs/dbraw/zinc/31/89/49/556318949.db2.gz IAQIWDVCOKIIRK-JOCHJYFZSA-N 0 0 434.517 4.157 40 0 IIABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000010009596 556321211 /nfs/dbraw/zinc/32/12/11/556321211.db2.gz ISJVONYWMFXKPS-UHFFFAOYSA-N 0 0 444.534 4.002 40 0 IIABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCCC1 ZINC000010009871 556321746 /nfs/dbraw/zinc/32/17/46/556321746.db2.gz HWJASIFDZDJCLT-UHFFFAOYSA-N 0 0 429.586 4.351 40 0 IIABRN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000010330811 556332110 /nfs/dbraw/zinc/33/21/10/556332110.db2.gz USPLFCQFCJMTTE-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000010330700 556332224 /nfs/dbraw/zinc/33/22/24/556332224.db2.gz BGKXRJGNTPAGBN-QGZVFWFLSA-N 0 0 426.513 4.283 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1Br ZINC000010544169 556336882 /nfs/dbraw/zinc/33/68/82/556336882.db2.gz JRAPVZDFXFTPCH-OAHLLOKOSA-N 0 0 426.332 4.038 40 0 IIABRN O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010691759 556337573 /nfs/dbraw/zinc/33/75/73/556337573.db2.gz VJUFJUSLTYMOTH-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000011170200 556339313 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IIABRN O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000029026791 556465971 /nfs/dbraw/zinc/46/59/71/556465971.db2.gz IIPISXXJDKOGMP-MRXNPFEDSA-N 0 0 434.583 4.109 40 0 IIABRN COc1ccc(-c2noc(CCC(=O)Nc3ccccc3Br)n2)cc1OC ZINC000029470342 556476091 /nfs/dbraw/zinc/47/60/91/556476091.db2.gz ZDZYDSKQGQXCCC-UHFFFAOYSA-N 0 0 432.274 4.088 40 0 IIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000013227536 556500131 /nfs/dbraw/zinc/50/01/31/556500131.db2.gz YSXYDBIPKWSSLV-IVZQSRNASA-N 0 0 444.453 4.147 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000030757368 556505140 /nfs/dbraw/zinc/50/51/40/556505140.db2.gz DGSZWAIIGYKNQH-JKSUJKDBSA-N 0 0 438.977 4.079 40 0 IIABRN NC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1ccnn1C(F)F ZINC000036611103 556506877 /nfs/dbraw/zinc/50/68/77/556506877.db2.gz CFSBDMNSLQWGKW-UHFFFAOYSA-N 0 0 427.383 4.054 40 0 IIABRN O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030848125 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Cc1c(Cl)cccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038849650 556624071 /nfs/dbraw/zinc/62/40/71/556624071.db2.gz DHOQOFYHDYBDSS-IBGZPJMESA-N 0 0 436.961 4.112 40 0 IIABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1 ZINC000016681587 556624113 /nfs/dbraw/zinc/62/41/13/556624113.db2.gz LAWKRACFMDQYNF-UHFFFAOYSA-N 0 0 447.004 4.007 40 0 IIABRN COCc1nn2c(nnc3c2ccn(Cc2ccc(C)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396096 556638689 /nfs/dbraw/zinc/63/86/89/556638689.db2.gz MLBMUXYVMHFJHE-UHFFFAOYSA-N 0 0 445.910 4.263 40 0 IIABRN COc1ccc(CCn2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)cc1 ZINC000040397993 556640137 /nfs/dbraw/zinc/64/01/37/556640137.db2.gz ZKALRIUWQDOZES-UHFFFAOYSA-N 0 0 431.883 4.011 40 0 IIABRN COc1ccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)c(OC)c1 ZINC000016807077 556644512 /nfs/dbraw/zinc/64/45/12/556644512.db2.gz WXSTYDBFADHDKO-UHFFFAOYSA-N 0 0 441.557 4.231 40 0 IIABRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000101020157 556644978 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IIABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044902652 556678496 /nfs/dbraw/zinc/67/84/96/556678496.db2.gz DPUDXQIZVRDXOL-LJQANCHMSA-N 0 0 434.989 4.262 40 0 IIABRN COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2ccccc2C)cc1OC ZINC000000645030 556688790 /nfs/dbraw/zinc/68/87/90/556688790.db2.gz BOHWXQDKWDWRDR-FQEVSTJZSA-N 0 0 432.520 4.393 40 0 IIABRN CCOc1ccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccncc2)cc1 ZINC000000796348 556695203 /nfs/dbraw/zinc/69/52/03/556695203.db2.gz WLPJSNUTDPHWNB-UHFFFAOYSA-N 0 0 437.569 4.223 40 0 IIABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000000800219 556695999 /nfs/dbraw/zinc/69/59/99/556695999.db2.gz CMBVVFVHVKGXBE-QGZVFWFLSA-N 0 0 440.443 4.172 40 0 IIABRN O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000000806070 556696937 /nfs/dbraw/zinc/69/69/37/556696937.db2.gz FJZOIEJIPDYLST-UHFFFAOYSA-N 0 0 429.325 4.126 40 0 IIABRN CC(C)C(=O)N1CCC(C[C@H]2CC(c3ccccc3)=NO2)(C(=O)NC2CCCCC2)CC1 ZINC000019085167 556698778 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O=C(CCn1cnc2ccccc21)N1CCO[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257242040 556710465 /nfs/dbraw/zinc/71/04/65/556710465.db2.gz IAUSKLCKQDABMT-RUZDIDTESA-N 0 0 444.510 4.151 40 0 IIABRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1C ZINC000019214204 556711050 /nfs/dbraw/zinc/71/10/50/556711050.db2.gz XXXBYWQSZFOXCQ-SBUREZEXSA-N 0 0 444.535 4.044 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCC4(C[C@H](Oc5ccccc5)CO4)CC3)CCOCC2)cc1 ZINC000257254483 556712096 /nfs/dbraw/zinc/71/20/96/556712096.db2.gz KDGAHMYSIIZQHR-DEOSSOPVSA-N 0 0 435.564 4.272 40 0 IIABRN Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019217968 556713136 /nfs/dbraw/zinc/71/31/36/556713136.db2.gz OGZHYLCLTKIVFL-IBGZPJMESA-N 0 0 429.524 4.487 40 0 IIABRN COc1ccccc1C(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(N)=O)CC1 ZINC000257267900 556713376 /nfs/dbraw/zinc/71/33/76/556713376.db2.gz MJIZVIDZMVTQQL-UHFFFAOYSA-N 0 0 434.561 4.374 40 0 IIABRN CCCCOc1ccc(NC(=O)CN2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1 ZINC000257302947 556717459 /nfs/dbraw/zinc/71/74/59/556717459.db2.gz SFCBIZGKOZXWMA-AHWVRZQESA-N 0 0 438.568 4.254 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)Cc3cccc(C)c3)cc2)on1 ZINC000019234878 556719394 /nfs/dbraw/zinc/71/93/94/556719394.db2.gz QXMHCHGFBJCLHP-UHFFFAOYSA-N 0 0 441.535 4.340 40 0 IIABRN Cc1cccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)c1 ZINC000019234829 556719439 /nfs/dbraw/zinc/71/94/39/556719439.db2.gz IWVGGUHFUFVSHM-HSZRJFAPSA-N 0 0 427.552 4.283 40 0 IIABRN COc1ccccc1CC(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1 ZINC000019235483 556719916 /nfs/dbraw/zinc/71/99/16/556719916.db2.gz IOMSFJUTWRXBIP-NDEPHWFRSA-N 0 0 442.559 4.160 40 0 IIABRN COc1c(C)cccc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 ZINC000019235866 556720399 /nfs/dbraw/zinc/72/03/99/556720399.db2.gz VTSSVHMJDXKUEO-JOCHJYFZSA-N 0 0 443.551 4.363 40 0 IIABRN COc1c(C)cccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 ZINC000019235865 556720402 /nfs/dbraw/zinc/72/04/02/556720402.db2.gz VTSSVHMJDXKUEO-QFIPXVFZSA-N 0 0 443.551 4.363 40 0 IIABRN Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1C ZINC000019239690 556725024 /nfs/dbraw/zinc/72/50/24/556725024.db2.gz FLIRFBGKJFWPCM-QFIPXVFZSA-N 0 0 448.571 4.204 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)Cc1cccc(F)c1 ZINC000019239722 556725471 /nfs/dbraw/zinc/72/54/71/556725471.db2.gz DPBYVHKYCWPPHV-JOCHJYFZSA-N 0 0 433.531 4.348 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)Cc1cccs1 ZINC000000871449 556726431 /nfs/dbraw/zinc/72/64/31/556726431.db2.gz BTJXXQMEZDQFAT-UHFFFAOYSA-N 0 0 432.498 4.477 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1NC(=O)COc1ccccc1 ZINC000000871964 556726854 /nfs/dbraw/zinc/72/68/54/556726854.db2.gz ZEPFFIQIBOJELH-UHFFFAOYSA-N 0 0 438.505 4.421 40 0 IIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)COc2ccc(F)c(Cl)c2)n1 ZINC000019286863 556727984 /nfs/dbraw/zinc/72/79/84/556727984.db2.gz SQEZUJNHHHWMCI-HXUWFJFHSA-N 0 0 426.879 4.382 40 0 IIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCC(C)C)cc2c1 ZINC000000875024 556728464 /nfs/dbraw/zinc/72/84/64/556728464.db2.gz OYBMXBYWBFRABD-UHFFFAOYSA-N 0 0 437.565 4.098 40 0 IIABRN COc1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3N2C(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000019290396 556730506 /nfs/dbraw/zinc/73/05/06/556730506.db2.gz ZEMYSWZVTZZFGW-YADARESESA-N 0 0 426.520 4.204 40 0 IIABRN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2c1 ZINC000000879720 556731251 /nfs/dbraw/zinc/73/12/51/556731251.db2.gz RUUMSZRLIPKBKE-OAQYLSRUSA-N 0 0 437.565 4.223 40 0 IIABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000000883846 556734321 /nfs/dbraw/zinc/73/43/21/556734321.db2.gz JDGMLYQCFUDSQN-HNNXBMFYSA-N 0 0 445.566 4.122 40 0 IIABRN Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1 ZINC000000891822 556739900 /nfs/dbraw/zinc/73/99/00/556739900.db2.gz PEUHHVNJBFCKIF-UHFFFAOYSA-N 0 0 442.924 4.474 40 0 IIABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCc4ccccc43)cc2c1 ZINC000000908681 556744648 /nfs/dbraw/zinc/74/46/48/556744648.db2.gz VMGGVKVCRHBHBP-QHCPKHFHSA-N 0 0 442.567 4.374 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCc2ccccc21 ZINC000000910603 556745217 /nfs/dbraw/zinc/74/52/17/556745217.db2.gz WVBQMQQAMAKKGM-QHCPKHFHSA-N 0 0 442.567 4.429 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000913691 556745571 /nfs/dbraw/zinc/74/55/71/556745571.db2.gz JCXCHALXLAXRBL-UHFFFAOYSA-N 0 0 440.565 4.369 40 0 IIABRN COc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c(=O)[nH]c2c1 ZINC000000915070 556746392 /nfs/dbraw/zinc/74/63/92/556746392.db2.gz HXSXYTJWOOXXGW-UHFFFAOYSA-N 0 0 448.544 4.236 40 0 IIABRN CCOC(=O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccc(OC)cc1 ZINC000000917373 556747625 /nfs/dbraw/zinc/74/76/25/556747625.db2.gz UJPBUZMVMKUKLM-UHFFFAOYSA-N 0 0 432.933 4.197 40 0 IIABRN O=C(CSC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)NC(=O)Nc1ccccc1 ZINC000001092312 556750520 /nfs/dbraw/zinc/75/05/20/556750520.db2.gz WGWYQFLTTMKQMS-NRFANRHFSA-N 0 0 443.532 4.173 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000923458 556751372 /nfs/dbraw/zinc/75/13/72/556751372.db2.gz GXNUCASXBONUAW-UHFFFAOYSA-N 0 0 440.565 4.369 40 0 IIABRN CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000000924452 556752101 /nfs/dbraw/zinc/75/21/01/556752101.db2.gz LYJGMFOSMKTWAT-UHFFFAOYSA-N 0 0 448.527 4.265 40 0 IIABRN Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000000925696 556752744 /nfs/dbraw/zinc/75/27/44/556752744.db2.gz UETIFUHSDURBRW-UHFFFAOYSA-N 0 0 442.567 4.183 40 0 IIABRN Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1C ZINC000000926467 556753142 /nfs/dbraw/zinc/75/31/42/556753142.db2.gz HBEFABBFTINFNU-UHFFFAOYSA-N 0 0 436.585 4.150 40 0 IIABRN COc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3cc2C)c(OC)c1 ZINC000000928258 556754285 /nfs/dbraw/zinc/75/42/85/556754285.db2.gz JVPUIIJABVXTEE-UHFFFAOYSA-N 0 0 428.510 4.308 40 0 IIABRN CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CCCC2)C1 ZINC000019447242 556756126 /nfs/dbraw/zinc/75/61/26/556756126.db2.gz RQMXREACDWRNDX-MHZLTWQESA-N 0 0 433.596 4.472 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000019449121 556759251 /nfs/dbraw/zinc/75/92/51/556759251.db2.gz ODOPOBAUPCOGAW-KCWPFWIISA-N 0 0 431.580 4.391 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000019449141 556759459 /nfs/dbraw/zinc/75/94/59/556759459.db2.gz BJPKUUBDUPXMHR-BWKNWUBXSA-N 0 0 440.609 4.270 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccn2)C1 ZINC000019449428 556759950 /nfs/dbraw/zinc/75/99/50/556759950.db2.gz QCYLSFJEDDEQFU-RUZDIDTESA-N 0 0 433.577 4.410 40 0 IIABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCc3ccccc3)cc2c1 ZINC000000933935 556760152 /nfs/dbraw/zinc/76/01/52/556760152.db2.gz KTIAIOWZDLNNRE-UHFFFAOYSA-N 0 0 442.588 4.351 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccncc2)C1 ZINC000019449473 556760213 /nfs/dbraw/zinc/76/02/13/556760213.db2.gz VFYCKOWHXKMZGS-HHHXNRCGSA-N 0 0 445.538 4.487 40 0 IIABRN CC(C)c1nc(N2CCC(NC(=O)Cc3ccccc3F)CC2)ncc1-c1ccncc1 ZINC000019451631 556762288 /nfs/dbraw/zinc/76/22/88/556762288.db2.gz BURAAQBLVDMCOE-UHFFFAOYSA-N 0 0 433.531 4.129 40 0 IIABRN C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000019496073 556768714 /nfs/dbraw/zinc/76/87/14/556768714.db2.gz PZMOLIPGAWAHSF-ROUUACIJSA-N 0 0 445.567 4.381 40 0 IIABRN Cc1sc(NC(=O)c2cnccn2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000001238236 556770177 /nfs/dbraw/zinc/77/01/77/556770177.db2.gz BBHPCIQVJFYNMN-UHFFFAOYSA-N 0 0 435.553 4.486 40 0 IIABRN Cc1cc2nc(-c3ccc(SCC(=O)N4CC(=O)Nc5ccccc54)nc3)[nH]c2cc1C ZINC000001329737 556774134 /nfs/dbraw/zinc/77/41/34/556774134.db2.gz YOLBEJDQURPQPF-UHFFFAOYSA-N 0 0 443.532 4.319 40 0 IIABRN CCCN1CCN(C(=O)Cc2ccccc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019503119 556774624 /nfs/dbraw/zinc/77/46/24/556774624.db2.gz IFUDBGPAVZXXEX-SANMLTNESA-N 0 0 441.575 4.231 40 0 IIABRN CCCN1CCN(Cc2cnc(CC)nc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503287 556774950 /nfs/dbraw/zinc/77/49/50/556774950.db2.gz GMOPTJGIAQWIPY-DEOSSOPVSA-N 0 0 443.595 4.014 40 0 IIABRN CCOc1ccccc1C(=O)N1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019520059 556775902 /nfs/dbraw/zinc/77/59/02/556775902.db2.gz SLTNSDVNVCIFBN-LJQANCHMSA-N 0 0 431.540 4.023 40 0 IIABRN CCOc1ccccc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 ZINC000019520147 556776132 /nfs/dbraw/zinc/77/61/32/556776132.db2.gz LLSKSFVKFOJPLF-JOCHJYFZSA-N 0 0 443.551 4.445 40 0 IIABRN C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)N5CCCC5)nnc4c23)C1 ZINC000001339644 556777625 /nfs/dbraw/zinc/77/76/25/556777625.db2.gz ATEPWBUDLSUSLM-GFCCVEGCSA-N 0 0 427.599 4.056 40 0 IIABRN COc1ccccc1NC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000001340237 556778101 /nfs/dbraw/zinc/77/81/01/556778101.db2.gz ORPQWBRDZNEWPJ-UHFFFAOYSA-N 0 0 428.492 4.209 40 0 IIABRN CCc1noc(C)c1C(=O)N1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2ccccc2)C1 ZINC000019521243 556778090 /nfs/dbraw/zinc/77/80/90/556778090.db2.gz NWOZCELOBCTTIX-JOCHJYFZSA-N 0 0 445.563 4.376 40 0 IIABRN Cc1cccc(NC(=O)CN2c3cc(C(=O)NC4CCCC4)ccc3OC(C)(C)C2=O)c1C ZINC000001342295 556779007 /nfs/dbraw/zinc/77/90/07/556779007.db2.gz UCSUJFUPFCHHHW-UHFFFAOYSA-N 0 0 449.551 4.119 40 0 IIABRN Cc1cccc(NC(=O)CN2c3cc(C(=O)Nc4ccccc4)ccc3OC(C)(C)C2=O)c1 ZINC000001342376 556779030 /nfs/dbraw/zinc/77/90/30/556779030.db2.gz PLRRNNREGVVNDY-UHFFFAOYSA-N 0 0 443.503 4.390 40 0 IIABRN CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1ccccc1OC ZINC000001353590 556781429 /nfs/dbraw/zinc/78/14/29/556781429.db2.gz NLMZPRPDTDMHPK-UHFFFAOYSA-N 0 0 435.455 4.395 40 0 IIABRN CCOc1ccc2nc(NC(=O)CSc3nnnn3-c3ccc(C)cc3C)sc2c1 ZINC000001353379 556781434 /nfs/dbraw/zinc/78/14/34/556781434.db2.gz XPBUEERKXDWRMG-UHFFFAOYSA-N 0 0 440.554 4.018 40 0 IIABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)n1 ZINC000019525696 556783601 /nfs/dbraw/zinc/78/36/01/556783601.db2.gz SZBYURIVLWEZSK-NRFANRHFSA-N 0 0 438.553 4.026 40 0 IIABRN CC[C@H]1CCCCN1C(=O)CSc1nnc2c3c4c(sc3nc(C)n12)CCCC4 ZINC000001372299 556785040 /nfs/dbraw/zinc/78/50/40/556785040.db2.gz NQVHSMMUTOVNSF-AWEZNQCLSA-N 0 0 429.615 4.409 40 0 IIABRN CCN1CC[C@]2(C[C@@H](NC(=O)c3cccc4cccnc43)c3ccccc3O2)CCC1=O ZINC000019527101 556785448 /nfs/dbraw/zinc/78/54/48/556785448.db2.gz CNEMVXQCKDGNRW-RLWLMLJZSA-N 0 0 429.520 4.260 40 0 IIABRN COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)Nc2ccccc2C)cc1 ZINC000001359984 556786983 /nfs/dbraw/zinc/78/69/83/556786983.db2.gz IPDXTJJMOVETBY-UHFFFAOYSA-N 0 0 428.492 4.474 40 0 IIABRN COc1ccc(-c2ccc(-c3nnn(CC(=O)Nc4ccc5c(c4)CCC5)n3)cc2)cc1 ZINC000001360674 556787733 /nfs/dbraw/zinc/78/77/33/556787733.db2.gz RADASJLBMKSYFR-UHFFFAOYSA-N 0 0 425.492 4.143 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000019528469 556787854 /nfs/dbraw/zinc/78/78/54/556787854.db2.gz DPZPUKBYYKHDTL-OFVILXPXSA-N 0 0 440.609 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C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000001368063 556792303 /nfs/dbraw/zinc/79/23/03/556792303.db2.gz QSHHRQMNNWSBSU-CHWSQXEVSA-N 0 0 425.579 4.179 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000001368061 556792312 /nfs/dbraw/zinc/79/23/12/556792312.db2.gz QSHHRQMNNWSBSU-QWHCGFSZSA-N 0 0 425.579 4.179 40 0 IIABRN CCOc1ccc(OCC)c(NC(=O)CSc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000001368246 556792488 /nfs/dbraw/zinc/79/24/88/556792488.db2.gz JLQDNMIQEXNGKZ-UHFFFAOYSA-N 0 0 433.555 4.130 40 0 IIABRN Cc1cccc2cc(CN(Cc3ccccc3Cl)C(=O)c3ccncc3)c3nnnn3c12 ZINC000001376866 556793994 /nfs/dbraw/zinc/79/39/94/556793994.db2.gz SJILCRMLNFTNJL-UHFFFAOYSA-N 0 0 442.910 4.477 40 0 IIABRN Cc1ncncc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019552942 556796839 /nfs/dbraw/zinc/79/68/39/556796839.db2.gz RNKYDVJOCJOGMO-CYBMUJFWSA-N 0 0 433.459 4.342 40 0 IIABRN COc1ccc(C(=O)c2cn(CC(=O)Nc3nc4c(s3)CCCC4)c3cnccc23)cc1 ZINC000019553274 556797375 /nfs/dbraw/zinc/79/73/75/556797375.db2.gz LPEFHYLEDNGKTB-UHFFFAOYSA-N 0 0 446.532 4.250 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)cc1 ZINC000019554140 556797798 /nfs/dbraw/zinc/79/77/98/556797798.db2.gz PTJUNBSSBYGXKS-AREMUKBSSA-N 0 0 448.588 4.303 40 0 IIABRN COc1ccc(CCC(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccccc3)C2)cc1 ZINC000019554563 556797990 /nfs/dbraw/zinc/79/79/90/556797990.db2.gz FLFAEXZMDLZJHW-XMMPIXPASA-N 0 0 442.559 4.112 40 0 IIABRN COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)C[C@@H]4C=CCC4)C3)cc2)cc1 ZINC000019558229 556799981 /nfs/dbraw/zinc/79/99/81/556799981.db2.gz ZWPBXJRQWRLETE-NFQMXDRXSA-N 0 0 432.564 4.355 40 0 IIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)c1C ZINC000019558455 556800141 /nfs/dbraw/zinc/80/01/41/556800141.db2.gz JZIYKJDVCCCKSR-LJQANCHMSA-N 0 0 439.947 4.374 40 0 IIABRN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N4)C2)o1 ZINC000019559249 556801138 /nfs/dbraw/zinc/80/11/38/556801138.db2.gz 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COc1cccc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccccn3)CC2)c1 ZINC000019564273 556805034 /nfs/dbraw/zinc/80/50/34/556805034.db2.gz CEYMGNORUHHBOS-UHFFFAOYSA-N 0 0 429.524 4.141 40 0 IIABRN COc1ccccc1C(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 ZINC000019568665 556808556 /nfs/dbraw/zinc/80/85/56/556808556.db2.gz ARTCJUITXKBWHN-RUZDIDTESA-N 0 0 434.561 4.374 40 0 IIABRN COc1ccccc1OCC(=O)N1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000019568686 556808704 /nfs/dbraw/zinc/80/87/04/556808704.db2.gz CCGSFBAXFLOVDV-CQSZACIVSA-N 0 0 449.429 4.344 40 0 IIABRN CCn1cncc1C(=O)N1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2ccc(C)cc2)C1 ZINC000019578433 556815944 /nfs/dbraw/zinc/81/59/44/556815944.db2.gz IWOFEHSYDAHOFO-HSZRJFAPSA-N 0 0 444.579 4.042 40 0 IIABRN CCn1cncc1C(=O)N1CCN(CC)C(=O)[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1 ZINC000019578436 556816044 /nfs/dbraw/zinc/81/60/44/556816044.db2.gz IWOFEHSYDAHOFO-QHCPKHFHSA-N 0 0 444.579 4.042 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)[C@@H]2CC=CCC2)C1 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CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000019591491 556826901 /nfs/dbraw/zinc/82/69/01/556826901.db2.gz OATKCCXOEOBACU-SANMLTNESA-N 0 0 448.588 4.174 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000019591486 556826921 /nfs/dbraw/zinc/82/69/21/556826921.db2.gz PGTKDXUWWLVRNH-RUZDIDTESA-N 0 0 436.552 4.304 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000019591493 556826982 /nfs/dbraw/zinc/82/69/82/556826982.db2.gz GHPMEBUMDHLCIW-NDEPHWFRSA-N 0 0 442.559 4.112 40 0 IIABRN CNc1cc([C@@H]2CCCN(C(=O)Cn3ccc4ccc(F)cc43)C2)nc(-c2ccncc2)n1 ZINC000019592264 556828357 /nfs/dbraw/zinc/82/83/57/556828357.db2.gz KSQDXAXMGGQGRO-LJQANCHMSA-N 0 0 444.514 4.080 40 0 IIABRN CCOc1ccc(NC(=S)N(CCCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000006089917 556829016 /nfs/dbraw/zinc/82/90/16/556829016.db2.gz DRSWGDNPTPJXGZ-UHFFFAOYSA-N 0 0 439.581 4.125 40 0 IIABRN COCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(Cl)cc2[nH]c1=O ZINC000006321445 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Cc1c2cc(C)ccc2oc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000072351871 556922481 /nfs/dbraw/zinc/92/24/81/556922481.db2.gz BLIGUKNCXOMQIT-QHCPKHFHSA-N 0 0 439.515 4.295 40 0 IIABRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)cc1 ZINC000409022124 556922857 /nfs/dbraw/zinc/92/28/57/556922857.db2.gz FLCSJKQYZNQPSK-CPNJWEJPSA-N 0 0 433.489 4.271 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 ZINC000019820230 556923664 /nfs/dbraw/zinc/92/36/64/556923664.db2.gz IIFHLLMAINRLMB-DHIUTWEWSA-N 0 0 441.487 4.057 40 0 IIABRN CC(=O)c1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000409028325 556924542 /nfs/dbraw/zinc/92/45/42/556924542.db2.gz MAPHSHQVRPKCBS-UHFFFAOYSA-N 0 0 436.533 4.340 40 0 IIABRN COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409028983 556924970 /nfs/dbraw/zinc/92/49/70/556924970.db2.gz WGZSTOJZVXAAEL-UHFFFAOYSA-N 0 0 430.913 4.183 40 0 IIABRN COc1ccccc1OCCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C)CCO1 ZINC000072352673 556925100 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40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)n1 ZINC000072353793 556928359 /nfs/dbraw/zinc/92/83/59/556928359.db2.gz JNLRCNVQLYMJIM-QFIPXVFZSA-N 0 0 441.579 4.436 40 0 IIABRN COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)c1 ZINC000072354164 556929374 /nfs/dbraw/zinc/92/93/74/556929374.db2.gz OWZCQLLPBNEOGF-JOCHJYFZSA-N 0 0 430.552 4.416 40 0 IIABRN COc1ccccc1Cc1cc(C)nc([C@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)c1 ZINC000072354165 556929380 /nfs/dbraw/zinc/92/93/80/556929380.db2.gz OWZCQLLPBNEOGF-QFIPXVFZSA-N 0 0 430.552 4.416 40 0 IIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072354718 556929847 /nfs/dbraw/zinc/92/98/47/556929847.db2.gz OMQQQKMLFLROPO-SFHVURJKSA-N 0 0 432.908 4.044 40 0 IIABRN O=C(c1ccc2[nH]c(CO)nc2c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356472 556931241 /nfs/dbraw/zinc/93/12/41/556931241.db2.gz WEOHDLMOGHNKMA-SFHVURJKSA-N 0 0 430.483 4.276 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072358139 556931604 /nfs/dbraw/zinc/93/16/04/556931604.db2.gz DYNHQBFYVQVVOJ-QHCPKHFHSA-N 0 0 425.960 4.248 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860563 556932767 /nfs/dbraw/zinc/93/27/67/556932767.db2.gz OSCFFHORTNZFJV-WIYYLYMNSA-N 0 0 449.016 4.019 40 0 IIABRN NC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1cn2cc(Cl)ccc2n1 ZINC000072370300 556934443 /nfs/dbraw/zinc/93/44/43/556934443.db2.gz UBLGXZZBZGEQHE-CQSZACIVSA-N 0 0 438.940 4.149 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3c(Cl)cccc3Cl)CC2)c1 ZINC000019867816 556934852 /nfs/dbraw/zinc/93/48/52/556934852.db2.gz UWIJNMZVRXCAPK-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000019867681 556934853 /nfs/dbraw/zinc/93/48/53/556934853.db2.gz CJDJMOLMJWMMPJ-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000019867837 556934863 /nfs/dbraw/zinc/93/48/63/556934863.db2.gz LTFJTLIADVJXRT-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868526 556935271 /nfs/dbraw/zinc/93/52/71/556935271.db2.gz YJAGQADNXOCUNM-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1cnccn1 ZINC000072370648 556935783 /nfs/dbraw/zinc/93/57/83/556935783.db2.gz UMPGYRJGNJWRCG-QGZVFWFLSA-N 0 0 436.581 4.457 40 0 IIABRN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2Cc2c3ccccc3sc2C(=O)NC)c1C ZINC000072370752 556936454 /nfs/dbraw/zinc/93/64/54/556936454.db2.gz JCWCGRKBOQDTQW-INIZCTEOSA-N 0 0 438.597 4.482 40 0 IIABRN O=C(c1ccc2ncccc2c1)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000072371452 556938739 /nfs/dbraw/zinc/93/87/39/556938739.db2.gz IPBJWEZDXZTRCB-GOSISDBHSA-N 0 0 448.473 4.487 40 0 IIABRN Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)o1 ZINC000072371541 556939444 /nfs/dbraw/zinc/93/94/44/556939444.db2.gz RSNJSEAACWHHTC-HNNXBMFYSA-N 0 0 448.445 4.285 40 0 IIABRN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)C3)[nH]n2)cc1 ZINC000072371657 556940032 /nfs/dbraw/zinc/94/00/32/556940032.db2.gz FGJYTOATWIVULY-QGZVFWFLSA-N 0 0 448.498 4.290 40 0 IIABRN COc1ccc(C)cc1CC(=O)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371702 556940343 /nfs/dbraw/zinc/94/03/43/556940343.db2.gz RRAGGEJIRKMGAB-GOSISDBHSA-N 0 0 437.515 4.046 40 0 IIABRN Cc1nccn1CCC(=O)N1CCC([C@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000072371981 556941612 /nfs/dbraw/zinc/94/16/12/556941612.db2.gz JVLAWNPMZAWBMT-SANMLTNESA-N 0 0 436.600 4.039 40 0 IIABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409075958 556943785 /nfs/dbraw/zinc/94/37/85/556943785.db2.gz ZJZZXKBBIRXKMX-MDBUFAAASA-N 0 0 445.468 4.011 40 0 IIABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000409070550 556945027 /nfs/dbraw/zinc/94/50/27/556945027.db2.gz CBSLXKFONXHFCK-SLDJAQPHSA-N 0 0 441.505 4.180 40 0 IIABRN CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccc(Br)cc1 ZINC000019927757 556945386 /nfs/dbraw/zinc/94/53/86/556945386.db2.gz DGPITIUPKULMRD-UHFFFAOYSA-N 0 0 431.359 4.483 40 0 IIABRN Cc1cc(C)nc(NCCC(=O)N2CCC(c3ccc(Cc4ccccc4)cn3)CC2)n1 ZINC000072374163 556947416 /nfs/dbraw/zinc/94/74/16/556947416.db2.gz HBRTZFQONCKRRT-UHFFFAOYSA-N 0 0 429.568 4.287 40 0 IIABRN CN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)C1CCCCC1 ZINC000019931385 556948867 /nfs/dbraw/zinc/94/88/67/556948867.db2.gz RCVGDIVFZNGMOG-OAHLLOKOSA-N 0 0 447.428 4.326 40 0 IIABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc(CN2CCOCC2)c1 ZINC000019932321 556948964 /nfs/dbraw/zinc/94/89/64/556948964.db2.gz VCTINWQYLPTQCQ-UHFFFAOYSA-N 0 0 439.408 4.489 40 0 IIABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000019934258 556950099 /nfs/dbraw/zinc/95/00/99/556950099.db2.gz NFUDBHFUFWTODA-UHFFFAOYSA-N 0 0 436.574 4.118 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 ZINC000019935290 556950710 /nfs/dbraw/zinc/95/07/10/556950710.db2.gz SOOYYSRHEJWEGK-UHFFFAOYSA-N 0 0 443.352 4.104 40 0 IIABRN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)c3ccccc3Cl)n2)n1 ZINC000072375281 556950780 /nfs/dbraw/zinc/95/07/80/556950780.db2.gz AZBHNQSYIFAGCK-SFHVURJKSA-N 0 0 443.960 4.411 40 0 IIABRN CCOc1ccc2c(cc(C(=O)N3CCC[C@H]3c3cccc(Nc4cnccn4)n3)n2C)c1 ZINC000072375434 556951274 /nfs/dbraw/zinc/95/12/74/556951274.db2.gz HEXOIASJDJHSPY-NRFANRHFSA-N 0 0 442.523 4.483 40 0 IIABRN CCN(c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)S(=O)(=O)c1ccccc1 ZINC000019937912 556952049 /nfs/dbraw/zinc/95/20/49/556952049.db2.gz MNIYGHPNMJDGET-UHFFFAOYSA-N 0 0 446.475 4.198 40 0 IIABRN COc1cccc(CN(C)CC(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)c1 ZINC000072375858 556953156 /nfs/dbraw/zinc/95/31/56/556953156.db2.gz USBXASMMNIZZAZ-HSZRJFAPSA-N 0 0 445.567 4.333 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cccc(Nc4ccccn4)n3)C2)cc1F ZINC000072376032 556953764 /nfs/dbraw/zinc/95/37/64/556953764.db2.gz YJTKZQJCYBVKIF-QGZVFWFLSA-N 0 0 426.517 4.236 40 0 IIABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC ZINC000409098439 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IIJUSLPEWILDFS-UHFFFAOYSA-N 0 0 434.867 4.326 40 0 IIABRN CCc1cccc(C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000409118516 556960658 /nfs/dbraw/zinc/96/06/58/556960658.db2.gz NWNDAFMTPOVIEK-UHFFFAOYSA-N 0 0 438.549 4.400 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000072391263 556961861 /nfs/dbraw/zinc/96/18/61/556961861.db2.gz CGVGQKGCUFNQJW-MHZLTWQESA-N 0 0 444.579 4.411 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)cc1 ZINC000020016583 556962206 /nfs/dbraw/zinc/96/22/06/556962206.db2.gz MIVFTPJMBVRZRG-AWEZNQCLSA-N 0 0 444.450 4.192 40 0 IIABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1)c1ccccc1 ZINC000020023887 556966114 /nfs/dbraw/zinc/96/61/14/556966114.db2.gz FRLVXRGPWYNWNP-GOSISDBHSA-N 0 0 440.540 4.114 40 0 IIABRN CSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 ZINC000020023544 556966141 /nfs/dbraw/zinc/96/61/41/556966141.db2.gz OAAVJPXIKBQHDP-QGZVFWFLSA-N 0 0 434.627 4.153 40 0 IIABRN CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(CC(=O)N3CCCCC3)c21 ZINC000409133231 556968183 /nfs/dbraw/zinc/96/81/83/556968183.db2.gz PKKWREVRIGKYQW-UYRXBGFRSA-N 0 0 425.554 4.272 40 0 IIABRN CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)c2ccccc2)C1 ZINC000072395941 556968339 /nfs/dbraw/zinc/96/83/39/556968339.db2.gz TYWJFXOMAIWCAB-AREMUKBSSA-N 0 0 431.536 4.251 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(F)cc2)cc1 ZINC000409137000 556969964 /nfs/dbraw/zinc/96/99/64/556969964.db2.gz ULWPHTVORBIDPG-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN CN(c1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1)S(C)(=O)=O ZINC000020044979 556972814 /nfs/dbraw/zinc/97/28/14/556972814.db2.gz VKBBBRAVRDCNBM-UHFFFAOYSA-N 0 0 433.382 4.261 40 0 IIABRN CCOC(=O)c1cc(NC(=O)c2ccccc2I)ccc1Cl ZINC000020051075 556974791 /nfs/dbraw/zinc/97/47/91/556974791.db2.gz QWJDYAUYKAAQJH-UHFFFAOYSA-N 0 0 429.641 4.374 40 0 IIABRN COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000020062081 556976522 /nfs/dbraw/zinc/97/65/22/556976522.db2.gz OSFXZGBVFQKGFI-UHFFFAOYSA-N 0 0 436.961 4.474 40 0 IIABRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccccc2C(C)C)S1(=O)=O ZINC000020064068 556977844 /nfs/dbraw/zinc/97/78/44/556977844.db2.gz BHRNGMMMUJADPQ-UHFFFAOYSA-N 0 0 444.553 4.367 40 0 IIABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000409154709 556979108 /nfs/dbraw/zinc/97/91/08/556979108.db2.gz OFZINNZHXJFDCW-MOSHPQCFSA-N 0 0 440.521 4.467 40 0 IIABRN CCOC(=O)[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O)c1ccccc1 ZINC000015307437 556979515 /nfs/dbraw/zinc/97/95/15/556979515.db2.gz AVBGSACJNGIEAU-JOCHJYFZSA-N 0 0 443.455 4.257 40 0 IIABRN O=C(CCc1ccccc1)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 ZINC000257205940 556980228 /nfs/dbraw/zinc/98/02/28/556980228.db2.gz BBDUJFATFMEHLM-QAQDUYKDSA-N 0 0 431.462 4.166 40 0 IIABRN COc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)c2ccccc12 ZINC000257203945 556980443 /nfs/dbraw/zinc/98/04/43/556980443.db2.gz ASHRTBDDWKHIAO-QAQDUYKDSA-N 0 0 443.507 4.392 40 0 IIABRN C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCc1ccc(Cl)cc1)[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000257209649 556981485 /nfs/dbraw/zinc/98/14/85/556981485.db2.gz BRIDOPIBKLNWKD-RWAOCCGBSA-N 0 0 437.971 4.377 40 0 IIABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)cc1 ZINC000409164245 556981702 /nfs/dbraw/zinc/98/17/02/556981702.db2.gz FLWNILZXCBXYRJ-NDENLUEZSA-N 0 0 440.521 4.405 40 0 IIABRN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000409165161 556982006 /nfs/dbraw/zinc/98/20/06/556982006.db2.gz UBLCWKBZIYZXLP-UHFFFAOYSA-N 0 0 447.358 4.292 40 0 IIABRN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000409174385 556984992 /nfs/dbraw/zinc/98/49/92/556984992.db2.gz RTWGGKIETJOVDW-UHFFFAOYSA-N 0 0 429.369 4.499 40 0 IIABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(OC)c1 ZINC000409176758 556986222 /nfs/dbraw/zinc/98/62/22/556986222.db2.gz WTIVPWLJVIENNS-QGMBQPNBSA-N 0 0 446.912 4.341 40 0 IIABRN 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Cc1ccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 ZINC000219629573 557260671 /nfs/dbraw/zinc/26/06/71/557260671.db2.gz PMFNMYPCHWWJHX-NRFANRHFSA-N 0 0 444.597 4.268 40 0 IIABRN O=C(CN1CCC(O)(CN2CCCc3ccccc32)CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000057775038 557264951 /nfs/dbraw/zinc/26/49/51/557264951.db2.gz CTLXSZCJIRFSCF-UHFFFAOYSA-N 0 0 436.640 4.442 40 0 IIABRN O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000219755667 557266891 /nfs/dbraw/zinc/26/68/91/557266891.db2.gz CTJVRFUGMRKVFL-NRFANRHFSA-N 0 0 448.972 4.453 40 0 IIABRN CCc1nc2sc(C)c(C)c2c(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)n1 ZINC000013027921 557271404 /nfs/dbraw/zinc/27/14/04/557271404.db2.gz WUPIYPJHSDCVLV-UHFFFAOYSA-N 0 0 436.584 4.153 40 0 IIABRN CCOc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022928638 557271932 /nfs/dbraw/zinc/27/19/32/557271932.db2.gz ITNCZVSKMOSHLD-RUZDIDTESA-N 0 0 446.599 4.094 40 0 IIABRN CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)c2ccc(F)cc2)CC1 ZINC000100732549 557272923 /nfs/dbraw/zinc/27/29/23/557272923.db2.gz SDZHTWKOMNPHBH-WMQCIHAUSA-N 0 0 427.520 4.194 40 0 IIABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)COc3cccnc3)CC2)on1 ZINC000100743841 557274917 /nfs/dbraw/zinc/27/49/17/557274917.db2.gz WCGJIZZBTLMADT-KDURUIRLSA-N 0 0 449.555 4.427 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000220041236 557278027 /nfs/dbraw/zinc/27/80/27/557278027.db2.gz DJBYRUGKUUSCCV-UHFFFAOYSA-N 0 0 441.258 4.417 40 0 IIABRN CCCCc1ccc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 ZINC000220046070 557278336 /nfs/dbraw/zinc/27/83/36/557278336.db2.gz YSUHMEPMEIUIFG-UHFFFAOYSA-N 0 0 428.476 4.453 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220148010 557282680 /nfs/dbraw/zinc/28/26/80/557282680.db2.gz RSQMWSYDVDOPOK-AVRDEDQJSA-N 0 0 432.586 4.062 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000220200306 557285008 /nfs/dbraw/zinc/28/50/08/557285008.db2.gz KQJLXDZLIWUVDD-HZPDHXFCSA-N 0 0 442.503 4.354 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000220203449 557285497 /nfs/dbraw/zinc/28/54/97/557285497.db2.gz ABPOAWBISDDFCZ-CABCVRRESA-N 0 0 428.476 4.046 40 0 IIABRN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220301030 557290611 /nfs/dbraw/zinc/29/06/11/557290611.db2.gz YFVBYHCJAOPHBU-KRWDZBQOSA-N 0 0 442.512 4.198 40 0 IIABRN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220301106 557290621 /nfs/dbraw/zinc/29/06/21/557290621.db2.gz YFVBYHCJAOPHBU-QGZVFWFLSA-N 0 0 442.512 4.198 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2)cc1 ZINC000260566860 557292447 /nfs/dbraw/zinc/29/24/47/557292447.db2.gz YSPJEXLPOSQOBV-QGZVFWFLSA-N 0 0 436.533 4.112 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl ZINC000220354718 557292622 /nfs/dbraw/zinc/29/26/22/557292622.db2.gz GHXGTJNMJYSCPK-LBPRGKRZSA-N 0 0 434.867 4.460 40 0 IIABRN Oc1c2c(-c3ccco3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 ZINC000101460704 557292813 /nfs/dbraw/zinc/29/28/13/557292813.db2.gz QSSJXNLYJCALBQ-IEBWSBKVSA-N 0 0 426.259 4.369 40 0 IIABRN Cc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220437913 557295184 /nfs/dbraw/zinc/29/51/84/557295184.db2.gz PPYFDQQTEXMMTD-HNNXBMFYSA-N 0 0 443.396 4.205 40 0 IIABRN C[C@@H](C(=O)N1CCCc2ccccc21)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220436761 557295190 /nfs/dbraw/zinc/29/51/90/557295190.db2.gz WJIIZZMXNHTQHU-ZDUSSCGKSA-N 0 0 427.353 4.127 40 0 IIABRN C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220439533 557295407 /nfs/dbraw/zinc/29/54/07/557295407.db2.gz MNXVPIFIGCMOAH-BFUOFWGJSA-N 0 0 441.380 4.342 40 0 IIABRN C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220479259 557296958 /nfs/dbraw/zinc/29/69/58/557296958.db2.gz WOFUVTVCFMCOAH-INIZCTEOSA-N 0 0 428.485 4.411 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220512551 557298505 /nfs/dbraw/zinc/29/85/05/557298505.db2.gz NGXPJFSGVPVGKL-NRFANRHFSA-N 0 0 446.569 4.135 40 0 IIABRN CC[C@H](C(=O)NCCCc1ccc(OC(C)C)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220519642 557298818 /nfs/dbraw/zinc/29/88/18/557298818.db2.gz ZEWAQBLGDOJIGE-HSZRJFAPSA-N 0 0 446.613 4.076 40 0 IIABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083495 557299605 /nfs/dbraw/zinc/29/96/05/557299605.db2.gz VTADDFWOXHHIIK-UHFFFAOYSA-N 0 0 432.933 4.366 40 0 IIABRN CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220539006 557299642 /nfs/dbraw/zinc/29/96/42/557299642.db2.gz FLJASPXNOTUVDZ-QHCPKHFHSA-N 0 0 442.625 4.329 40 0 IIABRN CC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220535151 557299676 /nfs/dbraw/zinc/29/96/76/557299676.db2.gz HYFNWEUYKRCCRP-GOSISDBHSA-N 0 0 443.396 4.471 40 0 IIABRN CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220579089 557301573 /nfs/dbraw/zinc/30/15/73/557301573.db2.gz ABTOOSAJAYSHEB-RTWAWAEBSA-N 0 0 444.597 4.267 40 0 IIABRN CC[C@@H](NC(=O)[C@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220634059 557303817 /nfs/dbraw/zinc/30/38/17/557303817.db2.gz ZKNXHAHHBZHFLV-YADHBBJMSA-N 0 0 432.586 4.124 40 0 IIABRN CCOc1ccc(N([C@@H](CC)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220670794 557305362 /nfs/dbraw/zinc/30/53/62/557305362.db2.gz KGENNDSPBRMYKQ-SFHVURJKSA-N 0 0 428.913 4.061 40 0 IIABRN Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000102754690 557307562 /nfs/dbraw/zinc/30/75/62/557307562.db2.gz OCUDQRFWECVJDI-KJJMTIBFSA-N 0 0 439.519 4.188 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220704467 557308762 /nfs/dbraw/zinc/30/87/62/557308762.db2.gz FSOLSINQWLFCNO-INIZCTEOSA-N 0 0 437.295 4.455 40 0 IIABRN CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220723698 557309695 /nfs/dbraw/zinc/30/96/95/557309695.db2.gz WSZGXHBJNWYZCA-RDTXWAMCSA-N 0 0 426.941 4.210 40 0 IIABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220723633 557309769 /nfs/dbraw/zinc/30/97/69/557309769.db2.gz WSZGXHBJNWYZCA-KDOFPFPSSA-N 0 0 426.941 4.210 40 0 IIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220745010 557311025 /nfs/dbraw/zinc/31/10/25/557311025.db2.gz REBJWBTVFGLXON-INIZCTEOSA-N 0 0 431.341 4.185 40 0 IIABRN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220749566 557311562 /nfs/dbraw/zinc/31/15/62/557311562.db2.gz WAEQRNGOSQCOKK-SFHVURJKSA-N 0 0 438.977 4.457 40 0 IIABRN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=C(C)c4cc(C)ccc4N3[C@@H](C(=O)c3cccs3)[C@@H]2C1=O ZINC000103458990 557315440 /nfs/dbraw/zinc/31/54/40/557315440.db2.gz QFBQOHYYDQZFSX-QJZMRSRYSA-N 0 0 434.561 4.313 40 0 IIABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000023566026 557315893 /nfs/dbraw/zinc/31/58/93/557315893.db2.gz PIQUNVAXCVNEDO-UHFFFAOYSA-N 0 0 446.554 4.066 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000023652583 557316436 /nfs/dbraw/zinc/31/64/36/557316436.db2.gz RSALASGAZIYNKP-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN CC(C)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000013501506 557324993 /nfs/dbraw/zinc/32/49/93/557324993.db2.gz NNJICSOPJRFTRF-UHFFFAOYSA-N 0 0 436.556 4.016 40 0 IIABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCC[C@@H](C)C4)n21)CCCC3 ZINC000013499906 557329376 /nfs/dbraw/zinc/32/93/76/557329376.db2.gz IIIFPXXIDTYYGN-CYBMUJFWSA-N 0 0 429.615 4.131 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000013511707 557332568 /nfs/dbraw/zinc/33/25/68/557332568.db2.gz ZMZCZUHTZLZQPK-QFIPXVFZSA-N 0 0 435.524 4.448 40 0 IIABRN COc1ccc(-c2noc([C@H]3[C@@H]4NC(=S)N[C@@]3(C)Oc3ccc5ccccc5c34)n2)cc1 ZINC000024834066 557334054 /nfs/dbraw/zinc/33/40/54/557334054.db2.gz ZZVRAXOYVHZOMM-REHUZNOOSA-N 0 0 444.516 4.310 40 0 IIABRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)Nc1cccc(O)c1 ZINC000013513107 557334063 /nfs/dbraw/zinc/33/40/63/557334063.db2.gz DHCZEZURHIVDRF-UHFFFAOYSA-N 0 0 437.912 4.419 40 0 IIABRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)Nc1nccs1 ZINC000013513306 557334538 /nfs/dbraw/zinc/33/45/38/557334538.db2.gz IZGAKRZQIVUDQC-UHFFFAOYSA-N 0 0 428.930 4.170 40 0 IIABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)S(C)(=O)=O)c1 ZINC000222386295 557337281 /nfs/dbraw/zinc/33/72/81/557337281.db2.gz LYVDSIJVMFKYKP-UHFFFAOYSA-N 0 0 448.588 4.468 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222389832 557337721 /nfs/dbraw/zinc/33/77/21/557337721.db2.gz HXIZQLIPSLBYNJ-IBGZPJMESA-N 0 0 443.547 4.052 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl ZINC000222476640 557342088 /nfs/dbraw/zinc/34/20/88/557342088.db2.gz DTIHJCLUYCMSAP-LAUBAEHRSA-N 0 0 446.975 4.450 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1Cl ZINC000222491465 557343188 /nfs/dbraw/zinc/34/31/88/557343188.db2.gz ZMQIDULOOXWOAC-CQSZACIVSA-N 0 0 425.381 4.390 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000222494122 557343780 /nfs/dbraw/zinc/34/37/80/557343780.db2.gz BLHVWGFIJPQZTK-WMZHIEFXSA-N 0 0 440.584 4.413 40 0 IIABRN CCOc1ccc(C(=O)CSc2nnc(-c3ccccn3)c(-c3ccccn3)n2)cc1 ZINC000013566527 557345233 /nfs/dbraw/zinc/34/52/33/557345233.db2.gz NXUGKEUQHLHMSU-UHFFFAOYSA-N 0 0 429.505 4.369 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 ZINC000222522946 557347292 /nfs/dbraw/zinc/34/72/92/557347292.db2.gz SAJDOSHWEFDWBG-FQEVSTJZSA-N 0 0 438.977 4.262 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 ZINC000222523004 557347350 /nfs/dbraw/zinc/34/73/50/557347350.db2.gz CSUAGDGJFIYZKL-RUZDIDTESA-N 0 0 432.539 4.453 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 ZINC000222522922 557347354 /nfs/dbraw/zinc/34/73/54/557347354.db2.gz MCJXOLAKUWITJC-QHCPKHFHSA-N 0 0 438.930 4.408 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 ZINC000222526357 557347514 /nfs/dbraw/zinc/34/75/14/557347514.db2.gz PYRIPONKDSUBFD-VWLOTQADSA-N 0 0 432.539 4.371 40 0 IIABRN O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000013569986 557347833 /nfs/dbraw/zinc/34/78/33/557347833.db2.gz HKZRWCXVJIHRAC-UHFFFAOYSA-N 0 0 446.488 4.493 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 ZINC000222542101 557349151 /nfs/dbraw/zinc/34/91/51/557349151.db2.gz RDLVUWQTZKAFHH-HSZRJFAPSA-N 0 0 436.552 4.304 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 ZINC000222554456 557350722 /nfs/dbraw/zinc/35/07/22/557350722.db2.gz JZPIOPAOANDUQM-AUSIDOKSSA-N 0 0 426.557 4.105 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 ZINC000222554580 557350769 /nfs/dbraw/zinc/35/07/69/557350769.db2.gz JZPIOPAOANDUQM-XXBNENTESA-N 0 0 426.557 4.105 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000222557788 557351583 /nfs/dbraw/zinc/35/15/83/557351583.db2.gz GMEFBBYWHNEIGK-UHFFFAOYSA-N 0 0 446.569 4.137 40 0 IIABRN COc1ccc(C)cc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000044792633 557351773 /nfs/dbraw/zinc/35/17/73/557351773.db2.gz HNQLRGFHURSGSP-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN COc1ccc(-c2nsc3c2ncnc3SCC(=O)N2CCc3ccccc3C2)cc1 ZINC000013561710 557351994 /nfs/dbraw/zinc/35/19/94/557351994.db2.gz PIVWWCLKUCSWBG-UHFFFAOYSA-N 0 0 448.573 4.439 40 0 IIABRN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000013563329 557353766 /nfs/dbraw/zinc/35/37/66/557353766.db2.gz LZUPCZNABUMCHK-DEOSSOPVSA-N 0 0 448.588 4.134 40 0 IIABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1N1CCCCS1(=O)=O ZINC000222573276 557354497 /nfs/dbraw/zinc/35/44/97/557354497.db2.gz YJAIIOPYDSTRLF-UHFFFAOYSA-N 0 0 448.544 4.408 40 0 IIABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC)cc1OCC ZINC000222575667 557354753 /nfs/dbraw/zinc/35/47/53/557354753.db2.gz WGAOEJWJMMAPQI-QGZVFWFLSA-N 0 0 446.975 4.233 40 0 IIABRN Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(I)cc1 ZINC000222580836 557355693 /nfs/dbraw/zinc/35/56/93/557355693.db2.gz XPQJMJJEVSYBAJ-UHFFFAOYSA-N 0 0 433.224 4.448 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000222592504 557357898 /nfs/dbraw/zinc/35/78/98/557357898.db2.gz GEYOEYTZGSOLRQ-ZDUSSCGKSA-N 0 0 429.369 4.199 40 0 IIABRN Cc1ccc(CSCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000222628968 557365259 /nfs/dbraw/zinc/36/52/59/557365259.db2.gz RVIBXJWFCFCOMI-UHFFFAOYSA-N 0 0 448.654 4.208 40 0 IIABRN Cc1cccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1C ZINC000222630567 557365464 /nfs/dbraw/zinc/36/54/64/557365464.db2.gz QVXUTOZPLZBUJD-UHFFFAOYSA-N 0 0 442.625 4.331 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000222634645 557366202 /nfs/dbraw/zinc/36/62/02/557366202.db2.gz VMXATACVADKHSR-LBPRGKRZSA-N 0 0 429.731 4.189 40 0 IIABRN CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCc2ccccc2)CC1 ZINC000072345013 557377117 /nfs/dbraw/zinc/37/71/17/557377117.db2.gz WCWRRTGCKFUYBA-UHFFFAOYSA-N 0 0 441.575 4.279 40 0 IIABRN CCOC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000113888232 557378477 /nfs/dbraw/zinc/37/84/77/557378477.db2.gz ZJPXWLPUDQCWJU-UHFFFAOYSA-N 0 0 435.851 4.426 40 0 IIABRN COC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113888061 557378576 /nfs/dbraw/zinc/37/85/76/557378576.db2.gz IIZWCPZUIDMXPY-UHFFFAOYSA-N 0 0 442.242 4.381 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000113962647 557382412 /nfs/dbraw/zinc/38/24/12/557382412.db2.gz RPUDAGKXEQTANN-UHFFFAOYSA-N 0 0 436.402 4.169 40 0 IIABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 ZINC000113963940 557382946 /nfs/dbraw/zinc/38/29/46/557382946.db2.gz QQVAEAIVOIIABG-UHFFFAOYSA-N 0 0 440.540 4.339 40 0 IIABRN CCOc1ccccc1N(Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1)S(C)(=O)=O ZINC000113963735 557383001 /nfs/dbraw/zinc/38/30/01/557383001.db2.gz IFLMKWCIENLTCM-UHFFFAOYSA-N 0 0 446.613 4.462 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccc(C)c3)c(C)c2)cc1 ZINC000222762465 557384182 /nfs/dbraw/zinc/38/41/82/557384182.db2.gz PEHLTOBEQVNBTI-UHFFFAOYSA-N 0 0 438.549 4.108 40 0 IIABRN CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCc3ccccc3)C2)c1 ZINC000072358660 557387694 /nfs/dbraw/zinc/38/76/94/557387694.db2.gz COMXGNBBBWJINL-QFIPXVFZSA-N 0 0 428.536 4.441 40 0 IIABRN CN(CCc1ccccn1)C(=O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 ZINC000072356285 557387753 /nfs/dbraw/zinc/38/77/53/557387753.db2.gz RIBBUUHFUJGORI-HSZRJFAPSA-N 0 0 427.548 4.132 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000222832895 557391575 /nfs/dbraw/zinc/39/15/75/557391575.db2.gz FAPGBKZBMSZOSD-HSZRJFAPSA-N 0 0 426.557 4.023 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222836831 557391948 /nfs/dbraw/zinc/39/19/48/557391948.db2.gz ISKWGVOEZVHNME-JOCHJYFZSA-N 0 0 446.975 4.368 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000222837517 557392149 /nfs/dbraw/zinc/39/21/49/557392149.db2.gz PLQMUSRYLRAQQL-QHCPKHFHSA-N 0 0 440.584 4.331 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C ZINC000222847229 557393477 /nfs/dbraw/zinc/39/34/77/557393477.db2.gz OABJYMSYIQWQAO-QFIPXVFZSA-N 0 0 426.557 4.023 40 0 IIABRN O=C(NCc1cccc2ccccc21)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000222856359 557394989 /nfs/dbraw/zinc/39/49/89/557394989.db2.gz MHNMHOPQDFINPZ-UHFFFAOYSA-N 0 0 428.941 4.208 40 0 IIABRN C[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000222864109 557395757 /nfs/dbraw/zinc/39/57/57/557395757.db2.gz UEFOQIFTTCCZSH-IBGZPJMESA-N 0 0 434.561 4.076 40 0 IIABRN CCc1ccc(O[C@H](CC)C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000222902502 557400942 /nfs/dbraw/zinc/40/09/42/557400942.db2.gz KERBBBUQCQRRKP-HXUWFJFHSA-N 0 0 439.512 4.132 40 0 IIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000013995425 557401968 /nfs/dbraw/zinc/40/19/68/557401968.db2.gz QEYUZLPWQTXZRV-LHSJRXKWSA-N 0 0 439.537 4.370 40 0 IIABRN C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222925579 557403901 /nfs/dbraw/zinc/40/39/01/557403901.db2.gz MYHXGDQLPDWOEM-QGZVFWFLSA-N 0 0 439.918 4.150 40 0 IIABRN CC(C)c1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222961898 557408801 /nfs/dbraw/zinc/40/88/01/557408801.db2.gz CLTYTNXQNLYLFA-SFHVURJKSA-N 0 0 428.598 4.332 40 0 IIABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000222974568 557410079 /nfs/dbraw/zinc/41/00/79/557410079.db2.gz ITGIYOSCAISMOC-LJQANCHMSA-N 0 0 439.512 4.187 40 0 IIABRN O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000033543462 557410258 /nfs/dbraw/zinc/41/02/58/557410258.db2.gz MPLKNCNMIMMSAN-GEBKJHSDSA-N 0 0 425.485 4.011 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccc(C)cc1 ZINC000222986008 557412323 /nfs/dbraw/zinc/41/23/23/557412323.db2.gz FKGAADVHVWEJRN-INIZCTEOSA-N 0 0 449.414 4.403 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000223004732 557414516 /nfs/dbraw/zinc/41/45/16/557414516.db2.gz FTWPPKHXPVREFW-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)cc1 ZINC000223008085 557414665 /nfs/dbraw/zinc/41/46/65/557414665.db2.gz OBKRXJMYJSCZOT-WMZHIEFXSA-N 0 0 440.609 4.152 40 0 IIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000223024223 557416711 /nfs/dbraw/zinc/41/67/11/557416711.db2.gz CPJOPZIIISXDJU-NHCUHLMSSA-N 0 0 426.973 4.453 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223037034 557419149 /nfs/dbraw/zinc/41/91/49/557419149.db2.gz ULLMUEUZMHMUMI-FQEVSTJZSA-N 0 0 434.989 4.252 40 0 IIABRN CC[C@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223041308 557419931 /nfs/dbraw/zinc/41/99/31/557419931.db2.gz CPQBFXNDASIFLR-QFIPXVFZSA-N 0 0 428.598 4.216 40 0 IIABRN COc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223046123 557420553 /nfs/dbraw/zinc/42/05/53/557420553.db2.gz NAQVWWYZPAEFMF-IBGZPJMESA-N 0 0 426.557 4.023 40 0 IIABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)cc1 ZINC000223051162 557421581 /nfs/dbraw/zinc/42/15/81/557421581.db2.gz AZRHTROECLEPGM-AREMUKBSSA-N 0 0 444.575 4.404 40 0 IIABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000223052290 557421786 /nfs/dbraw/zinc/42/17/86/557421786.db2.gz RWYWDABBBDWDKW-HSZRJFAPSA-N 0 0 444.531 4.082 40 0 IIABRN COc1ccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223061308 557423710 /nfs/dbraw/zinc/42/37/10/557423710.db2.gz PKZNZDODIHBUQQ-SFHVURJKSA-N 0 0 428.598 4.260 40 0 IIABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223062476 557423988 /nfs/dbraw/zinc/42/39/88/557423988.db2.gz QXEZOOGZRJMHIO-SANMLTNESA-N 0 0 444.575 4.022 40 0 IIABRN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000014162568 557424716 /nfs/dbraw/zinc/42/47/16/557424716.db2.gz WJGUHOBJWGYVAM-FQEVSTJZSA-N 0 0 449.503 4.476 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223077647 557427222 /nfs/dbraw/zinc/42/72/22/557427222.db2.gz PUIFCOALGLZTJP-OAQYLSRUSA-N 0 0 440.584 4.496 40 0 IIABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223080116 557427407 /nfs/dbraw/zinc/42/74/07/557427407.db2.gz ZMAKRXKANMZUHP-UHFFFAOYSA-N 0 0 432.451 4.442 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000223079304 557427493 /nfs/dbraw/zinc/42/74/93/557427493.db2.gz XBKYSNOJVHIZMX-ZHZULCJRSA-N 0 0 438.505 4.184 40 0 IIABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)n2)c1 ZINC000223080259 557427717 /nfs/dbraw/zinc/42/77/17/557427717.db2.gz GKLKNBYVIYKYPO-UHFFFAOYSA-N 0 0 445.541 4.006 40 0 IIABRN COc1ccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223084220 557428664 /nfs/dbraw/zinc/42/86/64/557428664.db2.gz FDHOLADEAIPJGI-FQEVSTJZSA-N 0 0 440.584 4.331 40 0 IIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C ZINC000014269717 557428939 /nfs/dbraw/zinc/42/89/39/557428939.db2.gz IARUMPZMNRVKNE-UHFFFAOYSA-N 0 0 445.548 4.481 40 0 IIABRN COc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223092064 557430166 /nfs/dbraw/zinc/43/01/66/557430166.db2.gz LRBSOKIKPQIUSI-IBGZPJMESA-N 0 0 426.557 4.023 40 0 IIABRN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000014270965 557430260 /nfs/dbraw/zinc/43/02/60/557430260.db2.gz ISTZWWNSRJGMPF-UHFFFAOYSA-N 0 0 449.511 4.394 40 0 IIABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccnc1Cl ZINC000014273593 557433288 /nfs/dbraw/zinc/43/32/88/557433288.db2.gz BTHAENVWMXUAMJ-UHFFFAOYSA-N 0 0 445.306 4.196 40 0 IIABRN CCOc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000014291117 557433945 /nfs/dbraw/zinc/43/39/45/557433945.db2.gz HCEVYXAFTZOQKC-UHFFFAOYSA-N 0 0 429.948 4.296 40 0 IIABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000014291372 557434516 /nfs/dbraw/zinc/43/45/16/557434516.db2.gz SNGSHGQTDNYHAR-UHFFFAOYSA-N 0 0 443.916 4.149 40 0 IIABRN Cc1cc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1Cl ZINC000223121920 557434577 /nfs/dbraw/zinc/43/45/77/557434577.db2.gz PVBGBTSRZIPPNW-SFHVURJKSA-N 0 0 430.976 4.402 40 0 IIABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223132948 557436723 /nfs/dbraw/zinc/43/67/23/557436723.db2.gz NLLYOVWQOQWDSU-PKTZIBPZSA-N 0 0 442.987 4.231 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223142862 557438481 /nfs/dbraw/zinc/43/84/81/557438481.db2.gz QXFXEDMWSGDSEH-XMMPIXPASA-N 0 0 440.609 4.234 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC ZINC000223144023 557438491 /nfs/dbraw/zinc/43/84/91/557438491.db2.gz OUVCTSJPHWGZLO-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000223170694 557441352 /nfs/dbraw/zinc/44/13/52/557441352.db2.gz ODWRQQTZSUVZDM-LSOGNMMWSA-N 0 0 448.519 4.205 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223188234 557443136 /nfs/dbraw/zinc/44/31/36/557443136.db2.gz HAWZZQRGQLYVHA-KRWDZBQOSA-N 0 0 444.959 4.335 40 0 IIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000223189302 557443417 /nfs/dbraw/zinc/44/34/17/557443417.db2.gz SWEHVRVKPLQBNS-JWGURIENSA-N 0 0 429.476 4.124 40 0 IIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223199028 557444981 /nfs/dbraw/zinc/44/49/81/557444981.db2.gz NPKUSHNGISEUCY-DEOSSOPVSA-N 0 0 433.527 4.277 40 0 IIABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccccc2)cc1 ZINC000014413126 557445182 /nfs/dbraw/zinc/44/51/82/557445182.db2.gz BFCPNTGRBOBHDV-LYBHJNIJSA-N 0 0 442.515 4.347 40 0 IIABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C(=O)N1CCCC1 ZINC000223212459 557446781 /nfs/dbraw/zinc/44/67/81/557446781.db2.gz CLIMMCRHAACCCV-MRXNPFEDSA-N 0 0 444.622 4.173 40 0 IIABRN C[C@@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc4c(c3)OCCO4)c3cccc1c32 ZINC000014671827 557449038 /nfs/dbraw/zinc/44/90/38/557449038.db2.gz ZKRMYSWKIVRADP-JBEBIEQOSA-N 0 0 436.533 4.023 40 0 IIABRN CSc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C(=O)N1CCC(C)CC1 ZINC000026119136 557450269 /nfs/dbraw/zinc/45/02/69/557450269.db2.gz WRMZABMWNBMYIR-UHFFFAOYSA-N 0 0 440.537 4.360 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223270397 557454103 /nfs/dbraw/zinc/45/41/03/557454103.db2.gz AHVZLNNDOTVUTH-QFIPXVFZSA-N 0 0 426.557 4.105 40 0 IIABRN CCc1ccc(N(CC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1 ZINC000223293339 557456575 /nfs/dbraw/zinc/45/65/75/557456575.db2.gz UZDJFUFQEOIPTM-SFHVURJKSA-N 0 0 446.613 4.333 40 0 IIABRN COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000015049601 557457483 /nfs/dbraw/zinc/45/74/83/557457483.db2.gz ZOIMTUIIBHAYOS-SXGWCWSVSA-N 0 0 436.411 4.389 40 0 IIABRN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000015049571 557457582 /nfs/dbraw/zinc/45/75/82/557457582.db2.gz JZUYSZGNZQJDFO-SXGWCWSVSA-N 0 0 436.411 4.389 40 0 IIABRN O=C(COc1ccc(Br)cc1Cl)NCC1(c2ccccc2)CCOCC1 ZINC000223308270 557457717 /nfs/dbraw/zinc/45/77/17/557457717.db2.gz XLFLWDRKAUQRMG-UHFFFAOYSA-N 0 0 438.749 4.346 40 0 IIABRN CCOc1ccc(N([C@@H](CC)C(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 ZINC000223323170 557459305 /nfs/dbraw/zinc/45/93/05/557459305.db2.gz RHMPWHJOMJCUOS-QHCPKHFHSA-N 0 0 446.613 4.071 40 0 IIABRN Cc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015352418 557461290 /nfs/dbraw/zinc/46/12/90/557461290.db2.gz CJWWUAFJPWRPDO-UHFFFAOYSA-N 0 0 428.941 4.478 40 0 IIABRN COc1ccc(Br)cc1S(=O)(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000223365734 557463273 /nfs/dbraw/zinc/46/32/73/557463273.db2.gz LFNJDBAUXBMYGF-UHFFFAOYSA-N 0 0 442.375 4.156 40 0 IIABRN O=C(COc1cccc2ccccc21)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000015787699 557463688 /nfs/dbraw/zinc/46/36/88/557463688.db2.gz AVKFKWFBXOZGGE-UHFFFAOYSA-N 0 0 436.380 4.263 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223375267 557464262 /nfs/dbraw/zinc/46/42/62/557464262.db2.gz PIBZBWOXHYMKMD-HXUWFJFHSA-N 0 0 434.989 4.384 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(C)C ZINC000223389510 557466078 /nfs/dbraw/zinc/46/60/78/557466078.db2.gz FLCWUWWDVSPQRL-SFHVURJKSA-N 0 0 444.597 4.403 40 0 IIABRN Cc1ccc(C)c(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccn2)c1 ZINC000015935865 557467043 /nfs/dbraw/zinc/46/70/43/557467043.db2.gz FAJKLXBKFZPYNC-JOCHJYFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1ccc(C)c(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)c1 ZINC000015935866 557467057 /nfs/dbraw/zinc/46/70/57/557467057.db2.gz FAJKLXBKFZPYNC-QFIPXVFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1ccccc1N(C(=O)c1ccccn1)[C@@H](C(=O)NCc1ccccc1)c1ccncc1 ZINC000015935708 557467087 /nfs/dbraw/zinc/46/70/87/557467087.db2.gz LOXSAWPMJKUJBB-RUZDIDTESA-N 0 0 436.515 4.490 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1C ZINC000223408032 557468337 /nfs/dbraw/zinc/46/83/37/557468337.db2.gz TYKUIODWIWBIPJ-DEOSSOPVSA-N 0 0 448.538 4.289 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C ZINC000223413960 557468991 /nfs/dbraw/zinc/46/89/91/557468991.db2.gz ILXOCUJOCNQHOJ-MRXNPFEDSA-N 0 0 442.503 4.274 40 0 IIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000033591208 557469209 /nfs/dbraw/zinc/46/92/09/557469209.db2.gz WCODDVQDSJMYPO-HNNXBMFYSA-N 0 0 439.331 4.234 40 0 IIABRN COC(=O)c1ccc(N[C@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000223418551 557469719 /nfs/dbraw/zinc/46/97/19/557469719.db2.gz QNQFRAAAUSRUKA-MRXNPFEDSA-N 0 0 440.521 4.456 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCc2ccncc2)cc1 ZINC000223422573 557470497 /nfs/dbraw/zinc/47/04/97/557470497.db2.gz AXFYHASWUMMRBO-UHFFFAOYSA-N 0 0 439.537 4.368 40 0 IIABRN CCOCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000223423324 557470529 /nfs/dbraw/zinc/47/05/29/557470529.db2.gz XRCYRIQCWTVBNE-UHFFFAOYSA-N 0 0 434.558 4.200 40 0 IIABRN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=O)c1 ZINC000016349675 557472431 /nfs/dbraw/zinc/47/24/31/557472431.db2.gz HDNXYBYRSXYWAO-UHFFFAOYSA-N 0 0 427.092 4.350 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl ZINC000223456377 557474157 /nfs/dbraw/zinc/47/41/57/557474157.db2.gz OHIJHUYSZAPWNP-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223471472 557475882 /nfs/dbraw/zinc/47/58/82/557475882.db2.gz WQPATKFSTCLVEG-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1C ZINC000223485146 557477875 /nfs/dbraw/zinc/47/78/75/557477875.db2.gz HACWZJKAWLMATC-KRWDZBQOSA-N 0 0 438.540 4.314 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccncc1 ZINC000223483966 557477897 /nfs/dbraw/zinc/47/78/97/557477897.db2.gz RQTYXFPVKMOJPJ-DLBZAZTESA-N 0 0 431.384 4.473 40 0 IIABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000017097586 557479449 /nfs/dbraw/zinc/47/94/49/557479449.db2.gz SLZHDLHLJQHYJY-UHFFFAOYSA-N 0 0 431.521 4.118 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000223502255 557479686 /nfs/dbraw/zinc/47/96/86/557479686.db2.gz VOAFEVZVDJIDTH-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223508042 557480467 /nfs/dbraw/zinc/48/04/67/557480467.db2.gz VTGQKOYAVMANOX-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223508097 557480482 /nfs/dbraw/zinc/48/04/82/557480482.db2.gz VTGQKOYAVMANOX-RPWUZVMVSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223508274 557480510 /nfs/dbraw/zinc/48/05/10/557480510.db2.gz ZLQVKEZDWJCQLN-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000223512738 557481144 /nfs/dbraw/zinc/48/11/44/557481144.db2.gz ZBNFVZSWVPHQBN-CYBMUJFWSA-N 0 0 429.369 4.199 40 0 IIABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc2c(c1)OCO2 ZINC000017098889 557481983 /nfs/dbraw/zinc/48/19/83/557481983.db2.gz LBERGFOLKNLALX-DEOSSOPVSA-N 0 0 434.517 4.199 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000223530648 557482584 /nfs/dbraw/zinc/48/25/84/557482584.db2.gz DJBDUCDXFOVOIT-CYBMUJFWSA-N 0 0 429.369 4.199 40 0 IIABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223548111 557484468 /nfs/dbraw/zinc/48/44/68/557484468.db2.gz ZXQZPEGXPCUACA-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NC1=NCCS1 ZINC000017094755 557485131 /nfs/dbraw/zinc/48/51/31/557485131.db2.gz HWUPSMAXMGMMIG-DUXPYHPUSA-N 0 0 426.350 4.360 40 0 IIABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000017096096 557487834 /nfs/dbraw/zinc/48/78/34/557487834.db2.gz SAYDOCOLJCXWLP-UHFFFAOYSA-N 0 0 428.577 4.007 40 0 IIABRN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223612125 557491818 /nfs/dbraw/zinc/49/18/18/557491818.db2.gz DDVCZGBUINRLSW-QGZVFWFLSA-N 0 0 448.894 4.220 40 0 IIABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223612641 557491831 /nfs/dbraw/zinc/49/18/31/557491831.db2.gz GIUPLGOVNSTQQQ-SFTDATJTSA-N 0 0 425.579 4.489 40 0 IIABRN Cc1cc(C)cc(N(CCCC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000223641220 557495463 /nfs/dbraw/zinc/49/54/63/557495463.db2.gz ZRGVKWZUKLSLNY-UHFFFAOYSA-N 0 0 442.503 4.185 40 0 IIABRN O=c1[nH]c2c(s1)[C@@H](c1cn(Cc3ccccc3)c3ccccc13)[C@H]1C(=O)NC(=O)[C@@H]1S2 ZINC000018157809 557496785 /nfs/dbraw/zinc/49/67/85/557496785.db2.gz ZGTBZPCBMVAHGQ-RCCFBDPRSA-N 0 0 447.541 4.159 40 0 IIABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000223655284 557497957 /nfs/dbraw/zinc/49/79/57/557497957.db2.gz CLFKAZCMARPFIZ-UHFFFAOYSA-N 0 0 442.324 4.014 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223666556 557499426 /nfs/dbraw/zinc/49/94/26/557499426.db2.gz MFEBGHYMJPCLBJ-NHCUHLMSSA-N 0 0 439.562 4.361 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000223673429 557500526 /nfs/dbraw/zinc/50/05/26/557500526.db2.gz NSOIFYBYTOVBFE-BJKOFHAPSA-N 0 0 448.592 4.333 40 0 IIABRN C[C@@H](CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000223688130 557502609 /nfs/dbraw/zinc/50/26/09/557502609.db2.gz QWCVUIHAVYOWBX-ZDUSSCGKSA-N 0 0 448.894 4.045 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223715225 557505365 /nfs/dbraw/zinc/50/53/65/557505365.db2.gz VHXITBHMZNXAHJ-NRFANRHFSA-N 0 0 438.568 4.113 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223729974 557506716 /nfs/dbraw/zinc/50/67/16/557506716.db2.gz BPYYNOYUXPUYIH-GOSISDBHSA-N 0 0 440.540 4.461 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000223731919 557506948 /nfs/dbraw/zinc/50/69/48/557506948.db2.gz DVEKYHMUUBFTIQ-VWLOTQADSA-N 0 0 430.548 4.014 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C ZINC000223730270 557507002 /nfs/dbraw/zinc/50/70/02/557507002.db2.gz IJUVULWYHDXQCD-GOTSBHOMSA-N 0 0 434.565 4.106 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 ZINC000223730572 557507015 /nfs/dbraw/zinc/50/70/15/557507015.db2.gz DUUUEFFTZZJOSM-XZOQPEGZSA-N 0 0 434.565 4.106 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223748968 557508895 /nfs/dbraw/zinc/50/88/95/557508895.db2.gz FFXZMBJNDJBJSS-MRXNPFEDSA-N 0 0 449.938 4.007 40 0 IIABRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 ZINC000223756851 557509699 /nfs/dbraw/zinc/50/96/99/557509699.db2.gz BYMBHBPRGOUFOM-UHFFFAOYSA-N 0 0 434.514 4.044 40 0 IIABRN COc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019947055 557511062 /nfs/dbraw/zinc/51/10/62/557511062.db2.gz FJQMQMYRYDCAIR-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223802349 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COc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000033789416 557810001 /nfs/dbraw/zinc/81/00/01/557810001.db2.gz PBMWLPSBQYKVAD-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2c3nsnc3ccc2C)cc1Cl ZINC000059437967 557820844 /nfs/dbraw/zinc/82/08/44/557820844.db2.gz ITVCGORNKNNIGC-UHFFFAOYSA-N 0 0 427.338 4.442 40 0 IIABRN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)NC[C@H]4CCCO4)sc3c2)c1 ZINC000059474860 557824413 /nfs/dbraw/zinc/82/44/13/557824413.db2.gz HAVHLUQMIJNQAY-QGZVFWFLSA-N 0 0 441.578 4.244 40 0 IIABRN C[C@@H]1CCCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCc3ccccc3)n2)C1 ZINC000260712538 557851156 /nfs/dbraw/zinc/85/11/56/557851156.db2.gz ITCLPDNTVHILAZ-KDURUIRLSA-N 0 0 438.645 4.436 40 0 IIABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000260772300 557854926 /nfs/dbraw/zinc/85/49/26/557854926.db2.gz WIDAPYWNAPSDKK-GHTZIAJQSA-N 0 0 432.586 4.042 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 ZINC000260795904 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QDBLQXWGUGQQGR-HOTGVXAUSA-N 0 0 434.989 4.251 40 0 IIABRN Cc1cccc(N(Cc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000260846216 557861970 /nfs/dbraw/zinc/86/19/70/557861970.db2.gz JFOLPHYASXOWSC-FQEVSTJZSA-N 0 0 436.577 4.495 40 0 IIABRN COc1cc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccccc4)c23)cc(OC)c1 ZINC000004278048 560198212 /nfs/dbraw/zinc/19/82/12/560198212.db2.gz OFNKMZMPWCAUEG-PKOBYXMFSA-N 0 0 445.519 4.184 40 0 biogenic,in-vitro IIABRN CC(C)c1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000005944947 562945483 /nfs/dbraw/zinc/94/54/83/562945483.db2.gz JJIWANBLYFIMJT-FQEVSTJZSA-N 0 0 437.569 4.359 40 0 IIABRN COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000260897596 568627815 /nfs/dbraw/zinc/62/78/15/568627815.db2.gz NGDLMGDODKGJOI-MRXNPFEDSA-N 0 0 438.977 4.013 40 0 IIABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000260901739 568628564 /nfs/dbraw/zinc/62/85/64/568628564.db2.gz NNBGCHGOJLZTEL-ICSRJNTNSA-N 0 0 428.598 4.262 40 0 IIABRN CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000260947552 568631670 /nfs/dbraw/zinc/63/16/70/568631670.db2.gz WHYVDDSNDOFXSV-QVKFZJNVSA-N 0 0 434.989 4.251 40 0 IIABRN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253597085 568643847 /nfs/dbraw/zinc/64/38/47/568643847.db2.gz ZUFRJXYMPGMUGG-BCYNXULASA-N 0 0 432.557 4.032 40 0 IIABRN Cc1ccsc1CN1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257201780 568666186 /nfs/dbraw/zinc/66/61/86/568666186.db2.gz AJASLVMRGAKAPB-NRFANRHFSA-N 0 0 437.613 4.264 40 0 IIABRN CCCN1CCN(C(=O)c2sc(C)nc2C)[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257202589 568666478 /nfs/dbraw/zinc/66/64/78/568666478.db2.gz AMMNUWMNUYGWPX-QFIPXVFZSA-N 0 0 448.592 4.128 40 0 IIABRN Cn1cc(-c2cc(C(=O)N3CCC[C@H](c4cccc(Cc5ccccc5)n4)C3)ccn2)cn1 ZINC000257211933 568670684 /nfs/dbraw/zinc/67/06/84/568670684.db2.gz CBDDEOXRNGTOEI-QFIPXVFZSA-N 0 0 437.547 4.488 40 0 IIABRN 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COCc1cc(CN2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)ccc1OC(C)C ZINC000257256341 568691601 /nfs/dbraw/zinc/69/16/01/568691601.db2.gz KLAIDDOCNCUNPN-VWLOTQADSA-N 0 0 434.540 4.046 40 0 IIABRN O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2cccc(Cc3c(F)cccc3F)n2)C1 ZINC000257256642 568691864 /nfs/dbraw/zinc/69/18/64/568691864.db2.gz KMILLZFFYASJHS-HSZRJFAPSA-N 0 0 426.438 4.232 40 0 IIABRN O=C(CCCNc1ncccn1)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257260669 568693198 /nfs/dbraw/zinc/69/31/98/568693198.db2.gz LDVGFCMXTYRHDZ-OAQYLSRUSA-N 0 0 436.947 4.067 40 0 IIABRN CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3ccccc3F)nn2c1C ZINC000257261004 568693638 /nfs/dbraw/zinc/69/36/38/568693638.db2.gz LFJJQZMNNOOJIM-QHCPKHFHSA-N 0 0 437.563 4.281 40 0 IIABRN Cc1cc(OC[C@@]2(CC(N)=O)CCCN(C(=O)c3ccccc3Cl)C2)ccc1Cl ZINC000257261241 568693801 /nfs/dbraw/zinc/69/38/01/568693801.db2.gz LGHVQEKAOCMZSI-JOCHJYFZSA-N 0 0 435.351 4.479 40 0 IIABRN Cc1cccc(CN2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)c1 ZINC000257265603 568695598 /nfs/dbraw/zinc/69/55/98/568695598.db2.gz LZJNNNBGLHEYCY-XMMPIXPASA-N 0 0 427.495 4.202 40 0 IIABRN O=C(c1cccs1)N1C[C@@H]2CCCCN(C(=O)c3cccc(Oc4ncccn4)c3)[C@@H]2C1 ZINC000257265996 568695952 /nfs/dbraw/zinc/69/59/52/568695952.db2.gz MBEHVZMQWZTDKP-AZUAARDMSA-N 0 0 448.548 4.097 40 0 IIABRN CC(C)N(Cc1ccccc1)C(=O)CN1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257268248 568696733 /nfs/dbraw/zinc/69/67/33/568696733.db2.gz MKVIQSPZDVFQPI-QHCPKHFHSA-N 0 0 445.567 4.031 40 0 IIABRN CC(C)N(C(=O)CN1CCO[C@@H](c2cncc(-c3ccccc3F)n2)C1)C1CCCCC1 ZINC000257268317 568696745 /nfs/dbraw/zinc/69/67/45/568696745.db2.gz MLDADQCGAKLOLZ-XMMPIXPASA-N 0 0 440.563 4.226 40 0 IIABRN Cc1nc([C@]2(O)CCCN(C(=O)C(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000257270123 568697480 /nfs/dbraw/zinc/69/74/80/568697480.db2.gz MSWHQCLQNZIOJD-QFIPXVFZSA-N 0 0 438.540 4.207 40 0 IIABRN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)nc1C ZINC000257272440 568698864 /nfs/dbraw/zinc/69/88/64/568698864.db2.gz NCKWZLBCWBHGJH-SFHVURJKSA-N 0 0 432.971 4.286 40 0 IIABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)c3cnccn3)CCO2)n1 ZINC000257274182 568699380 /nfs/dbraw/zinc/69/93/80/568699380.db2.gz NJWPEXXEBSPADE-OAQYLSRUSA-N 0 0 442.441 4.003 40 0 IIABRN CN1CCCc2cc(C(=O)N3CCC(c4cncc(Nc5ccccn5)n4)CC3)ccc21 ZINC000257276597 568700579 /nfs/dbraw/zinc/70/05/79/568700579.db2.gz NUKOSZRQXYSALD-UHFFFAOYSA-N 0 0 428.540 4.017 40 0 IIABRN CCn1cnc2cc(NC(=O)[C@]3(C)CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)ccc21 ZINC000257280458 568702401 /nfs/dbraw/zinc/70/24/01/568702401.db2.gz OKYXWHRTZLLMSA-RUZDIDTESA-N 0 0 444.539 4.122 40 0 IIABRN O=C(c1cccc2cccnc21)N1CCNC(=O)[C@@H]1Cc1ccc(-c2cccs2)cc1 ZINC000257280915 568702437 /nfs/dbraw/zinc/70/24/37/568702437.db2.gz OMYDGBVIJBWJGY-NRFANRHFSA-N 0 0 427.529 4.147 40 0 IIABRN CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)c4ncccc4C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257283465 568703974 /nfs/dbraw/zinc/70/39/74/568703974.db2.gz OYLLKODREHOVLF-RTCYWULBSA-N 0 0 431.580 4.395 40 0 IIABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)o1 ZINC000257289264 568706570 /nfs/dbraw/zinc/70/65/70/568706570.db2.gz PXVIGTFKLDNJCB-LJQANCHMSA-N 0 0 430.508 4.250 40 0 IIABRN COc1cccc(N(C)CCC(=O)N2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)c1 ZINC000257289366 568706579 /nfs/dbraw/zinc/70/65/79/568706579.db2.gz PYHGYVYQLFDQFE-QFIPXVFZSA-N 0 0 446.555 4.122 40 0 IIABRN COc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccc1OCc1ccccn1 ZINC000257290147 568706764 /nfs/dbraw/zinc/70/67/64/568706764.db2.gz QBTZYESHIRTJPL-WXFUMESZSA-N 0 0 444.531 4.314 40 0 IIABRN Cc1nonc1COc1ccccc1C(=O)N1CCC[C@H](Cc2nccn3cccc23)CC1 ZINC000257289936 568706819 /nfs/dbraw/zinc/70/68/19/568706819.db2.gz QAVWMNVJHMTSNI-IBGZPJMESA-N 0 0 445.523 4.090 40 0 IIABRN Cc1cnc(NC(=O)CN2CCC(c3cccc(Nc4nc(C)c(C)s4)n3)CC2)s1 ZINC000257292995 568708078 /nfs/dbraw/zinc/70/80/78/568708078.db2.gz QNSYSHZPBKIUFY-UHFFFAOYSA-N 0 0 442.614 4.482 40 0 IIABRN CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CCc2ccccc2)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257294273 568708687 /nfs/dbraw/zinc/70/86/87/568708687.db2.gz QTITVAJDDBVXDJ-NAZDKBRTSA-N 0 0 430.589 4.055 40 0 IIABRN Cc1nnsc1C(=O)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 ZINC000257296009 568709574 /nfs/dbraw/zinc/70/95/74/568709574.db2.gz RAUYLTYAOFJFHA-SFHVURJKSA-N 0 0 448.470 4.065 40 0 IIABRN CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC000257300111 568711444 /nfs/dbraw/zinc/71/14/44/568711444.db2.gz RSYHLCDJIAHVDO-UHFFFAOYSA-N 0 0 445.538 4.489 40 0 IIABRN CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)C3CCCC3)nn2c1C ZINC000257304492 568713273 /nfs/dbraw/zinc/71/32/73/568713273.db2.gz SLXSKJCPGCIVAX-JOCHJYFZSA-N 0 0 439.604 4.049 40 0 IIABRN O=C(CN1CCCCCC1=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257304971 568713547 /nfs/dbraw/zinc/71/35/47/568713547.db2.gz SNXLFJSPBZRGCL-SFHVURJKSA-N 0 0 429.948 4.027 40 0 IIABRN CN(CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1)Cc1ccccn1 ZINC000257308336 568714940 /nfs/dbraw/zinc/71/49/40/568714940.db2.gz TWJOTRZARBEKRK-IBGZPJMESA-N 0 0 438.959 4.152 40 0 IIABRN COCCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 ZINC000257309751 568715477 /nfs/dbraw/zinc/71/54/77/568715477.db2.gz UCGISNBIOQYGFX-UHFFFAOYSA-N 0 0 440.609 4.225 40 0 IIABRN Cn1nc([C@H]2CN(Cc3cccc4cccnc43)CCO2)cc1CCOc1ccccc1F ZINC000257311392 568716043 /nfs/dbraw/zinc/71/60/43/568716043.db2.gz UJGMQGRFPMNKAQ-RUZDIDTESA-N 0 0 446.526 4.302 40 0 IIABRN CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4ccc5n[nH]nc5c4)CC3)C[C@@H]21 ZINC000257318653 568719373 /nfs/dbraw/zinc/71/93/73/568719373.db2.gz VOWYIUCDOGWXGM-PGRDOPGGSA-N 0 0 432.524 4.129 40 0 IIABRN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]3c3cccc(-n4ccnc4C)n3)cc2)n1 ZINC000257318700 568719527 /nfs/dbraw/zinc/71/95/27/568719527.db2.gz VPAIYZYNAYSXQP-DEOSSOPVSA-N 0 0 440.551 4.415 40 0 IIABRN O=S(=O)(c1cccc(F)c1)N1CCCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000257324413 568721898 /nfs/dbraw/zinc/72/18/98/568721898.db2.gz WOOTVVSJBOIUHL-LJQANCHMSA-N 0 0 438.484 4.340 40 0 IIABRN Cc1cc(Nc2cccc([C@H]3CN(Cc4ccc5c(c4)CC(C)(C)O5)CCO3)n2)nn1C ZINC000257324310 568721911 /nfs/dbraw/zinc/72/19/11/568721911.db2.gz WOCLLXAQGFPMAZ-JOCHJYFZSA-N 0 0 433.556 4.154 40 0 IIABRN CN(C(=O)CC1CCCCC1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257330178 568724473 /nfs/dbraw/zinc/72/44/73/568724473.db2.gz XNFKVKKWWCYHKK-GVPWJHIJSA-N 0 0 443.628 4.413 40 0 IIABRN O=C(c1ccnc(Cc2cccc(F)c2)c1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000257330511 568724663 /nfs/dbraw/zinc/72/46/63/568724663.db2.gz XOSOERYZAHUAQE-RUZDIDTESA-N 0 0 431.467 4.053 40 0 IIABRN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 ZINC000257335093 568726544 /nfs/dbraw/zinc/72/65/44/568726544.db2.gz YIQODSMKGKQBRF-NRFANRHFSA-N 0 0 448.542 4.160 40 0 IIABRN O=C(N1CCOC[C@@H](Cc2cccc3cccnc32)C1)C1(c2ccccc2)CCOCC1 ZINC000257336578 568727043 /nfs/dbraw/zinc/72/70/43/568727043.db2.gz YPBMZNXQXNYOEY-NRFANRHFSA-N 0 0 430.548 4.001 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)n3)cc(C)n2)C1 ZINC000257336418 568727228 /nfs/dbraw/zinc/72/72/28/568727228.db2.gz YOHSPGVIGAHXTD-HXUWFJFHSA-N 0 0 435.528 4.471 40 0 IIABRN Cc1nonc1COc1ccccc1C(=O)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000257338765 568728197 /nfs/dbraw/zinc/72/81/97/568728197.db2.gz YYWUXFGWJHBRFE-QFIPXVFZSA-N 0 0 441.491 4.391 40 0 IIABRN COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)Cc4ccco4)C3)nn2c1 ZINC000306123134 568762599 /nfs/dbraw/zinc/76/25/99/568762599.db2.gz AFNFFJLDCJCNDY-QGZVFWFLSA-N 0 0 434.471 4.086 40 0 IIABRN COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(C)o4)C3)nn2c1 ZINC000306125358 568763742 /nfs/dbraw/zinc/76/37/42/568763742.db2.gz CNJOTLOEMRNZTH-QGZVFWFLSA-N 0 0 434.471 4.465 40 0 IIABRN CN1CCN(c2nc3c(s2)CN(C(=O)Nc2ccccc2F)Cc2ccccc2-3)CC1 ZINC000306130043 568766233 /nfs/dbraw/zinc/76/62/33/568766233.db2.gz IUXDRRCQQKPWCV-UHFFFAOYSA-N 0 0 437.544 4.249 40 0 IIABRN COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4ccoc4C)C3)nn2c1 ZINC000306132162 568767163 /nfs/dbraw/zinc/76/71/63/568767163.db2.gz LAOGBNOKFFSPQU-KRWDZBQOSA-N 0 0 434.471 4.465 40 0 IIABRN Cc1ccc(-n2nccc2-c2nc(C(=O)NCc3ccc(F)cc3F)c3cnccn32)cc1 ZINC000306136765 568769683 /nfs/dbraw/zinc/76/96/83/568769683.db2.gz QCSFMHFQNSZTPY-UHFFFAOYSA-N 0 0 444.445 4.099 40 0 IIABRN O=C(NCc1ccccc1)c1nc(-c2cnc(NCc3ccccn3)s2)n2ccccc12 ZINC000306137336 568770016 /nfs/dbraw/zinc/77/00/16/568770016.db2.gz QTMLALBMKXRAEQ-UHFFFAOYSA-N 0 0 440.532 4.395 40 0 IIABRN O=C(NCc1ccccc1)c1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)n2ccccc12 ZINC000306141811 568772394 /nfs/dbraw/zinc/77/23/94/568772394.db2.gz WGWLEKGVVLFFHS-QFIPXVFZSA-N 0 0 438.531 4.284 40 0 IIABRN CCOc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)ccc1O ZINC000103158327 568792749 /nfs/dbraw/zinc/79/27/49/568792749.db2.gz BIQPNMNSQIGZGK-HFRGRHLUSA-N 0 0 425.525 4.308 40 0 IIABRN CC(C)[C@@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)n1 ZINC000328964146 568807841 /nfs/dbraw/zinc/80/78/41/568807841.db2.gz BTLHCOIFSKRDSU-GOSISDBHSA-N 0 0 431.378 4.108 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(C2CC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328971299 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DQVKUMKTTKLUPA-UHFFFAOYSA-N 0 0 431.341 4.185 40 0 IIABRN CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3cccc(Cl)c3)[C@@]1(C)Oc1c(OC)cccc12 ZINC000009524472 132320227 /nfs/dbraw/zinc/32/02/27/132320227.db2.gz XIPRYQVIVNSBNK-LZJOCLMNSA-N 0 0 432.929 4.072 40 0 IIABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccccc3F)CC2)c1 ZINC000013503949 132347467 /nfs/dbraw/zinc/34/74/67/132347467.db2.gz LBPTUCGCWHAHTM-XMMPIXPASA-N 0 0 434.563 4.456 40 0 IIABRN Cc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013505037 132348563 /nfs/dbraw/zinc/34/85/63/132348563.db2.gz PICSZKJFYUQXKU-RUZDIDTESA-N 0 0 442.567 4.151 40 0 IIABRN CC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013505424 132348892 /nfs/dbraw/zinc/34/88/92/132348892.db2.gz IPKUHBRGIFTLQF-OAQYLSRUSA-N 0 0 444.505 4.208 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1csnn1 ZINC000012638564 518744964 /nfs/dbraw/zinc/74/49/64/518744964.db2.gz LRZQTGAMQBRGKI-HXUWFJFHSA-N 0 0 440.544 4.018 40 0 IIABRN CC(C)C(=O)N1CCC(C[C@H]2CC(c3ccccc3)=NO2)(C(=O)NCc2ccccc2)CC1 ZINC000012182220 519456048 /nfs/dbraw/zinc/45/60/48/519456048.db2.gz MSFRTPDPCSLHCW-HSZRJFAPSA-N 0 0 447.579 4.151 40 0 IIABRN CC(C)NC(=O)Cn1c2ccccc2nc1SCC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000035312101 519709873 /nfs/dbraw/zinc/70/98/73/519709873.db2.gz NBNCEDSJRTVRRV-UHFFFAOYSA-N 0 0 445.614 4.046 40 0 IIABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1I ZINC000012599655 519825880 /nfs/dbraw/zinc/82/58/80/519825880.db2.gz UVVDKPVTUHAIBW-VBQJREDUSA-N 0 0 444.309 4.452 40 0 IIABRN CC(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1 ZINC000012873276 519839712 /nfs/dbraw/zinc/83/97/12/519839712.db2.gz HHYGCQWBJIDEJM-JOCHJYFZSA-N 0 0 434.565 4.324 40 0 IIABRN CC(C)c1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O ZINC000022393661 519844283 /nfs/dbraw/zinc/84/42/83/519844283.db2.gz ZKTRASGQFYBFHH-UHFFFAOYSA-N 0 0 443.338 4.116 40 0 IIABRN CCCCCN1c2nc3ccccc3n2[C@H](c2cccc(OC)c2)[C@H](C(=O)OCC)C1=O ZINC000020675798 520182796 /nfs/dbraw/zinc/18/27/96/520182796.db2.gz SZCJSULZZKBPLP-FCHUYYIVSA-N 0 0 435.524 4.350 40 0 IIABRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(OCC)cc1 ZINC000020798596 520476500 /nfs/dbraw/zinc/47/65/00/520476500.db2.gz KZTATMCAFGMVCH-NRFANRHFSA-N 0 0 436.508 4.222 40 0 IIABRN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccccc1Cl ZINC000020798683 520477089 /nfs/dbraw/zinc/47/70/89/520477089.db2.gz KVHKVIMYGMTOCX-KRWDZBQOSA-N 0 0 426.900 4.164 40 0 IIABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccccc2OCC)[C@@H](C(=O)OCC)C1=O ZINC000020675250 520600907 /nfs/dbraw/zinc/60/09/07/520600907.db2.gz GLUGBDAHLBFQCU-YADHBBJMSA-N 0 0 435.524 4.350 40 0 IIABRN CCOc1ccc(CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 ZINC000012256036 520941585 /nfs/dbraw/zinc/94/15/85/520941585.db2.gz HATQIMLOFDVJQM-FQEVSTJZSA-N 0 0 431.536 4.071 40 0 IIABRN CCCC[C@@H](CC)Cn1c(=O)c2cc3c(cc2c1=O)c(=O)n(C[C@@H](CC)CCCC)c3=O ZINC000017315856 521037416 /nfs/dbraw/zinc/03/74/16/521037416.db2.gz AIWVTMBIGBVWSS-HDICACEKSA-N 0 0 440.584 4.345 40 0 IIABRN CCOc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 ZINC000022381252 521058054 /nfs/dbraw/zinc/05/80/54/521058054.db2.gz HFKZQBDLGRZBIV-UHFFFAOYSA-N 0 0 434.514 4.120 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000020802624 521278161 /nfs/dbraw/zinc/27/81/61/521278161.db2.gz KGIWWJBKNOGUMJ-YADHBBJMSA-N 0 0 435.524 4.206 40 0 IIABRN CCCCc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 ZINC000022230165 521284388 /nfs/dbraw/zinc/28/43/88/521284388.db2.gz FEQYGVWPZBWZRX-OAQYLSRUSA-N 0 0 430.570 4.138 40 0 IIABRN CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(Br)cc2)ccc1Cl ZINC000022514959 521443143 /nfs/dbraw/zinc/44/31/43/521443143.db2.gz YTFONYWNQZDIFL-UHFFFAOYSA-N 0 0 432.723 4.221 40 0 IIABRN CCOc1ccccc1N(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000022428777 521511646 /nfs/dbraw/zinc/51/16/46/521511646.db2.gz OFBGQOWQRJRGAU-UHFFFAOYSA-N 0 0 430.570 4.072 40 0 IIABRN CCc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231057 521876898 /nfs/dbraw/zinc/87/68/98/521876898.db2.gz MUUYMZQCZXMHLZ-UHFFFAOYSA-N 0 0 438.549 4.233 40 0 IIABRN COc1cc(C(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)ccn1 ZINC000012181259 522079821 /nfs/dbraw/zinc/07/98/21/522079821.db2.gz WLCSERGSQYDRDG-BHYGNILZSA-N 0 0 437.466 4.208 40 0 IIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000021308895 522878092 /nfs/dbraw/zinc/87/80/92/522878092.db2.gz LTXNJRMZLGHXFT-QHCPKHFHSA-N 0 0 438.549 4.420 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035313537 523040352 /nfs/dbraw/zinc/04/03/52/523040352.db2.gz BYQMWUABEANZNA-DEOSSOPVSA-N 0 0 432.520 4.128 40 0 IIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020329604 523040456 /nfs/dbraw/zinc/04/04/56/523040456.db2.gz YNFZKILGSWZGQM-JOCHJYFZSA-N 0 0 430.570 4.274 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)c1ccco1)CC2 ZINC000012472168 523041531 /nfs/dbraw/zinc/04/15/31/523041531.db2.gz JDCFCYBNQPQBOO-DEOSSOPVSA-N 0 0 444.487 4.235 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000223699945 523073794 /nfs/dbraw/zinc/07/37/94/523073794.db2.gz PLJRMROVGQTJRL-DHIUTWEWSA-N 0 0 434.565 4.025 40 0 IIABRN COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)c3cc(C(C)(C)C)n[nH]3)n2)cc1 ZINC000019083715 523086965 /nfs/dbraw/zinc/08/69/65/523086965.db2.gz YXXZKJXTIIXRAV-UHFFFAOYSA-N 0 0 444.539 4.071 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3ccc(OC)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000021006128 523248166 /nfs/dbraw/zinc/24/81/66/523248166.db2.gz STXUQFGHEMAGJN-UHFFFAOYSA-N 0 0 437.887 4.160 40 0 IIABRN COc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2cccc3c2CCCC3)cc1OC ZINC000012471807 523611499 /nfs/dbraw/zinc/61/14/99/523611499.db2.gz VWWGVESILOIGDF-UHFFFAOYSA-N 0 0 436.552 4.288 40 0 IIABRN COCCN(Cc1cc2cc(C)ccc2n2nnnc12)C(=S)Nc1cc(C)cc(C)c1 ZINC000012645171 523740032 /nfs/dbraw/zinc/74/00/32/523740032.db2.gz KDJWZSIWICDIKP-UHFFFAOYSA-N 0 0 434.569 4.048 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)cc2n1 ZINC000012257493 523778947 /nfs/dbraw/zinc/77/89/47/523778947.db2.gz XMXPDCGHHRZKHU-CQSZACIVSA-N 0 0 446.429 4.059 40 0 IIABRN CCc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000012637347 523957104 /nfs/dbraw/zinc/95/71/04/523957104.db2.gz PPOJLXCBAZSNMX-IBGZPJMESA-N 0 0 426.542 4.305 40 0 IIABRN CCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000022383386 523971881 /nfs/dbraw/zinc/97/18/81/523971881.db2.gz POUYWERFMOZZFP-UHFFFAOYSA-N 0 0 438.549 4.400 40 0 IIABRN CCc1ccc2c(c1)c1nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nc1n2C ZINC000012492345 524059774 /nfs/dbraw/zinc/05/97/74/524059774.db2.gz FFUJOHHQEPIPGX-UHFFFAOYSA-N 0 0 435.597 4.256 40 0 IIABRN CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)CC)c2ccncc2)c1 ZINC000012874912 524070563 /nfs/dbraw/zinc/07/05/63/524070563.db2.gz VMCGIMYDSKITKX-HXUWFJFHSA-N 0 0 437.569 4.188 40 0 IIABRN CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 ZINC000012874806 524070697 /nfs/dbraw/zinc/07/06/97/524070697.db2.gz XYMPNSFIRRSEIK-OAQYLSRUSA-N 0 0 438.553 4.449 40 0 IIABRN COc1ccc(CNc2ncc(-c3ccsc3)c(-c3cnc(OC)nc3OC)n2)cc1 ZINC000012253013 524108519 /nfs/dbraw/zinc/10/85/19/524108519.db2.gz ZIODCSXZARSPQT-UHFFFAOYSA-N 0 0 435.509 4.300 40 0 IIABRN Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccncc2)c1C ZINC000035311980 524138367 /nfs/dbraw/zinc/13/83/67/524138367.db2.gz PZDZQFLGKQJPGU-UHFFFAOYSA-N 0 0 429.549 4.355 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1 ZINC000012230269 524203120 /nfs/dbraw/zinc/20/31/20/524203120.db2.gz PVLLOSPNUGJCTH-MRXNPFEDSA-N 0 0 442.438 4.112 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cc(-c5ccccc5)n[nH]4)C3)cc2n1 ZINC000019117034 524203836 /nfs/dbraw/zinc/20/38/36/524203836.db2.gz LYHFYNVLQBACDQ-OAHLLOKOSA-N 0 0 440.429 4.076 40 0 IIABRN Cc1cc(C)c(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000022400154 524275894 /nfs/dbraw/zinc/27/58/94/524275894.db2.gz KDZUDSYNPMABDR-UHFFFAOYSA-N 0 0 436.577 4.284 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022428075 524362724 /nfs/dbraw/zinc/36/27/24/524362724.db2.gz DXAPWNSGPCODQR-UHFFFAOYSA-N 0 0 436.577 4.466 40 0 IIABRN Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)c1 ZINC000012492853 524509188 /nfs/dbraw/zinc/50/91/88/524509188.db2.gz ILQJSCXUVWPPAV-QPPBQGQZSA-N 0 0 449.576 4.064 40 0 IIABRN COc1ccccc1N(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1ccco1 ZINC000035312502 524523653 /nfs/dbraw/zinc/52/36/53/524523653.db2.gz PFTSEMBVQCBRMU-DEOSSOPVSA-N 0 0 441.487 4.388 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000022399983 524531983 /nfs/dbraw/zinc/53/19/83/524531983.db2.gz DWWPBWHYUHOMCD-KRWDZBQOSA-N 0 0 446.569 4.220 40 0 IIABRN COc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449569 524628042 /nfs/dbraw/zinc/62/80/42/524628042.db2.gz 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C[C@H]1Cc2cc(C(=O)Nc3ccc(F)cc3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449493 524980265 /nfs/dbraw/zinc/98/02/65/524980265.db2.gz YYDMMBDRXQITSO-AWEZNQCLSA-N 0 0 428.460 4.357 40 0 IIABRN C[C@H]1Cc2cc(C(=O)NCc3ccco3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448444 524980430 /nfs/dbraw/zinc/98/04/30/524980430.db2.gz NNHMPYOPUGGBOY-AWEZNQCLSA-N 0 0 430.913 4.003 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000020450700 525027020 /nfs/dbraw/zinc/02/70/20/525027020.db2.gz ZWOGYUZLGDZDQN-SFHVURJKSA-N 0 0 430.570 4.059 40 0 IIABRN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(Br)c1 ZINC000022398405 525046633 /nfs/dbraw/zinc/04/66/33/525046633.db2.gz COZJAIQJKOQDBX-UHFFFAOYSA-N 0 0 447.354 4.170 40 0 IIABRN Cc1ccc(NC(=O)CN2c3cc(C(=O)NC4CCCCC4)ccc3OC(C)(C)C2=O)cc1 ZINC000012875303 525060620 /nfs/dbraw/zinc/06/06/20/525060620.db2.gz SVRQZVKTRVBHSV-UHFFFAOYSA-N 0 0 449.551 4.200 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000020489615 525073962 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525899029 /nfs/dbraw/zinc/89/90/29/525899029.db2.gz MFMWDFSFNFTXFW-UHFFFAOYSA-N 0 0 435.578 4.416 40 0 IIABRN C[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000020495147 525936292 /nfs/dbraw/zinc/93/62/92/525936292.db2.gz GMZIJIWKNGPHPD-GFCCVEGCSA-N 0 0 449.787 4.460 40 0 IIABRN Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)CC(C)(C)O2 ZINC000022426576 526179818 /nfs/dbraw/zinc/17/98/18/526179818.db2.gz APTOTNMSYQTUHF-FQEVSTJZSA-N 0 0 444.597 4.105 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000033752785 526661533 /nfs/dbraw/zinc/66/15/33/526661533.db2.gz BMTBCFJXRWLYOF-UHFFFAOYSA-N 0 0 441.380 4.488 40 0 IIABRN O=C(NCc1ccc(F)cc1)[C@@H](c1cccs1)N(C(=O)c1csnn1)C1CCCC1 ZINC000012873514 526672946 /nfs/dbraw/zinc/67/29/46/526672946.db2.gz KMRMZILQUNSMEZ-LJQANCHMSA-N 0 0 444.557 4.181 40 0 IIABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1 ZINC000022385121 526703323 /nfs/dbraw/zinc/70/33/23/526703323.db2.gz HKBIJQADICWYFZ-UHFFFAOYSA-N 0 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4.089 40 0 IIABRN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408536147 555758967 /nfs/dbraw/zinc/75/89/67/555758967.db2.gz YHVZSGXRLITBPS-LLVKDONJSA-N 0 0 449.306 4.311 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccc(Cl)cc1 ZINC000408536479 555760294 /nfs/dbraw/zinc/76/02/94/555760294.db2.gz ZSVPXHRVHHHVPO-UHFFFAOYSA-N 0 0 442.924 4.109 40 0 IIABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408535790 555765359 /nfs/dbraw/zinc/76/53/59/555765359.db2.gz WLECFCNGQBNLPX-LBPRGKRZSA-N 0 0 431.341 4.088 40 0 IIABRN CCCOc1c(I)cc(C(=O)Nc2ccccc2OC)cc1OC ZINC000035104091 555773272 /nfs/dbraw/zinc/77/32/72/555773272.db2.gz LJWGDZWARIZSJS-UHFFFAOYSA-N 0 0 441.265 4.350 40 0 IIABRN O=C1c2ccccc2C(=O)N1CCCSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000002680048 555798149 /nfs/dbraw/zinc/79/81/49/555798149.db2.gz AGZODYROYNPEMF-UHFFFAOYSA-N 0 0 441.516 4.108 40 0 IIABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)c(Cl)c1 ZINC000035128761 555841659 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4.476 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc(COc2ccccc2C)o1 ZINC000408562602 555906006 /nfs/dbraw/zinc/90/60/06/555906006.db2.gz QVXBFVVVMDHQPG-UHFFFAOYSA-N 0 0 428.872 4.198 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000408584982 555935279 /nfs/dbraw/zinc/93/52/79/555935279.db2.gz XJQBNEISDHXADS-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 ZINC000408588191 555938483 /nfs/dbraw/zinc/93/84/83/555938483.db2.gz CVYPLFIBGUKEDN-UHFFFAOYSA-N 0 0 444.326 4.167 40 0 IIABRN CCOC(=O)[C@H]1C(=N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000003851774 555949172 /nfs/dbraw/zinc/94/91/72/555949172.db2.gz TYKOLYCDCQTMSH-NVXWUHKLSA-N 0 0 442.265 4.236 40 0 IIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408595161 555961323 /nfs/dbraw/zinc/96/13/23/555961323.db2.gz UCFCWAAGMFUSOO-SFHVURJKSA-N 0 0 430.570 4.320 40 0 IIABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408597258 555964633 /nfs/dbraw/zinc/96/46/33/555964633.db2.gz UONZYOYSCKNPHD-CYBMUJFWSA-N 0 0 445.368 4.334 40 0 IIABRN CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1Br ZINC000408606809 555967315 /nfs/dbraw/zinc/96/73/15/555967315.db2.gz QHSFTLLSGLNSAL-SFHVURJKSA-N 0 0 446.370 4.279 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)cc1Cl ZINC000408618431 555982167 /nfs/dbraw/zinc/98/21/67/555982167.db2.gz GJGOMXNNGYAESK-MRXNPFEDSA-N 0 0 436.961 4.087 40 0 IIABRN C[C@H](NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)c1ccccc1 ZINC000408624228 555993342 /nfs/dbraw/zinc/99/33/42/555993342.db2.gz GGMGNZUPWSYCBB-HNNXBMFYSA-N 0 0 426.925 4.393 40 0 IIABRN CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(I)c1OC ZINC000408619612 555994966 /nfs/dbraw/zinc/99/49/66/555994966.db2.gz KFGXMWAIXUTMOV-UHFFFAOYSA-N 0 0 429.229 4.398 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccccc1)C1CCCCC1 ZINC000408626520 555997226 /nfs/dbraw/zinc/99/72/26/555997226.db2.gz ZGWSRDOFGZLDIN-IBGZPJMESA-N 0 0 444.597 4.204 40 0 IIABRN CC(=O)Oc1ccc([C@]23c4ccccc4[C@]2(OC(C)=O)c2cc(OC(C)=O)ccc23)cc1 ZINC000004747940 556009460 /nfs/dbraw/zinc/00/94/60/556009460.db2.gz VYVDPFREHHCGMM-FTJBHMTQSA-N 0 0 428.440 4.005 40 0 IIABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)o1 ZINC000408639498 556016386 /nfs/dbraw/zinc/01/63/86/556016386.db2.gz XXYPKRHJLTXVMB-UHFFFAOYSA-N 0 0 447.900 4.128 40 0 IIABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O ZINC000408641773 556017613 /nfs/dbraw/zinc/01/76/13/556017613.db2.gz MTDLZTZKXWKXBH-OAHLLOKOSA-N 0 0 431.330 4.456 40 0 IIABRN CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408647307 556022752 /nfs/dbraw/zinc/02/27/52/556022752.db2.gz BPMWXKFYDIYQDK-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(Cl)cc1 ZINC000408652477 556030277 /nfs/dbraw/zinc/03/02/77/556030277.db2.gz ORXOIOVUHJJZMV-LBPRGKRZSA-N 0 0 426.683 4.426 40 0 IIABRN Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 ZINC000408655766 556034292 /nfs/dbraw/zinc/03/42/92/556034292.db2.gz MBOKCGMBEUJYHD-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 ZINC000408655764 556034319 /nfs/dbraw/zinc/03/43/19/556034319.db2.gz MBOKCGMBEUJYHD-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408656472 556036447 /nfs/dbraw/zinc/03/64/47/556036447.db2.gz SPNDUWVVDHGWTR-OCCSQVGLSA-N 0 0 436.291 4.170 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1Cl ZINC000408657434 556038079 /nfs/dbraw/zinc/03/80/79/556038079.db2.gz UCWHDMHSCCCGGS-LLVKDONJSA-N 0 0 426.683 4.426 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C ZINC000408660673 556040989 /nfs/dbraw/zinc/04/09/89/556040989.db2.gz UZKMNBGLQHHZFE-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408663107 556045671 /nfs/dbraw/zinc/04/56/71/556045671.db2.gz YDEKELYUONTMCU-YSGRDPCXSA-N 0 0 438.911 4.001 40 0 IIABRN CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000408663198 556045929 /nfs/dbraw/zinc/04/59/29/556045929.db2.gz MBYRYEVQEAXMIU-UHFFFAOYSA-N 0 0 438.402 4.005 40 0 IIABRN CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000408663570 556046645 /nfs/dbraw/zinc/04/66/45/556046645.db2.gz AIHXSHMGCZYWOB-UHFFFAOYSA-N 0 0 432.904 4.202 40 0 IIABRN Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)c1 ZINC000408663778 556046976 /nfs/dbraw/zinc/04/69/76/556046976.db2.gz NTKBSBZUMQJZGN-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)Nc1cccc(Cl)c1 ZINC000408665504 556049540 /nfs/dbraw/zinc/04/95/40/556049540.db2.gz FNSGQDYZZMWGAX-NSHDSACASA-N 0 0 441.698 4.182 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1C ZINC000408667231 556055498 /nfs/dbraw/zinc/05/54/98/556055498.db2.gz SBZFEDBIGJABJE-UJUVCNOISA-N 0 0 448.519 4.025 40 0 IIABRN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408670341 556057818 /nfs/dbraw/zinc/05/78/18/556057818.db2.gz ZMKDPJWOPRQOCT-UHFFFAOYSA-N 0 0 432.904 4.338 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408674881 556066151 /nfs/dbraw/zinc/06/61/51/556066151.db2.gz DOUOMPMRMZHLNL-UHFFFAOYSA-N 0 0 440.924 4.351 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O ZINC000005983621 556071453 /nfs/dbraw/zinc/07/14/53/556071453.db2.gz CIIDCYJRCLXUIS-UHFFFAOYSA-N 0 0 426.306 4.144 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1c(F)cccc1F ZINC000408677887 556072150 /nfs/dbraw/zinc/07/21/50/556072150.db2.gz SBJUANXPZNWKAV-UHFFFAOYSA-N 0 0 432.448 4.092 40 0 IIABRN CCCOC(=O)c1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC(C)=CC[C@@H]3C2=O)cc1 ZINC000408680249 556074874 /nfs/dbraw/zinc/07/48/74/556074874.db2.gz HKZRFUHUBLUFFS-PZJWPPBQSA-N 0 0 446.503 4.351 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000408680187 556074882 /nfs/dbraw/zinc/07/48/82/556074882.db2.gz PEGCGLOBKKERSA-UHFFFAOYSA-N 0 0 445.766 4.287 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000408680304 556074907 /nfs/dbraw/zinc/07/49/07/556074907.db2.gz GBTXCRICDLCKII-KNQAVFIVSA-N 0 0 444.535 4.037 40 0 IIABRN Cc1cccc(N(CCCC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000408681190 556076284 /nfs/dbraw/zinc/07/62/84/556076284.db2.gz PVTXAAYSXPXASR-UHFFFAOYSA-N 0 0 441.018 4.103 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 ZINC000408681260 556076315 /nfs/dbraw/zinc/07/63/15/556076315.db2.gz HMUCCGLIRNSRBR-NRFANRHFSA-N 0 0 444.535 4.097 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)o1 ZINC000035353062 556080954 /nfs/dbraw/zinc/08/09/54/556080954.db2.gz BIQQVZVWZWTBKX-MTJSOVHGSA-N 0 0 447.491 4.183 40 0 IIABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000408681783 556081590 /nfs/dbraw/zinc/08/15/90/556081590.db2.gz ZEOVKJFUFMZDDS-KRWDZBQOSA-N 0 0 440.521 4.210 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000408682295 556082252 /nfs/dbraw/zinc/08/22/52/556082252.db2.gz WRILJVIDHHFQTB-UHFFFAOYSA-N 0 0 442.793 4.042 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000408682628 556082600 /nfs/dbraw/zinc/08/26/00/556082600.db2.gz JWQOYVIFMMYBFK-NRFANRHFSA-N 0 0 444.535 4.097 40 0 IIABRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)c(Br)cc3C)ccc21 ZINC000408682597 556082634 /nfs/dbraw/zinc/08/26/34/556082634.db2.gz JSENFCJSOJUAQC-UHFFFAOYSA-N 0 0 443.750 4.121 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000035363025 556086246 /nfs/dbraw/zinc/08/62/46/556086246.db2.gz IMUOAGPDUPIRDO-QHCPKHFHSA-N 0 0 438.505 4.323 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000408693235 556093431 /nfs/dbraw/zinc/09/34/31/556093431.db2.gz ULWKWNRHPVVSDX-UHFFFAOYSA-N 0 0 445.766 4.287 40 0 IIABRN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)cc1 ZINC000408700814 556105775 /nfs/dbraw/zinc/10/57/75/556105775.db2.gz MKJHYVLNUQWXJT-UHFFFAOYSA-N 0 0 444.597 4.420 40 0 IIABRN CCS(=O)(=O)Nc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000408704266 556109533 /nfs/dbraw/zinc/10/95/33/556109533.db2.gz ZMVUSXNWUKTKML-UHFFFAOYSA-N 0 0 447.409 4.418 40 0 IIABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000408703853 556111235 /nfs/dbraw/zinc/11/12/35/556111235.db2.gz ZSMLSVABCFPBLJ-KRWDZBQOSA-N 0 0 440.521 4.210 40 0 IIABRN Cc1cccc(CSCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000408706011 556112574 /nfs/dbraw/zinc/11/25/74/556112574.db2.gz SSYXYBMQEKOZTB-UHFFFAOYSA-N 0 0 448.654 4.208 40 0 IIABRN Cc1cc(OCC(=O)N(C)Cc2nnc(-c3ccccc3)o2)c(C)cc1Br ZINC000408714429 556133649 /nfs/dbraw/zinc/13/36/49/556133649.db2.gz QMYNVCYPWWZVGW-UHFFFAOYSA-N 0 0 430.302 4.153 40 0 IIABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)Nc3cccc(Cl)c3)c1)C2=O ZINC000408722667 556148388 /nfs/dbraw/zinc/14/83/88/556148388.db2.gz VRFFXWMNXRRBFX-PGRDOPGGSA-N 0 0 446.956 4.457 40 0 IIABRN CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013710995 556283889 /nfs/dbraw/zinc/28/38/89/556283889.db2.gz SVTYGYBXRFIBDZ-XMMPIXPASA-N 0 0 436.577 4.460 40 0 IIABRN CC[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716130 556287351 /nfs/dbraw/zinc/28/73/51/556287351.db2.gz VOLXMAXTTDUKCR-GOSISDBHSA-N 0 0 439.375 4.249 40 0 IIABRN COc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nnc2-c2ccncc2)cc1 ZINC000009925270 556316602 /nfs/dbraw/zinc/31/66/02/556316602.db2.gz GIMBQBUYRNILKR-UHFFFAOYSA-N 0 0 443.532 4.019 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)cc1OC ZINC000010041133 556323348 /nfs/dbraw/zinc/32/33/48/556323348.db2.gz SPRWZZACKGMSME-UHFFFAOYSA-N 0 0 437.930 4.102 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1Cl ZINC000010328827 556331827 /nfs/dbraw/zinc/33/18/27/556331827.db2.gz YYLNCBJCRZHGIO-UHFFFAOYSA-N 0 0 445.368 4.495 40 0 IIABRN CCN(CC)C(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000010333586 556332501 /nfs/dbraw/zinc/33/25/01/556332501.db2.gz ZYYNNFXLUJAEGU-UHFFFAOYSA-N 0 0 429.369 4.442 40 0 IIABRN Cc1ccc(SCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000010334068 556332851 /nfs/dbraw/zinc/33/28/51/556332851.db2.gz FLFTYJNVPLAEJZ-MRXNPFEDSA-N 0 0 441.018 4.020 40 0 IIABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013994757 556353298 /nfs/dbraw/zinc/35/32/98/556353298.db2.gz XLVDPKMCDOUGKO-NRFANRHFSA-N 0 0 430.570 4.356 40 0 IIABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)C(C)(C)Oc4ccc(C)cc4)nn3cn2)cc1 ZINC000012085204 556399200 /nfs/dbraw/zinc/39/92/00/556399200.db2.gz SVLWMSMLVGMIDE-KRWDZBQOSA-N 0 0 445.523 4.143 40 0 IIABRN CN(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000039749597 556438456 /nfs/dbraw/zinc/43/84/56/556438456.db2.gz XQEZXJDWOHABHZ-UHFFFAOYSA-N 0 0 427.464 4.307 40 0 IIABRN CN(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000039759510 556441884 /nfs/dbraw/zinc/44/18/84/556441884.db2.gz UGWFPDVILDCGSG-UHFFFAOYSA-N 0 0 427.464 4.307 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000030319823 556492942 /nfs/dbraw/zinc/49/29/42/556492942.db2.gz CIZCVJNFUQTDBF-UHFFFAOYSA-N 0 0 444.475 4.062 40 0 IIABRN Cc1ccc(OCCCC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)c(C)c1 ZINC000013226950 556499606 /nfs/dbraw/zinc/49/96/06/556499606.db2.gz QFYBFHYEWRRISC-UHFFFAOYSA-N 0 0 446.551 4.426 40 0 IIABRN Cc1ccc([C@H](NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030751505 556503152 /nfs/dbraw/zinc/50/31/52/556503152.db2.gz ITRLOKAMOHQZBE-RUZDIDTESA-N 0 0 436.577 4.284 40 0 IIABRN CCOc1ccccc1CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000030758661 556505456 /nfs/dbraw/zinc/50/54/56/556505456.db2.gz JOTQCPUZJRKRKM-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN Cc1nc(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)c2)cs1 ZINC000030787275 556505686 /nfs/dbraw/zinc/50/56/86/556505686.db2.gz DTTPIPVCTZIMHR-UHFFFAOYSA-N 0 0 441.578 4.131 40 0 IIABRN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000030859898 556510747 /nfs/dbraw/zinc/51/07/47/556510747.db2.gz UWZKBVJQIGMBBZ-UHFFFAOYSA-N 0 0 430.913 4.331 40 0 IIABRN COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000030946510 556517188 /nfs/dbraw/zinc/51/71/88/556517188.db2.gz IZTLNXIUELVNOI-UHFFFAOYSA-N 0 0 431.330 4.086 40 0 IIABRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000015398201 556524246 /nfs/dbraw/zinc/52/42/46/556524246.db2.gz HALXKDCSMADLGV-SFHVURJKSA-N 0 0 426.513 4.207 40 0 IIABRN O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000032111861 556530589 /nfs/dbraw/zinc/53/05/89/556530589.db2.gz SXWMCERRLIAENN-UHFFFAOYSA-N 0 0 438.896 4.435 40 0 IIABRN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)c(=O)n(-c1ccc(Cl)cc1)c2=O ZINC000013634624 556540513 /nfs/dbraw/zinc/54/05/13/556540513.db2.gz MJDFNYIFCLTYFO-UHFFFAOYSA-N 0 0 436.895 4.180 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3cccc(F)c3)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032639895 556544055 /nfs/dbraw/zinc/54/40/55/556544055.db2.gz HMXOJTDESCQUTK-IAGOWNOFSA-N 0 0 445.368 4.408 40 0 IIABRN COc1cc(CNC(=O)c2ccc(I)cc2)ccc1OC(C)C ZINC000013647567 556544513 /nfs/dbraw/zinc/54/45/13/556544513.db2.gz FPRWGMKLDLRLGV-UHFFFAOYSA-N 0 0 425.266 4.017 40 0 IIABRN Cc1ccc(C)c(N2C(SCc3ccc(F)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640416 556544830 /nfs/dbraw/zinc/54/48/30/556544830.db2.gz FGOWNZULXVRAMY-MJGOQNOKSA-N 0 0 438.977 4.371 40 0 IIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640403 556544856 /nfs/dbraw/zinc/54/48/56/556544856.db2.gz LPZWDFXLGXHJRP-RTBURBONSA-N 0 0 438.977 4.371 40 0 IIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640404 556544899 /nfs/dbraw/zinc/54/48/99/556544899.db2.gz LPZWDFXLGXHJRP-MOPGFXCFSA-N 0 0 438.977 4.371 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1Cl)N2c1ccc(Cl)cc1 ZINC000032640472 556545135 /nfs/dbraw/zinc/54/51/35/556545135.db2.gz JDGJEYDALBBLHQ-SJORKVTESA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3)N(c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000032640606 556545399 /nfs/dbraw/zinc/54/53/99/556545399.db2.gz PDSWZYDIZYHWFW-IRXDYDNUSA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(c3ccc(Cl)cc3)[C@H]2C1 ZINC000032640958 556545629 /nfs/dbraw/zinc/54/56/29/556545629.db2.gz UPWILLZVFDUYNH-IRXDYDNUSA-N 0 0 427.378 4.268 40 0 IIABRN CCOc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000013668766 556549245 /nfs/dbraw/zinc/54/92/45/556549245.db2.gz CPHYPPFEURATAL-UHFFFAOYSA-N 0 0 428.485 4.058 40 0 IIABRN CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000013669715 556550773 /nfs/dbraw/zinc/55/07/73/556550773.db2.gz XNFREUVARJWPMA-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN CCc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccccc2)cc1 ZINC000013670017 556550980 /nfs/dbraw/zinc/55/09/80/556550980.db2.gz ONEGRHSCKQKXCG-IBGZPJMESA-N 0 0 434.561 4.422 40 0 IIABRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000013671313 556552092 /nfs/dbraw/zinc/55/20/92/556552092.db2.gz VOADLAYPKAUSDR-UHFFFAOYSA-N 0 0 444.915 4.264 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)cc1 ZINC000016293367 556598493 /nfs/dbraw/zinc/59/84/93/556598493.db2.gz JULMWIKWXSNEMR-UHFFFAOYSA-N 0 0 444.940 4.144 40 0 IIABRN Clc1cccc(N2CCN(/C=C/c3nnnn3-c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000016398906 556605058 /nfs/dbraw/zinc/60/50/58/556605058.db2.gz ATUDONBFWXPVSV-VOTSOKGWSA-N 0 0 435.746 4.415 40 0 IIABRN CCc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(OC)c3)C2=O)cc1 ZINC000100932884 556611645 /nfs/dbraw/zinc/61/16/45/556611645.db2.gz ZOJIDIFKCOZITF-SMIHKQSGSA-N 0 0 428.488 4.309 40 0 IIABRN CCSc1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000038753543 556616382 /nfs/dbraw/zinc/61/63/82/556616382.db2.gz OMKHSMJHAIVPLV-ZDUSSCGKSA-N 0 0 442.990 4.254 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2Cl)cc1 ZINC000038754815 556617293 /nfs/dbraw/zinc/61/72/93/556617293.db2.gz WJGROIMOYGBEAV-UHFFFAOYSA-N 0 0 444.896 4.430 40 0 IIABRN Cc1ccc(Cl)cc1N(CCCC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O ZINC000038755858 556617780 /nfs/dbraw/zinc/61/77/80/556617780.db2.gz ZSSJRINANLDQTE-FQEVSTJZSA-N 0 0 434.989 4.388 40 0 IIABRN C[C@@]1(O)CCN(Cc2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289745 556623993 /nfs/dbraw/zinc/62/39/93/556623993.db2.gz CZNOALZDSWLYAE-KYPHJKQUSA-N 0 0 436.502 4.461 40 0 biogenic,in-vitro IIABRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC ZINC000016681881 556624139 /nfs/dbraw/zinc/62/41/39/556624139.db2.gz ZAJZPUIHSLMHCL-UHFFFAOYSA-N 0 0 426.494 4.038 40 0 IIABRN O=C(C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000039964027 556631149 /nfs/dbraw/zinc/63/11/49/556631149.db2.gz PXTZRTUGZFPXBR-QFIPXVFZSA-N 0 0 428.467 4.335 40 0 IIABRN C[C@@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCc2ccccc2)n2c3ccccc3nc21 ZINC000039964070 556631352 /nfs/dbraw/zinc/63/13/52/556631352.db2.gz FBCJMFPGNQQYHP-RZFNWQHOSA-N 0 0 430.552 4.252 40 0 IIABRN Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000039964165 556631421 /nfs/dbraw/zinc/63/14/21/556631421.db2.gz PPHROMOIVDKWAR-QFIPXVFZSA-N 0 0 425.492 4.165 40 0 IIABRN CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000039985428 556631833 /nfs/dbraw/zinc/63/18/33/556631833.db2.gz JZRSGANUBXINDJ-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN CCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000039985594 556632155 /nfs/dbraw/zinc/63/21/55/556632155.db2.gz OIDQXZYPONTUJD-UHFFFAOYSA-N 0 0 440.540 4.065 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(C)cc(C)cc2C)cc1Cl ZINC000039986562 556633339 /nfs/dbraw/zinc/63/33/39/556633339.db2.gz VDMVDXUEFWBLQE-UHFFFAOYSA-N 0 0 438.977 4.313 40 0 IIABRN O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH]c2ccccc12 ZINC000040392467 556638449 /nfs/dbraw/zinc/63/84/49/556638449.db2.gz BMLUGKQBHWEPND-UHFFFAOYSA-N 0 0 440.894 4.484 40 0 IIABRN COc1ccc(CCn2ccc3c(nnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)cc1 ZINC000040395979 556638611 /nfs/dbraw/zinc/63/86/11/556638611.db2.gz IDIVKIBTKRKZBO-UHFFFAOYSA-N 0 0 445.910 4.319 40 0 IIABRN COc1ccccc1CCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O ZINC000040395981 556638685 /nfs/dbraw/zinc/63/86/85/556638685.db2.gz SXUCWDSISJKQCL-UHFFFAOYSA-N 0 0 445.910 4.319 40 0 IIABRN Cc1ccc(NC(=O)/C=C2\SC(=O)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000016754219 556638754 /nfs/dbraw/zinc/63/87/54/556638754.db2.gz AEBMCAYVVHUSQQ-MFVBVHDHSA-N 0 0 443.912 4.193 40 0 IIABRN COc1ccc(Cn2ccc3c(cnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1OC ZINC000040396916 556639189 /nfs/dbraw/zinc/63/91/89/556639189.db2.gz CGLWEJKOIBWFJN-UHFFFAOYSA-N 0 0 444.466 4.224 40 0 IIABRN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396847 556639250 /nfs/dbraw/zinc/63/92/50/556639250.db2.gz AIZVTAPIILQRQF-UHFFFAOYSA-N 0 0 441.466 4.105 40 0 IIABRN COc1ccc(Cn2ccc3nc4nc(C)nn4c(-c4ccccc4Cl)c3c2=O)cc1 ZINC000040398400 556640279 /nfs/dbraw/zinc/64/02/79/556640279.db2.gz SXXBLOPKEDUCJQ-UHFFFAOYSA-N 0 0 431.883 4.125 40 0 IIABRN Cc1cc(NC(=S)NC(=O)COc2ccccc2)cc(-c2nc3ccccc3o2)c1O ZINC000017098431 556663283 /nfs/dbraw/zinc/66/32/83/556663283.db2.gz FKBIRMFGPLXCQV-UHFFFAOYSA-N 0 0 433.489 4.401 40 0 IIABRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)c2)cc1 ZINC000083319109 556663783 /nfs/dbraw/zinc/66/37/83/556663783.db2.gz NSWCAYYNZNSMLO-KGENOOAVSA-N 0 0 437.448 4.246 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000044846927 556669688 /nfs/dbraw/zinc/66/96/88/556669688.db2.gz OOJCACXGVKIFHD-ZDUSSCGKSA-N 0 0 445.368 4.036 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000044903265 556678631 /nfs/dbraw/zinc/67/86/31/556678631.db2.gz GKCAYZSZELPBLI-UHFFFAOYSA-N 0 0 444.597 4.133 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044902963 556678687 /nfs/dbraw/zinc/67/86/87/556678687.db2.gz FBWCFDWOVPZKOX-CXAGYDPISA-N 0 0 429.369 4.415 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000044905939 556679800 /nfs/dbraw/zinc/67/98/00/556679800.db2.gz URNGEZGOJJAXOF-JTSKRJEESA-N 0 0 444.597 4.005 40 0 IIABRN CCOc1cccc(CNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000044919815 556682087 /nfs/dbraw/zinc/68/20/87/556682087.db2.gz WFKNLOUGOZYPQZ-UHFFFAOYSA-N 0 0 431.374 4.376 40 0 IIABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000044949683 556684324 /nfs/dbraw/zinc/68/43/24/556684324.db2.gz GKJYXEAZCUGQMC-UHFFFAOYSA-N 0 0 435.760 4.071 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1 ZINC000260380338 556692262 /nfs/dbraw/zinc/69/22/62/556692262.db2.gz ZEKRCMOMXUFFPY-GBXCKJPGSA-N 0 0 436.577 4.364 40 0 IIABRN COc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000000780903 556693894 /nfs/dbraw/zinc/69/38/94/556693894.db2.gz GJGRHFGOQHVOPU-OXJNMPFZSA-N 0 0 437.565 4.181 40 0 IIABRN COc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccncc2)cc1 ZINC000000796383 556695170 /nfs/dbraw/zinc/69/51/70/556695170.db2.gz UYBIDCYXAPVMNX-UHFFFAOYSA-N 0 0 435.484 4.208 40 0 IIABRN COc1ccc([C@H](NC(=O)[C@H]2COc3cc(C(C)(C)C)ccc3O2)c2ccncc2)cc1 ZINC000019084560 556698476 /nfs/dbraw/zinc/69/84/76/556698476.db2.gz HRSZLEVYRWUXGS-RPWUZVMVSA-N 0 0 432.520 4.433 40 0 IIABRN Cc1cc2ncn(CCC(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)c2cc1C ZINC000257219085 556700903 /nfs/dbraw/zinc/70/09/03/556700903.db2.gz DFNANHNWZHLBRU-QFIPXVFZSA-N 0 0 432.568 4.244 40 0 IIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000257199666 556700939 /nfs/dbraw/zinc/70/09/39/556700939.db2.gz AAJTWBCXIAASCY-UHFFFAOYSA-N 0 0 442.563 4.053 40 0 IIABRN O=C(CN1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200816 556701033 /nfs/dbraw/zinc/70/10/33/556701033.db2.gz AFADXZVPNWQIDU-AHKZPQOWSA-N 0 0 434.580 4.344 40 0 IIABRN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccccc3F)CC2)on1 ZINC000019122880 556701700 /nfs/dbraw/zinc/70/17/00/556701700.db2.gz KXVSHWZWARLLEQ-UHFFFAOYSA-N 0 0 435.503 4.102 40 0 IIABRN CC(C)C[C@]1(O)CCN(CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257207687 556701944 /nfs/dbraw/zinc/70/19/44/556701944.db2.gz BITQATDTXSVHJQ-JTHBVZDNSA-N 0 0 434.939 4.348 40 0 IIABRN O=C(N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2)CCOCC1 ZINC000257320079 556704080 /nfs/dbraw/zinc/70/40/80/556704080.db2.gz VVHDCIBAVCYWKZ-QFIPXVFZSA-N 0 0 430.548 4.001 40 0 IIABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257323769 556704558 /nfs/dbraw/zinc/70/45/58/556704558.db2.gz WLTWOATVBWOYFT-OAQYLSRUSA-N 0 0 441.510 4.412 40 0 IIABRN Cc1ccc(OCCCC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c(C)c1 ZINC000019132768 556704700 /nfs/dbraw/zinc/70/47/00/556704700.db2.gz ZEWMBALCFSOHCQ-LJQANCHMSA-N 0 0 432.524 4.036 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC000019135622 556706139 /nfs/dbraw/zinc/70/61/39/556706139.db2.gz YTIPDSHWXWYYAM-KMRXNPHXSA-N 0 0 441.575 4.368 40 0 IIABRN COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CCN(C(=O)Cc3ccc(C)cc3)C2)cc1 ZINC000019209195 556708085 /nfs/dbraw/zinc/70/80/85/556708085.db2.gz STMSSHZYIYZUGY-NDEPHWFRSA-N 0 0 442.559 4.160 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000019209414 556708090 /nfs/dbraw/zinc/70/80/90/556708090.db2.gz YTEMMHHJTQFUBR-MUUNZHRXSA-N 0 0 441.575 4.197 40 0 IIABRN Cc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)cc1 ZINC000019209924 556708882 /nfs/dbraw/zinc/70/88/82/556708882.db2.gz ISVRLJMYQFTTID-HSZRJFAPSA-N 0 0 427.552 4.283 40 0 IIABRN NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)c1 ZINC000257250275 556711206 /nfs/dbraw/zinc/71/12/06/556711206.db2.gz JLVZTWHHQFORNI-HSZRJFAPSA-N 0 0 449.938 4.034 40 0 IIABRN Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)C[C@@H](C)n2cccn2)nc1 ZINC000019216165 556711933 /nfs/dbraw/zinc/71/19/33/556711933.db2.gz BMJNIBKYQQWEQM-GOSISDBHSA-N 0 0 432.503 4.024 40 0 IIABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC3CCC(O)CC3)CCOCC2)cc1 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427.548 4.018 40 0 IIABRN Cc1ccc(CN(Cc2nnnn2C(C)(C)C)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000057643105 556748294 /nfs/dbraw/zinc/74/82/94/556748294.db2.gz SGLVGZPCYUPLPJ-UHFFFAOYSA-N 0 0 430.556 4.089 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cnccn1 ZINC000000921689 556750743 /nfs/dbraw/zinc/75/07/43/556750743.db2.gz RQZVLPVNEBNTPD-XMMPIXPASA-N 0 0 428.536 4.309 40 0 IIABRN CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccs1)N1c3ccc(Cl)cc3C=C[C@@H]21 ZINC000095190840 556752520 /nfs/dbraw/zinc/75/25/20/556752520.db2.gz IXPWLDCQXLRQGW-OOXHNLINSA-N 0 0 440.952 4.268 40 0 IIABRN Cc1cccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCCC3)c(=O)[nH]c12 ZINC000000926391 556753025 /nfs/dbraw/zinc/75/30/25/556753025.db2.gz PFIHPIFWUTZNDM-UHFFFAOYSA-N 0 0 442.567 4.206 40 0 IIABRN CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000928997 556754739 /nfs/dbraw/zinc/75/47/39/556754739.db2.gz OVAZRPZHXWZGHP-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 ZINC000000929549 556755270 /nfs/dbraw/zinc/75/52/70/556755270.db2.gz DDMLBRNBTZMBSW-GFCCVEGCSA-N 0 0 439.566 4.203 40 0 IIABRN CCc1cccc(CC)c1NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C ZINC000000929962 556755799 /nfs/dbraw/zinc/75/57/99/556755799.db2.gz QVANMXDQDZNPKS-UHFFFAOYSA-N 0 0 448.596 4.332 40 0 IIABRN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000058058872 556755905 /nfs/dbraw/zinc/75/59/05/556755905.db2.gz DNWSYLZVYUHWBV-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCc3ccccc3)cc2c1 ZINC000000931545 556757102 /nfs/dbraw/zinc/75/71/02/556757102.db2.gz OWHUYFJIFVWXGB-UHFFFAOYSA-N 0 0 447.560 4.249 40 0 IIABRN CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccncc3)C2=O)cc1 ZINC000095483649 556757333 /nfs/dbraw/zinc/75/73/33/556757333.db2.gz IOKLKWPWAMGOPM-SMIHKQSGSA-N 0 0 443.503 4.312 40 0 IIABRN C[C@@H](C(=O)N1c2ccccc2CCc2ccccc21)n1nnc(-c2ccc(N(C)C)cc2)n1 ZINC000000932086 556757875 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CC(C)c1nnc(CCC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)o1 ZINC000019694114 556849460 /nfs/dbraw/zinc/84/94/60/556849460.db2.gz GFMCPALTFHINDX-LJQANCHMSA-N 0 0 448.571 4.055 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019695678 556852498 /nfs/dbraw/zinc/85/24/98/556852498.db2.gz GJYPZGDWYBEMPK-JOCHJYFZSA-N 0 0 441.535 4.027 40 0 IIABRN COc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000260508121 556853311 /nfs/dbraw/zinc/85/33/11/556853311.db2.gz PTLOWIJJONDBHZ-GOSISDBHSA-N 0 0 446.613 4.416 40 0 IIABRN NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cccc(Oc3ncccn3)c2)CCO1 ZINC000019697600 556855084 /nfs/dbraw/zinc/85/50/84/556855084.db2.gz RFPJAWZINBJSJF-IBGZPJMESA-N 0 0 446.532 4.156 40 0 IIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1cccc([C@@H]2CCc3nncn3C2)c1 ZINC000019699112 556858411 /nfs/dbraw/zinc/85/84/11/556858411.db2.gz IYAIMONIIZVRQA-OAHLLOKOSA-N 0 0 437.352 4.257 40 0 IIABRN NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CCc2ccccc2)CC1 ZINC000019700159 556859669 /nfs/dbraw/zinc/85/96/69/556859669.db2.gz NADOTMMLJSSMRH-UHFFFAOYSA-N 0 0 427.548 4.018 40 0 IIABRN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C(=O)C5CCC5)C4)nc32)c1 ZINC000019703449 556861837 /nfs/dbraw/zinc/86/18/37/556861837.db2.gz PMFRAKYWORSYMV-JOCHJYFZSA-N 0 0 446.595 4.121 40 0 IIABRN COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCCN2C(=O)C2CCCCC2)nc3C)cc1 ZINC000019739941 556879335 /nfs/dbraw/zinc/87/93/35/556879335.db2.gz CFCRLMXYNDXJHM-JOCHJYFZSA-N 0 0 448.567 4.127 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)nc2c1CC(=O)N2CCc1ccc(F)cc1 ZINC000019740288 556880325 /nfs/dbraw/zinc/88/03/25/556880325.db2.gz QOZDMWUHVOGELN-NRFANRHFSA-N 0 0 438.547 4.156 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)C(C)(C)C)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019740407 556880337 /nfs/dbraw/zinc/88/03/37/556880337.db2.gz RUDOCXXFHXDVHG-OAQYLSRUSA-N 0 0 434.584 4.407 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccccn2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019740371 556880360 /nfs/dbraw/zinc/88/03/60/556880360.db2.gz QLIJESZVRKWXDN-NRFANRHFSA-N 0 0 433.556 4.017 40 0 IIABRN Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C(=O)C4CCCC4)nc32)cc1 ZINC000019740711 556881507 /nfs/dbraw/zinc/88/15/07/556881507.db2.gz IEJIDCFCTXJPNF-JOCHJYFZSA-N 0 0 432.568 4.427 40 0 IIABRN CC(C)(C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408908199 556886822 /nfs/dbraw/zinc/88/68/22/556886822.db2.gz VECXXMLBZLVJTN-UHFFFAOYSA-N 0 0 448.894 4.469 40 0 IIABRN CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)Cc3ccccn3)cc(C(F)(F)F)c12 ZINC000019742563 556886897 /nfs/dbraw/zinc/88/68/97/556886897.db2.gz NDQBDPYJXINRDL-MRXNPFEDSA-N 0 0 432.450 4.098 40 0 IIABRN Cc1ncc(C(=O)N2CCC([C@@]3(C)CCCCN(CCc4ccccc4)C3=O)CC2)c(C)n1 ZINC000019744034 556889595 /nfs/dbraw/zinc/88/95/95/556889595.db2.gz ODXIVWIWDRVBEC-HHHXNRCGSA-N 0 0 448.611 4.207 40 0 IIABRN Nc1n[nH]c2nc(C3CCN(C(=O)c4cccc5cccnc54)CC3)cc(C(F)(F)F)c12 ZINC000019745083 556891831 /nfs/dbraw/zinc/89/18/31/556891831.db2.gz RUCSIHKQPWCLON-UHFFFAOYSA-N 0 0 440.429 4.127 40 0 IIABRN COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1 ZINC000408919634 556891880 /nfs/dbraw/zinc/89/18/80/556891880.db2.gz ZJXBVQZVGHXNGD-UBFBPUDLSA-N 0 0 443.886 4.220 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019754765 556897708 /nfs/dbraw/zinc/89/77/08/556897708.db2.gz SYVBDNTXYOLIJD-QHCPKHFHSA-N 0 0 441.579 4.195 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)c1 ZINC000019755496 556898882 /nfs/dbraw/zinc/89/88/82/556898882.db2.gz LDGVMZYTVULBKI-QFIPXVFZSA-N 0 0 448.498 4.091 40 0 IIABRN O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCCC2)[C@@]1(O)C(F)(F)F ZINC000408954986 556899116 /nfs/dbraw/zinc/89/91/16/556899116.db2.gz NZYABCJGVSWIPV-MEDUHNTESA-N 0 0 425.234 4.402 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755766 556899224 /nfs/dbraw/zinc/89/92/24/556899224.db2.gz ITCNURDZQRBLQV-QFIPXVFZSA-N 0 0 432.499 4.473 40 0 IIABRN O=C(Nc1nccs1)c1cc([C@H]2CN(C(=O)C3CCCC3)CCO2)nc2ccccc21 ZINC000019759547 556903157 /nfs/dbraw/zinc/90/31/57/556903157.db2.gz OAJNKMCBSCAYND-HXUWFJFHSA-N 0 0 436.537 4.034 40 0 IIABRN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2c(F)cccc2Cl)C1)[C@@H]1CCCO1 ZINC000072330601 556906577 /nfs/dbraw/zinc/90/65/77/556906577.db2.gz FTXLTNVPTQTJCI-SSKFGXFMSA-N 0 0 431.939 4.123 40 0 IIABRN CCOC(=O)N[C@H](CC(=O)Nc1ccc(I)cc1)c1ccccc1 ZINC000408981741 556907980 /nfs/dbraw/zinc/90/79/80/556907980.db2.gz WOEPZRRNHMZBJN-MRXNPFEDSA-N 0 0 438.265 4.107 40 0 IIABRN Cc1noc(C)c1Cc1ccc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)o1 ZINC000072336675 556909460 /nfs/dbraw/zinc/90/94/60/556909460.db2.gz UCWOATPCHFTWFK-DEOSSOPVSA-N 0 0 434.492 4.361 40 0 IIABRN Cc1nc([C@@H]2CCCCN2CCOc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 ZINC000019765637 556910199 /nfs/dbraw/zinc/91/01/99/556910199.db2.gz DVTAZJONWCLBPV-QFIPXVFZSA-N 0 0 426.536 4.156 40 0 IIABRN COc1ccc(OC)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 ZINC000408996984 556912487 /nfs/dbraw/zinc/91/24/87/556912487.db2.gz CHPHHYXLHONKAV-NRFANRHFSA-N 0 0 439.512 4.117 40 0 IIABRN Cc1cc2nc(C3CCN(C(=O)CC[C@H]4CCCCC4=O)CC3)cc(C(F)(F)F)n2n1 ZINC000072340861 556912836 /nfs/dbraw/zinc/91/28/36/556912836.db2.gz FATRNQGXLVRPDY-MRXNPFEDSA-N 0 0 436.478 4.302 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)CCCc1ccccn1 ZINC000072341491 556914071 /nfs/dbraw/zinc/91/40/71/556914071.db2.gz AYFZGFHIPFNLQV-HSZRJFAPSA-N 0 0 444.583 4.385 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2c(Cl)cccc2Cl)cc1 ZINC000409006361 556916023 /nfs/dbraw/zinc/91/60/23/556916023.db2.gz NHNXRSZHBNQECP-UHFFFAOYSA-N 0 0 443.396 4.265 40 0 IIABRN CCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccnc2)CC1 ZINC000072345024 556916359 /nfs/dbraw/zinc/91/63/59/556916359.db2.gz SUDGBDBCYBAIIT-UHFFFAOYSA-N 0 0 442.563 4.135 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)cc1 ZINC000072346051 556917336 /nfs/dbraw/zinc/91/73/36/556917336.db2.gz PMMXJBHEPLTNIN-LJQANCHMSA-N 0 0 434.515 4.212 40 0 IIABRN C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)cc2N1 ZINC000072346535 556917950 /nfs/dbraw/zinc/91/79/50/556917950.db2.gz NODGNIUVCOKHQJ-YVEFUNNKSA-N 0 0 436.434 4.119 40 0 IIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)C1=O ZINC000409011719 556918135 /nfs/dbraw/zinc/91/81/35/556918135.db2.gz IEPOEYVVLPTOFR-OOWUWCJESA-N 0 0 441.505 4.262 40 0 IIABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCC1 ZINC000409011310 556918184 /nfs/dbraw/zinc/91/81/84/556918184.db2.gz FZWNFKYLOMWLDE-UHFFFAOYSA-N 0 0 434.989 4.370 40 0 IIABRN Cc1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1Cl ZINC000409017793 556919612 /nfs/dbraw/zinc/91/96/12/556919612.db2.gz VVLGVXITQABAOI-BKUYFWCQSA-N 0 0 448.910 4.279 40 0 IIABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)cc1OC ZINC000019816493 556919663 /nfs/dbraw/zinc/91/96/63/556919663.db2.gz OAHLXNAGHYTGCS-QGZVFWFLSA-N 0 0 446.532 4.347 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-n3ccnc3C(C)C)C2)cc1 ZINC000072350629 556920681 /nfs/dbraw/zinc/92/06/81/556920681.db2.gz VTNKPNLVLQREKG-HXUWFJFHSA-N 0 0 433.556 4.133 40 0 IIABRN Cc1nc2cc([C@H]3CCCN3Cc3ccccn3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000072351282 556920997 /nfs/dbraw/zinc/92/09/97/556920997.db2.gz VWKRXPJSVACWNZ-XMMPIXPASA-N 0 0 446.599 4.070 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccs1 ZINC000019820089 556923381 /nfs/dbraw/zinc/92/33/81/556923381.db2.gz MHFFLXSRDKLPCU-RTWAWAEBSA-N 0 0 431.517 4.413 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSC2CCCCC2)cc1)c1ccccc1 ZINC000409029294 556925103 /nfs/dbraw/zinc/92/51/03/556925103.db2.gz YOWCDPIQOMLCPL-UHFFFAOYSA-N 0 0 446.638 4.449 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Nc2ncccc2C)cn1 ZINC000072353165 556925779 /nfs/dbraw/zinc/92/57/79/556925779.db2.gz LESKXHYMJQCBEX-LJQANCHMSA-N 0 0 442.516 4.202 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc2)n1 ZINC000072353283 556926227 /nfs/dbraw/zinc/92/62/27/556926227.db2.gz OLXZZNBVMMGBGA-SFHVURJKSA-N 0 0 434.519 4.189 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSC1CCCCC1 ZINC000409027093 556926402 /nfs/dbraw/zinc/92/64/02/556926402.db2.gz YEZPQOBXNULTDH-UHFFFAOYSA-N 0 0 432.611 4.064 40 0 IIABRN CC(C)C(NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)C(C)C ZINC000409027582 556926669 /nfs/dbraw/zinc/92/66/69/556926669.db2.gz FYPSPCVRCSFYNF-SFHVURJKSA-N 0 0 432.586 4.430 40 0 IIABRN O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000409052627 556930784 /nfs/dbraw/zinc/93/07/84/556930784.db2.gz IXFXDPMDZLAOJZ-UHFFFAOYSA-N 0 0 446.378 4.194 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072358140 556931574 /nfs/dbraw/zinc/93/15/74/556931574.db2.gz HYYBQHRNUGMZAR-HSZRJFAPSA-N 0 0 425.960 4.248 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072358141 556931845 /nfs/dbraw/zinc/93/18/45/556931845.db2.gz HYYBQHRNUGMZAR-QHCPKHFHSA-N 0 0 425.960 4.248 40 0 IIABRN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860131 556932383 /nfs/dbraw/zinc/93/23/83/556932383.db2.gz ORRBNYCCPHCBTE-OAHLLOKOSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860838 556933150 /nfs/dbraw/zinc/93/31/50/556933150.db2.gz RLPBMPOOMDLCLA-MRXNPFEDSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000019868624 556935342 /nfs/dbraw/zinc/93/53/42/556935342.db2.gz QXSWVWNGYZJLEX-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN O=C(COc1ccccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1 ZINC000409067425 556942396 /nfs/dbraw/zinc/94/23/96/556942396.db2.gz QSEWJNNFNMXPCC-DEDYPNTBSA-N 0 0 447.878 4.455 40 0 IIABRN COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cs2)cc(C)n1 ZINC000072372717 556944154 /nfs/dbraw/zinc/94/41/54/556944154.db2.gz FXOHZMGHPJCSID-GOSISDBHSA-N 0 0 444.582 4.433 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)s1 ZINC000072372901 556944989 /nfs/dbraw/zinc/94/49/89/556944989.db2.gz OKLRKQGCKCYIFH-HXUWFJFHSA-N 0 0 448.596 4.183 40 0 IIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000409070548 556944990 /nfs/dbraw/zinc/94/49/90/556944990.db2.gz CBSLXKFONXHFCK-RVZJCZPVSA-N 0 0 441.505 4.180 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000072373846 556947079 /nfs/dbraw/zinc/94/70/79/556947079.db2.gz SCVLCVAZOANVJG-OAQYLSRUSA-N 0 0 433.600 4.419 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000019934157 556950192 /nfs/dbraw/zinc/95/01/92/556950192.db2.gz HQAFMZLBFHNYNG-WOJBJXKFSA-N 0 0 438.977 4.161 40 0 IIABRN CCOc1cccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000019934563 556950384 /nfs/dbraw/zinc/95/03/84/556950384.db2.gz MPFDUHZOWXURAV-UHFFFAOYSA-N 0 0 438.549 4.149 40 0 IIABRN COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935877 556951223 /nfs/dbraw/zinc/95/12/23/556951223.db2.gz WKOHKORCEGHYBK-HSZRJFAPSA-N 0 0 438.549 4.394 40 0 IIABRN 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CCOc1ccccc1N(CCCC(=O)N[C@@H](CC)c1ccc(C)cc1)S(C)(=O)=O ZINC000113962843 557382481 /nfs/dbraw/zinc/38/24/81/557382481.db2.gz SMWCTDXZWWYSSJ-FQEVSTJZSA-N 0 0 432.586 4.207 40 0 IIABRN CCOc1ccc(N(CCCC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000113962761 557382493 /nfs/dbraw/zinc/38/24/93/557382493.db2.gz VRWQWFRAUKIWQM-IBGZPJMESA-N 0 0 432.586 4.126 40 0 IIABRN CCOc1ccccc1NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000113963894 557382914 /nfs/dbraw/zinc/38/29/14/557382914.db2.gz ILWIRSMEXYTBOE-UHFFFAOYSA-N 0 0 442.512 4.443 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc2ccccc2c1 ZINC000222751348 557383034 /nfs/dbraw/zinc/38/30/34/557383034.db2.gz GGLJXDBUHVWEHU-UHFFFAOYSA-N 0 0 430.529 4.352 40 0 IIABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1 ZINC000222762152 557383855 /nfs/dbraw/zinc/38/38/55/557383855.db2.gz OHKNUVMTHFYAOS-OAQYLSRUSA-N 0 0 430.548 4.014 40 0 IIABRN COc1ccc(OCCCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222770208 557384712 /nfs/dbraw/zinc/38/47/12/557384712.db2.gz RCIILNPPKGRDDS-FQEVSTJZSA-N 0 0 440.584 4.495 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222777148 557385833 /nfs/dbraw/zinc/38/58/33/557385833.db2.gz ASGIAXZAKREMDY-NSHDSACASA-N 0 0 431.722 4.492 40 0 IIABRN CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222789350 557387094 /nfs/dbraw/zinc/38/70/94/557387094.db2.gz JQVAODDUQVZABU-OAQYLSRUSA-N 0 0 430.957 4.354 40 0 IIABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222824505 557390750 /nfs/dbraw/zinc/39/07/50/557390750.db2.gz CMJWMONPESJWQK-MRXNPFEDSA-N 0 0 432.948 4.059 40 0 IIABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840387 557392427 /nfs/dbraw/zinc/39/24/27/557392427.db2.gz JLDFJVJUROPVBJ-LJQANCHMSA-N 0 0 430.976 4.231 40 0 IIABRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)cc1 ZINC000013879479 557392504 /nfs/dbraw/zinc/39/25/04/557392504.db2.gz QTNXCYROQRKUQW-UHFFFAOYSA-N 0 0 426.542 4.140 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000222846423 557393115 /nfs/dbraw/zinc/39/31/15/557393115.db2.gz ADKRAAQPFGOIQW-OAQYLSRUSA-N 0 0 432.948 4.059 40 0 IIABRN C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222847676 557393370 /nfs/dbraw/zinc/39/33/70/557393370.db2.gz OCSIFZPYJRXLOK-HRAATJIYSA-N 0 0 449.378 4.248 40 0 IIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)[nH]c(C)c1I ZINC000222861254 557395312 /nfs/dbraw/zinc/39/53/12/557395312.db2.gz DXXJUNYDFPWTFH-HOTGVXAUSA-N 0 0 440.354 4.014 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222882270 557397421 /nfs/dbraw/zinc/39/74/21/557397421.db2.gz DOWFQHBYFRWFOI-QHCPKHFHSA-N 0 0 426.557 4.023 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000222886920 557398455 /nfs/dbraw/zinc/39/84/55/557398455.db2.gz KESKDOHTGHKPFB-QHCPKHFHSA-N 0 0 440.584 4.331 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1F ZINC000222895296 557399917 /nfs/dbraw/zinc/39/99/17/557399917.db2.gz WCLKQMGJUAJIOG-QFIPXVFZSA-N 0 0 446.588 4.400 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222912595 557401809 /nfs/dbraw/zinc/40/18/09/557401809.db2.gz SFHISUVWAXYPLP-MRXNPFEDSA-N 0 0 449.938 4.007 40 0 IIABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222915919 557402039 /nfs/dbraw/zinc/40/20/39/557402039.db2.gz UOIZJXMQHJGLRZ-OAHLLOKOSA-N 0 0 439.408 4.432 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccccc1F ZINC000222943203 557406674 /nfs/dbraw/zinc/40/66/74/557406674.db2.gz KQUKNDSKIVIKOB-QFIPXVFZSA-N 0 0 430.589 4.433 40 0 IIABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222945122 557406979 /nfs/dbraw/zinc/40/69/79/557406979.db2.gz HNCAOHKRFWCMEB-VXKWHMMOSA-N 0 0 434.565 4.287 40 0 IIABRN Cc1ccc(CN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000222947247 557407188 /nfs/dbraw/zinc/40/71/88/557407188.db2.gz TTZGFDQSTDGKEJ-UHFFFAOYSA-N 0 0 434.867 4.068 40 0 IIABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000222957305 557408189 /nfs/dbraw/zinc/40/81/89/557408189.db2.gz CIPKNDYLTPGDHV-SFHVURJKSA-N 0 0 446.975 4.451 40 0 IIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000222974639 557410107 /nfs/dbraw/zinc/41/01/07/557410107.db2.gz ITGIYOSCAISMOC-IBGZPJMESA-N 0 0 439.512 4.187 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000222975953 557410483 /nfs/dbraw/zinc/41/04/83/557410483.db2.gz GZDWXTDLEVSLKM-GOSISDBHSA-N 0 0 444.547 4.109 40 0 IIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)OC)cc1 ZINC000222990183 557412885 /nfs/dbraw/zinc/41/28/85/557412885.db2.gz GXRGQXZXBDKCSS-FCHUYYIVSA-N 0 0 434.565 4.432 40 0 IIABRN COc1ccccc1O[C@@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014009346 557418086 /nfs/dbraw/zinc/41/80/86/557418086.db2.gz ZQRKJSORYHVKAZ-NRFANRHFSA-N 0 0 430.548 4.396 40 0 IIABRN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cc(Cl)ccc1OC ZINC000014084734 557418936 /nfs/dbraw/zinc/41/89/36/557418936.db2.gz DOKMCMRGZHVTIB-UHFFFAOYSA-N 0 0 432.933 4.366 40 0 IIABRN COc1cccc(CN(C(=O)CCCOc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223046446 557420633 /nfs/dbraw/zinc/42/06/33/557420633.db2.gz ILSLARXWHBWDHY-HXUWFJFHSA-N 0 0 440.584 4.495 40 0 IIABRN COc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223049748 557421240 /nfs/dbraw/zinc/42/12/40/557421240.db2.gz BDHWCROGPRDODV-LJQANCHMSA-N 0 0 426.557 4.023 40 0 IIABRN COc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223059180 557423187 /nfs/dbraw/zinc/42/31/87/557423187.db2.gz CMEITWYALLVCEG-OAHLLOKOSA-N 0 0 434.939 4.362 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223061874 557423986 /nfs/dbraw/zinc/42/39/86/557423986.db2.gz SWRZTSZYQJCEMG-OPAMFIHVSA-N 0 0 432.561 4.127 40 0 IIABRN CCN(CC(=O)Nc1ccc(C)cc1Br)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223062216 557424015 /nfs/dbraw/zinc/42/40/15/557424015.db2.gz GZRQLPAJODWGCN-UHFFFAOYSA-N 0 0 445.766 4.060 40 0 IIABRN COc1ccc(CCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000014154555 557426177 /nfs/dbraw/zinc/42/61/77/557426177.db2.gz IDKJWRLUBHFWMI-DEOSSOPVSA-N 0 0 436.533 4.035 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223076074 557426693 /nfs/dbraw/zinc/42/66/93/557426693.db2.gz FHCYNURUXSIKFH-NRFANRHFSA-N 0 0 444.597 4.268 40 0 IIABRN COc1ccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223080435 557427743 /nfs/dbraw/zinc/42/77/43/557427743.db2.gz IGPFEWOABHTQFR-LJQANCHMSA-N 0 0 426.557 4.186 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000223083054 557428412 /nfs/dbraw/zinc/42/84/12/557428412.db2.gz QQOQZEJUIBMBRV-XMMPIXPASA-N 0 0 430.548 4.150 40 0 IIABRN COc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223083503 557428416 /nfs/dbraw/zinc/42/84/16/557428416.db2.gz WEAUJMWUVYYLOL-KRWDZBQOSA-N 0 0 446.975 4.368 40 0 IIABRN COc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223092242 557430077 /nfs/dbraw/zinc/43/00/77/557430077.db2.gz ULDIVMGOXSWKPK-LJQANCHMSA-N 0 0 426.557 4.023 40 0 IIABRN COc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223092116 557430160 /nfs/dbraw/zinc/43/01/60/557430160.db2.gz LRBSOKIKPQIUSI-LJQANCHMSA-N 0 0 426.557 4.023 40 0 IIABRN COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1OC ZINC000223105798 557432079 /nfs/dbraw/zinc/43/20/79/557432079.db2.gz HIPMTSIIEXOEES-LLVKDONJSA-N 0 0 443.297 4.151 40 0 IIABRN CC(=O)Nc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 ZINC000223106885 557432262 /nfs/dbraw/zinc/43/22/62/557432262.db2.gz LLZLXKZAUQIVMM-NSHDSACASA-N 0 0 440.297 4.092 40 0 IIABRN Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c1C ZINC000014291182 557434275 /nfs/dbraw/zinc/43/42/75/557434275.db2.gz MYOCNKBMWGJLOE-UHFFFAOYSA-N 0 0 443.975 4.279 40 0 IIABRN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2OC)cc1Cl ZINC000014291339 557434508 /nfs/dbraw/zinc/43/45/08/557434508.db2.gz FRKBRDAHEJKUJY-UHFFFAOYSA-N 0 0 443.916 4.474 40 0 IIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223124646 557435278 /nfs/dbraw/zinc/43/52/78/557435278.db2.gz QPOHZKBXXVKUHO-QHCPKHFHSA-N 0 0 435.955 4.401 40 0 IIABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC ZINC000223125183 557435323 /nfs/dbraw/zinc/43/53/23/557435323.db2.gz GHQBXQJUANLUKF-JOCHJYFZSA-N 0 0 430.976 4.233 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223139057 557437824 /nfs/dbraw/zinc/43/78/24/557437824.db2.gz MSSCGHPMGPSRAS-HXUWFJFHSA-N 0 0 438.568 4.032 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c2ccccc2O1 ZINC000223159644 557440072 /nfs/dbraw/zinc/44/00/72/557440072.db2.gz XMHSRXZZJKGIAQ-IBGZPJMESA-N 0 0 430.570 4.203 40 0 IIABRN C[C@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223169425 557441070 /nfs/dbraw/zinc/44/10/70/557441070.db2.gz IATHPNAEPZBKOK-ZDUSSCGKSA-N 0 0 441.380 4.126 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC ZINC000223193007 557444219 /nfs/dbraw/zinc/44/42/19/557444219.db2.gz QOIJTWWTJLSAMV-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000223194503 557444425 /nfs/dbraw/zinc/44/44/25/557444425.db2.gz OCSYWYAXIZNBIN-OAHLLOKOSA-N 0 0 432.973 4.104 40 0 IIABRN COC(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000014411510 557444542 /nfs/dbraw/zinc/44/45/42/557444542.db2.gz AENQQHNSHYRCOR-DEOSSOPVSA-N 0 0 446.528 4.500 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 ZINC000223198692 557444925 /nfs/dbraw/zinc/44/49/25/557444925.db2.gz GKAJUWIRGUJXRU-JKSUJKDBSA-N 0 0 449.364 4.463 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1CCCN1CCOCC1 ZINC000223199550 557445208 /nfs/dbraw/zinc/44/52/08/557445208.db2.gz GHGIWSLDESQZOR-RPWUZVMVSA-N 0 0 448.592 4.036 40 0 IIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c2ccccc2O1 ZINC000223203298 557445716 /nfs/dbraw/zinc/44/57/16/557445716.db2.gz BKIKXHQZAXPPLQ-HXUWFJFHSA-N 0 0 442.581 4.483 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223210487 557446409 /nfs/dbraw/zinc/44/64/09/557446409.db2.gz GUMXQUSEQBAQHE-MBSDFSHPSA-N 0 0 428.598 4.214 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223216248 557447019 /nfs/dbraw/zinc/44/70/19/557447019.db2.gz PQCWATASRWFUMZ-AREMUKBSSA-N 0 0 444.575 4.322 40 0 IIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000026117725 557448997 /nfs/dbraw/zinc/44/89/97/557448997.db2.gz NAMPSBMLZYXCFW-UHFFFAOYSA-N 0 0 448.610 4.024 40 0 IIABRN Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1C ZINC000223239438 557450005 /nfs/dbraw/zinc/45/00/05/557450005.db2.gz WLARCLIFMZJINJ-IBGZPJMESA-N 0 0 428.598 4.216 40 0 IIABRN CSc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1C(=O)N1CCCCCC1 ZINC000026119980 557450698 /nfs/dbraw/zinc/45/06/98/557450698.db2.gz ZKBLLGDEHHRLIU-UHFFFAOYSA-N 0 0 426.648 4.384 40 0 IIABRN CSc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)N1CCCCCC1 ZINC000026119825 557450741 /nfs/dbraw/zinc/45/07/41/557450741.db2.gz JUXRYIQPCRERPI-UHFFFAOYSA-N 0 0 444.622 4.172 40 0 IIABRN COc1ccc(Br)cc1S(=O)(=O)NCCCc1ccc(C(C)C)cc1 ZINC000223257164 557451581 /nfs/dbraw/zinc/45/15/81/557451581.db2.gz XDEARGYBCLDVMK-UHFFFAOYSA-N 0 0 426.376 4.492 40 0 IIABRN C[C@H]1Cc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2N1C(=O)c1ccccc1 ZINC000223268284 557453715 /nfs/dbraw/zinc/45/37/15/557453715.db2.gz BHMKVEUSYDFHFD-SFHVURJKSA-N 0 0 432.545 4.025 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223272734 557454601 /nfs/dbraw/zinc/45/46/01/557454601.db2.gz JFSIJFRGXIMQMW-HXUWFJFHSA-N 0 0 428.548 4.463 40 0 IIABRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223319024 557458769 /nfs/dbraw/zinc/45/87/69/557458769.db2.gz FVEAGCHYJLRAFK-PMOQBDJRSA-N 0 0 434.565 4.032 40 0 IIABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223319485 557458847 /nfs/dbraw/zinc/45/88/47/557458847.db2.gz FRIHMOIBRBZKAN-NKKJXINNSA-N 0 0 448.592 4.423 40 0 IIABRN CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1)S(C)(=O)=O ZINC000223326155 557459544 /nfs/dbraw/zinc/45/95/44/557459544.db2.gz WGLKRMDNBPHWDY-KRWDZBQOSA-N 0 0 432.586 4.404 40 0 IIABRN Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1NS(=O)(=O)c1ccccc1 ZINC000223346307 557460776 /nfs/dbraw/zinc/46/07/76/557460776.db2.gz GCMXENLWZFKYAY-UHFFFAOYSA-N 0 0 448.595 4.400 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C(C)C ZINC000223357189 557462036 /nfs/dbraw/zinc/46/20/36/557462036.db2.gz MKIDSPAEPJRWOV-SFHVURJKSA-N 0 0 444.597 4.403 40 0 IIABRN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015583725 557462679 /nfs/dbraw/zinc/46/26/79/557462679.db2.gz CNVMTTZDVXKPBU-UHFFFAOYSA-N 0 0 442.968 4.210 40 0 IIABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015577298 557462717 /nfs/dbraw/zinc/46/27/17/557462717.db2.gz QQYKQAGOOGIZBM-LBPRGKRZSA-N 0 0 431.316 4.172 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000015626085 557463059 /nfs/dbraw/zinc/46/30/59/557463059.db2.gz ZZDDDDJANAGXEY-UHFFFAOYSA-N 0 0 426.460 4.441 40 0 IIABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015653739 557463427 /nfs/dbraw/zinc/46/34/27/557463427.db2.gz OZAZDPKGMGGCIJ-UHFFFAOYSA-N 0 0 446.878 4.398 40 0 IIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NCc4ccccc4Cl)ccc32)cc1 ZINC000223373169 557463809 /nfs/dbraw/zinc/46/38/09/557463809.db2.gz BICXWFVCWWDSMR-UHFFFAOYSA-N 0 0 440.952 4.330 40 0 IIABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1C(C)C ZINC000223374694 557464298 /nfs/dbraw/zinc/46/42/98/557464298.db2.gz KVPSCJYGEVQUJP-INIZCTEOSA-N 0 0 430.570 4.076 40 0 IIABRN CCOc1ccc(C(=O)N2c3ccc(S(=O)(=O)Nc4ccccc4)cc3C[C@H]2C)cc1 ZINC000223378378 557464994 /nfs/dbraw/zinc/46/49/94/557464994.db2.gz FBRXOVMUYWXKGT-QGZVFWFLSA-N 0 0 436.533 4.478 40 0 IIABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3cc(C(C)C)c(OC)cc3C)ccc21 ZINC000223383134 557465363 /nfs/dbraw/zinc/46/53/63/557465363.db2.gz TUUMPTMNNQQMCA-QGZVFWFLSA-N 0 0 444.597 4.466 40 0 IIABRN COc1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000015935929 557467349 /nfs/dbraw/zinc/46/73/49/557467349.db2.gz CUUMKYKJDBDYEW-DEOSSOPVSA-N 0 0 444.535 4.322 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(OC)cc1 ZINC000223444870 557472761 /nfs/dbraw/zinc/47/27/61/557472761.db2.gz FTDCRKYDWMRRBN-RUZDIDTESA-N 0 0 448.538 4.153 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1cccnc1 ZINC000223448591 557473018 /nfs/dbraw/zinc/47/30/18/557473018.db2.gz AHUSJIUNSWNSOW-SJORKVTESA-N 0 0 431.384 4.473 40 0 IIABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)nc1 ZINC000223451443 557473208 /nfs/dbraw/zinc/47/32/08/557473208.db2.gz DUNJWAPJDWALAF-DHIUTWEWSA-N 0 0 426.549 4.143 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1 ZINC000223470699 557475806 /nfs/dbraw/zinc/47/58/06/557475806.db2.gz HOGTUGOPTGBDAI-IBGZPJMESA-N 0 0 428.598 4.262 40 0 IIABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000223481311 557477235 /nfs/dbraw/zinc/47/72/35/557477235.db2.gz IWKNNUGHUMPXBD-UHFFFAOYSA-N 0 0 446.931 4.033 40 0 IIABRN CCC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1 ZINC000017096711 557477448 /nfs/dbraw/zinc/47/74/48/557477448.db2.gz NUWFSDPYPSAOPA-UHFFFAOYSA-N 0 0 429.948 4.195 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223482471 557477532 /nfs/dbraw/zinc/47/75/32/557477532.db2.gz FEBPKVDQZHZPNC-UHFFFAOYSA-N 0 0 444.940 4.320 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223481991 557477535 /nfs/dbraw/zinc/47/75/35/557477535.db2.gz KALPTLMBNQBJOA-PGRDOPGGSA-N 0 0 432.586 4.042 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccncc1 ZINC000223484280 557477901 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CC(C)Oc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)c2ccccc12 ZINC000225924321 557793024 /nfs/dbraw/zinc/79/30/24/557793024.db2.gz POEVXJYJVBUJGB-UHFFFAOYSA-N 0 0 440.565 4.464 40 0 IIABRN CC1CCN(c2cc(N3CCCCC3)nc(NC(=S)NCc3ccc(F)cc3)n2)CC1 ZINC000225947363 557795908 /nfs/dbraw/zinc/79/59/08/557795908.db2.gz AJEIINHJCGIKQW-UHFFFAOYSA-N 0 0 442.608 4.329 40 0 IIABRN COc1cccc(N(C)C(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000225982932 557798902 /nfs/dbraw/zinc/79/89/02/557798902.db2.gz IHYZIVGFDXZRDH-UHFFFAOYSA-N 0 0 438.549 4.034 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000225982110 557798931 /nfs/dbraw/zinc/79/89/31/557798931.db2.gz LHSMCVDYBKZKRK-HXUWFJFHSA-N 0 0 436.577 4.192 40 0 IIABRN CN(C(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000225986035 557799344 /nfs/dbraw/zinc/79/93/44/557799344.db2.gz PSGVPXBUAYQUBH-UHFFFAOYSA-N 0 0 428.941 4.371 40 0 IIABRN COc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000225987559 557799470 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OYUYUJXYCFTNEV-UHFFFAOYSA-N 0 0 440.502 4.498 40 0 IIABRN Cc1nnc(Nc2cccc([C@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)s1 ZINC000257201016 568665316 /nfs/dbraw/zinc/66/53/16/568665316.db2.gz AFUVSBFXTIVIRB-LJQANCHMSA-N 0 0 441.532 4.047 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 ZINC000257201447 568665720 /nfs/dbraw/zinc/66/57/20/568665720.db2.gz AHTBLMOZDJKCEB-HXUWFJFHSA-N 0 0 440.503 4.148 40 0 IIABRN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1scnc1C ZINC000257202016 568666133 /nfs/dbraw/zinc/66/61/33/568666133.db2.gz AKCZLYIOOGEUKX-YLYPHGCXSA-N 0 0 437.609 4.457 40 0 IIABRN Cc1cnc2c(C(=O)N3CC[C@@H](c4c5ccccc5sc4C(=O)NC(C)C)C3)cnn2c1 ZINC000257202543 568666524 /nfs/dbraw/zinc/66/65/24/568666524.db2.gz AMGZXYHUDADUNC-MRXNPFEDSA-N 0 0 447.564 4.020 40 0 IIABRN CC(C)(C)c1ccc(C(=O)N2CCC(COc3ccc(F)cc3)(CC(N)=O)CC2)cc1 ZINC000257203202 568666730 /nfs/dbraw/zinc/66/67/30/568666730.db2.gz APATYKKXDRKFBT-UHFFFAOYSA-N 0 0 426.532 4.300 40 0 IIABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000257206013 568667858 /nfs/dbraw/zinc/66/78/58/568667858.db2.gz BBMXXGSIISORPV-HSZRJFAPSA-N 0 0 444.890 4.402 40 0 IIABRN COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1Cn1ccnc1C ZINC000257205956 568668031 /nfs/dbraw/zinc/66/80/31/568668031.db2.gz BBFNZVAMOYUMRY-FYTOQHKHSA-N 0 0 425.573 4.409 40 0 IIABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 ZINC000257208145 568668853 /nfs/dbraw/zinc/66/88/53/568668853.db2.gz BKXLLPZJSKYSDM-FQEVSTJZSA-N 0 0 439.519 4.358 40 0 IIABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1 ZINC000257208146 568668861 /nfs/dbraw/zinc/66/88/61/568668861.db2.gz BKXLLPZJSKYSDM-HXUWFJFHSA-N 0 0 439.519 4.358 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257209462 568669488 /nfs/dbraw/zinc/66/94/88/568669488.db2.gz BQMFODAEJYESJO-QFIPXVFZSA-N 0 0 440.547 4.119 40 0 IIABRN O=C(NC[C@H]1COc2ccccc2O1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257209686 568669766 /nfs/dbraw/zinc/66/97/66/568669766.db2.gz BRMHAJPTTHWUQD-QHCPKHFHSA-N 0 0 444.531 4.044 40 0 IIABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2ccc3oc(C)cc3c2)CC1 ZINC000257213775 568671441 /nfs/dbraw/zinc/67/14/41/568671441.db2.gz CJAPDFSVSMTNIO-NLJOTIRTSA-N 0 0 448.563 4.191 40 0 IIABRN CN(C)C(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccnc2)CC1 ZINC000257214277 568671785 /nfs/dbraw/zinc/67/17/85/568671785.db2.gz CLJHELXJNFGOFX-UHFFFAOYSA-N 0 0 447.604 4.292 40 0 IIABRN O=C(c1cncc(-c2cncnc2)c1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257218050 568673419 /nfs/dbraw/zinc/67/34/19/568673419.db2.gz DBQSYMTWWFXYEN-SFHVURJKSA-N 0 0 438.491 4.141 40 0 IIABRN COc1cc(C)c(CN2CCO[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)c(C)c1C ZINC000257218520 568673601 /nfs/dbraw/zinc/67/36/01/568673601.db2.gz DDLAGHAHBBGURM-SANMLTNESA-N 0 0 445.563 4.355 40 0 IIABRN COc1cc(C)c(CN2CCO[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)c(C)c1C ZINC000257218519 568673726 /nfs/dbraw/zinc/67/37/26/568673726.db2.gz DDLAGHAHBBGURM-AREMUKBSSA-N 0 0 445.563 4.355 40 0 IIABRN Cc1nccn1Cc1ccc(N[C@H](c2cccc(OC3CCCC3)c2)[C@H](O)[C@H](C)O)cc1 ZINC000257224145 568676065 /nfs/dbraw/zinc/67/60/65/568676065.db2.gz FAMPSCXQBHRXEP-FMLDBKJISA-N 0 0 435.568 4.456 40 0 IIABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000257227131 568677654 /nfs/dbraw/zinc/67/76/54/568677654.db2.gz FNVLUAKKCPBDLR-VWLOTQADSA-N 0 0 438.543 4.201 40 0 IIABRN COCc1ccc(OC)c(CN2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)c1 ZINC000257229938 568678816 /nfs/dbraw/zinc/67/88/16/568678816.db2.gz GABYNJFNGOIAEO-OAQYLSRUSA-N 0 0 440.569 4.319 40 0 IIABRN Cc1nc([C@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257230226 568679103 /nfs/dbraw/zinc/67/91/03/568679103.db2.gz GBJKAHLWXCNVCJ-KRWDZBQOSA-N 0 0 435.399 4.457 40 0 IIABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)o1 ZINC000257230951 568679320 /nfs/dbraw/zinc/67/93/20/568679320.db2.gz GEPBYYDKUUBNDX-IBGZPJMESA-N 0 0 436.556 4.226 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(Nc5cccc(C)n5)cc(C)n4)C3)c2c1 ZINC000257237640 568682763 /nfs/dbraw/zinc/68/27/63/568682763.db2.gz HHKLHIQVCRWLLJ-QFIPXVFZSA-N 0 0 442.523 4.235 40 0 IIABRN Cc1csc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4n[nH]c5ccc(C)cc54)CCO3)c2)n1 ZINC000257239437 568683493 /nfs/dbraw/zinc/68/34/93/568683493.db2.gz HPGRDACQYIAUNH-FQEVSTJZSA-N 0 0 448.552 4.297 40 0 IIABRN Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)cc1 ZINC000257246973 568687067 /nfs/dbraw/zinc/68/70/67/568687067.db2.gz IWUDXHBMPNJKTF-CVDCTZTESA-N 0 0 448.611 4.076 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 ZINC000257249601 568688521 /nfs/dbraw/zinc/68/85/21/568688521.db2.gz JJAVHZOZMCTLPE-XMSQKQJNSA-N 0 0 448.611 4.204 40 0 IIABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCCN2CCOc2ccccc2F)n1 ZINC000257250144 568688610 /nfs/dbraw/zinc/68/86/10/568688610.db2.gz JLESQAHVYYPZNU-QHCPKHFHSA-N 0 0 448.542 4.460 40 0 IIABRN CCn1cc(-c2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccccc5)o4)C3)on2)cn1 ZINC000257251175 568689205 /nfs/dbraw/zinc/68/92/05/568689205.db2.gz JPSWJNRGUVPKFV-GOSISDBHSA-N 0 0 431.496 4.157 40 0 IIABRN CC(=O)NCCCCCC(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257255592 568691267 /nfs/dbraw/zinc/69/12/67/568691267.db2.gz KICUUSNFMHVHEZ-TVPUMLRDSA-N 0 0 442.600 4.157 40 0 IIABRN O=C(c1cncc(Cc2cccc(F)c2)c1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000257256885 568691933 /nfs/dbraw/zinc/69/19/33/568691933.db2.gz KNHKPMQNLXKQOP-VWLOTQADSA-N 0 0 431.467 4.053 40 0 IIABRN Cc1cc(C(F)F)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 ZINC000257261122 568693619 /nfs/dbraw/zinc/69/36/19/568693619.db2.gz LFUCPSAEZTVPCG-MRXNPFEDSA-N 0 0 432.446 4.253 40 0 IIABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257261279 568693753 /nfs/dbraw/zinc/69/37/53/568693753.db2.gz LGOATVSNFFPMOI-NRFANRHFSA-N 0 0 441.510 4.412 40 0 IIABRN Cc1nc2ccccc2n1CC(=O)N1CCO[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000257263138 568694732 /nfs/dbraw/zinc/69/47/32/568694732.db2.gz LOOYYELKYIYNOV-AREMUKBSSA-N 0 0 440.547 4.239 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)on1 ZINC000257264737 568695247 /nfs/dbraw/zinc/69/52/47/568695247.db2.gz LVVRVLBZTNWLOO-OAQYLSRUSA-N 0 0 449.486 4.469 40 0 IIABRN CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3cccs3)nn2c1C ZINC000257269228 568697284 /nfs/dbraw/zinc/69/72/84/568697284.db2.gz MPCSDOLHDIMSJJ-NRFANRHFSA-N 0 0 425.602 4.204 40 0 IIABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)Cn3c(C)nc4ccccc43)C2)o1 ZINC000257271827 568698487 /nfs/dbraw/zinc/69/84/87/568698487.db2.gz MZYCDQCKOMZCIX-HXUWFJFHSA-N 0 0 444.535 4.338 40 0 IIABRN Cc1cccnc1Nc1cncc(C2CCN(C(=O)c3ccc4c(c3)CCCN4C)CC2)n1 ZINC000257273462 568699221 /nfs/dbraw/zinc/69/92/21/568699221.db2.gz NGQSHECSUCPKQN-UHFFFAOYSA-N 0 0 442.567 4.326 40 0 IIABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(Cc3cnn(C)c3)CCO2)n1 ZINC000257274448 568699695 /nfs/dbraw/zinc/69/96/95/568699695.db2.gz NLBYWVRVPRXLHT-QFIPXVFZSA-N 0 0 430.474 4.307 40 0 IIABRN CN(C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CCCc1ccncc1)C1CCCCC1 ZINC000257276005 568700412 /nfs/dbraw/zinc/70/04/12/568700412.db2.gz NRYULNAGKLMLNY-QFIPXVFZSA-N 0 0 437.588 4.286 40 0 IIABRN Cc1cc(Nc2cccc([C@@H]3CN(C(=O)C(C)(C)Oc4cccc(C)c4)CCO3)n2)no1 ZINC000257281261 568702842 /nfs/dbraw/zinc/70/28/42/568702842.db2.gz OOIXAHPZODZGFI-FQEVSTJZSA-N 0 0 436.512 4.188 40 0 IIABRN O=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCC[C@H](c2cncc(-c3ncc[nH]3)n2)C1 ZINC000257282822 568703526 /nfs/dbraw/zinc/70/35/26/568703526.db2.gz OVKXMBVGRDPARD-IBGZPJMESA-N 0 0 442.498 4.011 40 0 IIABRN COCCC(=O)NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)C[C@@H](c3ccccc3)O[C@H]2CC1 ZINC000257288261 568705781 /nfs/dbraw/zinc/70/57/81/568705781.db2.gz PTOBWAUGSNXTNF-HOIWYFOJSA-N 0 0 437.580 4.158 40 0 IIABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cncc(Cc3cccc(F)c3)c1)C2 ZINC000257288982 568706326 /nfs/dbraw/zinc/70/63/26/568706326.db2.gz PWMSGROGCKZHQR-CONSUNNSSA-N 0 0 435.543 4.206 40 0 IIABRN Cc1ccc(Nc2nccc(C3CCN(CC(=O)Nc4cc(C)ccc4F)CC3)n2)nc1 ZINC000257295482 568709175 /nfs/dbraw/zinc/70/91/75/568709175.db2.gz QYLZIAVSEQZFNV-UHFFFAOYSA-N 0 0 434.519 4.189 40 0 IIABRN COc1cccc2c1OC1(CC[NH+](Cc3ccc4c(c3)OCCO4)CC1)[C@H]1CCCO[C@H]21 ZINC000257296408 568709570 /nfs/dbraw/zinc/70/95/70/568709570.db2.gz RCSAYPHWNHEGLG-GBXCKJPGSA-N 0 0 437.536 4.361 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)c1OCc1ccccn1 ZINC000257297434 568710278 /nfs/dbraw/zinc/71/02/78/568710278.db2.gz RHFSRDYQOHLDPS-HXUWFJFHSA-N 0 0 446.551 4.150 40 0 IIABRN CCOC(=O)[C@H](c1cccc(Nc2cc[nH]n2)n1)C1CCN(C(=O)C2CCCCC2)CC1 ZINC000257303449 568712823 /nfs/dbraw/zinc/71/28/23/568712823.db2.gz SHHFTXJYKSWYLX-QFIPXVFZSA-N 0 0 439.560 4.014 40 0 IIABRN CCOc1ccc(CCCC(=O)N2CC[C@H](c3ncncc3-c3ccnc(N)c3)C2)cc1C ZINC000257304020 568713049 /nfs/dbraw/zinc/71/30/49/568713049.db2.gz SJSWBXABTDYWCY-NRFANRHFSA-N 0 0 445.567 4.167 40 0 IIABRN O=C(COCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257309683 568715326 /nfs/dbraw/zinc/71/53/26/568715326.db2.gz UBXKRPUPNWZJML-LJQANCHMSA-N 0 0 430.508 4.065 40 0 IIABRN COc1ccc(OCCc2cc([C@@H]3CN(Cc4cn(C)c5ccccc45)CCO3)[nH]n2)cc1 ZINC000257312747 568716894 /nfs/dbraw/zinc/71/68/94/568716894.db2.gz UPJFJMOTUFWCBR-SANMLTNESA-N 0 0 446.551 4.105 40 0 IIABRN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)c4cccc(Cn5ccnc5)c4)[C@@H]3C[C@@H]21 ZINC000257316930 568718663 /nfs/dbraw/zinc/71/86/63/568718663.db2.gz VHPNENHFMIVNTJ-TVYALGDOSA-N 0 0 443.547 4.463 40 0 IIABRN Cc1c(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)sc2ncn(C)c(=O)c12 ZINC000257319879 568720041 /nfs/dbraw/zinc/72/00/41/568720041.db2.gz VUKUHHXQOHKQHI-SFHVURJKSA-N 0 0 448.548 4.250 40 0 IIABRN Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257320667 568720262 /nfs/dbraw/zinc/72/02/62/568720262.db2.gz VXWCLGHXOFKMBK-QFIPXVFZSA-N 0 0 425.916 4.073 40 0 IIABRN Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)N1CC[C@H](c2ncncc2-c2ccnc(N)c2)C1 ZINC000257326317 568722858 /nfs/dbraw/zinc/72/28/58/568722858.db2.gz WWTRTFQQNSKCBP-IBGZPJMESA-N 0 0 440.551 4.086 40 0 IIABRN CCN(C(=O)CN1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1)c1cccc(C)c1 ZINC000257329824 568724439 /nfs/dbraw/zinc/72/44/39/568724439.db2.gz XLRRJTRLFOKECY-AZGAKELHSA-N 0 0 442.575 4.418 40 0 IIABRN CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257331922 568725140 /nfs/dbraw/zinc/72/51/40/568725140.db2.gz XUWVCQJZCQBPOL-DEOSSOPVSA-N 0 0 437.559 4.016 40 0 IIABRN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)COc4ccccc4OC)C3)o2)c1 ZINC000257331906 568725142 /nfs/dbraw/zinc/72/51/42/568725142.db2.gz XUTSVBLVLMYPRR-LJQANCHMSA-N 0 0 436.508 4.068 40 0 IIABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(C(C)C)no1)[C@H]2Cc1ccccc1 ZINC000257333859 568726008 /nfs/dbraw/zinc/72/60/08/568726008.db2.gz YDJZUSVMGJTJAK-XYYTWLRXSA-N 0 0 435.568 4.413 40 0 IIABRN CCCCc1nc(CN2CCN(CC)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)c[nH]1 ZINC000257334255 568726362 /nfs/dbraw/zinc/72/63/62/568726362.db2.gz YFEBPZMZIHNDCN-QHCPKHFHSA-N 0 0 445.611 4.337 40 0 IIABRN O=C(COc1ccc(F)cc1F)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257336021 568726713 /nfs/dbraw/zinc/72/67/13/568726713.db2.gz YMUXYWKPNQKLQP-MRXNPFEDSA-N 0 0 430.426 4.468 40 0 IIABRN Cc1cnc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cn1 ZINC000257336254 568727027 /nfs/dbraw/zinc/72/70/27/568727027.db2.gz YNRFONOERBNLNL-IPJJNNNSSA-N 0 0 446.473 4.209 40 0 IIABRN CC(C)Oc1ccccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3)n(C)n2)C1 ZINC000257336804 568727438 /nfs/dbraw/zinc/72/74/38/568727438.db2.gz YQCHXPFPWPFEPC-AREMUKBSSA-N 0 0 435.568 4.402 40 0 IIABRN CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@@H]3Cc2ccccc2)[nH]n1 ZINC000257336825 568727449 /nfs/dbraw/zinc/72/74/49/568727449.db2.gz YQEXEVSLFBCHPN-AMVJKZIMSA-N 0 0 448.611 4.368 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@@H](Cc2cccc3ccncc32)C1 ZINC000257341538 568729207 /nfs/dbraw/zinc/72/92/07/568729207.db2.gz ZKTQJZOPIPJPER-IBGZPJMESA-N 0 0 440.503 4.148 40 0 IIABRN COc1ccc(C2(C(=O)N3CCC[C@H]3c3ccnc(CNC(C)=O)c3)CCCCC2)cc1 ZINC000257342657 568729683 /nfs/dbraw/zinc/72/96/83/568729683.db2.gz ZPOXLYPUUNTQHL-DEOSSOPVSA-N 0 0 435.568 4.292 40 0 IIABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(F)c1 ZINC000261364412 568733357 /nfs/dbraw/zinc/73/33/57/568733357.db2.gz LHYUXRVFZVLUPK-OAQYLSRUSA-O 0 0 425.509 4.081 40 0 IIABRN COc1ccc(Nc2cccc3nc([C@@H]4CN(C(=O)c5csc(C)n5)CCO4)cn32)cc1 ZINC000306134442 568768372 /nfs/dbraw/zinc/76/83/72/568768372.db2.gz NNNNISLUONVTPU-FQEVSTJZSA-N 0 0 449.536 4.065 40 0 IIABRN CC(C)CC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@]2(C1)CCCN(Cc1ccccc1)C2=O ZINC000306134322 568768393 /nfs/dbraw/zinc/76/83/93/568768393.db2.gz NIXVHXGMEBOKNE-BKMJKUGQSA-N 0 0 436.600 4.245 40 0 IIABRN O=C(NCc1ccc(F)cc1)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306136244 568769352 /nfs/dbraw/zinc/76/93/52/568769352.db2.gz PNURZNQIIBAWCT-QFIPXVFZSA-N 0 0 442.494 4.381 40 0 IIABRN NC(=S)Nc1cccc(Cl)c1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000072230251 568783466 /nfs/dbraw/zinc/78/34/66/568783466.db2.gz JLGXVNYMPSJWBZ-UHFFFAOYSA-N 0 0 443.787 4.265 40 0 IIABRN CCn1nccc1C(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(-c3ccccc3)c21 ZINC000002795271 568789221 /nfs/dbraw/zinc/78/92/21/568789221.db2.gz VUKYWUGSAMWGMT-UHFFFAOYSA-N 0 0 441.463 4.469 40 0 IIABRN O=C(OCc1ccc(Br)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000100390995 568791353 /nfs/dbraw/zinc/79/13/53/568791353.db2.gz RKTIUTGRSVUQHA-KDURUIRLSA-N 0 0 442.309 4.486 40 0 IIABRN C[C@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000328974813 568808115 /nfs/dbraw/zinc/80/81/15/568808115.db2.gz FGTCTXPIZXGGJT-GFCCVEGCSA-N 0 0 438.837 4.076 40 0 IIABRN CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329003887 568809093 /nfs/dbraw/zinc/80/90/93/568809093.db2.gz KOWSILISMGNILD-UHFFFAOYSA-N 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COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)NCc3ccccc3)cc2c1 ZINC000001327379 568897859 /nfs/dbraw/zinc/89/78/59/568897859.db2.gz JERIXSHVMQETLA-UHFFFAOYSA-N 0 0 441.531 4.491 40 0 IIABRN COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4C)C3)n2)c1 ZINC000001360315 568898070 /nfs/dbraw/zinc/89/80/70/568898070.db2.gz KTEXMJDVOWCZHS-MRXNPFEDSA-N 0 0 447.944 4.275 40 0 IIABRN CCOC(=O)c1cc(CC)sc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000001904010 568919332 /nfs/dbraw/zinc/91/93/32/568919332.db2.gz AQFZOUSNCIFCCK-UHFFFAOYSA-N 0 0 442.537 4.282 40 0 IIABRN COc1ccc(N)cc1NC(=O)COc1c(C)cc(Br)cc1Br ZINC000057340361 568930187 /nfs/dbraw/zinc/93/01/87/568930187.db2.gz ZEDCIGJZCMXZOL-UHFFFAOYSA-N 0 0 444.123 4.128 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001561394 568940414 /nfs/dbraw/zinc/94/04/14/568940414.db2.gz IDEFOUDUSHBRKQ-UHFFFAOYSA-N 0 0 443.590 4.316 40 0 IIABRN COc1ccccc1-c1nn(CC(=O)Nc2c(C)cccc2C)c(=S)n1-n1cccc1 ZINC000016777987 569162027 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569224715 /nfs/dbraw/zinc/22/47/15/569224715.db2.gz WRLYOAVUMVAUAP-UHFFFAOYSA-N 0 0 448.342 4.471 40 0 IIABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015084332 569225254 /nfs/dbraw/zinc/22/52/54/569225254.db2.gz PBYFMFUPFIGNNM-UHFFFAOYSA-N 0 0 446.878 4.398 40 0 IIABRN O=C(NCc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000016024446 569225705 /nfs/dbraw/zinc/22/57/05/569225705.db2.gz IDEXKSMUCAUIDQ-UHFFFAOYSA-N 0 0 427.353 4.098 40 0 IIABRN Cc1ccc(CC(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cc1C ZINC000019692951 569228421 /nfs/dbraw/zinc/22/84/21/569228421.db2.gz DSDXQIRNBLWVOF-HSZRJFAPSA-N 0 0 448.542 4.108 40 0 IIABRN Cc1ccc(CC(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cc1C ZINC000019692948 569228432 /nfs/dbraw/zinc/22/84/32/569228432.db2.gz GAQNRLQDEGHVPX-QHCPKHFHSA-N 0 0 448.542 4.108 40 0 IIABRN Cc1cc(S(=O)(=O)N2CCO[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)ccc1F ZINC000019693294 569228706 /nfs/dbraw/zinc/22/87/06/569228706.db2.gz SXTXDXDPQVEIOE-LJQANCHMSA-N 0 0 447.919 4.007 40 0 IIABRN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693394 569228813 /nfs/dbraw/zinc/22/88/13/569228813.db2.gz AOVBHFXMNYOQRE-JOCHJYFZSA-N 0 0 448.473 4.354 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)Cc1cccs1 ZINC000019696416 569229774 /nfs/dbraw/zinc/22/97/74/569229774.db2.gz XDRVJPBBDLSHFM-DEOSSOPVSA-N 0 0 437.565 4.074 40 0 IIABRN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000019703312 569233047 /nfs/dbraw/zinc/23/30/47/569233047.db2.gz HNJNIIXAVBDLSX-INIZCTEOSA-N 0 0 449.532 4.048 40 0 IIABRN CCc1cc(C(=O)N2CC[C@H](c3cc(COc4cccc(C(F)(F)F)c4)n[nH]3)C2)on1 ZINC000019704650 569233556 /nfs/dbraw/zinc/23/35/56/569233556.db2.gz BDIKUOUWJOSJJJ-ZDUSSCGKSA-N 0 0 434.418 4.188 40 0 IIABRN CNc1cc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc(CN(C)C(C)=O)n1 ZINC000019710104 569234893 /nfs/dbraw/zinc/23/48/93/569234893.db2.gz NXDDGAOUEWLQDF-UHFFFAOYSA-N 0 0 436.387 4.183 40 0 IIABRN CCN(C(=O)c1cc(C)nc(N)n1)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000019711985 569235077 /nfs/dbraw/zinc/23/50/77/569235077.db2.gz UCKCNQCHSDJCDE-XUZZJYLKSA-N 0 0 446.551 4.425 40 0 IIABRN O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713104 569235534 /nfs/dbraw/zinc/23/55/34/569235534.db2.gz BSHCKMUSXIHFDU-JWQCQUIFSA-N 0 0 434.555 4.429 40 0 IIABRN Cn1nccc1C(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713718 569235640 /nfs/dbraw/zinc/23/56/40/569235640.db2.gz VSWYSSFUZBZLMC-DENIHFKCSA-N 0 0 448.489 4.015 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cc3cc(C)ccc3n2C)nc1C ZINC000019765542 569238949 /nfs/dbraw/zinc/23/89/49/569238949.db2.gz RVJKQICRGWBUNR-QFIPXVFZSA-N 0 0 447.583 4.435 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000024715950 569241816 /nfs/dbraw/zinc/24/18/16/569241816.db2.gz QIHOALPGTDATMI-OAQYLSRUSA-N 0 0 444.531 4.499 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)N1CCCCC1 ZINC000026116437 569242301 /nfs/dbraw/zinc/24/23/01/569242301.db2.gz PHFGHMKBTJFYKB-UHFFFAOYSA-N 0 0 439.002 4.167 40 0 IIABRN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000033499683 569244233 /nfs/dbraw/zinc/24/42/33/569244233.db2.gz VCNNRKALVQDQNR-MRXNPFEDSA-N 0 0 438.553 4.081 40 0 IIABRN COc1cc(C(=S)N2CCOCC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000033571314 569244498 /nfs/dbraw/zinc/24/44/98/569244498.db2.gz HJWJORLTWAKLSJ-UHFFFAOYSA-N 0 0 440.334 4.184 40 0 IIABRN Cc1c(OCc2nnc(SCC(=O)Nc3nccs3)n2C)ccc2ccccc21 ZINC000033701033 569245880 /nfs/dbraw/zinc/24/58/80/569245880.db2.gz WXGZKYRZTFGRRZ-UHFFFAOYSA-N 0 0 425.539 4.043 40 0 IIABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)o2)c1 ZINC000033705644 569245971 /nfs/dbraw/zinc/24/59/71/569245971.db2.gz YMJBTRVYHJIEJS-UHFFFAOYSA-N 0 0 431.901 4.221 40 0 IIABRN Cc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Cl ZINC000033740581 569246371 /nfs/dbraw/zinc/24/63/71/569246371.db2.gz KHNBOLDLDMRAML-UYRXBGFRSA-N 0 0 443.956 4.488 40 0 IIABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)cc1 ZINC000034735581 569247500 /nfs/dbraw/zinc/24/75/00/569247500.db2.gz KVQJFLCRFLHWNN-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000034880349 569247970 /nfs/dbraw/zinc/24/79/70/569247970.db2.gz KRLZVOLRUKIOMR-UHFFFAOYSA-N 0 0 431.901 4.221 40 0 IIABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000107659374 569250819 /nfs/dbraw/zinc/25/08/19/569250819.db2.gz CBFDNYHRKRKTBH-UHFFFAOYSA-N 0 0 426.538 4.100 40 0 IIABRN Cc1cc(C)cc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccccc2)c1 ZINC000145629870 569255186 /nfs/dbraw/zinc/25/51/86/569255186.db2.gz VCQUOJXUWSTTTI-UHFFFAOYSA-N 0 0 430.476 4.416 40 0 IIABRN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OCC ZINC000197862163 569255367 /nfs/dbraw/zinc/25/53/67/569255367.db2.gz KDFSWXCVPVLJDY-GZTJUZNOSA-N 0 0 445.338 4.017 40 0 IIABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000210164800 569255874 /nfs/dbraw/zinc/25/58/74/569255874.db2.gz DMSBJDRCQNEGRX-OAHLLOKOSA-N 0 0 430.913 4.438 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1C ZINC000231426328 569256448 /nfs/dbraw/zinc/25/64/48/569256448.db2.gz OMFDXKBKRZWRKE-UHFFFAOYSA-N 0 0 429.369 4.211 40 0 IIABRN CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CCO)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 ZINC000022060948 569257359 /nfs/dbraw/zinc/25/73/59/569257359.db2.gz ULLTWLWXPJPTQG-GCNJZUOMSA-N 0 0 445.603 4.379 40 0 IIABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1c(Cl)cccc1Cl ZINC000261363983 569315837 /nfs/dbraw/zinc/31/58/37/569315837.db2.gz IWYHVAUTOUPGOC-LJQANCHMSA-O 0 0 448.355 4.469 40 0 IIABRN CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Cl)ccc1N(C(C)=O)[C@H]2c1ccc(Cl)cc1 ZINC000261365725 569315999 /nfs/dbraw/zinc/31/59/99/569315999.db2.gz UWNUYDSDXVCJIC-GOSISDBHSA-O 0 0 434.328 4.079 40 0 IIABRN CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000019694513 569326634 /nfs/dbraw/zinc/32/66/34/569326634.db2.gz HUWFRMQUEJCNRJ-GOSISDBHSA-N 0 0 434.515 4.134 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)Cc1ccccc1 ZINC000019696425 569326813 /nfs/dbraw/zinc/32/68/13/569326813.db2.gz RNWKOZKMIANSIG-AREMUKBSSA-N 0 0 431.536 4.013 40 0 IIABRN Cc1cnc(C(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)CC2)cn1 ZINC000019700464 569327112 /nfs/dbraw/zinc/32/71/12/569327112.db2.gz GWMUITSAFJNZEO-UHFFFAOYSA-N 0 0 442.563 4.005 40 0 IIABRN CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2ccccn2)CC1 ZINC000019700460 569327193 /nfs/dbraw/zinc/32/71/93/569327193.db2.gz NDCQRMHLZCKNMM-UHFFFAOYSA-N 0 0 427.548 4.302 40 0 IIABRN COc1ccc(NC(=O)CN2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000019703720 569327269 /nfs/dbraw/zinc/32/72/69/569327269.db2.gz SUFDGHHWJYEHCO-RUZDIDTESA-N 0 0 449.595 4.175 40 0 IIABRN O=C(c1cccc2ncccc21)N1[C@H](Cc2ccccc2F)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713901 569327792 /nfs/dbraw/zinc/32/77/92/569327792.db2.gz KCNSGYWZOMBPEO-PUZWTLIVSA-N 0 0 431.511 4.259 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019742070 569328281 /nfs/dbraw/zinc/32/82/81/569328281.db2.gz VTCBGYOJZUSLDQ-QHCPKHFHSA-N 0 0 440.547 4.284 40 0 IIABRN COCCNC(=O)c1cc([C@H]2CN(C/C(C)=C/c3ccccc3)CCO2)nc2ccccc21 ZINC000019759649 569328702 /nfs/dbraw/zinc/32/87/02/569328702.db2.gz IDJIPWUIQBDRKI-YNZBZNKJSA-N 0 0 445.563 4.088 40 0 IIABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 ZINC000019766489 569329095 /nfs/dbraw/zinc/32/90/95/569329095.db2.gz QHBYQMGJLLORQI-XMMPIXPASA-N 0 0 442.563 4.401 40 0 IIABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 ZINC000019766488 569329132 /nfs/dbraw/zinc/32/91/32/569329132.db2.gz QHBYQMGJLLORQI-DEOSSOPVSA-N 0 0 442.563 4.401 40 0 IIABRN Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 ZINC000019767073 569329256 /nfs/dbraw/zinc/32/92/56/569329256.db2.gz XAZFZLIYVAYJEI-QHCPKHFHSA-N 0 0 446.526 4.150 40 0 IIABRN CC(C)c1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 ZINC000032127264 569583538 /nfs/dbraw/zinc/58/35/38/569583538.db2.gz VXEOYJBQAPTMNG-UHFFFAOYSA-N 0 0 440.594 4.383 40 0 IIABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc2nsnc2c1 ZINC000057312786 569583574 /nfs/dbraw/zinc/58/35/74/569583574.db2.gz MKCLKQXFDPJPJG-UHFFFAOYSA-N 0 0 440.362 4.735 40 0 IIABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](C)CO)n2)ccc1F ZINC000328979599 569583958 /nfs/dbraw/zinc/58/39/58/569583958.db2.gz GHGZRWYVZSUOAV-ZDUSSCGKSA-N 0 0 436.409 5.026 40 0 IIABRN CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 ZINC000030882079 291380837 /nfs/dbraw/zinc/38/08/37/291380837.db2.gz BUJXJQRWUOVWQM-ONTIZHBOSA-N 0 0 441.597 4.243 40 0 biogenic,in-vitro IIABRN CC1=C[C@@H](CNS(=O)(=O)Cc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 ZINC000030880179 291380842 /nfs/dbraw/zinc/38/08/42/291380842.db2.gz WGSUDVOQMHVMLX-FIXSFTCYSA-N 0 0 446.657 4.410 40 0 biogenic,in-vitro IIABRN CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCCSC ZINC000005414881 291381771 /nfs/dbraw/zinc/38/17/71/291381771.db2.gz FZAYDIYDCQZTHE-GJZGRUSLSA-N 0 0 431.524 4.455 40 0 biogenic,in-vitro IIABRN COc1ccc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000072320389 291383424 /nfs/dbraw/zinc/38/34/24/291383424.db2.gz VGNXXIHXIBOUBQ-KHYNBEDJSA-N 0 0 430.541 4.306 40 0 biogenic,in-vitro IIABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000006196602 193890998 /nfs/dbraw/zinc/89/09/98/193890998.db2.gz UQFAEUJBBFKICY-UHFFFAOYSA-N 0 0 445.972 4.162 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223240910 193956558 /nfs/dbraw/zinc/95/65/58/193956558.db2.gz GRMNWOBRKHZSOK-GOSISDBHSA-N 0 0 446.588 4.401 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 ZINC000223273573 193961113 /nfs/dbraw/zinc/96/11/13/193961113.db2.gz LZWSRNVGMUOKGU-RUZDIDTESA-N 0 0 445.563 4.003 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223284118 193962444 /nfs/dbraw/zinc/96/24/44/193962444.db2.gz MHXHKDNWDNOUBQ-GOSISDBHSA-N 0 0 432.586 4.079 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC ZINC000223315131 193965819 /nfs/dbraw/zinc/96/58/19/193965819.db2.gz UGXKLHKDFSVTCO-IBGZPJMESA-N 0 0 446.975 4.450 40 0 IIABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408616642 193982278 /nfs/dbraw/zinc/98/22/78/193982278.db2.gz ZRAGPFXPQFNCPS-IBGZPJMESA-N 0 0 445.494 4.056 40 0 IIABRN COc1c(Cl)cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1Cl ZINC000011613865 132338319 /nfs/dbraw/zinc/33/83/19/132338319.db2.gz LMSHWSZUCPEGIE-UHFFFAOYSA-N 0 0 449.787 4.475 40 0 IIABRN Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000013503731 132347288 /nfs/dbraw/zinc/34/72/88/132347288.db2.gz UVZMZRPWEWCKBL-XMMPIXPASA-N 0 0 432.572 4.104 40 0 IIABRN CC(C)(C)n1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000013561850 132349792 /nfs/dbraw/zinc/34/97/92/132349792.db2.gz MFYLJJVHEOPZHT-HXUWFJFHSA-N 0 0 444.505 4.359 40 0 IIABRN Cc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678437 132353104 /nfs/dbraw/zinc/35/31/04/132353104.db2.gz DSPPTHHCGSESLM-OAQYLSRUSA-N 0 0 442.924 4.243 40 0 IIABRN Cc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 ZINC000013678842 132353219 /nfs/dbraw/zinc/35/32/19/132353219.db2.gz APDLILAIAMQDIH-OAQYLSRUSA-N 0 0 442.924 4.243 40 0 IIABRN CC(=O)c1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000012471914 518342125 /nfs/dbraw/zinc/34/21/25/518342125.db2.gz GQPMRYPCNCWNIG-QFIPXVFZSA-N 0 0 448.548 4.188 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012637903 518745907 /nfs/dbraw/zinc/74/59/07/518745907.db2.gz DYDCDMVTUSGVCF-GOSISDBHSA-N 0 0 428.945 4.494 40 0 IIABRN CCOCCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCCC1 ZINC000012645118 519896104 /nfs/dbraw/zinc/89/61/04/519896104.db2.gz AKFRYJKIVRWHFT-UHFFFAOYSA-N 0 0 440.617 4.022 40 0 IIABRN CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)CCCOc2ccccc2F)C1 ZINC000012221012 520585798 /nfs/dbraw/zinc/58/57/98/520585798.db2.gz GTQADRKURRDAAJ-IBGZPJMESA-N 0 0 426.536 4.205 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223698218 520671551 /nfs/dbraw/zinc/67/15/51/520671551.db2.gz ICVMJCCBIOAISR-QFIPXVFZSA-N 0 0 438.568 4.380 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC ZINC000022537903 520780447 /nfs/dbraw/zinc/78/04/47/520780447.db2.gz NUECVIQWBUZVHJ-SFHVURJKSA-N 0 0 432.586 4.142 40 0 IIABRN CCOC(=O)COc1ccccc1[C@H]1CC(c2cccc(Br)c2)=NN1C(C)=O ZINC000085345015 520806921 /nfs/dbraw/zinc/80/69/21/520806921.db2.gz QJLDIVOTQIWVPA-LJQANCHMSA-N 0 0 445.313 4.089 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3F)cc2c1 ZINC000012708450 521282766 /nfs/dbraw/zinc/28/27/66/521282766.db2.gz MUQUHCVZSOZDSC-LJQANCHMSA-N 0 0 439.487 4.279 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1cc(C)ccc1C ZINC000012869183 521336215 /nfs/dbraw/zinc/33/62/15/521336215.db2.gz SDCPNYXACIOSAU-LJQANCHMSA-N 0 0 426.542 4.441 40 0 IIABRN CCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000020458848 521356618 /nfs/dbraw/zinc/35/66/18/521356618.db2.gz ZVKMCPXIAVLZDW-UHFFFAOYSA-N 0 0 438.549 4.433 40 0 IIABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000020572820 521384670 /nfs/dbraw/zinc/38/46/70/521384670.db2.gz UDSKMPLIGBOTBZ-UHFFFAOYSA-N 0 0 428.466 4.439 40 0 IIABRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000012846402 521388089 /nfs/dbraw/zinc/38/80/89/521388089.db2.gz ITXIZOPDQYHTKZ-UHFFFAOYSA-N 0 0 428.466 4.236 40 0 IIABRN CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1COc1ccc(OC)cc1 ZINC000014944468 521419221 /nfs/dbraw/zinc/41/92/21/521419221.db2.gz VSMRNGQYLHHCOR-UHFFFAOYSA-N 0 0 434.286 4.411 40 0 IIABRN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@@H](C)CCc1ccccc1)n2CC ZINC000012579259 521532296 /nfs/dbraw/zinc/53/22/96/521532296.db2.gz IDADHMHIIYZJCS-KRWDZBQOSA-N 0 0 439.581 4.463 40 0 IIABRN CCCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000022256582 521693299 /nfs/dbraw/zinc/69/32/99/521693299.db2.gz FTGOYACDTGYSCL-UHFFFAOYSA-N 0 0 435.933 4.308 40 0 IIABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000020461501 521774992 /nfs/dbraw/zinc/77/49/92/521774992.db2.gz USUVAVWRJBLQGQ-UHFFFAOYSA-N 0 0 432.611 4.288 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000020456584 521856050 /nfs/dbraw/zinc/85/60/50/521856050.db2.gz QUBFRFKTGGTZMW-ZEQRLZLVSA-N 0 0 436.577 4.445 40 0 IIABRN COc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc(OC)c1OC ZINC000012238654 522144986 /nfs/dbraw/zinc/14/49/86/522144986.db2.gz FOSHGVVZBFUIRT-IBGZPJMESA-N 0 0 448.523 4.008 40 0 IIABRN CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCc3cc(C)ccc3C)nnc1n(C)c2=O ZINC000033256776 522220969 /nfs/dbraw/zinc/22/09/69/522220969.db2.gz UYWBDJWVRFLACA-MRXNPFEDSA-N 0 0 449.580 4.019 40 0 IIABRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022362005 522381554 /nfs/dbraw/zinc/38/15/54/522381554.db2.gz MKOHULBDTPIXEZ-KRWDZBQOSA-N 0 0 445.368 4.036 40 0 IIABRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000022258923 522514360 /nfs/dbraw/zinc/51/43/60/522514360.db2.gz VIQLRKDJWJJZAH-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1)c1ccc(C)cc1 ZINC000020450516 522671039 /nfs/dbraw/zinc/67/10/39/522671039.db2.gz HBYNGQQEABCTQJ-HSZRJFAPSA-N 0 0 428.598 4.113 40 0 IIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1)c1ccc(C)cc1 ZINC000020489931 522681658 /nfs/dbraw/zinc/68/16/58/522681658.db2.gz GHDHZGQTUIMLOP-NRFANRHFSA-N 0 0 430.570 4.059 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3cccc(C)c3[nH]c1=O)N(C(=O)c1ccco1)CC2 ZINC000012471812 523048212 /nfs/dbraw/zinc/04/82/12/523048212.db2.gz NKIZLFMAJZVTCG-XMMPIXPASA-N 0 0 444.487 4.235 40 0 IIABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000022533181 523224265 /nfs/dbraw/zinc/22/42/65/523224265.db2.gz WZBPKZZUXHRYGD-UHFFFAOYSA-N 0 0 446.931 4.333 40 0 IIABRN CCc1c(C)sc2nc(C)nc(SCC(=O)N3CCN(c4ccccc4F)CC3)c12 ZINC000012500069 523720895 /nfs/dbraw/zinc/72/08/95/523720895.db2.gz OKJWUAAXHOFCJD-UHFFFAOYSA-N 0 0 444.601 4.451 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)NCC(C)C)cc2c1 ZINC000020448216 523845533 /nfs/dbraw/zinc/84/55/33/523845533.db2.gz WCEZWFBTBAJJQJ-UHFFFAOYSA-N 0 0 446.594 4.429 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)NC(C)C)cc2c1 ZINC000020448212 523845635 /nfs/dbraw/zinc/84/56/35/523845635.db2.gz UZJGYAYNRCYPBX-UHFFFAOYSA-N 0 0 432.567 4.182 40 0 IIABRN COc1ccc(C2(NC(=O)CCn3cnc4sc(C)c(C)c4c3=O)CCCCC2)cc1 ZINC000012143169 523867805 /nfs/dbraw/zinc/86/78/05/523867805.db2.gz RDHSAGQELIOYFH-UHFFFAOYSA-N 0 0 439.581 4.449 40 0 IIABRN COc1ccc(CC(=O)NCc2ccc(-c3nc(C)ncc3-c3cc(C)no3)cc2)cc1 ZINC000012159028 523903085 /nfs/dbraw/zinc/90/30/85/523903085.db2.gz IYIFREGKUXYSRQ-UHFFFAOYSA-N 0 0 428.492 4.283 40 0 IIABRN CCc1ccc(CN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012438541 523916994 /nfs/dbraw/zinc/91/69/94/523916994.db2.gz RUIDXYXFYJUNNR-ZHALLVOQSA-N 0 0 444.424 4.356 40 0 IIABRN CC[C@H](C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000022256505 523945142 /nfs/dbraw/zinc/94/51/42/523945142.db2.gz CLDYIDUBUOGZFR-AWEZNQCLSA-N 0 0 435.933 4.388 40 0 IIABRN CCc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000012637412 523957068 /nfs/dbraw/zinc/95/70/68/523957068.db2.gz PDRARJCWVRHVKU-QFIPXVFZSA-N 0 0 449.580 4.333 40 0 IIABRN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020451256 524065472 /nfs/dbraw/zinc/06/54/72/524065472.db2.gz MOQPDAKOSNGPRA-JOCHJYFZSA-N 0 0 428.598 4.171 40 0 IIABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3Cc3cccs3)c3ccccc3)CC2)c1 ZINC000035290634 524127188 /nfs/dbraw/zinc/12/71/88/524127188.db2.gz GIHDMPCVBFXYLU-XMMPIXPASA-N 0 0 444.608 4.311 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000022399980 524241591 /nfs/dbraw/zinc/24/15/91/524241591.db2.gz SGWSTGAZJUAQHK-QGZVFWFLSA-N 0 0 446.569 4.220 40 0 IIABRN COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 ZINC000035290391 524299565 /nfs/dbraw/zinc/29/95/65/524299565.db2.gz AVQZOOVIBAXHRI-UHFFFAOYSA-N 0 0 431.521 4.377 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)c(C)c1 ZINC000022540092 524316696 /nfs/dbraw/zinc/31/66/96/524316696.db2.gz WVHHDPFYVPKXCT-AZUAARDMSA-N 0 0 432.561 4.029 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)c(C)c1 ZINC000022540098 524318204 /nfs/dbraw/zinc/31/82/04/524318204.db2.gz WVHHDPFYVPKXCT-ICSRJNTNSA-N 0 0 432.561 4.029 40 0 IIABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428676 524363267 /nfs/dbraw/zinc/36/32/67/524363267.db2.gz RDIAMICICSBTEZ-LJQANCHMSA-N 0 0 438.549 4.076 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431565 524365227 /nfs/dbraw/zinc/36/52/27/524365227.db2.gz WLFNORAJIOVYNI-UHFFFAOYSA-N 0 0 440.540 4.296 40 0 IIABRN COc1ccccc1CC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000019755500 524379331 /nfs/dbraw/zinc/37/93/31/524379331.db2.gz HDHLPLLNTWSBCF-NRFANRHFSA-N 0 0 448.498 4.091 40 0 IIABRN Cc1ccc(CN(C[C@@H]2CCCO2)c2nc(C)nc3c2CN(Cc2ccccc2)CC3)o1 ZINC000012183264 524418085 /nfs/dbraw/zinc/41/80/85/524418085.db2.gz RFVRZUFKKNWXDU-QFIPXVFZSA-N 0 0 432.568 4.430 40 0 IIABRN Cc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000012469874 524422269 /nfs/dbraw/zinc/42/22/69/524422269.db2.gz KJMZYHJUAKFTLP-JPYJTQIMSA-N 0 0 439.585 4.049 40 0 IIABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccccc3F)cc2)S(C)(=O)=O)cc1 ZINC000022231611 524423905 /nfs/dbraw/zinc/42/39/05/524423905.db2.gz AVEXVZBRYXNWJS-UHFFFAOYSA-N 0 0 442.512 4.118 40 0 IIABRN COc1ccccc1CN(C)C(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000020452429 524432779 /nfs/dbraw/zinc/43/27/79/524432779.db2.gz DOFRMCQNHPFFRL-UHFFFAOYSA-N 0 0 438.549 4.385 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(Br)cc23)cc1 ZINC000035289271 524514869 /nfs/dbraw/zinc/51/48/69/524514869.db2.gz LFMARQHGIIKARN-UHFFFAOYSA-N 0 0 444.314 4.008 40 0 IIABRN COc1ccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)cc1OC ZINC000016777980 524533271 /nfs/dbraw/zinc/53/32/71/524533271.db2.gz APZZLTHQDHNUDK-UHFFFAOYSA-N 0 0 441.557 4.231 40 0 IIABRN Cc1ccc(CNC(=S)Nc2nc(N3CCC[C@@H](C)C3)cc(N3CCCCCC3)n2)o1 ZINC000225915468 524570086 /nfs/dbraw/zinc/57/00/86/524570086.db2.gz WZMSRYVNKWXEEA-QGZVFWFLSA-N 0 0 442.633 4.481 40 0 IIABRN COc1ccc(OC)c(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022251038 524811124 /nfs/dbraw/zinc/81/11/24/524811124.db2.gz HOTODMIZVVPPTL-UHFFFAOYSA-N 0 0 430.548 4.180 40 0 IIABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1 ZINC000012492857 524876701 /nfs/dbraw/zinc/87/67/01/524876701.db2.gz ANIXKJBPKNRMEP-XUZZJYLKSA-N 0 0 449.576 4.064 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000012471495 524879101 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SQMBWOGUQPRLLN-LBPRGKRZSA-N 0 0 431.341 4.006 40 0 IIABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)c1C ZINC000408615011 555986143 /nfs/dbraw/zinc/98/61/43/555986143.db2.gz KSYLWAQMJSWLID-NRFANRHFSA-N 0 0 441.531 4.225 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCCCC3)cc2)cc1 ZINC000408615981 555986980 /nfs/dbraw/zinc/98/69/80/555986980.db2.gz DPNCPQGXVDEVOL-UHFFFAOYSA-N 0 0 430.570 4.363 40 0 IIABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000408616220 555987376 /nfs/dbraw/zinc/98/73/76/555987376.db2.gz XPQVQNBJAFDKDN-IBGZPJMESA-N 0 0 445.494 4.056 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)Cc2ccccc2)cc1 ZINC000408625055 555995613 /nfs/dbraw/zinc/99/56/13/555995613.db2.gz VGIZTINPXAZFHH-UHFFFAOYSA-N 0 0 438.549 4.223 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)C2CCCCC2)cc1 ZINC000408626575 555997558 /nfs/dbraw/zinc/99/75/58/555997558.db2.gz ZRHPDGVXMUWNOW-UHFFFAOYSA-N 0 0 436.618 4.248 40 0 IIABRN O=C(NCc1ccc2c(c1)OCO2)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408635381 556012781 /nfs/dbraw/zinc/01/27/81/556012781.db2.gz AHEHFCRRFNPJMO-UHFFFAOYSA-N 0 0 432.863 4.488 40 0 IIABRN CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000408635474 556013180 /nfs/dbraw/zinc/01/31/80/556013180.db2.gz BVWVFGQQTNYVPV-UHFFFAOYSA-N 0 0 445.368 4.479 40 0 IIABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O ZINC000408637845 556015232 /nfs/dbraw/zinc/01/52/32/556015232.db2.gz AJWRMFCKIZNHEN-QGZVFWFLSA-N 0 0 428.916 4.453 40 0 IIABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O ZINC000408637844 556015310 /nfs/dbraw/zinc/01/53/10/556015310.db2.gz AJWRMFCKIZNHEN-KRWDZBQOSA-N 0 0 428.916 4.453 40 0 IIABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O ZINC000408640874 556016882 /nfs/dbraw/zinc/01/68/82/556016882.db2.gz KCODDELPIGTZNA-HNNXBMFYSA-N 0 0 431.330 4.456 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)o2)cc1 ZINC000408637329 556020502 /nfs/dbraw/zinc/02/05/02/556020502.db2.gz IOBAEPPOEHKJRE-UHFFFAOYSA-N 0 0 447.900 4.306 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000408646035 556022013 /nfs/dbraw/zinc/02/20/13/556022013.db2.gz NJDRRIFHLSOZLH-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN COc1ccc(CC(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)cc1 ZINC000408646376 556022117 /nfs/dbraw/zinc/02/21/17/556022117.db2.gz OSDRMXPVSVBPBE-UHFFFAOYSA-N 0 0 426.694 4.144 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 ZINC000408644774 556024811 /nfs/dbraw/zinc/02/48/11/556024811.db2.gz RTZLXFPLPAXBHG-INIZCTEOSA-N 0 0 444.915 4.297 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(C)ccc1C ZINC000408648831 556029538 /nfs/dbraw/zinc/02/95/38/556029538.db2.gz ZZRQSNLZEPZJBE-UHFFFAOYSA-N 0 0 432.904 4.256 40 0 IIABRN O=C(Nc1ccccc1C(F)(F)F)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 ZINC000408654670 556032920 /nfs/dbraw/zinc/03/29/20/556032920.db2.gz GJJOZOKFBQMAIT-JEKTVJEGSA-N 0 0 444.409 4.094 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)c1 ZINC000408656070 556035122 /nfs/dbraw/zinc/03/51/22/556035122.db2.gz FGRLYCIMZLTROX-LPTQZCDUSA-N 0 0 448.519 4.025 40 0 IIABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408654315 556035151 /nfs/dbraw/zinc/03/51/51/556035151.db2.gz QJUJUEDKBIWACB-NJAFHUGGSA-N 0 0 438.911 4.144 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408657287 556037781 /nfs/dbraw/zinc/03/77/81/556037781.db2.gz OWKUNVBJNAWSCD-KRWDZBQOSA-N 0 0 436.895 4.336 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)c1 ZINC000408659507 556039398 /nfs/dbraw/zinc/03/93/98/556039398.db2.gz JWUKRGZRYVGTKD-KRWDZBQOSA-N 0 0 442.471 4.148 40 0 IIABRN CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc3ccccc32)c1 ZINC000408664442 556045316 /nfs/dbraw/zinc/04/53/16/556045316.db2.gz QVASPEIEANAYCA-UHFFFAOYSA-N 0 0 432.476 4.333 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408664102 556048269 /nfs/dbraw/zinc/04/82/69/556048269.db2.gz YRTGXVKIKJILCR-IIAWOOMASA-N 0 0 444.940 4.063 40 0 IIABRN Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000408664576 556052347 /nfs/dbraw/zinc/05/23/47/556052347.db2.gz RJJISZDNNRRSGN-UHFFFAOYSA-N 0 0 447.329 4.275 40 0 IIABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O ZINC000408664528 556052356 /nfs/dbraw/zinc/05/23/56/556052356.db2.gz QQALCGKWOIMVCR-SFHVURJKSA-N 0 0 442.943 4.308 40 0 IIABRN CC(=O)O[C@H]1N(C(C)=O)[C@H](SC23CC4CC(CC(C4)C2)C3)C(C)=C[C@@]1(C)OC(C)=O ZINC000005432789 556052581 /nfs/dbraw/zinc/05/25/81/556052581.db2.gz BECSDSMCMZTCPM-KHNMDXFHSA-N 0 0 435.586 4.034 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NC1CCCCCC1 ZINC000408675558 556067888 /nfs/dbraw/zinc/06/78/88/556067888.db2.gz ISBTYSDGJAANLU-UHFFFAOYSA-N 0 0 434.533 4.153 40 0 IIABRN CCCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)c2)cc1 ZINC000408676542 556069309 /nfs/dbraw/zinc/06/93/09/556069309.db2.gz DHCUEBSAUNHOEH-FGZHOGPDSA-N 0 0 446.503 4.351 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000408679158 556073816 /nfs/dbraw/zinc/07/38/16/556073816.db2.gz VELJMIXAALKJDQ-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000408680300 556074885 /nfs/dbraw/zinc/07/48/85/556074885.db2.gz GBTXCRICDLCKII-DENIHFKCSA-N 0 0 444.535 4.037 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408680066 556074926 /nfs/dbraw/zinc/07/49/26/556074926.db2.gz YIRBSTCWYMUVEF-UHFFFAOYSA-N 0 0 432.448 4.092 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000408681165 556076079 /nfs/dbraw/zinc/07/60/79/556076079.db2.gz HHCUPFYSMCIOFV-ZMYBRWDISA-N 0 0 428.891 4.458 40 0 IIABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1CC ZINC000035351131 556080694 /nfs/dbraw/zinc/08/06/94/556080694.db2.gz KKAFAWBJHOZBIL-ROUUACIJSA-N 0 0 446.617 4.371 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000408683681 556083499 /nfs/dbraw/zinc/08/34/99/556083499.db2.gz LZIQXFJLSISYCP-OAQYLSRUSA-N 0 0 444.535 4.097 40 0 IIABRN COc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl ZINC000408695161 556097243 /nfs/dbraw/zinc/09/72/43/556097243.db2.gz LMKCMDVFFVHQCR-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN COc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2cccc(C)c2)cc1 ZINC000408698885 556101566 /nfs/dbraw/zinc/10/15/66/556101566.db2.gz SPWTYKZHOKAQTR-UHFFFAOYSA-N 0 0 427.460 4.291 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1c(Cl)cccc1Cl ZINC000408701650 556105111 /nfs/dbraw/zinc/10/51/11/556105111.db2.gz BPWFMFOUTILYMA-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000408703457 556108527 /nfs/dbraw/zinc/10/85/27/556108527.db2.gz RYSRHJNYCBBORD-LJQANCHMSA-N 0 0 429.520 4.267 40 0 IIABRN CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(CC)cc1 ZINC000408710070 556116574 /nfs/dbraw/zinc/11/65/74/556116574.db2.gz NRDGXZPOFWCYGU-FQEVSTJZSA-N 0 0 437.584 4.450 40 0 IIABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2Cl)cc1 ZINC000408709793 556117817 /nfs/dbraw/zinc/11/78/17/556117817.db2.gz HYOVKPDYCLKEGF-UHFFFAOYSA-N 0 0 449.938 4.087 40 0 IIABRN COc1ccc(Cl)cc1C(=O)Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1 ZINC000408713066 556125076 /nfs/dbraw/zinc/12/50/76/556125076.db2.gz IZGAYXMSJJPRMC-UHFFFAOYSA-N 0 0 430.913 4.288 40 0 IIABRN CCOC(=O)C1C(Nc2ccc(C)cc2)=C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000008687513 556200265 /nfs/dbraw/zinc/20/02/65/556200265.db2.gz KYSRVHAIFGMNEQ-POGFHVCPSA-N 0 0 437.536 4.342 40 0 IIABRN Cc1cc(NC(=O)[C@@H](C)CC(=O)OCc2ccccc2)ccc1I ZINC000408737177 556205829 /nfs/dbraw/zinc/20/58/29/556205829.db2.gz LQNWHNPBTVVVIF-AWEZNQCLSA-N 0 0 437.277 4.308 40 0 IIABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000009026276 556241671 /nfs/dbraw/zinc/24/16/71/556241671.db2.gz DRWSKMDYWLZWEW-UHFFFAOYSA-N 0 0 440.569 4.254 40 0 IIABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C(=O)OC(C)C)o2)cc1 ZINC000009199259 556256996 /nfs/dbraw/zinc/25/69/96/556256996.db2.gz RFBVKDZXIAQLEH-UHFFFAOYSA-N 0 0 425.510 4.265 40 0 IIABRN CC(=O)Nc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000009233325 556262044 /nfs/dbraw/zinc/26/20/44/556262044.db2.gz LPLBTOUFSGGHRJ-NGYBGAFCSA-N 0 0 430.869 4.264 40 0 IIABRN COc1cc(Br)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1OC ZINC000009322985 556281393 /nfs/dbraw/zinc/28/13/93/556281393.db2.gz CHOLHYHLMNWYMU-VGOFMYFVSA-N 0 0 437.677 4.217 40 0 IIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013708376 556283532 /nfs/dbraw/zinc/28/35/32/556283532.db2.gz UEMAFDSFADPFTQ-GOSISDBHSA-N 0 0 438.549 4.420 40 0 IIABRN CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715898 556287376 /nfs/dbraw/zinc/28/73/76/556287376.db2.gz KCPJJASUKVWYCP-QFIPXVFZSA-N 0 0 440.540 4.276 40 0 IIABRN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000009702708 556306898 /nfs/dbraw/zinc/30/68/98/556306898.db2.gz RZUDTGXOJFTSHN-UHFFFAOYSA-N 0 0 434.492 4.028 40 0 IIABRN CC(C)C(NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)C(C)C ZINC000010008036 556320438 /nfs/dbraw/zinc/32/04/38/556320438.db2.gz VHTINRHYOIJXCB-INIZCTEOSA-N 0 0 449.444 4.332 40 0 IIABRN CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000010008725 556320777 /nfs/dbraw/zinc/32/07/77/556320777.db2.gz PGXTWSKHUHHBEC-UHFFFAOYSA-N 0 0 432.611 4.022 40 0 IIABRN COc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010326892 556331483 /nfs/dbraw/zinc/33/14/83/556331483.db2.gz BUEHRRSPVGGPLD-QGZVFWFLSA-N 0 0 436.533 4.396 40 0 IIABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000010333797 556332470 /nfs/dbraw/zinc/33/24/70/556332470.db2.gz FGOCNNMQYONQFG-GFCCVEGCSA-N 0 0 449.787 4.426 40 0 IIABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000010333791 556332580 /nfs/dbraw/zinc/33/25/80/556332580.db2.gz FGOCNNMQYONQFG-LBPRGKRZSA-N 0 0 449.787 4.426 40 0 IIABRN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693427 556337585 /nfs/dbraw/zinc/33/75/85/556337585.db2.gz HOJVJKULSPJTPD-UHFFFAOYSA-N 0 0 447.428 4.374 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000010977903 556338778 /nfs/dbraw/zinc/33/87/78/556338778.db2.gz FYZCQTFYTNYXSJ-OAHLLOKOSA-N 0 0 436.961 4.014 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000011170073 556339466 /nfs/dbraw/zinc/33/94/66/556339466.db2.gz VLTBEVIIMLRJKQ-GOSISDBHSA-N 0 0 430.570 4.059 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)cc1 ZINC000013993583 556353171 /nfs/dbraw/zinc/35/31/71/556353171.db2.gz WOHCSDNFSWGBGV-KRWDZBQOSA-N 0 0 440.521 4.210 40 0 IIABRN COc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4nc5ccccc5cc4N)C3)cc2c1OC ZINC000012088027 556400977 /nfs/dbraw/zinc/40/09/77/556400977.db2.gz BBIAYXQWNJWSKX-MRXNPFEDSA-N 0 0 430.508 4.335 40 0 IIABRN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(=O)Nc4ccccn4)CC3)c12 ZINC000012088723 556401506 /nfs/dbraw/zinc/40/15/06/556401506.db2.gz UTJFPZMDKRQKSD-UHFFFAOYSA-N 0 0 448.571 4.040 40 0 IIABRN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000014577044 556427361 /nfs/dbraw/zinc/42/73/61/556427361.db2.gz HRTHCEDOHQNVRE-VWLOTQADSA-N 0 0 448.588 4.302 40 0 IIABRN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc(Cl)c(OCC)c(OCC)c1 ZINC000015017298 556486473 /nfs/dbraw/zinc/48/64/73/556486473.db2.gz GFQAOHPBRMIJOP-HXUWFJFHSA-N 0 0 444.915 4.466 40 0 IIABRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000030447052 556494642 /nfs/dbraw/zinc/49/46/42/556494642.db2.gz BKQVFSPPJROBBD-UHFFFAOYSA-N 0 0 446.528 4.449 40 0 IIABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)CC1(OCCO1)[C@H]1[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@@H]12 ZINC000013408337 556504862 /nfs/dbraw/zinc/50/48/62/556504862.db2.gz HTNZYSVFPBNFFP-NUNPFQGQSA-N 0 0 434.573 4.057 40 0 IIABRN CCOC(=O)[C@H]1C(=N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000013410344 556505189 /nfs/dbraw/zinc/50/51/89/556505189.db2.gz TYKOLYCDCQTMSH-DOTOQJQBSA-N 0 0 442.265 4.236 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000030852884 556509373 /nfs/dbraw/zinc/50/93/73/556509373.db2.gz OSWRDLINUBDMMG-QFIPXVFZSA-N 0 0 444.597 4.387 40 0 IIABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000030853804 556509668 /nfs/dbraw/zinc/50/96/68/556509668.db2.gz CGERVLCEIZNJDO-UHFFFAOYSA-N 0 0 434.561 4.132 40 0 IIABRN Cc1nn(C)cc1C[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 ZINC000036614317 556510795 /nfs/dbraw/zinc/51/07/95/556510795.db2.gz ORXFSOHGLDJYOD-INIZCTEOSA-N 0 0 442.567 4.068 40 0 IIABRN Cc1cc2c(cc1Br)C(=O)[C@@](CN1CCOCC1)(Sc1ccccc1)CO2 ZINC000015229085 556512708 /nfs/dbraw/zinc/51/27/08/556512708.db2.gz WSQRJFPEFISZPU-NRFANRHFSA-N 0 0 448.382 4.196 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000030867533 556512839 /nfs/dbraw/zinc/51/28/39/556512839.db2.gz WGFCMJFSPJDWII-HXUWFJFHSA-N 0 0 438.977 4.018 40 0 IIABRN CCN(Cc1c(C)nn(CC)c1C)C(=O)c1cc(C)nc2c1cnn2-c1ccccc1F ZINC000036616033 556516154 /nfs/dbraw/zinc/51/61/54/556516154.db2.gz AFXMXXGUPFZXNQ-UHFFFAOYSA-N 0 0 434.519 4.364 40 0 IIABRN COc1cc(OC)c([C@H]2C[C@@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430365 556523628 /nfs/dbraw/zinc/52/36/28/556523628.db2.gz OOROCWPUUPSFBN-XDHUDOTRSA-N 0 0 427.497 4.168 40 0 IIABRN C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000015398041 556524242 /nfs/dbraw/zinc/52/42/42/556524242.db2.gz PQMPSKULGJXQNT-MRXNPFEDSA-N 0 0 430.476 4.038 40 0 IIABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)c(Cl)c1 ZINC000032125462 556535249 /nfs/dbraw/zinc/53/52/49/556535249.db2.gz MKWGKENIPQZUBP-UHFFFAOYSA-N 0 0 438.977 4.415 40 0 IIABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cccc(Br)c2)CC1 ZINC000032127616 556536607 /nfs/dbraw/zinc/53/66/07/556536607.db2.gz XMQQJZWIJOFHDW-UHFFFAOYSA-N 0 0 430.346 4.006 40 0 IIABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000015638284 556539597 /nfs/dbraw/zinc/53/95/97/556539597.db2.gz ZMMJTAWADFXNIS-CYBMUJFWSA-N 0 0 437.721 4.264 40 0 IIABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cc(OC)c(O)c(OC)c2)C1C(=O)OCC ZINC000013634984 556540515 /nfs/dbraw/zinc/54/05/15/556540515.db2.gz KBLDOIPYHGNRRU-NRFANRHFSA-N 0 0 437.496 4.391 40 0 IIABRN CCOc1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000013669342 556550126 /nfs/dbraw/zinc/55/01/26/556550126.db2.gz BSROIUBQQHIVAO-DEOSSOPVSA-N 0 0 436.533 4.383 40 0 IIABRN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000013677116 556554841 /nfs/dbraw/zinc/55/48/41/556554841.db2.gz NYIKEZLPHKMZME-INIZCTEOSA-N 0 0 441.380 4.482 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000013680049 556556406 /nfs/dbraw/zinc/55/64/06/556556406.db2.gz IWHKITSCJHZNQI-UHFFFAOYSA-N 0 0 444.534 4.002 40 0 IIABRN COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000015922675 556564554 /nfs/dbraw/zinc/56/45/54/556564554.db2.gz QAXOYKPLJMEUJO-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000015922647 556564576 /nfs/dbraw/zinc/56/45/76/556564576.db2.gz CUANYWRNXDAFIS-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000016250014 556594615 /nfs/dbraw/zinc/59/46/15/556594615.db2.gz NVZLLKHPUOMHED-UHFFFAOYSA-N 0 0 436.961 4.277 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1C ZINC000016283080 556596798 /nfs/dbraw/zinc/59/67/98/556596798.db2.gz AATCVAUXMMEKKO-UHFFFAOYSA-N 0 0 440.521 4.055 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000016291371 556598001 /nfs/dbraw/zinc/59/80/01/556598001.db2.gz PAPIOTURJGLLGY-UHFFFAOYSA-N 0 0 440.521 4.055 40 0 IIABRN Cc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000016292401 556598070 /nfs/dbraw/zinc/59/80/70/556598070.db2.gz MWXLCFDLGCNBOY-DNQXCXABSA-N 0 0 436.600 4.408 40 0 IIABRN Cc1ccc(CNC(=O)NC[C@H]2CCC[C@H](CNC(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000016292407 556598090 /nfs/dbraw/zinc/59/80/90/556598090.db2.gz MWXLCFDLGCNBOY-ZEQRLZLVSA-N 0 0 436.600 4.408 40 0 IIABRN Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](CNC(=O)NCc3cccc(C)c3)C2)c1 ZINC000016349195 556602005 /nfs/dbraw/zinc/60/20/05/556602005.db2.gz LOJPYAXAZGDZMH-PSWAGMNNSA-N 0 0 436.600 4.408 40 0 IIABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000016362293 556602875 /nfs/dbraw/zinc/60/28/75/556602875.db2.gz FNEAWBGLKDPACS-UHFFFAOYSA-N 0 0 430.570 4.357 40 0 IIABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(OC)c3)C2=O)cc1 ZINC000100939427 556612451 /nfs/dbraw/zinc/61/24/51/556612451.db2.gz MSOIFKSYWYSVLK-SMIHKQSGSA-N 0 0 444.487 4.145 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000038753048 556616243 /nfs/dbraw/zinc/61/62/43/556616243.db2.gz UNXVEDOXTNFQTO-CVDCTZTESA-N 0 0 446.613 4.370 40 0 IIABRN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000038755396 556617503 /nfs/dbraw/zinc/61/75/03/556617503.db2.gz AKKUVCHAZONRJS-HSZRJFAPSA-N 0 0 446.588 4.271 40 0 IIABRN Cc1ccc([C@@H](NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038756838 556618668 /nfs/dbraw/zinc/61/86/68/556618668.db2.gz GMGLKXSBEAIUII-QHCPKHFHSA-N 0 0 442.968 4.320 40 0 IIABRN CN(Cc1ccc(Cl)cc1)C(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000038771942 556619271 /nfs/dbraw/zinc/61/92/71/556619271.db2.gz XWJQIQYEOYGDET-UHFFFAOYSA-N 0 0 444.915 4.313 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000038772945 556619486 /nfs/dbraw/zinc/61/94/86/556619486.db2.gz OHDFFBKJBLUFOK-CHWSQXEVSA-N 0 0 445.368 4.034 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038849540 556624045 /nfs/dbraw/zinc/62/40/45/556624045.db2.gz OWELLGXNTPWAIJ-LJQANCHMSA-N 0 0 436.961 4.112 40 0 IIABRN CCc1cccc(C)c1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038857002 556625820 /nfs/dbraw/zinc/62/58/20/556625820.db2.gz XKFXHTBXGRGRJO-FQEVSTJZSA-N 0 0 430.570 4.021 40 0 IIABRN COC(=O)/C(=C/CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1 ZINC000016697242 556628781 /nfs/dbraw/zinc/62/87/81/556628781.db2.gz SCHCJHPSZPXPGN-ODLFYWEKSA-N 0 0 432.517 4.007 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000039986500 556632996 /nfs/dbraw/zinc/63/29/96/556632996.db2.gz OKCMHVSIKTXMCI-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000017095384 556658812 /nfs/dbraw/zinc/65/88/12/556658812.db2.gz VYDBUGFFLYKBCP-BUHFOSPRSA-N 0 0 427.485 4.014 40 0 IIABRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](O)CCc2ccccc2)[C@@H](O)C[C@@H]1O ZINC000043772329 556665278 /nfs/dbraw/zinc/66/52/78/556665278.db2.gz GGXICVAJURFBLW-NNMUMPSRSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccccc1OC(C)C ZINC000017100358 556665397 /nfs/dbraw/zinc/66/53/97/556665397.db2.gz SNZGOERUJUKPMO-JOCHJYFZSA-N 0 0 436.533 4.434 40 0 IIABRN Cc1cc(C)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c(C)c1 ZINC000044786882 556667541 /nfs/dbraw/zinc/66/75/41/556667541.db2.gz HGVHTKJFGUSENN-FQEVSTJZSA-N 0 0 430.570 4.075 40 0 IIABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000044843263 556668863 /nfs/dbraw/zinc/66/88/63/556668863.db2.gz QBXWOQHRYLAMJC-QGZVFWFLSA-N 0 0 440.521 4.210 40 0 IIABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 ZINC000044849284 556670189 /nfs/dbraw/zinc/67/01/89/556670189.db2.gz CDEFVXMRLZVJOL-QFIPXVFZSA-N 0 0 449.016 4.458 40 0 IIABRN COc1ccc([C@@H]2S/C(=C/c3ccc(O)cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219245 556673663 /nfs/dbraw/zinc/67/36/63/556673663.db2.gz USNKAGHCIDPJNQ-DIXABZHVSA-N 0 0 446.528 4.290 40 0 IIABRN Cc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000044900152 556677029 /nfs/dbraw/zinc/67/70/29/556677029.db2.gz MRSRJQOBEJPULN-CQSZACIVSA-N 0 0 429.369 4.115 40 0 IIABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000044900405 556677170 /nfs/dbraw/zinc/67/71/70/556677170.db2.gz ORLGESZYAHBTHF-JOCHJYFZSA-N 0 0 446.569 4.056 40 0 IIABRN COC(=O)c1ccc(OCc2cccc(Br)c2)c(I)c1 ZINC000226326152 556684184 /nfs/dbraw/zinc/68/41/84/556684184.db2.gz ZQZTXHCMTFNUPU-UHFFFAOYSA-N 0 0 447.066 4.419 40 0 IIABRN CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000018131139 556684447 /nfs/dbraw/zinc/68/44/47/556684447.db2.gz IYDBOEQZUXFYDK-QFIPXVFZSA-N 0 0 432.561 4.130 40 0 IIABRN CC(C)(C)c1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)[nH]n1 ZINC000019083713 556698197 /nfs/dbraw/zinc/69/81/97/556698197.db2.gz NFRMBMALHALGLS-UHFFFAOYSA-N 0 0 432.503 4.202 40 0 IIABRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(C)cc1 ZINC000137911211 556698958 /nfs/dbraw/zinc/69/89/58/556698958.db2.gz SSSDQYUVFCOGNA-WIYYLYMNSA-N 0 0 434.989 4.317 40 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ZINC000257204296 556701547 /nfs/dbraw/zinc/70/15/47/556701547.db2.gz ATWYDXMCHBDBSR-UHFFFAOYSA-N 0 0 434.580 4.048 40 0 IIABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)CCc3ccno3)cc2)on1 ZINC000019123861 556702512 /nfs/dbraw/zinc/70/25/12/556702512.db2.gz IFAQBEKLIHNSGR-UHFFFAOYSA-N 0 0 431.496 4.467 40 0 IIABRN CCCN1CCN(C(=O)c2ccccn2)[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257211847 556702724 /nfs/dbraw/zinc/70/27/24/556702724.db2.gz CASOFJYQGYRADW-DEOSSOPVSA-N 0 0 443.547 4.063 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257333879 556705877 /nfs/dbraw/zinc/70/58/77/556705877.db2.gz YDMRRHFMSIGMPB-HXUWFJFHSA-N 0 0 440.503 4.148 40 0 IIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)c2ccncc2)CC1 ZINC000257222064 556707868 /nfs/dbraw/zinc/70/78/68/556707868.db2.gz DRSPBMOIYIDUAL-UHFFFAOYSA-N 0 0 445.538 4.489 40 0 IIABRN O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 ZINC000257231842 556709408 /nfs/dbraw/zinc/70/94/08/556709408.db2.gz 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OFSBVSPXUAPHOE-HSZRJFAPSA-N 0 0 444.579 4.104 40 0 IIABRN CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)C[C@H]4CCCO4)CC3)cc(C(F)(F)F)c12 ZINC000019744670 556891277 /nfs/dbraw/zinc/89/12/77/556891277.db2.gz IXHZQDNSQFYKCR-CQSZACIVSA-N 0 0 439.482 4.072 40 0 IIABRN COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c1 ZINC000408919230 556891644 /nfs/dbraw/zinc/89/16/44/556891644.db2.gz VAUWQEGCUFFSCE-OLJONYEBSA-N 0 0 443.886 4.220 40 0 IIABRN COc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1Cl ZINC000408925296 556891914 /nfs/dbraw/zinc/89/19/14/556891914.db2.gz OTHVQRSLZLKGPG-UHFFFAOYSA-N 0 0 437.732 4.060 40 0 IIABRN O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408927577 556893183 /nfs/dbraw/zinc/89/31/83/556893183.db2.gz XNZDOQYLJXSRCG-UHFFFAOYSA-N 0 0 430.526 4.498 40 0 IIABRN Cc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N(C)c3ccccc3)c2)cc1C ZINC000019751180 556895224 /nfs/dbraw/zinc/89/52/24/556895224.db2.gz HCVIVFDEDOCLCE-XMMPIXPASA-N 0 0 443.547 4.105 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000072111608 556897565 /nfs/dbraw/zinc/89/75/65/556897565.db2.gz SQRWFXFMSPSBEE-UHFFFAOYSA-N 0 0 441.597 4.412 40 0 IIABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)C(C)(C)C)CC3)s2)n1 ZINC000072230144 556901309 /nfs/dbraw/zinc/90/13/09/556901309.db2.gz VIGPQFJCWLWWRG-UHFFFAOYSA-N 0 0 431.993 4.447 40 0 IIABRN Cc1nc(CC2CCN(C(=O)CCc3ccc4c(c3)C[C@@H](C)O4)CC2)cc(N2CCCC2)n1 ZINC000019758777 556902444 /nfs/dbraw/zinc/90/24/44/556902444.db2.gz OMJYEEXNCKVEPJ-LJQANCHMSA-N 0 0 448.611 4.123 40 0 IIABRN CCOc1ccc(CC(=O)N2CC[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)cc1 ZINC000019760984 556904313 /nfs/dbraw/zinc/90/43/13/556904313.db2.gz SXOWQIAIIHNQQJ-HXUWFJFHSA-N 0 0 445.563 4.330 40 0 IIABRN Cc1ncsc1C(=O)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019761191 556904522 /nfs/dbraw/zinc/90/45/22/556904522.db2.gz OHXLLWDXAVQEAR-CQSZACIVSA-N 0 0 449.561 4.338 40 0 IIABRN CC(C)Oc1ccccc1CN1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019762883 556907704 /nfs/dbraw/zinc/90/77/04/556907704.db2.gz YZUVUTRHMQFFRD-RUZDIDTESA-N 0 0 433.552 4.297 40 0 IIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Br)cc1 ZINC000408985393 556908969 /nfs/dbraw/zinc/90/89/69/556908969.db2.gz ASJOWDLCNPRBQX-GOSISDBHSA-N 0 0 430.302 4.226 40 0 IIABRN Cc1cc(-c2cc(=O)n(CC(=O)Nc3ccc(F)c(F)c3)nc2-c2ccc(C)s2)on1 ZINC000072337638 556910667 /nfs/dbraw/zinc/91/06/67/556910667.db2.gz FWYKIWPPPDWQCP-UHFFFAOYSA-N 0 0 442.447 4.161 40 0 IIABRN CCOC(=O)CSC1=N[C@H](c2cccc(Cl)c2Cl)C(C(=O)OCC)=C(C)N1 ZINC000408991273 556911676 /nfs/dbraw/zinc/91/16/76/556911676.db2.gz QARRSUPAFVRBPG-MRXNPFEDSA-N 0 0 431.341 4.127 40 0 IIABRN Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000019766738 556911908 /nfs/dbraw/zinc/91/19/08/556911908.db2.gz LYHNLTMCSCADHJ-JOCHJYFZSA-N 0 0 438.547 4.283 40 0 IIABRN Cc1cc2nc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)cc(C(F)(F)F)n2n1 ZINC000072340925 556913074 /nfs/dbraw/zinc/91/30/74/556913074.db2.gz YPLCICDBQYDYMK-HNNXBMFYSA-N 0 0 441.457 4.487 40 0 IIABRN O=C(N1CCC(n2c(=O)oc3cccnc32)CC1)C1(c2c(F)cccc2Cl)CCCC1 ZINC000072343128 556914933 /nfs/dbraw/zinc/91/49/33/556914933.db2.gz ILPMWLXLYOPCOO-UHFFFAOYSA-N 0 0 443.906 4.458 40 0 IIABRN O=C(COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(F)cc1 ZINC000409003810 556917240 /nfs/dbraw/zinc/91/72/40/556917240.db2.gz VBSCCEZUNPVYJC-QHCPKHFHSA-N 0 0 447.462 4.315 40 0 IIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O ZINC000409010054 556917771 /nfs/dbraw/zinc/91/77/71/556917771.db2.gz DDACMDWIMXYKOR-ONDHQXCVSA-N 0 0 429.469 4.393 40 0 IIABRN Cc1cc2nc([C@@H]3CCCCN3C(=O)[C@@H](C)n3ncc4ccccc4c3=O)[nH]c2cc1C ZINC000072346799 556918028 /nfs/dbraw/zinc/91/80/28/556918028.db2.gz HWAXCMBRLXSGOD-VGSWGCGISA-N 0 0 429.524 4.204 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccccc1OC ZINC000019818202 556920746 /nfs/dbraw/zinc/92/07/46/556920746.db2.gz WBAVQVGFTBDMPA-FGZHOGPDSA-N 0 0 435.524 4.206 40 0 IIABRN CC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000409023140 556923216 /nfs/dbraw/zinc/92/32/16/556923216.db2.gz OGJMBQKYTGZBLX-UHFFFAOYSA-N 0 0 436.533 4.340 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(CC(=O)NC2CCCCC2)C1 ZINC000072352429 556924212 /nfs/dbraw/zinc/92/42/12/556924212.db2.gz VHSQAMDVACFMRL-KRWDZBQOSA-N 0 0 427.614 4.278 40 0 IIABRN Cc1cccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1C ZINC000409028868 556924918 /nfs/dbraw/zinc/92/49/18/556924918.db2.gz RVXQKHISMUXUGG-UHFFFAOYSA-N 0 0 434.867 4.380 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1 ZINC000409026106 556925873 /nfs/dbraw/zinc/92/58/73/556925873.db2.gz GIVXPQIYFBXMOB-UHFFFAOYSA-N 0 0 430.570 4.038 40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000072353641 556927410 /nfs/dbraw/zinc/92/74/10/556927410.db2.gz MEWTWMLUYYCRCY-LJQANCHMSA-N 0 0 425.536 4.464 40 0 IIABRN COc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OC ZINC000409034674 556928136 /nfs/dbraw/zinc/92/81/36/556928136.db2.gz NSGUQPDTEDLIDQ-DHDCSXOGSA-N 0 0 433.327 4.071 40 0 IIABRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(OCC)c3)N(C)C2=S)cc1 ZINC000409036446 556928555 /nfs/dbraw/zinc/92/85/55/556928555.db2.gz RJYKKYIYTVHZLZ-RGEXLXHISA-N 0 0 426.538 4.487 40 0 IIABRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)N(C)C1=S ZINC000409037395 556928967 /nfs/dbraw/zinc/92/89/67/556928967.db2.gz CENSZBUQBZLVIO-YVLHZVERSA-N 0 0 434.920 4.486 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072354224 556929595 /nfs/dbraw/zinc/92/95/95/556929595.db2.gz XMJBGYIMSQGDQE-OAQYLSRUSA-N 0 0 425.554 4.154 40 0 IIABRN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000072354841 556930237 /nfs/dbraw/zinc/93/02/37/556930237.db2.gz BJEGPHDQEAXTHS-JOCHJYFZSA-N 0 0 427.508 4.122 40 0 IIABRN COc1ccc(CCC(=O)N2CCC(c3cncc(-n4ccnc4C(C)C)n3)CC2)cc1 ZINC000072355378 556930580 /nfs/dbraw/zinc/93/05/80/556930580.db2.gz QJRIKTMNHDPFHV-UHFFFAOYSA-N 0 0 433.556 4.133 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)CC1 ZINC000072356197 556930785 /nfs/dbraw/zinc/93/07/85/556930785.db2.gz LXRMVKKABSQDIL-HSZRJFAPSA-N 0 0 437.559 4.084 40 0 IIABRN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860133 556932474 /nfs/dbraw/zinc/93/24/74/556932474.db2.gz IKWFYFKHYKGPOW-OAHLLOKOSA-N 0 0 427.353 4.174 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860562 556932777 /nfs/dbraw/zinc/93/27/77/556932777.db2.gz OSCFFHORTNZFJV-GHTZIAJQSA-N 0 0 449.016 4.019 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860727 556933194 /nfs/dbraw/zinc/93/31/94/556933194.db2.gz PUGJTJSKVLXGKZ-OAHLLOKOSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860843 556933445 /nfs/dbraw/zinc/93/34/45/556933445.db2.gz JUELBLBLGQZSEW-INIZCTEOSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867543 556934713 /nfs/dbraw/zinc/93/47/13/556934713.db2.gz HYCCTUIIMIKJJC-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@H]2Cc2c3ccccc3sc2C(N)=O)cc1C ZINC000072370458 556935108 /nfs/dbraw/zinc/93/51/08/556935108.db2.gz WZKHATMCDBKVTG-SFHVURJKSA-N 0 0 436.577 4.484 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868318 556935218 /nfs/dbraw/zinc/93/52/18/556935218.db2.gz MVBGVIOZJQWSRJ-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1cnc(C(=O)N2CCCC[C@H]2Cc2c3ccccc3sc2C(=O)NC(C)C)cn1 ZINC000072370548 556935303 /nfs/dbraw/zinc/93/53/03/556935303.db2.gz LAKDNEZFJRWSTL-KRWDZBQOSA-N 0 0 436.581 4.375 40 0 IIABRN Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)CC3CCCCC3)nc21 ZINC000072371040 556936983 /nfs/dbraw/zinc/93/69/83/556936983.db2.gz XJKALUQZQUVIQD-UHFFFAOYSA-N 0 0 436.600 4.464 40 0 IIABRN COc1cccc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)c1 ZINC000072371227 556937599 /nfs/dbraw/zinc/93/75/99/556937599.db2.gz YHZHKLWDLBCHIX-KRWDZBQOSA-N 0 0 425.916 4.323 40 0 IIABRN O=C(c1ccccn1)N1CC[C@@H](c2cc(CCOc3ccccc3C(F)(F)F)n[nH]2)C1 ZINC000072371285 556937943 /nfs/dbraw/zinc/93/79/43/556937943.db2.gz FABMQNIOLDSYHB-OAHLLOKOSA-N 0 0 430.430 4.075 40 0 IIABRN CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409062421 556940005 /nfs/dbraw/zinc/94/00/05/556940005.db2.gz UPNBTOJUPDNOEU-UHFFFAOYSA-N 0 0 429.369 4.101 40 0 IIABRN O=C(CC1(O)CCCCC1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371706 556940432 /nfs/dbraw/zinc/94/04/32/556940432.db2.gz YRISSNFTZRYNJP-KRWDZBQOSA-N 0 0 431.964 4.086 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372539 556943178 /nfs/dbraw/zinc/94/31/78/556943178.db2.gz KSEBQGUJBIDGMK-HSZRJFAPSA-N 0 0 431.540 4.455 40 0 IIABRN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3C(=O)COc3ccccc3F)c2)n1 ZINC000072372589 556943204 /nfs/dbraw/zinc/94/32/04/556943204.db2.gz KJBSYVYXDRMKBX-OAQYLSRUSA-N 0 0 435.503 4.422 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409075334 556943569 /nfs/dbraw/zinc/94/35/69/556943569.db2.gz YWIZZMAVWYKVSU-UHFFFAOYSA-N 0 0 441.380 4.115 40 0 IIABRN O=C1N/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N1Cc1ccccc1F ZINC000409075665 556943812 /nfs/dbraw/zinc/94/38/12/556943812.db2.gz STTKRKBPEYKFSB-XDHOZWIPSA-N 0 0 440.272 4.472 40 0 IIABRN Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)nc2)n1 ZINC000072374303 556947585 /nfs/dbraw/zinc/94/75/85/556947585.db2.gz DYYORSBDBWBOLK-UHFFFAOYSA-N 0 0 435.503 4.156 40 0 IIABRN CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000019929365 556947666 /nfs/dbraw/zinc/94/76/66/556947666.db2.gz QKQBYAYACXAUSN-UHFFFAOYSA-N 0 0 438.488 4.405 40 0 IIABRN Cc1cccnc1Nc1ccc(C2CCN(C(=O)CCc3nnc(C(C)C)o3)CC2)nc1 ZINC000072374359 556947944 /nfs/dbraw/zinc/94/79/44/556947944.db2.gz HLTHHCPOYBLVPY-UHFFFAOYSA-N 0 0 434.544 4.374 40 0 IIABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(I)c1OC ZINC000409083351 556948150 /nfs/dbraw/zinc/94/81/50/556948150.db2.gz AFQMEILKKAUQEW-DHDCSXOGSA-N 0 0 439.274 4.394 40 0 IIABRN CN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)C1CCCCC1 ZINC000019931387 556948780 /nfs/dbraw/zinc/94/87/80/556948780.db2.gz RCVGDIVFZNGMOG-HNNXBMFYSA-N 0 0 447.428 4.326 40 0 IIABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCN(CC(=O)NCc3ccccn3)C2)n1 ZINC000072374769 556948870 /nfs/dbraw/zinc/94/88/70/556948870.db2.gz ZEHHEAZNMCSFKJ-OAQYLSRUSA-N 0 0 434.971 4.135 40 0 IIABRN COc1cc2c(cc1CCC(=O)N1CCC[C@H]1c1cccc(Nc3cnccn3)n1)CCC2 ZINC000072375498 556951360 /nfs/dbraw/zinc/95/13/60/556951360.db2.gz LJIOLIDHIDXZOZ-QFIPXVFZSA-N 0 0 443.551 4.409 40 0 IIABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000409096332 556953114 /nfs/dbraw/zinc/95/31/14/556953114.db2.gz KTGRUAGDVFPJGJ-WOJGMQOQSA-N 0 0 446.912 4.422 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2F)cs1 ZINC000072376629 556955496 /nfs/dbraw/zinc/95/54/96/556955496.db2.gz CYDYBSGTGNNJNM-LJQANCHMSA-N 0 0 425.533 4.020 40 0 IIABRN O=C(c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1cccnc1)N1CCOCC1 ZINC000072380142 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443.916 4.149 40 0 IIABRN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)sc2c1CCCC2 ZINC000010127867 557207332 /nfs/dbraw/zinc/20/73/32/557207332.db2.gz GERCFJMYVJUDEF-ACCUITESSA-N 0 0 445.537 4.481 40 0 IIABRN Cn1ccc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)n1 ZINC000585268786 557208545 /nfs/dbraw/zinc/20/85/45/557208545.db2.gz LISFZMKKZSUYPM-QGZVFWFLSA-N 0 0 435.475 4.485 40 0 IIABRN COc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000010314221 557215217 /nfs/dbraw/zinc/21/52/17/557215217.db2.gz ZYIHSONTTRNNAT-UHFFFAOYSA-N 0 0 440.521 4.374 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1C ZINC000218786857 557215932 /nfs/dbraw/zinc/21/59/32/557215932.db2.gz MODIIOVAWCFXSI-NRFANRHFSA-N 0 0 442.625 4.155 40 0 IIABRN Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1NS(C)(=O)=O ZINC000010334987 557216806 /nfs/dbraw/zinc/21/68/06/557216806.db2.gz DQZVZSHBMVSOBI-UHFFFAOYSA-N 0 0 447.409 4.337 40 0 IIABRN Cc1ccc(CNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000010338233 557217292 /nfs/dbraw/zinc/21/72/92/557217292.db2.gz JIWCAIMFTWBNPI-UHFFFAOYSA-N 0 0 426.513 4.030 40 0 IIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccc(Br)cc1 ZINC000218820361 557217662 /nfs/dbraw/zinc/21/76/62/557217662.db2.gz BKAQCNFGLZHGBW-UHFFFAOYSA-N 0 0 436.693 4.190 40 0 IIABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000010449038 557219656 /nfs/dbraw/zinc/21/96/56/557219656.db2.gz GGRUCWFUXWQPOQ-UHFFFAOYSA-N 0 0 426.925 4.125 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000022410041 557223474 /nfs/dbraw/zinc/22/34/74/557223474.db2.gz RCOLBEQKMXDYLI-ZDUSSCGKSA-N 0 0 443.352 4.041 40 0 IIABRN CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000219116276 557226650 /nfs/dbraw/zinc/22/66/50/557226650.db2.gz XEXMNVSBUYYSQQ-UXHICEINSA-N 0 0 448.560 4.097 40 0 IIABRN CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000219116492 557226687 /nfs/dbraw/zinc/22/66/87/557226687.db2.gz XEXMNVSBUYYSQQ-VQTJNVASSA-N 0 0 448.560 4.097 40 0 IIABRN Cc1ccc(CCCNC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000219161018 557228929 /nfs/dbraw/zinc/22/89/29/557228929.db2.gz DFIGAAYCWTUJSY-UHFFFAOYSA-N 0 0 434.561 4.228 40 0 IIABRN Cc1nc(/C=C/C(=O)N2CCC[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cs1 ZINC000585291473 557228997 /nfs/dbraw/zinc/22/89/97/557228997.db2.gz QGOFFLJBEXHUBF-KOEDOTQGSA-N 0 0 434.569 4.416 40 0 IIABRN Cc1nc(/C=C/C(=O)N2CCC[C@H](Cc3cc(Nc4cccc(C)n4)ncn3)C2)cs1 ZINC000585291460 557229063 /nfs/dbraw/zinc/22/90/63/557229063.db2.gz PVYSWQWBHHFZHP-GFOMBABLSA-N 0 0 434.569 4.183 40 0 IIABRN COc1ccc2[nH]c(=O)c(CNC(=O)c3oc(COc4ccccc4OC)cc3C)cc2c1 ZINC000585293020 557231262 /nfs/dbraw/zinc/23/12/62/557231262.db2.gz BVWQREUDRWJJMO-UHFFFAOYSA-N 0 0 448.475 4.368 40 0 IIABRN CCOc1ccc(CCC(=O)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1OCC ZINC000219280211 557235067 /nfs/dbraw/zinc/23/50/67/557235067.db2.gz OEYRCBUDECNYOZ-HXUWFJFHSA-N 0 0 433.570 4.088 40 0 IIABRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)c(OC)c1 ZINC000219304596 557237030 /nfs/dbraw/zinc/23/70/30/557237030.db2.gz YJUKEHSZXPDONY-QGZVFWFLSA-N 0 0 439.512 4.105 40 0 IIABRN Cc1cccc(O[C@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1C ZINC000219311582 557237753 /nfs/dbraw/zinc/23/77/53/557237753.db2.gz JCKRJULXVHZARO-CQSZACIVSA-N 0 0 430.302 4.200 40 0 IIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000219329474 557238071 /nfs/dbraw/zinc/23/80/71/557238071.db2.gz RCWIEEMOFMFJQI-KRWDZBQOSA-N 0 0 448.292 4.454 40 0 IIABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000219382384 557239051 /nfs/dbraw/zinc/23/90/51/557239051.db2.gz SZWONLCXAGCSCI-LJQANCHMSA-N 0 0 439.512 4.187 40 0 IIABRN CCc1ccc(OCC(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000057317303 557241056 /nfs/dbraw/zinc/24/10/56/557241056.db2.gz FIQLUCAAOUKGAR-UHFFFAOYSA-N 0 0 430.829 4.186 40 0 IIABRN CC(C)Oc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000057327871 557241317 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425.606 4.451 40 0 IIABRN Cc1cc(C)cc(O[C@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000219553097 557256378 /nfs/dbraw/zinc/25/63/78/557256378.db2.gz MOMTZMYTRNQEOD-CQSZACIVSA-N 0 0 430.302 4.200 40 0 IIABRN COc1ccc(CN2CCc3nc(-c4ccncc4)nc(NCCCOC(C)C)c3C2)cc1 ZINC000057743687 557258283 /nfs/dbraw/zinc/25/82/83/557258283.db2.gz OGGBGOCZNWHJEV-UHFFFAOYSA-N 0 0 447.583 4.333 40 0 IIABRN CC(=O)c1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2cccs2)cc1 ZINC000012871097 557260014 /nfs/dbraw/zinc/26/00/14/557260014.db2.gz NBQPBCUGWDYWKR-SFHVURJKSA-N 0 0 442.566 4.105 40 0 IIABRN Cc1ccc(N(CCCC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 ZINC000219627384 557260382 /nfs/dbraw/zinc/26/03/82/557260382.db2.gz VEFFZXSHKQYJOX-UHFFFAOYSA-N 0 0 446.613 4.077 40 0 IIABRN CN(C)C(=O)c1cc([C@H]2CC[C@H](CNC(=O)COc3ccccc3)CC2)nc2ccccc21 ZINC000100657999 557268121 /nfs/dbraw/zinc/26/81/21/557268121.db2.gz UCTZSYZOLQWFCO-BGYRXZFFSA-N 0 0 445.563 4.406 40 0 IIABRN Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)sc1C 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COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O ZINC000220345802 557292339 /nfs/dbraw/zinc/29/23/39/557292339.db2.gz OAJUCABGZMDHTK-QGZVFWFLSA-N 0 0 446.569 4.118 40 0 IIABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000220372561 557293113 /nfs/dbraw/zinc/29/31/13/557293113.db2.gz NMTHXFOEUMPUCJ-MGPUTAFESA-N 0 0 438.977 4.079 40 0 IIABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O ZINC000101660744 557294807 /nfs/dbraw/zinc/29/48/07/557294807.db2.gz QGSYQWMAQIQJSC-PRHHBONVSA-N 0 0 438.948 4.063 40 0 IIABRN CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000220438230 557295229 /nfs/dbraw/zinc/29/52/29/557295229.db2.gz YBEGKAREOJZXDQ-LBPRGKRZSA-N 0 0 431.341 4.185 40 0 IIABRN C[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000220440396 557295522 /nfs/dbraw/zinc/29/55/22/557295522.db2.gz AQJUFKFHUISQOL-NEPJUHHUSA-N 0 0 433.332 4.164 40 0 IIABRN 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CKMQPXJWSDTPOM-IBGZPJMESA-N 0 0 432.586 4.126 40 0 IIABRN Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccccc1Cl)S(C)(=O)=O ZINC000113966272 557384089 /nfs/dbraw/zinc/38/40/89/557384089.db2.gz ZRJDOGNJLJFBCP-UHFFFAOYSA-N 0 0 429.369 4.164 40 0 IIABRN Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1C ZINC000222767979 557384511 /nfs/dbraw/zinc/38/45/11/557384511.db2.gz ORVIYDRFUVSNCP-UHFFFAOYSA-N 0 0 444.597 4.265 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cc1 ZINC000072349350 557385062 /nfs/dbraw/zinc/38/50/62/557385062.db2.gz PMEVBADPQMZXBC-JOCHJYFZSA-N 0 0 443.547 4.195 40 0 IIABRN O=C(NCc1ccc2ccccc2c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000222779154 557386251 /nfs/dbraw/zinc/38/62/51/557386251.db2.gz BSKLGGLDRKGXPI-UHFFFAOYSA-N 0 0 428.941 4.208 40 0 IIABRN COc1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000222784838 557386747 /nfs/dbraw/zinc/38/67/47/557386747.db2.gz VAGULRFFGPKTKS-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN Cc1ccc(CN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013770728 557388298 /nfs/dbraw/zinc/38/82/98/557388298.db2.gz VIXQFCPBENTXFW-JFIYKMOQSA-N 0 0 430.397 4.102 40 0 IIABRN CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222809887 557389212 /nfs/dbraw/zinc/38/92/12/557389212.db2.gz WGTXKODDOBCKRL-OAQYLSRUSA-N 0 0 448.947 4.493 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000222832686 557391399 /nfs/dbraw/zinc/39/13/99/557391399.db2.gz CDOZFEACWKQUPR-QHCPKHFHSA-N 0 0 426.557 4.023 40 0 IIABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)C(C)C)cc1OC ZINC000222835656 557391922 /nfs/dbraw/zinc/39/19/22/557391922.db2.gz WIEOUAUWVVHRAR-KRWDZBQOSA-N 0 0 446.975 4.089 40 0 IIABRN CCOc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2C)n1C ZINC000013879480 557392547 /nfs/dbraw/zinc/39/25/47/557392547.db2.gz JHHHTWQUXDQWSA-UHFFFAOYSA-N 0 0 426.542 4.140 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1cccc(Cl)c1Cl ZINC000222841044 557392569 /nfs/dbraw/zinc/39/25/69/557392569.db2.gz RCCTXWXWXKSAIR-UHFFFAOYSA-N 0 0 437.348 4.229 40 0 IIABRN C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222880151 557397201 /nfs/dbraw/zinc/39/72/01/557397201.db2.gz GRVSBDTXCYPKOT-INIZCTEOSA-N 0 0 444.890 4.185 40 0 IIABRN COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1O ZINC000013995245 557401395 /nfs/dbraw/zinc/40/13/95/557401395.db2.gz NENJKUDNPBSWCF-RBZFPXEDSA-N 0 0 425.510 4.067 40 0 IIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000013995466 557402008 /nfs/dbraw/zinc/40/20/08/557402008.db2.gz WQLATCRVEDNXLK-SPLOXXLWSA-N 0 0 439.537 4.370 40 0 IIABRN CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913444 557405007 /nfs/dbraw/zinc/40/50/07/557405007.db2.gz LMRPLLZUGUXFDJ-GVBILBGMSA-N 0 0 448.600 4.022 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccccc1F)S(C)(=O)=O ZINC000222986808 557412299 /nfs/dbraw/zinc/41/22/99/557412299.db2.gz PATXWHQIBATJBJ-HRAATJIYSA-N 0 0 432.561 4.127 40 0 IIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000223015372 557415847 /nfs/dbraw/zinc/41/58/47/557415847.db2.gz MOJYRXBADSPFOG-GOSISDBHSA-N 0 0 442.581 4.146 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223019176 557416144 /nfs/dbraw/zinc/41/61/44/557416144.db2.gz MPJZVWHZDVTNFL-KRWDZBQOSA-N 0 0 431.374 4.162 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000223027236 557417173 /nfs/dbraw/zinc/41/71/73/557417173.db2.gz AMZTXUGKIONQHX-IRXDYDNUSA-N 0 0 432.948 4.059 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000223027114 557417250 /nfs/dbraw/zinc/41/72/50/557417250.db2.gz AMZTXUGKIONQHX-DLBZAZTESA-N 0 0 432.948 4.059 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223034755 557418730 /nfs/dbraw/zinc/41/87/30/557418730.db2.gz NCLWGRXDLJSKLZ-INIZCTEOSA-N 0 0 449.414 4.403 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)cc1 ZINC000014022822 557419597 /nfs/dbraw/zinc/41/95/97/557419597.db2.gz HIVBULZLHCHKAF-CQSZACIVSA-N 0 0 427.353 4.341 40 0 IIABRN CCOc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)cc1 ZINC000014126304 557421050 /nfs/dbraw/zinc/42/10/50/557421050.db2.gz DWCCNQSLOHKSGH-UHFFFAOYSA-N 0 0 426.542 4.140 40 0 IIABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1 ZINC000223050874 557421585 /nfs/dbraw/zinc/42/15/85/557421585.db2.gz BSNKECZCYDGKNI-RUZDIDTESA-N 0 0 430.548 4.362 40 0 IIABRN CC(C)CCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000014135398 557422680 /nfs/dbraw/zinc/42/26/80/557422680.db2.gz GUCXMTBYLXQNRE-UHFFFAOYSA-N 0 0 443.396 4.347 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1NC(=O)C(C)C ZINC000223063593 557424258 /nfs/dbraw/zinc/42/42/58/557424258.db2.gz FVFMNOUATJMRKP-UHFFFAOYSA-N 0 0 436.599 4.269 40 0 IIABRN O=C(Nc1ccc2ccccc2c1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000014164627 557425319 /nfs/dbraw/zinc/42/53/19/557425319.db2.gz CEMPXVFVAYNHKO-LJQANCHMSA-N 0 0 429.505 4.246 40 0 IIABRN CN(c1ccc2sc(C(=O)Nc3ccccc3Br)cc2c1)S(C)(=O)=O ZINC000223071900 557426049 /nfs/dbraw/zinc/42/60/49/557426049.db2.gz KSEGHQKDKCZGEW-UHFFFAOYSA-N 0 0 439.356 4.312 40 0 IIABRN COc1ccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223084276 557428698 /nfs/dbraw/zinc/42/86/98/557428698.db2.gz FDHOLADEAIPJGI-HXUWFJFHSA-N 0 0 440.584 4.331 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223086469 557429244 /nfs/dbraw/zinc/42/92/44/557429244.db2.gz XHLYEQFNOPEXSC-DHIUTWEWSA-N 0 0 428.598 4.378 40 0 IIABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc2c(c1)CCCC2 ZINC000223089762 557429609 /nfs/dbraw/zinc/42/96/09/557429609.db2.gz CWVDQINTQQVCKY-OAQYLSRUSA-N 0 0 442.581 4.130 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223089165 557429628 /nfs/dbraw/zinc/42/96/28/557429628.db2.gz CXMNENBFGDAYLR-FQEVSTJZSA-N 0 0 438.568 4.032 40 0 IIABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 ZINC000014271167 557430532 /nfs/dbraw/zinc/43/05/32/557430532.db2.gz ZSQLSYUFVNZQKC-UHFFFAOYSA-N 0 0 441.534 4.144 40 0 IIABRN COc1ccc([C@H](C)NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 ZINC000223109161 557432756 /nfs/dbraw/zinc/43/27/56/557432756.db2.gz LTPRMUGVPPONJQ-OLZOCXBDSA-N 0 0 441.325 4.381 40 0 IIABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000223111914 557433253 /nfs/dbraw/zinc/43/32/53/557433253.db2.gz DGJPZPUNIQLYFQ-HSZRJFAPSA-N 0 0 426.582 4.231 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000223121962 557434638 /nfs/dbraw/zinc/43/46/38/557434638.db2.gz WUOOXLLSOJGCFC-VWLOTQADSA-N 0 0 430.548 4.014 40 0 IIABRN COc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000223125160 557435214 /nfs/dbraw/zinc/43/52/14/557435214.db2.gz KLJGVKCMUZKYMA-IBGZPJMESA-N 0 0 440.584 4.011 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1C ZINC000223125325 557435309 /nfs/dbraw/zinc/43/53/09/557435309.db2.gz CHYJZIOPBXQGGG-UYAOXDASSA-N 0 0 428.548 4.462 40 0 IIABRN COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1OC ZINC000223125640 557435397 /nfs/dbraw/zinc/43/53/97/557435397.db2.gz MASYCHYIXAPGSC-OAHLLOKOSA-N 0 0 430.932 4.087 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223129402 557435862 /nfs/dbraw/zinc/43/58/62/557435862.db2.gz WABZPCZTUSEOLF-ZWKOTPCHSA-N 0 0 444.547 4.108 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223129340 557435953 /nfs/dbraw/zinc/43/59/53/557435953.db2.gz WABZPCZTUSEOLF-QZTJIDSGSA-N 0 0 444.547 4.108 40 0 IIABRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc2c(c1)CCCC2 ZINC000223130621 557436301 /nfs/dbraw/zinc/43/63/01/557436301.db2.gz SPWWKMSEOXBTTH-QHCPKHFHSA-N 0 0 426.582 4.294 40 0 IIABRN Cc1c(C([C@@H]2C(=O)CC(C)(C)C[C@@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@@H]2O)c2ccccc2n1C ZINC000408820229 557439766 /nfs/dbraw/zinc/43/97/66/557439766.db2.gz URWHRGDLLYFZPX-BTDFZRAWSA-N 0 0 439.596 4.303 40 0 IIABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223191147 557443557 /nfs/dbraw/zinc/44/35/57/557443557.db2.gz BZMRNIODIMENGJ-QFIPXVFZSA-N 0 0 444.597 4.052 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000223193947 557444475 /nfs/dbraw/zinc/44/44/75/557444475.db2.gz MQHVIGXFLYKCAO-SFHVURJKSA-N 0 0 426.582 4.149 40 0 IIABRN CC(C)CCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000014412346 557444894 /nfs/dbraw/zinc/44/48/94/557444894.db2.gz KEMQNSUYMSOOTL-UHFFFAOYSA-N 0 0 429.369 4.351 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1F ZINC000223201272 557445419 /nfs/dbraw/zinc/44/54/19/557445419.db2.gz QRUJRDAVIRBUDE-JKSUJKDBSA-N 0 0 449.364 4.463 40 0 IIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223203756 557445697 /nfs/dbraw/zinc/44/56/97/557445697.db2.gz NYGMBWYDTFHBNY-XMMPIXPASA-N 0 0 433.527 4.133 40 0 IIABRN COc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)CC(C)(C)O2 ZINC000223204450 557445740 /nfs/dbraw/zinc/44/57/40/557445740.db2.gz MLDLRPCYRAJOES-PHCAOYFPSA-N 0 0 446.503 4.478 40 0 IIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c2ccccc2O1 ZINC000223203354 557445745 /nfs/dbraw/zinc/44/57/45/557445745.db2.gz BKIKXHQZAXPPLQ-FQEVSTJZSA-N 0 0 442.581 4.483 40 0 IIABRN O=C(NCc1ccc(-n2ccnc2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223227880 557448761 /nfs/dbraw/zinc/44/87/61/557448761.db2.gz YSQZNCRHTLNZBP-JCMHNJIXSA-N 0 0 428.517 4.021 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014665240 557449016 /nfs/dbraw/zinc/44/90/16/557449016.db2.gz TZNPEBGALNNRHD-KRWDZBQOSA-N 0 0 432.586 4.421 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014665238 557449059 /nfs/dbraw/zinc/44/90/59/557449059.db2.gz TZNPEBGALNNRHD-QGZVFWFLSA-N 0 0 432.586 4.421 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223255383 557451554 /nfs/dbraw/zinc/45/15/54/557451554.db2.gz MNZCZSCYTXGEBC-JKSUJKDBSA-N 0 0 449.364 4.463 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 ZINC000223273700 557454598 /nfs/dbraw/zinc/45/45/98/557454598.db2.gz LWFGFEGLXNUZAH-RUZDIDTESA-N 0 0 445.563 4.003 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223279316 557455021 /nfs/dbraw/zinc/45/50/21/557455021.db2.gz XXGWRFGFIKUDLD-VWLOTQADSA-N 0 0 430.548 4.014 40 0 IIABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223317448 557458499 /nfs/dbraw/zinc/45/84/99/557458499.db2.gz LCPYRXQNNPBABF-ZTCOLXNVSA-N 0 0 447.608 4.090 40 0 IIABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223319394 557458864 /nfs/dbraw/zinc/45/88/64/557458864.db2.gz FRIHMOIBRBZKAN-TUACAJSNSA-N 0 0 448.592 4.423 40 0 IIABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223317478 557458871 /nfs/dbraw/zinc/45/88/71/557458871.db2.gz LCPYRXQNNPBABF-NKKJXINNSA-N 0 0 447.608 4.090 40 0 IIABRN COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223319067 557458875 /nfs/dbraw/zinc/45/88/75/557458875.db2.gz FVEAGCHYJLRAFK-AJSBUHFISA-N 0 0 434.565 4.032 40 0 IIABRN COc1ccc(N(C(=O)c2cc[nH]n2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000015913440 557466395 /nfs/dbraw/zinc/46/63/95/557466395.db2.gz PEUSAURGMFSAGZ-QFIPXVFZSA-N 0 0 436.487 4.004 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1Cc1ccccc1 ZINC000223398397 557466631 /nfs/dbraw/zinc/46/66/31/557466631.db2.gz WAVHEBIWWLOYJE-ZEQRLZLVSA-N 0 0 425.561 4.499 40 0 IIABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000015935383 557466974 /nfs/dbraw/zinc/46/69/74/557466974.db2.gz OUXQYUMNXFWYRR-QFIPXVFZSA-N 0 0 446.507 4.382 40 0 IIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 ZINC000223409426 557468321 /nfs/dbraw/zinc/46/83/21/557468321.db2.gz KULULOVUJVUTQK-ZEQRLZLVSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 ZINC000223409605 557468336 /nfs/dbraw/zinc/46/83/36/557468336.db2.gz KULULOVUJVUTQK-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 ZINC000223409847 557468438 /nfs/dbraw/zinc/46/84/38/557468438.db2.gz CPPQDXXBMSMHKV-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000016027751 557468978 /nfs/dbraw/zinc/46/89/78/557468978.db2.gz UTQDWMBFEBDXQL-UHFFFAOYSA-N 0 0 433.331 4.078 40 0 IIABRN CCSc1nnc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)s1 ZINC000223416637 557469447 /nfs/dbraw/zinc/46/94/47/557469447.db2.gz IVPGWXHRNIAQGC-UHFFFAOYSA-N 0 0 448.595 4.320 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCc2cccnc2)cc1 ZINC000223422500 557470548 /nfs/dbraw/zinc/47/05/48/557470548.db2.gz OMDDQPVZTHWOJV-UHFFFAOYSA-N 0 0 439.537 4.368 40 0 IIABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)NCc1ccccc1 ZINC000016194640 557470770 /nfs/dbraw/zinc/47/07/70/557470770.db2.gz BBXJOQBGWZSJOE-UHFFFAOYSA-N 0 0 429.339 4.415 40 0 IIABRN NC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000016384837 557472872 /nfs/dbraw/zinc/47/28/72/557472872.db2.gz MMPGVTYFKXLTBX-FNORWQNLSA-N 0 0 440.377 4.169 40 0 IIABRN NC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2 ZINC000016429504 557473319 /nfs/dbraw/zinc/47/33/19/557473319.db2.gz VNITYYLJOKZKKG-UHFFFAOYSA-N 0 0 445.953 4.376 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1F ZINC000223453774 557473847 /nfs/dbraw/zinc/47/38/47/557473847.db2.gz MQVNLXIZGFFQQG-XMMPIXPASA-N 0 0 436.502 4.284 40 0 IIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1cccnc1 ZINC000223454827 557474185 /nfs/dbraw/zinc/47/41/85/557474185.db2.gz SCRUZHVAYYHWMP-PKTZIBPZSA-N 0 0 426.549 4.143 40 0 IIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1cccnc1 ZINC000223454764 557474231 /nfs/dbraw/zinc/47/42/31/557474231.db2.gz SCRUZHVAYYHWMP-DHIUTWEWSA-N 0 0 426.549 4.143 40 0 IIABRN C[C@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223457496 557474380 /nfs/dbraw/zinc/47/43/80/557474380.db2.gz WKLYTGKZEOSZEL-QGZVFWFLSA-N 0 0 426.582 4.020 40 0 IIABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223471321 557475811 /nfs/dbraw/zinc/47/58/11/557475811.db2.gz CVWLKDVPCBLRTH-RPWUZVMVSA-N 0 0 441.560 4.449 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1cccnc1 ZINC000223473260 557476009 /nfs/dbraw/zinc/47/60/09/557476009.db2.gz DSQDPSRWJXYUMI-FGZHOGPDSA-N 0 0 446.967 4.488 40 0 IIABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)nc1 ZINC000223487113 557478074 /nfs/dbraw/zinc/47/80/74/557478074.db2.gz CHGXZGZCQKDYHL-DHIUTWEWSA-N 0 0 426.549 4.143 40 0 IIABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)nc1 ZINC000223487174 557478130 /nfs/dbraw/zinc/47/81/30/557478130.db2.gz CHGXZGZCQKDYHL-PKTZIBPZSA-N 0 0 426.549 4.143 40 0 IIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000223488339 557478410 /nfs/dbraw/zinc/47/84/10/557478410.db2.gz QKSILAYHCUAPSH-LJQANCHMSA-N 0 0 432.586 4.223 40 0 IIABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccncc1 ZINC000223489090 557478552 /nfs/dbraw/zinc/47/85/52/557478552.db2.gz GGYXKWNHICWRHT-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223489748 557478578 /nfs/dbraw/zinc/47/85/78/557478578.db2.gz MDHHFFWDCUSYAF-RUZDIDTESA-N 0 0 432.539 4.453 40 0 IIABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223497843 557479495 /nfs/dbraw/zinc/47/94/95/557479495.db2.gz CPFWQLMVRDGYBA-AVRDEDQJSA-N 0 0 432.586 4.042 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1ccccn1 ZINC000223522441 557482013 /nfs/dbraw/zinc/48/20/13/557482013.db2.gz JRSIRYRWVKPPRJ-DLBZAZTESA-N 0 0 431.384 4.473 40 0 IIABRN Cc1ccccc1N(CCCC(=O)Nc1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000223535855 557483100 /nfs/dbraw/zinc/48/31/00/557483100.db2.gz RSJXYWOGVSRYCU-UHFFFAOYSA-N 0 0 439.375 4.251 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2cccc(C)c2)cc1 ZINC000223544066 557483787 /nfs/dbraw/zinc/48/37/87/557483787.db2.gz CKJXVCFAOBQYBR-OAQYLSRUSA-N 0 0 436.577 4.419 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223548668 557484464 /nfs/dbraw/zinc/48/44/64/557484464.db2.gz FKKWAZMXORSEQC-LJQANCHMSA-N 0 0 430.976 4.403 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223552093 557484944 /nfs/dbraw/zinc/48/49/44/557484944.db2.gz CWTYCGXUSGYUDH-HXUWFJFHSA-N 0 0 440.584 4.013 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223551969 557484999 /nfs/dbraw/zinc/48/49/99/557484999.db2.gz ONWOMYVOVLVSJN-VWLOTQADSA-N 0 0 431.536 4.277 40 0 IIABRN Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000017096377 557488587 /nfs/dbraw/zinc/48/85/87/557488587.db2.gz BIECHLLSROFPBQ-UHFFFAOYSA-N 0 0 429.351 4.303 40 0 IIABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1 ZINC000017100571 557489069 /nfs/dbraw/zinc/48/90/69/557489069.db2.gz DGNZSLJOWIDEKW-UHFFFAOYSA-N 0 0 436.566 4.159 40 0 IIABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)c(C)c3)nn12 ZINC000017100579 557489103 /nfs/dbraw/zinc/48/91/03/557489103.db2.gz MXBXUYYZWSPUKQ-UHFFFAOYSA-N 0 0 436.566 4.159 40 0 IIABRN CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 ZINC000017103108 557491760 /nfs/dbraw/zinc/49/17/60/557491760.db2.gz BOQYVIHATCSEIH-UHFFFAOYSA-N 0 0 439.328 4.023 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000223626914 557493586 /nfs/dbraw/zinc/49/35/86/557493586.db2.gz GFICXZIBOWBYRA-JOCHJYFZSA-N 0 0 426.557 4.105 40 0 IIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223629350 557494113 /nfs/dbraw/zinc/49/41/13/557494113.db2.gz LCYDPGNWTZVDIK-DNQXCXABSA-N 0 0 428.561 4.380 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223645209 557496151 /nfs/dbraw/zinc/49/61/51/557496151.db2.gz IIKNPMMEJMFKFZ-NHCUHLMSSA-N 0 0 440.956 4.061 40 0 IIABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223648542 557496942 /nfs/dbraw/zinc/49/69/42/557496942.db2.gz YIMSVUWBLTYMCM-UHFFFAOYSA-N 0 0 432.354 4.457 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 ZINC000223655653 557498043 /nfs/dbraw/zinc/49/80/43/557498043.db2.gz JNVNBYPXGBOSKM-HSZRJFAPSA-N 0 0 426.557 4.106 40 0 IIABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc2c3c(cccc31)CC2)S(C)(=O)=O ZINC000223677855 557501052 /nfs/dbraw/zinc/50/10/52/557501052.db2.gz UCODQVGNGGHAKU-UHFFFAOYSA-N 0 0 428.941 4.305 40 0 IIABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O ZINC000223679632 557501312 /nfs/dbraw/zinc/50/13/12/557501312.db2.gz XLMMINCLBLMWAS-UHFFFAOYSA-N 0 0 443.956 4.039 40 0 IIABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c3c(cccc31)CC2)S(C)(=O)=O ZINC000223680114 557501335 /nfs/dbraw/zinc/50/13/35/557501335.db2.gz RMQUDYORKFJZIK-UHFFFAOYSA-N 0 0 428.941 4.305 40 0 IIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000223687739 557502607 /nfs/dbraw/zinc/50/26/07/557502607.db2.gz BHEVZCZETSVXTN-CYBMUJFWSA-N 0 0 442.931 4.457 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Br ZINC000019645598 557504907 /nfs/dbraw/zinc/50/49/07/557504907.db2.gz RHCDESQXUZXVHR-UHFFFAOYSA-N 0 0 447.070 4.018 40 0 IIABRN COc1ccc(NC(=O)C2=C(N)Oc3c4ccccc4oc(=O)c3[C@@H]2c2ccccc2)cc1 ZINC000019631552 557507032 /nfs/dbraw/zinc/50/70/32/557507032.db2.gz YQODPNFUDHUTCS-FQEVSTJZSA-N 0 0 440.455 4.135 40 0 IIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000223765948 557510422 /nfs/dbraw/zinc/51/04/22/557510422.db2.gz QSEYGEOYWPEQBA-NKFKGCMQSA-N 0 0 433.577 4.470 40 0 IIABRN COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019947575 557511429 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4.418 40 0 IIABRN CC(=O)c1cccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)c1 ZINC000223877805 557524615 /nfs/dbraw/zinc/52/46/15/557524615.db2.gz POFMSTLBXUIDKD-UHFFFAOYSA-N 0 0 436.489 4.193 40 0 IIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223888506 557525312 /nfs/dbraw/zinc/52/53/12/557525312.db2.gz WDVGRVWHXRTGLN-IBGZPJMESA-N 0 0 426.532 4.297 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(CC)cc1 ZINC000223910078 557527676 /nfs/dbraw/zinc/52/76/76/557527676.db2.gz KCMFEXDEXDJVGH-HNNXBMFYSA-N 0 0 437.367 4.488 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223918528 557528774 /nfs/dbraw/zinc/52/87/74/557528774.db2.gz WZNGNFKBKLLUCG-CYBMUJFWSA-N 0 0 427.303 4.065 40 0 IIABRN Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223919864 557528965 /nfs/dbraw/zinc/52/89/65/557528965.db2.gz NSMMFTZQUZEVFN-SFTDATJTSA-N 0 0 436.606 4.465 40 0 IIABRN 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/nfs/dbraw/zinc/63/19/89/568631989.db2.gz ZKGTVVZTJUHPIP-JXFKEZNVSA-N 0 0 447.000 4.107 40 0 IIABRN Cc1ccc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@H]3NC(=O)CCCC[C@@H]32)cn1 ZINC000257200052 568665193 /nfs/dbraw/zinc/66/51/93/568665193.db2.gz ABVAYOTXHUEWNH-AABGKKOBSA-N 0 0 431.458 4.423 40 0 IIABRN CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(Cn3cccn3)c2)n1 ZINC000257200039 568665216 /nfs/dbraw/zinc/66/52/16/568665216.db2.gz ABTPIHHFOCQRKZ-QFIPXVFZSA-N 0 0 426.524 4.052 40 0 IIABRN Cc1n[nH]cc1C(=O)NC[C@H]1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)CC1 ZINC000257203461 568666865 /nfs/dbraw/zinc/66/68/65/568666865.db2.gz AQDWQHVLIGMJED-IYARVYRRSA-N 0 0 433.556 4.108 40 0 IIABRN CCn1cnc2cc(NC(=O)C[C@H]3CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)ccc21 ZINC000257205193 568667608 /nfs/dbraw/zinc/66/76/08/568667608.db2.gz AYANVWAYBNXIHX-QGZVFWFLSA-N 0 0 444.539 4.122 40 0 IIABRN Cc1c2cccc(C)c2oc1C(=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000257209257 568669506 /nfs/dbraw/zinc/66/95/06/568669506.db2.gz BPQOVKSOBPBSBQ-HXUWFJFHSA-N 0 0 429.480 4.192 40 0 IIABRN Cc1cc(OC[C@]2(CC(N)=O)CCCN(C(=O)c3ccc(Cl)cc3)C2)ccc1Cl ZINC000257220851 568674791 /nfs/dbraw/zinc/67/47/91/568674791.db2.gz DMLJALWICBJRHY-QFIPXVFZSA-N 0 0 435.351 4.479 40 0 IIABRN O=C(c1n[nH]c2c1CCCCCC2)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257233747 568681083 /nfs/dbraw/zinc/68/10/83/568681083.db2.gz GQOCVFKSRNPJAN-DEOSSOPVSA-N 0 0 448.542 4.407 40 0 IIABRN Cc1nccn1Cc1cccc(C(=O)N2CCN(C)[C@@H](c3ccc(OC(C)C)cc3)C2)c1 ZINC000257248667 568687892 /nfs/dbraw/zinc/68/78/92/568687892.db2.gz JESBUFSHRPMLJB-RUZDIDTESA-N 0 0 432.568 4.156 40 0 IIABRN Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4cn5cc(C)ccc5n4)C3)cc2s1 ZINC000257249175 568688122 /nfs/dbraw/zinc/68/81/22/568688122.db2.gz JHDDUAMITYNETR-KRWDZBQOSA-N 0 0 447.564 4.442 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 ZINC000257249599 568688362 /nfs/dbraw/zinc/68/83/62/568688362.db2.gz JJAVHZOZMCTLPE-GCJKJVERSA-N 0 0 448.611 4.204 40 0 IIABRN Cc1ccc2cc(C(=O)N3CCN(C)C(=O)[C@@H]3Cc3ccc(-c4cccnc4)cc3)[nH]c2c1 ZINC000257252287 568689677 /nfs/dbraw/zinc/68/96/77/568689677.db2.gz JUFZITPGQQQRRR-VWLOTQADSA-N 0 0 438.531 4.064 40 0 IIABRN O=C(Cn1cccc2cc(-c3ccc(F)cc3)nc1-2)N1CCN(Cc2ccccc2)CC1 ZINC000257252585 568689710 /nfs/dbraw/zinc/68/97/10/568689710.db2.gz JVGYJUXDPVFOBB-UHFFFAOYSA-N 0 0 428.511 4.138 40 0 IIABRN Cc1cc(Nc2ccc(F)cn2)nc(C2CCN(CC(=O)Nc3ccccc3F)CC2)n1 ZINC000257254156 568690410 /nfs/dbraw/zinc/69/04/10/568690410.db2.gz KBXDYIGJOPOLKE-UHFFFAOYSA-N 0 0 438.482 4.020 40 0 IIABRN O=C(c1cncc(Cc2cccc(F)c2)c1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000257256884 568691750 /nfs/dbraw/zinc/69/17/50/568691750.db2.gz KNHKPMQNLXKQOP-RUZDIDTESA-N 0 0 431.467 4.053 40 0 IIABRN CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)c4cc(C(C)(C)C)n[nH]4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257258650 568692470 /nfs/dbraw/zinc/69/24/70/568692470.db2.gz KUXQUKSDAJAAGZ-OUANPOPISA-N 0 0 448.611 4.323 40 0 IIABRN Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257258764 568692643 /nfs/dbraw/zinc/69/26/43/568692643.db2.gz KVLCIQWEXDNINU-IBGZPJMESA-N 0 0 447.491 4.035 40 0 IIABRN Cc1cc(C(F)F)n(CC(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 ZINC000257261121 568693538 /nfs/dbraw/zinc/69/35/38/568693538.db2.gz LFUCPSAEZTVPCG-INIZCTEOSA-N 0 0 432.446 4.253 40 0 IIABRN Cc1cc(Nc2nncs2)cc([C@H]2CN(C(=O)CCCc3ccc(F)cc3)CCO2)n1 ZINC000257261708 568694239 /nfs/dbraw/zinc/69/42/39/568694239.db2.gz LIMJOROWKZZIIH-HXUWFJFHSA-N 0 0 441.532 4.047 40 0 IIABRN Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN(C(=O)C3(c4ccccc4)CCCCC3)C2)n1 ZINC000257269771 568697623 /nfs/dbraw/zinc/69/76/23/568697623.db2.gz MRIIYMYDTBZFSA-AREMUKBSSA-N 0 0 448.611 4.269 40 0 IIABRN Cc1nc([C@H]2CCN(C(=O)C3CCCCC3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257281843 568702883 /nfs/dbraw/zinc/70/28/83/568702883.db2.gz ORFFJUPURRYKAN-QFIPXVFZSA-N 0 0 446.595 4.203 40 0 IIABRN CC(C)C[C@]1(O)CCN(C(=O)Cn2ccc3ccc(F)cc32)C[C@@H]1Oc1ccc(F)cc1 ZINC000257283230 568703537 /nfs/dbraw/zinc/70/35/37/568703537.db2.gz OXJFYRJZMPDRFH-UKILVPOCSA-N 0 0 442.506 4.377 40 0 IIABRN NC(=O)CC1(COc2ccc(F)cc2)CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000257288126 568705940 /nfs/dbraw/zinc/70/59/40/568705940.db2.gz PSYHLHJPYJFCIF-UHFFFAOYSA-N 0 0 438.421 4.021 40 0 IIABRN Cc1c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)sc2[nH]cnc(=O)c12 ZINC000257289923 568706716 /nfs/dbraw/zinc/70/67/16/568706716.db2.gz QAUYMVGENJBSPA-MRXNPFEDSA-N 0 0 438.484 4.401 40 0 IIABRN Cn1cc(CN2CCO[C@@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c2ccccc21 ZINC000257292196 568707470 /nfs/dbraw/zinc/70/74/70/568707470.db2.gz QKLBCOSRJRGWJF-AREMUKBSSA-N 0 0 448.542 4.246 40 0 IIABRN COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C1)CO2 ZINC000257293182 568708159 /nfs/dbraw/zinc/70/81/59/568708159.db2.gz QOLKPFHGOPSEPF-RUZDIDTESA-N 0 0 444.535 4.387 40 0 IIABRN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnn1C(C)C ZINC000257297030 568710082 /nfs/dbraw/zinc/71/00/82/568710082.db2.gz RFLQZXHTKLQPRO-AMVJKZIMSA-N 0 0 448.611 4.469 40 0 IIABRN CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)nc1 ZINC000257300457 568711364 /nfs/dbraw/zinc/71/13/64/568711364.db2.gz RUHYYXUIFVWIMA-VWLOTQADSA-N 0 0 447.510 4.413 40 0 IIABRN CN(C)C(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccncc2)CC1 ZINC000257300838 568711593 /nfs/dbraw/zinc/71/15/93/568711593.db2.gz RVWMCLKUPXIELO-UHFFFAOYSA-N 0 0 433.577 4.363 40 0 IIABRN Cc1cc(OCC2(CC(N)=O)CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1Cl ZINC000257300813 568711658 /nfs/dbraw/zinc/71/16/58/568711658.db2.gz RVTUMBGSBQZUJP-UHFFFAOYSA-N 0 0 435.351 4.479 40 0 IIABRN CC(C)n1nccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)CC(C)(C)O[C@H]2CC1 ZINC000257301279 568711774 /nfs/dbraw/zinc/71/17/74/568711774.db2.gz RXTBUFYCAGPAKL-OUVPSQHASA-N 0 0 439.600 4.250 40 0 IIABRN NC(=O)C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ccc(Cl)cc1 ZINC000257302750 568712532 /nfs/dbraw/zinc/71/25/32/568712532.db2.gz SEEAEQVUURIQKS-KSSFIOAISA-N 0 0 440.849 4.144 40 0 IIABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 ZINC000257304181 568712988 /nfs/dbraw/zinc/71/29/88/568712988.db2.gz SKKCSPPBMOLFCO-JOCHJYFZSA-N 0 0 436.943 4.060 40 0 IIABRN COc1cc(CNc2cc(-c3c[nH]nc3[C@@H]3CCN(C(C)=O)C3)ccn2)ccc1OC(C)C ZINC000257311752 568716273 /nfs/dbraw/zinc/71/62/73/568716273.db2.gz UKVRUYQGMGQUAC-HXUWFJFHSA-N 0 0 449.555 4.215 40 0 IIABRN O=C(CCc1nc2ccccc2s1)N1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257320608 568720275 /nfs/dbraw/zinc/72/02/75/568720275.db2.gz VXOBJNDAWIKHQQ-OAQYLSRUSA-N 0 0 448.523 4.425 40 0 IIABRN Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257320666 568720298 /nfs/dbraw/zinc/72/02/98/568720298.db2.gz VXWCLGHXOFKMBK-JOCHJYFZSA-N 0 0 425.916 4.073 40 0 IIABRN CC(C)CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n(C)n2)C1 ZINC000257322682 568720985 /nfs/dbraw/zinc/72/09/85/568720985.db2.gz WGYNRZILDBAYLY-HXUWFJFHSA-N 0 0 439.478 4.006 40 0 IIABRN CCc1nnc(Nc2cccc([C@@H]3CN(Cc4cn(C)c5ccccc45)CCO3)n2)s1 ZINC000257323186 568721315 /nfs/dbraw/zinc/72/13/15/568721315.db2.gz WJBOVKWIDTXKDW-FQEVSTJZSA-N 0 0 434.569 4.304 40 0 IIABRN COc1cc(C(=O)N2CCC[C@H](Cc3cccc(C)n3)C2)ccc1OCc1ccccn1 ZINC000257324153 568721876 /nfs/dbraw/zinc/72/18/76/568721876.db2.gz WNKHKLZGCAYPNJ-HXUWFJFHSA-N 0 0 431.536 4.468 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000257329307 568723930 /nfs/dbraw/zinc/72/39/30/568723930.db2.gz XJHQFZHJQWFFBI-JOCHJYFZSA-N 0 0 447.539 4.071 40 0 IIABRN Cc1cccc(Nc2cncc(C3CCN(C(=O)CC[C@H](O)c4ccc(F)cc4)CC3)n2)n1 ZINC000257331249 568724938 /nfs/dbraw/zinc/72/49/38/568724938.db2.gz XRZAHASRNRSFQT-QFIPXVFZSA-N 0 0 449.530 4.283 40 0 IIABRN O=C(NC[C@H]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1)C1CCCC1 ZINC000257335338 568726561 /nfs/dbraw/zinc/72/65/61/568726561.db2.gz YJTGMHKONWYTFJ-MXVIHJGJSA-N 0 0 449.595 4.287 40 0 IIABRN Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257335526 568726780 /nfs/dbraw/zinc/72/67/80/568726780.db2.gz YKNZVAPPKKTYJR-QGZVFWFLSA-N 0 0 429.571 4.186 40 0 IIABRN CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)Oc2cc(C)ccc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257336592 568727060 /nfs/dbraw/zinc/72/70/60/568727060.db2.gz YPDAGLWZYLRHLG-LADGPHEKSA-N 0 0 434.536 4.489 40 0 IIABRN COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)CC4CCOCC4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257336672 568727431 /nfs/dbraw/zinc/72/74/31/568727431.db2.gz YPMDXVVOAZXSCE-XUZZJYLKSA-N 0 0 443.584 4.369 40 0 IIABRN Cc1cccc(C)c1OCC(=O)N1[C@H](Cc2ccccc2F)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257339681 568728408 /nfs/dbraw/zinc/72/84/08/568728408.db2.gz ZCTMOOOSCDFBGH-AKIFATBCSA-N 0 0 438.543 4.092 40 0 IIABRN O=C(N1CCC[C@@H](Cc2nccn3cccc23)CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000257340522 568728655 /nfs/dbraw/zinc/72/86/55/568728655.db2.gz ZGNDDGOGKOTSKO-HXUWFJFHSA-N 0 0 435.543 4.393 40 0 IIABRN Cc1cccc(C)c1NC(=O)CN1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1 ZINC000257345096 568730688 /nfs/dbraw/zinc/73/06/88/568730688.db2.gz ZZYIQRUKLYCISH-WIOPSUGQSA-N 0 0 428.548 4.312 40 0 IIABRN CC(C)(C)c1n[nH]cc1CN1CCO[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257344925 568730899 /nfs/dbraw/zinc/73/08/99/568730899.db2.gz ZZGSJDYDQRZQKY-NRFANRHFSA-N 0 0 443.979 4.279 40 0 IIABRN CC(C)n1cc(CN2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)cc4)ccc2S3(=O)=O)cn1 ZINC000306133129 568767686 /nfs/dbraw/zinc/76/76/86/568767686.db2.gz MCTTWNPNSZYBPD-GGAORHGYSA-N 0 0 425.529 4.025 40 0 IIABRN O=C(NCc1ccc(F)cc1)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306136243 568769357 /nfs/dbraw/zinc/76/93/57/568769357.db2.gz PNURZNQIIBAWCT-JOCHJYFZSA-N 0 0 442.494 4.381 40 0 IIABRN COc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5nccs5)C4)nn3c2)c1OC ZINC000306143736 568773341 /nfs/dbraw/zinc/77/33/41/568773341.db2.gz YLBLQVPNPHZLJI-QGZVFWFLSA-N 0 0 435.553 4.250 40 0 IIABRN O=C(NCc1ccc(OCc2ccccc2)cc1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000066088931 568795076 /nfs/dbraw/zinc/79/50/76/568795076.db2.gz GCWIIQCLMCVDQY-UHFFFAOYSA-N 0 0 432.911 4.489 40 0 IIABRN Cc1cc(C)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](C)CO)n2)c1 ZINC000328980383 568808315 /nfs/dbraw/zinc/80/83/15/568808315.db2.gz GMANLQZIMKCDIS-OAHLLOKOSA-N 0 0 432.446 4.039 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(C2CC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328980786 568808350 /nfs/dbraw/zinc/80/83/50/568808350.db2.gz GPDPIORRKMEZEG-IBGZPJMESA-N 0 0 436.478 4.244 40 0 IIABRN Cc1cc(C)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](C)CO)n2)c1 ZINC000328980382 568808464 /nfs/dbraw/zinc/80/84/64/568808464.db2.gz GMANLQZIMKCDIS-HNNXBMFYSA-N 0 0 432.446 4.039 40 0 IIABRN CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1c3ccc(Cl)cc3C=C[C@@H]21 ZINC000101474059 568844093 /nfs/dbraw/zinc/84/40/93/568844093.db2.gz VTIPBHAMWXBXQO-MWVRUIGXSA-N 0 0 434.923 4.207 40 0 IIABRN CCCOc1ccc(-n2nc3cc(Br)c(N)c(Br)c3n2)cc1 ZINC000216870390 568863047 /nfs/dbraw/zinc/86/30/47/568863047.db2.gz QZZZJMSGHYNCHK-UHFFFAOYSA-N 0 0 426.112 4.317 40 0 IIABRN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 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446.580 4.316 40 0 IIABRN Cc1nc([C@@]2(O)CCCN(C(=O)CC(C)C)CC2)sc1CCOc1ccccc1F ZINC000019738760 569236047 /nfs/dbraw/zinc/23/60/47/569236047.db2.gz BQOVIPCWQBSPNG-HSZRJFAPSA-N 0 0 434.577 4.458 40 0 IIABRN CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)CCc2ccccc2F)C1 ZINC000019739199 569236566 /nfs/dbraw/zinc/23/65/66/569236566.db2.gz FMNPFZKIWOAVFI-RUZDIDTESA-N 0 0 441.547 4.001 40 0 IIABRN CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000019739244 569236598 /nfs/dbraw/zinc/23/65/98/569236598.db2.gz LRACNHMKFASPET-SANMLTNESA-N 0 0 446.551 4.092 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)CCCc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019751928 569236674 /nfs/dbraw/zinc/23/66/74/569236674.db2.gz HIELCJBTMLTSRI-FQEVSTJZSA-N 0 0 443.551 4.161 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)CCCc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019751926 569236724 /nfs/dbraw/zinc/23/67/24/569236724.db2.gz HIELCJBTMLTSRI-HXUWFJFHSA-N 0 0 443.551 4.161 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)ncc1C(=O)Nc1ccccc1 ZINC000019755827 569236836 /nfs/dbraw/zinc/23/68/36/569236836.db2.gz ZCYQANHSRCRFGX-OAQYLSRUSA-N 0 0 444.539 4.007 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCC[C@@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 ZINC000019765292 569238852 /nfs/dbraw/zinc/23/88/52/569238852.db2.gz PWUUJJLOLFCROE-LJQANCHMSA-N 0 0 444.535 4.374 40 0 IIABRN COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 ZINC000020241869 569241329 /nfs/dbraw/zinc/24/13/29/569241329.db2.gz ZXSCQLDWVWQNIE-UHFFFAOYSA-N 0 0 431.536 4.278 40 0 IIABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(C)c1Cl ZINC000021308791 569241598 /nfs/dbraw/zinc/24/15/98/569241598.db2.gz FEAAQOHEKOCPMO-MRXNPFEDSA-N 0 0 436.961 4.147 40 0 IIABRN COc1ccc(NC2=NC(=O)C(=Cc3ccc(Br)c([N+](=O)[O-])c3)S2)cc1 ZINC000023986861 569241824 /nfs/dbraw/zinc/24/18/24/569241824.db2.gz KHCWZPQNZFOAPC-OQLLNIDSSA-N 0 0 434.271 4.448 40 0 IIABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000024715948 569241849 /nfs/dbraw/zinc/24/18/49/569241849.db2.gz QIHOALPGTDATMI-NRFANRHFSA-N 0 0 444.531 4.499 40 0 IIABRN N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)C(N)=O ZINC000023718413 569241881 /nfs/dbraw/zinc/24/18/81/569241881.db2.gz HIEWACWSFNNHID-AWNIVKPZSA-N 0 0 436.103 4.183 40 0 IIABRN CCn1c(CCCc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000033538896 569244404 /nfs/dbraw/zinc/24/44/04/569244404.db2.gz AYINUCOWFVFVOO-UHFFFAOYSA-N 0 0 425.554 4.466 40 0 IIABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000033616748 569245007 /nfs/dbraw/zinc/24/50/07/569245007.db2.gz NZGBRKDFQYOYCM-UHFFFAOYSA-N 0 0 445.368 4.254 40 0 IIABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C ZINC000033663418 569245573 /nfs/dbraw/zinc/24/55/73/569245573.db2.gz SNMWUEMRMCZPDR-UHFFFAOYSA-N 0 0 446.569 4.022 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)c(C)c1 ZINC000033772544 569246710 /nfs/dbraw/zinc/24/67/10/569246710.db2.gz NHFXUYRUDRJTPC-UHFFFAOYSA-N 0 0 430.570 4.240 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000033783297 569246855 /nfs/dbraw/zinc/24/68/55/569246855.db2.gz UJGLAGGOZJBBJS-UHFFFAOYSA-N 0 0 444.940 4.388 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)Cc2ccccc2)cc1C ZINC000033783268 569246861 /nfs/dbraw/zinc/24/68/61/569246861.db2.gz DYQUMJVDZKNFLA-UHFFFAOYSA-N 0 0 438.549 4.142 40 0 IIABRN CCCOc1c(I)cc(C(=O)Nc2cccc(OC)c2)cc1OC ZINC000033788971 569246976 /nfs/dbraw/zinc/24/69/76/569246976.db2.gz HFWIITIQZUMHBU-UHFFFAOYSA-N 0 0 441.265 4.350 40 0 IIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000035124845 569248282 /nfs/dbraw/zinc/24/82/82/569248282.db2.gz MBZYTFMYPBWTTA-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc(Cl)cc1 ZINC000038161289 569248756 /nfs/dbraw/zinc/24/87/56/569248756.db2.gz WJPWNGRKBIQCRJ-UHFFFAOYSA-N 0 0 439.722 4.324 40 0 IIABRN CCN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)NC1=S ZINC000039556323 569249078 /nfs/dbraw/zinc/24/90/78/569249078.db2.gz XMLYTZDSABLORJ-UYRXBGFRSA-N 0 0 425.941 4.451 40 0 IIABRN O=C1N/C(=C\c2ccccc2I)C(=O)N1Cc1ccccc1Cl ZINC000107773788 569251210 /nfs/dbraw/zinc/25/12/10/569251210.db2.gz SFYUYTVIMZSWMK-DHDCSXOGSA-N 0 0 438.652 4.038 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)cc1C ZINC000107875021 569251453 /nfs/dbraw/zinc/25/14/53/569251453.db2.gz TWILFGVTNKMOFY-UHFFFAOYSA-N 0 0 442.581 4.490 40 0 IIABRN Cc1c(OCc2nnc(SCC(=O)NCCc3ccccc3)n2C)ccc2ccccc21 ZINC000108948211 569253217 /nfs/dbraw/zinc/25/32/17/569253217.db2.gz XQHZZNQOKZBTJE-UHFFFAOYSA-N 0 0 446.576 4.307 40 0 IIABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1C ZINC000111882763 569253676 /nfs/dbraw/zinc/25/36/76/569253676.db2.gz WVKQCCTVYGMBJZ-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1C ZINC000111882765 569253690 /nfs/dbraw/zinc/25/36/90/569253690.db2.gz WVKQCCTVYGMBJZ-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000138744769 569254147 /nfs/dbraw/zinc/25/41/47/569254147.db2.gz OKRJAXIJXYTNPK-UHFFFAOYSA-N 0 0 430.888 4.142 40 0 IIABRN CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000138949420 569254343 /nfs/dbraw/zinc/25/43/43/569254343.db2.gz OVJFJYVISPIWRX-UHFFFAOYSA-N 0 0 437.279 4.097 40 0 IIABRN O=C(c1cccc(N2C(=O)c3ccc(Br)cc3C2=O)c1)N1CCCCCC1 ZINC000138955534 569254344 /nfs/dbraw/zinc/25/43/44/569254344.db2.gz OOODXWAFCOPGTA-UHFFFAOYSA-N 0 0 427.298 4.266 40 0 IIABRN COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1 ZINC000138976595 569254355 /nfs/dbraw/zinc/25/43/55/569254355.db2.gz XMPGXELFAKNGFO-UHFFFAOYSA-N 0 0 448.475 4.388 40 0 IIABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)cc1 ZINC000210812860 569255828 /nfs/dbraw/zinc/25/58/28/569255828.db2.gz VYOUVDBOHYQHQB-MHWRWJLKSA-N 0 0 447.310 4.133 40 0 IIABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(=O)OC ZINC000214350542 569256116 /nfs/dbraw/zinc/25/61/16/569256116.db2.gz AHKSUQHHVJVLCE-YBFXNURJSA-N 0 0 445.468 4.013 40 0 IIABRN O=C(Nc1cccc2ccccc21)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000008918648 569292334 /nfs/dbraw/zinc/29/23/34/569292334.db2.gz QGXRMOATNJAHIP-CKOBMMNXSA-N 0 0 438.527 4.421 40 0 IIABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3cc(Cl)ccc3N1[C@@H]2C(=O)c1ccccc1 ZINC000009061214 569293425 /nfs/dbraw/zinc/29/34/25/569293425.db2.gz IOTZCKSJUFVLPC-YSFYHYPLSA-N 0 0 434.923 4.208 40 0 IIABRN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000009953327 569298692 /nfs/dbraw/zinc/29/86/92/569298692.db2.gz KWVQAKUXHIUMNS-FLXNRXMOSA-N 0 0 447.624 4.451 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1 ZINC000019689683 569326500 /nfs/dbraw/zinc/32/65/00/569326500.db2.gz PFVMJWDGELSUDN-HSZRJFAPSA-N 0 0 446.551 4.133 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)c1 ZINC000019694552 569326595 /nfs/dbraw/zinc/32/65/95/569326595.db2.gz NHQMBUCQETVIBB-FQEVSTJZSA-N 0 0 448.542 4.306 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)c1 ZINC000019694651 569326758 /nfs/dbraw/zinc/32/67/58/569326758.db2.gz BHGQZOMNVNDLDS-HXUWFJFHSA-N 0 0 446.551 4.247 40 0 IIABRN CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2ccccc2)CC1 ZINC000019700110 569326993 /nfs/dbraw/zinc/32/69/93/569326993.db2.gz XRLANXCXPVVPLN-UHFFFAOYSA-N 0 0 441.575 4.231 40 0 IIABRN CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2ccccc2)CC1 ZINC000019700106 569327055 /nfs/dbraw/zinc/32/70/55/569327055.db2.gz OQHAHBONGVDFPF-UHFFFAOYSA-N 0 0 427.548 4.302 40 0 IIABRN CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)CCc2ccccc2)CC1 ZINC000019700111 569327091 /nfs/dbraw/zinc/32/70/91/569327091.db2.gz NBIHTWXOQBLSGX-UHFFFAOYSA-N 0 0 441.575 4.279 40 0 IIABRN NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CCc2ccccc2)CC1 ZINC000019700341 569327117 /nfs/dbraw/zinc/32/71/17/569327117.db2.gz OYXQXYJBCWQWQZ-UHFFFAOYSA-N 0 0 427.548 4.018 40 0 IIABRN CCN(C(=O)c1cc(C)nc(N)n1)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 ZINC000019711915 569327701 /nfs/dbraw/zinc/32/77/01/569327701.db2.gz YVGITSATHKIQLK-YADARESESA-N 0 0 446.551 4.425 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019742059 569328256 /nfs/dbraw/zinc/32/82/56/569328256.db2.gz MSPFYQDXSHLYHK-QFIPXVFZSA-N 0 0 444.510 4.381 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1 ZINC000019755803 569328589 /nfs/dbraw/zinc/32/85/89/569328589.db2.gz NVQJRHWLGZKVHB-QHCPKHFHSA-N 0 0 444.535 4.342 40 0 IIABRN Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2C(=O)Cc2ccccc2F)n1 ZINC000019766972 569329150 /nfs/dbraw/zinc/32/91/50/569329150.db2.gz FWGGTNINYCLGGW-JOCHJYFZSA-N 0 0 432.499 4.473 40 0 IIABRN CCc1ccc(NC(=O)CSc2nnc(-n3cccc3)n2-c2cccc(OC)c2)cc1 ZINC000028534804 569410968 /nfs/dbraw/zinc/41/09/68/569410968.db2.gz CHFRDVVUHCTSCM-UHFFFAOYSA-N 0 0 433.537 4.360 40 0 IIABRN Cc1nc2sc3c(c2c(SCC(=O)NCc2ccc4c(c2)OCO4)n1)CCCC3 ZINC000003520038 569453167 /nfs/dbraw/zinc/45/31/67/569453167.db2.gz VSDXJWHWWKLSDQ-UHFFFAOYSA-N 0 0 427.551 4.016 40 0 IIABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N ZINC000003528795 569453336 /nfs/dbraw/zinc/45/33/36/569453336.db2.gz VZVIZWTWKKBFGF-UHFFFAOYSA-N 0 0 425.558 4.086 40 0 IIABRN COc1ccccc1CCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000003645186 569455655 /nfs/dbraw/zinc/45/56/55/569455655.db2.gz DDQBYRZWTOOISW-RDTXWAMCSA-N 0 0 434.418 4.118 40 0 IIABRN Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(N[C@H](CO)C(C)C)n1 ZINC000329021330 569583238 /nfs/dbraw/zinc/58/32/38/569583238.db2.gz OGBSBPVIXRGWES-CYBMUJFWSA-N 0 0 433.272 4.739 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccn2)n1 ZINC000329020817 569583377 /nfs/dbraw/zinc/58/33/77/569583377.db2.gz OCXQZUDMDCYFPH-SFHVURJKSA-N 0 0 446.324 4.613 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccn2)n1 ZINC000329009669 569583389 /nfs/dbraw/zinc/58/33/89/569583389.db2.gz LWNNXWLWDKFHBU-SFHVURJKSA-N 0 0 446.324 4.613 40 0 IIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000328984456 569584337 /nfs/dbraw/zinc/58/43/37/569584337.db2.gz HMGYCENARJNGLX-LJQANCHMSA-N 0 0 431.462 5.038 40 0 IIABRN CCOc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCCO)n2)cc1 ZINC000329020832 569584520 /nfs/dbraw/zinc/58/45/20/569584520.db2.gz ODKLDXKXTUPDEH-UHFFFAOYSA-N 0 0 448.445 4.979 40 0 IIABRN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc(OC(F)(F)F)cc3)ccc12 ZINC000005414959 291386160 /nfs/dbraw/zinc/38/61/60/291386160.db2.gz HVHIVZAJWLNZKA-GOEBONIOSA-N 0 0 444.409 4.266 40 0 biogenic,in-vitro IIABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)C1CCCCC1 ZINC000067896461 291385799 /nfs/dbraw/zinc/38/57/99/291385799.db2.gz BUHKQWSJWJQOMU-ISKFKSNPSA-N 0 0 428.573 4.047 40 0 biogenic,in-vitro IIABRN COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3)nnc2-c2cccnc2)cc1 ZINC000006177216 193888503 /nfs/dbraw/zinc/88/85/03/193888503.db2.gz LLEXJRQTTNKPQC-INIZCTEOSA-N 0 0 431.521 4.457 40 0 IIABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408607867 193976367 /nfs/dbraw/zinc/97/63/67/193976367.db2.gz QRVFNRGXKXPGEW-HXUWFJFHSA-N 0 0 448.466 4.234 40 0 IIABRN CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCN(c3ccccn3)CC1)CCCC2 ZINC000001281000 132241174 /nfs/dbraw/zinc/24/11/74/132241174.db2.gz NYBJWJXITFBQIV-XMMPIXPASA-N 0 0 447.608 4.287 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000010688197 132336258 /nfs/dbraw/zinc/33/62/58/132336258.db2.gz PRGOIYZZCWMRBP-UHFFFAOYSA-N 0 0 438.524 4.385 40 0 IIABRN O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN(c2c3c(nc4ncnn42)CCC3)C1 ZINC000013085993 132344257 /nfs/dbraw/zinc/34/42/57/132344257.db2.gz FQGZTARZASMFII-LJQANCHMSA-N 0 0 438.535 4.135 40 0 IIABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CCc3cccnc3)CC1)N2 ZINC000019084148 517394270 /nfs/dbraw/zinc/39/42/70/517394270.db2.gz DVORSTAPMVKFRN-RBUKOAKNSA-N 0 0 445.558 4.437 40 0 IIABRN CC(=O)c1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2cccs2)cc1 ZINC000012871093 518340764 /nfs/dbraw/zinc/34/07/64/518340764.db2.gz NBQPBCUGWDYWKR-GOSISDBHSA-N 0 0 442.566 4.105 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871913 518746385 /nfs/dbraw/zinc/74/63/85/518746385.db2.gz KPJWIXISVQVONR-LJQANCHMSA-N 0 0 444.507 4.115 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)c1csnn1 ZINC000012638271 518747641 /nfs/dbraw/zinc/74/76/41/518747641.db2.gz XXMCXAJFELSGFG-IBGZPJMESA-N 0 0 442.972 4.490 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012870262 518748401 /nfs/dbraw/zinc/74/84/01/518748401.db2.gz FRCLEHWVBCIVGN-SFHVURJKSA-N 0 0 430.480 4.119 40 0 IIABRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000016320890 519640790 /nfs/dbraw/zinc/64/07/90/519640790.db2.gz RMURZIOBNLMQQM-UHFFFAOYSA-N 0 0 448.573 4.313 40 0 IIABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(I)cc1 ZINC000012656712 519803321 /nfs/dbraw/zinc/80/33/21/519803321.db2.gz ZJDHXMIUYBZZJY-JQFCIGGWSA-N 0 0 444.309 4.452 40 0 IIABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(I)cc1 ZINC000012656716 519825936 /nfs/dbraw/zinc/82/59/36/519825936.db2.gz ZJDHXMIUYBZZJY-XKQJLSEDSA-N 0 0 444.309 4.452 40 0 IIABRN CC(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1 ZINC000012873281 519839060 /nfs/dbraw/zinc/83/90/60/519839060.db2.gz HHYGCQWBJIDEJM-QFIPXVFZSA-N 0 0 434.565 4.324 40 0 IIABRN CCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000012474452 519906560 /nfs/dbraw/zinc/90/65/60/519906560.db2.gz JDLHUYOQUPEUFT-UHFFFAOYSA-N 0 0 437.565 4.106 40 0 IIABRN CCCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000022427435 520383334 /nfs/dbraw/zinc/38/33/34/520383334.db2.gz UCXSHUNIZQOSJG-QFIPXVFZSA-N 0 0 432.586 4.126 40 0 IIABRN CCOc1ccc(CCCC(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1C ZINC000012187534 520945709 /nfs/dbraw/zinc/94/57/09/520945709.db2.gz GPGPHFJPQPUZLU-UHFFFAOYSA-N 0 0 449.555 4.271 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020637472 521093444 /nfs/dbraw/zinc/09/34/44/521093444.db2.gz ZWIGJMZSMGEXRJ-XZOQPEGZSA-N 0 0 441.487 4.336 40 0 IIABRN CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(OC)cc4)c(CC)nn3c2C)cc1 ZINC000020672923 521121091 /nfs/dbraw/zinc/12/10/91/521121091.db2.gz GXQLXHIWUHDLCG-UHFFFAOYSA-N 0 0 431.496 4.322 40 0 IIABRN CCOc1ccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000225825253 521124234 /nfs/dbraw/zinc/12/42/34/521124234.db2.gz IXNJOUVOHDUHIC-UHFFFAOYSA-N 0 0 433.331 4.384 40 0 IIABRN CCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000032125405 521326285 /nfs/dbraw/zinc/32/62/85/521326285.db2.gz FVWBLQFHFCELMI-UHFFFAOYSA-N 0 0 429.520 4.300 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 ZINC000012872366 521336818 /nfs/dbraw/zinc/33/68/18/521336818.db2.gz ARCWXFFVVVDNHA-LJQANCHMSA-N 0 0 426.542 4.128 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1cnccn1 ZINC000012635172 521344613 /nfs/dbraw/zinc/34/46/13/521344613.db2.gz QTNXPIYIYFHVMO-QFIPXVFZSA-N 0 0 434.515 4.304 40 0 IIABRN CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000022394924 521382294 /nfs/dbraw/zinc/38/22/94/521382294.db2.gz QWCUCXBYDKAWIV-QGZVFWFLSA-N 0 0 432.586 4.026 40 0 IIABRN CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256127 521445785 /nfs/dbraw/zinc/44/57/85/521445785.db2.gz NTYBOIXIOAVRAI-FQEVSTJZSA-N 0 0 434.540 4.319 40 0 IIABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000022252705 521659389 /nfs/dbraw/zinc/65/93/89/521659389.db2.gz OHXQPZPYKDNPAM-UHFFFAOYSA-N 0 0 447.340 4.049 40 0 IIABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020456407 521774810 /nfs/dbraw/zinc/77/48/10/521774810.db2.gz WCRLBLKCJOXDQD-UHFFFAOYSA-N 0 0 439.002 4.491 40 0 IIABRN CCc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000020459915 521851093 /nfs/dbraw/zinc/85/10/93/521851093.db2.gz ZPHQPQZOZWNJDC-VWLOTQADSA-N 0 0 436.577 4.229 40 0 IIABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000020454928 521979001 /nfs/dbraw/zinc/97/90/01/521979001.db2.gz DYBCOADATIAWLX-UHFFFAOYSA-N 0 0 444.487 4.075 40 0 IIABRN COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2sc(C)c(C)c2c1=O ZINC000012710809 522073106 /nfs/dbraw/zinc/07/31/06/522073106.db2.gz WSEPKZUJNXQHJC-UHFFFAOYSA-N 0 0 431.583 4.069 40 0 IIABRN COc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc(OC)c1OC ZINC000012238651 522135591 /nfs/dbraw/zinc/13/55/91/522135591.db2.gz FOSHGVVZBFUIRT-LJQANCHMSA-N 0 0 448.523 4.008 40 0 IIABRN CCc1nnc2sc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nn12 ZINC000020609729 522805603 /nfs/dbraw/zinc/80/56/03/522805603.db2.gz MMVSWVYFHAWQBI-UHFFFAOYSA-N 0 0 428.315 4.430 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)c(C)cc3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035315236 523041321 /nfs/dbraw/zinc/04/13/21/523041321.db2.gz PNTXGQHVDLAMBT-VWLOTQADSA-N 0 0 446.547 4.436 40 0 IIABRN COc1ccc(-c2c(C)nn3c2nnc(C(=O)Nc2ccc(C)c(C)c2)c3C)cc1OC ZINC000020633566 523079940 /nfs/dbraw/zinc/07/99/40/523079940.db2.gz FKLVRIOBQOFAQW-UHFFFAOYSA-N 0 0 431.496 4.294 40 0 IIABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1Cl ZINC000020610810 523350167 /nfs/dbraw/zinc/35/01/67/523350167.db2.gz DKMYRSJNJSGRSV-UHFFFAOYSA-N 0 0 436.855 4.106 40 0 IIABRN COc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)ccc3n3nnnc23)cc1 ZINC000035311106 523616120 /nfs/dbraw/zinc/61/61/20/523616120.db2.gz DFMBVTRHDJESFO-UHFFFAOYSA-N 0 0 437.503 4.437 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)Cc4cccc(OC)c4)CC3)cc2n1 ZINC000012160480 523779503 /nfs/dbraw/zinc/77/95/03/523779503.db2.gz JOATUAFVDSFGKK-UHFFFAOYSA-N 0 0 446.473 4.268 40 0 IIABRN CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)CC)c2cccnc2)c1 ZINC000012875018 524070621 /nfs/dbraw/zinc/07/06/21/524070621.db2.gz ACRJMDAUHWIYIR-HXUWFJFHSA-N 0 0 437.569 4.188 40 0 IIABRN CCc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)CC)c2ccncc2)c1 ZINC000012874921 524071300 /nfs/dbraw/zinc/07/13/00/524071300.db2.gz VMCGIMYDSKITKX-FQEVSTJZSA-N 0 0 437.569 4.188 40 0 IIABRN Cc1cccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2cccnc2)c1C 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FOSNTVDHSDNFAX-FSSWDIPSSA-N 0 0 434.879 4.400 40 0 IIABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231574 524424629 /nfs/dbraw/zinc/42/46/29/524424629.db2.gz JRZXOBYBCJRBED-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN Cc1cccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1C ZINC000020490218 524523028 /nfs/dbraw/zinc/52/30/28/524523028.db2.gz GIROHKMLSYUQOZ-VWLOTQADSA-N 0 0 436.577 4.284 40 0 IIABRN COc1ccc(NC(=S)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1 ZINC000012878025 524666704 /nfs/dbraw/zinc/66/67/04/524666704.db2.gz FXVYRCDCCSKRLN-UHFFFAOYSA-N 0 0 440.594 4.346 40 0 IIABRN Cc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2F)c1 ZINC000012870135 524813057 /nfs/dbraw/zinc/81/30/57/524813057.db2.gz UCNCKSXDRBBSNK-NRFANRHFSA-N 0 0 438.528 4.433 40 0 IIABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1 ZINC000012492860 524876910 /nfs/dbraw/zinc/87/69/10/524876910.db2.gz ANIXKJBPKNRMEP-URXFXBBRSA-N 0 0 449.576 4.064 40 0 IIABRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCC(=O)c5ccccc5)nc4nc3C2)c1 ZINC000020796002 524887289 /nfs/dbraw/zinc/88/72/89/524887289.db2.gz VFPBITIUBAAFMY-GOSISDBHSA-N 0 0 428.517 4.320 40 0 IIABRN C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000022535891 524945818 /nfs/dbraw/zinc/94/58/18/524945818.db2.gz DHTJQODFHLMPMD-KRWDZBQOSA-N 0 0 444.503 4.033 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2ccccc2F)cc1 ZINC000022389195 525010504 /nfs/dbraw/zinc/01/05/04/525010504.db2.gz DFMVSVJSZDXYOD-UHFFFAOYSA-N 0 0 446.544 4.036 40 0 IIABRN Cc1ccccc1-n1c(C)nc2cc(NC(=S)NC(=O)c3ccccc3)ccc2c1=O ZINC000001718102 525025343 /nfs/dbraw/zinc/02/53/43/525025343.db2.gz QGDTXLVNXPVBMO-UHFFFAOYSA-N 0 0 428.517 4.129 40 0 IIABRN C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000020483280 525210652 /nfs/dbraw/zinc/21/06/52/525210652.db2.gz KSZXASGESPXIIO-SFHVURJKSA-N 0 0 428.598 4.401 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022529444 525348013 /nfs/dbraw/zinc/34/80/13/525348013.db2.gz VNTHPXHHHHBBRN-QHCPKHFHSA-N 0 0 446.613 4.488 40 0 IIABRN Cc1ccc(OCC(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 ZINC000020153659 525384571 /nfs/dbraw/zinc/38/45/71/525384571.db2.gz ILTODEXLSFFARO-UHFFFAOYSA-N 0 0 430.913 4.293 40 0 IIABRN C[C@@H]1Cc2cc(C(=O)N3CCCCCC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448680 525518812 /nfs/dbraw/zinc/51/88/12/525518812.db2.gz VMQXUIMVALCIAS-MRXNPFEDSA-N 0 0 432.973 4.496 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000022539769 525520736 /nfs/dbraw/zinc/52/07/36/525520736.db2.gz NBGKVVYYGPYZIY-FQEVSTJZSA-N 0 0 428.598 4.198 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(C)cc2C)o1 ZINC000012636990 525676169 /nfs/dbraw/zinc/67/61/69/525676169.db2.gz YITDGFURMSXGQO-IBGZPJMESA-N 0 0 426.542 4.359 40 0 IIABRN COc1cccc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3cc(C)no3)CC2)c1 ZINC000012156549 525798019 /nfs/dbraw/zinc/79/80/19/525798019.db2.gz YYIZXUXKFQWWLS-UHFFFAOYSA-N 0 0 433.512 4.043 40 0 IIABRN Cc1ccsc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1csnn1)C1CCCC1 ZINC000012873642 525868973 /nfs/dbraw/zinc/86/89/73/525868973.db2.gz FVLAFURJJWJDBN-SFHVURJKSA-N 0 0 432.615 4.483 40 0 IIABRN Cc1ccsc1[C@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccccc1F ZINC000012870066 525886104 /nfs/dbraw/zinc/88/61/04/525886104.db2.gz ZNBCGFAPBCHORQ-MRXNPFEDSA-N 0 0 432.546 4.350 40 0 IIABRN Cc1ccsc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1csnn1)C1CCCC1 ZINC000012873633 525887112 /nfs/dbraw/zinc/88/71/12/525887112.db2.gz FVLAFURJJWJDBN-GOSISDBHSA-N 0 0 432.615 4.483 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000022397492 525887600 /nfs/dbraw/zinc/88/76/00/525887600.db2.gz IIEFQRZTSGBPLG-INIZCTEOSA-N 0 0 432.542 4.268 40 0 IIABRN COc1cccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225660286 525905993 /nfs/dbraw/zinc/90/59/93/525905993.db2.gz KUMZABPLHNLPNJ-SFHVURJKSA-N 0 0 446.975 4.450 40 0 IIABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCc1ccc(Cl)cc1)[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000012142481 525913726 /nfs/dbraw/zinc/91/37/26/525913726.db2.gz BRIDOPIBKLNWKD-CIQZPUONSA-N 0 0 437.971 4.377 40 0 IIABRN C[C@H](Oc1ccc(F)cc1F)C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000012219784 525937987 /nfs/dbraw/zinc/93/79/87/525937987.db2.gz UEGFFCFFBNQSLW-XOBRGWDASA-N 0 0 438.478 4.414 40 0 IIABRN C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012364827 526008735 /nfs/dbraw/zinc/00/87/35/526008735.db2.gz IBJMFPGRQOWLOT-KRWDZBQOSA-N 0 0 429.549 4.264 40 0 IIABRN Cc1cc(-c2cc(=O)n([C@H](C)C(=O)Nc3ccc(F)c(Cl)c3)nc2-c2ccco2)on1 ZINC000012251592 526037817 /nfs/dbraw/zinc/03/78/17/526037817.db2.gz XLLJFMOMASAWGY-GFCCVEGCSA-N 0 0 442.834 4.459 40 0 IIABRN C[C@H](C(=O)NCc1ccco1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466375 526088968 /nfs/dbraw/zinc/08/89/68/526088968.db2.gz GLMIPOICBAYVRZ-MTWOVEBYSA-N 0 0 446.632 4.276 40 0 biogenic,in-vitro IIABRN O=C(NCCN1CCCC1=O)C1(Cc2ccccc2-c2coc3ccccc32)CCOCC1 ZINC000012234953 526305160 /nfs/dbraw/zinc/30/51/60/526305160.db2.gz CWLLFXXZHBPDTL-UHFFFAOYSA-N 0 0 446.547 4.178 40 0 IIABRN Cc1nc(-c2cccnc2)sc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022237591 526612155 /nfs/dbraw/zinc/61/21/55/526612155.db2.gz NLGAFPWDNPOXMY-UHFFFAOYSA-N 0 0 432.471 4.495 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000016428958 526965550 /nfs/dbraw/zinc/96/55/50/526965550.db2.gz WXAYFHQWGJALHS-UHFFFAOYSA-N 0 0 443.352 4.186 40 0 IIABRN O=C(COc1cccc(F)c1)N1CCC2(C[C@]3(CO2)Nc2ccccc2-n2cccc23)CC1 ZINC000012086215 526976347 /nfs/dbraw/zinc/97/63/47/526976347.db2.gz UKYQWLSVXUHSRN-AREMUKBSSA-N 0 0 447.510 4.098 40 0 IIABRN O=C1N/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000035253523 527040347 /nfs/dbraw/zinc/04/03/47/527040347.db2.gz DGPIKMZCPPSQIF-UNOMPAQXSA-N 0 0 440.272 4.472 40 0 IIABRN O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1ccc(Cl)cc1 ZINC000012882241 527062224 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CC(C)CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000035352096 556081007 /nfs/dbraw/zinc/08/10/07/556081007.db2.gz XZISEUJINBPWBU-UHFFFAOYSA-N 0 0 445.368 4.335 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)N1CCCCCC1 ZINC000408693493 556099278 /nfs/dbraw/zinc/09/92/78/556099278.db2.gz XJTVHGAQSFJHRF-UHFFFAOYSA-N 0 0 436.961 4.474 40 0 IIABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000408697483 556101005 /nfs/dbraw/zinc/10/10/05/556101005.db2.gz JSDBESFOKOVQTN-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000408701283 556104139 /nfs/dbraw/zinc/10/41/39/556104139.db2.gz VKRQLFMNRSOLIC-UHFFFAOYSA-N 0 0 432.851 4.396 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000408701507 556104486 /nfs/dbraw/zinc/10/44/86/556104486.db2.gz ZAJHEKRPCYDJHI-WIYYLYMNSA-N 0 0 444.597 4.097 40 0 IIABRN CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1 ZINC000408701719 556105186 /nfs/dbraw/zinc/10/51/86/556105186.db2.gz DLTWDFXYOFTWEM-UHFFFAOYSA-N 0 0 434.945 4.216 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCC(C)CC1 ZINC000408702122 556105441 /nfs/dbraw/zinc/10/54/41/556105441.db2.gz CQHDQVOIJAMCIY-UHFFFAOYSA-N 0 0 430.570 4.492 40 0 IIABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000408703854 556111268 /nfs/dbraw/zinc/11/12/68/556111268.db2.gz ZSMLSVABCFPBLJ-QGZVFWFLSA-N 0 0 440.521 4.210 40 0 IIABRN CC(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000408710013 556116300 /nfs/dbraw/zinc/11/63/00/556116300.db2.gz LIMXTKUPKYPJMP-UHFFFAOYSA-N 0 0 443.547 4.037 40 0 IIABRN CCn1cc(C(=O)Nc2ccc(I)cc2)c(=O)c2cc(C)ccc21 ZINC000408713251 556129846 /nfs/dbraw/zinc/12/98/46/556129846.db2.gz PSUQLMMDPRLGHU-UHFFFAOYSA-N 0 0 432.261 4.187 40 0 IIABRN COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000008782373 556214965 /nfs/dbraw/zinc/21/49/65/556214965.db2.gz KUYMDQGXABFPOQ-SFHVURJKSA-N 0 0 443.503 4.248 40 0 IIABRN CCOC(=O)C(Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(=O)OCC ZINC000408750997 556228321 /nfs/dbraw/zinc/22/83/21/556228321.db2.gz VELNMGHYJBPELR-UHFFFAOYSA-N 0 0 444.534 4.136 40 0 IIABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009069217 556245183 /nfs/dbraw/zinc/24/51/83/556245183.db2.gz ACQUYDXVZFQOTE-MRXNPFEDSA-N 0 0 433.744 4.439 40 0 IIABRN O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000009265261 556270794 /nfs/dbraw/zinc/27/07/94/556270794.db2.gz SXFVBSQHKPLCOU-OAHLLOKOSA-N 0 0 428.330 4.041 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711559 556284192 /nfs/dbraw/zinc/28/41/92/556284192.db2.gz ODSQEFKZIJFVKA-INIZCTEOSA-N 0 0 445.766 4.286 40 0 IIABRN CC[C@@H](C(=O)NCCSC1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712417 556285067 /nfs/dbraw/zinc/28/50/67/556285067.db2.gz GLDCCMDTOVQSRU-SFHVURJKSA-N 0 0 433.039 4.067 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715478 556286998 /nfs/dbraw/zinc/28/69/98/556286998.db2.gz PHMAJSVJDSNWTF-KRWDZBQOSA-N 0 0 443.338 4.080 40 0 IIABRN COCc1nn2c(nnc3c2C[C@H](c2ccccc2O)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156928 556327284 /nfs/dbraw/zinc/32/72/84/556327284.db2.gz ZHBFNCIDAXOURW-AWEZNQCLSA-N 0 0 434.883 4.209 40 0 IIABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1 ZINC000010324845 556330901 /nfs/dbraw/zinc/33/09/01/556330901.db2.gz WPVSBOHDNYMJMQ-QGZVFWFLSA-N 0 0 426.513 4.283 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(Cl)cc2)cc1 ZINC000010449096 556334865 /nfs/dbraw/zinc/33/48/65/556334865.db2.gz MSAFRVRUSIJMAF-UHFFFAOYSA-N 0 0 440.952 4.433 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(C)c(Cl)c2)cc1 ZINC000010541300 556336627 /nfs/dbraw/zinc/33/66/27/556336627.db2.gz BJAFYZXICYVFHG-QGZVFWFLSA-N 0 0 434.989 4.411 40 0 IIABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014022562 556357086 /nfs/dbraw/zinc/35/70/86/556357086.db2.gz VPEIVNQSENRQQB-QFIPXVFZSA-N 0 0 430.570 4.356 40 0 IIABRN Cc1nccn1Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)cc1 ZINC000012088039 556400905 /nfs/dbraw/zinc/40/09/05/556400905.db2.gz YTUGZVYHFGGCNQ-JOCHJYFZSA-N 0 0 425.536 4.390 40 0 IIABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)/C=C/c3ccco3)o2)cc1 ZINC000039767810 556437078 /nfs/dbraw/zinc/43/70/78/556437078.db2.gz FTCDNHNHLSJIEV-OUKQBFOZSA-N 0 0 430.420 4.242 40 0 IIABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCCCC2)cc1 ZINC000039755273 556438999 /nfs/dbraw/zinc/43/89/99/556438999.db2.gz XKYDZLWLEMYLMS-UHFFFAOYSA-N 0 0 436.581 4.361 40 0 IIABRN O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000039757788 556441674 /nfs/dbraw/zinc/44/16/74/556441674.db2.gz OYYTUNLFZRXCAJ-UHFFFAOYSA-N 0 0 433.930 4.179 40 0 IIABRN CCc1ccc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)c(Br)c1 ZINC000028188865 556444562 /nfs/dbraw/zinc/44/45/62/556444562.db2.gz UOWYSMUBFGIHRV-UHFFFAOYSA-N 0 0 436.331 4.160 40 0 IIABRN O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015011545 556483484 /nfs/dbraw/zinc/48/34/84/556483484.db2.gz GAYDAKGNUIZHQQ-UHFFFAOYSA-N 0 0 449.306 4.311 40 0 IIABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2cccc(Cl)c2)c(Cl)c1 ZINC000030754259 556504172 /nfs/dbraw/zinc/50/41/72/556504172.db2.gz CYKHZQUWNOIWTM-UHFFFAOYSA-N 0 0 433.382 4.028 40 0 IIABRN Cc1nn(C)cc1C[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 ZINC000036614316 556510851 /nfs/dbraw/zinc/51/08/51/556510851.db2.gz ORXFSOHGLDJYOD-MRXNPFEDSA-N 0 0 442.567 4.068 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c(C)c1 ZINC000030865884 556512261 /nfs/dbraw/zinc/51/22/61/556512261.db2.gz RCNPHSASMUXAJQ-JTHBVZDNSA-N 0 0 442.625 4.155 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030869811 556513181 /nfs/dbraw/zinc/51/31/81/556513181.db2.gz RMBQQLNXQXMDGK-ZIAGYGMSSA-N 0 0 429.369 4.334 40 0 IIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000030869890 556513461 /nfs/dbraw/zinc/51/34/61/556513461.db2.gz QCWBVVBSSNYIOP-IBGZPJMESA-N 0 0 430.570 4.192 40 0 IIABRN Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)n1 ZINC000036616206 556516217 /nfs/dbraw/zinc/51/62/17/556516217.db2.gz DTZLIZNFJDUDEA-INIZCTEOSA-N 0 0 428.540 4.238 40 0 IIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)cc1 ZINC000015383479 556523967 /nfs/dbraw/zinc/52/39/67/556523967.db2.gz JENQIDSXGVBOFK-UHFFFAOYSA-N 0 0 426.513 4.231 40 0 IIABRN Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000015398122 556524234 /nfs/dbraw/zinc/52/42/34/556524234.db2.gz ATCVEFXHGURPCR-GOSISDBHSA-N 0 0 426.513 4.207 40 0 IIABRN COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000031861697 556527559 /nfs/dbraw/zinc/52/75/59/556527559.db2.gz VBMAFJMJCVORJE-QQFWFLOESA-N 0 0 427.497 4.111 40 0 IIABRN COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000015438658 556527956 /nfs/dbraw/zinc/52/79/56/556527956.db2.gz BTZJKCYLOBHSRO-UHFFFAOYSA-N 0 0 446.912 4.167 40 0 IIABRN CCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCCc3ccccc3)c2)cc1 ZINC000013581798 556528034 /nfs/dbraw/zinc/52/80/34/556528034.db2.gz FJYPICQDZZMDLJ-UHFFFAOYSA-N 0 0 438.549 4.031 40 0 IIABRN Cc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1C ZINC000032125434 556534914 /nfs/dbraw/zinc/53/49/14/556534914.db2.gz YEOAZMQBQDVRFD-UHFFFAOYSA-N 0 0 443.547 4.283 40 0 IIABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000032126946 556535735 /nfs/dbraw/zinc/53/57/35/556535735.db2.gz NTOFZEOKTAWEBE-UHFFFAOYSA-N 0 0 430.346 4.006 40 0 IIABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cc5ccccc5o4)c3)nn12 ZINC000032127327 556536399 /nfs/dbraw/zinc/53/63/99/556536399.db2.gz AQWFWMFBQIIZQD-UHFFFAOYSA-N 0 0 448.533 4.343 40 0 IIABRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1OC ZINC000015589375 556536550 /nfs/dbraw/zinc/53/65/50/556536550.db2.gz QVMFQAXGSXQAMF-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Br)cc4)c3)nn12 ZINC000032127897 556536853 /nfs/dbraw/zinc/53/68/53/556536853.db2.gz IWGHHJHGISXPOH-UHFFFAOYSA-N 0 0 428.315 4.484 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640411 556544852 /nfs/dbraw/zinc/54/48/52/556544852.db2.gz IRFGUQPWWKBXDX-IAGOWNOFSA-N 0 0 445.368 4.408 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3Cl)N(c3cccc(Cl)c3)[C@H]2C1 ZINC000032640442 556545113 /nfs/dbraw/zinc/54/51/13/556545113.db2.gz KTXHUOTWMPVSJH-IRXDYDNUSA-N 0 0 445.368 4.408 40 0 IIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640435 556545140 /nfs/dbraw/zinc/54/51/40/556545140.db2.gz SFFYANZULNYHQA-IEBWSBKVSA-N 0 0 438.977 4.371 40 0 IIABRN C[C@H]1CCCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)C1 ZINC000013649488 556545215 /nfs/dbraw/zinc/54/52/15/556545215.db2.gz GZPKDGMZELGFNG-HNNXBMFYSA-N 0 0 441.380 4.447 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032640605 556545467 /nfs/dbraw/zinc/54/54/67/556545467.db2.gz PDSWZYDIZYHWFW-DLBZAZTESA-N 0 0 427.378 4.268 40 0 IIABRN CCOc1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000013669343 556550113 /nfs/dbraw/zinc/55/01/13/556550113.db2.gz BSROIUBQQHIVAO-XMMPIXPASA-N 0 0 436.533 4.383 40 0 IIABRN C[C@H]1CCCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000013669909 556550782 /nfs/dbraw/zinc/55/07/82/556550782.db2.gz NXEROFSJHRPVFJ-HNNXBMFYSA-N 0 0 441.380 4.447 40 0 IIABRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000013677114 556554818 /nfs/dbraw/zinc/55/48/18/556554818.db2.gz NYIKEZLPHKMZME-MRXNPFEDSA-N 0 0 441.380 4.482 40 0 IIABRN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1Cl ZINC000015840360 556556722 /nfs/dbraw/zinc/55/67/22/556556722.db2.gz JBGAUNSHEXDOSU-UHFFFAOYSA-N 0 0 429.325 4.039 40 0 IIABRN COc1cc(C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)ccc1O ZINC000033696392 556566828 /nfs/dbraw/zinc/56/68/28/556566828.db2.gz FVEUWUUSTJDHSA-UHFFFAOYSA-N 0 0 431.529 4.319 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(C)cccc2CC)cc1Cl ZINC000016162304 556586527 /nfs/dbraw/zinc/58/65/27/556586527.db2.gz KWKVOQVURHOHKR-UHFFFAOYSA-N 0 0 438.977 4.259 40 0 IIABRN CC[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000036067589 556592198 /nfs/dbraw/zinc/59/21/98/556592198.db2.gz QUBFRFKTGGTZMW-BJKOFHAPSA-N 0 0 436.577 4.445 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000038756547 556618237 /nfs/dbraw/zinc/61/82/37/556618237.db2.gz NRDMDDBDYAGRAK-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000038756870 556618749 /nfs/dbraw/zinc/61/87/49/556618749.db2.gz INROIKUXYPEMON-LJQANCHMSA-N 0 0 434.989 4.262 40 0 IIABRN COc1ccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000514289359 556625826 /nfs/dbraw/zinc/62/58/26/556625826.db2.gz IVZKIIAUDQXHDQ-WPFOTENUSA-N 0 0 428.598 4.130 40 0 biogenic,in-vitro IIABRN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccc(C)cc3)c3nc4ccccc4n32)cc1 ZINC000039963996 556630669 /nfs/dbraw/zinc/63/06/69/556630669.db2.gz YOLHHFPBUNGQQF-HSZRJFAPSA-N 0 0 440.503 4.470 40 0 IIABRN C[C@@H]1CCCC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000039964064 556631268 /nfs/dbraw/zinc/63/12/68/556631268.db2.gz UUEVYYMIERPHLK-XFQXTVEOSA-N 0 0 446.507 4.260 40 0 IIABRN O=C(C[C@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000039964083 556631399 /nfs/dbraw/zinc/63/13/99/556631399.db2.gz SZAOQTUDMKMHCT-FQEVSTJZSA-N 0 0 446.507 4.404 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000039986124 556632396 /nfs/dbraw/zinc/63/23/96/556632396.db2.gz UVSZCTNLUHMLOF-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000039986121 556632459 /nfs/dbraw/zinc/63/24/59/556632459.db2.gz SSGBZZPVMOXZBJ-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C ZINC000039986241 556632673 /nfs/dbraw/zinc/63/26/73/556632673.db2.gz SQLXPAXYRNWYSH-UHFFFAOYSA-N 0 0 444.475 4.062 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(OC)cc1 ZINC000040372562 556635142 /nfs/dbraw/zinc/63/51/42/556635142.db2.gz TVGUINHPDHMLQJ-UHFFFAOYSA-N 0 0 437.887 4.160 40 0 IIABRN O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)nc2nccc(-c3ccc4c(c3)OCO4)c12 ZINC000040373007 556635474 /nfs/dbraw/zinc/63/54/74/556635474.db2.gz DTVDJPWVYIQFAF-UHFFFAOYSA-N 0 0 440.503 4.173 40 0 IIABRN COc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000101020148 556644968 /nfs/dbraw/zinc/64/49/68/556644968.db2.gz WOETXSICZKRVLL-FSSWDIPSSA-N 0 0 434.879 4.400 40 0 IIABRN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1OC(C)C ZINC000013914443 556662163 /nfs/dbraw/zinc/66/21/63/556662163.db2.gz SQTWPEXWBUUBOS-HXUWFJFHSA-N 0 0 429.517 4.053 40 0 IIABRN Cc1ccc(C)c(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000044886250 556675781 /nfs/dbraw/zinc/67/57/81/556675781.db2.gz WJASOKFHSMVKPP-VWLOTQADSA-N 0 0 436.577 4.284 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1 ZINC000044901396 556678012 /nfs/dbraw/zinc/67/80/12/556678012.db2.gz HXMZGWSDFLLMNM-GOSISDBHSA-N 0 0 449.016 4.376 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000044905937 556679855 /nfs/dbraw/zinc/67/98/55/556679855.db2.gz URNGEZGOJJAXOF-VGSWGCGISA-N 0 0 444.597 4.005 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000018013772 556681503 /nfs/dbraw/zinc/68/15/03/556681503.db2.gz JBTAXBRHTTYZIC-QGZVFWFLSA-N 0 0 434.989 4.235 40 0 IIABRN COCCCOc1cc(C[C@@H](C[C@@H](CO)NC(=O)OC(C)(C)C)C(C)C)ccc1OC ZINC000045329674 556686360 /nfs/dbraw/zinc/68/63/60/556686360.db2.gz UADKVPSGPVRNOP-PMACEKPBSA-N 0 0 439.593 4.201 40 0 IIABRN CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@@H]4CCCCO4)C3)cc2N1 ZINC000019082334 556697411 /nfs/dbraw/zinc/69/74/11/556697411.db2.gz LSIAOMLXSQPCSA-FZCLSBEQSA-N 0 0 442.526 4.492 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)cc2n1 ZINC000019116701 556700036 /nfs/dbraw/zinc/70/00/36/556700036.db2.gz MSXVABKGDTVQMI-HNNXBMFYSA-N 0 0 434.466 4.445 40 0 IIABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](Sc4[nH]c(=O)sc4[C@H]3C=Cc3ccccc3)C2=O)cc1 ZINC000013617290 556704091 /nfs/dbraw/zinc/70/40/91/556704091.db2.gz KIJOSTTWYVGZCQ-LOAMUNAXSA-N 0 0 434.542 4.206 40 0 IIABRN O=C(NCC[C@@H]1CCCCN1C(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 ZINC000257334362 556706352 /nfs/dbraw/zinc/70/63/52/556706352.db2.gz YFOKRISHMFDGPF-QFIPXVFZSA-N 0 0 429.524 4.035 40 0 IIABRN Cc1ccc(C2(C(=O)N[C@H](c3cc(=O)n4nc(-c5cccnc5)cc4[nH]3)C(C)C)CC2)cc1 ZINC000019136856 556706442 /nfs/dbraw/zinc/70/64/42/556706442.db2.gz CHCADIBJONNJNN-DEOSSOPVSA-N 0 0 441.535 4.350 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230818 556708966 /nfs/dbraw/zinc/70/89/66/556708966.db2.gz GEBMKIORUWCPAU-QPPBQGQZSA-N 0 0 446.494 4.067 40 0 IIABRN 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UDAXOTMAEOMWJS-IBGZPJMESA-N 0 0 431.462 5.038 40 0 IIABRN O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc2ccccc21 ZINC000032126952 569583526 /nfs/dbraw/zinc/58/35/26/569583526.db2.gz FZOMQFOQXQHUFY-UHFFFAOYSA-N 0 0 448.573 4.413 40 0 IIABRN CC1=C[C@@H](CNC(=O)NCc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 ZINC000030881236 291380358 /nfs/dbraw/zinc/38/03/58/291380358.db2.gz BXSOJUOGRXVQMH-SDHOMARFSA-N 0 0 448.611 4.442 40 0 biogenic,in-vitro IIABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccc(Cl)cc4)c23)cc1 ZINC000004237380 291383236 /nfs/dbraw/zinc/38/32/36/291383236.db2.gz BYZBXFALJZRDOG-QFBILLFUSA-N 0 0 434.923 4.437 40 0 biogenic,in-vitro IIABRN COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(Cc2ccccc2OC)C3)cc1 ZINC000096111879 291383433 /nfs/dbraw/zinc/38/34/33/291383433.db2.gz XLXQCLZJCGUJHH-UPVQGACJSA-N 0 0 444.531 4.273 40 0 biogenic,in-vitro IIABRN OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(Cc2ccc(F)cc2)CC1 ZINC000225473663 291386209 /nfs/dbraw/zinc/38/62/09/291386209.db2.gz 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ZINC000022400068 525009067 /nfs/dbraw/zinc/00/90/67/525009067.db2.gz INYKOCJBFNJQGB-UHFFFAOYSA-N 0 0 444.597 4.428 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2)cc1C ZINC000022393572 525011386 /nfs/dbraw/zinc/01/13/86/525011386.db2.gz RBHVMXGBDDTIFJ-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN Cc1cc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C(C)(C)C)CC4)no1 ZINC000035315978 525155886 /nfs/dbraw/zinc/15/58/86/525155886.db2.gz ZANDRCYAVKKTAK-NSHDSACASA-N 0 0 432.571 4.163 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NC2CCCCCC2)cc1 ZINC000022232468 525156428 /nfs/dbraw/zinc/15/64/28/525156428.db2.gz RIKNZDUYDCIZIU-UHFFFAOYSA-N 0 0 448.560 4.010 40 0 IIABRN Cc1cc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C(C)(C)C)CC4)no1 ZINC000035315976 525156946 /nfs/dbraw/zinc/15/69/46/525156946.db2.gz ZANDRCYAVKKTAK-LLVKDONJSA-N 0 0 432.571 4.163 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000020490310 525156815 /nfs/dbraw/zinc/15/68/15/525156815.db2.gz XXOUDWXFOXABCO-UHFFFAOYSA-N 0 0 446.931 4.375 40 0 IIABRN C[C@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000020489704 525216285 /nfs/dbraw/zinc/21/62/85/525216285.db2.gz ZHJNJALYOOCIOV-KRWDZBQOSA-N 0 0 426.513 4.283 40 0 IIABRN C[C@@H](NC(=O)c1ccc2c(=O)[nH]c3c(-c4cccc(F)c4)nnn3c2c1)c1ccc(F)cc1 ZINC000021867665 525333037 /nfs/dbraw/zinc/33/30/37/525333037.db2.gz UIMGLNWCZHDFDN-CYBMUJFWSA-N 0 0 445.429 4.419 40 0 IIABRN C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000020449380 525335321 /nfs/dbraw/zinc/33/53/21/525335321.db2.gz CQPDDXWQOFKHPE-IAGOWNOFSA-N 0 0 438.524 4.457 40 0 IIABRN C[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000223178305 525351428 /nfs/dbraw/zinc/35/14/28/525351428.db2.gz KQHARJAEGWUJRX-GOSISDBHSA-N 0 0 434.561 4.491 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2cccc(Cl)c2)cc1 ZINC000022430849 525504483 /nfs/dbraw/zinc/50/44/83/525504483.db2.gz TXAGLOZJGHUBHZ-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN C[C@@H]1Cc2cc(C(=O)Nc3ccc(F)cc3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449491 525520830 /nfs/dbraw/zinc/52/08/30/525520830.db2.gz YYDMMBDRXQITSO-CQSZACIVSA-N 0 0 428.460 4.357 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1 ZINC000022539860 525536102 /nfs/dbraw/zinc/53/61/02/525536102.db2.gz VSGIOVLOUQPQBM-SFTDATJTSA-N 0 0 428.598 4.198 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000020459134 525601607 /nfs/dbraw/zinc/60/16/07/525601607.db2.gz MGOKOKSCPDHONZ-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)Oc3ccccc3F)C1)N2 ZINC000019127354 525663700 /nfs/dbraw/zinc/66/37/00/525663700.db2.gz YXRDPMBEVCFVNQ-XYVMCAHJSA-N 0 0 436.478 4.027 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2cccc(F)c2)cc1 ZINC000035291132 525676813 /nfs/dbraw/zinc/67/68/13/525676813.db2.gz VOVGFDWGHGYMID-IBGZPJMESA-N 0 0 426.517 4.288 40 0 IIABRN 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432.450 4.117 40 0 IIABRN O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1cccc(OC(F)(F)F)c1 ZINC000022608886 527470087 /nfs/dbraw/zinc/47/00/87/527470087.db2.gz HSGLRXUQLRYBAP-UHFFFAOYSA-N 0 0 438.409 4.242 40 0 IIABRN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869754 527509821 /nfs/dbraw/zinc/50/98/21/527509821.db2.gz QGLQLFIKSBIWJV-FQEVSTJZSA-N 0 0 442.491 4.263 40 0 IIABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)cc2c1 ZINC000009636288 555585397 /nfs/dbraw/zinc/58/53/97/555585397.db2.gz AEKWWEOPUUOUBB-QHCPKHFHSA-N 0 0 426.524 4.090 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2c(Cl)cccc2Cl)cc1 ZINC000001100101 555628710 /nfs/dbraw/zinc/62/87/10/555628710.db2.gz QLTWVFOPBUJSPJ-UHFFFAOYSA-N 0 0 441.380 4.115 40 0 IIABRN Cc1cccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cccs3)c(=O)[nH]c12 ZINC000001346781 555691490 /nfs/dbraw/zinc/69/14/90/555691490.db2.gz PHKGSGPBEUDNPO-UHFFFAOYSA-N 0 0 432.501 4.469 40 0 IIABRN Cc1ccc2c(c1)cc(CN(Cc1cccs1)S(=O)(=O)c1ccccc1)c1nnnn12 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IIABRN Cc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010362941 556333377 /nfs/dbraw/zinc/33/33/77/556333377.db2.gz RFVKAABBXKLFLY-UHFFFAOYSA-N 0 0 426.513 4.030 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccccc2Cl)cc1 ZINC000010449090 556334860 /nfs/dbraw/zinc/33/48/60/556334860.db2.gz BMYUDXRROXSTLD-UHFFFAOYSA-N 0 0 440.952 4.433 40 0 IIABRN Cc1ccc(C)c(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccccc2)c1 ZINC000010449680 556335238 /nfs/dbraw/zinc/33/52/38/556335238.db2.gz JEFDBFLMSYFNDR-FQEVSTJZSA-N 0 0 434.561 4.477 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2cccc(C)c2)cc1 ZINC000010449724 556335325 /nfs/dbraw/zinc/33/53/25/556335325.db2.gz WDHVMELOJMVTPF-FQEVSTJZSA-N 0 0 434.561 4.477 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(C)c2)c2ccccc2)cc1 ZINC000014186438 556386386 /nfs/dbraw/zinc/38/63/86/556386386.db2.gz UJSUONZJABNADM-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)C[C@@H]2C=CCC2)n1 ZINC000012089224 556401748 /nfs/dbraw/zinc/40/17/48/556401748.db2.gz ZTVRGUORBMADPD-HXUWFJFHSA-N 0 0 427.552 4.490 40 0 IIABRN COc1ccccc1C1(O)CCN(c2c(C)c(C)nc3cc(-c4ccoc4C)nn32)CC1 ZINC000012154576 556402307 /nfs/dbraw/zinc/40/23/07/556402307.db2.gz VSXSTYFUCHYCHX-UHFFFAOYSA-N 0 0 432.524 4.411 40 0 IIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000028189513 556444893 /nfs/dbraw/zinc/44/48/93/556444893.db2.gz XNMNUERGLSUPGZ-GFCCVEGCSA-N 0 0 436.331 4.377 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000030849646 556508455 /nfs/dbraw/zinc/50/84/55/556508455.db2.gz NKKGLRBHZUQZIY-ZDUSSCGKSA-N 0 0 445.368 4.036 40 0 IIABRN Cc1cccc(N(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 ZINC000030857506 556510503 /nfs/dbraw/zinc/51/05/03/556510503.db2.gz DEGJKGDUQYLGOX-UHFFFAOYSA-N 0 0 426.513 4.030 40 0 IIABRN CC(C)Oc1ccc(CNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000030861113 556511064 /nfs/dbraw/zinc/51/10/64/556511064.db2.gz GHWRVGWQTSCNBO-UHFFFAOYSA-N 0 0 438.549 4.232 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COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(NC(C)=O)cc2o1 ZINC000032126813 556535776 /nfs/dbraw/zinc/53/57/76/556535776.db2.gz BMZYOBIAFPQUIQ-FPYGCLRLSA-N 0 0 430.258 4.209 40 0 IIABRN COc1cc2c(cc1OC)n(Cc1ccccc1C)c(=O)n(-c1ccc(Cl)cc1)c2=O ZINC000013634638 556540633 /nfs/dbraw/zinc/54/06/33/556540633.db2.gz KFJDIDORBXEMRP-UHFFFAOYSA-N 0 0 436.895 4.180 40 0 IIABRN CCOc1cccc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)c1 ZINC000013645917 556543674 /nfs/dbraw/zinc/54/36/74/556543674.db2.gz HYMZLTLAXDRYKB-UHFFFAOYSA-N 0 0 442.512 4.443 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(F)c3)N(c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000032639894 556544069 /nfs/dbraw/zinc/54/40/69/556544069.db2.gz HMXOJTDESCQUTK-IRXDYDNUSA-N 0 0 445.368 4.408 40 0 IIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640401 556544826 /nfs/dbraw/zinc/54/48/26/556544826.db2.gz LPZWDFXLGXHJRP-RBUKOAKNSA-N 0 0 438.977 4.371 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640412 556544843 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0 441.524 4.414 40 0 IIABRN O=C(NCc1ccc(F)cc1)NC[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(F)cc2)C1 ZINC000016401512 556606105 /nfs/dbraw/zinc/60/61/05/556606105.db2.gz DEXVBUCBEIODCE-BGYRXZFFSA-N 0 0 444.526 4.070 40 0 IIABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 ZINC000072396766 556609728 /nfs/dbraw/zinc/60/97/28/556609728.db2.gz AHKFVQLFEINURJ-RZUBCFFCSA-N 0 0 446.595 4.354 40 0 IIABRN CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000016575908 556615831 /nfs/dbraw/zinc/61/58/31/556615831.db2.gz MKEMNIFQKVMACX-UHFFFAOYSA-N 0 0 430.570 4.439 40 0 IIABRN COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(OC)c1 ZINC000038752759 556616264 /nfs/dbraw/zinc/61/62/64/556616264.db2.gz KHQXXCMEHCOOIE-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN CC(C)C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000038755745 556617806 /nfs/dbraw/zinc/61/78/06/556617806.db2.gz AJNWZBVEFULOQO-LJQANCHMSA-N 0 0 442.503 4.375 40 0 IIABRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C)cc1 ZINC000038756709 556618329 /nfs/dbraw/zinc/61/83/29/556618329.db2.gz KTICDBUURDPDHU-DNQXCXABSA-N 0 0 442.625 4.237 40 0 IIABRN CC(C)Oc1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000038757177 556618655 /nfs/dbraw/zinc/61/86/55/556618655.db2.gz QPDSLASAGJJTBG-UHFFFAOYSA-N 0 0 438.549 4.229 40 0 IIABRN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000016682561 556624603 /nfs/dbraw/zinc/62/46/03/556624603.db2.gz UEYGZJIVCBODBG-OAHLLOKOSA-N 0 0 431.366 4.070 40 0 IIABRN COc1ccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]2c2cccs2)cc1 ZINC000514290041 556626073 /nfs/dbraw/zinc/62/60/73/556626073.db2.gz VWKWCVVECNVORZ-WPFOTENUSA-N 0 0 430.614 4.376 40 0 biogenic,in-vitro IIABRN COCc1nn2c(nnc(C(=O)Nc3ccccc3OC)c2C)c1-c1ccc(Cl)cc1 ZINC000039963906 556630763 /nfs/dbraw/zinc/63/07/63/556630763.db2.gz DMJJGBRWWAAPRV-UHFFFAOYSA-N 0 0 437.887 4.160 40 0 IIABRN CCOc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl 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Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c(C)c1 ZINC000044935093 556682575 /nfs/dbraw/zinc/68/25/75/556682575.db2.gz UVYGJQKHXWSGJQ-VGOFRKELSA-N 0 0 444.597 4.005 40 0 IIABRN CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)cc1 ZINC000000786221 556694772 /nfs/dbraw/zinc/69/47/72/556694772.db2.gz WXQYVXSJXHVRNH-UHFFFAOYSA-N 0 0 446.532 4.481 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000796904 556695888 /nfs/dbraw/zinc/69/58/88/556695888.db2.gz QBXUCWDGYAGERT-CQSZACIVSA-N 0 0 427.353 4.341 40 0 IIABRN CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1 ZINC000000797068 556695891 /nfs/dbraw/zinc/69/58/91/556695891.db2.gz ULFYRCLWQDOMKX-UHFFFAOYSA-N 0 0 432.528 4.060 40 0 IIABRN CC(=O)Nc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000000800306 556696353 /nfs/dbraw/zinc/69/63/53/556696353.db2.gz BVTFCWSDXTUFBT-ZOGILVBSSA-N 0 0 431.536 4.283 40 0 IIABRN CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4)n3C)sc2c1 ZINC000000812976 556698715 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IIABRN COc1cccc(-c2cccc(CC3(C(=O)NCCCCn4ccnc4)CCOCC3)c2)c1 ZINC000257217083 556703120 /nfs/dbraw/zinc/70/31/20/556703120.db2.gz CXJBZQQRZPCULA-UHFFFAOYSA-N 0 0 447.579 4.495 40 0 IIABRN COc1ccc([C@@H]2CN(Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1 ZINC000257225420 556708306 /nfs/dbraw/zinc/70/83/06/556708306.db2.gz FGCWHJOXAQQQIE-VWLOTQADSA-N 0 0 431.536 4.075 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000019209210 556708285 /nfs/dbraw/zinc/70/82/85/556708285.db2.gz VRDCZMIPGKHJSC-SANMLTNESA-N 0 0 432.589 4.473 40 0 IIABRN COc1cccc(CCC(=O)N2CC[C@@H](c3cc(-c4ccc(C)cc4)nc(N(C)C)n3)C2)c1 ZINC000019212164 556709698 /nfs/dbraw/zinc/70/96/98/556709698.db2.gz CKNFOCYHTNBUGP-JOCHJYFZSA-N 0 0 444.579 4.475 40 0 IIABRN COc1ccccc1CC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccc(C)cc2)C1 ZINC000019212873 556710548 /nfs/dbraw/zinc/71/05/48/556710548.db2.gz IUKHKFBRKPOMQI-XMMPIXPASA-N 0 0 442.559 4.030 40 0 IIABRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1C 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ZINC000000883226 556733773 /nfs/dbraw/zinc/73/37/73/556733773.db2.gz YSQWDFPWLSTEHL-UHFFFAOYSA-N 0 0 437.521 4.190 40 0 IIABRN COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccc2OC)cc1 ZINC000000892246 556739882 /nfs/dbraw/zinc/73/98/82/556739882.db2.gz TXNKCXXTAAONAA-UHFFFAOYSA-N 0 0 438.553 4.056 40 0 IIABRN Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc43)c(=O)[nH]c2c1 ZINC000000892582 556740194 /nfs/dbraw/zinc/74/01/94/556740194.db2.gz NPYJASATBCWUGL-XMMPIXPASA-N 0 0 440.551 4.480 40 0 IIABRN Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)c(=O)[nH]c2cc1C ZINC000000893764 556740425 /nfs/dbraw/zinc/74/04/25/556740425.db2.gz FISYIVBERQUVHK-DEOSSOPVSA-N 0 0 440.551 4.399 40 0 IIABRN CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013804569 556743014 /nfs/dbraw/zinc/74/30/14/556743014.db2.gz HQSPYXVGXOZEBV-VABKMULXSA-N 0 0 432.451 4.276 40 0 IIABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(F)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013803665 556743163 /nfs/dbraw/zinc/74/31/63/556743163.db2.gz GLVBQKOMRGPEFT-VJBWXMMDSA-N 0 0 432.451 4.276 40 0 IIABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000000908258 556744796 /nfs/dbraw/zinc/74/47/96/556744796.db2.gz CUVLYJKIYGYHPI-UHFFFAOYSA-N 0 0 449.005 4.381 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCc2ccccc21 ZINC000000910129 556745076 /nfs/dbraw/zinc/74/50/76/556745076.db2.gz UPPRYIXZUOWHAU-HSZRJFAPSA-N 0 0 442.567 4.429 40 0 IIABRN Cc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1 ZINC000000913788 556745530 /nfs/dbraw/zinc/74/55/30/556745530.db2.gz NCFSGDRRBJQRHY-UHFFFAOYSA-N 0 0 442.537 4.428 40 0 IIABRN COc1ccccc1CCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000918704 556748188 /nfs/dbraw/zinc/74/81/88/556748188.db2.gz DDQBYRZWTOOISW-KBXCAEBGSA-N 0 0 434.418 4.118 40 0 IIABRN Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000923252 556751338 /nfs/dbraw/zinc/75/13/38/556751338.db2.gz NMVHYJRAOUPSPW-UHFFFAOYSA-N 0 0 436.533 4.437 40 0 IIABRN O=C(c1cccs1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(C(=O)c3ccccn3)CC[C@@H]21 ZINC000019400226 556752764 /nfs/dbraw/zinc/75/27/64/556752764.db2.gz KDPJFJOBZHDDHZ-ZJOUEHCJSA-N 0 0 435.524 4.053 40 0 IIABRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 ZINC000019403290 556754152 /nfs/dbraw/zinc/75/41/52/556754152.db2.gz HAKISGQPORDXEZ-GFCCVEGCSA-N 0 0 439.324 4.007 40 0 IIABRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 ZINC000019403292 556754155 /nfs/dbraw/zinc/75/41/55/556754155.db2.gz HAKISGQPORDXEZ-LBPRGKRZSA-N 0 0 439.324 4.007 40 0 IIABRN C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccccc5F)nnc4c23)C1 ZINC000000929602 556755510 /nfs/dbraw/zinc/75/55/10/556755510.db2.gz OYUBQQGQSVCNIM-LLVKDONJSA-N 0 0 427.530 4.334 40 0 IIABRN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000095483640 556757388 /nfs/dbraw/zinc/75/73/88/556757388.db2.gz NCHDXFHHGQEGQN-SGNDLWITSA-N 0 0 444.487 4.063 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 ZINC000019448845 556758539 /nfs/dbraw/zinc/75/85/39/556758539.db2.gz KEWUYQZRLZIJQR-MHZLTWQESA-N 0 0 442.563 4.133 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000019449151 556759384 /nfs/dbraw/zinc/75/93/84/556759384.db2.gz DFJPKWSTRJQBOE-RPLLCQBOSA-N 0 0 434.580 4.209 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccnc2)C1 ZINC000019449284 556759631 /nfs/dbraw/zinc/75/96/31/556759631.db2.gz CABSBPWJJWMTQM-SANMLTNESA-N 0 0 447.604 4.339 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccn2)C1 ZINC000019449424 556759958 /nfs/dbraw/zinc/75/99/58/556759958.db2.gz SVTJFGSWIYNXEG-HHHXNRCGSA-N 0 0 427.548 4.348 40 0 IIABRN CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1 ZINC000019450284 556761304 /nfs/dbraw/zinc/76/13/04/556761304.db2.gz RVNMPPTVMRMISQ-UHFFFAOYSA-N 0 0 432.528 4.244 40 0 IIABRN CC(C)c1nc(C[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2)cc(=O)[nH]1 ZINC000019453542 556763905 /nfs/dbraw/zinc/76/39/05/556763905.db2.gz LZWNNWKACUBCEK-HSZRJFAPSA-N 0 0 445.563 4.042 40 0 IIABRN C[C@H](CNC(=O)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1)c1ccccc1 ZINC000019456475 556765969 /nfs/dbraw/zinc/76/59/69/556765969.db2.gz MNQRRDYAASAHMU-QGZVFWFLSA-N 0 0 435.499 4.367 40 0 IIABRN COc1ccccc1NC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000001224129 556769267 /nfs/dbraw/zinc/76/92/67/556769267.db2.gz JJXFPIMNKDKWFA-IBGZPJMESA-N 0 0 437.565 4.223 40 0 IIABRN COc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000001224210 556769540 /nfs/dbraw/zinc/76/95/40/556769540.db2.gz HAJMEGZKQQRNTH-NRFANRHFSA-N 0 0 437.565 4.223 40 0 IIABRN CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cc3c(C)n[nH]c3C)cc2N1 ZINC000019500869 556772425 /nfs/dbraw/zinc/77/24/25/556772425.db2.gz NPUIJQHCXXHPTN-WBAXXEDZSA-N 0 0 438.498 4.217 40 0 IIABRN COc1ccc(CCNC(=S)N2CCC(c3nc4ccccc4o3)CC2)cc1OC ZINC000001327231 556772633 /nfs/dbraw/zinc/77/26/33/556772633.db2.gz 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ZINC000019569792 556809885 /nfs/dbraw/zinc/80/98/85/556809885.db2.gz GFWMEUYVZAIMOQ-AREMUKBSSA-N 0 0 441.575 4.067 40 0 IIABRN CSCC[C@H](NC(=O)c1ccc2c(C)c(C)[nH]c2c1)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019576885 556815120 /nfs/dbraw/zinc/81/51/20/556815120.db2.gz VFDYFIYQHMUUSJ-SFHVURJKSA-N 0 0 447.564 4.154 40 0 IIABRN Cc1nn(C[C@@H](C)C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c(C)c1Cl ZINC000019578177 556815668 /nfs/dbraw/zinc/81/56/68/556815668.db2.gz ANJAWCVMXIPQOJ-XCLFUZPHSA-N 0 0 430.911 4.077 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccccn2)C1 ZINC000019579298 556816906 /nfs/dbraw/zinc/81/69/06/556816906.db2.gz DNZVWYPGIJCDPO-RUZDIDTESA-N 0 0 433.577 4.363 40 0 IIABRN C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 ZINC000004092622 556819769 /nfs/dbraw/zinc/81/97/69/556819769.db2.gz YUNQGJPDGAHFTP-GOSISDBHSA-N 0 0 448.592 4.119 40 0 IIABRN COc1cccc(-c2cccc(C[C@H]3CN(C(=O)[C@@H]4CC45CCC5)CCN(C)C3=O)c2)c1 ZINC000019589518 556824303 /nfs/dbraw/zinc/82/43/03/556824303.db2.gz MQWGHUVEIPSPET-UPVQGACJSA-N 0 0 432.564 4.012 40 0 IIABRN CC(C)N(C(=O)Cn1c2ccccc2nc1SCC(=O)N1CCC(C)CC1)C(C)C ZINC000004859262 556824551 /nfs/dbraw/zinc/82/45/51/556824551.db2.gz TZLKCSOBCDOXHV-UHFFFAOYSA-N 0 0 430.618 4.032 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2ccc(OC)cc2)C1 ZINC000019591477 556826908 /nfs/dbraw/zinc/82/69/08/556826908.db2.gz ODTDCTXFAUNMGC-NDEPHWFRSA-N 0 0 442.559 4.112 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000019591489 556826910 /nfs/dbraw/zinc/82/69/10/556826910.db2.gz LQXGWFMYJINFEE-SANMLTNESA-N 0 0 448.588 4.174 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000019591490 556826947 /nfs/dbraw/zinc/82/69/47/556826947.db2.gz OATKCCXOEOBACU-AREMUKBSSA-N 0 0 448.588 4.174 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccccc2OC)C1 ZINC000019591602 556827216 /nfs/dbraw/zinc/82/72/16/556827216.db2.gz KABJEMREYOPCCH-RUZDIDTESA-N 0 0 434.561 4.245 40 0 IIABRN COCCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000006320777 556832634 /nfs/dbraw/zinc/83/26/34/556832634.db2.gz LPOXIILRGVATOY-UHFFFAOYSA-N 0 0 441.572 4.197 40 0 IIABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(Br)cc3)c2)CC1 ZINC000006461822 556833885 /nfs/dbraw/zinc/83/38/85/556833885.db2.gz DURRWKISOSJWRB-UHFFFAOYSA-N 0 0 438.343 4.089 40 0 IIABRN Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c12 ZINC000006443584 556836440 /nfs/dbraw/zinc/83/64/40/556836440.db2.gz DOJWNXUMHGZUNZ-QFIPXVFZSA-N 0 0 428.540 4.120 40 0 IIABRN CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000006551537 556837226 /nfs/dbraw/zinc/83/72/26/556837226.db2.gz OCPQRJZNIIWJJG-UHFFFAOYSA-N 0 0 425.533 4.121 40 0 IIABRN Cc1nc(C)n(CC(=O)N2CCC(c3cc(Cc4ccccc4Cl)cc(C)n3)CC2)n1 ZINC000019687087 556841969 /nfs/dbraw/zinc/84/19/69/556841969.db2.gz DXBBJVGHMDGKKD-UHFFFAOYSA-N 0 0 437.975 4.249 40 0 IIABRN CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)nc1 ZINC000019688298 556842950 /nfs/dbraw/zinc/84/29/50/556842950.db2.gz RDLUABIJVSPLCA-QHCPKHFHSA-N 0 0 432.568 4.291 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1 ZINC000019689171 556843638 /nfs/dbraw/zinc/84/36/38/556843638.db2.gz IETVITVAYVHPLO-HXUWFJFHSA-N 0 0 432.524 4.287 40 0 IIABRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)NCc1cccs1 ZINC000008673034 556844066 /nfs/dbraw/zinc/84/40/66/556844066.db2.gz BKICEUZODWQYEZ-UHFFFAOYSA-N 0 0 441.969 4.453 40 0 IIABRN Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1 ZINC000008677661 556844215 /nfs/dbraw/zinc/84/42/15/556844215.db2.gz GNJFNNPQQWBYAW-UHFFFAOYSA-N 0 0 426.520 4.128 40 0 IIABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 ZINC000019689467 556844302 /nfs/dbraw/zinc/84/43/02/556844302.db2.gz RGIHGPKFYRPRAC-IBGZPJMESA-N 0 0 436.947 4.052 40 0 IIABRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1 ZINC000008680654 556844503 /nfs/dbraw/zinc/84/45/03/556844503.db2.gz 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556861574 /nfs/dbraw/zinc/86/15/74/556861574.db2.gz LHNZNBYSHAIJFR-FQEVSTJZSA-N 0 0 432.549 4.120 40 0 IIABRN COc1cc2c(cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)CCCC2 ZINC000408851891 556869858 /nfs/dbraw/zinc/86/98/58/556869858.db2.gz BDWNLADUQOLGRE-FQEVSTJZSA-N 0 0 448.972 4.019 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)c2nccc3ccccc32)nc2c1CCC(=O)N2CC(C)C ZINC000019740771 556881793 /nfs/dbraw/zinc/88/17/93/556881793.db2.gz OLGKYHYLGHZSLZ-OAQYLSRUSA-N 0 0 443.551 4.246 40 0 IIABRN CCOCc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)C2)cc1 ZINC000019742169 556885898 /nfs/dbraw/zinc/88/58/98/556885898.db2.gz CTSISQUVULCKJR-HNNXBMFYSA-N 0 0 447.461 4.115 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCCC[C@H]1c1cc(C(F)(F)F)c2c(N)n[nH]c2n1 ZINC000019743394 556887941 /nfs/dbraw/zinc/88/79/41/556887941.db2.gz NFEMYUDBLQAHIZ-HNNXBMFYSA-N 0 0 433.434 4.243 40 0 IIABRN Nc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)ccc12 ZINC000019743352 556887981 /nfs/dbraw/zinc/88/79/81/556887981.db2.gz MICIZJOEZBNPDK-IBGZPJMESA-N 0 0 441.510 4.362 40 0 IIABRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408917903 556889192 /nfs/dbraw/zinc/88/91/92/556889192.db2.gz CNZMGPAFCSSJNW-MHWRWJLKSA-N 0 0 448.294 4.391 40 0 IIABRN Cc1nccn1CCCC(=O)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019743964 556889301 /nfs/dbraw/zinc/88/93/01/556889301.db2.gz GWVLKOLBBBWXOE-DEOSSOPVSA-N 0 0 436.600 4.039 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000019744371 556890443 /nfs/dbraw/zinc/89/04/43/556890443.db2.gz OCPOCZRXIWDNST-FQEVSTJZSA-N 0 0 434.584 4.059 40 0 IIABRN Cc1nc2ccc(C(=O)N3CCC[C@H]3c3nc4c(c(C)n3)CC(=O)N4CC(C)C)cc2s1 ZINC000019744349 556890560 /nfs/dbraw/zinc/89/05/60/556890560.db2.gz POLZLRWCGXPKBS-IBGZPJMESA-N 0 0 449.580 4.226 40 0 IIABRN CCN(CC)C(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408920104 556890758 /nfs/dbraw/zinc/89/07/58/556890758.db2.gz HEHPDDHQSBZMJS-UHFFFAOYSA-N 0 0 429.369 4.053 40 0 IIABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000408921092 556890951 /nfs/dbraw/zinc/89/09/51/556890951.db2.gz CXPHAXGNDKTEDY-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN Cc1ccccc1OCCC(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019744672 556891238 /nfs/dbraw/zinc/89/12/38/556891238.db2.gz JCTIMPPKZDHPLS-UHFFFAOYSA-N 0 0 447.461 4.042 40 0 IIABRN Cc1[nH]c2ccccc2c1C(=O)N1CCC(CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000019748434 556893010 /nfs/dbraw/zinc/89/30/10/556893010.db2.gz ZOIDATORFCWCPB-UHFFFAOYSA-N 0 0 444.579 4.067 40 0 IIABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Br)C2=O)c1 ZINC000408931036 556894512 /nfs/dbraw/zinc/89/45/12/556894512.db2.gz GIDLTJGKIKTGMT-YBEGLDIGSA-N 0 0 431.311 4.433 40 0 IIABRN CCc1ncc(CN2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)cn1 ZINC000019753447 556897192 /nfs/dbraw/zinc/89/71/92/556897192.db2.gz GBNMWWGOUGUOEW-OAQYLSRUSA-N 0 0 446.555 4.126 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)NC4CCCC4)cn3)C2)cc1C ZINC000019754705 556897830 /nfs/dbraw/zinc/89/78/30/556897830.db2.gz FZHLTLADXQSZRM-QFIPXVFZSA-N 0 0 449.595 4.410 40 0 IIABRN COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(c4ccc(Cl)cc4)C3)nc2C)c1 ZINC000019754820 556898157 /nfs/dbraw/zinc/89/81/57/556898157.db2.gz NTGYBRXOKVZVHN-GOSISDBHSA-N 0 0 436.943 4.371 40 0 IIABRN CCCN1C(=O)S/C(=C\c2cc(Br)c(I)o2)C1=O ZINC000408954440 556899102 /nfs/dbraw/zinc/89/91/02/556899102.db2.gz SYRWUANEGWRDEM-YVMONPNESA-N 0 0 442.072 4.093 40 0 IIABRN COc1ccc2oc(C)c(C(=O)N3CCC[C@@H]3c3ncc(C(=O)N4CCCC4)c(C)n3)c2c1 ZINC000019755922 556899188 /nfs/dbraw/zinc/89/91/88/556899188.db2.gz WPZGYKPYSRHSBA-HXUWFJFHSA-N 0 0 448.523 4.062 40 0 IIABRN C[C@H](C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000019756424 556900237 /nfs/dbraw/zinc/90/02/37/556900237.db2.gz VWUVCZSWHFNEGJ-SFHVURJKSA-N 0 0 448.542 4.396 40 0 IIABRN Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)CC3CCCCC3)CC2)n1 ZINC000019758546 556902080 /nfs/dbraw/zinc/90/20/80/556902080.db2.gz WVGMGQNNMVPXFZ-UHFFFAOYSA-N 0 0 436.600 4.102 40 0 IIABRN Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000019758512 556902102 /nfs/dbraw/zinc/90/21/02/556902102.db2.gz QKWWZLFWHSVBQL-UHFFFAOYSA-N 0 0 448.542 4.225 40 0 IIABRN Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761447 556904963 /nfs/dbraw/zinc/90/49/63/556904963.db2.gz VAIBDAJZZWPIPA-HXUWFJFHSA-N 0 0 445.563 4.385 40 0 IIABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 ZINC000408978377 556905640 /nfs/dbraw/zinc/90/56/40/556905640.db2.gz ZBYJLSWIZOGAMK-HNNXBMFYSA-N 0 0 434.455 4.022 40 0 IIABRN COc1cc2c(cc1CN1CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C1)CCC2 ZINC000019762765 556907471 /nfs/dbraw/zinc/90/74/71/556907471.db2.gz ALXRZNSQAQUQFJ-AREMUKBSSA-N 0 0 445.563 4.007 40 0 IIABRN COc1ccc(C2(C(=O)N3CC[C@@H](n4nc(-c5cccs5)ccc4=O)[C@@H](C)C3)CC2)cc1 ZINC000072335388 556908205 /nfs/dbraw/zinc/90/82/05/556908205.db2.gz ICYOTGBOHPVOMT-LAUBAEHRSA-N 0 0 449.576 4.122 40 0 IIABRN C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[C@H]1n1nc(-c2cccs2)ccc1=O ZINC000072335395 556908279 /nfs/dbraw/zinc/90/82/79/556908279.db2.gz USZBYRKIUXDQLS-IIBYNOLFSA-N 0 0 432.549 4.105 40 0 IIABRN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)c4cscn4)CC3)c12 ZINC000072336017 556909088 /nfs/dbraw/zinc/90/90/88/556909088.db2.gz QYCWIJMGBDEELP-UHFFFAOYSA-N 0 0 425.558 4.303 40 0 IIABRN O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(OCc3ccccc3F)cc1)C2 ZINC000072336816 556909329 /nfs/dbraw/zinc/90/93/29/556909329.db2.gz MZFPUOGPALPALM-UHFFFAOYSA-N 0 0 442.494 4.108 40 0 IIABRN CCc1c(C)nc2cc(-c3ccoc3C)nn2c1N1CCC(NC(=O)C2CCCC2)CC1 ZINC000072336865 556909502 /nfs/dbraw/zinc/90/95/02/556909502.db2.gz OEDRJGQBYBBORD-UHFFFAOYSA-N 0 0 435.572 4.444 40 0 IIABRN Cc1nnsc1C(=O)N1CCC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C(C)C)N3)C1 ZINC000072337808 556910772 /nfs/dbraw/zinc/91/07/72/556910772.db2.gz ZIRRDKRCXDCRQX-GZBFAFLISA-N 0 0 442.511 4.006 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCCCC2)cc1 ZINC000408997364 556912636 /nfs/dbraw/zinc/91/26/36/556912636.db2.gz FTSMGSXEQMYGTB-QHCPKHFHSA-N 0 0 428.598 4.114 40 0 IIABRN COc1ccc(OC)c(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1 ZINC000408997362 556912666 /nfs/dbraw/zinc/91/26/66/556912666.db2.gz FSOJFICITDRWBU-QHCPKHFHSA-N 0 0 446.503 4.406 40 0 IIABRN C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)cc2N1 ZINC000072346537 556917965 /nfs/dbraw/zinc/91/79/65/556917965.db2.gz NODGNIUVCOKHQJ-SJCJKPOMSA-N 0 0 436.434 4.119 40 0 IIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O ZINC000409017269 556919441 /nfs/dbraw/zinc/91/94/41/556919441.db2.gz FNTDFAXYWTWPCL-ONDHQXCVSA-N 0 0 429.469 4.393 40 0 IIABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCCC(C)C)nc4nc3C2)cc1OC ZINC000019816589 556919734 /nfs/dbraw/zinc/91/97/34/556919734.db2.gz QRWACIGBMQJZBP-HNNXBMFYSA-N 0 0 426.542 4.192 40 0 IIABRN O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349915 556919935 /nfs/dbraw/zinc/91/99/35/556919935.db2.gz HGWWJDUAVSQSLR-GOSISDBHSA-N 0 0 441.453 4.399 40 0 IIABRN Cn1ccc(C(=O)N2CCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)CC2)n1 ZINC000072349929 556919949 /nfs/dbraw/zinc/91/99/49/556919949.db2.gz CKLYTPQWFDSDQB-UHFFFAOYSA-N 0 0 428.458 4.445 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000019818589 556921272 /nfs/dbraw/zinc/92/12/72/556921272.db2.gz IMLMBTSQNKGCLC-PKTZIBPZSA-N 0 0 425.488 4.352 40 0 IIABRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N([C@H](C)CC)C1=O ZINC000409017034 556921720 /nfs/dbraw/zinc/92/17/20/556921720.db2.gz UYCGQAMYDGGXDS-BTAWCLGRSA-N 0 0 442.331 4.226 40 0 IIABRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000019819057 556921778 /nfs/dbraw/zinc/92/17/78/556921778.db2.gz QUCQDDZJVYLKJA-OAHLLOKOSA-N 0 0 432.398 4.144 40 0 IIABRN CC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000409024002 556922530 /nfs/dbraw/zinc/92/25/30/556922530.db2.gz GRDOBNPIHSOAFP-UHFFFAOYSA-N 0 0 436.533 4.340 40 0 IIABRN O=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccc(OCc4ccc(Cl)cc4)cc3)c12 ZINC000019819830 556923166 /nfs/dbraw/zinc/92/31/66/556923166.db2.gz YRMMWBBCRTXZKE-UHFFFAOYSA-N 0 0 448.910 4.054 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000072352194 556923379 /nfs/dbraw/zinc/92/33/79/556923379.db2.gz BSMNALRKTSUVOC-MRXNPFEDSA-N 0 0 428.579 4.218 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccs1 ZINC000019820505 556923903 /nfs/dbraw/zinc/92/39/03/556923903.db2.gz QIRHYAODIQKHQR-FCHUYYIVSA-N 0 0 445.544 4.456 40 0 IIABRN Cc1ccccc1CNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409028482 556924767 /nfs/dbraw/zinc/92/47/67/556924767.db2.gz NUILHQDPOJJOCZ-IBGZPJMESA-N 0 0 438.549 4.258 40 0 IIABRN CC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000409028459 556924824 /nfs/dbraw/zinc/92/48/24/556924824.db2.gz MXGSAKAQIUENBN-UHFFFAOYSA-N 0 0 442.924 4.377 40 0 IIABRN Cc1cccc(N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000409025182 556925672 /nfs/dbraw/zinc/92/56/72/556925672.db2.gz RFLLJXADSNJOMI-UHFFFAOYSA-N 0 0 446.638 4.372 40 0 IIABRN O=C(CCn1ncc2c1CCCC2)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353152 556925657 /nfs/dbraw/zinc/92/56/57/556925657.db2.gz OEEPKMLJQGVEME-QFIPXVFZSA-N 0 0 434.519 4.188 40 0 IIABRN COc1ccc(NC(=O)CN2CCC[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1 ZINC000072353270 556926249 /nfs/dbraw/zinc/92/62/49/556926249.db2.gz AYKLCDCYAKCJPW-LJQANCHMSA-N 0 0 446.555 4.059 40 0 IIABRN COc1ccccc1Cc1cc(C)nc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 ZINC000072354011 556928661 /nfs/dbraw/zinc/92/86/61/556928661.db2.gz JGKOCYAMRCXXLF-FQEVSTJZSA-N 0 0 430.552 4.221 40 0 IIABRN Cc1cnc2c(C(=O)N3CCC[C@@H](c4cc(Cc5ccccc5F)cc(C)n4)C3)cnn2c1 ZINC000072354172 556929309 /nfs/dbraw/zinc/92/93/09/556929309.db2.gz HEQWKLFBSBJBFE-OAQYLSRUSA-N 0 0 443.526 4.491 40 0 IIABRN CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cc1C(F)(F)F ZINC000072356155 556930769 /nfs/dbraw/zinc/93/07/69/556930769.db2.gz BJJPCTOMCZHCFO-NRFANRHFSA-N 0 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ZINC000019868315 556935079 /nfs/dbraw/zinc/93/50/79/556935079.db2.gz BUNXZCBZGWOBQL-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN CC(C)c1ccc(OCCc2cc([C@H]3CCN(S(=O)(=O)c4ccccc4)C3)[nH]n2)cc1 ZINC000072371280 556937950 /nfs/dbraw/zinc/93/79/50/556937950.db2.gz JGFLPFSVAZABPB-FQEVSTJZSA-N 0 0 439.581 4.333 40 0 IIABRN O=C(CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000072371243 556938093 /nfs/dbraw/zinc/93/80/93/556938093.db2.gz VXAXVTSIHSLIGC-MRXNPFEDSA-N 0 0 442.922 4.252 40 0 IIABRN C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409054741 556938236 /nfs/dbraw/zinc/93/82/36/556938236.db2.gz BGVHJEKVIUPFCW-ZYSBLVPFSA-N 0 0 425.234 4.258 40 0 IIABRN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)o1 ZINC000072371542 556939528 /nfs/dbraw/zinc/93/95/28/556939528.db2.gz RSNJSEAACWHHTC-OAHLLOKOSA-N 0 0 448.445 4.285 40 0 IIABRN COc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc(Br)c1O ZINC000409062725 556940124 /nfs/dbraw/zinc/94/01/24/556940124.db2.gz ZTJCMVBSQXOYMN-DHDCSXOGSA-N 0 0 436.283 4.413 40 0 IIABRN O=C(CC1(O)CCCCC1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371705 556940409 /nfs/dbraw/zinc/94/04/09/556940409.db2.gz YRISSNFTZRYNJP-QGZVFWFLSA-N 0 0 431.964 4.086 40 0 IIABRN Cc1cccn2cc(C(=O)N3CC[C@@H](c4cc(CCOc5cccc(Cl)c5)n[nH]4)C3)nc12 ZINC000072371748 556940801 /nfs/dbraw/zinc/94/08/01/556940801.db2.gz QXDXXFQSTAZDIO-QGZVFWFLSA-N 0 0 449.942 4.270 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)Cc2cccc(C)c2)cc1 ZINC000409066761 556941842 /nfs/dbraw/zinc/94/18/42/556941842.db2.gz WTMCZTQGTLPVEJ-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)n1 ZINC000072372864 556944043 /nfs/dbraw/zinc/94/40/43/556944043.db2.gz YHPSEKWDXGCMQJ-HSZRJFAPSA-N 0 0 444.583 4.322 40 0 IIABRN Cc1c(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)CCC3)cnn1C ZINC000072372890 556944616 /nfs/dbraw/zinc/94/46/16/556944616.db2.gz QGIIVLHATPSUQB-QFIPXVFZSA-N 0 0 436.604 4.137 40 0 IIABRN COc1cc(Br)c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OC ZINC000409082747 556947924 /nfs/dbraw/zinc/94/79/24/556947924.db2.gz SPWTYZCVBDZJFG-DHDCSXOGSA-N 0 0 439.375 4.199 40 0 IIABRN CCN(CC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930125 556947942 /nfs/dbraw/zinc/94/79/42/556947942.db2.gz CCSUMYQCJAMXIP-UHFFFAOYSA-N 0 0 432.929 4.151 40 0 IIABRN CCOc1cccc2[nH]c(C(=O)N3CC[C@H](c4cc(-c5cncnc5)cc(C)n4)C3)cc21 ZINC000072374685 556948462 /nfs/dbraw/zinc/94/84/62/556948462.db2.gz PIPLJDWBIFGKES-KRWDZBQOSA-N 0 0 427.508 4.357 40 0 IIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O ZINC000409092480 556949264 /nfs/dbraw/zinc/94/92/64/556949264.db2.gz YXWXPDJXYHAIIC-XLTHYULKSA-N 0 0 438.480 4.427 40 0 IIABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O ZINC000409092479 556949326 /nfs/dbraw/zinc/94/93/26/556949326.db2.gz YXWXPDJXYHAIIC-HXJASHHUSA-N 0 0 438.480 4.427 40 0 IIABRN CCc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000409094799 556950028 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556960159 /nfs/dbraw/zinc/96/01/59/556960159.db2.gz VAKORCZSZRCVMF-HSZRJFAPSA-N 0 0 426.582 4.204 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2ccc(F)cc2)cc1 ZINC000020012381 556960700 /nfs/dbraw/zinc/96/07/00/556960700.db2.gz GXNPWUMVECXMJQ-UHFFFAOYSA-N 0 0 448.466 4.242 40 0 IIABRN CC(C)N1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C1=O ZINC000409123152 556962185 /nfs/dbraw/zinc/96/21/85/556962185.db2.gz FKLNCHNJMYBGLD-DEFALTHMSA-N 0 0 425.554 4.487 40 0 IIABRN CCc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000409123410 556962422 /nfs/dbraw/zinc/96/24/22/556962422.db2.gz GWGQLFONKSILEJ-UHFFFAOYSA-N 0 0 442.968 4.414 40 0 IIABRN CCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000409115439 556962674 /nfs/dbraw/zinc/96/26/74/556962674.db2.gz JEUOJOAWHCFKDX-UHFFFAOYSA-N 0 0 434.867 4.080 40 0 IIABRN O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000020017023 556962729 /nfs/dbraw/zinc/96/27/29/556962729.db2.gz BINJZBQUYWKHJO-MRXNPFEDSA-N 0 0 448.466 4.297 40 0 IIABRN CCc1sc2nc(SCC(=O)N3CCCC3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409115453 556962904 /nfs/dbraw/zinc/96/29/04/556962904.db2.gz RQMZQPJGIUHVDD-UHFFFAOYSA-N 0 0 427.595 4.341 40 0 IIABRN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC000020025112 556967071 /nfs/dbraw/zinc/96/70/71/556967071.db2.gz GVCVPAVMJPDHOW-OAQYLSRUSA-N 0 0 442.581 4.067 40 0 IIABRN CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)Cc2ccccc2F)C1 ZINC000072396025 556968740 /nfs/dbraw/zinc/96/87/40/556968740.db2.gz GCWBAVOJRXVJOX-AREMUKBSSA-N 0 0 449.526 4.011 40 0 IIABRN COC(=O)[C@H]1C(=O)Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2[C@@H]1c1ccccc1 ZINC000409135483 556969183 /nfs/dbraw/zinc/96/91/83/556969183.db2.gz RKHVWIDGHHVPGV-GOEBONIOSA-N 0 0 440.908 4.088 40 0 IIABRN Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000020034628 556969371 /nfs/dbraw/zinc/96/93/71/556969371.db2.gz CGLNXRAEENWEMX-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl)c1ccc(F)cc1 ZINC000020040947 556971965 /nfs/dbraw/zinc/97/19/65/556971965.db2.gz SRBGMBDACDJVBC-OAHLLOKOSA-N 0 0 438.952 4.391 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020041530 556971973 /nfs/dbraw/zinc/97/19/73/556971973.db2.gz UMSZKFOTQSUNKE-UHFFFAOYSA-N 0 0 436.577 4.466 40 0 IIABRN C[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000020048934 556974434 /nfs/dbraw/zinc/97/44/34/556974434.db2.gz ARYFUCQVCMQPKS-KRWDZBQOSA-N 0 0 426.513 4.283 40 0 IIABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000409144700 556976212 /nfs/dbraw/zinc/97/62/12/556976212.db2.gz PJPSEJKEERFEGQ-GOSISDBHSA-N 0 0 438.549 4.306 40 0 IIABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000409144702 556976233 /nfs/dbraw/zinc/97/62/33/556976233.db2.gz PJPSEJKEERFEGQ-SFHVURJKSA-N 0 0 438.549 4.306 40 0 IIABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ncccc3C)n2C)c1 ZINC000409152086 556978365 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557338691 /nfs/dbraw/zinc/33/86/91/557338691.db2.gz ODCTWIPEPWVOHN-UHFFFAOYSA-N 0 0 445.566 4.099 40 0 IIABRN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc(Cl)c1OC(=O)CC ZINC000013564632 557340699 /nfs/dbraw/zinc/34/06/99/557340699.db2.gz QRCBHMVEJXGTCU-GZTJUZNOSA-N 0 0 429.856 4.407 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000222492840 557343379 /nfs/dbraw/zinc/34/33/79/557343379.db2.gz LFGDUCWNKXVRDT-HTAPYJJXSA-N 0 0 446.975 4.450 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000222492396 557343494 /nfs/dbraw/zinc/34/34/94/557343494.db2.gz ICBGNMOUYUQAPG-XXBNENTESA-N 0 0 426.557 4.105 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSc1ccccc1 ZINC000222493185 557343815 /nfs/dbraw/zinc/34/38/15/557343815.db2.gz KTAKVJGXKLOKFM-HSZRJFAPSA-N 0 0 436.552 4.304 40 0 IIABRN CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222504710 557345581 /nfs/dbraw/zinc/34/55/81/557345581.db2.gz MCHYWNJPUMVBRN-QGZVFWFLSA-N 0 0 430.954 4.384 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 ZINC000222504256 557345609 /nfs/dbraw/zinc/34/56/09/557345609.db2.gz PKMSVRXYBABFFM-FQEVSTJZSA-N 0 0 438.977 4.262 40 0 IIABRN Cc1nnc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(C)cc3C)n2C(C)C)s1 ZINC000013568949 557347423 /nfs/dbraw/zinc/34/74/23/557347423.db2.gz SKKQDHWUGXINCT-AWEZNQCLSA-N 0 0 446.602 4.334 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1C ZINC000222538851 557348580 /nfs/dbraw/zinc/34/85/80/557348580.db2.gz OELUVEUDWWCBMQ-XMMPIXPASA-N 0 0 448.538 4.207 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3ccccc3Cl)c2)cc1 ZINC000222546227 557349319 /nfs/dbraw/zinc/34/93/19/557349319.db2.gz YQBDZGQCPMSYMF-UHFFFAOYSA-N 0 0 428.941 4.404 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)NC3CC3)cc2c1 ZINC000013584324 557349570 /nfs/dbraw/zinc/34/95/70/557349570.db2.gz VZYCNAIIVDKFJY-UHFFFAOYSA-N 0 0 434.970 4.413 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000013585101 557350057 /nfs/dbraw/zinc/35/00/57/557350057.db2.gz KXUVECVBHLLYKE-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000013585103 557350091 /nfs/dbraw/zinc/35/00/91/557350091.db2.gz SLDRNRUXKJNIMK-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 ZINC000222554941 557351046 /nfs/dbraw/zinc/35/10/46/557351046.db2.gz KPNQQCQCULVLNH-JTSKRJEESA-N 0 0 446.975 4.450 40 0 IIABRN c1ccc(CCn2nnnc2[C@@H](c2ccncc2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013561762 557352236 /nfs/dbraw/zinc/35/22/36/557352236.db2.gz JDHKGWFHDJHARU-AREMUKBSSA-N 0 0 438.579 4.355 40 0 IIABRN CN(C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(F)cc1 ZINC000222562058 557352547 /nfs/dbraw/zinc/35/25/47/557352547.db2.gz BREOOBMIYGJYGB-UHFFFAOYSA-N 0 0 426.513 4.043 40 0 IIABRN COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000222594193 557358286 /nfs/dbraw/zinc/35/82/86/557358286.db2.gz GUKRNCWFXNPQQU-SFHVURJKSA-N 0 0 446.613 4.416 40 0 IIABRN COc1cccc(N(CCCC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000222597196 557358948 /nfs/dbraw/zinc/35/89/48/557358948.db2.gz UFTDVRIJEFMRDY-UHFFFAOYSA-N 0 0 446.613 4.114 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222611609 557361558 /nfs/dbraw/zinc/36/15/58/557361558.db2.gz QMKMJALEAPLESY-UHFFFAOYSA-N 0 0 428.913 4.063 40 0 IIABRN CCOc1ccc(N(CCCC(=O)Nc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000222616717 557362275 /nfs/dbraw/zinc/36/22/75/557362275.db2.gz UAYZLALLZWTUSY-UHFFFAOYSA-N 0 0 426.538 4.423 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1C ZINC000222619671 557362956 /nfs/dbraw/zinc/36/29/56/557362956.db2.gz CNXOINAHOASZHD-WIYYLYMNSA-N 0 0 449.016 4.376 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222647307 557368008 /nfs/dbraw/zinc/36/80/08/557368008.db2.gz ILQPLYHTAOEUCC-OAQYLSRUSA-N 0 0 444.547 4.108 40 0 IIABRN Cc1c(Cl)cccc1N(CCCC(=O)NCCSc1ccccc1)S(C)(=O)=O ZINC000222664281 557370436 /nfs/dbraw/zinc/37/04/36/557370436.db2.gz GWVMHOKTNCEMBS-UHFFFAOYSA-N 0 0 441.018 4.103 40 0 IIABRN Cc1cccc(CCCNC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000222668580 557371117 /nfs/dbraw/zinc/37/11/17/557371117.db2.gz PINMTXQNIGPIRE-UHFFFAOYSA-N 0 0 437.005 4.252 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1 ZINC000222675245 557372264 /nfs/dbraw/zinc/37/22/64/557372264.db2.gz FLHCCIOQFAOWFV-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1 ZINC000222684979 557374234 /nfs/dbraw/zinc/37/42/34/557374234.db2.gz YRCDOBAVFKCACJ-AWEZNQCLSA-N 0 0 425.381 4.390 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)c1 ZINC000222692448 557374742 /nfs/dbraw/zinc/37/47/42/557374742.db2.gz PFDQTNRAEYNCCZ-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000113961127 557381829 /nfs/dbraw/zinc/38/18/29/557381829.db2.gz FNAKREWBWUCWNJ-UHFFFAOYSA-N 0 0 436.402 4.169 40 0 IIABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000222743381 557381917 /nfs/dbraw/zinc/38/19/17/557381917.db2.gz ODZJZDDKWYFRLV-OAHLLOKOSA-N 0 0 432.923 4.340 40 0 IIABRN CCOc1cccc(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000113961389 557382307 /nfs/dbraw/zinc/38/23/07/557382307.db2.gz KBDIFQDSRCENFO-UHFFFAOYSA-N 0 0 444.475 4.289 40 0 IIABRN CCOc1ccc(N(Cc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000113963413 557382704 /nfs/dbraw/zinc/38/27/04/557382704.db2.gz XJOMRFWWVTUACC-UHFFFAOYSA-N 0 0 446.613 4.462 40 0 IIABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2ccc(C)cc2)cc1OC ZINC000222759359 557383611 /nfs/dbraw/zinc/38/36/11/557383611.db2.gz PAVJJNUFGAHQMA-UHFFFAOYSA-N 0 0 448.519 4.002 40 0 IIABRN COc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222776195 557385967 /nfs/dbraw/zinc/38/59/67/557385967.db2.gz UXSQHVZXNLSZLS-IBGZPJMESA-N 0 0 440.584 4.277 40 0 IIABRN COc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222784752 557386774 /nfs/dbraw/zinc/38/67/74/557386774.db2.gz YOOOLQQLGBTJQN-INIZCTEOSA-N 0 0 432.948 4.059 40 0 IIABRN COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(OC)c2)cc1 ZINC000072377003 557388982 /nfs/dbraw/zinc/38/89/82/557388982.db2.gz RBGNCNUCXTUKBF-HSZRJFAPSA-N 0 0 446.551 4.429 40 0 IIABRN Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1I ZINC000222816329 557389926 /nfs/dbraw/zinc/38/99/26/557389926.db2.gz KQLDKVJGLVTSQE-HZPDHXFCSA-N 0 0 440.354 4.012 40 0 IIABRN Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1I ZINC000222816377 557389928 /nfs/dbraw/zinc/38/99/28/557389928.db2.gz KQLDKVJGLVTSQE-CVEARBPZSA-N 0 0 440.354 4.012 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222821340 557390387 /nfs/dbraw/zinc/39/03/87/557390387.db2.gz IMYMYYRYHLXFOM-INIZCTEOSA-N 0 0 434.989 4.384 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222836778 557391872 /nfs/dbraw/zinc/39/18/72/557391872.db2.gz ISKWGVOEZVHNME-QFIPXVFZSA-N 0 0 446.975 4.368 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F ZINC000222845488 557393171 /nfs/dbraw/zinc/39/31/71/557393171.db2.gz GKLFDCJWQJZOJJ-JOCHJYFZSA-N 0 0 446.588 4.400 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1c(F)cccc1Cl ZINC000222848894 557393677 /nfs/dbraw/zinc/39/36/77/557393677.db2.gz XHHCAFGXZQVFAB-NRFANRHFSA-N 0 0 434.939 4.362 40 0 IIABRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)c(OC)c1 ZINC000222858190 557394970 /nfs/dbraw/zinc/39/49/70/557394970.db2.gz SJWHSIXWUHMDRL-CQSZACIVSA-N 0 0 445.903 4.142 40 0 IIABRN CC[C@@H](C(=O)NCc1cccc2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222866002 557395842 /nfs/dbraw/zinc/39/58/42/557395842.db2.gz CEIHDIMRJVQRFO-NRFANRHFSA-N 0 0 430.957 4.354 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222898178 557400414 /nfs/dbraw/zinc/40/04/14/557400414.db2.gz MVAZGLWMGUWPLV-NRFANRHFSA-N 0 0 434.939 4.362 40 0 IIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000013995442 557401952 /nfs/dbraw/zinc/40/19/52/557401952.db2.gz BABNQVHHZMFJMH-SPLOXXLWSA-N 0 0 439.537 4.370 40 0 IIABRN COc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000013999560 557403351 /nfs/dbraw/zinc/40/33/51/557403351.db2.gz HYCKXEIYTKLPMR-INIZCTEOSA-N 0 0 434.492 4.456 40 0 IIABRN CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913442 557404968 /nfs/dbraw/zinc/40/49/68/557404968.db2.gz LMRPLLZUGUXFDJ-PSKSRDGVSA-N 0 0 448.600 4.022 40 0 IIABRN Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 ZINC000222940652 557405973 /nfs/dbraw/zinc/40/59/73/557405973.db2.gz UFJZTYNNYXAIOB-OALUTQOASA-N 0 0 428.598 4.214 40 0 IIABRN Cc1ccccc1N(CCCC(=O)NCCCc1cccc2ccccc21)S(C)(=O)=O ZINC000222977119 557410504 /nfs/dbraw/zinc/41/05/04/557410504.db2.gz XPDFZNCLAJDTLL-UHFFFAOYSA-N 0 0 438.593 4.443 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccccc1F)S(C)(=O)=O ZINC000222986757 557412282 /nfs/dbraw/zinc/41/22/82/557412282.db2.gz PATXWHQIBATJBJ-KKSFZXQISA-N 0 0 432.561 4.127 40 0 IIABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000222992350 557413193 /nfs/dbraw/zinc/41/31/93/557413193.db2.gz MFKTXIACSRZPAZ-OAQYLSRUSA-N 0 0 430.548 4.362 40 0 IIABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(C)cc3)C2=O)cc1 ZINC000101168030 557416193 /nfs/dbraw/zinc/41/61/93/557416193.db2.gz AWTVSNZKEXJBJA-SMIHKQSGSA-N 0 0 428.488 4.445 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000223027060 557417290 /nfs/dbraw/zinc/41/72/90/557417290.db2.gz AMZTXUGKIONQHX-IAGOWNOFSA-N 0 0 432.948 4.059 40 0 IIABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(OC)cc1 ZINC000014083095 557418955 /nfs/dbraw/zinc/41/89/55/557418955.db2.gz HXDNPJLSSILPJA-UHFFFAOYSA-N 0 0 432.933 4.366 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223036183 557418975 /nfs/dbraw/zinc/41/89/75/557418975.db2.gz MQDXPKBYBQNQJD-QFIPXVFZSA-N 0 0 428.598 4.216 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223036628 557419135 /nfs/dbraw/zinc/41/91/35/557419135.db2.gz RWEAJMGLRQBHPJ-QHCPKHFHSA-N 0 0 428.598 4.216 40 0 IIABRN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000014024174 557419767 /nfs/dbraw/zinc/41/97/67/557419767.db2.gz RSRKUOWRSKZABY-JOCHJYFZSA-N 0 0 440.521 4.292 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)N[C@@H](C)c4ccc(F)cc4)ccc32)cc1 ZINC000223069873 557425637 /nfs/dbraw/zinc/42/56/37/557425637.db2.gz ZGWHXNFJMNKOOY-KRWDZBQOSA-N 0 0 438.524 4.377 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223077258 557426849 /nfs/dbraw/zinc/42/68/49/557426849.db2.gz HFJAOSKNWAQPDM-IRXDYDNUSA-N 0 0 444.959 4.333 40 0 IIABRN COc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 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IIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 ZINC000223409546 557468296 /nfs/dbraw/zinc/46/82/96/557468296.db2.gz KULULOVUJVUTQK-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223444910 557472790 /nfs/dbraw/zinc/47/27/90/557472790.db2.gz NVCVJTBZOOIWCR-FQEVSTJZSA-N 0 0 442.531 4.209 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cccc(C)c1 ZINC000223450867 557473312 /nfs/dbraw/zinc/47/33/12/557473312.db2.gz BSZZWEJTFRUYJP-VWLOTQADSA-N 0 0 448.538 4.289 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000223459720 557474663 /nfs/dbraw/zinc/47/46/63/557474663.db2.gz HVKMMUNYMFATCE-OAQYLSRUSA-N 0 0 442.625 4.339 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000223466752 557475100 /nfs/dbraw/zinc/47/51/00/557475100.db2.gz AQHYPDQYANSSMB-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000223466690 557475150 /nfs/dbraw/zinc/47/51/50/557475150.db2.gz AQHYPDQYANSSMB-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223471515 557475905 /nfs/dbraw/zinc/47/59/05/557475905.db2.gz WQPATKFSTCLVEG-RPWUZVMVSA-N 0 0 441.560 4.449 40 0 IIABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000017096515 557476624 /nfs/dbraw/zinc/47/66/24/557476624.db2.gz DKZJUCDSTVBEJX-UHFFFAOYSA-N 0 0 429.501 4.231 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000223479658 557477108 /nfs/dbraw/zinc/47/71/08/557477108.db2.gz VPLDAKWPUFVFDL-UHFFFAOYSA-N 0 0 444.940 4.320 40 0 IIABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccccc4)cc3n2)cc1 ZINC000017096617 557477217 /nfs/dbraw/zinc/47/72/17/557477217.db2.gz VFOQBRYFLMREJL-UHFFFAOYSA-N 0 0 429.549 4.347 40 0 IIABRN CCc1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 ZINC000017096847 557477879 /nfs/dbraw/zinc/47/78/79/557477879.db2.gz 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ZINC000257230299 568679134 /nfs/dbraw/zinc/67/91/34/568679134.db2.gz GBPXNPQNMXQSGG-XMMPIXPASA-N 0 0 440.490 4.400 40 0 IIABRN Cc1csc(Nc2cccc([C@H]3CN(Cc4c(C)nc5cc(C)ccn54)CCO3)n2)n1 ZINC000257239420 568683457 /nfs/dbraw/zinc/68/34/57/568683457.db2.gz HPDVMGUMWZRFCA-HXUWFJFHSA-N 0 0 434.569 4.428 40 0 IIABRN COc1cccc(Cc2cncc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5N(C(C)=O)C4)c2)c1 ZINC000257240901 568683942 /nfs/dbraw/zinc/68/39/42/568683942.db2.gz HVQRSDWTGOWUMF-CFJXPYFLSA-N 0 0 447.579 4.075 40 0 IIABRN Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257241529 568684412 /nfs/dbraw/zinc/68/44/12/568684412.db2.gz HYIQIGKKBZCQHR-IBGZPJMESA-N 0 0 432.499 4.469 40 0 IIABRN Cc1cccc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5cnccc5c4)C3)CCOCC2)c1 ZINC000257241876 568684547 /nfs/dbraw/zinc/68/45/47/568684547.db2.gz IAADWPCLOPLLBR-QHCPKHFHSA-N 0 0 444.575 4.309 40 0 IIABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257250855 568689002 /nfs/dbraw/zinc/68/90/02/568689002.db2.gz JOIDJIWECCKBHU-SFHVURJKSA-N 0 0 443.482 4.276 40 0 IIABRN NC(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000257254264 568690424 /nfs/dbraw/zinc/69/04/24/568690424.db2.gz KCJXTRJXZUOEKI-OAQYLSRUSA-N 0 0 439.314 4.309 40 0 IIABRN Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)c1 ZINC000257255479 568691111 /nfs/dbraw/zinc/69/11/11/568691111.db2.gz KHQLOSRRMPPHMH-HXUWFJFHSA-N 0 0 440.507 4.178 40 0 IIABRN Cc1c2ccccc2[nH]c1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257257206 568692063 /nfs/dbraw/zinc/69/20/63/568692063.db2.gz KONSKMWRYSAFNC-DEOSSOPVSA-N 0 0 438.531 4.064 40 0 IIABRN CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2c(F)cccc2F)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257257247 568692082 /nfs/dbraw/zinc/69/20/82/568692082.db2.gz KOTBQVSRYNABNK-ZLAJIECUSA-N 0 0 438.515 4.014 40 0 IIABRN Cc1c2ccccc2[nH]c1C(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257257207 568692210 /nfs/dbraw/zinc/69/22/10/568692210.db2.gz KONSKMWRYSAFNC-XMMPIXPASA-N 0 0 438.531 4.064 40 0 IIABRN O=C(c1cncc(-c2cncnc2)c1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000257258839 568692677 /nfs/dbraw/zinc/69/26/77/568692677.db2.gz KVSZHVZGOGAAPP-SFHVURJKSA-N 0 0 438.491 4.141 40 0 IIABRN CC(=O)Nc1nc([C@@H]2CCCN2Cc2ccc(-c3ccc(C(=O)[O-])c(O)c3)o2)cs1 ZINC000257270170 568697400 /nfs/dbraw/zinc/69/74/00/568697400.db2.gz MTBBRYNPMDLPKY-KRWDZBQOSA-N 0 0 427.482 4.102 40 0 IIABRN Cc1cc(C(=O)N2CCC[C@@H](Cc3ccc4ncccc4c3)C2)nc(N2CCCCC2)n1 ZINC000257273227 568699205 /nfs/dbraw/zinc/69/92/05/568699205.db2.gz NFTHSIXDYGOWKY-NRFANRHFSA-N 0 0 429.568 4.418 40 0 IIABRN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4nc(C)cc4C(F)F)C3)o2)cc1 ZINC000257276370 568700569 /nfs/dbraw/zinc/70/05/69/568700569.db2.gz NTJZAUIZRYNCDW-KRWDZBQOSA-N 0 0 444.482 4.123 40 0 IIABRN CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000257278853 568701741 /nfs/dbraw/zinc/70/17/41/568701741.db2.gz ODXXAYIUIMDLNG-LNWKWYTESA-N 0 0 445.607 4.472 40 0 IIABRN Cc1cnc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4n[nH]c5ccc(C)cc54)CCO3)c2)s1 ZINC000257279292 568701968 /nfs/dbraw/zinc/70/19/68/568701968.db2.gz OFYMBBWASABBNE-FQEVSTJZSA-N 0 0 448.552 4.297 40 0 IIABRN COCc1ccc(C(=O)N2CCC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@H]32)cc1 ZINC000257280106 568702186 /nfs/dbraw/zinc/70/21/86/568702186.db2.gz OJLWIOCLTDBZAZ-PRTQVNTJSA-N 0 0 437.536 4.461 40 0 IIABRN COc1ccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C(C)=O)[C@@H]3Cc2ccccc2)cn1 ZINC000257280923 568702324 /nfs/dbraw/zinc/70/23/24/568702324.db2.gz OMZAENIHJMLPOL-KLWMKENUSA-N 0 0 447.579 4.096 40 0 IIABRN Cc1nonc1CC(=O)N1CCC2(CC1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2 ZINC000257280999 568702407 /nfs/dbraw/zinc/70/24/07/568702407.db2.gz ONGITHVEPDADRD-LAUBAEHRSA-N 0 0 445.947 4.132 40 0 IIABRN Cc1cc(Nc2ccnc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)n2)n[nH]1 ZINC000257280638 568702563 /nfs/dbraw/zinc/70/25/63/568702563.db2.gz OLRGOZZOENIJHG-UHFFFAOYSA-N 0 0 428.899 4.139 40 0 IIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1 ZINC000257281133 568702849 /nfs/dbraw/zinc/70/28/49/568702849.db2.gz ONTSLUAAKCZFKU-NRFANRHFSA-N 0 0 447.539 4.453 40 0 IIABRN Cc1cc(C)cc(C2(C(=O)N3CCC[C@H](Cc4cn5ccnc5cn4)CC3)CCOCC2)c1 ZINC000257282536 568703377 /nfs/dbraw/zinc/70/33/77/568703377.db2.gz OUDRINAWZVKKGK-QFIPXVFZSA-N 0 0 446.595 4.266 40 0 IIABRN COc1c(C)cccc1CN1CCO[C@H](c2cc(CCOc3ccc(F)cc3)n(C)n2)C1 ZINC000257285829 568704797 /nfs/dbraw/zinc/70/47/97/568704797.db2.gz PJBUKSSTHCNYFN-DEOSSOPVSA-N 0 0 439.531 4.071 40 0 IIABRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257286992 568705403 /nfs/dbraw/zinc/70/54/03/568705403.db2.gz PNYPHTOAWRKINY-ZAGABRQDSA-N 0 0 444.572 4.066 40 0 IIABRN O=C(CCc1[nH]nc2c1CCCC2)N1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257288123 568705824 /nfs/dbraw/zinc/70/58/24/568705824.db2.gz PSYDWNZMZGSLSJ-DEOSSOPVSA-N 0 0 434.515 4.022 40 0 IIABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)o1 ZINC000257289263 568706597 /nfs/dbraw/zinc/70/65/97/568706597.db2.gz PXVIGTFKLDNJCB-IBGZPJMESA-N 0 0 430.508 4.250 40 0 IIABRN Cc1cccnc1Nc1cncc([C@H]2CCCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)n1 ZINC000257289972 568706847 /nfs/dbraw/zinc/70/68/47/568706847.db2.gz QAYRMPBVLHELPT-NRFANRHFSA-N 0 0 443.551 4.197 40 0 IIABRN CCn1cc(-c2cc(C(=O)N3CCC[C@H]3c3ncc(Cc4ccc(F)cc4)o3)on2)cn1 ZINC000257289980 568706863 /nfs/dbraw/zinc/70/68/63/568706863.db2.gz QAZULSLJDWMCJH-FQEVSTJZSA-N 0 0 435.459 4.253 40 0 IIABRN CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)nc1 ZINC000257300456 568711441 /nfs/dbraw/zinc/71/14/41/568711441.db2.gz RUHYYXUIFVWIMA-RUZDIDTESA-N 0 0 447.510 4.413 40 0 IIABRN CN(CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1)Cc1ccccn1 ZINC000257301084 568711916 /nfs/dbraw/zinc/71/19/16/568711916.db2.gz RWXVTAHRDUKLGI-LJQANCHMSA-N 0 0 438.959 4.152 40 0 IIABRN CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257303070 568712702 /nfs/dbraw/zinc/71/27/02/568712702.db2.gz SFQZMGKGFIQKTI-IQYNGNEISA-N 0 0 442.600 4.012 40 0 IIABRN Cc1c2cc(F)ccc2oc1C(=O)N1CCNC(=O)[C@H]1Cc1ccc(-c2ccncc2)cc1 ZINC000257303923 568712991 /nfs/dbraw/zinc/71/29/91/568712991.db2.gz SJHXBRHFPQOLEX-JOCHJYFZSA-N 0 0 443.478 4.126 40 0 IIABRN CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)COc4ccc(C)cc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257306505 568714173 /nfs/dbraw/zinc/71/41/73/568714173.db2.gz SUNDDDZPNLMKIJ-NLMMERCGSA-N 0 0 446.591 4.376 40 0 IIABRN Cc1nc2cc([C@H]3CCCN3Cc3ccc(F)cc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257307703 568714694 /nfs/dbraw/zinc/71/46/94/568714694.db2.gz SZWPAZWFOZGEQO-HSZRJFAPSA-N 0 0 437.563 4.280 40 0 IIABRN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1nnc(-c2ccccn2)o1 ZINC000257308471 568714976 /nfs/dbraw/zinc/71/49/76/568714976.db2.gz TWVMSYWFZHDFRR-MRXNPFEDSA-N 0 0 438.431 4.066 40 0 IIABRN COc1cc(CNc2cc(-c3c[nH]nc3[C@H]3CCN(C(C)=O)C3)ccn2)ccc1OC(C)C ZINC000257311751 568716186 /nfs/dbraw/zinc/71/61/86/568716186.db2.gz UKVRUYQGMGQUAC-FQEVSTJZSA-N 0 0 449.555 4.215 40 0 IIABRN Cc1cccc(Cc2cncc([C@@H]3CCCN3C(=O)C(C)(C)NC(=O)c3ccccc3)n2)c1 ZINC000257319293 568719588 /nfs/dbraw/zinc/71/95/88/568719588.db2.gz VRTLCACKKPGYCW-DEOSSOPVSA-N 0 0 442.563 4.248 40 0 IIABRN COc1cc(C(=O)N2CCC[C@@H](Cc3cccc(C)n3)C2)ccc1OCc1ccccn1 ZINC000257324152 568721983 /nfs/dbraw/zinc/72/19/83/568721983.db2.gz WNKHKLZGCAYPNJ-FQEVSTJZSA-N 0 0 431.536 4.468 40 0 IIABRN Cc1ccc(Oc2ncccc2C(=O)N2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)cn1 ZINC000257324134 568722008 /nfs/dbraw/zinc/72/20/08/568722008.db2.gz WNHRYVMWKZNZOC-JOCHJYFZSA-N 0 0 445.519 4.420 40 0 IIABRN Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)nc(C)n2)n[nH]1 ZINC000257327997 568723281 /nfs/dbraw/zinc/72/32/81/568723281.db2.gz XDSUMTPDKMSXFN-UHFFFAOYSA-N 0 0 442.926 4.448 40 0 IIABRN CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2cccc(C)c2)CC1 ZINC000257331387 568724976 /nfs/dbraw/zinc/72/49/76/568724976.db2.gz XSQBEJNDBIJZAM-UHFFFAOYSA-N 0 0 441.575 4.197 40 0 IIABRN Cc1cccc(Nc2cncc(C3CCN(C(=O)CC[C@@H](O)c4ccc(F)cc4)CC3)n2)n1 ZINC000257331248 568725006 /nfs/dbraw/zinc/72/50/06/568725006.db2.gz XRZAHASRNRSFQT-JOCHJYFZSA-N 0 0 449.530 4.283 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257332137 568725153 /nfs/dbraw/zinc/72/51/53/568725153.db2.gz XVXFAEXHVMOKQG-QGZVFWFLSA-N 0 0 426.536 4.166 40 0 IIABRN COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)c4coc(C)n4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257334430 568726220 /nfs/dbraw/zinc/72/62/20/568726220.db2.gz YFVSWWCBSFBKJC-GHTZIAJQSA-N 0 0 426.513 4.163 40 0 IIABRN COc1ccc(C2(C(=O)N3CCC[C@@](C)(c4cc(N(C)C)nc(C)n4)C3)CCCC2)cc1 ZINC000257335406 568726495 /nfs/dbraw/zinc/72/64/95/568726495.db2.gz YJZZJTRVCOGNNB-RUZDIDTESA-N 0 0 436.600 4.252 40 0 IIABRN O=C(c1ccc(-c2cncnc2)nc1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000257336225 568726862 /nfs/dbraw/zinc/72/68/62/568726862.db2.gz YNPFFHAFKZCRHH-IBGZPJMESA-N 0 0 438.491 4.141 40 0 IIABRN Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4ccn(C(C)C)n4)C3)cc2s1 ZINC000257337154 568727395 /nfs/dbraw/zinc/72/73/95/568727395.db2.gz YRQVZGKJZYEVRI-INIZCTEOSA-N 0 0 425.558 4.263 40 0 IIABRN CC(C)Oc1ccccc1CN1CCO[C@H](c2cc(CCOc3ccccc3)n(C)n2)C1 ZINC000257336805 568727411 /nfs/dbraw/zinc/72/74/11/568727411.db2.gz YQCHXPFPWPFEPC-SANMLTNESA-N 0 0 435.568 4.402 40 0 IIABRN O=C(c1ccc(Cc2ccc(F)cc2)nc1)N1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257337837 568727817 /nfs/dbraw/zinc/72/78/17/568727817.db2.gz YUQGZPAXKLCIPT-LJQANCHMSA-N 0 0 442.498 4.011 40 0 IIABRN COc1cc(C)ccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000257339716 568728552 /nfs/dbraw/zinc/72/85/52/568728552.db2.gz ZCWWADWXKPQJRU-XMMPIXPASA-N 0 0 425.504 4.061 40 0 IIABRN O=C(c1cc2cc(Cl)ccc2o1)N1CCNC(=O)[C@@H]1Cc1cccc(-c2cccnc2)c1 ZINC000257344100 568730138 /nfs/dbraw/zinc/73/01/38/568730138.db2.gz ZVTNERVXYFBAQD-NRFANRHFSA-N 0 0 445.906 4.332 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)on1 ZINC000257344470 568730489 /nfs/dbraw/zinc/73/04/89/568730489.db2.gz ZXJLZWAHEBCGGS-KRWDZBQOSA-N 0 0 449.486 4.121 40 0 IIABRN CCCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1cccc(Cl)c1 ZINC000261366276 568733794 /nfs/dbraw/zinc/73/37/94/568733794.db2.gz YMACWXRSUXIYLB-HXUWFJFHSA-O 0 0 427.937 4.206 40 0 IIABRN COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4cncc(C)c4)C3)nn2c1 ZINC000306128366 568765219 /nfs/dbraw/zinc/76/52/19/568765219.db2.gz GYNOXDQRQRAPCE-SFHVURJKSA-N 0 0 445.498 4.267 40 0 IIABRN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cccs5)C4)nn3c2)c1OC ZINC000306131438 568766683 /nfs/dbraw/zinc/76/66/83/568766683.db2.gz KEKAQSSPFGAGBN-QGZVFWFLSA-N 0 0 448.548 4.495 40 0 IIABRN CC(C)n1cc(CN2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306133130 568767752 /nfs/dbraw/zinc/76/77/52/568767752.db2.gz MCTTWNPNSZYBPD-GMAHTHKFSA-N 0 0 425.529 4.025 40 0 IIABRN COc1ccc(-c2cccc3nc([C@H]4CN(C(=O)c5ccsc5)CCN4C)cn32)cc1 ZINC000306136411 568769496 /nfs/dbraw/zinc/76/94/96/568769496.db2.gz PSQHNIGTKBKTOO-JOCHJYFZSA-N 0 0 432.549 4.200 40 0 IIABRN COc1ccccc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(c3ncccn3)CC2)C1 ZINC000306139465 568771322 /nfs/dbraw/zinc/77/13/22/568771322.db2.gz SYCQAIAPXJJSQG-UHFFFAOYSA-N 0 0 446.599 4.125 40 0 IIABRN COc1cc(C(=O)[O-])ccc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000077301176 568784848 /nfs/dbraw/zinc/78/48/48/568784848.db2.gz AXUKEZOJOPXXTB-UHFFFAOYSA-N 0 0 428.460 4.322 40 0 in-vitro IIABRN Cc1sc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)nc1-c1ccc(Cl)cc1 ZINC000001791457 568788015 /nfs/dbraw/zinc/78/80/15/568788015.db2.gz QMFPCKYEHNUTAL-LLVKDONJSA-N 0 0 425.897 4.395 40 0 IIABRN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1 ZINC000002753379 568789173 /nfs/dbraw/zinc/78/91/73/568789173.db2.gz PVGUSJSAJUZJHY-UHFFFAOYSA-N 0 0 438.505 4.394 40 0 IIABRN CC(C)Nc1nc(Nc2ccc(I)cc2Cl)cc(C2CC2)n1 ZINC000329000111 568808874 /nfs/dbraw/zinc/80/88/74/568808874.db2.gz JZLOHZGPWSLVPX-UHFFFAOYSA-N 0 0 428.705 4.020 40 0 IIABRN CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329005249 568809114 /nfs/dbraw/zinc/80/91/14/568809114.db2.gz KXHHWJHXCIWWFE-IBGZPJMESA-N 0 0 433.394 4.354 40 0 IIABRN Fc1cc(Br)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000329008958 568809317 /nfs/dbraw/zinc/80/93/17/568809317.db2.gz LTGZDJKJUMBTBQ-UHFFFAOYSA-N 0 0 428.309 4.382 40 0 IIABRN Cc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](C)CO)n1 ZINC000329033820 568809914 /nfs/dbraw/zinc/80/99/14/568809914.db2.gz QWJPZXWZWSLRGJ-HNNXBMFYSA-N 0 0 432.446 4.039 40 0 IIABRN CC[C@H](C)Nc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069708 568811227 /nfs/dbraw/zinc/81/12/27/568811227.db2.gz YZZASHMPTXRDJU-HNNXBMFYSA-N 0 0 431.462 4.146 40 0 IIABRN CC(=O)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101361237 568826164 /nfs/dbraw/zinc/82/61/64/568826164.db2.gz IRFGYOQMQZJKTO-VNTMZGSJSA-N 0 0 427.287 4.098 40 0 IIABRN CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000001289898 568859104 /nfs/dbraw/zinc/85/91/04/568859104.db2.gz YFMGCVJXVVVSML-CQSZACIVSA-N 0 0 435.307 4.091 40 0 IIABRN COc1ccc(-c2nnc(N(CC(C)C)C(=O)COc3ccccc3)s2)cc1OC ZINC000001356559 568898114 /nfs/dbraw/zinc/89/81/14/568898114.db2.gz WHASVMRRPGFTRN-UHFFFAOYSA-N 0 0 427.526 4.290 40 0 IIABRN O=S(=O)(c1ccc(Cl)cc1)C(Cl)(Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001583781 568941440 /nfs/dbraw/zinc/94/14/40/568941440.db2.gz QGXFXFJRPVJYBR-UHFFFAOYSA-N 0 0 434.149 4.330 40 0 IIABRN CC(=O)O[C@@H]1N(C(C)=O)[C@H](SC23CC4CC(CC(C4)C2)C3)C(C)=C[C@]1(C)OC(C)=O ZINC000005432788 569155535 /nfs/dbraw/zinc/15/55/35/569155535.db2.gz BECSDSMCMZTCPM-GLICFDPASA-N 0 0 435.586 4.034 40 0 IIABRN CCCC(=O)n1c(C)nc2c1SC(c1ccc(OC)c(OC)c1)=NN2C(=O)CCC ZINC000016806855 569162214 /nfs/dbraw/zinc/16/22/14/569162214.db2.gz YTFFTWNACKIFFM-UHFFFAOYSA-N 0 0 430.530 4.250 40 0 IIABRN CCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccccc2)n(-n2cccc2)c1=S ZINC000016807041 569162263 /nfs/dbraw/zinc/16/22/63/569162263.db2.gz VMZIOPHJXIJHQL-UHFFFAOYSA-N 0 0 447.520 4.009 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000247977341 569206653 /nfs/dbraw/zinc/20/66/53/569206653.db2.gz GEVOZVXNXFSURV-MEWSVHOLSA-N 0 0 445.607 4.471 40 0 IIABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CC[C@H](O)[C@@]3(C)O)c1 ZINC000248338243 569207695 /nfs/dbraw/zinc/20/76/95/569207695.db2.gz RHOIBNSLNBQDPQ-KGAYSMDMSA-N 0 0 432.557 4.044 40 0 IIABRN Cc1ccsc1CN1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000253599037 569209132 /nfs/dbraw/zinc/20/91/32/569209132.db2.gz KFOLRBSZZKGQOJ-XLIONFOSSA-N 0 0 438.597 4.130 40 0 IIABRN C[C@@H]1CCCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)c4ccccn4)C3)n2)C1 ZINC000253604225 569209154 /nfs/dbraw/zinc/20/91/54/569209154.db2.gz WNBBDVRSZJBVQR-CTNGQTDRSA-N 0 0 442.567 4.190 40 0 IIABRN CCCn1c2nnc(SCC(=O)Nc3ccc(C)cc3)n2c2ccc(Cl)cc2c1=O ZINC000033255043 569217588 /nfs/dbraw/zinc/21/75/88/569217588.db2.gz VUKRHWOEALFLQM-UHFFFAOYSA-N 0 0 441.944 4.147 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4ccccc43)C2)cc1C ZINC000009973703 569220290 /nfs/dbraw/zinc/22/02/90/569220290.db2.gz JZCCDFORDSEXTM-IBGZPJMESA-N 0 0 438.549 4.196 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2C)C1 ZINC000009974754 569220663 /nfs/dbraw/zinc/22/06/63/569220663.db2.gz HTCNAYWNPQIGJY-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN CCc1s/c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1-c1ccc(OC)cc1 ZINC000010042043 569220887 /nfs/dbraw/zinc/22/08/87/569220887.db2.gz SYPMKQZFZMGXCU-VHXPQNKSSA-N 0 0 442.537 4.092 40 0 IIABRN COc1ccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1OC ZINC000010042488 569221060 /nfs/dbraw/zinc/22/10/60/569221060.db2.gz FRGCRSIPGWLECC-UHFFFAOYSA-N 0 0 434.444 4.271 40 0 IIABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCc3ccccc3)c2)CC1 ZINC000010110341 569221072 /nfs/dbraw/zinc/22/10/72/569221072.db2.gz IQSZTPRTHCGJNP-UHFFFAOYSA-N 0 0 434.989 4.123 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1 ZINC000010128285 569221490 /nfs/dbraw/zinc/22/14/90/569221490.db2.gz VYDFDVXSWMLGQX-OAQYLSRUSA-N 0 0 428.941 4.177 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000010314926 569222747 /nfs/dbraw/zinc/22/27/47/569222747.db2.gz RXQAGEQVUWACLT-UHFFFAOYSA-N 0 0 440.521 4.374 40 0 IIABRN Cc1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010326451 569223052 /nfs/dbraw/zinc/22/30/52/569223052.db2.gz AFVARAWRBLPGAH-LJQANCHMSA-N 0 0 434.561 4.373 40 0 IIABRN C[C@H]1Cc2cc(C(=O)N3CCc4ccccc4C3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010326193 569223056 /nfs/dbraw/zinc/22/30/56/569223056.db2.gz PZEGTTNOIFNTGT-SFHVURJKSA-N 0 0 432.545 4.025 40 0 IIABRN CC(C)(C)NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010330761 569223239 /nfs/dbraw/zinc/22/32/39/569223239.db2.gz SSULYMWESOUYED-UHFFFAOYSA-N 0 0 429.369 4.488 40 0 IIABRN Cc1ccc(SCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000010334076 569223426 /nfs/dbraw/zinc/22/34/26/569223426.db2.gz FLFTYJNVPLAEJZ-INIZCTEOSA-N 0 0 441.018 4.020 40 0 IIABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000010333326 569223434 /nfs/dbraw/zinc/22/34/34/569223434.db2.gz ASRVZRXDPVJQTC-CQSZACIVSA-N 0 0 429.369 4.081 40 0 IIABRN CC(C)CNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010360912 569223737 /nfs/dbraw/zinc/22/37/37/569223737.db2.gz GJTQOGGDXCOJRP-UHFFFAOYSA-N 0 0 429.369 4.345 40 0 IIABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000014429973 569225169 /nfs/dbraw/zinc/22/51/69/569225169.db2.gz XGPBPHCJJIUDIY-UHFFFAOYSA-N 0 0 432.851 4.396 40 0 IIABRN Cc1cccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000015398139 569225386 /nfs/dbraw/zinc/22/53/86/569225386.db2.gz WZTDDLPCHVITRT-UHFFFAOYSA-N 0 0 428.941 4.160 40 0 IIABRN COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016030678 569225709 /nfs/dbraw/zinc/22/57/09/569225709.db2.gz CJLGNIFBXQJHJN-UHFFFAOYSA-N 0 0 444.940 4.178 40 0 IIABRN Cc1ccc(CC(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cc1C ZINC000019692949 569228484 /nfs/dbraw/zinc/22/84/84/569228484.db2.gz GAQNRLQDEGHVPX-HSZRJFAPSA-N 0 0 448.542 4.108 40 0 IIABRN CCCc1cc(C(=O)N2CCO[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)no1 ZINC000019696761 569229798 /nfs/dbraw/zinc/22/97/98/569229798.db2.gz XJSPMLGTTDPLKI-GOSISDBHSA-N 0 0 441.553 4.194 40 0 IIABRN Cc1ncoc1C(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1 ZINC000019700123 569231009 /nfs/dbraw/zinc/23/10/09/569231009.db2.gz ILDWTVUMHLAVBO-UHFFFAOYSA-N 0 0 446.551 4.035 40 0 IIABRN CCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)CC2CCCCC2)CC1 ZINC000019700361 569231151 /nfs/dbraw/zinc/23/11/51/569231151.db2.gz BHGGYPUCJXMMJB-UHFFFAOYSA-N 0 0 448.611 4.401 40 0 IIABRN CCc1nc(NC(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)sc1C ZINC000019703591 569233139 /nfs/dbraw/zinc/23/31/39/569233139.db2.gz OVQVRIYXLDZSRE-QHCPKHFHSA-N 0 0 438.553 4.089 40 0 IIABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)Cn3c(C)nc4ccccc43)cc2)C1 ZINC000019711779 569234860 /nfs/dbraw/zinc/23/48/60/569234860.db2.gz KRBRGVWFQVWTPQ-SDUSCBPUSA-N 0 0 448.567 4.364 40 0 IIABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)C1 ZINC000019711762 569234953 /nfs/dbraw/zinc/23/49/53/569234953.db2.gz RABGAKQCUOPILN-HUVFLSCGSA-N 0 0 434.540 4.056 40 0 IIABRN Cc1nc([C@]2(O)CCCN(c3nc(C)cc(C)n3)CC2)sc1CCOc1ccccc1 ZINC000019738705 569235938 /nfs/dbraw/zinc/23/59/38/569235938.db2.gz PHVSHBCZMZZDGZ-DEOSSOPVSA-N 0 0 438.597 4.358 40 0 IIABRN COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CCC4CCCC4)C3)nc2C)cc1 ZINC000019766207 569239318 /nfs/dbraw/zinc/23/93/18/569239318.db2.gz CEJSOBUDHHCKNZ-IBGZPJMESA-N 0 0 436.556 4.332 40 0 IIABRN COC(=O)c1c(NC(=O)CSCc2c(F)cccc2Cl)sc2c1CCN(C)C2 ZINC000020242039 569241347 /nfs/dbraw/zinc/24/13/47/569241347.db2.gz JRXKNCTUUWHECK-UHFFFAOYSA-N 0 0 442.965 4.187 40 0 IIABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1C ZINC000021965997 569241614 /nfs/dbraw/zinc/24/16/14/569241614.db2.gz WLFPDEFDKOHZFR-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)o2)c(OC)c1 ZINC000021572902 569241636 /nfs/dbraw/zinc/24/16/36/569241636.db2.gz LNWYGIFKRWCTEK-UHFFFAOYSA-N 0 0 435.889 4.147 40 0 IIABRN CSc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000026120913 569242655 /nfs/dbraw/zinc/24/26/55/569242655.db2.gz IZMHJISGTXXPGI-UHFFFAOYSA-N 0 0 430.595 4.176 40 0 IIABRN Cc1c(OCc2nnc(SCC(=O)NCc3ccccc3)n2C)ccc2ccccc21 ZINC000033429803 569243991 /nfs/dbraw/zinc/24/39/91/569243991.db2.gz GBJDHVYQBUWLQM-UHFFFAOYSA-N 0 0 432.549 4.264 40 0 IIABRN CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000033510622 569244241 /nfs/dbraw/zinc/24/42/41/569244241.db2.gz CSDLTWPAPHSBOL-UHFFFAOYSA-N 0 0 440.521 4.212 40 0 IIABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000033594013 569244853 /nfs/dbraw/zinc/24/48/53/569244853.db2.gz RZNKDSVDLHRMPD-JOCHJYFZSA-N 0 0 449.532 4.472 40 0 IIABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2Cl)CC1 ZINC000033653386 569245331 /nfs/dbraw/zinc/24/53/31/569245331.db2.gz KDZOEXOAYVPUKZ-UHFFFAOYSA-N 0 0 436.339 4.070 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OC(C)C)ccc4ccccc43)C2=O)o1 ZINC000033706443 569245974 /nfs/dbraw/zinc/24/59/74/569245974.db2.gz DBPZTGWRAWVFCF-UNOMPAQXSA-N 0 0 434.448 4.100 40 0 IIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)c1 ZINC000034863936 569247831 /nfs/dbraw/zinc/24/78/31/569247831.db2.gz OFKBDJDNZRJHPD-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)c1 ZINC000035105038 569248258 /nfs/dbraw/zinc/24/82/58/569248258.db2.gz MIKADSGMDBHZHW-UHFFFAOYSA-N 0 0 430.570 4.322 40 0 IIABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc1 ZINC000035169241 569248365 /nfs/dbraw/zinc/24/83/65/569248365.db2.gz JWRNLAXCCRKXGB-WQRHYEAKSA-N 0 0 426.494 4.083 40 0 IIABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000035175778 569248370 /nfs/dbraw/zinc/24/83/70/569248370.db2.gz UECSZRSTRVKMHT-UHFFFAOYSA-N 0 0 430.913 4.467 40 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IIABRN Cc1cc(C)cc(-c2ccccc2CC2(C(=O)N3CCC[C@H](C(N)=O)C3)CCOCC2)c1 ZINC000141519047 569254867 /nfs/dbraw/zinc/25/48/67/569254867.db2.gz YKEIHQFZPQDQHE-QFIPXVFZSA-N 0 0 434.580 4.034 40 0 IIABRN COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(OC)c1O ZINC000205659026 569255480 /nfs/dbraw/zinc/25/54/80/569255480.db2.gz KBWJRFPMYRYUOD-YAXRCOADSA-N 0 0 449.868 4.028 40 0 IIABRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000205689502 569255482 /nfs/dbraw/zinc/25/54/82/569255482.db2.gz ULEWGEBBGOOKCO-UDWIEESQSA-N 0 0 441.505 4.182 40 0 IIABRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OC(C)C ZINC000205705159 569255600 /nfs/dbraw/zinc/25/56/00/569255600.db2.gz SDNUXZXCYAUNGN-OVCLIPMQSA-N 0 0 427.906 4.124 40 0 IIABRN Cc1cccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)n1 ZINC000205775534 569255654 /nfs/dbraw/zinc/25/56/54/569255654.db2.gz JTACKTBCJWNAEJ-OQLLNIDSSA-N 0 0 436.274 4.231 40 0 IIABRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O)N1CCCC1 ZINC000205856296 569255731 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YCMSIARXFLRVIM-UHFFFAOYSA-N 0 0 442.523 4.410 40 0 IIABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc(O)c(OC)c1 ZINC000261362540 569315612 /nfs/dbraw/zinc/31/56/12/569315612.db2.gz KJRUCOOMCWJQPR-FQEVSTJZSA-O 0 0 425.534 4.106 40 0 IIABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccs1 ZINC000261363110 569315647 /nfs/dbraw/zinc/31/56/47/569315647.db2.gz GCDIQUNJBYBJEQ-HXUWFJFHSA-O 0 0 427.575 4.394 40 0 IIABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261366406 569315938 /nfs/dbraw/zinc/31/59/38/569315938.db2.gz ZNMGIKAVWWGTJS-IBGZPJMESA-O 0 0 447.462 4.181 40 0 IIABRN Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@@H]3c2ccc(O)cc2)cc1 ZINC000261365272 569315988 /nfs/dbraw/zinc/31/59/88/569315988.db2.gz RABVZOFUHHIQKC-QFIPXVFZSA-O 0 0 429.525 4.415 40 0 IIABRN Cc1ccc(CSc2n[n+]3c(c(=O)[n-]2)-c2ccccc2N[C@@H]3c2cccc(O)c2)cc1 ZINC000261366057 569316005 /nfs/dbraw/zinc/31/60/05/569316005.db2.gz XDMSSYHXHCJANT-QFIPXVFZSA-O 0 0 429.525 4.415 40 0 IIABRN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)cc1 ZINC000019694935 569326812 /nfs/dbraw/zinc/32/68/12/569326812.db2.gz OJDYMJWHLLRRDY-FQEVSTJZSA-N 0 0 448.542 4.306 40 0 IIABRN COc1c(C)cccc1CN(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019698612 569326839 /nfs/dbraw/zinc/32/68/39/569326839.db2.gz AUBQMTUNULAGAC-UHFFFAOYSA-N 0 0 444.579 4.256 40 0 IIABRN CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)Cc2ccccn2)CC1 ZINC000019700425 569327149 /nfs/dbraw/zinc/32/71/49/569327149.db2.gz LFXYARUKISMDRF-UHFFFAOYSA-N 0 0 445.538 4.028 40 0 IIABRN CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019700202 569327153 /nfs/dbraw/zinc/32/71/53/569327153.db2.gz MTOFDWCHXGDIML-UHFFFAOYSA-N 0 0 431.511 4.099 40 0 IIABRN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)c3cnccn3)CC2)c1 ZINC000019700395 569327155 /nfs/dbraw/zinc/32/71/55/569327155.db2.gz UKAKKMCZLICYML-UHFFFAOYSA-N 0 0 442.563 4.005 40 0 IIABRN O=C(Cc1c[nH]c2ccccc12)N1CCC2(CC1)CC=CCN(Cc1ccc(F)cc1)C2=O ZINC000019744761 569328245 /nfs/dbraw/zinc/32/82/45/569328245.db2.gz FBOSUHLUNYEVEV-UHFFFAOYSA-N 0 0 445.538 4.447 40 0 IIABRN COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccccc2)nc1C ZINC000019754114 569328601 /nfs/dbraw/zinc/32/86/01/569328601.db2.gz SIHMIQIYNMEVPF-NRFANRHFSA-N 0 0 430.508 4.413 40 0 IIABRN COCCNC(=O)c1cc([C@@H]2CN(C/C(C)=C/c3ccccc3)CCO2)nc2ccccc21 ZINC000019759647 569328652 /nfs/dbraw/zinc/32/86/52/569328652.db2.gz IDJIPWUIQBDRKI-WFTVZMDTSA-N 0 0 445.563 4.088 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)COc2ccccc2)ncc1C(=O)Nc1ccccc1F ZINC000019764704 569329023 /nfs/dbraw/zinc/32/90/23/569329023.db2.gz VFKPKOGEGOERTG-JOCHJYFZSA-N 0 0 448.498 4.309 40 0 IIABRN COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC(C)CC2)cc1 ZINC000020381708 569362665 /nfs/dbraw/zinc/36/26/65/569362665.db2.gz AEHKLVHPPYQXKY-UHFFFAOYSA-N 0 0 426.538 4.321 40 0 IIABRN CCOc1ccccc1NC(=O)CSc1nnc(-n2cccc2)n1Cc1ccccc1 ZINC000028534763 569410946 /nfs/dbraw/zinc/41/09/46/569410946.db2.gz IBINUIBISLHKLK-UHFFFAOYSA-N 0 0 433.537 4.247 40 0 IIABRN Cc1sc2ncnc(OCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2c1-c1ccccc1 ZINC000028616796 569414806 /nfs/dbraw/zinc/41/48/06/569414806.db2.gz UQCZGHOMPVYIQM-UHFFFAOYSA-N 0 0 446.532 4.493 40 0 IIABRN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000003099214 569440173 /nfs/dbraw/zinc/44/01/73/569440173.db2.gz LHOYGFFJCNMQDB-UHFFFAOYSA-N 0 0 436.515 4.138 40 0 IIABRN Cc1c(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000329046674 569583168 /nfs/dbraw/zinc/58/31/68/569583168.db2.gz UDAXOTMAEOMWJS-LJQANCHMSA-N 0 0 431.462 5.038 40 0 IIABRN O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1cc2ccccc2o1 ZINC000032127444 569583502 /nfs/dbraw/zinc/58/35/02/569583502.db2.gz DQKQMIOWXLKHQD-UHFFFAOYSA-N 0 0 438.534 4.006 40 0 IIABRN CCOc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000035290686 123016209 /nfs/dbraw/zinc/01/62/09/123016209.db2.gz BUQAYLARPNHKJI-XMMPIXPASA-N 0 0 434.588 4.181 40 0 IIABRN COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)Nc3ccccc3OC)C2)cc1 ZINC000004237073 291383199 /nfs/dbraw/zinc/38/31/99/291383199.db2.gz ZWIBDBHNJVYNDV-PKOBYXMFSA-N 0 0 445.519 4.184 40 0 biogenic,in-vitro IIABRN COc1ccccc1-n1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccccn1 ZINC000006287680 193896155 /nfs/dbraw/zinc/89/61/55/193896155.db2.gz KTZPBUBTBADQPB-UHFFFAOYSA-N 0 0 437.569 4.221 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223284261 193962607 /nfs/dbraw/zinc/96/26/07/193962607.db2.gz URWPGNJZRGREEV-GOSISDBHSA-N 0 0 432.586 4.079 40 0 IIABRN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)c(C)c1 ZINC000408615365 193981366 /nfs/dbraw/zinc/98/13/66/193981366.db2.gz PLBIDIVVFXFHLZ-UHFFFAOYSA-N 0 0 434.867 4.380 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000408616696 193982430 /nfs/dbraw/zinc/98/24/30/193982430.db2.gz APLJXTVVRBYYGX-UHFFFAOYSA-N 0 0 440.924 4.061 40 0 IIABRN CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1cc(C(F)(F)F)ccc1Cl ZINC000010449555 132335837 /nfs/dbraw/zinc/33/58/37/132335837.db2.gz 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CCOc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020458610 521499735 /nfs/dbraw/zinc/49/97/35/521499735.db2.gz WQIKHOSZWZAULF-UHFFFAOYSA-N 0 0 444.940 4.470 40 0 IIABRN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000036616443 521671832 /nfs/dbraw/zinc/67/18/32/521671832.db2.gz PNYVIQFRWNSLBX-UHFFFAOYSA-N 0 0 446.580 4.291 40 0 IIABRN CC[C@@H](C(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1)c1ccccc1 ZINC000041077141 521876344 /nfs/dbraw/zinc/87/63/44/521876344.db2.gz GMZYFUQEQHYHTK-HXUWFJFHSA-N 0 0 445.523 4.183 40 0 IIABRN COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2sc(C)c(C)c2c1=O ZINC000012710821 522071772 /nfs/dbraw/zinc/07/17/72/522071772.db2.gz BAYZLCYCISUJDP-UHFFFAOYSA-N 0 0 445.610 4.377 40 0 IIABRN COC(=O)c1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020458534 522120302 /nfs/dbraw/zinc/12/03/02/522120302.db2.gz CQLFNIFWRUSRFI-UHFFFAOYSA-N 0 0 444.896 4.180 40 0 IIABRN COc1cc(CNC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)cc(OC)c1 ZINC000012234777 522408375 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524065461 /nfs/dbraw/zinc/06/54/61/524065461.db2.gz UCVBKOKOVNIZAC-UHFFFAOYSA-N 0 0 444.940 4.388 40 0 IIABRN CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)CC)c2ccccn2)c1 ZINC000012874941 524070698 /nfs/dbraw/zinc/07/06/98/524070698.db2.gz WSUXVNCFGYZMBV-HXUWFJFHSA-N 0 0 437.569 4.188 40 0 IIABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3Cc3cccs3)c3ccccc3)CC2)c1 ZINC000035290632 524128386 /nfs/dbraw/zinc/12/83/86/524128386.db2.gz GIHDMPCVBFXYLU-DEOSSOPVSA-N 0 0 444.608 4.311 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000022399987 524241326 /nfs/dbraw/zinc/24/13/26/524241326.db2.gz DWWPBWHYUHOMCD-QGZVFWFLSA-N 0 0 446.569 4.220 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1C ZINC000022539926 524333981 /nfs/dbraw/zinc/33/39/81/524333981.db2.gz BQURBUKVGAFFHY-RBUKOAKNSA-N 0 0 432.561 4.029 40 0 IIABRN COc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000020450156 524362713 /nfs/dbraw/zinc/36/27/13/524362713.db2.gz FFESMLCXSUTHQL-LJQANCHMSA-N 0 0 438.977 4.018 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428134 524363829 /nfs/dbraw/zinc/36/38/29/524363829.db2.gz VZNZVSKMPINAAG-UHFFFAOYSA-N 0 0 436.577 4.466 40 0 IIABRN Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000016283597 524588269 /nfs/dbraw/zinc/58/82/69/524588269.db2.gz IWASUPFWAXXOFL-UHFFFAOYSA-N 0 0 431.315 4.243 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000012180359 524599525 /nfs/dbraw/zinc/59/95/25/524599525.db2.gz KLLFSEFLFHQDHC-UHFFFAOYSA-N 0 0 434.930 4.183 40 0 IIABRN COc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccccc1C ZINC000012868309 524711893 /nfs/dbraw/zinc/71/18/93/524711893.db2.gz KPVVSACCEPOOML-FQEVSTJZSA-N 0 0 438.553 4.158 40 0 IIABRN C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 ZINC000012220816 524749403 /nfs/dbraw/zinc/74/94/03/524749403.db2.gz RYMSTHUMAHIZNT-HUUCEWRRSA-N 0 0 425.529 4.119 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000012636851 524877344 /nfs/dbraw/zinc/87/73/44/524877344.db2.gz UQKXVNKXLUIFHL-IBGZPJMESA-N 0 0 426.517 4.288 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000022280800 524893523 /nfs/dbraw/zinc/89/35/23/524893523.db2.gz CLARDDHEXBJDIO-XMMPIXPASA-N 0 0 434.561 4.384 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c(C)c1 ZINC000020461021 524894488 /nfs/dbraw/zinc/89/44/88/524894488.db2.gz PGLHVHPELSKACS-VWLOTQADSA-N 0 0 436.577 4.284 40 0 IIABRN COc1ncc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ccsc2)c(OC)n1 ZINC000012252671 524991924 /nfs/dbraw/zinc/99/19/24/524991924.db2.gz ZWYURNLUADHNDH-UHFFFAOYSA-N 0 0 437.500 4.473 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc2F)cc1 ZINC000022380127 525012942 /nfs/dbraw/zinc/01/29/42/525012942.db2.gz GXUTWQAYBUMOKN-UHFFFAOYSA-N 0 0 448.903 4.322 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc2)cc1C ZINC000022380119 525013495 /nfs/dbraw/zinc/01/34/95/525013495.db2.gz QHTYSICHCPVFNB-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN Cc1ccccc1-n1c2nnc(SC[C@H](O)c3ccc(F)cc3)n2c2ccccc2c1=O ZINC000012545893 525027149 /nfs/dbraw/zinc/02/71/49/525027149.db2.gz SALHDQPOYLLQDV-NRFANRHFSA-N 0 0 446.507 4.307 40 0 IIABRN COc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 ZINC000041082725 525092042 /nfs/dbraw/zinc/09/20/42/525092042.db2.gz ILLZWNIFIVGFLH-RCCKNPSSSA-N 0 0 449.484 4.116 40 0 IIABRN C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000022429108 525099371 /nfs/dbraw/zinc/09/93/71/525099371.db2.gz KXIMBVRRDWSOTN-MRXNPFEDSA-N 0 0 430.476 4.038 40 0 IIABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2C)cc1 ZINC000012636529 525115552 /nfs/dbraw/zinc/11/55/52/525115552.db2.gz QKYGNYUSEHPCIY-FQEVSTJZSA-N 0 0 438.553 4.158 40 0 IIABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000022536997 525119327 /nfs/dbraw/zinc/11/93/27/525119327.db2.gz HFTNUJSFXJRDJQ-OAHLLOKOSA-N 0 0 446.475 4.022 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 ZINC000022230962 525155799 /nfs/dbraw/zinc/15/57/99/525155799.db2.gz BENIYACZTWNOTA-UHFFFAOYSA-N 0 0 442.581 4.038 40 0 IIABRN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000022062259 525314779 /nfs/dbraw/zinc/31/47/79/525314779.db2.gz APXSFGYGBRDJDH-MRXNPFEDSA-N 0 0 447.000 4.494 40 0 IIABRN Cc1ccc(OC(C)(C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1 ZINC000012256532 525369420 /nfs/dbraw/zinc/36/94/20/525369420.db2.gz MIBZUZSPUONFEV-UHFFFAOYSA-N 0 0 432.524 4.116 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022537333 525423593 /nfs/dbraw/zinc/42/35/93/525423593.db2.gz RNLKPQVBRCZNJL-QGZVFWFLSA-N 0 0 442.512 4.191 40 0 IIABRN COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]23C)cc1 ZINC000036006959 525428245 /nfs/dbraw/zinc/42/82/45/525428245.db2.gz ACHWGWKDDQUFBY-PLXFJCCSSA-N 0 0 444.487 4.145 40 0 IIABRN COc1ccc2[nH]c(C(=O)N3CCC[C@H]([C@@H]4CC(=O)c5ccccc5O4)C3)cc2c1OC ZINC000012237012 525479319 /nfs/dbraw/zinc/47/93/19/525479319.db2.gz VQHVYMHPELOGQC-WNSKOXEYSA-N 0 0 434.492 4.071 40 0 IIABRN Cc1c(C(=O)N2CCC(c3cc4nc(C(C)(C)C)cc(C(F)(F)F)n4n3)CC2)cnn1C ZINC000012160347 525569974 /nfs/dbraw/zinc/56/99/74/525569974.db2.gz WPMAGBNQIYCUME-UHFFFAOYSA-N 0 0 448.493 4.107 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000020486988 525604072 /nfs/dbraw/zinc/60/40/72/525604072.db2.gz BANODKNYXCOYJG-UHFFFAOYSA-N 0 0 444.896 4.430 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2cccc(F)c2)o1 ZINC000012637529 525678900 /nfs/dbraw/zinc/67/89/00/525678900.db2.gz SEGCAEBGKBNROT-IBGZPJMESA-N 0 0 428.489 4.026 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C ZINC000022335071 525693472 /nfs/dbraw/zinc/69/34/72/525693472.db2.gz CUEIBOFMYWSLDI-CQSZACIVSA-N 0 0 429.369 4.254 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccn2)c1 ZINC000035288991 525748037 /nfs/dbraw/zinc/74/80/37/525748037.db2.gz GFLHFJIIDNGISB-UHFFFAOYSA-N 0 0 435.484 4.208 40 0 IIABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020459667 525767702 /nfs/dbraw/zinc/76/77/02/525767702.db2.gz VWYQIKKSTPXDME-VWLOTQADSA-N 0 0 436.577 4.284 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000020456693 525886915 /nfs/dbraw/zinc/88/69/15/525886915.db2.gz FERCFSNQRNNVEL-KRWDZBQOSA-N 0 0 434.989 4.068 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C ZINC000022335074 525888061 /nfs/dbraw/zinc/88/80/61/525888061.db2.gz CUEIBOFMYWSLDI-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)Cc3ccsc3)CC2)on1 ZINC000019122900 526045703 /nfs/dbraw/zinc/04/57/03/526045703.db2.gz WWDZOWOIFATPRI-UHFFFAOYSA-N 0 0 425.558 4.271 40 0 IIABRN COc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(F)cc2)c1 ZINC000020449574 526203206 /nfs/dbraw/zinc/20/32/06/526203206.db2.gz YVGCCYSTRHTVPJ-HNNXBMFYSA-N 0 0 440.496 4.227 40 0 IIABRN Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1N1CCCCS1(=O)=O ZINC000021756431 526219415 /nfs/dbraw/zinc/21/94/15/526219415.db2.gz KJUNGHSUHOWMBS-UHFFFAOYSA-N 0 0 441.322 4.079 40 0 IIABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CCCc2ccccc21 ZINC000022396177 526703200 /nfs/dbraw/zinc/70/32/00/526703200.db2.gz JBWJWSSHJPHANE-UHFFFAOYSA-N 0 0 430.526 4.062 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCCc1ccc(Cl)cc1 ZINC000022279201 526705172 /nfs/dbraw/zinc/70/51/72/526705172.db2.gz NMZCSVASOYYKBH-UHFFFAOYSA-N 0 0 442.968 4.284 40 0 IIABRN Cc1occc1-c1nc(NCc2cccc(F)c2)ncc1-c1ccnc(N2CCOCC2)n1 ZINC000012667849 526796790 /nfs/dbraw/zinc/79/67/90/526796790.db2.gz YDDREZRSFBLXPH-UHFFFAOYSA-N 0 0 446.486 4.090 40 0 IIABRN Cc1sc(NC(=O)CN(C(=O)c2ccc(C)cc2)C2CCCCC2)c(C(N)=O)c1C ZINC000035292389 526879623 /nfs/dbraw/zinc/87/96/23/526879623.db2.gz SRDAPKZUYLMTDB-UHFFFAOYSA-N 0 0 427.570 4.186 40 0 IIABRN O=C(c1nccc2ccccc21)N1CCC(Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000012158170 526919693 /nfs/dbraw/zinc/91/96/93/526919693.db2.gz VTEWRMUYLCFHOL-UHFFFAOYSA-N 0 0 430.533 4.072 40 0 IIABRN O=C(Nc1ccccc1Br)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020492788 527407679 /nfs/dbraw/zinc/40/76/79/527407679.db2.gz JLCMSROMALTUIQ-UHFFFAOYSA-N 0 0 437.359 4.017 40 0 IIABRN O=C(NC1CCCC1)[C@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)c1csnn1 ZINC000012872184 527509223 /nfs/dbraw/zinc/50/92/23/527509223.db2.gz ULMAEQCKXNUTNZ-IBGZPJMESA-N 0 0 444.944 4.227 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1csnn1 ZINC000035292267 527515117 /nfs/dbraw/zinc/51/51/17/527515117.db2.gz WXSVCZKMNKHLNH-QFIPXVFZSA-N 0 0 434.565 4.371 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012870280 527515132 /nfs/dbraw/zinc/51/51/32/527515132.db2.gz KEVMRXDHUPDDHA-IBGZPJMESA-N 0 0 428.489 4.107 40 0 IIABRN C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1ccc(Br)cc1 ZINC000000862432 555572937 /nfs/dbraw/zinc/57/29/37/555572937.db2.gz HRJKREOUQGOAKN-JTQLQIEISA-N 0 0 428.315 4.388 40 0 IIABRN COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2c(OC)cc(Br)cc23)c(OC)c1 ZINC000009559356 555580635 /nfs/dbraw/zinc/58/06/35/555580635.db2.gz ABGRKTMCCCTOCO-JLTOFOAXSA-N 0 0 449.301 4.245 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001455310 555699970 /nfs/dbraw/zinc/69/99/70/555699970.db2.gz VVKICZFLKWCCBF-SFHVURJKSA-N 0 0 430.504 4.139 40 0 IIABRN COc1ccc2cc(C3=N/C(=C/c4ccc(Cl)cc4)C(=O)O3)sc(=O)c2c1OC ZINC000001454362 555700016 /nfs/dbraw/zinc/70/00/16/555700016.db2.gz KNIUVUUZJUMOCM-NTEUORMPSA-N 0 0 427.865 4.277 40 0 IIABRN COC(=O)Nc1cccc(-c2nc3ccc(NC(=O)OC)cc3c(=O)n2-c2ccccc2)c1 ZINC000001556390 555702737 /nfs/dbraw/zinc/70/27/37/555702737.db2.gz GSXVBKYHFVKBNE-UHFFFAOYSA-N 0 0 444.447 4.409 40 0 IIABRN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000002018217 555727628 /nfs/dbraw/zinc/72/76/28/555727628.db2.gz ZUFRJXYMPGMUGG-DJRXRVBASA-N 0 0 432.557 4.032 40 0 IIABRN CCOC(=O)c1cc(NC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)ccc1Cl ZINC000408543819 555791079 /nfs/dbraw/zinc/79/10/79/555791079.db2.gz RBRBCBQOQNTMIP-UHFFFAOYSA-N 0 0 446.916 4.041 40 0 IIABRN Cc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408543894 555791095 /nfs/dbraw/zinc/79/10/95/555791095.db2.gz FXJITTVNPORJPK-UHFFFAOYSA-N 0 0 442.968 4.469 40 0 IIABRN CCN(C(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)n1CC)c1ccccc1 ZINC000408547601 555802446 /nfs/dbraw/zinc/80/24/46/555802446.db2.gz ZXOZUNWRNRFHBV-UHFFFAOYSA-N 0 0 426.542 4.127 40 0 IIABRN COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1OC ZINC000408549411 555830085 /nfs/dbraw/zinc/83/00/85/555830085.db2.gz SIZSCKKSIKAWPZ-ODLFYWEKSA-N 0 0 440.521 4.304 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C)C2)cc1C ZINC000408554576 555884524 /nfs/dbraw/zinc/88/45/24/555884524.db2.gz CJLRCTMZSLNKMM-LJQANCHMSA-N 0 0 430.570 4.050 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1ccccc1F ZINC000408554667 555884537 /nfs/dbraw/zinc/88/45/37/555884537.db2.gz DEQXEHQDDAIXTR-UHFFFAOYSA-N 0 0 442.512 4.264 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3CC)CC2)cc1C ZINC000408555199 555886795 /nfs/dbraw/zinc/88/67/95/555886795.db2.gz FGPIDRHLPNFOEY-UHFFFAOYSA-N 0 0 444.597 4.304 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1Cl ZINC000408555793 555892648 /nfs/dbraw/zinc/89/26/48/555892648.db2.gz GHMLYPAUBOTINN-UHFFFAOYSA-N 0 0 446.912 4.410 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3CC)C2)cc1C ZINC000408557105 555894756 /nfs/dbraw/zinc/89/47/56/555894756.db2.gz LBDKDGNQQUUEIT-HXUWFJFHSA-N 0 0 444.597 4.304 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)cc1C ZINC000408557874 555896202 /nfs/dbraw/zinc/89/62/02/555896202.db2.gz OJKJRJKKZLWNNA-LJQANCHMSA-N 0 0 430.570 4.050 40 0 IIABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1NC(=O)c1ccccc1F ZINC000408558482 555897799 /nfs/dbraw/zinc/89/77/99/555897799.db2.gz JFSBLGXNFHTAAU-UHFFFAOYSA-N 0 0 432.448 4.417 40 0 IIABRN COC(=O)c1cc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc(C(=O)OC)c1 ZINC000408566724 555910082 /nfs/dbraw/zinc/91/00/82/555910082.db2.gz OMVIDAYZSQZFIU-YDZHTSKRSA-N 0 0 445.471 4.448 40 0 IIABRN S=C(NCCN1CCOCC1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408571261 555915103 /nfs/dbraw/zinc/91/51/03/555915103.db2.gz ATYACFKLSRSYGO-UHFFFAOYSA-N 0 0 425.381 4.170 40 0 IIABRN COc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1Cl ZINC000408574139 555924867 /nfs/dbraw/zinc/92/48/67/555924867.db2.gz CLDLARMGLPLVHU-UHFFFAOYSA-N 0 0 437.732 4.060 40 0 IIABRN S=C(NCCN1CCOCC1)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408575918 555926588 /nfs/dbraw/zinc/92/65/88/555926588.db2.gz OVSGRAORLUKYRK-UHFFFAOYSA-N 0 0 425.381 4.170 40 0 IIABRN CCCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c2ccccc21 ZINC000035153853 555928502 /nfs/dbraw/zinc/92/85/02/555928502.db2.gz GHWVLDDICCANMA-MOSHPQCFSA-N 0 0 425.554 4.346 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)c(C)c1 ZINC000408584813 555935302 /nfs/dbraw/zinc/93/53/02/555935302.db2.gz VJUSAWHOMFRLNS-JTHBVZDNSA-N 0 0 442.625 4.150 40 0 IIABRN CCOC(=O)Nc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCC ZINC000408587347 555937529 /nfs/dbraw/zinc/93/75/29/555937529.db2.gz UCDWSZRNUSWOEN-UHFFFAOYSA-N 0 0 446.569 4.297 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccccc1Cl ZINC000408584633 555937573 /nfs/dbraw/zinc/93/75/73/555937573.db2.gz SFHLVZXTYAJFRM-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN CCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1Cl ZINC000408588048 555938504 /nfs/dbraw/zinc/93/85/04/555938504.db2.gz WPGVZNYYCYTCOQ-UHFFFAOYSA-N 0 0 437.686 4.144 40 0 IIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000408590583 555949532 /nfs/dbraw/zinc/94/95/32/555949532.db2.gz JVPJBRHTWODEOL-UHFFFAOYSA-N 0 0 429.586 4.204 40 0 IIABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000408591591 555952173 /nfs/dbraw/zinc/95/21/73/555952173.db2.gz JQJFWIFNJRFUOP-OAHLLOKOSA-N 0 0 439.512 4.259 40 0 IIABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408591763 555952523 /nfs/dbraw/zinc/95/25/23/555952523.db2.gz JLKDECMEZXEQCB-CYBMUJFWSA-N 0 0 445.368 4.334 40 0 IIABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408592228 555953629 /nfs/dbraw/zinc/95/36/29/555953629.db2.gz JLKDECMEZXEQCB-ZDUSSCGKSA-N 0 0 445.368 4.334 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)NCC(C)C ZINC000408596232 555963078 /nfs/dbraw/zinc/96/30/78/555963078.db2.gz TXCZUDSBNOFZQE-UHFFFAOYSA-N 0 0 443.338 4.083 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000408597197 555964367 /nfs/dbraw/zinc/96/43/67/555964367.db2.gz UCWDEQDMLQYGEW-LBPRGKRZSA-N 0 0 431.341 4.006 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000408597195 555964381 /nfs/dbraw/zinc/96/43/81/555964381.db2.gz UCWDEQDMLQYGEW-GFCCVEGCSA-N 0 0 431.341 4.006 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl ZINC000408597595 555965333 /nfs/dbraw/zinc/96/53/33/555965333.db2.gz ZNBNLCRUDXCVHT-UHFFFAOYSA-N 0 0 436.961 4.277 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1Cl ZINC000408607069 555967390 /nfs/dbraw/zinc/96/73/90/555967390.db2.gz PXLIXACUPXDACH-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408601459 555969728 /nfs/dbraw/zinc/96/97/28/555969728.db2.gz BAJJYTZCAZUIPS-LBPRGKRZSA-N 0 0 447.322 4.185 40 0 IIABRN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(C)c(Br)c1 ZINC000408602110 555970977 /nfs/dbraw/zinc/97/09/77/555970977.db2.gz AKCMLAJGACAWJD-SFHVURJKSA-N 0 0 431.355 4.251 40 0 IIABRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccc(Br)cc3)o2)NC(=S)N1 ZINC000408602501 555971269 /nfs/dbraw/zinc/97/12/69/555971269.db2.gz BXVNACGQUFXDJF-KRWDZBQOSA-N 0 0 435.343 4.454 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000408603842 555972976 /nfs/dbraw/zinc/97/29/76/555972976.db2.gz HGHLSLRNGRZMTL-LBPRGKRZSA-N 0 0 431.341 4.006 40 0 IIABRN CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000408604106 555973846 /nfs/dbraw/zinc/97/38/46/555973846.db2.gz SMHZBPSWQDCGSO-CPNJWEJPSA-N 0 0 426.494 4.159 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1C ZINC000408608892 555979556 /nfs/dbraw/zinc/97/95/56/555979556.db2.gz QGJAUKJFEVUQCU-GFCCVEGCSA-N 0 0 431.341 4.006 40 0 IIABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000408618343 555981839 /nfs/dbraw/zinc/98/18/39/555981839.db2.gz FQWLVYUJZSOKIE-UHFFFAOYSA-N 0 0 431.341 4.008 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000408619359 555983440 /nfs/dbraw/zinc/98/34/40/555983440.db2.gz LVQQBZKIPCBDFB-FQEVSTJZSA-N 0 0 436.577 4.404 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)c2cc3c(nc(SC)nc3N3CCCC3)s2)cc1 ZINC000408621512 555990152 /nfs/dbraw/zinc/99/01/52/555990152.db2.gz OJNCHUQLDQTPQC-UHFFFAOYSA-N 0 0 442.566 4.442 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000408623390 555992430 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IIABRN COc1ccccc1CNC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000408635395 556012767 /nfs/dbraw/zinc/01/27/67/556012767.db2.gz AJXTZMVUOVJROK-UHFFFAOYSA-N 0 0 428.583 4.342 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000408635890 556014363 /nfs/dbraw/zinc/01/43/63/556014363.db2.gz JCJZDBSPQQMFHJ-UHFFFAOYSA-N 0 0 434.533 4.105 40 0 IIABRN CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O ZINC000408640875 556016870 /nfs/dbraw/zinc/01/68/70/556016870.db2.gz KCODDELPIGTZNA-OAHLLOKOSA-N 0 0 431.330 4.456 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2SC)c(Cl)c1 ZINC000408637092 556019876 /nfs/dbraw/zinc/01/98/76/556019876.db2.gz XMOVHPRWRKNCBC-UHFFFAOYSA-N 0 0 442.990 4.158 40 0 IIABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000408637490 556020805 /nfs/dbraw/zinc/02/08/05/556020805.db2.gz LDDNRWPYRCUQRZ-UHFFFAOYSA-N 0 0 440.569 4.254 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1c(C)cccc1C ZINC000408645911 556022128 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/nfs/dbraw/zinc/41/16/59/556411659.db2.gz GHWXZADUOXBKHE-UHFFFAOYSA-N 0 0 443.352 4.429 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000039479328 556435239 /nfs/dbraw/zinc/43/52/39/556435239.db2.gz QDVYJQLCTBVXKA-IBGZPJMESA-N 0 0 444.597 4.011 40 0 IIABRN CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 ZINC000039761166 556436425 /nfs/dbraw/zinc/43/64/25/556436425.db2.gz UJPNSIKNIPCEFE-UHFFFAOYSA-N 0 0 441.447 4.200 40 0 IIABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1OC ZINC000013025345 556440361 /nfs/dbraw/zinc/44/03/61/556440361.db2.gz DUCLXKNERSBOJA-HSZRJFAPSA-N 0 0 449.507 4.139 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000014907954 556457901 /nfs/dbraw/zinc/45/79/01/556457901.db2.gz RREAFDYOTZUUGH-UHFFFAOYSA-N 0 0 441.597 4.025 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)C[C@H](C)O5)C3)cc2n1 ZINC000013225559 556499412 /nfs/dbraw/zinc/49/94/12/556499412.db2.gz SVFFKQJOWZHIIN-HOCLYGCPSA-N 0 0 444.457 4.400 40 0 IIABRN C[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000030751217 556502874 /nfs/dbraw/zinc/50/28/74/556502874.db2.gz PMVIEOPVRAVOND-QGZVFWFLSA-N 0 0 442.512 4.089 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1N1CCCC1=O ZINC000030849171 556508076 /nfs/dbraw/zinc/50/80/76/556508076.db2.gz YDZQYWVSXJWMIJ-UHFFFAOYSA-N 0 0 438.505 4.415 40 0 IIABRN O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCc2ccccc2C1 ZINC000030851842 556509039 /nfs/dbraw/zinc/50/90/39/556509039.db2.gz OSZAWOQYZOEXEU-UHFFFAOYSA-N 0 0 426.925 4.339 40 0 IIABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000030869631 556513157 /nfs/dbraw/zinc/51/31/57/556513157.db2.gz QXHYWTXJBKVDMV-NTEUORMPSA-N 0 0 430.570 4.331 40 0 IIABRN CCOc1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000030870692 556513447 /nfs/dbraw/zinc/51/34/47/556513447.db2.gz ZWQGYVFYHGCYAW-DEOSSOPVSA-N 0 0 436.533 4.383 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030869817 556513508 /nfs/dbraw/zinc/51/35/08/556513508.db2.gz RMBQQLNXQXMDGK-UONOGXRCSA-N 0 0 429.369 4.334 40 0 IIABRN CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030871449 556513846 /nfs/dbraw/zinc/51/38/46/556513846.db2.gz KOYRURNUDPNKJR-QHCPKHFHSA-N 0 0 442.625 4.425 40 0 IIABRN Cc1ccc(COc2ccc(/C=c3\sc4nnc(Cc5ccccc5)n4c3=O)cc2)cc1 ZINC000013547106 556514146 /nfs/dbraw/zinc/51/41/46/556514146.db2.gz QAFZSPYXIDJISS-HAHDFKILSA-N 0 0 439.540 4.177 40 0 IIABRN Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000031108383 556519633 /nfs/dbraw/zinc/51/96/33/556519633.db2.gz ZIALZDGJOQWLNU-UHFFFAOYSA-N 0 0 441.380 4.019 40 0 IIABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581780 556528087 /nfs/dbraw/zinc/52/80/87/556528087.db2.gz XLINSBZIYHGOTN-UHFFFAOYSA-N 0 0 438.549 4.085 40 0 IIABRN Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015511672 556531936 /nfs/dbraw/zinc/53/19/36/556531936.db2.gz HDYCACSCZUZRMQ-UHFFFAOYSA-N 0 0 442.459 4.321 40 0 IIABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000032125061 556534047 /nfs/dbraw/zinc/53/40/47/556534047.db2.gz GBYQWNHAUINKCH-UHFFFAOYSA-N 0 0 431.583 4.030 40 0 IIABRN Cc1cc(I)cnc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000032125169 556534248 /nfs/dbraw/zinc/53/42/48/556534248.db2.gz FEFNYGVUOOMZBF-UHFFFAOYSA-N 0 0 447.301 4.275 40 0 IIABRN Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000032125241 556534601 /nfs/dbraw/zinc/53/46/01/556534601.db2.gz GLDZZRMXWACSHT-UHFFFAOYSA-N 0 0 443.547 4.283 40 0 IIABRN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000032127531 556536602 /nfs/dbraw/zinc/53/66/02/556536602.db2.gz ZEIBCPXLRJSMTK-UHFFFAOYSA-N 0 0 433.489 4.103 40 0 IIABRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc2c(c1)OCO2 ZINC000032127923 556536871 /nfs/dbraw/zinc/53/68/71/556536871.db2.gz JGCPMZBPXATHOJ-UHFFFAOYSA-N 0 0 435.436 4.489 40 0 IIABRN COc1cc2c(cc1OC)n(Cc1cccc(C)c1)c(=O)n(-c1cccc(Cl)c1)c2=O ZINC000013634543 556540528 /nfs/dbraw/zinc/54/05/28/556540528.db2.gz YCZVGQPZRUBFIQ-UHFFFAOYSA-N 0 0 436.895 4.180 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508730 556540602 /nfs/dbraw/zinc/54/06/02/556540602.db2.gz GOJCCQAJPRXODF-ROUUACIJSA-N 0 0 441.405 4.264 40 0 IIABRN COCc1nn2c(ncc3c2C[C@@H](c2ccco2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013638476 556541935 /nfs/dbraw/zinc/54/19/35/556541935.db2.gz DAASIJMZWQKQLX-OAHLLOKOSA-N 0 0 433.464 4.066 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccc(Cl)cc3)[C@H]2C1 ZINC000032640410 556544877 /nfs/dbraw/zinc/54/48/77/556544877.db2.gz IRFGUQPWWKBXDX-IRXDYDNUSA-N 0 0 445.368 4.408 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1C(=O)N1CCCCCC1 ZINC000013667484 556548718 /nfs/dbraw/zinc/54/87/18/556548718.db2.gz MGNRLOVJCBVGEY-LJQANCHMSA-N 0 0 444.597 4.368 40 0 IIABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000013669440 556550140 /nfs/dbraw/zinc/55/01/40/556550140.db2.gz LCXUXOZXXWDYRE-QGZVFWFLSA-N 0 0 432.586 4.026 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2C)cc1 ZINC000013670021 556550958 /nfs/dbraw/zinc/55/09/58/556550958.db2.gz PMXPPIBEBWAASY-HXUWFJFHSA-N 0 0 434.561 4.477 40 0 IIABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000013670634 556551534 /nfs/dbraw/zinc/55/15/34/556551534.db2.gz AYXDASFXZLXDDL-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679219 556555718 /nfs/dbraw/zinc/55/57/18/556555718.db2.gz IAGHSJHNFQCEKH-OAHLLOKOSA-N 0 0 447.428 4.374 40 0 IIABRN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013681660 556557036 /nfs/dbraw/zinc/55/70/36/556557036.db2.gz LDOTUXZAPHSGAC-UHFFFAOYSA-N 0 0 436.577 4.453 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1 ZINC000013682277 556557428 /nfs/dbraw/zinc/55/74/28/556557428.db2.gz RWCKMTLDDJWCPL-UHFFFAOYSA-N 0 0 438.505 4.128 40 0 IIABRN COc1ccc([C@@H]2C[C@](O)(c3ccc(OC)c(OC)c3)SCCSC2=N)cc1OC ZINC000033689684 556566801 /nfs/dbraw/zinc/56/68/01/556566801.db2.gz SHHXYJGRXUUZFH-KSFYIVLOSA-N 0 0 449.594 4.497 40 0 IIABRN CC[C@H](C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000036067590 556592204 /nfs/dbraw/zinc/59/22/04/556592204.db2.gz QUBFRFKTGGTZMW-DNQXCXABSA-N 0 0 436.577 4.445 40 0 IIABRN COc1ccc(NC(=O)c2ccc(I)cc2)cc1Br ZINC000016226639 556592718 /nfs/dbraw/zinc/59/27/18/556592718.db2.gz UMFONWVRUZJCBW-UHFFFAOYSA-N 0 0 432.055 4.315 40 0 IIABRN Cc1ccc(Nc2nc3nonc3nc2Nc2c3c(sc2C(N)=O)CCCC3)c(C)c1 ZINC000016284984 556597479 /nfs/dbraw/zinc/59/74/79/556597479.db2.gz LASNPKXIBOHZCS-UHFFFAOYSA-N 0 0 435.513 4.156 40 0 IIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1Cl ZINC000100901550 556599743 /nfs/dbraw/zinc/59/97/43/556599743.db2.gz KIOTYXJJIYNXKL-FKBYEOEOSA-N 0 0 434.879 4.405 40 0 IIABRN Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000100901017 556599886 /nfs/dbraw/zinc/59/98/86/556599886.db2.gz QDYNHOKMRBDKAV-XWGVYQGASA-N 0 0 428.488 4.369 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1c(Cl)cccc1Cl ZINC000016384065 556604320 /nfs/dbraw/zinc/60/43/20/556604320.db2.gz VOAJPAHUVWOOBV-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN O=c1/c(=C\c2ccccc2Cl)sc2n1N=C(c1ccccc1)[C@H](c1ccccc1)N=2 ZINC000016478133 556610968 /nfs/dbraw/zinc/61/09/68/556610968.db2.gz SLFFLRWXOPQXDY-MEPUESOJSA-N 0 0 429.932 4.019 40 0 IIABRN Cc1ccccc1CN(c1ccc(C(=O)NCc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000038752818 556616260 /nfs/dbraw/zinc/61/62/60/556616260.db2.gz QNYAVEVWNFGLHP-UHFFFAOYSA-N 0 0 426.513 4.030 40 0 IIABRN CCSc1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000038753541 556616347 /nfs/dbraw/zinc/61/63/47/556616347.db2.gz OMKHSMJHAIVPLV-CYBMUJFWSA-N 0 0 442.990 4.254 40 0 IIABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2Cl)CC1 ZINC000016681562 556624129 /nfs/dbraw/zinc/62/41/29/556624129.db2.gz UYPWPZYETGLZIA-UHFFFAOYSA-N 0 0 431.005 4.226 40 0 IIABRN CCC(CC)C(=O)N1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289226 556625493 /nfs/dbraw/zinc/62/54/93/556625493.db2.gz GIEHUONDSLOAMJ-IRLDBZIGSA-N 0 0 428.479 4.112 40 0 biogenic,in-vitro IIABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C(C)C)cc1Cl ZINC000016692559 556627637 /nfs/dbraw/zinc/62/76/37/556627637.db2.gz KRZBZTAGQKQJKF-UHFFFAOYSA-N 0 0 438.977 4.430 40 0 IIABRN C[C@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCc2ccccc2)n2c3ccccc3nc21 ZINC000039964071 556631390 /nfs/dbraw/zinc/63/13/90/556631390.db2.gz FBCJMFPGNQQYHP-AVCGJXAMSA-N 0 0 430.552 4.252 40 0 IIABRN CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000039985752 556632230 /nfs/dbraw/zinc/63/22/30/556632230.db2.gz ZIDWTUKPCVQGDM-UHFFFAOYSA-N 0 0 438.830 4.147 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000039986198 556632738 /nfs/dbraw/zinc/63/27/38/556632738.db2.gz HECQQEXBLSGDTH-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000039986813 556633204 /nfs/dbraw/zinc/63/32/04/556633204.db2.gz ZTDKMYCZZPAWAX-UHFFFAOYSA-N 0 0 439.375 4.051 40 0 IIABRN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040387921 556636348 /nfs/dbraw/zinc/63/63/48/556636348.db2.gz QWYLIFKYKLVLSD-UHFFFAOYSA-N 0 0 443.894 4.311 40 0 IIABRN Cc1nn2c(ncc3c(=O)n(NC(=O)c4ccc(F)cc4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397718 556639730 /nfs/dbraw/zinc/63/97/30/556639730.db2.gz GAOZRWXWAIITJX-UHFFFAOYSA-N 0 0 447.857 4.196 40 0 IIABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000017095383 556658844 /nfs/dbraw/zinc/65/88/44/556658844.db2.gz DPPFPKXGSQNFSS-CCEZHUSRSA-N 0 0 427.485 4.014 40 0 IIABRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000017096658 556660518 /nfs/dbraw/zinc/66/05/18/556660518.db2.gz CGHCHMNPKXIXGV-GFCCVEGCSA-N 0 0 429.611 4.396 40 0 IIABRN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)NCc1ccccc1 ZINC000013914355 556662095 /nfs/dbraw/zinc/66/20/95/556662095.db2.gz UYTQNFFVQAQYOI-STZFKDTASA-N 0 0 428.488 4.273 40 0 IIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000017099568 556664701 /nfs/dbraw/zinc/66/47/01/556664701.db2.gz DCTDKMZXXREZOW-UHFFFAOYSA-N 0 0 435.505 4.083 40 0 IIABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(Cl)c1 ZINC000044838935 556668070 /nfs/dbraw/zinc/66/80/70/556668070.db2.gz DBWIAZVWPKZMGX-UHFFFAOYSA-N 0 0 449.960 4.026 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000044849438 556670255 /nfs/dbraw/zinc/67/02/55/556670255.db2.gz UTFVJWSOYHGBMS-IBGZPJMESA-N 0 0 438.549 4.076 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc(C)cc1 ZINC000044880457 556674189 /nfs/dbraw/zinc/67/41/89/556674189.db2.gz JDHFWPUOBAZYPQ-JOCHJYFZSA-N 0 0 449.016 4.458 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000044901500 556678071 /nfs/dbraw/zinc/67/80/71/556678071.db2.gz RXVNJJGBJGRQOS-SFHVURJKSA-N 0 0 449.016 4.376 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c(C)c1 ZINC000044935087 556682445 /nfs/dbraw/zinc/68/24/45/556682445.db2.gz UVYGJQKHXWSGJQ-VGSWGCGISA-N 0 0 444.597 4.005 40 0 IIABRN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000018703158 556690512 /nfs/dbraw/zinc/69/05/12/556690512.db2.gz ZCDSFUMJLXDVLQ-UHFFFAOYSA-N 0 0 442.566 4.022 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)Cc1ccccc1 ZINC000000676505 556690601 /nfs/dbraw/zinc/69/06/01/556690601.db2.gz VYRKNMZUZCEHPZ-UHFFFAOYSA-N 0 0 426.469 4.416 40 0 IIABRN COC(=O)CSc1nnc(COc2cccc3ccccc32)n1-c1ccc(OC)cc1 ZINC000000676180 556691886 /nfs/dbraw/zinc/69/18/86/556691886.db2.gz YUQGVZPFIYRVDQ-UHFFFAOYSA-N 0 0 435.505 4.273 40 0 IIABRN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000000796212 556695075 /nfs/dbraw/zinc/69/50/75/556695075.db2.gz JZZTYDLAQIFJOO-UHFFFAOYSA-N 0 0 436.430 4.214 40 0 IIABRN C[C@H](C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1ccnc1 ZINC000019078419 556695537 /nfs/dbraw/zinc/69/55/37/556695537.db2.gz SXUDVIRELYDJDL-ZIAGYGMSSA-N 0 0 435.475 4.388 40 0 IIABRN CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 ZINC000019081433 556696008 /nfs/dbraw/zinc/69/60/08/556696008.db2.gz BFUMKXZLLGVYRN-DEOSSOPVSA-N 0 0 439.575 4.007 40 0 IIABRN CC(=O)Nc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000000800304 556696367 /nfs/dbraw/zinc/69/63/67/556696367.db2.gz BVTFCWSDXTUFBT-ZMNABIIRSA-N 0 0 431.536 4.283 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000000806909 556697272 /nfs/dbraw/zinc/69/72/72/556697272.db2.gz VRXDUPCNUMOEHV-UHFFFAOYSA-N 0 0 443.352 4.041 40 0 IIABRN Cc1cc(C(=O)N2CCC(Cn3cnc4ccccc43)(OCc3ccccc3)CC2)on1 ZINC000019119676 556700616 /nfs/dbraw/zinc/70/06/16/556700616.db2.gz AYTDWCYDEIMWGN-UHFFFAOYSA-N 0 0 430.508 4.225 40 0 IIABRN Cc1cc(-c2cnc(N3CCC(NC(=O)CCc4ccccc4)CC3)nc2C2CC2)on1 ZINC000019121716 556701220 /nfs/dbraw/zinc/70/12/20/556701220.db2.gz SXZIYCIGPCJDSU-UHFFFAOYSA-N 0 0 431.540 4.035 40 0 IIABRN Cc1nccn1Cc1cccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)c1 ZINC000257312931 556703493 /nfs/dbraw/zinc/70/34/93/556703493.db2.gz UQGKRIKRFWKQTN-RSXGOPAZSA-N 0 0 449.526 4.222 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@@H](C)Oc3ccccc3F)CC1)N2 ZINC000019128408 556703768 /nfs/dbraw/zinc/70/37/68/556703768.db2.gz JAXRIAXSQBRAQJ-FHLIZLRMSA-N 0 0 436.478 4.027 40 0 IIABRN Cc1ccc([C@H](C)C(=O)N2CCC[C@H]2c2nn(C)cc2-c2ccnc(N3CCCC3)n2)cc1 ZINC000019135986 556706335 /nfs/dbraw/zinc/70/63/35/556706335.db2.gz MWEKZIVRQZOCQC-CVDCTZTESA-N 0 0 444.583 4.253 40 0 IIABRN C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1-c1ccncc1 ZINC000257225164 556708320 /nfs/dbraw/zinc/70/83/20/556708320.db2.gz FFCSNDYOFRIUCW-UUOWRZLLSA-N 0 0 447.966 4.150 40 0 IIABRN O=C(CN1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc(OC(F)F)cc1 ZINC000257230820 556708911 /nfs/dbraw/zinc/70/89/11/556708911.db2.gz GEBMKIORUWCPAU-XUZZJYLKSA-N 0 0 446.494 4.067 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4nccc5ccccc54)o3)C2)cc1 ZINC000019211389 556709139 /nfs/dbraw/zinc/70/91/39/556709139.db2.gz RDIONLGNYUYOQL-GOSISDBHSA-N 0 0 434.521 4.162 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242355 556710290 /nfs/dbraw/zinc/71/02/90/556710290.db2.gz ICBVTRQQQDWWMW-GGAORHGYSA-N 0 0 448.485 4.484 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019212806 556710544 /nfs/dbraw/zinc/71/05/44/556710544.db2.gz WYBHHNPKZQDJHS-HHHXNRCGSA-N 0 0 427.548 4.268 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)cn1 ZINC000019214839 556711367 /nfs/dbraw/zinc/71/13/67/556711367.db2.gz HYSMOXMGCOPIRA-FGTMMUONSA-N 0 0 431.531 4.427 40 0 IIABRN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccnc(Oc2ccccc2F)c1 ZINC000257256788 556712066 /nfs/dbraw/zinc/71/20/66/556712066.db2.gz KMXRIZQLRSMMJI-NRFANRHFSA-N 0 0 449.482 4.067 40 0 IIABRN 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556714780 /nfs/dbraw/zinc/71/47/80/556714780.db2.gz OHJBTQKTUMGADF-SANMLTNESA-N 0 0 433.552 4.247 40 0 IIABRN O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@]2(CN(c3ccccc3)C(=O)O2)C1 ZINC000257293406 556716834 /nfs/dbraw/zinc/71/68/34/556716834.db2.gz QPIQXFQONAZOJU-AREMUKBSSA-N 0 0 443.503 4.298 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccc(C)c2)C1 ZINC000019234662 556719103 /nfs/dbraw/zinc/71/91/03/556719103.db2.gz UEUJQOGVSIDUME-NDEPHWFRSA-N 0 0 441.575 4.197 40 0 IIABRN CCOc1ccc(N([C@@H](C)C(=O)N[C@H](CC)c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000260455517 556720842 /nfs/dbraw/zinc/72/08/42/556720842.db2.gz ZVYKKCOFJIADKV-PGRDOPGGSA-N 0 0 432.586 4.124 40 0 IIABRN Cc1cc2ccccc2n1CCC(=O)N1CCO[C@@H](c2nc(-c3ccccc3C)no2)C1 ZINC000019237492 556722389 /nfs/dbraw/zinc/72/23/89/556722389.db2.gz KVHCWUDOSIRFOW-JOCHJYFZSA-N 0 0 430.508 4.298 40 0 IIABRN COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)c1OC ZINC000000867221 556724930 /nfs/dbraw/zinc/72/49/30/556724930.db2.gz 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COc1ccc2cc(CN(Cc3ccco3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000000883257 556733709 /nfs/dbraw/zinc/73/37/09/556733709.db2.gz GBXZYELRQHYNMS-UHFFFAOYSA-N 0 0 433.533 4.207 40 0 IIABRN Cc1cc(C)c2cc(CN(Cc3cccs3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000000884667 556735020 /nfs/dbraw/zinc/73/50/20/556735020.db2.gz XFKRGLVEAZATQQ-GOSISDBHSA-N 0 0 441.622 4.262 40 0 IIABRN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nnc(-c2cccs2)o1 ZINC000019331135 556736947 /nfs/dbraw/zinc/73/69/47/556736947.db2.gz DHOFAHBWBVLIET-ZDUSSCGKSA-N 0 0 429.445 4.343 40 0 IIABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NC1CCCCC1)C1CCCC1)OCCO3 ZINC000000891202 556739721 /nfs/dbraw/zinc/73/97/21/556739721.db2.gz AKAXSWKKINCDOF-UHFFFAOYSA-N 0 0 441.597 4.251 40 0 IIABRN COc1cc2cc(CN(C(=S)NCC(C)C)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000000895377 556740993 /nfs/dbraw/zinc/74/09/93/556740993.db2.gz ZAIDFXHACADFJX-UHFFFAOYSA-N 0 0 431.602 4.211 40 0 IIABRN CCn1c(CNc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C ZINC000000899035 556741310 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4.322 40 0 IIABRN Cc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)cc2c1 ZINC000000923795 556751646 /nfs/dbraw/zinc/75/16/46/556751646.db2.gz QADDNTGUHQJQKS-UHFFFAOYSA-N 0 0 428.529 4.499 40 0 IIABRN O=C(COc1ccc(F)cc1F)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376450 556752130 /nfs/dbraw/zinc/75/21/30/556752130.db2.gz KWUUEQLWIJXYDG-GOSISDBHSA-N 0 0 436.418 4.306 40 0 IIABRN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376501 556752418 /nfs/dbraw/zinc/75/24/18/556752418.db2.gz UDAOZWGCYWPYKQ-SFHVURJKSA-N 0 0 440.912 4.464 40 0 IIABRN O=C(Cc1ccccn1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C1CCCCC1 ZINC000019401225 556753958 /nfs/dbraw/zinc/75/39/58/556753958.db2.gz UQMRUBCWSJZUKA-DNVJHFABSA-N 0 0 437.609 4.109 40 0 IIABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)cc1 ZINC000000928543 556754322 /nfs/dbraw/zinc/75/43/22/556754322.db2.gz XTVCOQPSIXGYES-UHFFFAOYSA-N 0 0 449.536 4.279 40 0 IIABRN COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc5c(s4)CCCC5)n3c2c1 ZINC000000928444 556754487 /nfs/dbraw/zinc/75/44/87/556754487.db2.gz YYDXNHXHCMHNOS-UHFFFAOYSA-N 0 0 439.566 4.266 40 0 IIABRN COc1cc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)ccc1NC(C)=O ZINC000000928774 556754797 /nfs/dbraw/zinc/75/47/97/556754797.db2.gz FCNDEFILKMYLJR-UHFFFAOYSA-N 0 0 446.916 4.277 40 0 IIABRN CCOc1ccc(OCC)c(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)c1 ZINC000000931308 556756498 /nfs/dbraw/zinc/75/64/98/556756498.db2.gz YVBUSCSRGQXPAG-UHFFFAOYSA-N 0 0 443.525 4.197 40 0 IIABRN CC(C)Cc1cc(C(=O)N2CC[C@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)[nH]n1 ZINC000019447387 556756614 /nfs/dbraw/zinc/75/66/14/556756614.db2.gz NFHXWDWAIBGPNX-AWEZNQCLSA-N 0 0 448.493 4.423 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC3CCCCC3)cc2c1 ZINC000000931492 556757113 /nfs/dbraw/zinc/75/71/13/556757113.db2.gz IYIJUBQQHXZATN-NRFANRHFSA-N 0 0 427.614 4.333 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019448871 556758761 /nfs/dbraw/zinc/75/87/61/556758761.db2.gz 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COc1ccccc1C(=O)N1CCC(c2nc(NC(C)C)ncc2-c2ccccn2)CC1 ZINC000019450290 556761336 /nfs/dbraw/zinc/76/13/36/556761336.db2.gz VNZVXBVPZXBGHN-UHFFFAOYSA-N 0 0 431.540 4.387 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000019451729 556762467 /nfs/dbraw/zinc/76/24/67/556762467.db2.gz GPFOBQMEKPBSNZ-DEOSSOPVSA-N 0 0 436.581 4.083 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000019451781 556762681 /nfs/dbraw/zinc/76/26/81/556762681.db2.gz MZZWMQPBEROVLE-MHZLTWQESA-N 0 0 444.579 4.411 40 0 IIABRN CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cnn(C(C)C)c2)nc(C2CC2)n1 ZINC000019454954 556765241 /nfs/dbraw/zinc/76/52/41/556765241.db2.gz KPTFABAQDCTLCO-NRFANRHFSA-N 0 0 443.555 4.368 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H](C)c2ccccc2)C1 ZINC000019459135 556766412 /nfs/dbraw/zinc/76/64/12/556766412.db2.gz QQPMRPLHXGTQHB-PIKZIKFNSA-N 0 0 441.575 4.450 40 0 IIABRN COc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@H]1CCCO1 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IIABRN COc1ccc(OC)c(C(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 ZINC000001346467 556779647 /nfs/dbraw/zinc/77/96/47/556779647.db2.gz ATLCKGDRRKPGKV-UHFFFAOYSA-N 0 0 440.912 4.461 40 0 IIABRN CCc1ccc2c(c1)cc(CN(C(=S)NCc1ccco1)C1CCCC1)c1nnnn12 ZINC000001346606 556779885 /nfs/dbraw/zinc/77/98/85/556779885.db2.gz GRZYBNZAMMVIBJ-UHFFFAOYSA-N 0 0 434.569 4.252 40 0 IIABRN CCc1cc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](CC)N4)CC2)no1 ZINC000019522598 556780049 /nfs/dbraw/zinc/78/00/49/556780049.db2.gz DBPXMUFEPMKJBS-CXAGYDPISA-N 0 0 425.455 4.151 40 0 IIABRN CCN(C(=O)CSc1nnc(-c2ccccc2Br)o1)c1nc(C)cs1 ZINC000001350558 556780468 /nfs/dbraw/zinc/78/04/68/556780468.db2.gz HAJPSAYMYTYNHG-UHFFFAOYSA-N 0 0 439.360 4.409 40 0 IIABRN COc1cccc(-c2csc(N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)n2)c1 ZINC000001349778 556780520 /nfs/dbraw/zinc/78/05/20/556780520.db2.gz VRZSMMUXSUIYKN-UHFFFAOYSA-N 0 0 436.581 4.196 40 0 IIABRN CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c1C ZINC000019524019 556781339 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444.579 4.123 40 0 IIABRN COc1ccc(NC(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000001371266 556784078 /nfs/dbraw/zinc/78/40/78/556784078.db2.gz GXBPLSOAOVKCMS-OAQYLSRUSA-N 0 0 435.524 4.367 40 0 IIABRN CCN(CC)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccncc2)C1 ZINC000019526184 556784284 /nfs/dbraw/zinc/78/42/84/556784284.db2.gz DNBIZHFUEPZTGL-HHHXNRCGSA-N 0 0 442.563 4.087 40 0 IIABRN CCN(CC)c1cc(C2CCN(C(=O)c3ccc(C)c(F)c3)CC2)nc(-c2cnccn2)n1 ZINC000019526485 556784615 /nfs/dbraw/zinc/78/46/15/556784615.db2.gz JIRUCFVOXNIFHI-UHFFFAOYSA-N 0 0 448.546 4.247 40 0 IIABRN CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000019526674 556785094 /nfs/dbraw/zinc/78/50/94/556785094.db2.gz HYMJAAAAJAMIPK-UHFFFAOYSA-N 0 0 434.515 4.164 40 0 IIABRN CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1 ZINC000019526669 556785183 /nfs/dbraw/zinc/78/51/83/556785183.db2.gz NMGZGTRFFXEBGT-UHFFFAOYSA-N 0 0 430.552 4.415 40 0 IIABRN Cc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001373151 556785669 /nfs/dbraw/zinc/78/56/69/556785669.db2.gz HDBRYXOCOLNEOA-UHFFFAOYSA-N 0 0 446.555 4.108 40 0 IIABRN CCN1CCN(C(=O)c2cccc(F)c2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019527585 556786287 /nfs/dbraw/zinc/78/62/87/556786287.db2.gz ZKLVOGBWMDQPDM-QHCPKHFHSA-N 0 0 431.511 4.051 40 0 IIABRN COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)CCc2ccccc2)cc1 ZINC000001359824 556786598 /nfs/dbraw/zinc/78/65/98/556786598.db2.gz ZLAHOABMJGNOSG-UHFFFAOYSA-N 0 0 441.531 4.136 40 0 IIABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C[C@@H]2CCCO2)cc1 ZINC000001361129 556787834 /nfs/dbraw/zinc/78/78/34/556787834.db2.gz LWVXOXVSSBMBGX-SFHVURJKSA-N 0 0 426.542 4.319 40 0 IIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 ZINC000019528546 556788066 /nfs/dbraw/zinc/78/80/66/556788066.db2.gz GMKBHMHVUKQRIB-MUUNZHRXSA-N 0 0 441.575 4.279 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2c(C)noc2C)C1 ZINC000019528963 556789741 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435.940 4.369 40 0 IIABRN COc1ccc(-c2nsc3c2ncnc3N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000001370799 556792715 /nfs/dbraw/zinc/79/27/15/556792715.db2.gz ZBHUNBKUGXAXCU-UHFFFAOYSA-N 0 0 445.548 4.033 40 0 IIABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374318 556792914 /nfs/dbraw/zinc/79/29/14/556792914.db2.gz JITGRVWWRXJBNO-HSZRJFAPSA-N 0 0 446.555 4.360 40 0 IIABRN O=C1N[C@@H](c2ccccc2Cl)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000001464513 556792957 /nfs/dbraw/zinc/79/29/57/556792957.db2.gz RWECVCFVBJZYFD-JKIFEVAISA-N 0 0 433.213 4.097 40 0 IIABRN CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 ZINC000019533126 556793046 /nfs/dbraw/zinc/79/30/46/556793046.db2.gz CWKVJFDGXVXZCF-HSZRJFAPSA-N 0 0 445.567 4.300 40 0 IIABRN CCOc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)cc1 ZINC000019533336 556793231 /nfs/dbraw/zinc/79/32/31/556793231.db2.gz PKSGGBVAELICNF-JOCHJYFZSA-N 0 0 427.545 4.085 40 0 IIABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n21)CCCC3 ZINC000001376471 556793523 /nfs/dbraw/zinc/79/35/23/556793523.db2.gz BKEKJBAFSCFEJM-UHFFFAOYSA-N 0 0 441.582 4.343 40 0 IIABRN CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnc(C)nc2C)C1 ZINC000019552432 556796257 /nfs/dbraw/zinc/79/62/57/556796257.db2.gz VDDVMHDAKUYZKC-RUZDIDTESA-N 0 0 448.592 4.033 40 0 IIABRN Cc1c(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)cnn1C ZINC000019553283 556797282 /nfs/dbraw/zinc/79/72/82/556797282.db2.gz CRPWMQGDRODKRC-CYBMUJFWSA-N 0 0 435.475 4.286 40 0 IIABRN Cc1nn(CCC(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c(C)c1C ZINC000019557075 556799466 /nfs/dbraw/zinc/79/94/66/556799466.db2.gz FKGRTJVQFLAFCT-INIZCTEOSA-N 0 0 449.477 4.468 40 0 IIABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1OC ZINC000019557169 556799494 /nfs/dbraw/zinc/79/94/94/556799494.db2.gz IOYHCPVEUGXEHR-QIHUWEDASA-N 0 0 425.573 4.304 40 0 IIABRN COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1OC ZINC000019557172 556799571 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Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000019766975 556912248 /nfs/dbraw/zinc/91/22/48/556912248.db2.gz JDBVEAKCCAHUJN-JOCHJYFZSA-N 0 0 438.547 4.283 40 0 IIABRN Cc1cc2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc(C(F)(F)F)n2n1 ZINC000072340809 556912516 /nfs/dbraw/zinc/91/25/16/556912516.db2.gz HGOQOYQGTZKOLQ-UHFFFAOYSA-N 0 0 441.457 4.487 40 0 IIABRN Cc1nn(C)cc1C(=O)N1CCC(c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)CC1 ZINC000072341076 556913466 /nfs/dbraw/zinc/91/34/66/556913466.db2.gz ARLLUUDCILJBDY-UHFFFAOYSA-N 0 0 448.493 4.107 40 0 IIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O ZINC000409010777 556917903 /nfs/dbraw/zinc/91/79/03/556917903.db2.gz LGBGURHLJQZWES-BXUJETTOSA-N 0 0 429.469 4.393 40 0 IIABRN CCOc1ccc(C2=N/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)C(=O)O2)cc1 ZINC000409008786 556919114 /nfs/dbraw/zinc/91/91/14/556919114.db2.gz HTUCMYYZSQASPR-PGMHBOJBSA-N 0 0 449.484 4.198 40 0 IIABRN Cc1nc(CC(=O)N2CCC(n3c4ccccc4oc3=O)CC2)c(-c2ccccc2)s1 ZINC000072347853 556919200 /nfs/dbraw/zinc/91/92/00/556919200.db2.gz QLQRYKPTZYTGPU-UHFFFAOYSA-N 0 0 433.533 4.433 40 0 IIABRN CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)c1C ZINC000072350179 556920464 /nfs/dbraw/zinc/92/04/64/556920464.db2.gz ORAIILDMJODSFB-SFHVURJKSA-N 0 0 444.988 4.495 40 0 IIABRN COC(=O)c1c(C)nc2ccn(-c3cccc(OC)c3)c(=O)c2c1-c1ccc(OC)cc1 ZINC000019819268 556922445 /nfs/dbraw/zinc/92/24/45/556922445.db2.gz FBAMZRGMQMGIKZ-UHFFFAOYSA-N 0 0 430.460 4.165 40 0 IIABRN CCOC(=O)c1sc(Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)nc1C ZINC000019819584 556922816 /nfs/dbraw/zinc/92/28/16/556922816.db2.gz OOEQFCOCJPNMRB-UHFFFAOYSA-N 0 0 436.946 4.401 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000019820272 556923648 /nfs/dbraw/zinc/92/36/48/556923648.db2.gz FJIPLVBDYOVJOG-XZOQPEGZSA-N 0 0 443.478 4.491 40 0 IIABRN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1C ZINC000409019293 556923781 /nfs/dbraw/zinc/92/37/81/556923781.db2.gz WHOBCIGBTHKVIN-UHFFFAOYSA-N 0 0 427.526 4.301 40 0 IIABRN CCc1nn2c(nnc3c2ccn(-c2cccc(OC)c2)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821574 556924689 /nfs/dbraw/zinc/92/46/89/556924689.db2.gz WMKZDGVIFCEAIJ-UHFFFAOYSA-N 0 0 431.883 4.320 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2ncccc2C)cn1 ZINC000072353164 556925649 /nfs/dbraw/zinc/92/56/49/556925649.db2.gz LESKXHYMJQCBEX-IBGZPJMESA-N 0 0 442.516 4.202 40 0 IIABRN CC1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000409025926 556925825 /nfs/dbraw/zinc/92/58/25/556925825.db2.gz ARZXBEYNOFLUML-UHFFFAOYSA-N 0 0 441.380 4.447 40 0 IIABRN CCc1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000409027193 556926442 /nfs/dbraw/zinc/92/64/42/556926442.db2.gz BWMPGLLEYCUXIC-UHFFFAOYSA-N 0 0 438.549 4.400 40 0 IIABRN O=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358102 556931608 /nfs/dbraw/zinc/93/16/08/556931608.db2.gz ZRSSYZGIOLFOSH-FQEVSTJZSA-N 0 0 427.426 4.357 40 0 IIABRN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860723 556933138 /nfs/dbraw/zinc/93/31/38/556933138.db2.gz QRGYHLWNHSVZPK-OAHLLOKOSA-N 0 0 427.353 4.174 40 0 IIABRN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccnc3ccccc23)CCO1 ZINC000072370249 556934327 /nfs/dbraw/zinc/93/43/27/556934327.db2.gz XQABTACBHMFPCJ-FQEVSTJZSA-N 0 0 432.549 4.120 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000019867880 556934831 /nfs/dbraw/zinc/93/48/31/556934831.db2.gz VNQKDVVRVMRQLC-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)C1CCCC1)N1CCOCC1 ZINC000072370534 556935283 /nfs/dbraw/zinc/93/52/83/556935283.db2.gz WPEOPORWEXUHTD-LJQANCHMSA-N 0 0 440.609 4.488 40 0 IIABRN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1c1nc(C)cc(C)n1 ZINC000072370541 556935295 /nfs/dbraw/zinc/93/52/95/556935295.db2.gz PQKJGJIAHTUPAT-GOSISDBHSA-N 0 0 438.597 4.286 40 0 IIABRN CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000409064190 556940877 /nfs/dbraw/zinc/94/08/77/556940877.db2.gz OGQDLCADTXPLLX-UHFFFAOYSA-N 0 0 448.563 4.008 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccc(F)cc2)cc1 ZINC000409061331 556943247 /nfs/dbraw/zinc/94/32/47/556943247.db2.gz ZGGZRFOVCRGYNT-UHFFFAOYSA-N 0 0 444.572 4.332 40 0 IIABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1Br ZINC000409076120 556944046 /nfs/dbraw/zinc/94/40/46/556944046.db2.gz XZVYWJSQRBNNPK-BVLLQVSASA-N 0 0 442.331 4.224 40 0 IIABRN Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 ZINC000072372741 556944074 /nfs/dbraw/zinc/94/40/74/556944074.db2.gz ASPMARZCUGNVJU-LJQANCHMSA-N 0 0 438.507 4.470 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccccn2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000072373824 556946914 /nfs/dbraw/zinc/94/69/14/556946914.db2.gz JWDPPCUYFDCKJT-QFIPXVFZSA-N 0 0 431.515 4.249 40 0 IIABRN CCOc1cc2c(cc1/C=C1/NC(=O)N(Cc3ccc(Cl)cc3Cl)C1=O)OCO2 ZINC000409083427 556948037 /nfs/dbraw/zinc/94/80/37/556948037.db2.gz ALZAZNKMJYVLEJ-PJQLUOCWSA-N 0 0 435.263 4.214 40 0 IIABRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000019931645 556948956 /nfs/dbraw/zinc/94/89/56/556948956.db2.gz FDHOMACMYRGZMG-QHCPKHFHSA-N 0 0 442.968 4.320 40 0 IIABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1OCc1ccccc1 ZINC000409086903 556950666 /nfs/dbraw/zinc/95/06/66/556950666.db2.gz HWLXLGBKLIDWHL-NPRIEWAGSA-N 0 0 441.505 4.262 40 0 IIABRN COc1cccc(CN(C)CC(=O)N2CCC[C@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375864 556953243 /nfs/dbraw/zinc/95/32/43/556953243.db2.gz GSHCYROSXKDTNQ-FQEVSTJZSA-N 0 0 437.569 4.086 40 0 IIABRN Cc1cccc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)Cc3ccccc3Cl)n2)n1 ZINC000072376369 556954679 /nfs/dbraw/zinc/95/46/79/556954679.db2.gz LHOPGWMIYRPQFC-IBGZPJMESA-N 0 0 443.960 4.244 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)o1 ZINC000072376659 556955382 /nfs/dbraw/zinc/95/53/82/556955382.db2.gz QLQYXBOSHBKLEM-KRWDZBQOSA-N 0 0 439.947 4.488 40 0 IIABRN COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)cc1OC ZINC000409101100 556955531 /nfs/dbraw/zinc/95/55/31/556955531.db2.gz VFKHLMOALMQWAV-PJSUUKDQSA-N 0 0 428.451 4.229 40 0 IIABRN Cc1nc(CC(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cs1 ZINC000072377167 556956044 /nfs/dbraw/zinc/95/60/44/556956044.db2.gz NGLMUQJTMBTIBF-GOSISDBHSA-N 0 0 427.961 4.440 40 0 IIABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020004386 556957908 /nfs/dbraw/zinc/95/79/08/556957908.db2.gz NYRUNYZMCRYLNA-QHCPKHFHSA-N 0 0 436.577 4.449 40 0 IIABRN Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)COc4ccccc4)C3)nc(C)n2)s1 ZINC000072382307 556958411 /nfs/dbraw/zinc/95/84/11/556958411.db2.gz VLPHZEDYWSWHGD-GOSISDBHSA-N 0 0 437.569 4.154 40 0 IIABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000409106268 556958871 /nfs/dbraw/zinc/95/88/71/556958871.db2.gz QSSZUTQMIJLMDS-HZHRSRAPSA-N 0 0 441.487 4.105 40 0 IIABRN O=C(Nc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007826 556959004 /nfs/dbraw/zinc/95/90/04/556959004.db2.gz CTVSBMYKFHHBCR-HXUWFJFHSA-N 0 0 432.904 4.007 40 0 IIABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000020007868 556959131 /nfs/dbraw/zinc/95/91/31/556959131.db2.gz CNVFIRATQWZNAG-NRFANRHFSA-N 0 0 446.931 4.316 40 0 IIABRN CCCn1ncc(C[NH+]2CCC(C[C@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c1C ZINC000072389726 556959827 /nfs/dbraw/zinc/95/98/27/556959827.db2.gz VGBBNZXIFKXXAD-OAQYLSRUSA-N 0 0 438.572 4.160 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(F)ccc2C)cc1 ZINC000020010462 556960362 /nfs/dbraw/zinc/96/03/62/556960362.db2.gz SOTAQQGKRMWGSU-UHFFFAOYSA-N 0 0 440.540 4.315 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000020011022 556960422 /nfs/dbraw/zinc/96/04/22/556960422.db2.gz ZSDSSJUNNDESJZ-KRWDZBQOSA-N 0 0 448.560 4.035 40 0 IIABRN Cc1n[nH]cc1C(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)NC(C)C)C1 ZINC000072391083 556961550 /nfs/dbraw/zinc/96/15/50/556961550.db2.gz HSLCMJDHIYUVPN-SANMLTNESA-N 0 0 448.542 4.124 40 0 IIABRN C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc3ccccc32)n1C ZINC000409122687 556961955 /nfs/dbraw/zinc/96/19/55/556961955.db2.gz AUGRNVQDTAEGTA-MRXNPFEDSA-N 0 0 445.548 4.190 40 0 IIABRN O=C(NCc1ccccc1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000409131916 556963361 /nfs/dbraw/zinc/96/33/61/556963361.db2.gz PPXKSMMMZQMMEM-UHFFFAOYSA-N 0 0 428.473 4.419 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000020019925 556964162 /nfs/dbraw/zinc/96/41/62/556964162.db2.gz PQTYUGCAQOEQPK-QHCPKHFHSA-N 0 0 436.533 4.060 40 0 IIABRN COc1cccc(CNC(=O)C2(Cc3cc(-c4ccc(F)cc4F)no3)CCOCC2)c1 ZINC000072394548 556965865 /nfs/dbraw/zinc/96/58/65/556965865.db2.gz GNDDWDPZTPWURN-UHFFFAOYSA-N 0 0 442.462 4.284 40 0 IIABRN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000020024174 556966297 /nfs/dbraw/zinc/96/62/97/556966297.db2.gz SWDBLTKYKFGSFF-UHFFFAOYSA-N 0 0 446.466 4.493 40 0 IIABRN COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC000020025115 556966952 /nfs/dbraw/zinc/96/69/52/556966952.db2.gz GVCVPAVMJPDHOW-NRFANRHFSA-N 0 0 442.581 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436.577 4.378 40 0 IIABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222562914 557352539 /nfs/dbraw/zinc/35/25/39/557352539.db2.gz LLLGNQJGKTUJNJ-FQEVSTJZSA-N 0 0 444.597 4.268 40 0 IIABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC)cc1OCC ZINC000222575605 557354755 /nfs/dbraw/zinc/35/47/55/557354755.db2.gz WGAOEJWJMMAPQI-KRWDZBQOSA-N 0 0 446.975 4.233 40 0 IIABRN CCCCc1ccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000013586022 557356093 /nfs/dbraw/zinc/35/60/93/557356093.db2.gz NSPQXTVYARICOC-UHFFFAOYSA-N 0 0 446.594 4.485 40 0 IIABRN CCOc1ccc(N(CCCC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000222619534 557362816 /nfs/dbraw/zinc/36/28/16/557362816.db2.gz UNCWXYNSBBOVQN-UHFFFAOYSA-N 0 0 428.913 4.063 40 0 IIABRN Cc1cccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1C ZINC000222628036 557364886 /nfs/dbraw/zinc/36/48/86/557364886.db2.gz HUBVYYKMGMTNQM-UHFFFAOYSA-N 0 0 439.375 4.251 40 0 IIABRN CCc1ccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 ZINC000222639965 557367057 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40 0 IIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000222727786 557380091 /nfs/dbraw/zinc/38/00/91/557380091.db2.gz TVKJTSRUYQWZLG-LBPRGKRZSA-N 0 0 429.731 4.189 40 0 IIABRN CCOc1ccccc1NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000113961117 557381985 /nfs/dbraw/zinc/38/19/85/557381985.db2.gz CIFMISXSJKQGDO-UHFFFAOYSA-N 0 0 444.475 4.289 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1 ZINC000222760595 557383876 /nfs/dbraw/zinc/38/38/76/557383876.db2.gz FKWZQZCCIWIOQN-UHFFFAOYSA-N 0 0 437.348 4.229 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c(C)c1 ZINC000113971893 557384713 /nfs/dbraw/zinc/38/47/13/557384713.db2.gz QNQYQFONKREFGM-UYAOXDASSA-N 0 0 449.016 4.376 40 0 IIABRN C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000222773400 557385324 /nfs/dbraw/zinc/38/53/24/557385324.db2.gz OWWOERCHZTYOKX-IBGZPJMESA-N 0 0 436.939 4.453 40 0 IIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000222775168 557385600 /nfs/dbraw/zinc/38/56/00/557385600.db2.gz HNVAKUWDZDPXRM-LBPRGKRZSA-N 0 0 429.731 4.189 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2nc(N)ncc2-c2ccc(OC)cc2)cc1 ZINC000072354775 557387455 /nfs/dbraw/zinc/38/74/55/557387455.db2.gz CUVNHXCBISKHHK-QFIPXVFZSA-N 0 0 432.524 4.039 40 0 IIABRN COc1ccc(NC(=O)CN2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)cc1 ZINC000072376845 557388778 /nfs/dbraw/zinc/38/87/78/557388778.db2.gz BGIJRNXWFYIQFV-OAQYLSRUSA-N 0 0 435.503 4.039 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl ZINC000222835310 557391560 /nfs/dbraw/zinc/39/15/60/557391560.db2.gz WMRUXVDUAQCDIV-FQEVSTJZSA-N 0 0 432.948 4.059 40 0 IIABRN CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000013870932 557392061 /nfs/dbraw/zinc/39/20/61/557392061.db2.gz HNVYYGPMMQIQTN-OAHLLOKOSA-N 0 0 430.961 4.500 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000222837593 557392108 /nfs/dbraw/zinc/39/21/08/557392108.db2.gz PLQMUSRYLRAQQL-HSZRJFAPSA-N 0 0 440.584 4.331 40 0 IIABRN COCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222845913 557393186 /nfs/dbraw/zinc/39/31/86/557393186.db2.gz BDYLFVZGHDXVKD-MRXNPFEDSA-N 0 0 437.367 4.106 40 0 IIABRN O=C(NCc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000222852572 557394436 /nfs/dbraw/zinc/39/44/36/557394436.db2.gz GURNBHGBIWCPID-UHFFFAOYSA-N 0 0 428.941 4.208 40 0 IIABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)[nH]c(C)c1I ZINC000222861316 557395540 /nfs/dbraw/zinc/39/55/40/557395540.db2.gz DXXJUNYDFPWTFH-CVEARBPZSA-N 0 0 440.354 4.014 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc4ccccc43)CC2)c1 ZINC000222868953 557396187 /nfs/dbraw/zinc/39/61/87/557396187.db2.gz JQQXTFLFVPNMMR-UHFFFAOYSA-N 0 0 436.577 4.006 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccccc1 ZINC000222882572 557397791 /nfs/dbraw/zinc/39/77/91/557397791.db2.gz XJFOVWBRZQDRSV-QHCPKHFHSA-N 0 0 426.557 4.186 40 0 IIABRN COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222895829 557400170 /nfs/dbraw/zinc/40/01/70/557400170.db2.gz PCVGRNLLIUVJBD-QGZVFWFLSA-N 0 0 444.547 4.108 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C ZINC000222896906 557400218 /nfs/dbraw/zinc/40/02/18/557400218.db2.gz URRGXBWIEJSTRD-JOCHJYFZSA-N 0 0 426.557 4.023 40 0 IIABRN COc1cc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC ZINC000013995260 557401416 /nfs/dbraw/zinc/40/14/16/557401416.db2.gz BAHRPMBXLFOWIT-LHSJRXKWSA-N 0 0 439.537 4.370 40 0 IIABRN COC(=O)c1ccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(OC)cc2)cc1 ZINC000013995484 557402007 /nfs/dbraw/zinc/40/20/07/557402007.db2.gz IIVZEUXSSSUIND-XOBRGWDASA-N 0 0 437.521 4.139 40 0 IIABRN COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222918307 557402306 /nfs/dbraw/zinc/40/23/06/557402306.db2.gz JQGLOBVBOGILPB-LJQANCHMSA-N 0 0 434.511 4.111 40 0 IIABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1 ZINC000222916810 557402361 /nfs/dbraw/zinc/40/23/61/557402361.db2.gz LPSVMTVADFQQCQ-FQEVSTJZSA-N 0 0 448.538 4.153 40 0 IIABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222926143 557403935 /nfs/dbraw/zinc/40/39/35/557403935.db2.gz YRUCPRJDXXGGRI-GOSISDBHSA-N 0 0 448.966 4.370 40 0 IIABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)OC)c1 ZINC000222989805 557412854 /nfs/dbraw/zinc/41/28/54/557412854.db2.gz WMSJCKWLIOSFSX-VXKWHMMOSA-N 0 0 434.565 4.432 40 0 IIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222997812 557413529 /nfs/dbraw/zinc/41/35/29/557413529.db2.gz FZDMTRZZMHMLOD-PMACEKPBSA-N 0 0 435.578 4.101 40 0 IIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222999596 557413958 /nfs/dbraw/zinc/41/39/58/557413958.db2.gz QUAGLXKILKSGIQ-WOJBJXKFSA-N 0 0 430.936 4.284 40 0 IIABRN CC[C@H](C)NC(=O)Cn1c2ccc(F)cc2c2ncn(C[C@H](C)c3ccccc3)c(=O)c21 ZINC000014000767 557417213 /nfs/dbraw/zinc/41/72/13/557417213.db2.gz MPSWTSZOUOCGKU-IRXDYDNUSA-N 0 0 434.515 4.209 40 0 IIABRN CC[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223036975 557419155 /nfs/dbraw/zinc/41/91/55/557419155.db2.gz ULLMUEUZMHMUMI-HXUWFJFHSA-N 0 0 434.989 4.252 40 0 IIABRN CCOc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC)cc1OCC ZINC000223050986 557421510 /nfs/dbraw/zinc/42/15/10/557421510.db2.gz WWHCRYMMYGWBJW-QFIPXVFZSA-N 0 0 440.584 4.278 40 0 IIABRN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000223088301 557429431 /nfs/dbraw/zinc/42/94/31/557429431.db2.gz SZEOJEKJVBWSFO-UHFFFAOYSA-N 0 0 432.545 4.341 40 0 IIABRN C[C@@H](NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2)c1ccc(Cl)cc1 ZINC000223102568 557431582 /nfs/dbraw/zinc/43/15/82/557431582.db2.gz KBKCLSRHLUWXEZ-LLVKDONJSA-N 0 0 431.717 4.465 40 0 IIABRN CCCN1c2ccc(C(=O)Nc3ccccc3Br)cc2S(=O)(=O)N=C1C ZINC000223111373 557433002 /nfs/dbraw/zinc/43/30/02/557433002.db2.gz OMZVTHVHPRUKEI-UHFFFAOYSA-N 0 0 436.331 4.039 40 0 IIABRN CC[C@H](NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223113906 557433419 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IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223127853 557435692 /nfs/dbraw/zinc/43/56/92/557435692.db2.gz UGPQJACQFFKSHZ-VWLOTQADSA-N 0 0 430.548 4.150 40 0 IIABRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223144277 557438515 /nfs/dbraw/zinc/43/85/15/557438515.db2.gz KNMAJWIFJJGIEP-QHCPKHFHSA-N 0 0 426.582 4.231 40 0 IIABRN C[C@@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223171567 557441318 /nfs/dbraw/zinc/44/13/18/557441318.db2.gz XPDCKSQVZROFHN-CYBMUJFWSA-N 0 0 441.380 4.126 40 0 IIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCN1CCc2ccccc21 ZINC000223187934 557443182 /nfs/dbraw/zinc/44/31/82/557443182.db2.gz QZJFFZZKYNSXTE-NKFKGCMQSA-N 0 0 445.588 4.396 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000026115974 557444144 /nfs/dbraw/zinc/44/41/44/557444144.db2.gz NHKQHZUTVUJLAL-UHFFFAOYSA-N 0 0 439.002 4.167 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223192875 557444230 /nfs/dbraw/zinc/44/42/30/557444230.db2.gz OZKFNZGYPIPORN-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN Cc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)cc1C ZINC000014411425 557444582 /nfs/dbraw/zinc/44/45/82/557444582.db2.gz MOMRBPBKNWTNPJ-UHFFFAOYSA-N 0 0 430.476 4.416 40 0 IIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC(C)C ZINC000223195781 557444632 /nfs/dbraw/zinc/44/46/32/557444632.db2.gz GFLWOPFHANDHFR-QHCPKHFHSA-N 0 0 428.548 4.107 40 0 IIABRN COc1ccc2cc(S(=O)(=O)N(C)Cc3nc(-c4cccc(Cl)c4)no3)ccc2c1 ZINC000223203033 557445395 /nfs/dbraw/zinc/44/53/95/557445395.db2.gz MQFWLFWMUQRNBL-UHFFFAOYSA-N 0 0 443.912 4.373 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223210215 557446400 /nfs/dbraw/zinc/44/64/00/557446400.db2.gz ALSCSMWMDBIPDX-BTYIYWSLSA-N 0 0 434.989 4.251 40 0 IIABRN CCc1nn2c(nnc3c2C[C@H](c2cccs2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000014607808 557448016 /nfs/dbraw/zinc/44/80/16/557448016.db2.gz OHOBMMUUKACTTJ-AWEZNQCLSA-N 0 0 434.521 4.345 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC ZINC000223224816 557447972 /nfs/dbraw/zinc/44/79/72/557447972.db2.gz KTKIFMNQSPMFDP-FQEVSTJZSA-N 0 0 426.557 4.105 40 0 IIABRN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000223261392 557452293 /nfs/dbraw/zinc/45/22/93/557452293.db2.gz FDYCELQDVQLRIT-INIZCTEOSA-N 0 0 426.582 4.323 40 0 IIABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc2N1C(=O)c1ccccc1 ZINC000223267657 557453353 /nfs/dbraw/zinc/45/33/53/557453353.db2.gz RVEWSRKZRMEQPS-CQSZACIVSA-N 0 0 428.460 4.357 40 0 IIABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc2N1C(=O)c1ccccc1 ZINC000223267712 557453373 /nfs/dbraw/zinc/45/33/73/557453373.db2.gz RVEWSRKZRMEQPS-AWEZNQCLSA-N 0 0 428.460 4.357 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1F ZINC000223267871 557453431 /nfs/dbraw/zinc/45/34/31/557453431.db2.gz VTLYCSMMGXUIIO-DEOSSOPVSA-N 0 0 448.538 4.289 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000223273098 557454528 /nfs/dbraw/zinc/45/45/28/557454528.db2.gz PWRNPUDEACEZBV-DEOSSOPVSA-N 0 0 434.536 4.201 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](CC)C(=O)NC)cc1 ZINC000223272626 557454554 /nfs/dbraw/zinc/45/45/54/557454554.db2.gz PTLHZQQASYZWED-HXUWFJFHSA-N 0 0 437.367 4.488 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223284665 557455714 /nfs/dbraw/zinc/45/57/14/557455714.db2.gz VIWCMPGMXIWHGF-LJQANCHMSA-N 0 0 446.613 4.387 40 0 IIABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)S(C)(=O)=O ZINC000223285093 557455770 /nfs/dbraw/zinc/45/57/70/557455770.db2.gz JSJPFHNLHHEVIB-SFHVURJKSA-N 0 0 446.613 4.333 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C(C)C ZINC000223289113 557456316 /nfs/dbraw/zinc/45/63/16/557456316.db2.gz KDOPOZUESMKFKH-ZWKOTPCHSA-N 0 0 432.586 4.159 40 0 IIABRN COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223318967 557458758 /nfs/dbraw/zinc/45/87/58/557458758.db2.gz FVEAGCHYJLRAFK-WWPVKYPJSA-N 0 0 434.565 4.032 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223369388 557463572 /nfs/dbraw/zinc/46/35/72/557463572.db2.gz LZIMUBMVNZADQB-SFHVURJKSA-N 0 0 427.303 4.065 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223374827 557464239 /nfs/dbraw/zinc/46/42/39/557464239.db2.gz QOHOAMFAZPLQCG-HXUWFJFHSA-N 0 0 434.989 4.135 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223402092 557467121 /nfs/dbraw/zinc/46/71/21/557467121.db2.gz PXGANERUBFNDFG-NRFANRHFSA-N 0 0 432.948 4.061 40 0 IIABRN COC(=O)c1ccc(NCc2ccc(OC)cc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223410859 557468634 /nfs/dbraw/zinc/46/86/34/557468634.db2.gz CKAFDJFHDKVVOD-UHFFFAOYSA-N 0 0 440.521 4.203 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCc2ccccn2)cc1 ZINC000223422413 557470567 /nfs/dbraw/zinc/47/05/67/557470567.db2.gz YFHSUYXABKYJRT-UHFFFAOYSA-N 0 0 439.537 4.368 40 0 IIABRN COc1ccc([C@@H]2C[C@@](O)(c3ccc(OC)c(OC)c3)SCCSC2=N)cc1OC ZINC000016227269 557471421 /nfs/dbraw/zinc/47/14/21/557471421.db2.gz SHHXYJGRXUUZFH-AOMKIAJQSA-N 0 0 449.594 4.497 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(OC)cc1 ZINC000223444925 557472721 /nfs/dbraw/zinc/47/27/21/557472721.db2.gz FTDCRKYDWMRRBN-VWLOTQADSA-N 0 0 448.538 4.153 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1cccnc1 ZINC000223448701 557473038 /nfs/dbraw/zinc/47/30/38/557473038.db2.gz FOGCFJFUBLKCIZ-IAGOWNOFSA-N 0 0 431.384 4.473 40 0 IIABRN Cc1nccn1-c1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223451757 557473230 /nfs/dbraw/zinc/47/32/30/557473230.db2.gz WQDAWIJIJKQABO-JWGURIENSA-N 0 0 442.544 4.330 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223469670 557475440 /nfs/dbraw/zinc/47/54/40/557475440.db2.gz VZOXYKYZZCWAMB-QGZVFWFLSA-N 0 0 432.948 4.061 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1OC ZINC000017096666 557477182 /nfs/dbraw/zinc/47/71/82/557477182.db2.gz SHPOJWZYPDEXND-UHFFFAOYSA-N 0 0 429.723 4.247 40 0 IIABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCCO2 ZINC000017096913 557477907 /nfs/dbraw/zinc/47/79/07/557477907.db2.gz SQHZQHNCEZHKQN-UHFFFAOYSA-N 0 0 430.489 4.128 40 0 IIABRN COc1cc(CN(C(=O)c2cccc(Cl)c2)C2CCCCC2)ccc1OCC(N)=O ZINC000017097259 557478518 /nfs/dbraw/zinc/47/85/18/557478518.db2.gz WCJDSFGWOKHWNE-UHFFFAOYSA-N 0 0 430.932 4.188 40 0 IIABRN CCOc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC)cc1OCC ZINC000223495127 557479272 /nfs/dbraw/zinc/47/92/72/557479272.db2.gz PLYBEOYPAOILAR-QFIPXVFZSA-N 0 0 440.584 4.013 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223500015 557479704 /nfs/dbraw/zinc/47/97/04/557479704.db2.gz DVKQEDWTRLOAKR-FQEVSTJZSA-N 0 0 426.557 4.024 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223504384 557480221 /nfs/dbraw/zinc/48/02/21/557480221.db2.gz SLYNLWKJERIMBF-OAQYLSRUSA-N 0 0 440.584 4.333 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223513969 557481089 /nfs/dbraw/zinc/48/10/89/557481089.db2.gz QDABZDLEODNEIW-MRXNPFEDSA-N 0 0 434.939 4.364 40 0 IIABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 ZINC000017098573 557481389 /nfs/dbraw/zinc/48/13/89/557481389.db2.gz LDTDEEDMYOSIRI-LBPRGKRZSA-N 0 0 433.574 4.264 40 0 IIABRN O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000017098674 557481630 /nfs/dbraw/zinc/48/16/30/557481630.db2.gz NGKNFOPTDYPTBV-UHFFFAOYSA-N 0 0 433.939 4.484 40 0 IIABRN Cc1ccc2nc(NC(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)sc2c1 ZINC000017098811 557481975 /nfs/dbraw/zinc/48/19/75/557481975.db2.gz ZENLFNVSHHCMLD-UHFFFAOYSA-N 0 0 434.487 4.384 40 0 IIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccnc1 ZINC000223526644 557482096 /nfs/dbraw/zinc/48/20/96/557482096.db2.gz HXEAEWWNBGAWJY-RPWUZVMVSA-N 0 0 440.576 4.452 40 0 IIABRN O=C(NC(=S)Nc1ccc(I)cc1F)c1cccc(Cl)c1 ZINC000017099197 557482246 /nfs/dbraw/zinc/48/22/46/557482246.db2.gz NFJZBHPDJULKTQ-UHFFFAOYSA-N 0 0 434.661 4.211 40 0 IIABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1cccnc1 ZINC000223529709 557482580 /nfs/dbraw/zinc/48/25/80/557482580.db2.gz ANALLVQRWNZXAF-PKTZIBPZSA-N 0 0 426.549 4.143 40 0 IIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)n1-c1cccnc1 ZINC000223529811 557482624 /nfs/dbraw/zinc/48/26/24/557482624.db2.gz ANALLVQRWNZXAF-GOTSBHOMSA-N 0 0 426.549 4.143 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000223539063 557483240 /nfs/dbraw/zinc/48/32/40/557483240.db2.gz OGCJCZOIEOZERH-UHFFFAOYSA-N 0 0 442.968 4.203 40 0 IIABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCCOC(C)C)c1ccccc1 ZINC000223547833 557484256 /nfs/dbraw/zinc/48/42/56/557484256.db2.gz NHLRFEAMDSBVEX-DEOSSOPVSA-N 0 0 426.557 4.106 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccn1 ZINC000223550446 557484699 /nfs/dbraw/zinc/48/46/99/557484699.db2.gz ZOMODSDVTXORKN-YADHBBJMSA-N 0 0 446.967 4.488 40 0 IIABRN OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000223569681 557487360 /nfs/dbraw/zinc/48/73/60/557487360.db2.gz DZSPISJTDOBOSX-MOPGFXCFSA-N 0 0 433.364 4.144 40 0 IIABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000017100563 557489091 /nfs/dbraw/zinc/48/90/91/557489091.db2.gz UFSFJYZEPPLJQN-UHFFFAOYSA-N 0 0 436.562 4.190 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223585309 557489150 /nfs/dbraw/zinc/48/91/50/557489150.db2.gz APPIRVSSOXHMLJ-FQEVSTJZSA-N 0 0 440.584 4.278 40 0 IIABRN CC(C)Sc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 ZINC000223606548 557490975 /nfs/dbraw/zinc/49/09/75/557490975.db2.gz VGVVQLLZDSLAEQ-UHFFFAOYSA-N 0 0 434.568 4.092 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000223618455 557492793 /nfs/dbraw/zinc/49/27/93/557492793.db2.gz CEQBRYWHPQQXHR-QFIPXVFZSA-N 0 0 440.584 4.413 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1C ZINC000223628061 557493759 /nfs/dbraw/zinc/49/37/59/557493759.db2.gz DVGPAQOZGDMGJX-JOCHJYFZSA-N 0 0 440.584 4.413 40 0 IIABRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)ccc1Cl ZINC000223628852 557493843 /nfs/dbraw/zinc/49/38/43/557493843.db2.gz HEDATOSTFUEWCL-RTWAWAEBSA-N 0 0 426.973 4.189 40 0 IIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCSCc1ccco1 ZINC000223643896 557496021 /nfs/dbraw/zinc/49/60/21/557496021.db2.gz XCINIFDPWAUTAF-ZHZULCJRSA-N 0 0 426.563 4.470 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223648731 557496868 /nfs/dbraw/zinc/49/68/68/557496868.db2.gz CSXZLOCEZZGGKJ-VXKWHMMOSA-N 0 0 426.586 4.151 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCc2ccccc2C1 ZINC000019499620 557499663 /nfs/dbraw/zinc/49/96/63/557499663.db2.gz QCBNWBMHYZCSEE-HSZRJFAPSA-N 0 0 442.567 4.116 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000223674730 557500472 /nfs/dbraw/zinc/50/04/72/557500472.db2.gz HZAZJKJEXSRPSF-NRFANRHFSA-N 0 0 430.976 4.483 40 0 IIABRN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=O)cc1 ZINC000390388893 557501428 /nfs/dbraw/zinc/50/14/28/557501428.db2.gz YSKPHLKMJZLIIV-UHFFFAOYSA-N 0 0 427.092 4.350 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccccc2)cc1 ZINC000223718547 557505768 /nfs/dbraw/zinc/50/57/68/557505768.db2.gz NBORXNQSQGZEMT-UHFFFAOYSA-N 0 0 432.586 4.222 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 ZINC000223730492 557506981 /nfs/dbraw/zinc/50/69/81/557506981.db2.gz DUUUEFFTZZJOSM-GOTSBHOMSA-N 0 0 434.565 4.106 40 0 IIABRN COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccccc1C(C)(C)C ZINC000223738599 557507637 /nfs/dbraw/zinc/50/76/37/557507637.db2.gz NXHIFILOZVYOSZ-UHFFFAOYSA-N 0 0 442.375 4.113 40 0 IIABRN CCOc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000223740446 557507677 /nfs/dbraw/zinc/50/76/77/557507677.db2.gz PMQIYZHNTCRSEL-CYVLTUHYSA-N 0 0 436.464 4.105 40 0 IIABRN O=C(Nc1cccc(N2CCCC2=O)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223751352 557509140 /nfs/dbraw/zinc/50/91/40/557509140.db2.gz BPABONMWZAZZAU-PGMHBOJBSA-N 0 0 431.517 4.285 40 0 IIABRN COc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000019947051 557511107 /nfs/dbraw/zinc/51/11/07/557511107.db2.gz DORKDCNSTUXSBH-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN C[C@@H](C(=O)NCC1=CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223779273 557511996 /nfs/dbraw/zinc/51/19/96/557511996.db2.gz LESDODWTROVIJH-SFHVURJKSA-N 0 0 428.554 4.250 40 0 IIABRN C[C@H](C(=O)NCC1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223782737 557512508 /nfs/dbraw/zinc/51/25/08/557512508.db2.gz RLHDLBRRRGEYBJ-GOSISDBHSA-N 0 0 430.570 4.330 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000020139996 557515773 /nfs/dbraw/zinc/51/57/73/557515773.db2.gz LTHGOJUGUIKPBG-NRFANRHFSA-N 0 0 426.515 4.008 40 0 IIABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223830473 557518159 /nfs/dbraw/zinc/51/81/59/557518159.db2.gz RQCBOSWRZAZRKE-QGZVFWFLSA-N 0 0 444.959 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568900827 /nfs/dbraw/zinc/90/08/27/568900827.db2.gz MLUFWDYARVTLKS-IMVLJIQESA-N 0 0 428.561 4.265 40 0 IIABRN Cc1ccc(NC(=O)COc2c(C)cc(Br)cc2Br)cc1N ZINC000057340539 568930113 /nfs/dbraw/zinc/93/01/13/568930113.db2.gz XTGYCZAOIXHCBM-UHFFFAOYSA-N 0 0 428.124 4.428 40 0 IIABRN CCOc1cc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc(OCC)c1OCC ZINC000057331977 568930173 /nfs/dbraw/zinc/93/01/73/568930173.db2.gz AOVOALRWNZFRCH-UHFFFAOYSA-N 0 0 447.963 4.081 40 0 IIABRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)cc1Cl ZINC000226244000 569177808 /nfs/dbraw/zinc/17/78/08/569177808.db2.gz GEHYNRBTTSKLIO-UHFFFAOYSA-N 0 0 429.723 4.252 40 0 IIABRN Cc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2cccnc2)C[C@H]2CCCO2)cc1 ZINC000245227590 569205124 /nfs/dbraw/zinc/20/51/24/569205124.db2.gz PTTGHDIVSYRSAL-DNQXCXABSA-N 0 0 432.572 4.262 40 0 IIABRN Cc1ccc(CSCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000247942422 569206496 /nfs/dbraw/zinc/20/64/96/569206496.db2.gz VIFOIEAETARMQQ-UHFFFAOYSA-N 0 0 440.590 4.459 40 0 IIABRN 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CGXJGEDEPZXYEY-UHFFFAOYSA-N 0 0 434.352 4.113 40 0 IIABRN CCc1c(C)noc1-c1cnc(NCc2cc(OC)cc(OC)c2)nc1-c1cnc(C)cn1 ZINC000012156364 523716831 /nfs/dbraw/zinc/71/68/31/523716831.db2.gz WIKOJMHLEGCVEJ-UHFFFAOYSA-N 0 0 446.511 4.397 40 0 IIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@@H](C)n3nc(C)cc3C)cc2n1 ZINC000012230606 523778652 /nfs/dbraw/zinc/77/86/52/523778652.db2.gz RZKGCUVNRBZJBD-QAPCUYQASA-N 0 0 448.493 4.439 40 0 IIABRN COc1ccc(CN(Cc2cc3cccc(C)c3n3nnnc23)C(=O)c2ccco2)cc1 ZINC000035288834 524014382 /nfs/dbraw/zinc/01/43/82/524014382.db2.gz IXZLVTRAQZAKFJ-UHFFFAOYSA-N 0 0 427.464 4.030 40 0 IIABRN COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000022518135 524066635 /nfs/dbraw/zinc/06/66/35/524066635.db2.gz OKURKJYTFRNAGB-UHFFFAOYSA-N 0 0 444.940 4.388 40 0 IIABRN CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)c1 ZINC000012874992 524070455 /nfs/dbraw/zinc/07/04/55/524070455.db2.gz VJOCINKMFRWFQS-JOCHJYFZSA-N 0 0 449.580 4.333 40 0 IIABRN 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COc1cccc(NC(=O)c2cnc3c(-c4ccc(OC)c(OC)c4)c(C)nn3c2C)c1 ZINC000038829663 556621099 /nfs/dbraw/zinc/62/10/99/556621099.db2.gz PDYVZXSAMDLILJ-UHFFFAOYSA-N 0 0 432.480 4.291 40 0 IIABRN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 ZINC000514290093 556626082 /nfs/dbraw/zinc/62/60/82/556626082.db2.gz RZAZSGINTOKHMF-GGAORHGYSA-N 0 0 440.490 4.256 40 0 biogenic,in-vitro IIABRN C[C@@]1(O)CCN(Cc2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290198 556626173 /nfs/dbraw/zinc/62/61/73/556626173.db2.gz VEVFKAZDPUFHLM-KYPHJKQUSA-N 0 0 436.502 4.461 40 0 biogenic,in-vitro IIABRN O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(OC(F)(F)F)c1 ZINC000039964114 556631357 /nfs/dbraw/zinc/63/13/57/556631357.db2.gz AJWGUKLKWGTLPO-QGZVFWFLSA-N 0 0 430.386 4.014 40 0 IIABRN CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985438 556631804 /nfs/dbraw/zinc/63/18/04/556631804.db2.gz ICVXBTMBPDJXKZ-UHFFFAOYSA-N 0 0 433.382 4.365 40 0 IIABRN 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4.326 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)c1 ZINC000044904520 556679596 /nfs/dbraw/zinc/67/95/96/556679596.db2.gz GMYHVUTUAPDDJA-DEOSSOPVSA-N 0 0 442.625 4.440 40 0 IIABRN CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000018074203 556683030 /nfs/dbraw/zinc/68/30/30/556683030.db2.gz UINCBZZBDNROMS-UHFFFAOYSA-N 0 0 442.512 4.297 40 0 IIABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1Cl ZINC000044946258 556683548 /nfs/dbraw/zinc/68/35/48/556683548.db2.gz AZNBADXRMFDHQD-UHFFFAOYSA-N 0 0 433.382 4.028 40 0 IIABRN Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@@H]2C1C1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000045070958 556685075 /nfs/dbraw/zinc/68/50/75/556685075.db2.gz HJXOYPOZEUPAFB-XZQOPNAISA-N 0 0 445.522 4.193 40 0 IIABRN COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000018547176 556690280 /nfs/dbraw/zinc/69/02/80/556690280.db2.gz WAFIIBQPPQJQFX-LLVKDONJSA-N 0 0 428.710 4.376 40 0 IIABRN COc1ccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccncc2)cc1 ZINC000000796376 556695121 /nfs/dbraw/zinc/69/51/21/556695121.db2.gz XRXPTIDKYAMZIC-IRXDYDNUSA-N 0 0 437.569 4.220 40 0 IIABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000000814082 556698748 /nfs/dbraw/zinc/69/87/48/556698748.db2.gz MCTMGXGGGZEPBT-HXUWFJFHSA-N 0 0 438.549 4.278 40 0 IIABRN CC(C)C(=O)N1CC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NCc2ccccc2)C1 ZINC000019085123 556698782 /nfs/dbraw/zinc/69/87/82/556698782.db2.gz AOBDPNLLRPXTMP-NDEPHWFRSA-N 0 0 441.575 4.482 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)cc2n1 ZINC000019116704 556699886 /nfs/dbraw/zinc/69/98/86/556699886.db2.gz MSXVABKGDTVQMI-OAHLLOKOSA-N 0 0 434.466 4.445 40 0 IIABRN COc1cccc(-c2cncc([C@@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)c1 ZINC000257202413 556701383 /nfs/dbraw/zinc/70/13/83/556701383.db2.gz ALROMOMBBQDBGL-QHCPKHFHSA-N 0 0 437.927 4.338 40 0 IIABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2S(=O)(=O)c2ccccc2Cl)on1 ZINC000019122015 556701433 /nfs/dbraw/zinc/70/14/33/556701433.db2.gz 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442.559 4.321 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccc2OC)C1 ZINC000019591609 556827528 /nfs/dbraw/zinc/82/75/28/556827528.db2.gz PDFMAYSWSPGUKP-VWLOTQADSA-N 0 0 434.561 4.245 40 0 IIABRN CNc1cc(C2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)nc(-c2ccncc2)n1 ZINC000019592289 556828447 /nfs/dbraw/zinc/82/84/47/556828447.db2.gz LKTKNPJXLAFRSK-UHFFFAOYSA-N 0 0 439.466 4.202 40 0 IIABRN COCc1ccc(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)cc1 ZINC000019594425 556830292 /nfs/dbraw/zinc/83/02/92/556830292.db2.gz LHWUXYRJTPRGNP-QHCPKHFHSA-N 0 0 446.522 4.070 40 0 IIABRN Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006301743 556832472 /nfs/dbraw/zinc/83/24/72/556832472.db2.gz AJUWBDVZYWSVHI-DEOSSOPVSA-N 0 0 442.567 4.001 40 0 IIABRN Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442596 556836021 /nfs/dbraw/zinc/83/60/21/556836021.db2.gz GFAAQLFYJTXASE-BXKMTCNYSA-N 0 0 442.567 4.001 40 0 IIABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2cccc(O)c2)o1 ZINC000006599457 556837384 /nfs/dbraw/zinc/83/73/84/556837384.db2.gz OQAHRDIOTHFXTR-UHFFFAOYSA-N 0 0 433.511 4.028 40 0 IIABRN CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000019643944 556838781 /nfs/dbraw/zinc/83/87/81/556838781.db2.gz MAZUQVQWVSEIRK-CYBMUJFWSA-N 0 0 445.610 4.278 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCC(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1 ZINC000019687827 556842205 /nfs/dbraw/zinc/84/22/05/556842205.db2.gz SHMXRKKCWMBNBE-UHFFFAOYSA-N 0 0 439.519 4.052 40 0 IIABRN CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)Cn3nc(C)cc3C)C2)nc1 ZINC000019688296 556843008 /nfs/dbraw/zinc/84/30/08/556843008.db2.gz RDLUABIJVSPLCA-HSZRJFAPSA-N 0 0 432.568 4.291 40 0 IIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ccc(-c3ccc(N)nc3)cn2)cc1 ZINC000019688936 556843626 /nfs/dbraw/zinc/84/36/26/556843626.db2.gz GOXHHVLRZKTJFS-JOCHJYFZSA-N 0 0 432.524 4.256 40 0 IIABRN Cc1ccc(CC(=O)N2CCC[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)cc1C ZINC000019689331 556844021 /nfs/dbraw/zinc/84/40/21/556844021.db2.gz SRWOEDKAIABTMR-XMMPIXPASA-N 0 0 427.548 4.413 40 0 IIABRN Cc1nc(C)n([C@@H](C)CC(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)n1 ZINC000019690475 556846352 /nfs/dbraw/zinc/84/63/52/556846352.db2.gz AGCIUGWJXSGDBG-KRWDZBQOSA-N 0 0 435.547 4.377 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019691936 556847994 /nfs/dbraw/zinc/84/79/94/556847994.db2.gz OXIRVTXZOYCXND-JOCHJYFZSA-N 0 0 425.554 4.420 40 0 IIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019693902 556848393 /nfs/dbraw/zinc/84/83/93/556848393.db2.gz IDVSUBDMQGWMIE-MRXNPFEDSA-N 0 0 425.533 4.133 40 0 IIABRN COc1ccc(CN2CCCc3c(C)nc([C@H]4CCCN(C(=O)C5CCC5)C4)nc32)cc1 ZINC000019707168 556866513 /nfs/dbraw/zinc/86/65/13/556866513.db2.gz FDHFIUXNWCLWFR-NRFANRHFSA-N 0 0 434.584 4.253 40 0 IIABRN Cc1noc(C)c1CC(=O)N1CCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1 ZINC000019708282 556868603 /nfs/dbraw/zinc/86/86/03/556868603.db2.gz OZQHVMVIQOFWLV-UHFFFAOYSA-N 0 0 436.487 4.027 40 0 IIABRN CCc1noc(C)c1C(=O)N1CCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1 ZINC000019708272 556868655 /nfs/dbraw/zinc/86/86/55/556868655.db2.gz BRYHMUVCBZIPFJ-UHFFFAOYSA-N 0 0 436.487 4.352 40 0 IIABRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)o2)C1=O)Nc1ccc(F)cc1 ZINC000408867364 556873981 /nfs/dbraw/zinc/87/39/81/556873981.db2.gz IKGNNCVMKVKCLR-ATVHPVEESA-N 0 0 429.473 4.084 40 0 IIABRN CCn1cc(CN2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)c(C)n1 ZINC000019711164 556875173 /nfs/dbraw/zinc/87/51/73/556875173.db2.gz QDVHLXLWQSBDJT-DEOSSOPVSA-N 0 0 435.547 4.321 40 0 IIABRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)s2)C1=O)Nc1ccc(F)cc1 ZINC000408873062 556875485 /nfs/dbraw/zinc/87/54/85/556875485.db2.gz REJVVGZMRRPSSC-GHXNOFRVSA-N 0 0 441.303 4.325 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)c1 ZINC000408920972 556890996 /nfs/dbraw/zinc/89/09/96/556890996.db2.gz AARTUMGZWHQACT-WUXMJOGZSA-N 0 0 436.489 4.176 40 0 IIABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)cs3)C2=O)c1 ZINC000408931045 556894495 /nfs/dbraw/zinc/89/44/95/556894495.db2.gz GLBZPFGIVHHZHO-AUWJEWJLSA-N 0 0 437.340 4.494 40 0 IIABRN COc1ccc(CN2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1OC(C)C ZINC000019756233 556899678 /nfs/dbraw/zinc/89/96/78/556899678.db2.gz ZDYGIDIVDKFMBS-NRFANRHFSA-N 0 0 438.572 4.154 40 0 IIABRN COc1ccc(OC(=O)COc2ccc(C)cc2)c(NC(=O)COc2ccc(C)cc2)c1 ZINC000072193671 556900451 /nfs/dbraw/zinc/90/04/51/556900451.db2.gz OKZZMDMQFFBQSY-UHFFFAOYSA-N 0 0 435.476 4.314 40 0 IIABRN CN(C)C(=O)c1cc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759686 556903422 /nfs/dbraw/zinc/90/34/22/556903422.db2.gz OWCIFCIOFIDGEJ-VWLOTQADSA-N 0 0 426.520 4.058 40 0 IIABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCc1c[nH]c3ccccc13)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326927 556903444 /nfs/dbraw/zinc/90/34/44/556903444.db2.gz DFHPHZODEVHCEM-VSKBYDQCSA-N 0 0 442.563 4.205 40 0 IIABRN Cc1noc(C)c1CCC(=O)N1CCC2(C[C@]3(CO2)Nc2ccccc2-n2cccc23)CC1 ZINC000072327272 556904039 /nfs/dbraw/zinc/90/40/39/556904039.db2.gz CLWDHHKIFJKTLU-AREMUKBSSA-N 0 0 446.551 4.117 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2c(F)cccc2Cl)cc1 ZINC000409007175 556916555 /nfs/dbraw/zinc/91/65/55/556916555.db2.gz UPKALAPSKCRKJY-UHFFFAOYSA-N 0 0 438.952 4.037 40 0 IIABRN CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cc[nH]n2)CC1 ZINC000072345068 556916625 /nfs/dbraw/zinc/91/66/25/556916625.db2.gz OZZAOKQXMQPIOO-UHFFFAOYSA-N 0 0 436.581 4.128 40 0 IIABRN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000072346104 556917368 /nfs/dbraw/zinc/91/73/68/556917368.db2.gz IHVUQPJKGBMJSY-KRWDZBQOSA-N 0 0 429.499 4.295 40 0 IIABRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1OC(C)C ZINC000409010085 556917719 /nfs/dbraw/zinc/91/77/19/556917719.db2.gz DGFNUHDQDHPBIJ-UNOMPAQXSA-N 0 0 440.521 4.466 40 0 IIABRN Cc1cc(C(F)F)n2ncc(C(=O)N3CCC4(CC3)Nc3ccccc3-n3cccc34)c2n1 ZINC000072346492 556917830 /nfs/dbraw/zinc/91/78/30/556917830.db2.gz OVAYFQQTUCJWAC-UHFFFAOYSA-N 0 0 448.477 4.323 40 0 IIABRN O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349916 556919981 /nfs/dbraw/zinc/91/99/81/556919981.db2.gz HGWWJDUAVSQSLR-SFHVURJKSA-N 0 0 441.453 4.399 40 0 IIABRN CCc1ccc2nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[nH]3)nc(C)c2c1 ZINC000019817397 556920128 /nfs/dbraw/zinc/92/01/28/556920128.db2.gz APJRWKVAWXCMSG-UHFFFAOYSA-N 0 0 433.541 4.027 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@H](c3nccnc3-n3ccnc3C(C)C)C2)cc1 ZINC000072350630 556920650 /nfs/dbraw/zinc/92/06/50/556920650.db2.gz VTNKPNLVLQREKG-FQEVSTJZSA-N 0 0 433.556 4.133 40 0 IIABRN CCc1nn2c(nnc3c2ccn(-c2cc(Cl)ccc2OC)c3=O)c1-c1ccccc1 ZINC000019818970 556921701 /nfs/dbraw/zinc/92/17/01/556921701.db2.gz GOGISGNEPWPGRC-UHFFFAOYSA-N 0 0 431.883 4.320 40 0 IIABRN O=C(CCc1ccccc1)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352191 556923277 /nfs/dbraw/zinc/92/32/77/556923277.db2.gz KEUDGQYQZGNTOU-HXUWFJFHSA-N 0 0 448.588 4.322 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(O)c1 ZINC000019820200 556923682 /nfs/dbraw/zinc/92/36/82/556923682.db2.gz VRQLJMDXZPTHDS-XZOQPEGZSA-N 0 0 441.487 4.057 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000019820453 556923803 /nfs/dbraw/zinc/92/38/03/556923803.db2.gz WFZWKEOJEXUSCK-ZEQRLZLVSA-N 0 0 439.515 4.394 40 0 IIABRN Cc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000409028483 556924746 /nfs/dbraw/zinc/92/47/46/556924746.db2.gz NUILHQDPOJJOCZ-LJQANCHMSA-N 0 0 438.549 4.258 40 0 IIABRN COc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409025207 556925691 /nfs/dbraw/zinc/92/56/91/556925691.db2.gz NPASBEBUIACMQL-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc2)n1 ZINC000072353282 556926192 /nfs/dbraw/zinc/92/61/92/556926192.db2.gz OLXZZNBVMMGBGA-GOSISDBHSA-N 0 0 434.519 4.189 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)COc4ccccc4F)C3)nc2)n1 ZINC000072353354 556926324 /nfs/dbraw/zinc/92/63/24/556926324.db2.gz IXKRAQYVRNHRBM-GOSISDBHSA-N 0 0 435.503 4.156 40 0 IIABRN COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccc(Br)cc1 ZINC000409038845 556927957 /nfs/dbraw/zinc/92/79/57/556927957.db2.gz VYAZSQKHRZWART-YBEGLDIGSA-N 0 0 447.354 4.066 40 0 IIABRN CCn1cc(S(=O)(=O)N2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1 ZINC000072354206 556929321 /nfs/dbraw/zinc/92/93/21/556929321.db2.gz DKLVQSDXCWJYLV-QFIPXVFZSA-N 0 0 438.597 4.074 40 0 IIABRN CC(=O)NCc1cnc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)cc1C(F)(F)F ZINC000072356156 556930745 /nfs/dbraw/zinc/93/07/45/556930745.db2.gz BJJPCTOMCZHCFO-OAQYLSRUSA-N 0 0 444.457 4.124 40 0 IIABRN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860134 556932425 /nfs/dbraw/zinc/93/24/25/556932425.db2.gz IKWFYFKHYKGPOW-HNNXBMFYSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860249 556932700 /nfs/dbraw/zinc/93/27/00/556932700.db2.gz IQCZUGLPTDSWGE-MRXNPFEDSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860724 556933167 /nfs/dbraw/zinc/93/31/67/556933167.db2.gz QRGYHLWNHSVZPK-HNNXBMFYSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(C)c1 ZINC000409057499 556934790 /nfs/dbraw/zinc/93/47/90/556934790.db2.gz GRSSYFPQWOWFSA-UHFFFAOYSA-N 0 0 428.598 4.252 40 0 IIABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867621 556934802 /nfs/dbraw/zinc/93/48/02/556934802.db2.gz NAIAIAPSWZQBBY-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 ZINC000072370464 556935120 /nfs/dbraw/zinc/93/51/20/556935120.db2.gz XISCSTZTFPNHBZ-QGZVFWFLSA-N 0 0 440.540 4.403 40 0 IIABRN CCNc1nc(C)c(C(=O)N2CCCC[C@H]2Cc2c3ccccc3sc2C(N)=O)s1 ZINC000072370598 556935460 /nfs/dbraw/zinc/93/54/60/556935460.db2.gz NHUXKLCTAHXFTH-AWEZNQCLSA-N 0 0 442.610 4.434 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)c1ccnn1C ZINC000072370749 556936388 /nfs/dbraw/zinc/93/63/88/556936388.db2.gz FJUFDSUAXWXULW-KRWDZBQOSA-N 0 0 438.597 4.401 40 0 IIABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCn1nccc1C ZINC000072370768 556936447 /nfs/dbraw/zinc/93/64/47/556936447.db2.gz HWRZKSWAVLWDKB-LJQANCHMSA-N 0 0 438.597 4.170 40 0 IIABRN O=C(COc1ccccc1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371277 556937898 /nfs/dbraw/zinc/93/78/98/556937898.db2.gz RYSBIGOKSBOBQJ-KRWDZBQOSA-N 0 0 425.916 4.080 40 0 IIABRN C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409054736 556938267 /nfs/dbraw/zinc/93/82/67/556938267.db2.gz BGVHJEKVIUPFCW-RDGWCUKFSA-N 0 0 425.234 4.258 40 0 IIABRN O=C(c1cccc2cccnc21)N1CC[C@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000072371434 556938672 /nfs/dbraw/zinc/93/86/72/556938672.db2.gz XCRXSUIWBFLXCQ-SFHVURJKSA-N 0 0 430.483 4.348 40 0 IIABRN Cc1nc(CC(=O)N2CC[C@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cs1 ZINC000072371601 556939907 /nfs/dbraw/zinc/93/99/07/556939907.db2.gz HSQRTEPELGMBIA-IBGZPJMESA-N 0 0 438.597 4.478 40 0 IIABRN COc1cccc(CN2C(=O)Cc3c2nc([C@@H]2CCCCN2C(=O)C2CCCC2)nc3C)c1 ZINC000072371870 556941117 /nfs/dbraw/zinc/94/11/17/556941117.db2.gz GRULIDDKGXJOKN-QFIPXVFZSA-N 0 0 448.567 4.127 40 0 IIABRN Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(N[C@H](C)CCc2ccc(F)cc2)n1 ZINC000072373294 556946133 /nfs/dbraw/zinc/94/61/33/556946133.db2.gz WDRYXDMUUSHQBM-MRXNPFEDSA-N 0 0 431.515 4.424 40 0 IIABRN COc1cccc(OCc2nnc(SCc3nnc(-c4cccc(OC)c4)o3)o2)c1 ZINC000019928611 556946332 /nfs/dbraw/zinc/94/63/32/556946332.db2.gz HTQLKYVZWRAIHO-UHFFFAOYSA-N 0 0 426.454 4.008 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000072373848 556947120 /nfs/dbraw/zinc/94/71/20/556947120.db2.gz WTHLQHCCCXWYFO-OAQYLSRUSA-N 0 0 433.600 4.419 40 0 IIABRN Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)n1 ZINC000072374087 556947126 /nfs/dbraw/zinc/94/71/26/556947126.db2.gz ZVCZIGYLTJWUOH-JOCHJYFZSA-N 0 0 439.987 4.399 40 0 IIABRN CCOc1cc(OCC)c(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Br 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CC(C)c1ccccc1OCC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000222814389 557389593 /nfs/dbraw/zinc/38/95/93/557389593.db2.gz OMRKYYKTMMPEAO-UHFFFAOYSA-N 0 0 430.302 4.318 40 0 IIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000222830672 557391389 /nfs/dbraw/zinc/39/13/89/557391389.db2.gz PIDVXVHHIITYMI-KRWDZBQOSA-N 0 0 446.975 4.233 40 0 IIABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222843575 557392907 /nfs/dbraw/zinc/39/29/07/557392907.db2.gz AEJZQZGTWYXXRC-IBGZPJMESA-N 0 0 435.955 4.401 40 0 IIABRN CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222849264 557393748 /nfs/dbraw/zinc/39/37/48/557393748.db2.gz LPRFMDFNGAJHPB-IBGZPJMESA-N 0 0 442.503 4.183 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSc1ccc(C)cc1 ZINC000222851074 557393898 /nfs/dbraw/zinc/39/38/98/557393898.db2.gz XUBJBYHCCGRWHD-JOCHJYFZSA-N 0 0 428.598 4.428 40 0 IIABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc2ccccc21)S(C)(=O)=O ZINC000222853532 557394383 /nfs/dbraw/zinc/39/43/83/557394383.db2.gz QJDGHKUGSNBLGT-INIZCTEOSA-N 0 0 430.957 4.273 40 0 IIABRN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]2(C)C1 ZINC000025544590 557395327 /nfs/dbraw/zinc/39/53/27/557395327.db2.gz COKYYNCXGADZHN-DRGPEIPJSA-N 0 0 434.573 4.434 40 0 IIABRN COc1ccc(CSCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222866429 557395764 /nfs/dbraw/zinc/39/57/64/557395764.db2.gz FTOKVIFVWAOMFX-KRWDZBQOSA-N 0 0 446.588 4.400 40 0 IIABRN CC[C@@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222866303 557395833 /nfs/dbraw/zinc/39/58/33/557395833.db2.gz UOOFLMKEOBMNAK-NRFANRHFSA-N 0 0 430.957 4.354 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1C(=O)N1CCCC1 ZINC000222868008 557396056 /nfs/dbraw/zinc/39/60/56/557396056.db2.gz ISYFEFVASZBCIB-UHFFFAOYSA-N 0 0 440.590 4.276 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222886212 557398298 /nfs/dbraw/zinc/39/82/98/557398298.db2.gz HRBVEAUFRGMCHE-SANMLTNESA-N 0 0 444.575 4.241 40 0 IIABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)ccc1Cl ZINC000222892498 557399275 /nfs/dbraw/zinc/39/92/75/557399275.db2.gz GIDKUCATXBUCNY-MRXNPFEDSA-N 0 0 434.939 4.498 40 0 IIABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222916071 557402042 /nfs/dbraw/zinc/40/20/42/557402042.db2.gz XZLXKOUDLUCBHU-OAHLLOKOSA-N 0 0 439.408 4.432 40 0 IIABRN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000013999536 557402867 /nfs/dbraw/zinc/40/28/67/557402867.db2.gz OKVWEJZKJBVYBT-YJBOKZPZSA-N 0 0 448.441 4.255 40 0 IIABRN C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222925517 557403922 /nfs/dbraw/zinc/40/39/22/557403922.db2.gz MYHXGDQLPDWOEM-KRWDZBQOSA-N 0 0 439.918 4.150 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222972155 557409815 /nfs/dbraw/zinc/40/98/15/557409815.db2.gz IWYFUCQFQUHHDW-IBGZPJMESA-N 0 0 443.547 4.134 40 0 IIABRN COc1ccc(C(=O)N2CCc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc32)cc1 ZINC000222985528 557411857 /nfs/dbraw/zinc/41/18/57/557411857.db2.gz PQOQZUMIJYWLEP-UHFFFAOYSA-N 0 0 442.924 4.352 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccc(C)cc1 ZINC000222985950 557411946 /nfs/dbraw/zinc/41/19/46/557411946.db2.gz FKGAADVHVWEJRN-MRXNPFEDSA-N 0 0 449.414 4.403 40 0 IIABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000222988690 557412524 /nfs/dbraw/zinc/41/25/24/557412524.db2.gz SMVZMUBGEGXNBP-OAQYLSRUSA-N 0 0 430.548 4.280 40 0 IIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222999492 557413949 /nfs/dbraw/zinc/41/39/49/557413949.db2.gz QUAGLXKILKSGIQ-UXHICEINSA-N 0 0 430.936 4.284 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223015804 557415857 /nfs/dbraw/zinc/41/58/57/557415857.db2.gz HQAUFSOGOMXOQT-AWEZNQCLSA-N 0 0 437.765 4.198 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000223034558 557418654 /nfs/dbraw/zinc/41/86/54/557418654.db2.gz OIDVOMVLLVZHFU-OAHLLOKOSA-N 0 0 435.387 4.095 40 0 IIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000223034266 557418710 /nfs/dbraw/zinc/41/87/10/557418710.db2.gz UGBZOCLBLSLIKC-GOSISDBHSA-N 0 0 445.903 4.189 40 0 IIABRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)c1 ZINC000014117220 557420552 /nfs/dbraw/zinc/42/05/52/557420552.db2.gz YDPTZWZYOICMCC-UHFFFAOYSA-N 0 0 439.566 4.351 40 0 IIABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000014117519 557420563 /nfs/dbraw/zinc/42/05/63/557420563.db2.gz MNWMIXIDZQHSGS-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN Cn1c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc54)C3=O)cc2n(C)c1=O ZINC000014132575 557421615 /nfs/dbraw/zinc/42/16/15/557421615.db2.gz KRTNABSFPVPWMC-FYJGNVAPSA-N 0 0 429.501 4.267 40 0 IIABRN CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000223052239 557421845 /nfs/dbraw/zinc/42/18/45/557421845.db2.gz RWYWDABBBDWDKW-QHCPKHFHSA-N 0 0 444.531 4.082 40 0 IIABRN COc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223061055 557423459 /nfs/dbraw/zinc/42/34/59/557423459.db2.gz QNLDXGJEOCFJOQ-SFHVURJKSA-N 0 0 428.598 4.428 40 0 IIABRN CN(c1ccc2sc(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)cc2c1)S(C)(=O)=O ZINC000223074710 557426662 /nfs/dbraw/zinc/42/66/62/557426662.db2.gz BUJUQPCXLJONFU-UHFFFAOYSA-N 0 0 444.513 4.079 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000223121908 557434593 /nfs/dbraw/zinc/43/45/93/557434593.db2.gz WUOOXLLSOJGCFC-RUZDIDTESA-N 0 0 430.548 4.014 40 0 IIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223128329 557435683 /nfs/dbraw/zinc/43/56/83/557435683.db2.gz FIMUYMFIYRRFRH-PKTZIBPZSA-N 0 0 442.987 4.375 40 0 IIABRN CCc1ccc(CC)c(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 ZINC000223164705 557440535 /nfs/dbraw/zinc/44/05/35/557440535.db2.gz RZIHOGWORIQKOS-UHFFFAOYSA-N 0 0 442.625 4.470 40 0 IIABRN C[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223171706 557441344 /nfs/dbraw/zinc/44/13/44/557441344.db2.gz FXNHCEMJFYGLJU-CYBMUJFWSA-N 0 0 441.380 4.126 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223174687 557441493 /nfs/dbraw/zinc/44/14/93/557441493.db2.gz AVWBUQNHQGPCDS-NRFANRHFSA-N 0 0 438.568 4.113 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000223175679 557441726 /nfs/dbraw/zinc/44/17/26/557441726.db2.gz YDXCEOWXTMWTPL-SANMLTNESA-N 0 0 444.575 4.458 40 0 IIABRN C[C@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223178902 557442204 /nfs/dbraw/zinc/44/22/04/557442204.db2.gz HCPLFCZSBBFEOR-ZDUSSCGKSA-N 0 0 441.380 4.126 40 0 IIABRN CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000026114972 557442237 /nfs/dbraw/zinc/44/22/37/557442237.db2.gz OGZXWUVRIQDWQG-UHFFFAOYSA-N 0 0 428.938 4.238 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC ZINC000223193060 557444058 /nfs/dbraw/zinc/44/40/58/557444058.db2.gz QOIJTWWTJLSAMV-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000014411871 557444604 /nfs/dbraw/zinc/44/46/04/557444604.db2.gz MWCTZHHPXKSYCG-LBPRGKRZSA-N 0 0 431.341 4.185 40 0 IIABRN COCc1nn2c(nnc3c2C[C@@H](C=Cc2ccccc2)CC3=O)c1-c1ccccc1OC ZINC000014607753 557448004 /nfs/dbraw/zinc/44/80/04/557448004.db2.gz AXKHIWROFVUPMD-QFQMRYFISA-N 0 0 440.503 4.405 40 0 IIABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)CCC2 ZINC000223233118 557449276 /nfs/dbraw/zinc/44/92/76/557449276.db2.gz MQAHRKTXUVJISC-SFHVURJKSA-N 0 0 426.582 4.231 40 0 IIABRN CCc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 ZINC000223239528 557449900 /nfs/dbraw/zinc/44/99/00/557449900.db2.gz LRZXKZXBKGPIFB-SFHVURJKSA-N 0 0 428.598 4.161 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000026119683 557450431 /nfs/dbraw/zinc/45/04/31/557450431.db2.gz DNONPYSYFFDIGD-UHFFFAOYSA-N 0 0 434.583 4.234 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223270456 557454117 /nfs/dbraw/zinc/45/41/17/557454117.db2.gz AHVZLNNDOTVUTH-JOCHJYFZSA-N 0 0 426.557 4.105 40 0 IIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1Cc1ccco1 ZINC000223300860 557457042 /nfs/dbraw/zinc/45/70/42/557457042.db2.gz LSQOKRIYUXLZCX-PMOQBDJRSA-N 0 0 436.581 4.293 40 0 IIABRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223319445 557458775 /nfs/dbraw/zinc/45/87/75/557458775.db2.gz FRIHMOIBRBZKAN-ZTCOLXNVSA-N 0 0 448.592 4.423 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1C[C@@H]1CCCO1 ZINC000223320831 557459016 /nfs/dbraw/zinc/45/90/16/557459016.db2.gz RLLAUQXSAJIPPF-ORYQWCPZSA-N 0 0 439.972 4.072 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000015438417 557462399 /nfs/dbraw/zinc/46/23/99/557462399.db2.gz BZZVYFRJSGYHHQ-UHFFFAOYSA-N 0 0 426.991 4.242 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223371430 557463714 /nfs/dbraw/zinc/46/37/14/557463714.db2.gz WNFQMLYHIVRFMS-LJQANCHMSA-N 0 0 437.005 4.331 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1NC(C)=O ZINC000223373627 557463950 /nfs/dbraw/zinc/46/39/50/557463950.db2.gz HMXZIKUXTHFIFX-HNNXBMFYSA-N 0 0 434.558 4.134 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1Cc1ccccc1 ZINC000223398364 557466684 /nfs/dbraw/zinc/46/66/84/557466684.db2.gz WAVHEBIWWLOYJE-DNQXCXABSA-N 0 0 425.561 4.499 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)cc1 ZINC000223404111 557467270 /nfs/dbraw/zinc/46/72/70/557467270.db2.gz QVZNWNKRRNCXQN-UHFFFAOYSA-N 0 0 436.892 4.454 40 0 IIABRN Cc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c2ccccc2)cc1 ZINC000223405111 557467508 /nfs/dbraw/zinc/46/75/08/557467508.db2.gz PAXLUVFSSBODPY-RUZDIDTESA-N 0 0 446.572 4.362 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223418674 557469760 /nfs/dbraw/zinc/46/97/60/557469760.db2.gz IJKQZNKAIFEILL-FQEVSTJZSA-N 0 0 434.989 4.135 40 0 IIABRN CCCOc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000223457086 557474429 /nfs/dbraw/zinc/47/44/29/557474429.db2.gz ILESKNZLNQWZLN-IBGZPJMESA-N 0 0 432.586 4.044 40 0 IIABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223471600 557475895 /nfs/dbraw/zinc/47/58/95/557475895.db2.gz WQPATKFSTCLVEG-ZEQRLZLVSA-N 0 0 441.560 4.449 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000016959860 557475893 /nfs/dbraw/zinc/47/58/93/557475893.db2.gz KAGKOGPXZZZSLF-UHFFFAOYSA-N 0 0 427.353 4.349 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O ZINC000223484196 557477823 /nfs/dbraw/zinc/47/78/23/557477823.db2.gz HRNGEXHNFHUSGZ-FQEVSTJZSA-N 0 0 446.613 4.434 40 0 IIABRN CCCC[C@@H](CC)CNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223486393 557478122 /nfs/dbraw/zinc/47/81/22/557478122.db2.gz HLKFEKZSEDCMPJ-LJQANCHMSA-N 0 0 432.586 4.223 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223503718 557480074 /nfs/dbraw/zinc/48/00/74/557480074.db2.gz STHATODBWYHMAZ-SFHVURJKSA-N 0 0 446.975 4.369 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223511348 557480930 /nfs/dbraw/zinc/48/09/30/557480930.db2.gz UABOLWMUZGXBTJ-INIZCTEOSA-N 0 0 438.977 4.081 40 0 IIABRN CCC1(CC)C[C@@H](NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223510995 557480934 /nfs/dbraw/zinc/48/09/34/557480934.db2.gz UOPQZFQJUFFIQM-HXUWFJFHSA-N 0 0 444.597 4.268 40 0 IIABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)COc4ccccc4)ccc3O)oc2c1 ZINC000017098428 557481073 /nfs/dbraw/zinc/48/10/73/557481073.db2.gz AIRPXNNBYSLBHA-UHFFFAOYSA-N 0 0 433.489 4.401 40 0 IIABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 ZINC000017098572 557481418 /nfs/dbraw/zinc/48/14/18/557481418.db2.gz LDTDEEDMYOSIRI-GFCCVEGCSA-N 0 0 433.574 4.264 40 0 IIABRN Cc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000223517156 557481572 /nfs/dbraw/zinc/48/15/72/557481572.db2.gz SBGWZUFONVGWHA-UHFFFAOYSA-N 0 0 432.973 4.460 40 0 IIABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3OC)cc2s1 ZINC000017096009 557487695 /nfs/dbraw/zinc/48/76/95/557487695.db2.gz FQOUVUKEBJRHHA-UHFFFAOYSA-N 0 0 428.539 4.170 40 0 IIABRN Cc1nc(NC(=S)NC(=O)c2ccccc2Br)ccc1Br ZINC000017096281 557488146 /nfs/dbraw/zinc/48/81/46/557488146.db2.gz CXANFILKHDXNGD-UHFFFAOYSA-N 0 0 429.137 4.042 40 0 IIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2Br)c(F)c1F ZINC000017101051 557489829 /nfs/dbraw/zinc/48/98/29/557489829.db2.gz RWQHDFPIMHYQPN-UHFFFAOYSA-N 0 0 437.212 4.141 40 0 IIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Br)cc2)c(F)c1F ZINC000017101055 557489898 /nfs/dbraw/zinc/48/98/98/557489898.db2.gz RPUUFRJGUYATCG-UHFFFAOYSA-N 0 0 437.212 4.141 40 0 IIABRN OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223591798 557489916 /nfs/dbraw/zinc/48/99/16/557489916.db2.gz CYAVQQKOKLHCSF-OALUTQOASA-N 0 0 444.354 4.069 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000223594462 557490164 /nfs/dbraw/zinc/49/01/64/557490164.db2.gz DKCIGNPKCZWKQM-UHFFFAOYSA-N 0 0 430.570 4.058 40 0 IIABRN COc1cc(OC)c(OC)c([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)c1 ZINC000017101398 557490298 /nfs/dbraw/zinc/49/02/98/557490298.db2.gz SWJQWRDJZZXACM-OAQYLSRUSA-N 0 0 437.496 4.303 40 0 IIABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1F ZINC000223601597 557490625 /nfs/dbraw/zinc/49/06/25/557490625.db2.gz OQJZNRRFPFACRR-UHFFFAOYSA-N 0 0 433.505 4.003 40 0 IIABRN CCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000017102395 557491310 /nfs/dbraw/zinc/49/13/10/557491310.db2.gz PHYDPNNYAYIIGX-UHFFFAOYSA-N 0 0 438.549 4.087 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000223627861 557493766 /nfs/dbraw/zinc/49/37/66/557493766.db2.gz XARNOXXAJGSERM-QFIPXVFZSA-N 0 0 440.584 4.413 40 0 IIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223629256 557494069 /nfs/dbraw/zinc/49/40/69/557494069.db2.gz LCYDPGNWTZVDIK-RPWUZVMVSA-N 0 0 428.561 4.380 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223629271 557494072 /nfs/dbraw/zinc/49/40/72/557494072.db2.gz IUBJNLGQWCTKPP-HXUWFJFHSA-N 0 0 440.584 4.278 40 0 IIABRN CCCSc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)s1 ZINC000223638836 557495205 /nfs/dbraw/zinc/49/52/05/557495205.db2.gz OHEXEEKWQKSSAB-UHFFFAOYSA-N 0 0 448.595 4.402 40 0 IIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccccc2Cl)no1 ZINC000223647293 557496789 /nfs/dbraw/zinc/49/67/89/557496789.db2.gz QLJWOOLMPFZYRE-UHFFFAOYSA-N 0 0 432.716 4.316 40 0 IIABRN CC[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223653451 557497743 /nfs/dbraw/zinc/49/77/43/557497743.db2.gz JNSOQMASNHQQTR-JOCHJYFZSA-N 0 0 446.613 4.032 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000223660964 557498686 /nfs/dbraw/zinc/49/86/86/557498686.db2.gz FTLDYKVLXUGLEK-FQEVSTJZSA-N 0 0 446.975 4.450 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223700901 557503927 /nfs/dbraw/zinc/50/39/27/557503927.db2.gz FVMLLNONNYQXOQ-LEWJYISDSA-N 0 0 439.562 4.361 40 0 IIABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1F ZINC000019645414 557504851 /nfs/dbraw/zinc/50/48/51/557504851.db2.gz RMAXVPWKQSPURG-UHFFFAOYSA-N 0 0 446.931 4.351 40 0 IIABRN Cc1nc(NC(=S)NC(=O)c2cccc3ccccc32)ccc1I ZINC000019645632 557504887 /nfs/dbraw/zinc/50/48/87/557504887.db2.gz ZHPBOYUCTSSAQH-UHFFFAOYSA-N 0 0 447.301 4.275 40 0 IIABRN CCc1cc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)ccc1OC ZINC000223711442 557504886 /nfs/dbraw/zinc/50/48/86/557504886.db2.gz HCCJTRYRUHEBAG-UHFFFAOYSA-N 0 0 429.513 4.454 40 0 IIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(I)cc1C ZINC000019631168 557507035 /nfs/dbraw/zinc/50/70/35/557507035.db2.gz QOUOIMHEZPTAOK-UHFFFAOYSA-N 0 0 440.306 4.043 40 0 IIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 ZINC000223747580 557508587 /nfs/dbraw/zinc/50/85/87/557508587.db2.gz YCWUMYGDYRKGGE-GOTSBHOMSA-N 0 0 427.533 4.453 40 0 IIABRN CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223776375 557511730 /nfs/dbraw/zinc/51/17/30/557511730.db2.gz MJFYTJHYASFCHX-UHFFFAOYSA-N 0 0 447.944 4.314 40 0 IIABRN Cc1ccccc1CN(C(=O)CCc1ccc2c(c1)OCO2)[C@@H](C)C(=O)NC1CCCC1 ZINC000223787769 557513410 /nfs/dbraw/zinc/51/34/10/557513410.db2.gz CBEBQMLYJLQNLX-IBGZPJMESA-N 0 0 436.552 4.132 40 0 IIABRN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020139459 557515702 /nfs/dbraw/zinc/51/57/02/557515702.db2.gz YPAGKZHOJCWOCI-NRFANRHFSA-N 0 0 440.979 4.002 40 0 IIABRN COc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223821608 557517414 /nfs/dbraw/zinc/51/74/14/557517414.db2.gz CVHJNDCESMSRCJ-KRWDZBQOSA-N 0 0 428.960 4.367 40 0 IIABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223830598 557518122 /nfs/dbraw/zinc/51/81/22/557518122.db2.gz XCDRDRYWDANQSL-QGZVFWFLSA-N 0 0 444.959 4.204 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1C(=O)N1CCCCCC1 ZINC000223855678 557521366 /nfs/dbraw/zinc/52/13/66/557521366.db2.gz QTXHXSTZRYICMI-UHFFFAOYSA-N 0 0 432.611 4.212 40 0 IIABRN CSc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000223855285 557521378 /nfs/dbraw/zinc/52/13/78/557521378.db2.gz MMXVJVKRUYOWAS-UHFFFAOYSA-N 0 0 446.638 4.410 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1C(C)(C)C ZINC000223885819 557525029 /nfs/dbraw/zinc/52/50/29/557525029.db2.gz YSGVTZDBWBEDKM-GOSISDBHSA-N 0 0 428.548 4.446 40 0 IIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223888555 557525298 /nfs/dbraw/zinc/52/52/98/557525298.db2.gz WDVGRVWHXRTGLN-LJQANCHMSA-N 0 0 426.532 4.297 40 0 IIABRN Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223888626 557525486 /nfs/dbraw/zinc/52/54/86/557525486.db2.gz BJCRHQCYTFRQDR-IBGZPJMESA-N 0 0 426.532 4.297 40 0 IIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)c1 ZINC000223894988 557526341 /nfs/dbraw/zinc/52/63/41/557526341.db2.gz TVNODKZNHAAMGP-IBGZPJMESA-N 0 0 437.565 4.082 40 0 IIABRN Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1C ZINC000223900394 557526714 /nfs/dbraw/zinc/52/67/14/557526714.db2.gz FMULHXODYWPWKJ-LJQANCHMSA-N 0 0 426.532 4.297 40 0 IIABRN CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3cccc(Oc4ccccc4)c3)ccc21 ZINC000223902909 557526983 /nfs/dbraw/zinc/52/69/83/557526983.db2.gz HOQVKDBCJRUNJS-UHFFFAOYSA-N 0 0 436.533 4.209 40 0 IIABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)[nH]1 ZINC000223921718 557529226 /nfs/dbraw/zinc/52/92/26/557529226.db2.gz DNQZVFLGLKHCAV-DHIUTWEWSA-N 0 0 433.581 4.040 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3cccc(C)c3C)c2)cc1 ZINC000223928228 557530031 /nfs/dbraw/zinc/53/00/31/557530031.db2.gz JWVNKPVSAYCNCE-UHFFFAOYSA-N 0 0 438.549 4.221 40 0 IIABRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccc(Cl)cc4)[C@@H]3c3cccs3)C2=O)cc1 ZINC000004166146 557531822 /nfs/dbraw/zinc/53/18/22/557531822.db2.gz VOOMCSJTSLNGRL-AQNXPRMDSA-N 0 0 440.908 4.461 40 0 IIABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 ZINC000223941948 557531935 /nfs/dbraw/zinc/53/19/35/557531935.db2.gz YUYFUKIGWMVZMU-RPWUZVMVSA-N 0 0 447.608 4.478 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(F)cc3)ccc2C)cc1 ZINC000223944038 557532191 /nfs/dbraw/zinc/53/21/91/557532191.db2.gz OCKAHSWZKPRBNF-UHFFFAOYSA-N 0 0 426.513 4.216 40 0 IIABRN Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000223952308 557533555 /nfs/dbraw/zinc/53/35/55/557533555.db2.gz ILRNYWMJSQPSKF-IBGZPJMESA-N 0 0 438.549 4.302 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223967180 557535979 /nfs/dbraw/zinc/53/59/79/557535979.db2.gz WPCWGEFDDPGEAQ-MRXNPFEDSA-N 0 0 434.989 4.135 40 0 IIABRN CCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223977226 557537831 /nfs/dbraw/zinc/53/78/31/557537831.db2.gz XNOHIXHYEKNVTF-UHFFFAOYSA-N 0 0 444.940 4.470 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1c1ccc2c(c1)OCO2 ZINC000224001360 557542153 /nfs/dbraw/zinc/54/21/53/557542153.db2.gz DGZSYYRGDDORSD-XZOQPEGZSA-N 0 0 441.516 4.173 40 0 IIABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000224001170 557542219 /nfs/dbraw/zinc/54/22/19/557542219.db2.gz BNFQLYJOEXECFB-UHFFFAOYSA-N 0 0 438.549 4.221 40 0 IIABRN Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C ZINC000224026458 557547081 /nfs/dbraw/zinc/54/70/81/557547081.db2.gz PAYJFBUPFMTDCI-LJQANCHMSA-N 0 0 438.549 4.302 40 0 IIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 ZINC000224029069 557547650 /nfs/dbraw/zinc/54/76/50/557547650.db2.gz ASUDOYBGULVWMC-HSZRJFAPSA-N 0 0 426.557 4.106 40 0 IIABRN COc1cccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224033390 557548654 /nfs/dbraw/zinc/54/86/54/557548654.db2.gz FPXHNCTZTJVNFH-HXUWFJFHSA-N 0 0 438.568 4.330 40 0 IIABRN Cc1cccc(N(Cc2ccc(C(=O)NCCSC3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000224040985 557550117 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ZMMJDKOZDVSBTP-JOCHJYFZSA-N 0 0 440.521 4.292 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000021006162 523247140 /nfs/dbraw/zinc/24/71/40/523247140.db2.gz WLJBAKDSVWOYOZ-UHFFFAOYSA-N 0 0 425.851 4.291 40 0 IIABRN COc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4F)cc3n2)cc1Cl ZINC000020610899 523350229 /nfs/dbraw/zinc/35/02/29/523350229.db2.gz SUVBGALFAODXMV-UHFFFAOYSA-N 0 0 426.835 4.239 40 0 IIABRN COCCCn1c(SCC(=O)c2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000012498482 523502415 /nfs/dbraw/zinc/50/24/15/523502415.db2.gz XQVRRENLKRRPAH-UHFFFAOYSA-N 0 0 428.579 4.267 40 0 IIABRN CCc1ccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2ccncc2)cc1 ZINC000035290419 523867221 /nfs/dbraw/zinc/86/72/21/523867221.db2.gz UFWDBGHIJRMNTM-UHFFFAOYSA-N 0 0 436.566 4.387 40 0 IIABRN COc1ccc(CC(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)cc1C ZINC000012159015 523902605 /nfs/dbraw/zinc/90/26/05/523902605.db2.gz HEFZKUDLDNPTOZ-UHFFFAOYSA-N 0 0 428.492 4.283 40 0 IIABRN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 ZINC000015985488 524000928 /nfs/dbraw/zinc/00/09/28/524000928.db2.gz NXCAHQUKNNWJNO-UHFFFAOYSA-N 0 0 438.549 4.101 40 0 IIABRN COCCOc1cccc(CN2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c1 ZINC000012230334 524054079 /nfs/dbraw/zinc/05/40/79/524054079.db2.gz CXKDKMAUHWUWNL-LJQANCHMSA-N 0 0 434.462 4.419 40 0 IIABRN COc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2cccc(C)c2)cc1 ZINC000012870348 524337843 /nfs/dbraw/zinc/33/78/43/524337843.db2.gz OKSZEMODPNYXNU-HXUWFJFHSA-N 0 0 438.553 4.158 40 0 IIABRN Cc1ccc(CN(C)C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020452147 524366058 /nfs/dbraw/zinc/36/60/58/524366058.db2.gz UBCVYKPOLBEKIC-UHFFFAOYSA-N 0 0 436.577 4.466 40 0 IIABRN COc1ccc(NC(=O)CCCSc2nnc3c(n2)[nH]c2ccc(F)cc23)c(OC)c1 ZINC000012495826 524478229 /nfs/dbraw/zinc/47/82/29/524478229.db2.gz JHXPDIRXPAQRKH-UHFFFAOYSA-N 0 0 441.488 4.173 40 0 IIABRN COc1ccccc1N1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015670026 524543863 /nfs/dbraw/zinc/54/38/63/524543863.db2.gz ACLBFNSWVCCWBD-UHFFFAOYSA-N 0 0 440.931 4.070 40 0 IIABRN COc1ccccc1[C@@H](c1nnnn1C(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035313873 524743882 /nfs/dbraw/zinc/74/38/82/524743882.db2.gz CYPVQXHFNDJYLX-QFIPXVFZSA-N 0 0 440.979 4.136 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000012471503 524877454 /nfs/dbraw/zinc/87/74/54/524877454.db2.gz KIRZZVMWMYJHDX-NRFANRHFSA-N 0 0 435.553 4.079 40 0 IIABRN C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000022397713 524949305 /nfs/dbraw/zinc/94/93/05/524949305.db2.gz DOUWKRPQZXHOGK-AWEZNQCLSA-N 0 0 436.505 4.099 40 0 IIABRN COc1ncc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ccsc2)c(OC)n1 ZINC000012327602 524992101 /nfs/dbraw/zinc/99/21/01/524992101.db2.gz OVSWIMXDLXIRGL-UHFFFAOYSA-N 0 0 449.492 4.020 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1C ZINC000022379370 525011746 /nfs/dbraw/zinc/01/17/46/525011746.db2.gz ZRRBASVWPSNCLB-UHFFFAOYSA-N 0 0 438.549 4.454 40 0 IIABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)o3)C2=O)cc1 ZINC000012447834 525050917 /nfs/dbraw/zinc/05/09/17/525050917.db2.gz NNLXRJBTEFWCIJ-QGOAFFKASA-N 0 0 425.510 4.253 40 0 IIABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000020493048 525068896 /nfs/dbraw/zinc/06/88/96/525068896.db2.gz YZFSCSVOUIQGJJ-LJQANCHMSA-N 0 0 442.625 4.403 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000020489613 525070107 /nfs/dbraw/zinc/07/01/07/525070107.db2.gz JWPNOEXHKTYUGG-QFIPXVFZSA-N 0 0 444.597 4.387 40 0 IIABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)cc1Cl ZINC000012882264 525080221 /nfs/dbraw/zinc/08/02/21/525080221.db2.gz WHVGKCUFVXBCLH-UHFFFAOYSA-N 0 0 442.972 4.351 40 0 IIABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC ZINC000020454118 525112979 /nfs/dbraw/zinc/11/29/79/525112979.db2.gz MKDBXFSNYKVIGU-MRXNPFEDSA-N 0 0 428.554 4.449 40 0 IIABRN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)c1ccc(F)cc1 ZINC000022540037 525290956 /nfs/dbraw/zinc/29/09/56/525290956.db2.gz WSILDOVPSIHPPO-UTKZUKDTSA-N 0 0 440.540 4.257 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000018212395 525520073 /nfs/dbraw/zinc/52/00/73/525520073.db2.gz OQKMESKLAANFGR-LJQANCHMSA-N 0 0 440.609 4.152 40 0 IIABRN Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccc(F)cc1 ZINC000012867843 525868957 /nfs/dbraw/zinc/86/89/57/525868957.db2.gz NHPUADIZPDLUQW-INIZCTEOSA-N 0 0 432.546 4.350 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c(C)c1 ZINC000022342121 525889215 /nfs/dbraw/zinc/88/92/15/525889215.db2.gz DHWJRHIGXCVQAP-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1C ZINC000022342131 525890811 /nfs/dbraw/zinc/89/08/11/525890811.db2.gz CMSHQKIHYWUANT-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)on1 ZINC000012159218 526045184 /nfs/dbraw/zinc/04/51/84/526045184.db2.gz YGMCPFAWHZPRCX-UHFFFAOYSA-N 0 0 445.498 4.171 40 0 IIABRN Cc1cc(-c2cnc(NCc3ccc(F)cc3)nc2-c2ccc(N3CCOCC3)nc2)on1 ZINC000019124023 526045318 /nfs/dbraw/zinc/04/53/18/526045318.db2.gz RFPIVLNWTMDDDC-UHFFFAOYSA-N 0 0 446.486 4.090 40 0 IIABRN C[C@H](C(=O)NCc1ccco1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466372 526089514 /nfs/dbraw/zinc/08/95/14/526089514.db2.gz GLMIPOICBAYVRZ-WRDAWAIASA-N 0 0 446.632 4.276 40 0 biogenic,in-vitro IIABRN Cc1ccc2nc(CSc3ccccc3NC(=O)COc3ccc(F)cc3)cc(=O)n2c1 ZINC000041076897 526250688 /nfs/dbraw/zinc/25/06/88/526250688.db2.gz BSKNADJOMIKFBF-UHFFFAOYSA-N 0 0 449.507 4.452 40 0 IIABRN O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000040895711 526672443 /nfs/dbraw/zinc/67/24/43/526672443.db2.gz SFRQIPRTNYHJHP-HSZRJFAPSA-N 0 0 445.494 4.116 40 0 in-vitro IIABRN O=C(NCc1ccccc1)[C@H](c1cccnc1)N(C(=O)c1ccccn1)c1ccccc1F ZINC000015936038 526735615 /nfs/dbraw/zinc/73/56/15/526735615.db2.gz ZSBALZSTBPSMIZ-DEOSSOPVSA-N 0 0 440.478 4.320 40 0 IIABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012870178 526735841 /nfs/dbraw/zinc/73/58/41/526735841.db2.gz HGPAKHSKDDGHAC-QFIPXVFZSA-N 0 0 446.507 4.382 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000035314997 526736011 /nfs/dbraw/zinc/73/60/11/526736011.db2.gz UKFWYKOYSAGMHC-JOCHJYFZSA-N 0 0 431.517 4.436 40 0 IIABRN Cc1sc(NC(=O)CN(C(=O)c2cccc(C)c2)C2CCCCC2)c(C(N)=O)c1C ZINC000035292385 526881050 /nfs/dbraw/zinc/88/10/50/526881050.db2.gz RMLQGGNPXAPXEU-UHFFFAOYSA-N 0 0 427.570 4.186 40 0 IIABRN Cc1sc2c(c1C)C(c1ccccc1Cl)=NCC(=O)N2CC(=O)N1CCCCC1 ZINC000012701253 526887402 /nfs/dbraw/zinc/88/74/02/526887402.db2.gz SVXSYUBDKPBCFS-UHFFFAOYSA-N 0 0 429.973 4.215 40 0 IIABRN O=C(COc1ccc2ccccc2c1Br)NCc1ccc(-n2ccnc2)cc1 ZINC000020489825 526973240 /nfs/dbraw/zinc/97/32/40/526973240.db2.gz JTLVCQINTSORBP-UHFFFAOYSA-N 0 0 436.309 4.483 40 0 IIABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020451703 527332882 /nfs/dbraw/zinc/33/28/82/527332882.db2.gz AZFWTFZMIJTELQ-UHFFFAOYSA-N 0 0 426.460 4.273 40 0 IIABRN O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000012870971 527507666 /nfs/dbraw/zinc/50/76/66/527507666.db2.gz ZVHSGKXAFPBZFW-GOSISDBHSA-N 0 0 430.917 4.231 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1csnn1 ZINC000035292269 527514388 /nfs/dbraw/zinc/51/43/88/527514388.db2.gz WXSVCZKMNKHLNH-JOCHJYFZSA-N 0 0 434.565 4.371 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871921 527515602 /nfs/dbraw/zinc/51/56/02/527515602.db2.gz IGAZQSSIEBQMDH-HXUWFJFHSA-N 0 0 442.516 4.103 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000034761994 555508415 /nfs/dbraw/zinc/50/84/15/555508415.db2.gz BYLBZHWXPNAONP-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN CN(Cc1ccccc1)C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000642083 555518667 /nfs/dbraw/zinc/51/86/67/555518667.db2.gz ZSFDJUQHOJTJLZ-UHFFFAOYSA-N 0 0 434.989 4.322 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(F)cc2)cc1 ZINC000034887867 555553888 /nfs/dbraw/zinc/55/38/88/555553888.db2.gz ULTBABSEQDXYIF-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN CC[C@@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC ZINC000000974356 555592099 /nfs/dbraw/zinc/59/20/99/555592099.db2.gz BCBIYPMOHATPKE-NDXORKPFSA-N 0 0 447.256 4.043 40 0 IIABRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3n2)cc1 ZINC000001264765 555688436 /nfs/dbraw/zinc/68/84/36/555688436.db2.gz OROQSRCTAMSCCT-UHFFFAOYSA-N 0 0 431.521 4.173 40 0 IIABRN COc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000001346556 555691572 /nfs/dbraw/zinc/69/15/72/555691572.db2.gz FFVOAVLPYTVYTJ-UHFFFAOYSA-N 0 0 443.891 4.347 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001455309 555700042 /nfs/dbraw/zinc/70/00/42/555700042.db2.gz VVKICZFLKWCCBF-GOSISDBHSA-N 0 0 430.504 4.139 40 0 IIABRN CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408536444 555764680 /nfs/dbraw/zinc/76/46/80/555764680.db2.gz ZNEDEWGSRAHQCL-UHFFFAOYSA-N 0 0 431.341 4.088 40 0 IIABRN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408535758 555764951 /nfs/dbraw/zinc/76/49/51/555764951.db2.gz WGQGXEXCFNDUIG-GFCCVEGCSA-N 0 0 431.316 4.172 40 0 IIABRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)cc1C ZINC000408545082 555793652 /nfs/dbraw/zinc/79/36/52/555793652.db2.gz YJJVLASQVBZFPZ-UHFFFAOYSA-N 0 0 433.331 4.287 40 0 IIABRN C[C@@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408546616 555801724 /nfs/dbraw/zinc/80/17/24/555801724.db2.gz FYCXMRLBBMSAFM-ZDUSSCGKSA-N 0 0 447.409 4.056 40 0 IIABRN Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 ZINC000408549876 555831039 /nfs/dbraw/zinc/83/10/39/555831039.db2.gz ARHITAJOYMTJFH-KGENOOAVSA-N 0 0 436.533 4.233 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408551907 555878713 /nfs/dbraw/zinc/87/87/13/555878713.db2.gz NKBBEUOACYXNEY-OAHLLOKOSA-N 0 0 428.485 4.126 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408552522 555880305 /nfs/dbraw/zinc/88/03/05/555880305.db2.gz QLWXUTOEOHNTRB-UHFFFAOYSA-N 0 0 442.924 4.352 40 0 IIABRN CCOc1cc(C(=O)Nc2cccc(F)c2)cc(I)c1OCC ZINC000408558361 555897457 /nfs/dbraw/zinc/89/74/57/555897457.db2.gz UCFJNBDVZGAYNF-UHFFFAOYSA-N 0 0 429.229 4.480 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1NC(=O)c1ccccc1C ZINC000408558437 555897548 /nfs/dbraw/zinc/89/75/48/555897548.db2.gz IZSIGICEINUNAA-UHFFFAOYSA-N 0 0 436.533 4.003 40 0 IIABRN O=C(Nc1cccc(F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408558860 555898400 /nfs/dbraw/zinc/89/84/00/555898400.db2.gz KMAIZSSSNIUJTL-HXUWFJFHSA-N 0 0 432.904 4.007 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1C ZINC000408559255 555898616 /nfs/dbraw/zinc/89/86/16/555898616.db2.gz WEQGOPAKRUEXNZ-UHFFFAOYSA-N 0 0 430.570 4.050 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3C)C2)cc1C ZINC000408559711 555899253 /nfs/dbraw/zinc/89/92/53/555899253.db2.gz XRWVXWGBNVOGBK-LJQANCHMSA-N 0 0 430.570 4.050 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C)C1 ZINC000408559966 555899552 /nfs/dbraw/zinc/89/95/52/555899552.db2.gz NUJBSCYSAHZGQK-INIZCTEOSA-N 0 0 436.961 4.005 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000408560738 555902008 /nfs/dbraw/zinc/90/20/08/555902008.db2.gz PRPJNGUHHYVICP-NRFANRHFSA-N 0 0 446.931 4.316 40 0 IIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)N1CCCCC1 ZINC000408560796 555902324 /nfs/dbraw/zinc/90/23/24/555902324.db2.gz FDBWSLPJFCGWPV-UHFFFAOYSA-N 0 0 438.347 4.268 40 0 IIABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000408564547 555917693 /nfs/dbraw/zinc/91/76/93/555917693.db2.gz ZKFZSFAIJUWWQJ-UHFFFAOYSA-N 0 0 436.961 4.149 40 0 IIABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408582543 555933882 /nfs/dbraw/zinc/93/38/82/555933882.db2.gz DCONYSSGPGWLCM-UHFFFAOYSA-N 0 0 426.336 4.027 40 0 IIABRN C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408582643 555933895 /nfs/dbraw/zinc/93/38/95/555933895.db2.gz DZRPMRQMDPBDMO-LJQANCHMSA-N 0 0 429.586 4.394 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NC1CCCCCCC1 ZINC000408585565 555936248 /nfs/dbraw/zinc/93/62/48/555936248.db2.gz ZTQWNRZFTNDGLK-UHFFFAOYSA-N 0 0 443.009 4.123 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC(=O)c1ccc(C)cc1 ZINC000408587359 555937577 /nfs/dbraw/zinc/93/75/77/555937577.db2.gz UGPUKLXLDXTKGG-UHFFFAOYSA-N 0 0 436.533 4.397 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC(=O)c1ccccc1C ZINC000408587352 555937582 /nfs/dbraw/zinc/93/75/82/555937582.db2.gz UDJZWGZEBGVDPU-UHFFFAOYSA-N 0 0 436.533 4.397 40 0 IIABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408590137 555947422 /nfs/dbraw/zinc/94/74/22/555947422.db2.gz JNFOYDHKWLJWAP-SFHVURJKSA-N 0 0 430.570 4.320 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 ZINC000408591986 555952553 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CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000408619069 555982814 /nfs/dbraw/zinc/98/28/14/555982814.db2.gz LORSIHMRLLSKFQ-UHFFFAOYSA-N 0 0 444.597 4.261 40 0 IIABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000408614557 555985269 /nfs/dbraw/zinc/98/52/69/555985269.db2.gz DQGPWMPJYSEACA-NRFANRHFSA-N 0 0 441.531 4.225 40 0 IIABRN O=C(NC1CCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408615865 555986866 /nfs/dbraw/zinc/98/68/66/555986866.db2.gz UAEDBUTYXKCTRM-HNNXBMFYSA-N 0 0 425.916 4.004 40 0 IIABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000408616151 555986997 /nfs/dbraw/zinc/98/69/97/555986997.db2.gz WOROQXODMYCWQE-LJQANCHMSA-N 0 0 445.494 4.056 40 0 IIABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 ZINC000408616841 555988034 /nfs/dbraw/zinc/98/80/34/555988034.db2.gz BGYASRUPGKTCGD-UHFFFAOYSA-N 0 0 431.341 4.008 40 0 IIABRN CCc1ccccc1N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(C)(=O)=O ZINC000408620078 555989364 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IIABRN O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408645952 556022102 /nfs/dbraw/zinc/02/21/02/556022102.db2.gz NSJKIAFIUIAKIC-UHFFFAOYSA-N 0 0 435.185 4.290 40 0 IIABRN O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)Nc1ccccc1C(F)(F)F ZINC000408646877 556022498 /nfs/dbraw/zinc/02/24/98/556022498.db2.gz QSFYCBHLFGPIOE-UHFFFAOYSA-N 0 0 434.292 4.002 40 0 IIABRN O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408643661 556024214 /nfs/dbraw/zinc/02/42/14/556024214.db2.gz BFFRQJUYZNYOEF-UHFFFAOYSA-N 0 0 434.292 4.002 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 ZINC000408644777 556025145 /nfs/dbraw/zinc/02/51/45/556025145.db2.gz RTZLXFPLPAXBHG-MRXNPFEDSA-N 0 0 444.915 4.297 40 0 IIABRN C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408652174 556025653 /nfs/dbraw/zinc/02/56/53/556025653.db2.gz FOWKOKPYKHALMV-UKRRQHHQSA-N 0 0 435.307 4.085 40 0 IIABRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)ccc1Br ZINC000408655571 556034047 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CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000408665116 556048850 /nfs/dbraw/zinc/04/88/50/556048850.db2.gz UIDDUKVCFUNVEV-UHFFFAOYSA-N 0 0 437.279 4.097 40 0 IIABRN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 ZINC000408664960 556053020 /nfs/dbraw/zinc/05/30/20/556053020.db2.gz QBPNTITXMGYNER-IWMITWMQSA-N 0 0 448.519 4.025 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)cc1C ZINC000408667229 556055457 /nfs/dbraw/zinc/05/54/57/556055457.db2.gz SBZFEDBIGJABJE-RTOPAQNCSA-N 0 0 448.519 4.025 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000408670964 556060592 /nfs/dbraw/zinc/06/05/92/556060592.db2.gz XVTPQESGDHJYQN-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)c1 ZINC000408671287 556060809 /nfs/dbraw/zinc/06/08/09/556060809.db2.gz ZAATZFNFRGGULI-RTOPAQNCSA-N 0 0 448.519 4.025 40 0 IIABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1 ZINC000408677701 556071314 /nfs/dbraw/zinc/07/13/14/556071314.db2.gz QVOSCXFZDRBSJA-UHFFFAOYSA-N 0 0 430.570 4.429 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1OCC ZINC000408678334 556072795 /nfs/dbraw/zinc/07/27/95/556072795.db2.gz FUCXGGMREWGGEA-UHFFFAOYSA-N 0 0 429.991 4.349 40 0 IIABRN COC(=O)c1ccccc1NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn21 ZINC000408680375 556075279 /nfs/dbraw/zinc/07/52/79/556075279.db2.gz YMXXDKBSVVHLCA-UHFFFAOYSA-N 0 0 428.444 4.223 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 ZINC000408681262 556076344 /nfs/dbraw/zinc/07/63/44/556076344.db2.gz HMUCCGLIRNSRBR-OAQYLSRUSA-N 0 0 444.535 4.097 40 0 IIABRN O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408678757 556076761 /nfs/dbraw/zinc/07/67/61/556076761.db2.gz VCMOPCDHYUZXMV-UHFFFAOYSA-N 0 0 445.469 4.416 40 0 IIABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1CC ZINC000035351134 556080652 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556268047 /nfs/dbraw/zinc/26/80/47/556268047.db2.gz QNJNMZQLGOVHKS-GZTJUZNOSA-N 0 0 443.477 4.111 40 0 IIABRN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000009311712 556279985 /nfs/dbraw/zinc/27/99/85/556279985.db2.gz WKFVBPJJILMSGM-ODLFYWEKSA-N 0 0 445.468 4.013 40 0 IIABRN CC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714164 556286002 /nfs/dbraw/zinc/28/60/02/556286002.db2.gz KZTJDPRUUSNONV-INIZCTEOSA-N 0 0 445.766 4.286 40 0 IIABRN CC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715896 556287302 /nfs/dbraw/zinc/28/73/02/556287302.db2.gz KCPJJASUKVWYCP-JOCHJYFZSA-N 0 0 440.540 4.276 40 0 IIABRN CC[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716136 556287414 /nfs/dbraw/zinc/28/74/14/556287414.db2.gz QJYUUXWFEKMJFQ-SFHVURJKSA-N 0 0 439.375 4.249 40 0 IIABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1Cl ZINC000010008689 556320727 /nfs/dbraw/zinc/32/07/27/556320727.db2.gz YMCNZUIEWZSQMS-UHFFFAOYSA-N 0 0 434.989 4.262 40 0 IIABRN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000010008734 556320831 /nfs/dbraw/zinc/32/08/31/556320831.db2.gz SXNFFEKFIWYXDN-UHFFFAOYSA-N 0 0 444.597 4.087 40 0 IIABRN COc1ccc(-c2c(C(C)C)nn3c2nnc2c3C[C@@H](c3ccco3)CC2=O)cc1OC ZINC000010156997 556327141 /nfs/dbraw/zinc/32/71/41/556327141.db2.gz JNMRVLQQMWQCKN-OAHLLOKOSA-N 0 0 432.480 4.438 40 0 IIABRN CC[C@@H](C)NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000010330389 556332211 /nfs/dbraw/zinc/33/22/11/556332211.db2.gz UOIBBXWWPAUKKP-CYBMUJFWSA-N 0 0 429.369 4.488 40 0 IIABRN CC(C)C(NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C(C)C ZINC000010694430 556337566 /nfs/dbraw/zinc/33/75/66/556337566.db2.gz DEQKHUGBSVZAHH-OAHLLOKOSA-N 0 0 449.444 4.332 40 0 IIABRN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000010691565 556337618 /nfs/dbraw/zinc/33/76/18/556337618.db2.gz QAILNPJMBFIJFW-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(NCCSCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000011241253 556340186 /nfs/dbraw/zinc/34/01/86/556340186.db2.gz NOXABIQESBYPRO-UHFFFAOYSA-N 0 0 444.553 4.290 40 0 IIABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000011582343 556342296 /nfs/dbraw/zinc/34/22/96/556342296.db2.gz KHWAVBYANPTJJF-FKBYEOEOSA-N 0 0 434.879 4.400 40 0 IIABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cc1 ZINC000014004424 556353805 /nfs/dbraw/zinc/35/38/05/556353805.db2.gz KHBOIQBAKXSSCE-QGZVFWFLSA-N 0 0 440.521 4.292 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2)cc1 ZINC000011916911 556376596 /nfs/dbraw/zinc/37/65/96/556376596.db2.gz SEFPANMOYZRODF-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000014227863 556395421 /nfs/dbraw/zinc/39/54/21/556395421.db2.gz ZHNXZXFCRVIJBM-NSHDSACASA-N 0 0 426.694 4.130 40 0 IIABRN O=C(c1cc(F)cc(F)c1)N1CCC2(C[C@@]3(CO2)Nc2ccccc2-n2cccc23)CC1 ZINC000012086206 556399747 /nfs/dbraw/zinc/39/97/47/556399747.db2.gz 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CCn1nc(C)c2c1nc(C)cc2C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000036612141 556506133 /nfs/dbraw/zinc/50/61/33/556506133.db2.gz NMLNPCQVKNRZML-UHFFFAOYSA-N 0 0 431.462 4.049 40 0 IIABRN Cc1ccn(C[C@H](C)CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)n1 ZINC000036613578 556507849 /nfs/dbraw/zinc/50/78/49/556507849.db2.gz SMZJUBHAUFFSDV-QGZVFWFLSA-N 0 0 442.567 4.236 40 0 IIABRN CC(C)(C)SCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000030857420 556510476 /nfs/dbraw/zinc/51/04/76/556510476.db2.gz RSWOLRKWDBBPKR-UHFFFAOYSA-N 0 0 426.991 4.402 40 0 IIABRN CSc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccc(C)cc2)cc1 ZINC000030863407 556511707 /nfs/dbraw/zinc/51/17/07/556511707.db2.gz WZZXYQKJXZMOMM-UHFFFAOYSA-N 0 0 432.611 4.313 40 0 IIABRN Cc1ccc([C@H](NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030870887 556513463 /nfs/dbraw/zinc/51/34/63/556513463.db2.gz GUARSQVPZADIBZ-RUZDIDTESA-N 0 0 436.577 4.284 40 0 IIABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 ZINC000030872553 556513798 /nfs/dbraw/zinc/51/37/98/556513798.db2.gz XIZLFKKPBQUXCC-QGZVFWFLSA-N 0 0 438.524 4.496 40 0 IIABRN CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2=O)cc1 ZINC000013566686 556519781 /nfs/dbraw/zinc/51/97/81/556519781.db2.gz CBJMDBGXNYJCDF-SFHVURJKSA-N 0 0 449.551 4.138 40 0 IIABRN CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C(=O)c1ccc(Br)cc1)C(C)C ZINC000015320945 556520403 /nfs/dbraw/zinc/52/04/03/556520403.db2.gz JKYWIBVRPSOIRT-OWCLPIDISA-N 0 0 425.319 4.035 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000013580637 556527171 /nfs/dbraw/zinc/52/71/71/556527171.db2.gz BIPNMUBQWLBSIH-QGZVFWFLSA-N 0 0 442.512 4.027 40 0 IIABRN COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)c(OC)c1 ZINC000031860922 556527522 /nfs/dbraw/zinc/52/75/22/556527522.db2.gz KRINWZZUUKORDT-FKIJXQQXSA-N 0 0 427.497 4.023 40 0 IIABRN CCN(CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C)OCO3 ZINC000031861167 556527555 /nfs/dbraw/zinc/52/75/55/556527555.db2.gz FEMIEKUWTKIHRN-PINLKFFASA-N 0 0 429.513 4.269 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC ZINC000013581393 556527768 /nfs/dbraw/zinc/52/77/68/556527768.db2.gz IAUKQERSROUKNL-UHFFFAOYSA-N 0 0 431.341 4.285 40 0 IIABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581705 556528061 /nfs/dbraw/zinc/52/80/61/556528061.db2.gz HKMDXZOFJUZTTB-IBGZPJMESA-N 0 0 444.597 4.011 40 0 IIABRN Cc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1C ZINC000032125079 556534283 /nfs/dbraw/zinc/53/42/83/556534283.db2.gz NLZZPBNEPUAYJV-UHFFFAOYSA-N 0 0 443.547 4.283 40 0 IIABRN Cc1ccc(C(=O)NC(=S)Nc2ncc(I)cc2C)cc1Cl ZINC000032125222 556534595 /nfs/dbraw/zinc/53/45/95/556534595.db2.gz CUENUJWAXBUWOE-UHFFFAOYSA-N 0 0 445.713 4.083 40 0 IIABRN CCOc1cccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)c1 ZINC000013613158 556535015 /nfs/dbraw/zinc/53/50/15/556535015.db2.gz KQYNPYXRLRFEHJ-UHFFFAOYSA-N 0 0 438.549 4.482 40 0 IIABRN CCOc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000013632713 556539872 /nfs/dbraw/zinc/53/98/72/556539872.db2.gz PRIFOMFZRDKTHR-UHFFFAOYSA-N 0 0 438.549 4.149 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3cccc(Cl)c3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508731 556540641 /nfs/dbraw/zinc/54/06/41/556540641.db2.gz GOJCCQAJPRXODF-QZTJIDSGSA-N 0 0 441.405 4.264 40 0 IIABRN COC(=O)[C@@H](CC(=O)Nc1ccccc1)Nc1ccccc1OC(=O)c1ccc(F)cc1 ZINC000013637251 556541511 /nfs/dbraw/zinc/54/15/11/556541511.db2.gz GCGOPUNDIGEUMM-HXUWFJFHSA-N 0 0 436.439 4.027 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3cccc(C)c3)cc2)cc1 ZINC000013646241 556543612 /nfs/dbraw/zinc/54/36/12/556543612.db2.gz LFKHZEIBTNOSEG-UHFFFAOYSA-N 0 0 436.577 4.491 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000013646908 556543874 /nfs/dbraw/zinc/54/38/74/556543874.db2.gz XTFWWCJKAQCZDS-MRXNPFEDSA-N 0 0 432.973 4.496 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1cccc(F)c1)N2c1cc(Cl)cc(Cl)c1 ZINC000032639893 556544051 /nfs/dbraw/zinc/54/40/51/556544051.db2.gz HMXOJTDESCQUTK-SJORKVTESA-N 0 0 445.368 4.408 40 0 IIABRN C[C@@H]1CCCN(C(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)C1 ZINC000013670418 556551337 /nfs/dbraw/zinc/55/13/37/556551337.db2.gz BWJRLQNIOFDWHJ-OAHLLOKOSA-N 0 0 441.380 4.447 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2cccc(C)c2)cc1 ZINC000013670978 556551823 /nfs/dbraw/zinc/55/18/23/556551823.db2.gz JDQPNAVMDBRXTK-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN Cc1cccc(CCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000013673043 556553300 /nfs/dbraw/zinc/55/33/00/556553300.db2.gz VFAZUJGXSBULAM-UHFFFAOYSA-N 0 0 436.577 4.324 40 0 IIABRN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013676894 556554786 /nfs/dbraw/zinc/55/47/86/556554786.db2.gz ZCJAVGZYAWKFCV-CYBMUJFWSA-N 0 0 445.343 4.313 40 0 IIABRN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013677338 556555176 /nfs/dbraw/zinc/55/51/76/556555176.db2.gz JVSPZAHDSPETOQ-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000013679822 556556037 /nfs/dbraw/zinc/55/60/37/556556037.db2.gz CZCRZEPIHGHJTJ-HNNXBMFYSA-N 0 0 441.380 4.482 40 0 IIABRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)S2)cc1 ZINC000016161935 556586511 /nfs/dbraw/zinc/58/65/11/556586511.db2.gz ZKJJNDCSAGXMIO-QTQQGTETSA-N 0 0 433.327 4.340 40 0 IIABRN COc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1Br ZINC000016226695 556592832 /nfs/dbraw/zinc/59/28/32/556592832.db2.gz BBXUFKUYMSNGCK-UHFFFAOYSA-N 0 0 444.148 4.347 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1OC ZINC000036631347 556599103 /nfs/dbraw/zinc/59/91/03/556599103.db2.gz VDIFEHYXUXRSNQ-UHFFFAOYSA-N 0 0 435.889 4.050 40 0 IIABRN CCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000036628264 556599153 /nfs/dbraw/zinc/59/91/53/556599153.db2.gz LIFPRXUEBYRVNI-UHFFFAOYSA-N 0 0 425.536 4.455 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1c(Cl)cccc1Cl ZINC000016384057 556604289 /nfs/dbraw/zinc/60/42/89/556604289.db2.gz BBQYSUGKHCHZCK-UHFFFAOYSA-N 0 0 443.352 4.186 40 0 IIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(I)c1)c1ccc(C)cc1 ZINC000038751977 556615779 /nfs/dbraw/zinc/61/57/79/556615779.db2.gz NQPCCBVNEDWPBI-INIZCTEOSA-N 0 0 445.322 4.038 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000038753942 556616755 /nfs/dbraw/zinc/61/67/55/556616755.db2.gz YKWPPTCLYUJRNN-LJQANCHMSA-N 0 0 444.597 4.368 40 0 IIABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000038754324 556616926 /nfs/dbraw/zinc/61/69/26/556616926.db2.gz MSRIYZBEWWHTFJ-NRFANRHFSA-N 0 0 434.989 4.149 40 0 IIABRN COc1cccc(NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)c1 ZINC000038773104 556619697 /nfs/dbraw/zinc/61/96/97/556619697.db2.gz BJKPAEYKLBJOAB-UHFFFAOYSA-N 0 0 427.526 4.301 40 0 IIABRN COc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1 ZINC000038834660 556622819 /nfs/dbraw/zinc/62/28/19/556622819.db2.gz BGCQFCDAFVCALT-UHFFFAOYSA-N 0 0 433.346 4.317 40 0 IIABRN C[C@@]1(O)CCN(C(=O)C2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289799 556624395 /nfs/dbraw/zinc/62/43/95/556624395.db2.gz GKPMSAIOVAQNOH-JCYRPKCISA-N 0 0 438.543 4.229 40 0 biogenic,in-vitro IIABRN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2ccc3c(c2)OCO3)CC[C@@]1(C)O ZINC000514290010 556625866 /nfs/dbraw/zinc/62/58/66/556625866.db2.gz UTDGYJCBFFKFTQ-WPFOTENUSA-N 0 0 444.597 4.096 40 0 biogenic,in-vitro IIABRN O=C(C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000039964026 556631057 /nfs/dbraw/zinc/63/10/57/556631057.db2.gz PXTZRTUGZFPXBR-JOCHJYFZSA-N 0 0 428.467 4.335 40 0 IIABRN O=C(C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000039964022 556631124 /nfs/dbraw/zinc/63/11/24/556631124.db2.gz PXOFTRASHMNJAN-JOCHJYFZSA-N 0 0 428.467 4.335 40 0 IIABRN CCN(CC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985183 556631524 /nfs/dbraw/zinc/63/15/24/556631524.db2.gz RBKGNPHBVGNZBM-UHFFFAOYSA-N 0 0 447.354 4.252 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2Cl)cc1Cl ZINC000039986498 556632988 /nfs/dbraw/zinc/63/29/88/556632988.db2.gz FJNILWDYJAOSGV-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN Cc1ccc2[nH]cc(CCn3ccc4c(nnc5c(-c6ccc(F)cc6)cnn54)c3=O)c2c1 ZINC000040391493 556637965 /nfs/dbraw/zinc/63/79/65/556637965.db2.gz BCNKNDLIGSMERN-UHFFFAOYSA-N 0 0 438.466 4.278 40 0 IIABRN COc1cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2N)cc(OC)c1OC ZINC000016756157 556639290 /nfs/dbraw/zinc/63/92/90/556639290.db2.gz QYKBVWKJQWVFLL-UHFFFAOYSA-N 0 0 441.340 4.284 40 0 IIABRN O=C(NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 ZINC000017099748 556664965 /nfs/dbraw/zinc/66/49/65/556664965.db2.gz XNVSRKRSOYKENR-UHFFFAOYSA-N 0 0 435.892 4.267 40 0 IIABRN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1 ZINC000044845296 556669466 /nfs/dbraw/zinc/66/94/66/556669466.db2.gz ZSHWHSBCWOBLSQ-UHFFFAOYSA-N 0 0 434.989 4.341 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000044846923 556669765 /nfs/dbraw/zinc/66/97/65/556669765.db2.gz OOJCACXGVKIFHD-CYBMUJFWSA-N 0 0 445.368 4.036 40 0 IIABRN CC(C)C[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000044880321 556674096 /nfs/dbraw/zinc/67/40/96/556674096.db2.gz GVYWWNYWDRLREP-IBGZPJMESA-N 0 0 426.941 4.149 40 0 IIABRN CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1OCC ZINC000044903531 556679087 /nfs/dbraw/zinc/67/90/87/556679087.db2.gz BZEAQEFIZAFMNP-UHFFFAOYSA-N 0 0 447.535 4.380 40 0 IIABRN O=S(=O)(Nc1ccc(I)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226861700 556685627 /nfs/dbraw/zinc/68/56/27/556685627.db2.gz YJHKHQCJZKXWNY-UHFFFAOYSA-N 0 0 435.286 4.344 40 0 IIABRN COc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000000780905 556693845 /nfs/dbraw/zinc/69/38/45/556693845.db2.gz GJGRHFGOQHVOPU-JXFKEZNVSA-N 0 0 437.565 4.181 40 0 IIABRN C[C@@H](C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1ccnc1 ZINC000019078422 556695563 /nfs/dbraw/zinc/69/55/63/556695563.db2.gz SXUDVIRELYDJDL-KBPBESRZSA-N 0 0 435.475 4.388 40 0 IIABRN COc1ccc(Nc2nc(-c3ccncc3)nc3c2CN(C(=O)C(C)(C)C)CC3)cc1OC ZINC000019081522 556696127 /nfs/dbraw/zinc/69/61/27/556696127.db2.gz FSFWOTSNTJMTNP-UHFFFAOYSA-N 0 0 447.539 4.230 40 0 IIABRN COc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000000800247 556696330 /nfs/dbraw/zinc/69/63/30/556696330.db2.gz MCVBFKMJEZNBIU-QGZVFWFLSA-N 0 0 426.460 4.452 40 0 IIABRN O=C(NC1CCCCC1)[C@@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc2c(c1)OCCO2 ZINC000000800294 556696377 /nfs/dbraw/zinc/69/63/77/556696377.db2.gz MCQLUWZYZNQUJN-JBXKERDYSA-N 0 0 432.520 4.096 40 0 IIABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4cncnc4)CC3)cc2N1 ZINC000019083413 556697906 /nfs/dbraw/zinc/69/79/06/556697906.db2.gz DXCSQRFXERPYGV-DLBZAZTESA-N 0 0 436.482 4.027 40 0 IIABRN CSc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccco3)c(-c3cc(C)no3)cc2=O)cc1 ZINC000019121105 556700894 /nfs/dbraw/zinc/70/08/94/556700894.db2.gz UZQQHIWMMVSGIS-CQSZACIVSA-N 0 0 436.493 4.388 40 0 IIABRN COc1cccc(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@H]3Cc2ccccc2)c1 ZINC000257202739 556701339 /nfs/dbraw/zinc/70/13/39/556701339.db2.gz ANEKIQQNUQJRHX-NLMMERCGSA-N 0 0 446.591 4.239 40 0 IIABRN Cn1nc([C@@H]2CN(Cc3cccc4cccnc43)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257214295 556702697 /nfs/dbraw/zinc/70/26/97/556702697.db2.gz CLLZAAJQJZIGCI-VWLOTQADSA-N 0 0 446.526 4.302 40 0 IIABRN O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1 ZINC000257313931 556703442 /nfs/dbraw/zinc/70/34/42/556703442.db2.gz UURXYEGYYYNFPS-QFIPXVFZSA-N 0 0 429.564 4.162 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(Nc4ccccc4)n4ccsc34)C2)c(=O)n1C ZINC000019131602 556704336 /nfs/dbraw/zinc/70/43/36/556704336.db2.gz AGZYIZKSRSXVCJ-QGZVFWFLSA-N 0 0 447.564 4.166 40 0 IIABRN Cc1ccc(OCCCC(=O)N2CCO[C@H](c3nc(-c4ccccc4C)no3)C2)c(C)c1 ZINC000019132824 556704657 /nfs/dbraw/zinc/70/46/57/556704657.db2.gz VALZDFSQBRFZQB-QFIPXVFZSA-N 0 0 435.524 4.421 40 0 IIABRN COc1ccccc1N1CCN(C(=O)C(C)C)[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257326858 556705209 /nfs/dbraw/zinc/70/52/09/556705209.db2.gz WYXSGARXGDLRSD-DEOSSOPVSA-N 0 0 443.547 4.200 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCC[C@@H](Cn4nc(-c5cccs5)ccc4=O)C3)CC2)cc1 ZINC000019136841 556706366 /nfs/dbraw/zinc/70/63/66/556706366.db2.gz XZCOZLCYRFOKGO-LJQANCHMSA-N 0 0 433.577 4.251 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257220060 556707386 /nfs/dbraw/zinc/70/73/86/556707386.db2.gz DJJFUSWUGQGNNA-JOCHJYFZSA-N 0 0 440.547 4.119 40 0 IIABRN O=C(CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000257242354 556710367 /nfs/dbraw/zinc/71/03/67/556710367.db2.gz ICBVTRQQQDWWMW-FYYLOGMGSA-N 0 0 448.485 4.484 40 0 IIABRN COCCOc1cccc([C@H]2N[C@@H](c3ccc(C)cn3)Cc3cc(OC)c(OC)cc32)c1 ZINC000019216090 556711825 /nfs/dbraw/zinc/71/18/25/556711825.db2.gz HQHDMIAAZOLPFU-ZEQKJWHPSA-N 0 0 434.536 4.409 40 0 IIABRN Cc1cccc(C2(C(=O)N3CCC[C@]4(C[C@@H](Oc5ccccc5)CO4)C3)CCOCC2)c1 ZINC000257300931 556717519 /nfs/dbraw/zinc/71/75/19/556717519.db2.gz RWHCKXUBYJKGCN-RSXGOPAZSA-N 0 0 435.564 4.272 40 0 IIABRN COc1ccc(F)cc1-c1cccc(CC2(C(=O)NC3CCC(O)CC3)CCOCC2)c1 ZINC000257307612 556718102 /nfs/dbraw/zinc/71/81/02/556718102.db2.gz SZLWQFVJUGSOBO-UHFFFAOYSA-N 0 0 441.543 4.260 40 0 IIABRN COc1ccccc1CC(=O)N1CCNC(=O)[C@H](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000019237465 556722224 /nfs/dbraw/zinc/72/22/24/556722224.db2.gz GAGMKPZXMBBUOV-XMMPIXPASA-N 0 0 442.559 4.030 40 0 IIABRN Cc1ccn(C[C@@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)n1 ZINC000019237913 556722834 /nfs/dbraw/zinc/72/28/34/556722834.db2.gz DPIOEPWCRINNKW-GFCCVEGCSA-N 0 0 435.450 4.097 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1OC ZINC000019239834 556725977 /nfs/dbraw/zinc/72/59/77/556725977.db2.gz LKMMTCVTTVKENZ-NRFANRHFSA-N 0 0 432.524 4.079 40 0 IIABRN O=C(COc1cccc(NC(=O)c2cccnc2)c1)Nc1ccc(Br)cc1 ZINC000000873517 556728067 /nfs/dbraw/zinc/72/80/67/556728067.db2.gz BEUBFRXHWOSXHC-UHFFFAOYSA-N 0 0 426.270 4.114 40 0 IIABRN Cc1nccn1C[C@H](C)C(=O)N1CC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019287656 556728248 /nfs/dbraw/zinc/72/82/48/556728248.db2.gz CBYYWRMOCQTRDA-HOCLYGCPSA-N 0 0 448.493 4.029 40 0 IIABRN COc1ccc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)c(C)cc2c1 ZINC000000875784 556729409 /nfs/dbraw/zinc/72/94/09/556729409.db2.gz HZBWABOORBOPHT-UHFFFAOYSA-N 0 0 426.538 4.020 40 0 IIABRN COc1ccc2cc(CN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000879641 556731194 /nfs/dbraw/zinc/73/11/94/556731194.db2.gz OKSTUHKXEWJVFH-UHFFFAOYSA-N 0 0 448.523 4.470 40 0 IIABRN O=C(NC1CCCCC1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000880430 556731756 /nfs/dbraw/zinc/73/17/56/556731756.db2.gz NRMMDIMWIYUJHO-UHFFFAOYSA-N 0 0 447.535 4.344 40 0 IIABRN COc1ccc([C@@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(OC(C)=O)cc(C)c32)cc1 ZINC000000881836 556733193 /nfs/dbraw/zinc/73/31/93/556733193.db2.gz GJPUAQJHIDTDIY-CYFREDJKSA-N 0 0 440.565 4.186 40 0 IIABRN Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000891825 556739889 /nfs/dbraw/zinc/73/98/89/556739889.db2.gz RSLGAEKXCDAILG-UHFFFAOYSA-N 0 0 442.924 4.474 40 0 IIABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000000903408 556742874 /nfs/dbraw/zinc/74/28/74/556742874.db2.gz JMGJEIQGUQZNPS-UHFFFAOYSA-N 0 0 442.614 4.345 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCc2ccccc21 ZINC000000909531 556745091 /nfs/dbraw/zinc/74/50/91/556745091.db2.gz YGIWEMBCADMGBY-JOCHJYFZSA-N 0 0 428.540 4.120 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C2CCCC2)cc1 ZINC000000914735 556746090 /nfs/dbraw/zinc/74/60/90/556746090.db2.gz RXMSKGIOWCKSIF-UHFFFAOYSA-N 0 0 440.565 4.287 40 0 IIABRN CCOC(=O)[C@@H](CC)Sc1nnc(COc2ccc(Br)cc2)n1CC ZINC000000916042 556746569 /nfs/dbraw/zinc/74/65/69/556746569.db2.gz WMTUCGFDQWHBEC-CQSZACIVSA-N 0 0 428.352 4.073 40 0 IIABRN O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000019369449 556747173 /nfs/dbraw/zinc/74/71/73/556747173.db2.gz YZHRNFPLXXOABW-NRFANRHFSA-N 0 0 429.499 4.225 40 0 IIABRN Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c12 ZINC000000923816 556751601 /nfs/dbraw/zinc/75/16/01/556751601.db2.gz WUDDRTHSUSYKGL-UHFFFAOYSA-N 0 0 442.537 4.428 40 0 IIABRN CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC3CCCCC3)cc2c1 ZINC000000924174 556751853 /nfs/dbraw/zinc/75/18/53/556751853.db2.gz SWULRLBTQVDJFL-NRFANRHFSA-N 0 0 427.614 4.279 40 0 IIABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccccc3)cc2c1 ZINC000000924157 556751872 /nfs/dbraw/zinc/75/18/72/556751872.db2.gz KYPNYHSREQNKRH-JOCHJYFZSA-N 0 0 435.593 4.146 40 0 IIABRN CC[C@H]1CCCCN1C(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 ZINC000000929629 556755544 /nfs/dbraw/zinc/75/55/44/556755544.db2.gz CKEFIRGCHCWWJY-KBPBESRZSA-N 0 0 429.615 4.347 40 0 IIABRN CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)C1 ZINC000019447306 556756460 /nfs/dbraw/zinc/75/64/60/556756460.db2.gz YSQFMJDWOUAIPT-RUZDIDTESA-N 0 0 448.592 4.052 40 0 IIABRN COc1ccc(-c2nnn([C@H](C)C(=O)N3c4ccccc4CCc4ccccc43)n2)cc1 ZINC000000932077 556757731 /nfs/dbraw/zinc/75/77/31/556757731.db2.gz KPTXUQCWDRFWLL-QGZVFWFLSA-N 0 0 425.492 4.373 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2ccccc2)C1 ZINC000019449392 556760024 /nfs/dbraw/zinc/76/00/24/556760024.db2.gz XFXVSJOARFUUKP-HHHXNRCGSA-N 0 0 427.548 4.348 40 0 IIABRN COc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(C)cc3C)C2=O)c1 ZINC000002238866 556760155 /nfs/dbraw/zinc/76/01/55/556760155.db2.gz VFKCYELEJVTKDB-SMIHKQSGSA-N 0 0 428.488 4.363 40 0 IIABRN CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)C)n[nH]2)nc(C2CC2)n1 ZINC000019451939 556762679 /nfs/dbraw/zinc/76/26/79/556762679.db2.gz MFCYHAVMSVRAJZ-FQEVSTJZSA-N 0 0 443.555 4.437 40 0 IIABRN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC000019452018 556762926 /nfs/dbraw/zinc/76/29/26/556762926.db2.gz HVJBLVBJETXEJS-AWEZNQCLSA-N 0 0 435.450 4.358 40 0 IIABRN CC(C)c1nc(C[C@H](NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)c2ccccc2)cc(=O)[nH]1 ZINC000019453552 556764232 /nfs/dbraw/zinc/76/42/32/556764232.db2.gz BYVCVEXXZVBYTK-IBGZPJMESA-N 0 0 449.942 4.066 40 0 IIABRN COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CCN(C(=O)[C@H](C)c3ccccc3)C2)cc1 ZINC000019458967 556766144 /nfs/dbraw/zinc/76/61/44/556766144.db2.gz KBQNDICRVQEKHY-PIIWDFAUSA-N 0 0 442.559 4.412 40 0 IIABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)C1 ZINC000019497886 556770255 /nfs/dbraw/zinc/77/02/55/556770255.db2.gz HDPVJIVGFMZPPM-QYVVGCJJSA-N 0 0 448.563 4.205 40 0 IIABRN CCCN1CCN(C(=O)c2snnc2C)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000019502687 556773583 /nfs/dbraw/zinc/77/35/83/556773583.db2.gz RTBDWPUCLJXVTL-JOCHJYFZSA-N 0 0 448.592 4.067 40 0 IIABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc(N2CCOCC2)cc1 ZINC000001329468 556773930 /nfs/dbraw/zinc/77/39/30/556773930.db2.gz GGPGJPILLMIRNP-UHFFFAOYSA-N 0 0 445.548 4.192 40 0 IIABRN O=C(Nc1ccc(F)cc1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 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4.430 40 0 IIABRN CCc1ccc2c(c1)cc(CN(C(=S)Nc1cccc(OC)c1)C1CC1)c1nnnn12 ZINC000001361010 556787675 /nfs/dbraw/zinc/78/76/75/556787675.db2.gz ACVBDTCMVZNVHA-UHFFFAOYSA-N 0 0 432.553 4.210 40 0 IIABRN COc1cccc(-n2c(SCC(=O)N3CCc4ccccc43)nnc2-c2cccnc2)c1 ZINC000001362352 556788340 /nfs/dbraw/zinc/78/83/40/556788340.db2.gz ZVNMKGPYSFXPAY-UHFFFAOYSA-N 0 0 443.532 4.019 40 0 IIABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccc2)C1 ZINC000019528627 556788494 /nfs/dbraw/zinc/78/84/94/556788494.db2.gz RROPEBMBCCZICL-MHZLTWQESA-N 0 0 427.548 4.350 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)cc1Cl ZINC000001363723 556789466 /nfs/dbraw/zinc/78/94/66/556789466.db2.gz AMMWQSLNWQWHQY-AWEZNQCLSA-N 0 0 427.353 4.341 40 0 IIABRN CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2cccc(C)c2)C1 ZINC000019528905 556789557 /nfs/dbraw/zinc/78/95/57/556789557.db2.gz IGFGKKVRPMHONJ-NDEPHWFRSA-N 0 0 441.575 4.197 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2c(C)noc2C)C1 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O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 ZINC000001378423 556795453 /nfs/dbraw/zinc/79/54/53/556795453.db2.gz OPQAGOLVFMVOHT-IBGZPJMESA-N 0 0 441.944 4.033 40 0 IIABRN COc1ccc(OC)c(C(=O)N2CCC(c3nnc(-c4nccc5ccccc54)o3)CC2)c1 ZINC000019551026 556795471 /nfs/dbraw/zinc/79/54/71/556795471.db2.gz RTAKCSYGONIQBQ-UHFFFAOYSA-N 0 0 444.491 4.322 40 0 IIABRN O=C(O[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1)c1cccs1 ZINC000001381235 556796947 /nfs/dbraw/zinc/79/69/47/556796947.db2.gz BOPIPIVSJRJDCU-LJQANCHMSA-N 0 0 429.881 4.345 40 0 IIABRN COc1ccc(-c2noc([C@H]3CN(C(=O)c4ccc5c(c4)c(C)c(C)n5C)CCO3)n2)cc1 ZINC000019554604 556797957 /nfs/dbraw/zinc/79/79/57/556797957.db2.gz RLYRBLUISLBIMO-JOCHJYFZSA-N 0 0 446.507 4.067 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)s1 ZINC000019560000 556801504 /nfs/dbraw/zinc/80/15/04/556801504.db2.gz CBDUWYWHALWAEH-UHFFFAOYSA-N 0 0 434.569 4.206 40 0 IIABRN CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2scnc2C)nc(C2CC2)n1 ZINC000019562221 556803865 /nfs/dbraw/zinc/80/38/65/556803865.db2.gz RQDMNGGVFIUMEE-GOSISDBHSA-N 0 0 432.553 4.356 40 0 IIABRN Cc1nnsc1C(=O)N1CCC[C@@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)C)N3)C1 ZINC000019563466 556804407 /nfs/dbraw/zinc/80/44/07/556804407.db2.gz ZIRRDKRCXDCRQX-NFAWXSAZSA-N 0 0 442.511 4.006 40 0 IIABRN COc1ccc(OCC(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 ZINC000019563911 556804529 /nfs/dbraw/zinc/80/45/29/556804529.db2.gz GNZKZRYTENFQNB-CQSZACIVSA-N 0 0 431.439 4.262 40 0 IIABRN Cc1noc2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)nn4C)C3)cc(C(F)(F)F)c12 ZINC000019564071 556804791 /nfs/dbraw/zinc/80/47/91/556804791.db2.gz BEHFRYJBGJXOIR-CYBMUJFWSA-N 0 0 435.450 4.427 40 0 IIABRN Cc1noc2nc([C@@H]3CCCN(C(=O)c4ccc(C(C)C)[nH]c4=O)C3)cc(C(F)(F)F)c12 ZINC000019564120 556804853 /nfs/dbraw/zinc/80/48/53/556804853.db2.gz RVETZUFVRVQYBF-CYBMUJFWSA-N 0 0 448.445 4.382 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)c1 ZINC000019564189 556805002 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434.315 4.450 40 0 IIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O ZINC000409010048 556917766 /nfs/dbraw/zinc/91/77/66/556917766.db2.gz DDACMDWIMXYKOR-BXUJETTOSA-N 0 0 429.469 4.393 40 0 IIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O ZINC000409010778 556917890 /nfs/dbraw/zinc/91/78/90/556917890.db2.gz LGBGURHLJQZWES-ONDHQXCVSA-N 0 0 429.469 4.393 40 0 IIABRN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000019817706 556920605 /nfs/dbraw/zinc/92/06/05/556920605.db2.gz YKPFANAKGPPYSL-QFIPXVFZSA-N 0 0 426.476 4.162 40 0 IIABRN COC1CCC(C(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccccc3C)c2)CC1 ZINC000072351925 556922732 /nfs/dbraw/zinc/92/27/32/556922732.db2.gz MURHXLBDDIOYFJ-LQOCYXTFSA-N 0 0 434.580 4.079 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccs1 ZINC000019820507 556923836 /nfs/dbraw/zinc/92/38/36/556923836.db2.gz QIRHYAODIQKHQR-YADHBBJMSA-N 0 0 445.544 4.456 40 0 IIABRN COc1ccc2c(c1)c(C)c(C(=O)N1CCC[C@H]1c1ccc(Nc3cnccn3)cn1)n2C ZINC000072353123 556925526 /nfs/dbraw/zinc/92/55/26/556925526.db2.gz XEYWEMTZDWFMIQ-QFIPXVFZSA-N 0 0 442.523 4.401 40 0 IIABRN C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000409026897 556926446 /nfs/dbraw/zinc/92/64/46/556926446.db2.gz FCVTWCQKWXEDGR-QGZVFWFLSA-N 0 0 428.941 4.413 40 0 IIABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cnc(N(C)C)nc4C)C3)c2)c1 ZINC000072354185 556929330 /nfs/dbraw/zinc/92/93/30/556929330.db2.gz RXEQVEFJPFGQKV-QHCPKHFHSA-N 0 0 443.595 4.473 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000072354226 556929585 /nfs/dbraw/zinc/92/95/85/556929585.db2.gz MHKBQVFOIXYOCH-JOCHJYFZSA-N 0 0 439.581 4.462 40 0 IIABRN COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(C(=O)CCc3nc(C)no3)C2)c1 ZINC000072354262 556929861 /nfs/dbraw/zinc/92/98/61/556929861.db2.gz DCBBIBFQSQLJLI-OAQYLSRUSA-N 0 0 434.540 4.020 40 0 IIABRN Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)c3cc(C)nc(N(C)C)n3)C2)n1 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O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000409059589 556936818 /nfs/dbraw/zinc/93/68/18/556936818.db2.gz QWPDSJMAEVJJJL-UHFFFAOYSA-N 0 0 432.904 4.309 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCCC2)nc2c1CCC(=O)N2C ZINC000072371099 556937298 /nfs/dbraw/zinc/93/72/98/556937298.db2.gz PKNGXGFTBQHCRI-FQEVSTJZSA-N 0 0 436.531 4.009 40 0 IIABRN O=C(c1ccccn1)N1CC[C@H](c2cc(CCOc3ccccc3C(F)(F)F)n[nH]2)C1 ZINC000072371286 556937877 /nfs/dbraw/zinc/93/78/77/556937877.db2.gz FABMQNIOLDSYHB-HNNXBMFYSA-N 0 0 430.430 4.075 40 0 IIABRN O=C(COc1ccccc1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371276 556938078 /nfs/dbraw/zinc/93/80/78/556938078.db2.gz CLVVCLYXMSVSDO-QGZVFWFLSA-N 0 0 425.916 4.080 40 0 IIABRN Cn1cnc2cc(C(=O)N3CC[C@@H](c4cc(CCOc5cccc(Cl)c5)n[nH]4)C3)ccc21 ZINC000072371780 556940823 /nfs/dbraw/zinc/94/08/23/556940823.db2.gz NKZMQPGBLCYWNP-QGZVFWFLSA-N 0 0 449.942 4.201 40 0 IIABRN CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(I)c1OC ZINC000409066054 556941642 /nfs/dbraw/zinc/94/16/42/556941642.db2.gz GUEWLTYFXPTRSE-JYRVWZFOSA-N 0 0 447.294 4.143 40 0 IIABRN CC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000019927765 556945323 /nfs/dbraw/zinc/94/53/23/556945323.db2.gz WXGCCKWABDWGTE-UHFFFAOYSA-N 0 0 431.315 4.168 40 0 IIABRN COc1ccccc1CCCNc1cc([C@H](C)n2ncc3ccccc3c2=O)nc(C)n1 ZINC000072373270 556946056 /nfs/dbraw/zinc/94/60/56/556946056.db2.gz VKJQYKLHIDBGIN-KRWDZBQOSA-N 0 0 429.524 4.158 40 0 IIABRN Cc1cccc(OCCCNc2cc([C@@H](C)n3ncc4ccccc4c3=O)nc(C)n2)c1 ZINC000072373320 556946387 /nfs/dbraw/zinc/94/63/87/556946387.db2.gz OQEGHDACBNWMQO-GOSISDBHSA-N 0 0 429.524 4.294 40 0 IIABRN Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)CCc4ccccc4)CC3)nc2)n1 ZINC000072374352 556947922 /nfs/dbraw/zinc/94/79/22/556947922.db2.gz ZXHVJSXLXJFEHP-UHFFFAOYSA-N 0 0 436.581 4.281 40 0 IIABRN Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCN(C(=O)CCN3CCCc4ccccc43)C2)n1 ZINC000072374678 556948460 /nfs/dbraw/zinc/94/84/60/556948460.db2.gz ARQCZXCXMSKTTN-QFIPXVFZSA-N 0 0 441.579 4.193 40 0 IIABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC000072374805 556948978 /nfs/dbraw/zinc/94/89/78/556948978.db2.gz JLZVVNQAGSQHFP-LJQANCHMSA-N 0 0 428.458 4.212 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1)c1ccccc1 ZINC000019932264 556949094 /nfs/dbraw/zinc/94/90/94/556949094.db2.gz UOQNUEQYCZGVAB-XMMPIXPASA-N 0 0 434.561 4.460 40 0 IIABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1 ZINC000019933674 556949949 /nfs/dbraw/zinc/94/99/49/556949949.db2.gz ZEKRCMOMXUFFPY-RDPSFJRHSA-N 0 0 436.577 4.364 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000019934264 556950144 /nfs/dbraw/zinc/95/01/44/556950144.db2.gz ZUJKURXOUVKDOB-QFIPXVFZSA-N 0 0 426.513 4.289 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000019934704 556950481 /nfs/dbraw/zinc/95/04/81/556950481.db2.gz SALZXXCBFRLMOE-QHCPKHFHSA-N 0 0 444.597 4.305 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 ZINC000019935295 556950713 /nfs/dbraw/zinc/95/07/13/556950713.db2.gz REPCAUJBGLEKKD-UHFFFAOYSA-N 0 0 443.352 4.104 40 0 IIABRN COc1cccc(CN(C)CC(=O)N2CCC[C@H]2c2cccc(Nc3ccc(F)cn3)n2)c1 ZINC000072375860 556953339 /nfs/dbraw/zinc/95/33/39/556953339.db2.gz VUJRLPGSIFFAQO-QFIPXVFZSA-N 0 0 449.530 4.163 40 0 IIABRN Cc1cnc(Nc2cc(C[C@H]3CCCN(S(=O)(=O)C4CCCCC4)C3)nc(C)n2)s1 ZINC000072382309 556958497 /nfs/dbraw/zinc/95/84/97/556958497.db2.gz YMRWGFVFUMNZTQ-QGZVFWFLSA-N 0 0 449.646 4.211 40 0 IIABRN COc1ccc(C(=O)N2CCC[C@H](Cc3cc(Nc4ncc(C)s4)nc(C)n3)C2)cc1 ZINC000072382939 556958744 /nfs/dbraw/zinc/95/87/44/556958744.db2.gz PCQWFWWAHCJGCJ-QGZVFWFLSA-N 0 0 437.569 4.397 40 0 IIABRN O=C(Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007821 556958919 /nfs/dbraw/zinc/95/89/19/556958919.db2.gz RXWRTFGCCDSJGX-HXUWFJFHSA-N 0 0 432.904 4.007 40 0 IIABRN CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O ZINC000409108684 556959821 /nfs/dbraw/zinc/95/98/21/556959821.db2.gz 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CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)c1 ZINC000017096718 557477465 /nfs/dbraw/zinc/47/74/65/557477465.db2.gz PRBLDWSAKIMWSV-UHFFFAOYSA-N 0 0 429.948 4.440 40 0 IIABRN CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000017096712 557477483 /nfs/dbraw/zinc/47/74/83/557477483.db2.gz HGXJACUWFSWXPQ-UHFFFAOYSA-N 0 0 429.948 4.149 40 0 IIABRN CC(C)OCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223487749 557478375 /nfs/dbraw/zinc/47/83/75/557478375.db2.gz DKYPROSZAOZJMP-HSZRJFAPSA-N 0 0 428.548 4.483 40 0 IIABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000223488393 557478422 /nfs/dbraw/zinc/47/84/22/557478422.db2.gz QKSILAYHCUAPSH-IBGZPJMESA-N 0 0 432.586 4.223 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccncc1 ZINC000223510461 557480654 /nfs/dbraw/zinc/48/06/54/557480654.db2.gz YJUSLQWMHAKBCA-FCHUYYIVSA-N 0 0 446.967 4.488 40 0 IIABRN COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2ccccc2OC)c2ccccc2)cc1 ZINC000223543616 557483726 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RGZHKDYHIUPIPG-HSZRJFAPSA-N 0 0 440.584 4.413 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 ZINC000223671668 557499930 /nfs/dbraw/zinc/49/99/30/557499930.db2.gz VPOVGEFZNAJBBO-JOCHJYFZSA-N 0 0 426.557 4.105 40 0 IIABRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc2c(c1)OCO2 ZINC000019647471 557505571 /nfs/dbraw/zinc/50/55/71/557505571.db2.gz RAUSKWQWDDWEOG-RUZDIDTESA-N 0 0 448.544 4.453 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(C)cc2)cc1 ZINC000223730500 557506946 /nfs/dbraw/zinc/50/69/46/557506946.db2.gz SOIYRWOPMGCXMQ-UHFFFAOYSA-N 0 0 444.597 4.286 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C ZINC000223730364 557507011 /nfs/dbraw/zinc/50/70/11/557507011.db2.gz IJUVULWYHDXQCD-XZOQPEGZSA-N 0 0 434.565 4.106 40 0 IIABRN COc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223742928 557508065 /nfs/dbraw/zinc/50/80/65/557508065.db2.gz ISYJLYINENFGLY-FQEVSTJZSA-N 0 0 438.568 4.330 40 0 IIABRN COc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223742984 557508072 /nfs/dbraw/zinc/50/80/72/557508072.db2.gz ISYJLYINENFGLY-HXUWFJFHSA-N 0 0 438.568 4.330 40 0 IIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 ZINC000223747676 557508615 /nfs/dbraw/zinc/50/86/15/557508615.db2.gz YCWUMYGDYRKGGE-XZOQPEGZSA-N 0 0 427.533 4.453 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223755977 557509705 /nfs/dbraw/zinc/50/97/05/557509705.db2.gz AQPKXWWGHZJCCP-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000223765629 557510413 /nfs/dbraw/zinc/51/04/13/557510413.db2.gz AWDTVLDHHNQIEZ-CYBMUJFWSA-N 0 0 429.369 4.199 40 0 IIABRN CC(C)c1ccccc1OCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000223772728 557511230 /nfs/dbraw/zinc/51/12/30/557511230.db2.gz HEQPAQQBLODHBW-UHFFFAOYSA-N 0 0 438.549 4.420 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)COc2ccccc2)cc1 ZINC000223770923 557511245 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40 0 IIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000223883903 557525031 /nfs/dbraw/zinc/52/50/31/557525031.db2.gz SPXKLQMHPJEINK-HXUWFJFHSA-N 0 0 446.613 4.364 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223892333 557525929 /nfs/dbraw/zinc/52/59/29/557525929.db2.gz IGFDNPMPPCTGMC-SFHVURJKSA-N 0 0 426.532 4.243 40 0 IIABRN Cc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223916300 557528555 /nfs/dbraw/zinc/52/85/55/557528555.db2.gz VPOFVLCNDNBWLQ-UHFFFAOYSA-N 0 0 432.973 4.460 40 0 IIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)s1 ZINC000223920116 557528975 /nfs/dbraw/zinc/52/89/75/557528975.db2.gz HNUUZGHRHFQZOC-VXKWHMMOSA-N 0 0 436.606 4.465 40 0 IIABRN Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1C ZINC000223921518 557529252 /nfs/dbraw/zinc/52/92/52/557529252.db2.gz GMPXSLJWSZPNDE-UHFFFAOYSA-N 0 0 438.549 4.221 40 0 IIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1 ZINC000223929623 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/nfs/dbraw/zinc/29/58/48/569295848.db2.gz APDVGRBZNXOVEU-LZJOCLMNSA-N 0 0 438.421 4.227 40 0 IIABRN CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@H]2C1=O ZINC000009422700 569296076 /nfs/dbraw/zinc/29/60/76/569296076.db2.gz VTIPBHAMWXBXQO-ODIIQCJHSA-N 0 0 434.923 4.207 40 0 IIABRN Cc1cccc(-n2c3nnc(SC[C@H](O)c4ccccc4)n3c3ccccc3c2=O)c1C ZINC000011763253 569302978 /nfs/dbraw/zinc/30/29/78/569302978.db2.gz DMSSTFALIGQUGB-QFIPXVFZSA-N 0 0 442.544 4.476 40 0 IIABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccc(SC)cc1 ZINC000261362303 569315583 /nfs/dbraw/zinc/31/55/83/569315583.db2.gz CSPYJORFVJWAQI-OAQYLSRUSA-O 0 0 439.586 4.274 40 0 IIABRN Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)c3ccc4c(c3)OCCO4)CC[C@]21C ZINC000019713765 569327822 /nfs/dbraw/zinc/32/78/22/569327822.db2.gz NWBLUWXROMOIDD-SHQCIBLASA-N 0 0 448.563 4.342 40 0 IIABRN Cc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)c1 ZINC000019764323 569328890 /nfs/dbraw/zinc/32/88/90/569328890.db2.gz SMLNTQRGSYYBJM-DEOSSOPVSA-N 0 0 442.563 4.320 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)COc2ccccc2)ncc1C(=O)Nc1ccccc1F ZINC000019764702 569329006 /nfs/dbraw/zinc/32/90/06/569329006.db2.gz VFKPKOGEGOERTG-QFIPXVFZSA-N 0 0 448.498 4.309 40 0 IIABRN NS(=O)(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)cc1 ZINC000095116718 569358506 /nfs/dbraw/zinc/35/85/06/569358506.db2.gz KHTFGZWNNFEVAP-UHFFFAOYSA-N 0 0 445.953 4.304 40 0 IIABRN COC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003055198 569439354 /nfs/dbraw/zinc/43/93/54/569439354.db2.gz PSZWWCGRTPIMOU-MRVPVSSYSA-N 0 0 425.552 4.332 40 0 IIABRN O=C(COc1nnc(-c2cccs2)o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000070503710 569545074 /nfs/dbraw/zinc/54/50/74/569545074.db2.gz GGBMPWVZFWEOTP-UHFFFAOYSA-N 0 0 426.523 4.193 40 0 IIABRN Cc1c(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000329026564 569583148 /nfs/dbraw/zinc/58/31/48/569583148.db2.gz PMYFPVITJPTERP-LJQANCHMSA-N 0 0 431.462 5.038 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccncc2)n1 ZINC000329068751 569583316 /nfs/dbraw/zinc/58/33/16/569583316.db2.gz YSNTVFJKDXJBGS-GOSISDBHSA-N 0 0 446.324 4.613 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccnc2)n1 ZINC000329026490 569583328 /nfs/dbraw/zinc/58/33/28/569583328.db2.gz PLWOLQLAXDHMEO-GOSISDBHSA-N 0 0 446.324 4.613 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329005191 569583336 /nfs/dbraw/zinc/58/33/36/569583336.db2.gz KWRAJRCFBGANMO-SFHVURJKSA-N 0 0 433.434 4.610 40 0 IIABRN CCNc1nc(Nc2ccc(C(=O)OC)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329021305 569583954 /nfs/dbraw/zinc/58/39/54/569583954.db2.gz OFTAPAPKEOWQTL-UHFFFAOYSA-N 0 0 432.402 5.004 40 0 IIABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)c(Br)c1 ZINC000328985290 569584271 /nfs/dbraw/zinc/58/42/71/569584271.db2.gz HSFNRGVHTKMSFY-LJQANCHMSA-N 0 0 442.361 4.782 40 0 IIABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)c1 ZINC000032127613 569584283 /nfs/dbraw/zinc/58/42/83/569584283.db2.gz OTOHKNRQPWYSRO-UHFFFAOYSA-N 0 0 437.930 4.102 40 0 IIABRN CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000004260702 291379540 /nfs/dbraw/zinc/37/95/40/291379540.db2.gz AIRPFYBSUQEOQJ-MOPGFXCFSA-N 0 0 445.441 4.168 40 0 biogenic,in-vitro IIABRN CCCS(=O)(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2ccccc2)C[C@H]1C(C)C ZINC000030880065 291381222 /nfs/dbraw/zinc/38/12/22/291381222.db2.gz VELFJVWFMLNHIG-VABKMULXSA-N 0 0 434.646 4.219 40 0 biogenic,in-vitro IIABRN C[C@@]12CO[C@@H](Cc3ccccc3)O[C@@H]1CC[C@@]1(C)[C@H](CC(=O)N3CCCC3)[C@H](O)CC[C@H]21 ZINC000004236900 291384432 /nfs/dbraw/zinc/38/44/32/291384432.db2.gz LFPVPKDFQMABRO-SEWQFTPFSA-N 0 0 441.612 4.177 40 0 biogenic,in-vitro IIABRN C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000225438483 291384682 /nfs/dbraw/zinc/38/46/82/291384682.db2.gz ITYJNQXCYKVMIQ-HNNXBMFYSA-N 0 0 445.441 4.376 40 0 biogenic,in-vitro IIABRN Cc1ccccc1NC(=O)N1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 ZINC000096263701 193947354 /nfs/dbraw/zinc/94/73/54/193947354.db2.gz NNWPGXAGXGNUJM-WIYYLYMNSA-N 0 0 447.988 4.107 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223234386 193955585 /nfs/dbraw/zinc/95/55/85/193955585.db2.gz TXCIZPLZZMBXSL-KRWDZBQOSA-N 0 0 444.959 4.335 40 0 IIABRN CSc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1NC(C)=O ZINC000223307894 193964969 /nfs/dbraw/zinc/96/49/69/193964969.db2.gz ACSPBMICLOMXHA-UHFFFAOYSA-N 0 0 436.599 4.065 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1C ZINC000408607738 193976071 /nfs/dbraw/zinc/97/60/71/193976071.db2.gz OAHJXBDDUCOOBC-LBPRGKRZSA-N 0 0 431.341 4.006 40 0 IIABRN COc1cc(CCN2CCN(c3c(Cl)cccc3Cl)CC2)cc(OC)c1OC ZINC000002572958 132255132 /nfs/dbraw/zinc/25/51/32/132255132.db2.gz ALAAGUPVFUHCMF-UHFFFAOYSA-N 0 0 425.356 4.384 40 0 IIABRN Cc1ccc(C)c(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 ZINC000010009292 132333851 /nfs/dbraw/zinc/33/38/51/132333851.db2.gz FGQQZAMVNSLAHQ-QHCPKHFHSA-N 0 0 436.533 4.040 40 0 IIABRN Cc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c(C)c1 ZINC000010009291 132333858 /nfs/dbraw/zinc/33/38/58/132333858.db2.gz JSYYKMZZVBGFQK-HSZRJFAPSA-N 0 0 436.533 4.040 40 0 IIABRN COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2cccc(C)c2C)CC1 ZINC000013503905 132347398 /nfs/dbraw/zinc/34/73/98/132347398.db2.gz UABTYPWWIRUKPB-VWLOTQADSA-N 0 0 446.599 4.325 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000013504132 132347751 /nfs/dbraw/zinc/34/77/51/132347751.db2.gz CTCKRPGWUWZAJX-XMMPIXPASA-N 0 0 448.615 4.355 40 0 IIABRN COc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000013504328 132348030 /nfs/dbraw/zinc/34/80/30/132348030.db2.gz AEKVRTBSTOUZGI-JOCHJYFZSA-N 0 0 440.979 4.136 40 0 IIABRN Cc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013505256 132348916 /nfs/dbraw/zinc/34/89/16/132348916.db2.gz XRZBRCAYIRWNGG-HSZRJFAPSA-N 0 0 448.571 4.142 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1cccs1)N(Cc1ccccc1F)C(=O)c1csnn1 ZINC000012871827 518748754 /nfs/dbraw/zinc/74/87/54/518748754.db2.gz LMDBBXORSCTZOO-KRWDZBQOSA-N 0 0 432.546 4.037 40 0 IIABRN CC(C)(C)c1cc2nc([C@H]3CCCN(C(=O)c4ccncc4)C3)cc(C(F)(F)F)n2n1 ZINC000012186836 519007587 /nfs/dbraw/zinc/00/75/87/519007587.db2.gz RQAVMRXXDXUSIY-HNNXBMFYSA-N 0 0 431.462 4.460 40 0 IIABRN CC(C)(C)c1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022374108 519034429 /nfs/dbraw/zinc/03/44/29/519034429.db2.gz MBGZSBCMANQTSX-UHFFFAOYSA-N 0 0 437.005 4.153 40 0 IIABRN CC(C)c1cc(C(=O)N2CC[C@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)n(C)n1 ZINC000012220344 519831811 /nfs/dbraw/zinc/83/18/11/519831811.db2.gz GNFNAFKNQDKLGL-AWEZNQCLSA-N 0 0 448.493 4.358 40 0 IIABRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC ZINC000016681849 520049438 /nfs/dbraw/zinc/04/94/38/520049438.db2.gz PKRLKLITVQPDKY-UHFFFAOYSA-N 0 0 426.494 4.038 40 0 IIABRN CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022394978 520383743 /nfs/dbraw/zinc/38/37/43/520383743.db2.gz LUOALFGSLSPPPJ-GOSISDBHSA-N 0 0 446.613 4.416 40 0 IIABRN CCCOc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000022401569 520383887 /nfs/dbraw/zinc/38/38/87/520383887.db2.gz VVDHJPHUFZCBAE-UHFFFAOYSA-N 0 0 446.569 4.202 40 0 IIABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(OCC)cc2)[C@H](C(=O)OCC)C1=O ZINC000020638352 520601420 /nfs/dbraw/zinc/60/14/20/520601420.db2.gz YXAFOWHPERGAAM-FCHUYYIVSA-N 0 0 435.524 4.350 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000022248641 520786153 /nfs/dbraw/zinc/78/61/53/520786153.db2.gz SFQDPHRYSBIRGT-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000020459964 521256350 /nfs/dbraw/zinc/25/63/50/521256350.db2.gz MNYDJHOGUDBDQV-INIZCTEOSA-N 0 0 444.578 4.463 40 0 IIABRN CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000012863432 521259893 /nfs/dbraw/zinc/25/98/93/521259893.db2.gz CYAGVRAVQLXTFP-GCOVDLRRSA-N 0 0 441.568 4.365 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)c3ccco3)cc2c1 ZINC000012645200 521283945 /nfs/dbraw/zinc/28/39/45/521283945.db2.gz ZTKQGWFJQYRNHO-UHFFFAOYSA-N 0 0 432.476 4.371 40 0 IIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc3sc(C(=O)OC)cc3c1)cn2C ZINC000022237449 521295242 /nfs/dbraw/zinc/29/52/42/521295242.db2.gz RUHCMRBXQGBTAB-UHFFFAOYSA-N 0 0 436.489 4.191 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)c1csnn1)c1ccccc1 ZINC000012868148 521345888 /nfs/dbraw/zinc/34/58/88/521345888.db2.gz MVZRVVOZOUARBA-FQEVSTJZSA-N 0 0 438.553 4.240 40 0 IIABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1cc(-c2cccc(O)c2)on1 ZINC000020572830 521383734 /nfs/dbraw/zinc/38/37/34/521383734.db2.gz RCWVIFOIYJDLSZ-UHFFFAOYSA-N 0 0 428.466 4.439 40 0 IIABRN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 ZINC000012186643 521434181 /nfs/dbraw/zinc/43/41/81/521434181.db2.gz SUPCDFOTIVWKQT-HNNXBMFYSA-N 0 0 446.931 4.094 40 0 IIABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013674640 521512412 /nfs/dbraw/zinc/51/24/12/521512412.db2.gz CWDMTMYXYWJNJX-QGZVFWFLSA-N 0 0 432.586 4.026 40 0 IIABRN CCCn1c2nnc(SCc3cccc(C)c3)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033256584 521642023 /nfs/dbraw/zinc/64/20/23/521642023.db2.gz BMESSUVWIVZTSB-UHFFFAOYSA-N 0 0 449.580 4.193 40 0 IIABRN CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc2s1 ZINC000020448096 521747147 /nfs/dbraw/zinc/74/71/47/521747147.db2.gz BZSXOUKTKDYBHL-UHFFFAOYSA-N 0 0 438.958 4.138 40 0 IIABRN COc1cc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccs2)nc(OC)n1 ZINC000012327958 521898694 /nfs/dbraw/zinc/89/86/94/521898694.db2.gz AHCURKSEWCVIQP-UHFFFAOYSA-N 0 0 449.492 4.020 40 0 IIABRN COc1cc(/C=C/C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc(OC)c1OC ZINC000012600503 521934389 /nfs/dbraw/zinc/93/43/89/521934389.db2.gz XJXPVZMLVPTLJB-PBRMNZKCSA-N 0 0 434.529 4.273 40 0 IIABRN COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(OC)cc1 ZINC000012498632 522073326 /nfs/dbraw/zinc/07/33/26/522073326.db2.gz OVRVJIKYRNLQAL-UHFFFAOYSA-N 0 0 440.569 4.256 40 0 IIABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3cccc(OC(F)(F)F)c3)n2)cn1 ZINC000035426303 522129379 /nfs/dbraw/zinc/12/93/79/522129379.db2.gz GKRMLPGAJUBRKU-KRWDZBQOSA-N 0 0 433.434 4.433 40 0 biogenic,in-vitro IIABRN CC[C@H](NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020487755 522509276 /nfs/dbraw/zinc/50/92/76/522509276.db2.gz LWJHXIPATJFDQJ-VXKWHMMOSA-N 0 0 432.586 4.124 40 0 IIABRN COc1cc(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1O ZINC000012462239 522531237 /nfs/dbraw/zinc/53/12/37/522531237.db2.gz DBBCGRXVUDEVOK-CAOOACKPSA-N 0 0 446.912 4.346 40 0 IIABRN COc1cc2c(cc1OC)[C@@H](c1cc3ccc(C)c(C)c3[nH]c1=O)N(C(=O)C(C)C)CC2 ZINC000035313495 523040699 /nfs/dbraw/zinc/04/06/99/523040699.db2.gz XBULFVHNJVDPRZ-DEOSSOPVSA-N 0 0 434.536 4.292 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3cc(C)cc(C)c3[nH]c1=O)N(C(=O)C1CCC1)CC2 ZINC000035315235 523048544 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4.030 40 0 IIABRN COc1cccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000041086345 525836298 /nfs/dbraw/zinc/83/62/98/525836298.db2.gz BTFVAGMPOKUPKZ-UHFFFAOYSA-N 0 0 435.867 4.188 40 0 IIABRN C[C@H](Oc1ccc(F)cc1F)C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000012219782 525939018 /nfs/dbraw/zinc/93/90/18/525939018.db2.gz UEGFFCFFBNQSLW-VBKZILBWSA-N 0 0 438.478 4.414 40 0 IIABRN Cc1cnc(-c2nc(C3CCN(C(=O)Cc4ccc(Cl)c(Cl)c4)CC3)no2)cn1 ZINC000012187464 525963075 /nfs/dbraw/zinc/96/30/75/525963075.db2.gz NEMZYJKTNCYDGO-UHFFFAOYSA-N 0 0 432.311 4.091 40 0 IIABRN Cc1cnc(C(=O)N2CCC(c3cc4nc(C(C)(C)C)cc(C(F)(F)F)n4n3)CC2)cn1 ZINC000012160334 525968424 /nfs/dbraw/zinc/96/84/24/525968424.db2.gz KRSXHUONYVPUQP-UHFFFAOYSA-N 0 0 446.477 4.164 40 0 IIABRN C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467335 526028521 /nfs/dbraw/zinc/02/85/21/526028521.db2.gz SRFOQZUHHOLZKN-ZRZAQEAESA-N 0 0 445.579 4.054 40 0 biogenic,in-vitro IIABRN 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ZINC000012129165 526619312 /nfs/dbraw/zinc/61/93/12/526619312.db2.gz KAQCXRWKEWXADY-GFCCVEGCSA-N 0 0 429.492 4.161 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869788 526734721 /nfs/dbraw/zinc/73/47/21/526734721.db2.gz SGTWEIGYFQDGHA-JOCHJYFZSA-N 0 0 446.507 4.382 40 0 IIABRN O=C(NCc1ccccc1)[C@H](c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000035314999 526735890 /nfs/dbraw/zinc/73/58/90/526735890.db2.gz UKFWYKOYSAGMHC-QFIPXVFZSA-N 0 0 431.517 4.436 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(Cc1cccs1)C(=O)c1ccccn1 ZINC000035289021 526736258 /nfs/dbraw/zinc/73/62/58/526736258.db2.gz SPLLWAABYAUAPH-HSZRJFAPSA-N 0 0 442.544 4.238 40 0 IIABRN O=C(NCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000033601992 526748528 /nfs/dbraw/zinc/74/85/28/526748528.db2.gz FUXJIMFHJKAQNB-UHFFFAOYSA-N 0 0 441.380 4.488 40 0 IIABRN O=C(CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)Nc1ccccc1C(F)(F)F ZINC000012643899 526823596 /nfs/dbraw/zinc/82/35/96/526823596.db2.gz DLDPARFLTGVCHA-YQQQUEKLSA-N 0 0 445.485 4.459 40 0 IIABRN Cc1sc2c(c1C)C(c1cccc(Cl)c1)=NCC(=O)N2CC(=O)N1CCCCC1 ZINC000012701258 526887579 /nfs/dbraw/zinc/88/75/79/526887579.db2.gz MUPGOIDQWLXRKC-UHFFFAOYSA-N 0 0 429.973 4.215 40 0 IIABRN Cc1nc(Nc2nc(C)c(Cc3ccc(Br)cc3)c(=O)[nH]2)nc2ccccc12 ZINC000020797929 527005597 /nfs/dbraw/zinc/00/55/97/527005597.db2.gz FMCTVTUHUXJCDA-UHFFFAOYSA-N 0 0 436.313 4.427 40 0 IIABRN O=C(CSc1nnc2n(Cc3ccc(Cl)cc3)c3ccccc3n12)N1CCCC1 ZINC000035314657 527089887 /nfs/dbraw/zinc/08/98/87/527089887.db2.gz RFIWUBGZQKFICF-UHFFFAOYSA-N 0 0 425.945 4.100 40 0 IIABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020492613 527164887 /nfs/dbraw/zinc/16/48/87/527164887.db2.gz QNVVYFZZDCMYMM-UHFFFAOYSA-N 0 0 426.460 4.273 40 0 IIABRN O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012641418 527203520 /nfs/dbraw/zinc/20/35/20/527203520.db2.gz NZJOBAIFRCATBX-UHFFFAOYSA-N 0 0 428.529 4.325 40 0 IIABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000022529086 527223061 /nfs/dbraw/zinc/22/30/61/527223061.db2.gz FTDUZRCMNACPKK-UHFFFAOYSA-N 0 0 449.919 4.196 40 0 IIABRN Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(Cl)cc1Br ZINC000020458772 527384001 /nfs/dbraw/zinc/38/40/01/527384001.db2.gz KDYKNPOWTYFKGN-UHFFFAOYSA-N 0 0 434.721 4.292 40 0 IIABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1Br ZINC000020494687 527459692 /nfs/dbraw/zinc/45/96/92/527459692.db2.gz PBEMLPGJJIBGPH-UHFFFAOYSA-N 0 0 431.311 4.328 40 0 IIABRN O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012710919 527512122 /nfs/dbraw/zinc/51/21/22/527512122.db2.gz IUQZMTBIMKPOET-UHFFFAOYSA-N 0 0 447.535 4.344 40 0 IIABRN O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)C(F)(F)F ZINC000012490689 527514666 /nfs/dbraw/zinc/51/46/66/527514666.db2.gz JSHTUCXGCYLTCL-GOSISDBHSA-N 0 0 426.410 4.500 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000012872098 527516262 /nfs/dbraw/zinc/51/62/62/527516262.db2.gz YYNZTUSBVILVLV-FQEVSTJZSA-N 0 0 442.516 4.103 40 0 IIABRN Cc1ccc(Nc2nc([C@@]3(C)C[C@@]4(C[C@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 ZINC000009761340 555692713 /nfs/dbraw/zinc/69/27/13/555692713.db2.gz XRULNHKVZLXAKX-NLSFWIRASA-N 0 0 444.553 4.332 40 0 IIABRN COc1ccc(C)cc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000001368115 555692748 /nfs/dbraw/zinc/69/27/48/555692748.db2.gz DIKSMDQRNIKOKA-GFCCVEGCSA-N 0 0 429.567 4.157 40 0 IIABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000001466095 555700897 /nfs/dbraw/zinc/70/08/97/555700897.db2.gz CZPWVHFZAWYTEZ-AWEZNQCLSA-N 0 0 448.500 4.215 40 0 IIABRN COc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1cccc(Br)c1 ZINC000001505860 555702211 /nfs/dbraw/zinc/70/22/11/555702211.db2.gz PREYRIJGMMJBJF-OVCLIPMQSA-N 0 0 434.267 4.001 40 0 IIABRN COc1ccc([C@@H]2S/C(=C\c3ccccc3O)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000001633747 555707397 /nfs/dbraw/zinc/70/73/97/555707397.db2.gz JKXGNUGIDWUJAD-YVVITCHPSA-N 0 0 446.528 4.290 40 0 IIABRN O=C(Cc1ccc2c(c1)OCO2)c1cn(C(=O)Cc2ccc3c(c2)OCO3)c2ccccc12 ZINC000001686475 555709643 /nfs/dbraw/zinc/70/96/43/555709643.db2.gz NFSRNVOYRDSTCS-UHFFFAOYSA-N 0 0 441.439 4.407 40 0 IIABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000408544419 555792046 /nfs/dbraw/zinc/79/20/46/555792046.db2.gz SXXZIGZOZCRWHL-UHFFFAOYSA-N 0 0 447.358 4.298 40 0 IIABRN C[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408546615 555801685 /nfs/dbraw/zinc/80/16/85/555801685.db2.gz FYCXMRLBBMSAFM-CYBMUJFWSA-N 0 0 447.409 4.056 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1C ZINC000408548154 555802810 /nfs/dbraw/zinc/80/28/10/555802810.db2.gz PWEDUGCPVFZHLM-UHFFFAOYSA-N 0 0 438.505 4.128 40 0 IIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408563391 555893557 /nfs/dbraw/zinc/89/35/57/555893557.db2.gz VPLOOORKEDJNNL-UHFFFAOYSA-N 0 0 426.336 4.124 40 0 IIABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408557206 555895199 /nfs/dbraw/zinc/89/51/99/555895199.db2.gz MBUGKAHJJLYEQQ-LLVKDONJSA-N 0 0 431.341 4.331 40 0 IIABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 ZINC000408561679 555904232 /nfs/dbraw/zinc/90/42/32/555904232.db2.gz VAKKQXOMBGBYDR-LJQANCHMSA-N 0 0 430.570 4.050 40 0 IIABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000408562968 555906745 /nfs/dbraw/zinc/90/67/45/555906745.db2.gz HDRWFFLUWSUHKY-AWEZNQCLSA-N 0 0 436.936 4.260 40 0 IIABRN Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccc(Br)cc3)o2)cc1 ZINC000408563180 555907117 /nfs/dbraw/zinc/90/71/17/555907117.db2.gz UPLJUBRULJFNPW-UHFFFAOYSA-N 0 0 443.297 4.298 40 0 IIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000408563145 555907198 /nfs/dbraw/zinc/90/71/98/555907198.db2.gz UENSLALUDWYEIP-UHFFFAOYSA-N 0 0 430.357 4.346 40 0 IIABRN COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCN(C)C2 ZINC000408564199 555917507 /nfs/dbraw/zinc/91/75/07/555917507.db2.gz SQZVCKSEBBCGGV-GQCTYLIASA-N 0 0 425.337 4.481 40 0 IIABRN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000408574877 555925486 /nfs/dbraw/zinc/92/54/86/555925486.db2.gz FHAPQJASWAULNS-UHFFFAOYSA-N 0 0 440.521 4.374 40 0 IIABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 ZINC000408583605 555930292 /nfs/dbraw/zinc/93/02/92/555930292.db2.gz IQIPCZMFCUCGCA-UHFFFAOYSA-N 0 0 436.961 4.141 40 0 IIABRN O=C(CN1CCCCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408582325 555933980 /nfs/dbraw/zinc/93/39/80/555933980.db2.gz MYTKDXUHBLAOBC-UHFFFAOYSA-N 0 0 425.598 4.371 40 0 IIABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000408582886 555934246 /nfs/dbraw/zinc/93/42/46/555934246.db2.gz FQLIUJRLVOYIDS-UHFFFAOYSA-N 0 0 430.357 4.249 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C2)c(C)c1 ZINC000408584810 555934792 /nfs/dbraw/zinc/93/47/92/555934792.db2.gz VJUSAWHOMFRLNS-FYYLOGMGSA-N 0 0 442.625 4.150 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NC1CCCCCCC1 ZINC000408584954 555935359 /nfs/dbraw/zinc/93/53/59/555935359.db2.gz XDFBWAOZCBVJCS-UHFFFAOYSA-N 0 0 434.533 4.234 40 0 IIABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1OCC ZINC000408587968 555938496 /nfs/dbraw/zinc/93/84/96/555938496.db2.gz VHVRIKWIGBXUOS-UHFFFAOYSA-N 0 0 428.894 4.117 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408589211 555944761 /nfs/dbraw/zinc/94/47/61/555944761.db2.gz DZTUWTSBNGDKNP-NRFANRHFSA-N 0 0 428.941 4.177 40 0 IIABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 ZINC000408592057 555952858 /nfs/dbraw/zinc/95/28/58/555952858.db2.gz NLUAUFZGUDITOB-UHFFFAOYSA-N 0 0 444.326 4.263 40 0 IIABRN CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593140 555954920 /nfs/dbraw/zinc/95/49/20/555954920.db2.gz LPNQGFGMOUKMRJ-KDOFPFPSSA-N 0 0 443.396 4.188 40 0 IIABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408593361 555959307 /nfs/dbraw/zinc/95/93/07/555959307.db2.gz QAONKJNGUDPEGS-OAHLLOKOSA-N 0 0 436.961 4.357 40 0 IIABRN Cn1c(COc2cccc3ccccc32)nnc1SCC(=O)N1CCc2ccccc2C1 ZINC000408595808 555962552 /nfs/dbraw/zinc/96/25/52/555962552.db2.gz OOZOKWWUDISFNR-UHFFFAOYSA-N 0 0 444.560 4.224 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl ZINC000408596701 555964188 /nfs/dbraw/zinc/96/41/88/555964188.db2.gz XNNOIJYARYBKIA-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc32)n1C ZINC000408597059 555964511 /nfs/dbraw/zinc/96/45/11/555964511.db2.gz VIRFAGNFZONKRB-UHFFFAOYSA-N 0 0 434.521 4.287 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1 ZINC000408597230 555964652 /nfs/dbraw/zinc/96/46/52/555964652.db2.gz YADSXCVPCYCXOB-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408597583 555965389 /nfs/dbraw/zinc/96/53/89/555965389.db2.gz VGZCZJDVAGEJSW-GOSISDBHSA-N 0 0 443.396 4.189 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)cc1C ZINC000408607535 555967931 /nfs/dbraw/zinc/96/79/31/555967931.db2.gz MSZDVFYFIIYCOF-UHFFFAOYSA-N 0 0 449.532 4.012 40 0 IIABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OCC(N)=O ZINC000408609963 555980122 /nfs/dbraw/zinc/98/01/22/555980122.db2.gz PSKORVORDNPWPE-UHFFFAOYSA-N 0 0 431.689 4.117 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)CCc2ccccc2)C2CCCCC2)cc1 ZINC000408610890 555981157 /nfs/dbraw/zinc/98/11/57/555981157.db2.gz OXSMEEHIVRXCPF-OAQYLSRUSA-N 0 0 442.625 4.456 40 0 IIABRN COc1cc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c(OC)cc1Cl ZINC000408617975 555981476 /nfs/dbraw/zinc/98/14/76/555981476.db2.gz IHLUTIWJKDVFQA-GFCCVEGCSA-N 0 0 446.912 4.046 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000408613798 555984124 /nfs/dbraw/zinc/98/41/24/555984124.db2.gz VRKBLUVIPUOUOS-IBGZPJMESA-N 0 0 446.588 4.287 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)Cc1ccc(F)cc1 ZINC000408623430 555992379 /nfs/dbraw/zinc/99/23/79/555992379.db2.gz QPRHQVOOYQFHQA-UHFFFAOYSA-N 0 0 444.553 4.377 40 0 IIABRN CCn1c2ccccc2c2cc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)ccc21 ZINC000408630933 556001989 /nfs/dbraw/zinc/00/19/89/556001989.db2.gz YEVXPMSKVCKPDV-UHFFFAOYSA-N 0 0 439.512 4.358 40 0 IIABRN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2OC1(O)C(=O)c2ccccc2C1=O ZINC000004804630 556012501 /nfs/dbraw/zinc/01/25/01/556012501.db2.gz PSDYWXVFQWCFEU-UHTDJGJFSA-N 0 0 434.532 4.281 40 0 IIABRN CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000408636021 556012763 /nfs/dbraw/zinc/01/27/63/556012763.db2.gz KQUZRSBDMKJASE-UHFFFAOYSA-N 0 0 431.341 4.089 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC)cc2)C2CCCCC2)cc1 ZINC000408635936 556014343 /nfs/dbraw/zinc/01/43/43/556014343.db2.gz KAZZNUOLTRXXMN-UHFFFAOYSA-N 0 0 446.569 4.056 40 0 IIABRN CC(=O)Nc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000408637624 556015185 /nfs/dbraw/zinc/01/51/85/556015185.db2.gz LXTULLYXZNNVSR-UHFFFAOYSA-N 0 0 436.324 4.468 40 0 IIABRN CC(=O)Nc1ccc(-c2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000408639419 556016135 /nfs/dbraw/zinc/01/61/35/556016135.db2.gz WOMDKDZEWLUQMP-UHFFFAOYSA-N 0 0 435.431 4.180 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(SC)c2)c(Cl)c1 ZINC000408636088 556018640 /nfs/dbraw/zinc/01/86/40/556018640.db2.gz LCRUJLXMERMCNA-UHFFFAOYSA-N 0 0 442.990 4.158 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)C2CCCCC2)cc1 ZINC000408636237 556018941 /nfs/dbraw/zinc/01/89/41/556018941.db2.gz MIDZASWRFMBUBF-UHFFFAOYSA-N 0 0 446.569 4.056 40 0 IIABRN Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408643645 556023940 /nfs/dbraw/zinc/02/39/40/556023940.db2.gz BBRLWEYTFOUENE-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408650591 556026783 /nfs/dbraw/zinc/02/67/83/556026783.db2.gz BSJVPLHALBWDQY-KRWDZBQOSA-N 0 0 436.895 4.336 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408648369 556028647 /nfs/dbraw/zinc/02/86/47/556028647.db2.gz 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/nfs/dbraw/zinc/50/51/48/556505148.db2.gz NQROFBNPYRWECG-INIZCTEOSA-N 0 0 437.249 4.112 40 0 IIABRN Cc1ccccc1[C@@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 ZINC000030758091 556505181 /nfs/dbraw/zinc/50/51/81/556505181.db2.gz NWAZXTGMAVXBIS-MBSDFSHPSA-N 0 0 440.540 4.194 40 0 IIABRN O=C(NCCSc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015136978 556505692 /nfs/dbraw/zinc/50/56/92/556505692.db2.gz MLTIWSTZNHHMCW-UHFFFAOYSA-N 0 0 430.526 4.149 40 0 IIABRN C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000030851016 556508624 /nfs/dbraw/zinc/50/86/24/556508624.db2.gz LNCGVZRQJONIQL-FZKQIMNGSA-N 0 0 441.380 4.342 40 0 IIABRN CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccoc1C ZINC000013512192 556510551 /nfs/dbraw/zinc/51/05/51/556510551.db2.gz NWTGUVNBTLNBFA-UHFFFAOYSA-N 0 0 428.514 4.149 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c(C)c1 ZINC000030863557 556511730 /nfs/dbraw/zinc/51/17/30/556511730.db2.gz RMXJMTFYFGOWMS-QGZVFWFLSA-N 0 0 438.524 4.496 40 0 IIABRN COc1ccc(CN(C)C(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000030946147 556517316 /nfs/dbraw/zinc/51/73/16/556517316.db2.gz IYKAFZAGGRXCBV-UHFFFAOYSA-N 0 0 431.374 4.328 40 0 IIABRN COc1ccc(NC(=O)c2cnn(C)c2C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000036617916 556522609 /nfs/dbraw/zinc/52/26/09/556522609.db2.gz CFHMZCIHJVKZCX-UHFFFAOYSA-N 0 0 449.294 4.249 40 0 IIABRN Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2)cs1 ZINC000031540116 556524146 /nfs/dbraw/zinc/52/41/46/556524146.db2.gz XMPNJJXRVNCLGJ-GOSISDBHSA-N 0 0 441.578 4.158 40 0 IIABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581787 556528017 /nfs/dbraw/zinc/52/80/17/556528017.db2.gz XPEMIUIICPTGEJ-UHFFFAOYSA-N 0 0 438.549 4.085 40 0 IIABRN Cc1ccc(C2=NN(C(=O)c3cccc(Br)c3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101100 556529133 /nfs/dbraw/zinc/52/91/33/556529133.db2.gz JRNDYYDLKCDNSN-QGZVFWFLSA-N 0 0 427.220 4.259 40 0 IIABRN Cc1ccc(CN(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000032107048 556530073 /nfs/dbraw/zinc/53/00/73/556530073.db2.gz LOROKBIIODQTHN-UHFFFAOYSA-N 0 0 434.989 4.098 40 0 IIABRN COc1ccc(Br)cc1C=CC(=O)NC(=S)NC1C2CC3CC(C2)CC1C3 ZINC000032119167 556533454 /nfs/dbraw/zinc/53/34/54/556533454.db2.gz PVEFPIJCTZRVCL-GORDUTHDSA-N 0 0 449.414 4.286 40 0 IIABRN Cc1cc(OCC(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc(C)c1Cl ZINC000032127593 556536650 /nfs/dbraw/zinc/53/66/50/556536650.db2.gz LZFDVOMBNYVLRO-UHFFFAOYSA-N 0 0 431.945 4.421 40 0 IIABRN COc1ccc(-c2c(C)nn3c2nnc(C(=O)Nc2ccc(Cl)cc2)c3C)cc1OC ZINC000013635877 556541201 /nfs/dbraw/zinc/54/12/01/556541201.db2.gz OTHSNYJYSPMXAV-UHFFFAOYSA-N 0 0 437.887 4.331 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032639716 556544058 /nfs/dbraw/zinc/54/40/58/556544058.db2.gz ZEPQHSJGIVYITJ-IAGOWNOFSA-N 0 0 427.378 4.268 40 0 IIABRN Cc1ccc(C)c(N2C(SCc3ccc(F)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640414 556544922 /nfs/dbraw/zinc/54/49/22/556544922.db2.gz FGOWNZULXVRAMY-HKUYNNGSSA-N 0 0 438.977 4.371 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2cc(Cl)ccc2C)cc1 ZINC000013648689 556545050 /nfs/dbraw/zinc/54/50/50/556545050.db2.gz FVSLBBPMEWAPRF-QGZVFWFLSA-N 0 0 434.989 4.411 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640469 556545120 /nfs/dbraw/zinc/54/51/20/556545120.db2.gz JDGJEYDALBBLHQ-DLBZAZTESA-N 0 0 427.378 4.268 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1Cl)N2c1cccc(Cl)c1 ZINC000032640504 556545123 /nfs/dbraw/zinc/54/51/23/556545123.db2.gz STVQYEBLSDAKTK-SJORKVTESA-N 0 0 427.378 4.268 40 0 IIABRN Cc1ccc(CN(c2ccc(C(=O)NCCCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000013668377 556549001 /nfs/dbraw/zinc/54/90/01/556549001.db2.gz UDWFEVKLUSLMNY-UHFFFAOYSA-N 0 0 436.577 4.324 40 0 IIABRN Cc1cccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013672869 556553041 /nfs/dbraw/zinc/55/30/41/556553041.db2.gz GWTMLSGWZKRZML-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013676784 556554384 /nfs/dbraw/zinc/55/43/84/556554384.db2.gz LGTTWCXWEBOSAP-UHFFFAOYSA-N 0 0 428.598 4.171 40 0 IIABRN O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013678078 556555444 /nfs/dbraw/zinc/55/54/44/556555444.db2.gz PMBGGUKBIANJCS-OAHLLOKOSA-N 0 0 447.428 4.374 40 0 IIABRN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000013679171 556555788 /nfs/dbraw/zinc/55/57/88/556555788.db2.gz CXXFYNNAEYWPHE-MRXNPFEDSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000013682991 556557898 /nfs/dbraw/zinc/55/78/98/556557898.db2.gz BNXAGWUYPGOKSF-SFHVURJKSA-N 0 0 449.016 4.284 40 0 IIABRN CCc1nnc2sc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)nn12 ZINC000016162675 556586727 /nfs/dbraw/zinc/58/67/27/556586727.db2.gz TXYOJOJRLDKSGJ-UHFFFAOYSA-N 0 0 427.917 4.395 40 0 IIABRN COc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1Br ZINC000016226718 556592774 /nfs/dbraw/zinc/59/27/74/556592774.db2.gz PCUAHFRUQIECBF-UHFFFAOYSA-N 0 0 444.148 4.347 40 0 IIABRN COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000016226868 556592777 /nfs/dbraw/zinc/59/27/77/556592777.db2.gz VMDOOZWZWVOLDT-UHFFFAOYSA-N 0 0 436.961 4.311 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016227005 556593126 /nfs/dbraw/zinc/59/31/26/556593126.db2.gz LHBIKNBHWLOARM-UHFFFAOYSA-N 0 0 446.912 4.167 40 0 IIABRN Cc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c(O)c1 ZINC000016291074 556597607 /nfs/dbraw/zinc/59/76/07/556597607.db2.gz DFOBAXIRNMTXFF-UHFFFAOYSA-N 0 0 446.697 4.085 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000016347438 556601862 /nfs/dbraw/zinc/60/18/62/556601862.db2.gz JCBYKVYWWGKGAZ-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN COc1cccc([C@H]2c3c(O)n(-c4ccc(C)c(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100935299 556612066 /nfs/dbraw/zinc/61/20/66/556612066.db2.gz RHSRUBXZYIKUKT-SGNDLWITSA-N 0 0 428.488 4.363 40 0 IIABRN C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016576327 556616099 /nfs/dbraw/zinc/61/60/99/556616099.db2.gz LDTMVHNOSDIKES-NRFANRHFSA-N 0 0 436.577 4.015 40 0 IIABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000038753492 556616388 /nfs/dbraw/zinc/61/63/88/556616388.db2.gz ZQRZGKFRARDXLR-MRXNPFEDSA-N 0 0 444.503 4.422 40 0 IIABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038756441 556618117 /nfs/dbraw/zinc/61/81/17/556618117.db2.gz ULSMVHJTCKFLHJ-YKSBVNFPSA-N 0 0 436.577 4.364 40 0 IIABRN CCc1ccc(OCC(=O)NCc2ccccc2-n2ccnc2C)c(Br)c1 ZINC000038772428 556619366 /nfs/dbraw/zinc/61/93/66/556619366.db2.gz QKIVSLHPGXGBQH-UHFFFAOYSA-N 0 0 428.330 4.201 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038849539 556624076 /nfs/dbraw/zinc/62/40/76/556624076.db2.gz OWELLGXNTPWAIJ-IBGZPJMESA-N 0 0 436.961 4.112 40 0 IIABRN CCN(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985447 556631903 /nfs/dbraw/zinc/63/19/03/556631903.db2.gz JWALRMHAWLTWDV-UHFFFAOYSA-N 0 0 433.382 4.365 40 0 IIABRN Nc1nc(N2CCc3ccccc3C2)[nH]c(=O)c1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000040385585 556635737 /nfs/dbraw/zinc/63/57/37/556635737.db2.gz GZBZTKLKNLNYST-UHFFFAOYSA-N 0 0 446.363 4.009 40 0 IIABRN Cc1nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c2c(=S)n1-c1ccc(Cl)cc1 ZINC000040386893 556636004 /nfs/dbraw/zinc/63/60/04/556636004.db2.gz QSFZQZAWKBVQGU-UHFFFAOYSA-N 0 0 435.940 4.363 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2c(Cl)cccc2Cl)cc1 ZINC000017096382 556660198 /nfs/dbraw/zinc/66/01/98/556660198.db2.gz SEQDGASAXWUDNM-UHFFFAOYSA-N 0 0 429.369 4.017 40 0 IIABRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC ZINC000017124656 556668834 /nfs/dbraw/zinc/66/88/34/556668834.db2.gz MXROFCLJNJDLBB-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000044849546 556670242 /nfs/dbraw/zinc/67/02/42/556670242.db2.gz WOYWOGFHINNIPN-GOSISDBHSA-N 0 0 438.549 4.152 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1C ZINC000044856428 556672244 /nfs/dbraw/zinc/67/22/44/556672244.db2.gz UVCITTLVFBARQM-HTAPYJJXSA-N 0 0 444.597 4.005 40 0 IIABRN O=C(NCCc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000017297615 556674882 /nfs/dbraw/zinc/67/48/82/556674882.db2.gz LFWBHFCZNOOJQZ-UHFFFAOYSA-N 0 0 441.380 4.141 40 0 IIABRN CN(C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000044903980 556679238 /nfs/dbraw/zinc/67/92/38/556679238.db2.gz YZVGOLNCNKXYIQ-UHFFFAOYSA-N 0 0 441.380 4.198 40 0 IIABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000017959283 556680414 /nfs/dbraw/zinc/68/04/14/556680414.db2.gz YHZWHMYWOXGMPR-QGZVFWFLSA-N 0 0 434.989 4.325 40 0 IIABRN COc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000018058747 556682453 /nfs/dbraw/zinc/68/24/53/556682453.db2.gz ZAYSVDYPHSILKN-UFYCRDLUSA-N 0 0 440.908 4.461 40 0 IIABRN CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccc(C)c3)n2)cc1 ZINC000000797071 556695852 /nfs/dbraw/zinc/69/58/52/556695852.db2.gz IBIIOSWBAGBSHY-UHFFFAOYSA-N 0 0 440.507 4.102 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000000806912 556697359 /nfs/dbraw/zinc/69/73/59/556697359.db2.gz NTMGZYXXDZZDND-UHFFFAOYSA-N 0 0 443.352 4.041 40 0 IIABRN COCCC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)(C)C)C1 ZINC000019082877 556697575 /nfs/dbraw/zinc/69/75/75/556697575.db2.gz QXEKIUNUYZYQIV-AREMUKBSSA-N 0 0 440.559 4.205 40 0 IIABRN Cc1cc(C)n2ncc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3cccc(Cl)c3)c2n1 ZINC000019116570 556699919 /nfs/dbraw/zinc/69/99/19/556699919.db2.gz OIFQKUQKFFCGEK-HXUWFJFHSA-N 0 0 434.931 4.052 40 0 IIABRN Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)n1 ZINC000019118553 556700577 /nfs/dbraw/zinc/70/05/77/556700577.db2.gz JPTDXTJZNQHJAI-UHFFFAOYSA-N 0 0 435.475 4.286 40 0 IIABRN Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1C ZINC000019119292 556700604 /nfs/dbraw/zinc/70/06/04/556700604.db2.gz IJVPFOFWFGOHRY-GOSISDBHSA-N 0 0 446.477 4.448 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000019121858 556701166 /nfs/dbraw/zinc/70/11/66/556701166.db2.gz JMAAHBZBKUMSCR-LJQANCHMSA-N 0 0 439.947 4.456 40 0 IIABRN O=C(c1ccccc1Cn1cncn1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257207898 556701966 /nfs/dbraw/zinc/70/19/66/556701966.db2.gz BJVJLSUZMGARHY-QFIPXVFZSA-N 0 0 444.926 4.414 40 0 IIABRN Cc1nccn1Cc1cccc(C(=O)N2CCOC[C@@H](Cc3cccc4ccncc43)C2)c1 ZINC000257322482 556704585 /nfs/dbraw/zinc/70/45/85/556704585.db2.gz WGDQWFTYTDWEGY-QFIPXVFZSA-N 0 0 440.547 4.119 40 0 IIABRN Cc1ccc(OCCCC(=O)N2CCO[C@@H](c3nc(-c4ccccc4C)no3)C2)c(C)c1 ZINC000019132821 556704693 /nfs/dbraw/zinc/70/46/93/556704693.db2.gz VALZDFSQBRFZQB-JOCHJYFZSA-N 0 0 435.524 4.421 40 0 IIABRN COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1c1nc(C)ncc1-c1ccncc1C ZINC000019134254 556705299 /nfs/dbraw/zinc/70/52/99/556705299.db2.gz OOCPFLIYLRVUKO-OAQYLSRUSA-N 0 0 432.524 4.215 40 0 IIABRN COc1ccc(C)cc1NC(=O)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 ZINC000019133802 556705393 /nfs/dbraw/zinc/70/53/93/556705393.db2.gz HRIMHCCKVPFGJU-UHFFFAOYSA-N 0 0 437.471 4.403 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC000019135626 556706222 /nfs/dbraw/zinc/70/62/22/556706222.db2.gz YTIPDSHWXWYYAM-LYZGTLIUSA-N 0 0 441.575 4.368 40 0 IIABRN COc1cc(C)ccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 ZINC000257335807 556706341 /nfs/dbraw/zinc/70/63/41/556706341.db2.gz YLYURDHQCFKRQK-RUZDIDTESA-N 0 0 439.531 4.071 40 0 IIABRN Cc1ccc(C2(C(=O)N[C@H](c3cc(=O)n4nc(-c5ccccn5)cc4[nH]3)C(C)C)CC2)cc1 ZINC000019136849 556706424 /nfs/dbraw/zinc/70/64/24/556706424.db2.gz ASTYLOCVZQLIHH-DEOSSOPVSA-N 0 0 441.535 4.350 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000257244617 556710643 /nfs/dbraw/zinc/71/06/43/556710643.db2.gz IMCMMOVBELFYBH-GGAORHGYSA-N 0 0 448.485 4.484 40 0 IIABRN Cc1ccc(C(=O)N2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(=O)N(C)C)C2)s1 ZINC000019216890 556712223 /nfs/dbraw/zinc/71/22/23/556712223.db2.gz IUHPAIZTWRCZRM-VWLOTQADSA-N 0 0 448.592 4.067 40 0 IIABRN Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257260991 556712367 /nfs/dbraw/zinc/71/23/67/556712367.db2.gz LFISQSBEOIQQKV-GOSISDBHSA-N 0 0 447.491 4.035 40 0 IIABRN Cc1cc(-c2cnc(NCCNC(=O)c3cccnc3C)nc2-c2ccc(C)s2)on1 ZINC000019217434 556712788 /nfs/dbraw/zinc/71/27/88/556712788.db2.gz ZNFWUSMQXPTNHT-UHFFFAOYSA-N 0 0 434.525 4.022 40 0 IIABRN Cc1ccc2c(c1)C(=O)NCC1(CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC1)O2 ZINC000019219084 556713836 /nfs/dbraw/zinc/71/38/36/556713836.db2.gz JULFBAPPHOLRKD-UHFFFAOYSA-N 0 0 446.469 4.381 40 0 IIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)CSc1ccncc1 ZINC000019220011 556714424 /nfs/dbraw/zinc/71/44/24/556714424.db2.gz FMERUDVWPZDQHE-CQSZACIVSA-N 0 0 435.471 4.021 40 0 IIABRN COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@@H]3CCCOC3)CCOCC2)c1 ZINC000257277445 556714625 /nfs/dbraw/zinc/71/46/25/556714625.db2.gz NXZSNPMYPBOOBR-OAQYLSRUSA-N 0 0 427.516 4.136 40 0 IIABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CCCn4cncn4)C3)c(-c3ccncc3)c2c1 ZINC000019220224 556714712 /nfs/dbraw/zinc/71/47/12/556714712.db2.gz MEGGSMWKSCYBES-FQEVSTJZSA-N 0 0 428.540 4.316 40 0 IIABRN COc1ccc([C@H]2N(C(=O)Cc3coc4cc(C)ccc34)CCC[C@]23CCC(=O)N3)cc1 ZINC000019221633 556715757 /nfs/dbraw/zinc/71/57/57/556715757.db2.gz OLUOBFIZEBBNTQ-FTJBHMTQSA-N 0 0 432.520 4.305 40 0 IIABRN Cc1[nH]c2ccc(CNC(=O)CN3CCOC[C@@H](Cc4cccc5occc54)C3)cc2c1C ZINC000257291290 556716330 /nfs/dbraw/zinc/71/63/30/556716330.db2.gz QGJJRJVPFSLRLV-NRFANRHFSA-N 0 0 445.563 4.338 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccc(C)c2)C1 ZINC000019234602 556718719 /nfs/dbraw/zinc/71/87/19/556718719.db2.gz HCWZVUQTHVVQPZ-AREMUKBSSA-N 0 0 432.589 4.473 40 0 IIABRN Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)Cc3cccc(F)c3)C2)c1 ZINC000019235481 556719900 /nfs/dbraw/zinc/71/99/00/556719900.db2.gz OBLPRSWKGJZNQH-MHZLTWQESA-N 0 0 430.523 4.290 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cccc(OC)c2)C1 ZINC000019235497 556720239 /nfs/dbraw/zinc/72/02/39/556720239.db2.gz ZLNNQUCOBYCKKY-NDEPHWFRSA-N 0 0 442.559 4.492 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)COc3c(C)cccc3C)CC1)N2 ZINC000019236032 556720432 /nfs/dbraw/zinc/72/04/32/556720432.db2.gz BLSCYYFVIPGVOX-RBUKOAKNSA-N 0 0 432.515 4.116 40 0 IIABRN CC(=O)Nc1c(Br)cc(NC(=O)Cc2ccccc2)cc1Br ZINC000000854202 556722235 /nfs/dbraw/zinc/72/22/35/556722235.db2.gz DVLXHBUBRNRUCK-UHFFFAOYSA-N 0 0 426.108 4.351 40 0 IIABRN Cc1cnc(C(=O)N2CCCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)cn1 ZINC000019238912 556724479 /nfs/dbraw/zinc/72/44/79/556724479.db2.gz BYTVFQIMMFIHFR-JCGIZDLHSA-N 0 0 436.482 4.293 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1 ZINC000019239718 556725433 /nfs/dbraw/zinc/72/54/33/556725433.db2.gz PJMGUDNGZQENSX-QHCPKHFHSA-N 0 0 445.567 4.218 40 0 IIABRN Cc1nc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cc(=O)[nH]1 ZINC000019285365 556727067 /nfs/dbraw/zinc/72/70/67/556727067.db2.gz KZHXFZNVKPMQBZ-DEOSSOPVSA-N 0 0 441.506 4.450 40 0 IIABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000000874456 556728992 /nfs/dbraw/zinc/72/89/92/556728992.db2.gz SKOHCRDPLJQGKS-OAQYLSRUSA-N 0 0 427.614 4.333 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NC[C@@H]3CCCO3)C3CCCCC3)cc12 ZINC000000878489 556730308 /nfs/dbraw/zinc/73/03/08/556730308.db2.gz HFKFSVZUSOAUQF-FQEVSTJZSA-N 0 0 427.614 4.333 40 0 IIABRN Cc1nc2ccccc2n1S(=O)(=O)c1cc(C)c(Br)cc1Br ZINC000054363009 556730483 /nfs/dbraw/zinc/73/04/83/556730483.db2.gz HGZLRYYNIAXPLL-UHFFFAOYSA-N 0 0 444.148 4.415 40 0 IIABRN Cc1cc2cc(CN(C(=S)NC[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000000878854 556730871 /nfs/dbraw/zinc/73/08/71/556730871.db2.gz JNBWJDGOEGOCBY-OAQYLSRUSA-N 0 0 427.614 4.333 40 0 IIABRN O=C(CC[C@@H]1CCCO1)N1CCc2nc(-c3cccnc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019293974 556733560 /nfs/dbraw/zinc/73/35/60/556733560.db2.gz IARNCZLYYFOXJJ-FQEVSTJZSA-N 0 0 447.514 4.265 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)cc12 ZINC000000894168 556740483 /nfs/dbraw/zinc/74/04/83/556740483.db2.gz SOVIZIDEVKWHGA-DEOSSOPVSA-N 0 0 440.551 4.399 40 0 IIABRN Cc1ccc(OCc2nnc(SCC(=O)N3CCCCC3)n2Cc2ccccc2)cc1 ZINC000000899539 556741690 /nfs/dbraw/zinc/74/16/90/556741690.db2.gz WQGHKWOHLCMTTG-UHFFFAOYSA-N 0 0 436.581 4.318 40 0 IIABRN O=C(c1ccc2c(c1)OCO2)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 ZINC000019345487 556742305 /nfs/dbraw/zinc/74/23/05/556742305.db2.gz IRBDBOXWQCJPDB-UHFFFAOYSA-N 0 0 428.492 4.165 40 0 IIABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000000903409 556742837 /nfs/dbraw/zinc/74/28/37/556742837.db2.gz ULDOLNUUCUPBKS-UHFFFAOYSA-N 0 0 442.614 4.345 40 0 IIABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000000903407 556742857 /nfs/dbraw/zinc/74/28/57/556742857.db2.gz GMMAVVAZPMAEEO-UHFFFAOYSA-N 0 0 442.614 4.345 40 0 IIABRN Cc1ccc(S(=O)(=O)c2nc(-c3cccc4ccccc43)oc2N2CCOCC2)cc1 ZINC000000904475 556743050 /nfs/dbraw/zinc/74/30/50/556743050.db2.gz SLZUJQUFTMEMLH-UHFFFAOYSA-N 0 0 434.517 4.473 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000000905664 556743424 /nfs/dbraw/zinc/74/34/24/556743424.db2.gz AKGXAKWZFKDXDQ-OAHLLOKOSA-N 0 0 443.956 4.268 40 0 IIABRN NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000019348305 556743755 /nfs/dbraw/zinc/74/37/55/556743755.db2.gz AJHGVSVHWCKEAA-RUZDIDTESA-N 0 0 436.552 4.434 40 0 IIABRN O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CNc1ccccc1OCCN1CCOCC1 ZINC000019350066 556744679 /nfs/dbraw/zinc/74/46/79/556744679.db2.gz SBZKAAUGHJIPDE-UHFFFAOYSA-N 0 0 439.943 4.018 40 0 IIABRN O=C(Cc1csc(-c2ccccc2F)n1)N1CCC([C@@H]2CNC(=O)c3ccccc32)CC1 ZINC000019368443 556746597 /nfs/dbraw/zinc/74/65/97/556746597.db2.gz YQWRUPOEMMZKCP-NRFANRHFSA-N 0 0 449.551 4.258 40 0 IIABRN Cc1ccccc1CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)NC[C@@H]1CCCO1 ZINC000000920071 556749500 /nfs/dbraw/zinc/74/95/00/556749500.db2.gz FPPAJDGBRPPDRX-QHCPKHFHSA-N 0 0 449.620 4.243 40 0 IIABRN O=C([C@@H]1CCCCO1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373285 556750004 /nfs/dbraw/zinc/75/00/04/556750004.db2.gz JYMOBWJVGGIMDZ-UGKGYDQZSA-N 0 0 429.524 4.167 40 0 IIABRN Cc1cc(C)c2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000923869 556751912 /nfs/dbraw/zinc/75/19/12/556751912.db2.gz RYALXLBJUCUDBJ-UHFFFAOYSA-N 0 0 440.496 4.268 40 0 IIABRN COc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)c(OC)c1 ZINC000000925229 556752582 /nfs/dbraw/zinc/75/25/82/556752582.db2.gz MHJKEAOINPMNTD-UHFFFAOYSA-N 0 0 428.514 4.047 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)Cc3ccccc3)cc2c1 ZINC000000926721 556753565 /nfs/dbraw/zinc/75/35/65/556753565.db2.gz MEPMRRLYMFCQPQ-UHFFFAOYSA-N 0 0 442.567 4.449 40 0 IIABRN Cc1cc2cc(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2cc1C ZINC000000927148 556753832 /nfs/dbraw/zinc/75/38/32/556753832.db2.gz RFQJRYIYTVLZAI-UHFFFAOYSA-N 0 0 446.555 4.432 40 0 IIABRN Cc1cc(C)c2cc(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927350 556753884 /nfs/dbraw/zinc/75/38/84/556753884.db2.gz VIIAVQBWUDZAFJ-UHFFFAOYSA-N 0 0 446.555 4.432 40 0 IIABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000101192617 556758255 /nfs/dbraw/zinc/75/82/55/556758255.db2.gz GLVBQKOMRGPEFT-VABKMULXSA-N 0 0 432.451 4.276 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 ZINC000019448899 556758692 /nfs/dbraw/zinc/75/86/92/556758692.db2.gz WIIBANPLKRVXEX-HHHXNRCGSA-N 0 0 442.563 4.133 40 0 IIABRN COc1ccc(NC(=S)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1 ZINC000000933355 556759207 /nfs/dbraw/zinc/75/92/07/556759207.db2.gz ZZRHPABZTMMWDU-UHFFFAOYSA-N 0 0 427.482 4.367 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000019449161 556759433 /nfs/dbraw/zinc/75/94/33/556759433.db2.gz YDMZKGFZJSEMBC-OFVILXPXSA-N 0 0 440.609 4.270 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(Cc2ccccn2)CCO1 ZINC000019449736 556760385 /nfs/dbraw/zinc/76/03/85/556760385.db2.gz SXWVOAAHYAFGFH-RUZDIDTESA-N 0 0 435.593 4.148 40 0 IIABRN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC000019452016 556762991 /nfs/dbraw/zinc/76/29/91/556762991.db2.gz HVJBLVBJETXEJS-CQSZACIVSA-N 0 0 435.450 4.358 40 0 IIABRN COc1c(C(C)C)cc(NC(=O)Cn2nc(-c3cccs3)cc(N)c2=O)cc1C(C)C ZINC000019452160 556763142 /nfs/dbraw/zinc/76/31/42/556763142.db2.gz LBGAXXWETXKLJM-UHFFFAOYSA-N 0 0 440.569 4.448 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC000019454835 556764920 /nfs/dbraw/zinc/76/49/20/556764920.db2.gz LTBOGHHSLSAHHI-DEOSSOPVSA-N 0 0 436.581 4.014 40 0 IIABRN C[C@@H](C(=O)N1CC[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)N(C)C)C1)c1ccccc1 ZINC000019458990 556766195 /nfs/dbraw/zinc/76/61/95/556766195.db2.gz GSBYHXRRFYLKJD-LYZGTLIUSA-N 0 0 441.575 4.402 40 0 IIABRN CC1(C)Oc2ccc(NC(=O)c3cc(C4CCN(C(=O)C5CCCC5)CC4)no3)cc2O1 ZINC000019461760 556767764 /nfs/dbraw/zinc/76/77/64/556767764.db2.gz BVISZWVBOZBIQN-UHFFFAOYSA-N 0 0 439.512 4.330 40 0 IIABRN 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Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019740708 556881495 /nfs/dbraw/zinc/88/14/95/556881495.db2.gz TTYQIFDDNSUEDB-OAQYLSRUSA-N 0 0 436.531 4.257 40 0 IIABRN CCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3C(=O)Cc3ccc(C)c(C)c3)nc21 ZINC000019741071 556882485 /nfs/dbraw/zinc/88/24/85/556882485.db2.gz AWFAHDROTUNEMV-JOCHJYFZSA-N 0 0 434.584 4.387 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 ZINC000019741207 556882845 /nfs/dbraw/zinc/88/28/45/556882845.db2.gz VLSKHTFOEVMJPF-NRFANRHFSA-N 0 0 448.567 4.159 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)CC(C)C)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741690 556884403 /nfs/dbraw/zinc/88/44/03/556884403.db2.gz PBNMVFUJUCCTMP-QFIPXVFZSA-N 0 0 434.584 4.407 40 0 IIABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c12 ZINC000019742341 556886128 /nfs/dbraw/zinc/88/61/28/556886128.db2.gz MYPSJOMTXYUDHC-CYBMUJFWSA-N 0 0 432.450 4.212 40 0 IIABRN COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)ccc12 ZINC000019742779 556886917 /nfs/dbraw/zinc/88/69/17/556886917.db2.gz UEWUUGZCEGAVGT-IBGZPJMESA-N 0 0 433.556 4.475 40 0 IIABRN COc1ccc(-c2ccc(CN3CCC[C@@H]3c3nc4c(c(C)n3)CC(=O)N4C)cc2)cc1 ZINC000019744189 556889945 /nfs/dbraw/zinc/88/99/45/556889945.db2.gz FBAZRGIBDJYSOW-HSZRJFAPSA-N 0 0 428.536 4.317 40 0 IIABRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1ccccc1Br ZINC000408919161 556891544 /nfs/dbraw/zinc/89/15/44/556891544.db2.gz UEFFSDGDTSNXHD-MHWRWJLKSA-N 0 0 448.294 4.391 40 0 IIABRN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OCC)c1 ZINC000408931003 556894529 /nfs/dbraw/zinc/89/45/29/556894529.db2.gz FYBKTPVDIDVHOG-ODLFYWEKSA-N 0 0 444.484 4.298 40 0 IIABRN CC(C)c1ccc([C@H](C)NC(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)cc1 ZINC000019750716 556894759 /nfs/dbraw/zinc/89/47/59/556894759.db2.gz ZCZDSHOTHNPSPH-KRWDZBQOSA-N 0 0 435.499 4.241 40 0 IIABRN CC(=O)N1CCC[C@H]1c1nc2c(c(NCC3(c4ccccc4)CCCC3)n1)CCN(C)C2 ZINC000019752903 556896529 /nfs/dbraw/zinc/89/65/29/556896529.db2.gz HCMLCGJOYGLLAO-QHCPKHFHSA-N 0 0 433.600 4.072 40 0 IIABRN O=C1N/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1ccccc1F ZINC000408952544 556898335 /nfs/dbraw/zinc/89/83/35/556898335.db2.gz LVBFXWJFBZZKRG-SDQBBNPISA-N 0 0 444.054 4.037 40 0 IIABRN CCc1nn(C)c(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)c1C ZINC000019755902 556899266 /nfs/dbraw/zinc/89/92/66/556899266.db2.gz ONWYENCIWCJRPO-OAQYLSRUSA-N 0 0 446.555 4.009 40 0 IIABRN CC(C)(C)c1ccc(C(=O)N2CCN(c3c4[nH]c(=NN)sc4ccc3Cl)CC2)cc1 ZINC000072230132 556901328 /nfs/dbraw/zinc/90/13/28/556901328.db2.gz LZCOFIKCMFFMQH-UHFFFAOYSA-N 0 0 444.004 4.495 40 0 IIABRN COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019761280 556904554 /nfs/dbraw/zinc/90/45/54/556904554.db2.gz JTEIMKLMICOZIX-HNNXBMFYSA-N 0 0 437.927 4.228 40 0 IIABRN COc1c(C)cccc1C(=O)N1CC[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761858 556905623 /nfs/dbraw/zinc/90/56/23/556905623.db2.gz IPZUHHCMZQKGGG-GOSISDBHSA-N 0 0 431.536 4.320 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 ZINC000408978378 556905690 /nfs/dbraw/zinc/90/56/90/556905690.db2.gz ZBYJLSWIZOGAMK-OAHLLOKOSA-N 0 0 434.455 4.022 40 0 IIABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000408976493 556906221 /nfs/dbraw/zinc/90/62/21/556906221.db2.gz BACZZDHJQCDZGP-UHFFFAOYSA-N 0 0 446.931 4.351 40 0 IIABRN COc1cccc2cc(CN3CCO[C@@H](c4cc(C(=O)N(C)C)c5ccccc5n4)C3)oc21 ZINC000019762292 556906583 /nfs/dbraw/zinc/90/65/83/556906583.db2.gz LYKJGPJJIPHFQE-XMMPIXPASA-N 0 0 445.519 4.265 40 0 IIABRN COc1ccc(C2(C(=O)N3CC[C@H](n4nc(-c5cccs5)ccc4=O)[C@@H](C)C3)CC2)cc1 ZINC000072335386 556908291 /nfs/dbraw/zinc/90/82/91/556908291.db2.gz ICYOTGBOHPVOMT-UWJYYQICSA-N 0 0 449.576 4.122 40 0 IIABRN O=C(CCC1CCCC1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 ZINC000072338419 556911206 /nfs/dbraw/zinc/91/12/06/556911206.db2.gz ACBJIACIPSMFOH-QFIPXVFZSA-N 0 0 449.599 4.052 40 0 IIABRN COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(OC)c(CO)c1)[C@@H]3c1cccnc1 ZINC000072341999 556914286 /nfs/dbraw/zinc/91/42/86/556914286.db2.gz WYGUBJIOLMQQLJ-AREMUKBSSA-N 0 0 429.520 4.220 40 0 IIABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000409004533 556915133 /nfs/dbraw/zinc/91/51/33/556915133.db2.gz XMSPAKRIMKSPON-NQIIRXRSSA-N 0 0 430.460 4.297 40 0 IIABRN CCN(CC)C(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409005417 556915640 /nfs/dbraw/zinc/91/56/40/556915640.db2.gz IMFCIXJPUKZSSG-UHFFFAOYSA-N 0 0 447.359 4.192 40 0 IIABRN C[C@H](Oc1ccccc1F)C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 ZINC000072344993 556916318 /nfs/dbraw/zinc/91/63/18/556916318.db2.gz WUKVPVHRUXDAHU-KRWDZBQOSA-N 0 0 430.483 4.372 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)nc1C ZINC000072345522 556917312 /nfs/dbraw/zinc/91/73/12/556917312.db2.gz BGQFZSSWCRBQND-JOCHJYFZSA-N 0 0 433.556 4.045 40 0 IIABRN Cc1nc2cc([C@@H]3CCCN3Cc3cccc(F)c3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351275 556921086 /nfs/dbraw/zinc/92/10/86/556921086.db2.gz GNMACDMSYXRMNY-QHCPKHFHSA-N 0 0 437.563 4.280 40 0 IIABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O ZINC000409016026 556921190 /nfs/dbraw/zinc/92/11/90/556921190.db2.gz UCMXHGUWNCLCGZ-PILJQMSFSA-N 0 0 449.326 4.228 40 0 IIABRN CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Cl ZINC000409021830 556922431 /nfs/dbraw/zinc/92/24/31/556922431.db2.gz AYIRATOZVIDJGP-LICLKQGHSA-N 0 0 448.306 4.232 40 0 IIABRN Cc1ccc(Cc2c(C)nc(NC(=[NH2+])N3CCC(Cc4ccccc4)CC3)[n-]c2=O)cc1 ZINC000019819796 556923007 /nfs/dbraw/zinc/92/30/07/556923007.db2.gz XPCUHQJXGRFEKM-UHFFFAOYSA-N 0 0 429.568 4.279 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(O)c1 ZINC000019820202 556923656 /nfs/dbraw/zinc/92/36/56/556923656.db2.gz VRQLJMDXZPTHDS-PKTZIBPZSA-N 0 0 441.487 4.057 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)c2ccccc2)cc1 ZINC000409028103 556924609 /nfs/dbraw/zinc/92/46/09/556924609.db2.gz HIDHIGLLNJZAAR-UHFFFAOYSA-N 0 0 446.638 4.372 40 0 IIABRN COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H]1c1ccc(Nc3ccccn3)cn1)CO2 ZINC000072353106 556925301 /nfs/dbraw/zinc/92/53/01/556925301.db2.gz SEUIMHVNFWCUFC-JOCHJYFZSA-N 0 0 428.492 4.368 40 0 IIABRN O=C(COc1ccc(F)cc1F)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353129 556925674 /nfs/dbraw/zinc/92/56/74/556925674.db2.gz QIZXVXOTXGKMMK-IBGZPJMESA-N 0 0 428.414 4.380 40 0 IIABRN CC(=O)c1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000409027331 556926634 /nfs/dbraw/zinc/92/66/34/556926634.db2.gz AJGYVTWDOJOXLA-UHFFFAOYSA-N 0 0 442.924 4.377 40 0 IIABRN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Br)c1OC ZINC000409032542 556927538 /nfs/dbraw/zinc/92/75/38/556927538.db2.gz JVMMAWXSYQUFFD-WJDWOHSUSA-N 0 0 447.354 4.461 40 0 IIABRN CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3Cl)N(C)C2=S)cc1 ZINC000409035771 556928537 /nfs/dbraw/zinc/92/85/37/556928537.db2.gz QPVIIAZMBKSICZ-YVLHZVERSA-N 0 0 432.929 4.360 40 0 IIABRN Cc1nc(C)n(CC(=O)N2CCC[C@@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)n1 ZINC000072354150 556929072 /nfs/dbraw/zinc/92/90/72/556929072.db2.gz GHIOHAIMLUFBBJ-OAQYLSRUSA-N 0 0 437.975 4.249 40 0 IIABRN Cc1nc(C)n(CC(=O)N2CCC[C@@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)n1 ZINC000072354152 556929106 /nfs/dbraw/zinc/92/91/06/556929106.db2.gz ANWPVIIVTHYYJX-OAQYLSRUSA-N 0 0 437.975 4.249 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072354233 556929609 /nfs/dbraw/zinc/92/96/09/556929609.db2.gz APFZDMANNKTKQW-FQEVSTJZSA-N 0 0 443.544 4.293 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072354232 556929647 /nfs/dbraw/zinc/92/96/47/556929647.db2.gz APFZDMANNKTKQW-HXUWFJFHSA-N 0 0 443.544 4.293 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 ZINC000072356112 556930731 /nfs/dbraw/zinc/93/07/31/556930731.db2.gz OKKFCGOJZNIXHM-NRFANRHFSA-N 0 0 449.473 4.041 40 0 IIABRN O=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1CCOc1ccccc1 ZINC000409051917 556933399 /nfs/dbraw/zinc/93/33/99/556933399.db2.gz DFGCTAVKEXVZHR-MFOYZWKCSA-N 0 0 448.294 4.293 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000409052082 556933436 /nfs/dbraw/zinc/93/34/36/556933436.db2.gz GHTHULKFXWJUQG-UHFFFAOYSA-N 0 0 436.577 4.119 40 0 IIABRN O=C(NC1CCCCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861119 556933714 /nfs/dbraw/zinc/93/37/14/556933714.db2.gz DGYKPBLQLGWUTH-SFHVURJKSA-N 0 0 427.010 4.111 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861115 556933749 /nfs/dbraw/zinc/93/37/49/556933749.db2.gz RFMMRBHPTCNBAB-WIYYLYMNSA-N 0 0 449.016 4.019 40 0 IIABRN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000072370274 556934293 /nfs/dbraw/zinc/93/42/93/556934293.db2.gz FGWOEYMHRMMRQH-GOSISDBHSA-N 0 0 428.598 4.391 40 0 IIABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000019867640 556934824 /nfs/dbraw/zinc/93/48/24/556934824.db2.gz KSGTWGJDYVETDP-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000019867636 556934827 /nfs/dbraw/zinc/93/48/27/556934827.db2.gz MGJPKPOUTGSPQK-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN CC(C)CC(=O)N1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370411 556934845 /nfs/dbraw/zinc/93/48/45/556934845.db2.gz LOQAACOKWRKGDG-GOSISDBHSA-N 0 0 428.598 4.343 40 0 IIABRN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)CCCn1ccnc1C ZINC000072370434 556934855 /nfs/dbraw/zinc/93/48/55/556934855.db2.gz GZTKDKOXDVGJMO-SFHVURJKSA-N 0 0 438.597 4.170 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1 ZINC000019867746 556934874 /nfs/dbraw/zinc/93/48/74/556934874.db2.gz RYINBJMWTOYATP-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000019868368 556935185 /nfs/dbraw/zinc/93/51/85/556935185.db2.gz HRQIPMFQESOBJN-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868523 556935215 /nfs/dbraw/zinc/93/52/15/556935215.db2.gz IPHZQYICNHAYLF-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868646 556935371 /nfs/dbraw/zinc/93/53/71/556935371.db2.gz MQJJLAXLTMQYHU-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)c1cnccn1 ZINC000072370647 556935796 /nfs/dbraw/zinc/93/57/96/556935796.db2.gz UMPGYRJGNJWRCG-KRWDZBQOSA-N 0 0 436.581 4.457 40 0 IIABRN O=C(CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000072371242 556937817 /nfs/dbraw/zinc/93/78/17/556937817.db2.gz JOJRYRXINVRWPJ-MRXNPFEDSA-N 0 0 442.922 4.252 40 0 IIABRN Cc1cc(C)nc(N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)n1 ZINC000072371401 556938215 /nfs/dbraw/zinc/93/82/15/556938215.db2.gz YJONQRCTEZLCPZ-INIZCTEOSA-N 0 0 431.462 4.451 40 0 IIABRN CCS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000019886431 556938474 /nfs/dbraw/zinc/93/84/74/556938474.db2.gz NOKJQQFNJWYIEP-UHFFFAOYSA-N 0 0 447.409 4.418 40 0 IIABRN Cc1nc(CC(=O)N2CC[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cs1 ZINC000072371602 556939880 /nfs/dbraw/zinc/93/98/80/556939880.db2.gz HSQRTEPELGMBIA-LJQANCHMSA-N 0 0 438.597 4.478 40 0 IIABRN O=C(COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)Nc1ccccc1 ZINC000409063681 556940640 /nfs/dbraw/zinc/94/06/40/556940640.db2.gz DMYBGRVPPDYOFU-FYJGNVAPSA-N 0 0 447.878 4.455 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372538 556943192 /nfs/dbraw/zinc/94/31/92/556943192.db2.gz KSEBQGUJBIDGMK-QHCPKHFHSA-N 0 0 431.540 4.455 40 0 IIABRN Cc1ccc(C)c(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000409075351 556943553 /nfs/dbraw/zinc/94/35/53/556943553.db2.gz YZUOEVLWCFDSMR-UHFFFAOYSA-N 0 0 426.513 4.272 40 0 IIABRN COc1cccc(OC)c1C(=O)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374192 556947404 /nfs/dbraw/zinc/94/74/04/556947404.db2.gz HPZMJCPKIDGIOL-UHFFFAOYSA-N 0 0 436.487 4.396 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@H]2c2ccc3c(NCc4ccccc4)n[nH]c3n2)c1 ZINC000072374516 556948196 /nfs/dbraw/zinc/94/81/96/556948196.db2.gz LLZLVQWYHDJXEJ-QHCPKHFHSA-N 0 0 441.535 4.485 40 0 IIABRN Cc1ccc(F)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000019931005 556948488 /nfs/dbraw/zinc/94/84/88/556948488.db2.gz MCZSNJARQICSRQ-OAQYLSRUSA-N 0 0 446.931 4.316 40 0 IIABRN COc1ccc(C(C)(C)C(=O)N2CC[C@@H](c3cc(-c4ccc(N)nc4)cc(C)n3)C2)cc1 ZINC000072374725 556948767 /nfs/dbraw/zinc/94/87/67/556948767.db2.gz DJHBLNILMUKGDU-LJQANCHMSA-N 0 0 430.552 4.337 40 0 IIABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000019931430 556948895 /nfs/dbraw/zinc/94/88/95/556948895.db2.gz AKFQUUPFFCHBBE-UGKGYDQZSA-N 0 0 446.613 4.370 40 0 IIABRN CCc1ccc(C2=NN(C(=O)COc3c(C)cc(C)cc3C)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409094014 556949809 /nfs/dbraw/zinc/94/98/09/556949809.db2.gz COOFHZYWEZUAAZ-JOCHJYFZSA-N 0 0 434.458 4.441 40 0 IIABRN CC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1 ZINC000019935267 556950711 /nfs/dbraw/zinc/95/07/11/556950711.db2.gz PYMYDHDMNNAQDB-UHFFFAOYSA-N 0 0 436.961 4.265 40 0 IIABRN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2)n1 ZINC000072375517 556951616 /nfs/dbraw/zinc/95/16/16/556951616.db2.gz CDDIFBJWSAGKDX-IBGZPJMESA-N 0 0 439.466 4.253 40 0 IIABRN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2)n1 ZINC000072375518 556951619 /nfs/dbraw/zinc/95/16/19/556951619.db2.gz CDDIFBJWSAGKDX-LJQANCHMSA-N 0 0 439.466 4.253 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375586 556951877 /nfs/dbraw/zinc/95/18/77/556951877.db2.gz ZQJWSOKRKJDKBN-KRWDZBQOSA-N 0 0 444.582 4.433 40 0 IIABRN CCN(c1ccc(OCC(=O)NC2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937895 556952022 /nfs/dbraw/zinc/95/20/22/556952022.db2.gz GGKNYVRTOJAPCS-UHFFFAOYSA-N 0 0 430.570 4.120 40 0 IIABRN COc1cccc(CN(C)CC(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)c1 ZINC000072375857 556953166 /nfs/dbraw/zinc/95/31/66/556953166.db2.gz USBXASMMNIZZAZ-QHCPKHFHSA-N 0 0 445.567 4.333 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc12 ZINC000019973172 556956353 /nfs/dbraw/zinc/95/63/53/556956353.db2.gz KQGAKBTVZAJBNJ-HSZRJFAPSA-N 0 0 442.567 4.034 40 0 IIABRN O=C(c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccncc1)N1CCOCC1 ZINC000072380159 556957945 /nfs/dbraw/zinc/95/79/45/556957945.db2.gz GMJANQGHWARGSA-LJQANCHMSA-N 0 0 449.576 4.006 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000020004467 556957954 /nfs/dbraw/zinc/95/79/54/556957954.db2.gz BNAUJLOSKXQXNW-QFIPXVFZSA-N 0 0 440.540 4.279 40 0 IIABRN CSc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000020008050 556959083 /nfs/dbraw/zinc/95/90/83/556959083.db2.gz VPXQUXNTKGDVQZ-NRFANRHFSA-N 0 0 444.553 4.076 40 0 IIABRN COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Br ZINC000409107744 556959318 /nfs/dbraw/zinc/95/93/18/556959318.db2.gz QGWHSDIGDSTREC-OVCLIPMQSA-N 0 0 439.668 4.343 40 0 IIABRN COc1ccc(C2(C(=O)N3CCC(n4nc(C5CC5)ccc4=O)CC3)CCCCC2)cc1 ZINC000072389544 556959583 /nfs/dbraw/zinc/95/95/83/556959583.db2.gz ZIJYOEODLFADJL-UHFFFAOYSA-N 0 0 435.568 4.195 40 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557216134 /nfs/dbraw/zinc/21/61/34/557216134.db2.gz LVIQNNDZBYSQTE-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN Cc1cccc(-c2noc(CN(C)C(=O)COc3cc(C)c(Br)c(C)c3)n2)c1 ZINC000218845242 557218409 /nfs/dbraw/zinc/21/84/09/557218409.db2.gz QFSVBEJRNNJIOU-UHFFFAOYSA-N 0 0 444.329 4.462 40 0 IIABRN CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000010382193 557218562 /nfs/dbraw/zinc/21/85/62/557218562.db2.gz CQWBRXWBCDFZFL-UHFFFAOYSA-N 0 0 434.283 4.015 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(C)c(C)c2)cc1 ZINC000010447684 557219378 /nfs/dbraw/zinc/21/93/78/557219378.db2.gz ZTIOADJUIKASOE-UHFFFAOYSA-N 0 0 436.577 4.432 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2cc(C)cc(C)c2)cc1 ZINC000010449082 557219651 /nfs/dbraw/zinc/21/96/51/557219651.db2.gz QWAJFKIRUZEHEV-UHFFFAOYSA-N 0 0 434.561 4.396 40 0 IIABRN Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000218975263 557221488 /nfs/dbraw/zinc/22/14/88/557221488.db2.gz VKQUIJWRDLWFHJ-AWEZNQCLSA-N 0 0 430.302 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CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840449 557392344 /nfs/dbraw/zinc/39/23/44/557392344.db2.gz JLDFJVJUROPVBJ-IBGZPJMESA-N 0 0 430.976 4.231 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(C)c(C)c2)c(Cl)c1 ZINC000222843537 557392900 /nfs/dbraw/zinc/39/29/00/557392900.db2.gz YKIYKSPMQDUOSG-UHFFFAOYSA-N 0 0 438.977 4.077 40 0 IIABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000013842154 557395026 /nfs/dbraw/zinc/39/50/26/557395026.db2.gz WVANPGAKKZTUCO-UHFFFAOYSA-N 0 0 439.566 4.297 40 0 IIABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2CC)cc1 ZINC000013842252 557395069 /nfs/dbraw/zinc/39/50/69/557395069.db2.gz JMSGWWCIMGABLI-UHFFFAOYSA-N 0 0 426.542 4.179 40 0 IIABRN CC[C@H](C(=O)NCc1cccc2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222866073 557395772 /nfs/dbraw/zinc/39/57/72/557395772.db2.gz CEIHDIMRJVQRFO-OAQYLSRUSA-N 0 0 430.957 4.354 40 0 IIABRN CC[C@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222866364 557395826 /nfs/dbraw/zinc/39/58/26/557395826.db2.gz UOOFLMKEOBMNAK-OAQYLSRUSA-N 0 0 430.957 4.354 40 0 IIABRN CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222881801 557397452 /nfs/dbraw/zinc/39/74/52/557397452.db2.gz VJDZBIVEROAAGP-KRWDZBQOSA-N 0 0 434.939 4.438 40 0 IIABRN CCOc1ccc(N([C@@H](CC)C(=O)NCc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000222884881 557398000 /nfs/dbraw/zinc/39/80/00/557398000.db2.gz SKWPPPIUSNWCJZ-QHCPKHFHSA-N 0 0 440.565 4.100 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)ccc1C ZINC000222886499 557398241 /nfs/dbraw/zinc/39/82/41/557398241.db2.gz WOHIRYJJFZNAEM-QFIPXVFZSA-N 0 0 426.557 4.023 40 0 IIABRN COc1cc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1O ZINC000013995251 557401421 /nfs/dbraw/zinc/40/14/21/557401421.db2.gz NENJKUDNPBSWCF-XCLFUZPHSA-N 0 0 425.510 4.067 40 0 IIABRN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000013999543 557402954 /nfs/dbraw/zinc/40/29/54/557402954.db2.gz OKVWEJZKJBVYBT-QAPCUYQASA-N 0 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CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223025258 557416980 /nfs/dbraw/zinc/41/69/80/557416980.db2.gz PDFKWBYBPPCMMQ-QGZVFWFLSA-N 0 0 445.401 4.498 40 0 IIABRN COc1cccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)c1OC ZINC000014000813 557417258 /nfs/dbraw/zinc/41/72/58/557417258.db2.gz NXIZYDFCNNSJDJ-HNNXBMFYSA-N 0 0 428.286 4.126 40 0 IIABRN CC[C@H](C)NC(=O)Cn1c2ccc(F)cc2c2ncn(C[C@@H](C)c3ccccc3)c(=O)c21 ZINC000014000761 557417285 /nfs/dbraw/zinc/41/72/85/557417285.db2.gz MPSWTSZOUOCGKU-SJORKVTESA-N 0 0 434.515 4.209 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000223027179 557417270 /nfs/dbraw/zinc/41/72/70/557417270.db2.gz AMZTXUGKIONQHX-SJORKVTESA-N 0 0 432.948 4.059 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000223033640 557418733 /nfs/dbraw/zinc/41/87/33/557418733.db2.gz MQOSJXXQBDOHNW-VBKZILBWSA-N 0 0 440.968 4.464 40 0 IIABRN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cc(Cl)ccc1OC ZINC000014084737 557418870 /nfs/dbraw/zinc/41/88/70/557418870.db2.gz UYDKJNZZOUITGI-UHFFFAOYSA-N 0 0 432.933 4.366 40 0 IIABRN Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014087536 557419005 /nfs/dbraw/zinc/41/90/05/557419005.db2.gz WMVJUZINUOLEFG-UHFFFAOYSA-N 0 0 437.550 4.248 40 0 IIABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014019534 557419511 /nfs/dbraw/zinc/41/95/11/557419511.db2.gz XLUOBAGFSHDEHQ-GFCCVEGCSA-N 0 0 431.316 4.172 40 0 IIABRN CCOc1ccccc1NC(=O)CSc1nnc(COc2cc(C)ccc2C)n1C ZINC000014117182 557420572 /nfs/dbraw/zinc/42/05/72/557420572.db2.gz GMTZMYNRUDSNFK-UHFFFAOYSA-N 0 0 426.542 4.140 40 0 IIABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccccc1OC ZINC000014126548 557421004 /nfs/dbraw/zinc/42/10/04/557421004.db2.gz AIWUFGMEPSXFJD-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)c1C ZINC000014126343 557421010 /nfs/dbraw/zinc/42/10/10/557421010.db2.gz VEOSPQWGDIBMEU-UHFFFAOYSA-N 0 0 439.566 4.351 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2cccc(C)c2C)n1C ZINC000014126324 557421032 /nfs/dbraw/zinc/42/10/32/557421032.db2.gz KZJZZBODSQVJDS-UHFFFAOYSA-N 0 0 446.960 4.404 40 0 IIABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1OC ZINC000223052711 557422125 /nfs/dbraw/zinc/42/21/25/557422125.db2.gz GGPYPDQSXSOEQB-XMMPIXPASA-N 0 0 430.548 4.362 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223077203 557426873 /nfs/dbraw/zinc/42/68/73/557426873.db2.gz HFJAOSKNWAQPDM-SJORKVTESA-N 0 0 444.959 4.333 40 0 IIABRN COc1ccc(CN(C(=O)CCCOc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223080506 557427690 /nfs/dbraw/zinc/42/76/90/557427690.db2.gz SMQSJYWNVXXEDG-FQEVSTJZSA-N 0 0 440.584 4.495 40 0 IIABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000223080263 557427728 /nfs/dbraw/zinc/42/77/28/557427728.db2.gz GTTDHKHCORFIHC-JOCHJYFZSA-N 0 0 444.597 4.142 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(OC)cc1 ZINC000223089700 557429726 /nfs/dbraw/zinc/42/97/26/557429726.db2.gz INTHUYSXKQRDBG-ZWKOTPCHSA-N 0 0 446.588 4.400 40 0 IIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1 ZINC000223091141 557430074 /nfs/dbraw/zinc/43/00/74/557430074.db2.gz IUORQJVFAJEZTP-FQEVSTJZSA-N 0 0 428.554 4.174 40 0 IIABRN CCOc1ccc(C(=O)Nc2ccc(I)cn2)cc1Br ZINC000014272418 557431924 /nfs/dbraw/zinc/43/19/24/557431924.db2.gz KOVAVNBKOKEWKK-UHFFFAOYSA-N 0 0 447.070 4.100 40 0 IIABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223109126 557432714 /nfs/dbraw/zinc/43/27/14/557432714.db2.gz WZOSBLATRIBIQY-OAQYLSRUSA-N 0 0 434.989 4.107 40 0 IIABRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2Cl)CC1 ZINC000014273446 557433053 /nfs/dbraw/zinc/43/30/53/557433053.db2.gz GQQYAVFEQDFXHP-UHFFFAOYSA-N 0 0 443.975 4.423 40 0 IIABRN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000014796569 557433753 /nfs/dbraw/zinc/43/37/53/557433753.db2.gz DWFGPHPJZMCVPO-UHFFFAOYSA-N 0 0 435.749 4.271 40 0 IIABRN COc1ccc(C(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000223123653 557435021 /nfs/dbraw/zinc/43/50/21/557435021.db2.gz IULPRVYVGCXCBT-UHFFFAOYSA-N 0 0 428.532 4.453 40 0 IIABRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccc2c(c1)CCCC2 ZINC000223130563 557436292 /nfs/dbraw/zinc/43/62/92/557436292.db2.gz SPWWKMSEOXBTTH-HSZRJFAPSA-N 0 0 426.582 4.294 40 0 IIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 ZINC000223142243 557438352 /nfs/dbraw/zinc/43/83/52/557438352.db2.gz IWLLCEBJMOMZRH-DLBZAZTESA-N 0 0 447.373 4.160 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223170614 557441332 /nfs/dbraw/zinc/44/13/32/557441332.db2.gz RJOICZHUAAKOLN-NRFANRHFSA-N 0 0 440.584 4.359 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223180445 557442461 /nfs/dbraw/zinc/44/24/61/557442461.db2.gz CQTFJZGXIRPLPN-OAQYLSRUSA-N 0 0 432.948 4.061 40 0 IIABRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCC2 ZINC000223188561 557443408 /nfs/dbraw/zinc/44/34/08/557443408.db2.gz PTFASOFYJAFAQZ-HNNXBMFYSA-N 0 0 432.973 4.104 40 0 IIABRN O=C(Nc1cccc(C(=O)Nn2cnnc2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000014405856 557443595 /nfs/dbraw/zinc/44/35/95/557443595.db2.gz PPRTZBZKEGKMBI-UHFFFAOYSA-N 0 0 432.292 4.436 40 0 IIABRN COc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014413441 557445152 /nfs/dbraw/zinc/44/51/52/557445152.db2.gz XWIRERHDRQWNQN-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(CC)cc1)S(C)(=O)=O ZINC000223199600 557445239 /nfs/dbraw/zinc/44/52/39/557445239.db2.gz KJNAMKGWRPFBPA-SFHVURJKSA-N 0 0 432.586 4.071 40 0 IIABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N=C(Nc2cccc(C(F)(F)F)c2)N1 ZINC000014607665 557447815 /nfs/dbraw/zinc/44/78/15/557447815.db2.gz BYWCCEWVPWFIQA-CQSZACIVSA-N 0 0 444.335 4.019 40 0 IIABRN COCc1nn2c(nnc3c2C[C@H](C=Cc2ccccc2)CC3=O)c1-c1ccc(OC)cc1 ZINC000014607769 557448067 /nfs/dbraw/zinc/44/80/67/557448067.db2.gz OZAQVYQVBNWZIF-BLGFXRMMSA-N 0 0 440.503 4.405 40 0 IIABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)CSc2ncccn2)cc1 ZINC000014608012 557448084 /nfs/dbraw/zinc/44/80/84/557448084.db2.gz GOZRQWXUUNOUFX-OAQYLSRUSA-N 0 0 431.521 4.314 40 0 IIABRN C[C@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc4c(c3)OCCO4)c3cccc1c32 ZINC000014671826 557449049 /nfs/dbraw/zinc/44/90/49/557449049.db2.gz ZKRMYSWKIVRADP-BSEYFRJRSA-N 0 0 436.533 4.023 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1F ZINC000223267808 557453356 /nfs/dbraw/zinc/45/33/56/557453356.db2.gz VTLYCSMMGXUIIO-XMMPIXPASA-N 0 0 448.538 4.289 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](CC)C(=O)NC)cc1 ZINC000223272575 557454360 /nfs/dbraw/zinc/45/43/60/557454360.db2.gz PTLHZQQASYZWED-FQEVSTJZSA-N 0 0 437.367 4.488 40 0 IIABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223298426 557456787 /nfs/dbraw/zinc/45/67/87/557456787.db2.gz ULQXSUPIAIOBRZ-RBUKOAKNSA-N 0 0 446.613 4.467 40 0 IIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccnc1 ZINC000223300219 557457039 /nfs/dbraw/zinc/45/70/39/557457039.db2.gz CVKJWKOEESEKHV-VJBMBRPKSA-N 0 0 433.581 4.036 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000223343878 557460625 /nfs/dbraw/zinc/46/06/25/557460625.db2.gz UOTRMLIMFJFXOA-KRWDZBQOSA-N 0 0 430.570 4.002 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1NC(C)=O ZINC000223373679 557463934 /nfs/dbraw/zinc/46/39/34/557463934.db2.gz HMXZIKUXTHFIFX-OAHLLOKOSA-N 0 0 434.558 4.134 40 0 IIABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc21 ZINC000223378898 557465072 /nfs/dbraw/zinc/46/50/72/557465072.db2.gz JWLVXBADTMQDJL-UHFFFAOYSA-N 0 0 446.450 4.498 40 0 IIABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc21 ZINC000223378981 557465108 /nfs/dbraw/zinc/46/51/08/557465108.db2.gz ZFDODOUCOBZMRU-UHFFFAOYSA-N 0 0 446.450 4.498 40 0 IIABRN CSc1cccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)c1 ZINC000223405319 557467593 /nfs/dbraw/zinc/46/75/93/557467593.db2.gz JDYVGAHAPNSAOL-UHFFFAOYSA-N 0 0 430.551 4.383 40 0 IIABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c(OC)c1 ZINC000015936179 557467626 /nfs/dbraw/zinc/46/76/26/557467626.db2.gz WLBJDVIZNGIIPI-QHCPKHFHSA-N 0 0 449.507 4.139 40 0 IIABRN Cc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)N1CCCCC1 ZINC000016027652 557469083 /nfs/dbraw/zinc/46/90/83/557469083.db2.gz IGMPBLKDIYVAPC-UHFFFAOYSA-N 0 0 437.359 4.184 40 0 IIABRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1ccc(I)cc1 ZINC000033627962 557469128 /nfs/dbraw/zinc/46/91/28/557469128.db2.gz NDPZCMIRCUCWLW-UHFFFAOYSA-N 0 0 448.285 4.277 40 0 IIABRN COC(=O)c1ccc(NCCCOC(C)C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223416707 557469494 /nfs/dbraw/zinc/46/94/94/557469494.db2.gz JCVQLTZEYDYOQL-UHFFFAOYSA-N 0 0 440.949 4.154 40 0 IIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000223416277 557469542 /nfs/dbraw/zinc/46/95/42/557469542.db2.gz ZSOSHZKFVVSAEG-NKKJXINNSA-N 0 0 448.592 4.243 40 0 IIABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1Cl ZINC000223418605 557469706 /nfs/dbraw/zinc/46/97/06/557469706.db2.gz LKBRJWVXMHNXEA-HXUWFJFHSA-N 0 0 434.989 4.135 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000223423466 557470421 /nfs/dbraw/zinc/47/04/21/557470421.db2.gz BCMVRDZIDQKVBA-OAHLLOKOSA-N 0 0 426.941 4.048 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000223423526 557470435 /nfs/dbraw/zinc/47/04/35/557470435.db2.gz BCMVRDZIDQKVBA-HNNXBMFYSA-N 0 0 426.941 4.048 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223423473 557470560 /nfs/dbraw/zinc/47/05/60/557470560.db2.gz PMTLTBRUTIAXDZ-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000223427112 557471017 /nfs/dbraw/zinc/47/10/17/557471017.db2.gz SFUVRWYIDBHEPT-ZHZULCJRSA-N 0 0 444.516 4.194 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223441810 557472475 /nfs/dbraw/zinc/47/24/75/557472475.db2.gz TXVMDNMAMVKBHO-SFHVURJKSA-N 0 0 438.549 4.320 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223441754 557472571 /nfs/dbraw/zinc/47/25/71/557472571.db2.gz TXVMDNMAMVKBHO-GOSISDBHSA-N 0 0 438.549 4.320 40 0 IIABRN Cc1ccc(CN(c2ccc(C(=O)NCCSC3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000223440906 557472585 /nfs/dbraw/zinc/47/25/85/557472585.db2.gz STIKXMBMMHNZMQ-UHFFFAOYSA-N 0 0 446.638 4.367 40 0 IIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccnc1 ZINC000223452416 557473457 /nfs/dbraw/zinc/47/34/57/557473457.db2.gz LCQSHEZFPFYZJJ-ZEQRLZLVSA-N 0 0 440.576 4.452 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223457745 557474448 /nfs/dbraw/zinc/47/44/48/557474448.db2.gz WNIOVWAVNHUWKQ-SFHVURJKSA-N 0 0 446.975 4.369 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223458449 557474709 /nfs/dbraw/zinc/47/47/09/557474709.db2.gz CRJXTIPFDFRGAZ-NRFANRHFSA-N 0 0 440.584 4.333 40 0 IIABRN COc1cccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000223486141 557478124 /nfs/dbraw/zinc/47/81/24/557478124.db2.gz KTFDXRZSUIDLSB-UHFFFAOYSA-N 0 0 432.586 4.222 40 0 IIABRN O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223494334 557479232 /nfs/dbraw/zinc/47/92/32/557479232.db2.gz WXYLHKWJGMZJBG-SANMLTNESA-N 0 0 448.538 4.027 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1C ZINC000223512941 557481100 /nfs/dbraw/zinc/48/11/00/557481100.db2.gz SOLAFYWKIOXIMS-HXUWFJFHSA-N 0 0 426.557 4.024 40 0 IIABRN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000017098507 557481185 /nfs/dbraw/zinc/48/11/85/557481185.db2.gz KKWQHSHRPNQRSW-UHFFFAOYSA-N 0 0 433.533 4.068 40 0 IIABRN O=C(Cc1ccccc1)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000017098677 557481654 /nfs/dbraw/zinc/48/16/54/557481654.db2.gz XPHXKACIVWQIGJ-UHFFFAOYSA-N 0 0 433.939 4.484 40 0 IIABRN NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017098739 557481879 /nfs/dbraw/zinc/48/18/79/557481879.db2.gz YKVPNWJRXTXPPT-UHFFFAOYSA-N 0 0 434.304 4.479 40 0 IIABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)n2)cc1 ZINC000223525124 557482122 /nfs/dbraw/zinc/48/21/22/557482122.db2.gz MLNUBOUCMJQUCP-UHFFFAOYSA-N 0 0 445.541 4.006 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223542772 557483508 /nfs/dbraw/zinc/48/35/08/557483508.db2.gz ZXCHMBPJYJNXGI-UHFFFAOYSA-N 0 0 438.549 4.284 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223551764 557484939 /nfs/dbraw/zinc/48/49/39/557484939.db2.gz QLUHVRRLMZAWHH-RUZDIDTESA-N 0 0 431.536 4.277 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 ZINC000223556223 557485387 /nfs/dbraw/zinc/48/53/87/557485387.db2.gz HHMJCPYLYWHQIE-XMMPIXPASA-N 0 0 431.536 4.133 40 0 IIABRN CC(C)CC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000017096098 557487825 /nfs/dbraw/zinc/48/78/25/557487825.db2.gz GGVWBHQIZGVJES-UHFFFAOYSA-N 0 0 428.577 4.007 40 0 IIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)c(F)c1F ZINC000017096411 557488768 /nfs/dbraw/zinc/48/87/68/557488768.db2.gz WNFPKYAHIHYNSP-UHFFFAOYSA-N 0 0 429.420 4.297 40 0 IIABRN COc1cc(CN(C(=O)c2cc3ccccc3o2)C2CCCCC2)ccc1OCC(N)=O ZINC000017100247 557488785 /nfs/dbraw/zinc/48/87/85/557488785.db2.gz APVWSFHIMYXQMN-UHFFFAOYSA-N 0 0 436.508 4.281 40 0 IIABRN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000017103008 557491486 /nfs/dbraw/zinc/49/14/86/557491486.db2.gz MQTNUQJXVIRUEL-UHFFFAOYSA-N 0 0 438.984 4.372 40 0 IIABRN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223612487 557491842 /nfs/dbraw/zinc/49/18/42/557491842.db2.gz GIUPLGOVNSTQQQ-NHCUHLMSSA-N 0 0 425.579 4.489 40 0 IIABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223625577 557493498 /nfs/dbraw/zinc/49/34/98/557493498.db2.gz JXOPYDQAHRCEMW-VQTJNVASSA-N 0 0 446.498 4.246 40 0 IIABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223629289 557494014 /nfs/dbraw/zinc/49/40/14/557494014.db2.gz LCYDPGNWTZVDIK-BJKOFHAPSA-N 0 0 428.561 4.380 40 0 IIABRN COCCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cc2ccccc2cc1O ZINC000017953162 557495724 /nfs/dbraw/zinc/49/57/24/557495724.db2.gz SWVYLRRYUDWUCX-UHFFFAOYSA-N 0 0 442.585 4.188 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000223649688 557497089 /nfs/dbraw/zinc/49/70/89/557497089.db2.gz MZUZTFNNUDWXJN-BJKOFHAPSA-N 0 0 448.592 4.084 40 0 IIABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223654390 557497706 /nfs/dbraw/zinc/49/77/06/557497706.db2.gz VJXTYSROXRRVAI-UHFFFAOYSA-N 0 0 432.716 4.316 40 0 IIABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(C)Cc3ccccc3)cc2c1 ZINC000019522944 557501409 /nfs/dbraw/zinc/50/14/09/557501409.db2.gz PNMGTEMYGIYVJO-XMMPIXPASA-N 0 0 442.567 4.414 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223685706 557502034 /nfs/dbraw/zinc/50/20/34/557502034.db2.gz WCGOCWIGIMDCHM-FGZHOGPDSA-N 0 0 426.586 4.151 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223685621 557502074 /nfs/dbraw/zinc/50/20/74/557502074.db2.gz WCGOCWIGIMDCHM-YADHBBJMSA-N 0 0 426.586 4.151 40 0 IIABRN COc1cc(NC(=O)c2ccc(Br)o2)ccc1N1C(=O)c2ccccc2C1=O ZINC000019633115 557502307 /nfs/dbraw/zinc/50/23/07/557502307.db2.gz GDZKDTOWONHWEF-UHFFFAOYSA-N 0 0 441.237 4.104 40 0 IIABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(C)c3OC)cc2s1 ZINC000019636752 557503049 /nfs/dbraw/zinc/50/30/49/557503049.db2.gz PDONAZVXPIGIKG-UHFFFAOYSA-N 0 0 442.566 4.479 40 0 IIABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000223707043 557504439 /nfs/dbraw/zinc/50/44/39/557504439.db2.gz IGRDUQWXTSGIRS-NRFANRHFSA-N 0 0 446.613 4.032 40 0 IIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223718766 557505776 /nfs/dbraw/zinc/50/57/76/557505776.db2.gz JDVIMYQXWZZVHY-LJQANCHMSA-N 0 0 432.586 4.223 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C ZINC000223730319 557506931 /nfs/dbraw/zinc/50/69/31/557506931.db2.gz IJUVULWYHDXQCD-PKTZIBPZSA-N 0 0 434.565 4.106 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000223731871 557506965 /nfs/dbraw/zinc/50/69/65/557506965.db2.gz DVEKYHMUUBFTIQ-RUZDIDTESA-N 0 0 430.548 4.014 40 0 IIABRN COc1ccccc1C(=O)NC(=S)Nc1cc(C)c(I)cc1C ZINC000019631172 557507054 /nfs/dbraw/zinc/50/70/54/557507054.db2.gz BKTISGMXQGOJGE-UHFFFAOYSA-N 0 0 440.306 4.043 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223735967 557507377 /nfs/dbraw/zinc/50/73/77/557507377.db2.gz HOPNZXOMQFUHNN-FCHUYYIVSA-N 0 0 439.512 4.406 40 0 IIABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 ZINC000223747363 557508617 /nfs/dbraw/zinc/50/86/17/557508617.db2.gz PNWHKUVVLDGGKM-GOTSBHOMSA-N 0 0 427.533 4.453 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223749024 557508931 /nfs/dbraw/zinc/50/89/31/557508931.db2.gz 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442.608 4.329 40 0 IIABRN C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccc(F)cc2)n1 ZINC000225949335 557796098 /nfs/dbraw/zinc/79/60/98/557796098.db2.gz IFBGVHRNPRRAAJ-GFCCVEGCSA-N 0 0 427.471 4.500 40 0 IIABRN COc1ccc([C@@H](CC(=O)Nc2ccccc2Oc2ccccc2)NS(C)(=O)=O)cc1 ZINC000225957435 557797073 /nfs/dbraw/zinc/79/70/73/557797073.db2.gz OECVZVDPKCILFW-OAQYLSRUSA-N 0 0 440.521 4.107 40 0 IIABRN Fc1ccc(CCCNC(=S)Nc2nc(N3CCCC3)cc(C(F)(F)F)n2)cc1 ZINC000225969499 557797910 /nfs/dbraw/zinc/79/79/10/557797910.db2.gz YHTCZTKUUSCADG-UHFFFAOYSA-N 0 0 427.471 4.154 40 0 IIABRN CCOc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000225984439 557799150 /nfs/dbraw/zinc/79/91/50/557799150.db2.gz LTQFEFVFRBCKQN-UHFFFAOYSA-N 0 0 438.549 4.400 40 0 IIABRN Cc1ccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000226008786 557800542 /nfs/dbraw/zinc/80/05/42/557800542.db2.gz TZLNBJPKGOKJNC-UHFFFAOYSA-N 0 0 432.561 4.429 40 0 IIABRN C[C@H]1CCCCN1c1cc(Sc2ncccn2)nc(NC(=S)NC2CCCCC2)n1 ZINC000226008711 557800550 /nfs/dbraw/zinc/80/05/50/557800550.db2.gz JPGXQECPCFMYEW-HNNXBMFYSA-N 0 0 443.646 4.416 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)Cc2cccc(C)c2)cc1 ZINC000226031257 557801706 /nfs/dbraw/zinc/80/17/06/557801706.db2.gz HOPSONBXXITNEU-NRFANRHFSA-N 0 0 448.588 4.472 40 0 IIABRN COc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)c(OC)c3)C(=O)O2)c1 ZINC000033315530 557807150 /nfs/dbraw/zinc/80/71/50/557807150.db2.gz JIQDQUDSWQFOCS-MOSHPQCFSA-N 0 0 429.428 4.268 40 0 IIABRN COC(=O)C1C(c2ccc(Cl)cc2)=Nc2ncnn2[C@@H]1c1ccc(Br)cc1 ZINC000059227885 557818810 /nfs/dbraw/zinc/81/88/10/557818810.db2.gz AODRGYLTRWZYHC-QGZVFWFLSA-N 0 0 445.704 4.293 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)Cc2ccccc2)cc1 ZINC000059444126 557820972 /nfs/dbraw/zinc/82/09/72/557820972.db2.gz UEOSGRDXRXPZHS-UHFFFAOYSA-N 0 0 428.941 4.478 40 0 IIABRN Fc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000059402167 557822603 /nfs/dbraw/zinc/82/26/03/557822603.db2.gz XZKBAIGDVBKDCM-FCHUYYIVSA-N 0 0 425.508 4.291 40 0 IIABRN C[C@H](CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000059475240 557824672 /nfs/dbraw/zinc/82/46/72/557824672.db2.gz OFQMLQJFGORKOH-GOSISDBHSA-N 0 0 442.968 4.455 40 0 IIABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000059475242 557824680 /nfs/dbraw/zinc/82/46/80/557824680.db2.gz TXVKIXVDQBUQHO-UHFFFAOYSA-N 0 0 446.931 4.033 40 0 IIABRN O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000059517109 557827292 /nfs/dbraw/zinc/82/72/92/557827292.db2.gz RVTCSMKJHMLOBW-NSHDSACASA-N 0 0 438.119 4.203 40 0 IIABRN CCOc1cc(C)ccc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000231423813 557835809 /nfs/dbraw/zinc/83/58/09/557835809.db2.gz SHYZDNRBSAWTDU-UHFFFAOYSA-N 0 0 429.369 4.211 40 0 IIABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000095202045 557836928 /nfs/dbraw/zinc/83/69/28/557836928.db2.gz TUMVUIMFPYEELQ-FQEVSTJZSA-N 0 0 434.544 4.325 40 0 IIABRN Nn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1Cl ZINC000096299474 557838203 /nfs/dbraw/zinc/83/82/03/557838203.db2.gz DQQLLUFNFUDBCW-UHFFFAOYSA-N 0 0 442.957 4.167 40 0 IIABRN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000245241276 557850005 /nfs/dbraw/zinc/85/00/05/557850005.db2.gz ZUFRJXYMPGMUGG-XEOYUCRESA-N 0 0 432.557 4.032 40 0 IIABRN CC1CCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCc3ccccc3)n2)CC1 ZINC000260714992 557850298 /nfs/dbraw/zinc/85/02/98/557850298.db2.gz LFHZDISWWUMCLQ-IBGZPJMESA-N 0 0 438.645 4.436 40 0 IIABRN Cc1ccc(CNC(=S)Nc2nc(N3CCC(C)CC3)cc(N3CCC[C@H](C)C3)n2)o1 ZINC000260715245 557850351 /nfs/dbraw/zinc/85/03/51/557850351.db2.gz MPBMMPHDTJRPKA-KRWDZBQOSA-N 0 0 442.633 4.337 40 0 IIABRN C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC[C@H]2CCCO2)n1 ZINC000260723265 557850696 /nfs/dbraw/zinc/85/06/96/557850696.db2.gz XMXURHYLTXLCQN-FUHWJXTLSA-N 0 0 427.574 4.113 40 0 IIABRN COc1cc(Br)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1OC ZINC000260769082 557853552 /nfs/dbraw/zinc/85/35/52/557853552.db2.gz KDSPSWGODBGXQA-SSKCKEOISA-N 0 0 434.359 4.451 40 0 IIABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000260762011 557853677 /nfs/dbraw/zinc/85/36/77/557853677.db2.gz FWQCIDDWYSIMJM-HNAYVOBHSA-N 0 0 438.977 4.079 40 0 IIABRN CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000260772338 557854981 /nfs/dbraw/zinc/85/49/81/557854981.db2.gz XCLPLVDMYMXWMC-CABCVRRESA-N 0 0 442.503 4.300 40 0 IIABRN Cc1cc(C)cc(N(CC(=O)NC[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000260793268 557856154 /nfs/dbraw/zinc/85/61/54/557856154.db2.gz MLEVIPARTXQALG-NRFANRHFSA-N 0 0 436.577 4.419 40 0 IIABRN CCc1ccccc1N(CC(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000260796057 557856324 /nfs/dbraw/zinc/85/63/24/557856324.db2.gz RJEJIMZGHZGEBI-FQEVSTJZSA-N 0 0 436.577 4.364 40 0 IIABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 ZINC000260795908 557856337 /nfs/dbraw/zinc/85/63/37/557856337.db2.gz MTASCUPMCGRBGM-OXJNMPFZSA-N 0 0 448.560 4.179 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000260825769 557858243 /nfs/dbraw/zinc/85/82/43/557858243.db2.gz JXJCJKQSNUKYLW-OAQYLSRUSA-N 0 0 448.588 4.206 40 0 IIABRN CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000260836523 557860079 /nfs/dbraw/zinc/86/00/79/557860079.db2.gz QLSJLIBGUHDXSS-HSZRJFAPSA-N 0 0 440.565 4.100 40 0 IIABRN Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1C ZINC000260840457 557861010 /nfs/dbraw/zinc/86/10/10/557861010.db2.gz VFKZRRAXZBJKQE-RBUKOAKNSA-N 0 0 428.598 4.214 40 0 IIABRN Cc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)c(I)c1 ZINC000260842590 557861320 /nfs/dbraw/zinc/86/13/20/557861320.db2.gz FTAUMVGONBVDEG-OAHLLOKOSA-N 0 0 434.321 4.171 40 0 IIABRN COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675812 560094909 /nfs/dbraw/zinc/09/49/09/560094909.db2.gz UYILZCZEUNMQRO-FQEVSTJZSA-N 0 0 430.468 4.108 40 0 biogenic,in-vitro IIABRN Cc1cccc(C2=NCC(=O)N(CC(=O)NCc3ccco3)c3sc4c(c32)CCCC4)c1 ZINC000004355970 562943148 /nfs/dbraw/zinc/94/31/48/562943148.db2.gz LVDCHXWLCCUJQM-UHFFFAOYSA-N 0 0 447.560 4.029 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC3CCCCC3)cc2c1 ZINC000000879509 568620477 /nfs/dbraw/zinc/62/04/77/568620477.db2.gz IFCNGXMZMGFHOQ-NRFANRHFSA-N 0 0 443.613 4.115 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 ZINC000222540792 568626499 /nfs/dbraw/zinc/62/64/99/568626499.db2.gz QKRZAOVWFYKXMI-VWLOTQADSA-N 0 0 432.539 4.371 40 0 IIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOCC ZINC000223199423 568626649 /nfs/dbraw/zinc/62/66/49/568626649.db2.gz POPZQRMNQAOALJ-QHCPKHFHSA-N 0 0 428.548 4.109 40 0 IIABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@H]1CCCO1 ZINC000260914914 568628637 /nfs/dbraw/zinc/62/86/37/568628637.db2.gz HUZRQBMJFPSTBG-MQNAVGNWSA-N 0 0 434.565 4.032 40 0 IIABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000260932767 568630950 /nfs/dbraw/zinc/63/09/50/568630950.db2.gz MXHBJKIOCWZBCU-JKSUJKDBSA-N 0 0 434.989 4.169 40 0 IIABRN NC(=O)c1cc2ccc(OC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)cc2oc1=O ZINC000000941597 568641595 /nfs/dbraw/zinc/64/15/95/568641595.db2.gz MZDUPGKSVQIISY-MDWZMJQESA-N 0 0 441.439 4.090 40 0 IIABRN CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253597086 568643871 /nfs/dbraw/zinc/64/38/71/568643871.db2.gz ZUFRJXYMPGMUGG-UAMDRWIMSA-N 0 0 432.557 4.032 40 0 IIABRN Cc1ccsc1CN1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257201781 568666172 /nfs/dbraw/zinc/66/61/72/568666172.db2.gz AJASLVMRGAKAPB-OAQYLSRUSA-N 0 0 437.613 4.264 40 0 IIABRN COCCC(=O)N[C@]1(C)C[C@H](c2cccc(Oc3ncccn3)c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257202652 568666432 /nfs/dbraw/zinc/66/64/32/568666432.db2.gz AMSWDXUZQKGPQS-MBICXCLHSA-N 0 0 439.556 4.447 40 0 IIABRN COc1ccc(C2(C(=O)N3CCC[C@@H]3c3ccc(CNC(C)=O)cn3)CCCCC2)cc1 ZINC000257203803 568666900 /nfs/dbraw/zinc/66/69/00/568666900.db2.gz ARRGYJHILZCWHQ-XMMPIXPASA-N 0 0 435.568 4.292 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCOC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257209461 568669352 /nfs/dbraw/zinc/66/93/52/568669352.db2.gz BQMFODAEJYESJO-JOCHJYFZSA-N 0 0 440.547 4.119 40 0 IIABRN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)COc4ccc(F)cc4F)C3)o2)c1 ZINC000257212578 568671163 /nfs/dbraw/zinc/67/11/63/568671163.db2.gz CEAMRULPILXJCI-QGZVFWFLSA-N 0 0 442.462 4.337 40 0 IIABRN Cc1ccc(C(=O)N2CC[C@]3(C2)CN(c2ccccc2)C(=O)O3)cc1NCc1cccnc1 ZINC000257217960 568673305 /nfs/dbraw/zinc/67/33/05/568673305.db2.gz DBHVFKGAQUZFRW-SANMLTNESA-N 0 0 442.519 4.244 40 0 IIABRN O=C(CN1CCO[C@@H](c2ccc(Cc3ccccc3)cn2)C1)N1CCCc2ccccc21 ZINC000257226495 568677159 /nfs/dbraw/zinc/67/71/59/568677159.db2.gz FKVSIEIBQCOUKH-AREMUKBSSA-N 0 0 427.548 4.025 40 0 IIABRN CC(C)C[C@]1(O)CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257226374 568677388 /nfs/dbraw/zinc/67/73/88/568677388.db2.gz FKJWYKTWKOMPKI-UKILVPOCSA-N 0 0 437.515 4.287 40 0 IIABRN 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ZINC000257245346 568686489 /nfs/dbraw/zinc/68/64/89/568686489.db2.gz IPBLSJXDQVRAOL-UHFFFAOYSA-N 0 0 433.577 4.411 40 0 IIABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCOC[C@H](Cc4ccc5ncccc5c4)C3)c2)n1 ZINC000257247657 568687224 /nfs/dbraw/zinc/68/72/24/568687224.db2.gz IZYXUCXCLPBRPC-JOCHJYFZSA-N 0 0 440.547 4.369 40 0 IIABRN CCc1nnc(Nc2cccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257248839 568687785 /nfs/dbraw/zinc/68/77/85/568687785.db2.gz JFLHKULWUIAYNC-FQEVSTJZSA-N 0 0 432.553 4.361 40 0 IIABRN Cc1cnc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)c2)s1 ZINC000257251151 568688970 /nfs/dbraw/zinc/68/89/70/568688970.db2.gz JPPXHJRAPQOTJC-FQEVSTJZSA-N 0 0 448.552 4.068 40 0 IIABRN O=C(COc1ccc(F)cc1F)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257253990 568690317 /nfs/dbraw/zinc/69/03/17/568690317.db2.gz KBDMTXLVRBHEJM-INIZCTEOSA-N 0 0 430.426 4.468 40 0 IIABRN CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CCN(Cc2cn(C)cn2)CC1 ZINC000257254014 568690401 /nfs/dbraw/zinc/69/04/01/568690401.db2.gz 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IIABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CN(Cc3ccnc4ccccc34)CCO2)n1 ZINC000019692667 569326403 /nfs/dbraw/zinc/32/64/03/569326403.db2.gz TXGYLNIWDVHEHN-XMMPIXPASA-N 0 0 443.526 4.470 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)c1 ZINC000019690439 569326466 /nfs/dbraw/zinc/32/64/66/569326466.db2.gz STLIFEMDKBMWJI-QFIPXVFZSA-N 0 0 432.524 4.204 40 0 IIABRN COc1cccc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1 ZINC000019694554 569326638 /nfs/dbraw/zinc/32/66/38/569326638.db2.gz DYTMAVXOJMQYNI-FQEVSTJZSA-N 0 0 448.542 4.306 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)Cc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019696188 569326759 /nfs/dbraw/zinc/32/67/59/569326759.db2.gz NRQJZJGRLCOJJA-HSZRJFAPSA-N 0 0 440.547 4.171 40 0 IIABRN CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)c2c(C)noc2C)CC1 ZINC000019700075 569327103 /nfs/dbraw/zinc/32/71/03/569327103.db2.gz XKIDTSMVAIKNKU-UHFFFAOYSA-N 0 0 449.526 4.309 40 0 IIABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3cccc(-c4nc[nH]n4)c3)c2)C1 ZINC000019712236 569327699 /nfs/dbraw/zinc/32/76/99/569327699.db2.gz WWFPCZWQHHGAPB-ZLNRFVROSA-N 0 0 447.539 4.105 40 0 IIABRN COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)c1 ZINC000019755780 569328515 /nfs/dbraw/zinc/32/85/15/569328515.db2.gz QKWWIDDDSUOEAT-QHCPKHFHSA-N 0 0 444.535 4.342 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019764445 569328925 /nfs/dbraw/zinc/32/89/25/569328925.db2.gz FPGOIDUSZCCKGK-QHCPKHFHSA-N 0 0 428.536 4.011 40 0 IIABRN Cc1ccc(C(=O)Cn2nc(N)n(Nc3ccc(Br)cc3)c2=S)c(C)c1 ZINC000028527136 569410609 /nfs/dbraw/zinc/41/06/09/569410609.db2.gz SLOXWNUWPNBSEH-UHFFFAOYSA-N 0 0 432.347 4.134 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000003109447 569440359 /nfs/dbraw/zinc/44/03/59/569440359.db2.gz SFNUAPHPISRZIW-UHFFFAOYSA-N 0 0 430.551 4.213 40 0 IIABRN CCOC[C@@]1(C(N)=S)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242687251 569462037 /nfs/dbraw/zinc/46/20/37/569462037.db2.gz UBSFPNSSHUMQMK-LMMKCTJWSA-N 0 0 444.405 4.242 40 0 IIABRN Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(N[C@@H](CO)C(C)C)n1 ZINC000329021331 569583248 /nfs/dbraw/zinc/58/32/48/569583248.db2.gz OGBSBPVIXRGWES-ZDUSSCGKSA-N 0 0 433.272 4.739 40 0 IIABRN Cc1c(Br)cccc1Nc1cc(-c2cccnc2)nc(N[C@H](CO)C(C)C)n1 ZINC000328999300 569583069 /nfs/dbraw/zinc/58/30/69/569583069.db2.gz JWCZKQXKDMFXGO-LJQANCHMSA-N 0 0 442.361 4.782 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccn2)n1 ZINC000328979573 569583270 /nfs/dbraw/zinc/58/32/70/569583270.db2.gz GGHHSBSFIUQFCH-QGZVFWFLSA-N 0 0 433.434 4.610 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2cccnc2)n1 ZINC000328979967 569583287 /nfs/dbraw/zinc/58/32/87/569583287.db2.gz GJJUFJAEOLENDC-QGZVFWFLSA-N 0 0 433.434 4.610 40 0 IIABRN Cc1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](C)CO)n1 ZINC000329068267 569583491 /nfs/dbraw/zinc/58/34/91/569583491.db2.gz YNYRFXSWESEVFU-CYBMUJFWSA-N 0 0 436.409 5.026 40 0 IIABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(N[C@@H](CO)C(C)C)n1 ZINC000329034324 569584046 /nfs/dbraw/zinc/58/40/46/569584046.db2.gz QXRHLSHLXPTFNG-ZDUSSCGKSA-N 0 0 438.372 4.875 40 0 IIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)c(Br)c1 ZINC000329012041 569584291 /nfs/dbraw/zinc/58/42/91/569584291.db2.gz MHPWXDXBNXGBDF-IBGZPJMESA-N 0 0 442.361 4.782 40 0 IIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)c(Br)c1 ZINC000329003391 569584322 /nfs/dbraw/zinc/58/43/22/569584322.db2.gz KMKUSIMGIKAUKS-IBGZPJMESA-N 0 0 442.361 4.782 40 0 IIABRN COc1ccc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000328972153 569584616 /nfs/dbraw/zinc/58/46/16/569584616.db2.gz DUHZLRZPNXOXJD-SFHVURJKSA-N 0 0 447.461 4.738 40 0 IIABRN COc1ccc(CNC(=O)[C@@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000020282085 569587066 /nfs/dbraw/zinc/58/70/66/569587066.db2.gz SFHKHCGENTYSGV-XMMPIXPASA-N 0 0 446.572 4.269 40 0 IIABRN CC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@@H]1OC(=O)CC(C)C ZINC000049601316 291378938 /nfs/dbraw/zinc/37/89/38/291378938.db2.gz MYXNOIIPXWBFFR-DHIUTWEWSA-N 0 0 428.481 4.472 40 0 biogenic,in-vitro IIABRN CC1=C[C@@H](CNC(=O)c2cncnc2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 ZINC000030880111 291380830 /nfs/dbraw/zinc/38/08/30/291380830.db2.gz LYOLQNWQCHSKOK-FIXSFTCYSA-N 0 0 434.584 4.110 40 0 biogenic,in-vitro IIABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000004237108 291383218 /nfs/dbraw/zinc/38/32/18/291383218.db2.gz KFONBXGNCRLTCE-QFBILLFUSA-N 0 0 434.923 4.437 40 0 biogenic,in-vitro IIABRN C[C@@H]1Cc2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2N1C(=O)c1ccccc1 ZINC000223269163 193960323 /nfs/dbraw/zinc/96/03/23/193960323.db2.gz CENQJHFFLPXSNR-MSOLQXFVSA-N 0 0 432.545 4.418 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](CC)C(=O)NC)cc1 ZINC000223317044 193966124 /nfs/dbraw/zinc/96/61/24/193966124.db2.gz IYQVEIQLTGMREE-FQEVSTJZSA-N 0 0 437.367 4.488 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1C ZINC000408607736 193976073 /nfs/dbraw/zinc/97/60/73/193976073.db2.gz OAHJXBDDUCOOBC-GFCCVEGCSA-N 0 0 431.341 4.006 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000408611178 193978381 /nfs/dbraw/zinc/97/83/81/193978381.db2.gz SJJJXFSCYVPKCQ-UHFFFAOYSA-N 0 0 441.258 4.417 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)cc2c1 ZINC000006177889 132276554 /nfs/dbraw/zinc/27/65/54/132276554.db2.gz MHBKICLSPNHBFD-QHCPKHFHSA-N 0 0 442.567 4.429 40 0 IIABRN Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c2cc1C ZINC000006194749 132276721 /nfs/dbraw/zinc/27/67/21/132276721.db2.gz FFYMZAZEZDQNBI-QHCPKHFHSA-N 0 0 442.567 4.429 40 0 IIABRN Cc1cccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccccc3F)CC2)c1C ZINC000013503944 132347525 /nfs/dbraw/zinc/34/75/25/132347525.db2.gz XUEUEDNXNBQJIG-DEOSSOPVSA-N 0 0 434.563 4.456 40 0 IIABRN Cc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013505255 132348899 /nfs/dbraw/zinc/34/88/99/132348899.db2.gz HVTWPQNPFHPNRE-QHCPKHFHSA-N 0 0 448.571 4.142 40 0 IIABRN Cc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013505257 132348904 /nfs/dbraw/zinc/34/89/04/132348904.db2.gz XRZBRCAYIRWNGG-QHCPKHFHSA-N 0 0 448.571 4.142 40 0 IIABRN Cc1cccc(Cc2c(C)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]c2=O)c1 ZINC000013611828 132351890 /nfs/dbraw/zinc/35/18/90/132351890.db2.gz QGPCPSVRZRFPGF-UHFFFAOYSA-N 0 0 442.485 4.323 40 0 IIABRN CC(=O)c1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000012471911 518341049 /nfs/dbraw/zinc/34/10/49/518341049.db2.gz GQPMRYPCNCWNIG-JOCHJYFZSA-N 0 0 448.548 4.188 40 0 IIABRN C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000033954928 518478330 /nfs/dbraw/zinc/47/83/30/518478330.db2.gz UFUVJROSOIXJGR-WLISBCLRSA-N 0 0 428.481 4.472 40 0 biogenic,in-vitro IIABRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)c(Cl)c1 ZINC000012870633 518748840 /nfs/dbraw/zinc/74/88/40/518748840.db2.gz HPSLMNVZWCAPCR-KRWDZBQOSA-N 0 0 447.923 4.028 40 0 IIABRN CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012084739 519796166 /nfs/dbraw/zinc/79/61/66/519796166.db2.gz ZTFUQGZHDZZEFE-OAQYLSRUSA-N 0 0 427.976 4.427 40 0 IIABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccccc2OC)[C@H](C(=O)OCC)C1=O ZINC000020675920 520185589 /nfs/dbraw/zinc/18/55/89/520185589.db2.gz MKPCMLHYEIKAAK-FCHUYYIVSA-N 0 0 435.524 4.350 40 0 IIABRN CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466537 520522417 /nfs/dbraw/zinc/52/24/17/520522417.db2.gz MJOCWIRAQQCXNU-YWHDMBOESA-N 0 0 434.665 4.379 40 0 biogenic,in-vitro IIABRN CCOC(=O)C1C(c2ccc(OC)cc2)=Nc2nc3ccccc3n2[C@@H]1c1ccccn1 ZINC000021005686 520540434 /nfs/dbraw/zinc/54/04/34/520540434.db2.gz BAGMHEPJTQWUIR-HSZRJFAPSA-N 0 0 426.476 4.429 40 0 IIABRN CCOc1ccc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1OCC ZINC000016807997 520910708 /nfs/dbraw/zinc/91/07/08/520910708.db2.gz LRFBKPDGJZEAAD-UHFFFAOYSA-N 0 0 442.825 4.129 40 0 IIABRN CCOc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000022381259 521058518 /nfs/dbraw/zinc/05/85/18/521058518.db2.gz HBLJRPIEXGEQSS-UHFFFAOYSA-N 0 0 434.514 4.120 40 0 IIABRN CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(OC)c(OC)c4)c(C)nn3c2C)cc1 ZINC000020633549 521122593 /nfs/dbraw/zinc/12/25/93/521122593.db2.gz UARUFWREXKIEPB-UHFFFAOYSA-N 0 0 447.495 4.076 40 0 IIABRN CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccccc2)C1 ZINC000012156732 521181335 /nfs/dbraw/zinc/18/13/35/521181335.db2.gz DEBZKXYTURFWAE-PXDATVDWSA-N 0 0 438.499 4.195 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)Nc3ccc(SC)cc3)cc2c1 ZINC000012482376 521283255 /nfs/dbraw/zinc/28/32/55/521283255.db2.gz OQLUUIJTMPNNEA-UHFFFAOYSA-N 0 0 441.553 4.329 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)c1csnn1)c1cc(C)ccc1C ZINC000012869176 521345827 /nfs/dbraw/zinc/34/58/27/521345827.db2.gz SDCPNYXACIOSAU-IBGZPJMESA-N 0 0 426.542 4.441 40 0 IIABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000022251971 521480884 /nfs/dbraw/zinc/48/08/84/521480884.db2.gz ZCGGKFMVLKGAQJ-UHFFFAOYSA-N 0 0 447.340 4.049 40 0 IIABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000022251959 521480916 /nfs/dbraw/zinc/48/09/16/521480916.db2.gz IOSWZNKFOPNCMC-UHFFFAOYSA-N 0 0 447.340 4.049 40 0 IIABRN CCc1ccccc1N(CC(=O)N[C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000020459916 521850156 /nfs/dbraw/zinc/85/01/56/521850156.db2.gz ZPHQPQZOZWNJDC-RUZDIDTESA-N 0 0 436.577 4.229 40 0 IIABRN COc1cc(/C=C/C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc(OC)c1OC ZINC000012600505 521934451 /nfs/dbraw/zinc/93/44/51/521934451.db2.gz XJXPVZMLVPTLJB-AYKWKYOQSA-N 0 0 434.529 4.273 40 0 IIABRN COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1c1nc(C)ncc1-c1ccncc1 ZINC000019134285 522276107 /nfs/dbraw/zinc/27/61/07/522276107.db2.gz SJJQBWKZEFLVFS-OAQYLSRUSA-N 0 0 432.524 4.297 40 0 IIABRN CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022428633 522383722 /nfs/dbraw/zinc/38/37/22/522383722.db2.gz QJIMTDQIQBNESG-QHCPKHFHSA-N 0 0 438.549 4.158 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022428688 522384973 /nfs/dbraw/zinc/38/49/73/522384973.db2.gz ZKJCYMMVUCADQS-QHCPKHFHSA-N 0 0 438.549 4.158 40 0 IIABRN CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016188171 522503885 /nfs/dbraw/zinc/50/38/85/522503885.db2.gz DOYLXQQUYKXAQP-UHFFFAOYSA-N 0 0 425.696 4.045 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022342135 522685955 /nfs/dbraw/zinc/68/59/55/522685955.db2.gz AKRRMFNROPZTPJ-MRXNPFEDSA-N 0 0 445.368 4.036 40 0 IIABRN CCc1nn2c(nnc(C(=O)Nc3ccc(CC)cc3)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000020797610 522711273 /nfs/dbraw/zinc/71/12/73/522711273.db2.gz UDQWHBNNNJWMJX-UHFFFAOYSA-N 0 0 445.523 4.494 40 0 IIABRN COc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)c1ccco1)CC2 ZINC000012472164 523048508 /nfs/dbraw/zinc/04/85/08/523048508.db2.gz JDCFCYBNQPQBOO-XMMPIXPASA-N 0 0 444.487 4.235 40 0 IIABRN COc1ccc(-c2c(C)nn3c2nnc(C(=O)Nc2ccccc2Cl)c3C)cc1OC ZINC000020633572 523078027 /nfs/dbraw/zinc/07/80/27/523078027.db2.gz LZZBIYLSMSUJOO-UHFFFAOYSA-N 0 0 437.887 4.331 40 0 IIABRN CN(Cc1ccc(/C=C/C(=O)Nc2ccccc2Sc2ccccc2)o1)S(C)(=O)=O ZINC000020450047 523196572 /nfs/dbraw/zinc/19/65/72/523196572.db2.gz VNRGIGGVIPXQJI-CCEZHUSRSA-N 0 0 442.562 4.474 40 0 IIABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1 ZINC000020968837 523229896 /nfs/dbraw/zinc/22/98/96/523229896.db2.gz LWFWEHHVWZCQIF-UHFFFAOYSA-N 0 0 447.472 4.359 40 0 IIABRN COc1ccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)N[C@H](C)c4ccccc4)cc23)cc1 ZINC000021867714 523271160 /nfs/dbraw/zinc/27/11/60/523271160.db2.gz CFPVDFMLUQLYAK-OAHLLOKOSA-N 0 0 439.475 4.150 40 0 IIABRN COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000016093230 523508579 /nfs/dbraw/zinc/50/85/79/523508579.db2.gz DOPMLQRLGBKNLJ-UHFFFAOYSA-N 0 0 425.131 4.243 40 0 IIABRN COCCN(Cc1cc2cccc(C)c2nc1Cl)S(=O)(=O)c1ccc(OC)cc1 ZINC000012493652 523742189 /nfs/dbraw/zinc/74/21/89/523742189.db2.gz AOYBERWGEGFBPK-UHFFFAOYSA-N 0 0 434.945 4.043 40 0 IIABRN CN(C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)C1CCCCC1 ZINC000022525388 523790530 /nfs/dbraw/zinc/79/05/30/523790530.db2.gz OOAGDFWGWOXSGF-UHFFFAOYSA-N 0 0 447.428 4.326 40 0 IIABRN COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1C ZINC000019133020 523803696 /nfs/dbraw/zinc/80/36/96/523803696.db2.gz VCWHTCDGKBQROE-JOCHJYFZSA-N 0 0 445.567 4.136 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)N3CCCC3)cc2c1 ZINC000020448324 523845451 /nfs/dbraw/zinc/84/54/51/523845451.db2.gz PUBZYPNITVQPGG-UHFFFAOYSA-N 0 0 444.578 4.279 40 0 IIABRN COc1ccc(CNC(=O)CSc2nnc3scc(-c4ccc(F)cc4)n23)cc1 ZINC000012878512 524053995 /nfs/dbraw/zinc/05/39/95/524053995.db2.gz OFPLPVGYEYDWSZ-UHFFFAOYSA-N 0 0 428.514 4.014 40 0 IIABRN Cc1ccc(C)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000022379260 524133656 /nfs/dbraw/zinc/13/36/56/524133656.db2.gz GPXSWDOCAPPCEQ-UHFFFAOYSA-N 0 0 430.476 4.416 40 0 IIABRN Cc1cccc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2cccnc2)c1C ZINC000035289316 524140112 /nfs/dbraw/zinc/14/01/12/524140112.db2.gz FWKXDXAMWHBTSJ-UHFFFAOYSA-N 0 0 431.521 4.383 40 0 IIABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611540 524199296 /nfs/dbraw/zinc/19/92/96/524199296.db2.gz KQQIKTOYHAKTGF-UHFFFAOYSA-N 0 0 425.710 4.200 40 0 IIABRN COc1ccc(Cn2c(C)nc3cc(Cl)c(NC(=O)c4cccnc4)cc3c2=O)cc1 ZINC000035313626 524258405 /nfs/dbraw/zinc/25/84/05/524258405.db2.gz QNQVZXOBGGVZAB-UHFFFAOYSA-N 0 0 434.883 4.063 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1C ZINC000022537687 524327482 /nfs/dbraw/zinc/32/74/82/524327482.db2.gz PIQZRRBELUUXNN-LJQANCHMSA-N 0 0 430.614 4.499 40 0 IIABRN Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000012872385 524361279 /nfs/dbraw/zinc/36/12/79/524361279.db2.gz DFUVFQGPKBVEHT-JOCHJYFZSA-N 0 0 449.580 4.074 40 0 IIABRN Cc1cc(C)cc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)c1 ZINC000012472026 524402129 /nfs/dbraw/zinc/40/21/29/524402129.db2.gz SASFUVWSWWREGF-QFIPXVFZSA-N 0 0 449.580 4.387 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000012636709 524509958 /nfs/dbraw/zinc/50/99/58/524509958.db2.gz XPVXHOHLSSUYJU-OAQYLSRUSA-N 0 0 438.528 4.433 40 0 IIABRN COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(OC)c(OC)c2)n2ccccc12 ZINC000022760411 524625383 /nfs/dbraw/zinc/62/53/83/524625383.db2.gz KKSPZBGOZOINTI-UHFFFAOYSA-N 0 0 445.475 4.031 40 0 IIABRN COc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449572 524627704 /nfs/dbraw/zinc/62/77/04/524627704.db2.gz YHGKYPKLUKMFKC-OAHLLOKOSA-N 0 0 440.496 4.227 40 0 IIABRN Cc1ccc(Cl)cc1N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccccn1 ZINC000012871156 524727481 /nfs/dbraw/zinc/72/74/81/524727481.db2.gz YZAMDIMEZJPUBM-GOSISDBHSA-N 0 0 443.960 4.198 40 0 IIABRN Cc1ccc(Cl)cc1N(CCCC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000020457763 524729588 /nfs/dbraw/zinc/72/95/88/524729588.db2.gz VMPGCIHBFSODLB-HNNXBMFYSA-N 0 0 426.941 4.211 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccccc2)cc1C ZINC000022389753 525011637 /nfs/dbraw/zinc/01/16/37/525011637.db2.gz VOTPJUPDNDXWFG-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccccc2)cc1C ZINC000022379981 525013653 /nfs/dbraw/zinc/01/36/53/525013653.db2.gz INAWUOSWODYVLC-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2C)cc1 ZINC000224010888 525079533 /nfs/dbraw/zinc/07/95/33/525079533.db2.gz BWWPPXSXJMMJSO-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN COc1ccc(SCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1OC ZINC000020451964 525102732 /nfs/dbraw/zinc/10/27/32/525102732.db2.gz YSNXHHLAHOIHQW-UHFFFAOYSA-N 0 0 428.554 4.497 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000022536874 525271213 /nfs/dbraw/zinc/27/12/13/525271213.db2.gz WHXVRJQNLPOFPN-KRWDZBQOSA-N 0 0 442.512 4.191 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)Cc2ccccc2)cc1 ZINC000022535439 525507795 /nfs/dbraw/zinc/50/77/95/525507795.db2.gz LJPKWXUJWMQMQP-IBGZPJMESA-N 0 0 440.540 4.202 40 0 IIABRN Cc1cc2nc(C3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc(C(F)(F)F)n2n1 ZINC000012089705 525669883 /nfs/dbraw/zinc/66/98/83/525669883.db2.gz MILSCHLHOPUIIV-UHFFFAOYSA-N 0 0 431.462 4.142 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cc2cccs2)c2cccnc2)cc1 ZINC000012492823 525677995 /nfs/dbraw/zinc/67/79/95/525677995.db2.gz HNTFQKQNGFOETB-QPPBQGQZSA-N 0 0 449.576 4.064 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2csnn2)cc1 ZINC000012871570 525679011 /nfs/dbraw/zinc/67/90/11/525679011.db2.gz IGQNLXAWLPAHIC-QFIPXVFZSA-N 0 0 434.565 4.289 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000020453380 525693093 /nfs/dbraw/zinc/69/30/93/525693093.db2.gz ISWBZRISVFSSBY-QGZVFWFLSA-N 0 0 434.989 4.068 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c(C)c1 ZINC000022342116 525695211 /nfs/dbraw/zinc/69/52/11/525695211.db2.gz DHWJRHIGXCVQAP-CQSZACIVSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2Cl)o1 ZINC000012870806 525871265 /nfs/dbraw/zinc/87/12/65/525871265.db2.gz KFEVCVVNVDYYNA-QGZVFWFLSA-N 0 0 432.933 4.396 40 0 IIABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(C)cc2C)o1 ZINC000012636983 525872934 /nfs/dbraw/zinc/87/29/34/525872934.db2.gz YITDGFURMSXGQO-LJQANCHMSA-N 0 0 426.542 4.359 40 0 IIABRN C[C@H](C(=O)N1CCCCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466315 525962773 /nfs/dbraw/zinc/96/27/73/525962773.db2.gz XQFVJXYKFNOAAJ-YGNMXRPASA-N 0 0 440.628 4.257 40 0 biogenic,in-vitro IIABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)on1 ZINC000012159003 526045194 /nfs/dbraw/zinc/04/51/94/526045194.db2.gz UPQMLYFIXZRWFA-SFHVURJKSA-N 0 0 428.492 4.499 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)c3ccccc3F)cc2)on1 ZINC000012159188 526045612 /nfs/dbraw/zinc/04/56/12/526045612.db2.gz KSBCRAFNRFMHIL-UHFFFAOYSA-N 0 0 431.471 4.242 40 0 IIABRN CSc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000022393366 526167633 /nfs/dbraw/zinc/16/76/33/526167633.db2.gz UUQDSAPXJMXSRR-UHFFFAOYSA-N 0 0 436.555 4.443 40 0 IIABRN Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O)CC(C)(C)O2 ZINC000022426541 526201429 /nfs/dbraw/zinc/20/14/29/526201429.db2.gz GVIWPISDCLDYBZ-HXUWFJFHSA-N 0 0 444.597 4.303 40 0 IIABRN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012097953 526479915 /nfs/dbraw/zinc/47/99/15/526479915.db2.gz MDNSJLZLHDPGEW-HFJAQBFCSA-N 0 0 432.564 4.434 40 0 IIABRN O=C(c1cc(F)cc(F)c1)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012129128 526618449 /nfs/dbraw/zinc/61/84/49/526618449.db2.gz SZBKLCWFZBUELF-UHFFFAOYSA-N 0 0 429.492 4.161 40 0 IIABRN O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCC[C@H]1[C@H](O)c1nc2ccccc2s1 ZINC000012183103 526684593 /nfs/dbraw/zinc/68/45/93/526684593.db2.gz DDWYPQSCUIGHQX-LPHOPBHVSA-N 0 0 442.928 4.126 40 0 IIABRN O=C(CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1)NCc1ccccc1 ZINC000012644311 526727492 /nfs/dbraw/zinc/72/74/92/526727492.db2.gz UNCBZXSXOCAZFA-UHFFFAOYSA-N 0 0 442.563 4.256 40 0 IIABRN O=C(NCc1ccccc1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012710901 526732282 /nfs/dbraw/zinc/73/22/82/526732282.db2.gz KIKUDMVSSMGMIC-UHFFFAOYSA-N 0 0 441.487 4.169 40 0 IIABRN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000012471927 526734629 /nfs/dbraw/zinc/73/46/29/526734629.db2.gz HBACAGKXJUAKPD-JOCHJYFZSA-N 0 0 428.517 4.243 40 0 IIABRN Cc1occc1-c1nc(N2CCN(C(=O)c3cccs3)CC2)ncc1-c1ccncc1 ZINC000012222835 526797025 /nfs/dbraw/zinc/79/70/25/526797025.db2.gz WMIUGYPOLOPTNE-UHFFFAOYSA-N 0 0 431.521 4.131 40 0 IIABRN O=C(c1ccccc1F)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012645615 526804391 /nfs/dbraw/zinc/80/43/91/526804391.db2.gz GYBUWWQGZJRNAN-UHFFFAOYSA-N 0 0 448.425 4.378 40 0 IIABRN O=C(CN1c2sc3c(c2C(c2cccs2)=NCC1=O)CCCC3)NC1CCCCC1 ZINC000012833990 526828756 /nfs/dbraw/zinc/82/87/56/526828756.db2.gz AOTBJTHMRKZEBP-UHFFFAOYSA-N 0 0 441.622 4.321 40 0 IIABRN Cc1sc(NC(=O)CN(C(=O)Nc2cccc(C)c2)C2CCCC2)c(C(N)=O)c1C ZINC000035292412 526878861 /nfs/dbraw/zinc/87/88/61/526878861.db2.gz OYNIIIKUGGISGJ-UHFFFAOYSA-N 0 0 428.558 4.187 40 0 IIABRN Cc1sc(NC(=O)CN(C(=O)Nc2ccc(F)cc2)C2CCCCC2)c(C(N)=O)c1C ZINC000035292416 526879226 /nfs/dbraw/zinc/87/92/26/526879226.db2.gz RLRDZQSVIFCEHT-UHFFFAOYSA-N 0 0 446.548 4.408 40 0 IIABRN Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)NC4CCCCC4)C3)c(=O)c2c1C ZINC000012184117 526888976 /nfs/dbraw/zinc/88/89/76/526888976.db2.gz DMNISVRTCDBMGD-LJQANCHMSA-N 0 0 444.645 4.284 40 0 IIABRN O=C(COc1ccc(I)cc1)Nc1ccccc1Br ZINC000042251688 526963073 /nfs/dbraw/zinc/96/30/73/526963073.db2.gz UKSZHZOGZTZSTI-UHFFFAOYSA-N 0 0 432.055 4.071 40 0 IIABRN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc2nsnc2c1 ZINC000020495077 527227234 /nfs/dbraw/zinc/22/72/34/527227234.db2.gz LFPNRLOQAIYHDW-UHFFFAOYSA-N 0 0 447.539 4.405 40 0 IIABRN O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000020534243 527281979 /nfs/dbraw/zinc/28/19/79/527281979.db2.gz QTIWHYAYMZPBGY-UHFFFAOYSA-N 0 0 434.483 4.365 40 0 IIABRN O=C(Nc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020487734 527290572 /nfs/dbraw/zinc/29/05/72/527290572.db2.gz CELOAFVABCQSLU-UHFFFAOYSA-N 0 0 430.869 4.122 40 0 IIABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2n1c1ccccc1c(=O)n2C1CCCC1 ZINC000001331550 555690575 /nfs/dbraw/zinc/69/05/75/555690575.db2.gz CUGYRUZQKRXROU-HOTGVXAUSA-N 0 0 439.585 4.041 40 0 IIABRN CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000009983008 555691266 /nfs/dbraw/zinc/69/12/66/555691266.db2.gz FOEGJHLXFMBZKZ-LOGSMFOVSA-N 0 0 449.334 4.280 40 0 IIABRN Cc1ccc(CCN(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001561393 555703128 /nfs/dbraw/zinc/70/31/28/555703128.db2.gz LQFPRMLZDJYHKJ-UHFFFAOYSA-N 0 0 443.590 4.234 40 0 IIABRN Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1NC(=S)NC(=O)c1ccccc1 ZINC000001687247 555709685 /nfs/dbraw/zinc/70/96/85/555709685.db2.gz AMKYWMQFCWYGEM-UHFFFAOYSA-N 0 0 448.573 4.249 40 0 IIABRN O=C(OC[C@@H]1OC=C(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000001723436 555710909 /nfs/dbraw/zinc/71/09/09/555710909.db2.gz ZLNZVIVTTXJSKI-JTHBVZDNSA-N 0 0 444.439 4.166 40 0 IIABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000408533342 555746357 /nfs/dbraw/zinc/74/63/57/555746357.db2.gz QIQATVIQVDFYKD-UHFFFAOYSA-N 0 0 436.533 4.018 40 0 IIABRN CCOc1ccc(-c2ccc(OC(=O)c3ccccc3I)nn2)cc1 ZINC000408534664 555752755 /nfs/dbraw/zinc/75/27/55/555752755.db2.gz VVNZFNUXLZSHLG-UHFFFAOYSA-N 0 0 446.244 4.366 40 0 IIABRN CCc1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000408542178 555790550 /nfs/dbraw/zinc/79/05/50/555790550.db2.gz HVCKYTUERICKIK-UHFFFAOYSA-N 0 0 447.358 4.243 40 0 IIABRN CCN(C(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1)c1ccccc1 ZINC000408543326 555790810 /nfs/dbraw/zinc/79/08/10/555790810.db2.gz NZDCMHGMXOWWAT-UHFFFAOYSA-N 0 0 433.331 4.085 40 0 IIABRN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408554597 555884422 /nfs/dbraw/zinc/88/44/22/555884422.db2.gz COOHRQXLNZKZJN-QGZVFWFLSA-N 0 0 430.476 4.157 40 0 IIABRN NC(=O)COc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 ZINC000408558103 555897155 /nfs/dbraw/zinc/89/71/55/555897155.db2.gz PTQZWOQHSVVWEJ-UHFFFAOYSA-N 0 0 448.542 4.341 40 0 IIABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000408558879 555898330 /nfs/dbraw/zinc/89/83/30/555898330.db2.gz SWJLDJVTOSCURS-CQSZACIVSA-N 0 0 432.929 4.295 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cc(C)cc3C)C2)cc1 ZINC000408558898 555898353 /nfs/dbraw/zinc/89/83/53/555898353.db2.gz UKNWPMRGCRRLTM-LJQANCHMSA-N 0 0 430.570 4.050 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000408558882 555898404 /nfs/dbraw/zinc/89/84/04/555898404.db2.gz KMHUKDQMZLFZHN-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408559876 555899585 /nfs/dbraw/zinc/89/95/85/555899585.db2.gz NEOCIJWBDVVAPE-KRWDZBQOSA-N 0 0 440.521 4.101 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000408560313 555900516 /nfs/dbraw/zinc/90/05/16/555900516.db2.gz OLGORIVFGJTBOM-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN CCN(CC)C(=O)C(=O)c1cn(CC(=O)N2c3ccc(F)cc3CC[C@H]2C)c2ccccc12 ZINC000408571180 555914882 /nfs/dbraw/zinc/91/48/82/555914882.db2.gz OBHNQELVTBJXEW-QGZVFWFLSA-N 0 0 449.526 4.199 40 0 IIABRN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000408575474 555926025 /nfs/dbraw/zinc/92/60/25/555926025.db2.gz LTFBCOXTYYSVON-UHFFFAOYSA-N 0 0 426.494 4.065 40 0 IIABRN Cc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)NC1CCCCC1 ZINC000408584676 555934727 /nfs/dbraw/zinc/93/47/27/555934727.db2.gz SWNPLFLPIBISCB-LJQANCHMSA-N 0 0 428.598 4.357 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)cc1C ZINC000408584825 555935218 /nfs/dbraw/zinc/93/52/18/555935218.db2.gz VONFSWGMFXVCSZ-LJQANCHMSA-N 0 0 436.618 4.024 40 0 IIABRN CCc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408586111 555936660 /nfs/dbraw/zinc/93/66/60/555936660.db2.gz AGJNBBHWFMGFJS-KRWDZBQOSA-N 0 0 430.570 4.266 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C)cc1)c1ccc(F)cc1 ZINC000408589082 555943936 /nfs/dbraw/zinc/94/39/36/555943936.db2.gz YIQVDZXSESWTNX-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000408590085 555947194 /nfs/dbraw/zinc/94/71/94/555947194.db2.gz JATPTUSLBHKPIU-UHFFFAOYSA-N 0 0 445.368 4.030 40 0 IIABRN Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccc2O)c(C)c1 ZINC000408598883 555958054 /nfs/dbraw/zinc/95/80/54/555958054.db2.gz CFQLFLQPHYGPFX-UHFFFAOYSA-N 0 0 434.521 4.258 40 0 IIABRN Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1 ZINC000408595859 555962817 /nfs/dbraw/zinc/96/28/17/555962817.db2.gz VLKJWCFXYNODMW-UHFFFAOYSA-N 0 0 444.940 4.144 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1C ZINC000408595832 555962885 /nfs/dbraw/zinc/96/28/85/555962885.db2.gz VBMIIUXJCPEEBT-SFHVURJKSA-N 0 0 430.570 4.320 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1Cl ZINC000408601696 555969740 /nfs/dbraw/zinc/96/97/40/555969740.db2.gz GMXYEHSFIUSBPW-UHFFFAOYSA-N 0 0 436.961 4.231 40 0 IIABRN CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408601829 555970525 /nfs/dbraw/zinc/97/05/25/555970525.db2.gz BWDULMSMLQXSAU-GFCCVEGCSA-N 0 0 447.322 4.185 40 0 IIABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1Cl ZINC000408602066 555970925 /nfs/dbraw/zinc/97/09/25/555970925.db2.gz HPPLRKRGERMKIS-UHFFFAOYSA-N 0 0 436.961 4.231 40 0 IIABRN COc1cccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000408619072 555982893 /nfs/dbraw/zinc/98/28/93/555982893.db2.gz LPWKDDKMTHTELE-UHFFFAOYSA-N 0 0 430.570 4.120 40 0 IIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccc(F)cc3)CC2=O)cc1 ZINC000408614568 555985170 /nfs/dbraw/zinc/98/51/70/555985170.db2.gz DSXYRTLZRQREEH-LJQANCHMSA-N 0 0 445.494 4.056 40 0 IIABRN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408614851 555985544 /nfs/dbraw/zinc/98/55/44/555985544.db2.gz IVUNFKLWHXNPIY-SFHVURJKSA-N 0 0 447.922 4.262 40 0 IIABRN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408614850 555985619 /nfs/dbraw/zinc/98/56/19/555985619.db2.gz IVUNFKLWHXNPIY-GOSISDBHSA-N 0 0 447.922 4.262 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)N1CCCCC1 ZINC000408616770 555987657 /nfs/dbraw/zinc/98/76/57/555987657.db2.gz AXWXRCCBEYJTNS-UHFFFAOYSA-N 0 0 437.359 4.184 40 0 IIABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408616644 555987659 /nfs/dbraw/zinc/98/76/59/555987659.db2.gz ZRAGPFXPQFNCPS-LJQANCHMSA-N 0 0 445.494 4.056 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000408623227 555992049 /nfs/dbraw/zinc/99/20/49/555992049.db2.gz RSMCQWQZQQFLLD-UHFFFAOYSA-N 0 0 442.566 4.442 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(OC)cc2OC)cc1 ZINC000408625094 555995772 /nfs/dbraw/zinc/99/57/72/555995772.db2.gz IBFNECIHZZOYTI-UHFFFAOYSA-N 0 0 431.485 4.247 40 0 IIABRN CCn1c2ccccc2c2cc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)ccc21 ZINC000408625937 555996467 /nfs/dbraw/zinc/99/64/67/555996467.db2.gz XMHPIXXVWCXJPS-UHFFFAOYSA-N 0 0 435.549 4.215 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(=O)N1CCCCC1 ZINC000408627193 555998066 /nfs/dbraw/zinc/99/80/66/555998066.db2.gz YIMRBHFVROGEBQ-UHFFFAOYSA-N 0 0 437.359 4.184 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccc(OC)cc2OC)cc1 ZINC000408627505 555998380 /nfs/dbraw/zinc/99/83/80/555998380.db2.gz NENTZTRUDLRAKW-UHFFFAOYSA-N 0 0 427.522 4.416 40 0 IIABRN CC(=O)Nc1cccc(-c2nc(SCC(=O)c3ccc(Br)cc3)n[nH]2)c1 ZINC000408638605 556015847 /nfs/dbraw/zinc/01/58/47/556015847.db2.gz STAPXFHMCOTAPP-UHFFFAOYSA-N 0 0 431.315 4.168 40 0 IIABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1 ZINC000408640513 556016659 /nfs/dbraw/zinc/01/66/59/556016659.db2.gz IGEAEVWCTZTWCP-LBPRGKRZSA-N 0 0 437.721 4.411 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1Cl ZINC000408642173 556018261 /nfs/dbraw/zinc/01/82/61/556018261.db2.gz DQXHDTZDLIZBJI-NSHDSACASA-N 0 0 426.683 4.426 40 0 IIABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000408637252 556020188 /nfs/dbraw/zinc/02/01/88/556020188.db2.gz YSLQYOSIHKKMNB-LBPRGKRZSA-N 0 0 431.341 4.088 40 0 IIABRN CC(=O)Nc1ccc(-c2nc(SCC(=O)c3ccc(Br)cc3)n[nH]2)cc1 ZINC000408637478 556020808 /nfs/dbraw/zinc/02/08/08/556020808.db2.gz KYINZSMBOGASQL-UHFFFAOYSA-N 0 0 431.315 4.168 40 0 IIABRN O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408651288 556027382 /nfs/dbraw/zinc/02/73/82/556027382.db2.gz DCGMAEAUBZLMGD-GOSISDBHSA-N 0 0 436.508 4.142 40 0 IIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(O)cc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408654898 556033496 /nfs/dbraw/zinc/03/34/96/556033496.db2.gz KPQBQHCDWONVBS-TUUBTQOTSA-N 0 0 436.294 4.490 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)c1 ZINC000035239896 556035762 /nfs/dbraw/zinc/03/57/62/556035762.db2.gz HHXVBIMCCCXBHN-UHFFFAOYSA-N 0 0 444.940 4.144 40 0 IIABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O ZINC000408656870 556036694 /nfs/dbraw/zinc/03/66/94/556036694.db2.gz SXOZGNCCOOYNBF-CYBMUJFWSA-N 0 0 433.291 4.161 40 0 IIABRN CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2Cl)CC1=O ZINC000408657522 556038385 /nfs/dbraw/zinc/03/83/85/556038385.db2.gz UKYNAHTYJVPQJE-ZDUSSCGKSA-N 0 0 436.291 4.171 40 0 IIABRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 ZINC000408659242 556044130 /nfs/dbraw/zinc/04/41/30/556044130.db2.gz KIIXCIBAENQBOH-BMPBXIOVSA-N 0 0 444.409 4.094 40 0 IIABRN O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408662599 556044800 /nfs/dbraw/zinc/04/48/00/556044800.db2.gz FRRYNHBXUNFXRU-UHFFFAOYSA-N 0 0 426.366 4.135 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000408663277 556045905 /nfs/dbraw/zinc/04/59/05/556045905.db2.gz YJCJHHGCRDGLEU-SUMDDJOVSA-N 0 0 438.911 4.001 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408663132 556046015 /nfs/dbraw/zinc/04/60/15/556046015.db2.gz LKBJPCZJMNFRDH-UHFFFAOYSA-N 0 0 439.295 4.211 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1C ZINC000408663949 556047645 /nfs/dbraw/zinc/04/76/45/556047645.db2.gz PGQCOXUWULDFKF-IPHXSNPTSA-N 0 0 448.519 4.025 40 0 IIABRN CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408663983 556047831 /nfs/dbraw/zinc/04/78/31/556047831.db2.gz IJCKSENQNWOJQH-UHFFFAOYSA-N 0 0 430.888 4.142 40 0 IIABRN O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000408665680 556049932 /nfs/dbraw/zinc/04/99/32/556049932.db2.gz VPOHXKNZOVGPLE-UHFFFAOYSA-N 0 0 427.259 4.423 40 0 IIABRN Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000408669344 556055327 /nfs/dbraw/zinc/05/53/27/556055327.db2.gz WDIXADCTGYLHJD-RTOPAQNCSA-N 0 0 448.519 4.025 40 0 IIABRN COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408667927 556056930 /nfs/dbraw/zinc/05/69/30/556056930.db2.gz SFFHUIYJBLLCES-UHFFFAOYSA-N 0 0 439.295 4.293 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000408672438 556062672 /nfs/dbraw/zinc/06/26/72/556062672.db2.gz ZCNWTAJEMQASKB-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1OCC ZINC000408677301 556069620 /nfs/dbraw/zinc/06/96/20/556069620.db2.gz CGROUEOQRWJXBY-UHFFFAOYSA-N 0 0 429.991 4.349 40 0 IIABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C ZINC000408677703 556071319 /nfs/dbraw/zinc/07/13/19/556071319.db2.gz QVOSXINDRWCSLV-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408681582 556075347 /nfs/dbraw/zinc/07/53/47/556075347.db2.gz YCRYXRXUHCCWGO-FQEVSTJZSA-N 0 0 446.569 4.056 40 0 IIABRN Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(F)cc1 ZINC000035352956 556080992 /nfs/dbraw/zinc/08/09/92/556080992.db2.gz JDYUKLJPRSBZSP-UHFFFAOYSA-N 0 0 425.316 4.483 40 0 IIABRN CCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)cc1 ZINC000408681936 556081871 /nfs/dbraw/zinc/08/18/71/556081871.db2.gz JTDFWKPPVILDEV-FGZHOGPDSA-N 0 0 446.503 4.351 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)N1CCCCCC1 ZINC000408693339 556093846 /nfs/dbraw/zinc/09/38/46/556093846.db2.gz PCYAZXMWDUZZSW-UHFFFAOYSA-N 0 0 436.961 4.474 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408694244 556096232 /nfs/dbraw/zinc/09/62/32/556096232.db2.gz HCEBXLYLLGIEFV-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C(=O)N1CCCCCC1 ZINC000408693465 556099258 /nfs/dbraw/zinc/09/92/58/556099258.db2.gz VTZCBNRADMBHHG-UHFFFAOYSA-N 0 0 434.583 4.234 40 0 IIABRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCC ZINC000408700701 556102826 /nfs/dbraw/zinc/10/28/26/556102826.db2.gz KNUQNZQLFIFRQW-UHFFFAOYSA-N 0 0 440.521 4.428 40 0 IIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408706236 556112609 /nfs/dbraw/zinc/11/26/09/556112609.db2.gz YHFWYCQVTFOKGH-QFIPXVFZSA-N 0 0 446.569 4.056 40 0 IIABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000408706278 556112850 /nfs/dbraw/zinc/11/28/50/556112850.db2.gz ZDANKASDIZHALT-UHFFFAOYSA-N 0 0 425.381 4.493 40 0 IIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000408705346 556113502 /nfs/dbraw/zinc/11/35/02/556113502.db2.gz CSNFOHKNHOMGCE-UHFFFAOYSA-N 0 0 431.739 4.141 40 0 IIABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCCc2ccccc2)cc1 ZINC000408710246 556117253 /nfs/dbraw/zinc/11/72/53/556117253.db2.gz ULTBUUYHOBDASV-UHFFFAOYSA-N 0 0 443.547 4.003 40 0 IIABRN COc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)c(Cl)c(C)c3)o2)cc1OC ZINC000408714313 556132782 /nfs/dbraw/zinc/13/27/82/556132782.db2.gz OAIAHMFVEWSCOG-UHFFFAOYSA-N 0 0 445.903 4.061 40 0 IIABRN CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000008590031 556188630 /nfs/dbraw/zinc/18/86/30/556188630.db2.gz PKHIEEYUXNXRHP-GSQSYGFSSA-N 0 0 438.362 4.142 40 0 aggregator IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000008675705 556198878 /nfs/dbraw/zinc/19/88/78/556198878.db2.gz VLDWNCXYXZZQFG-UHFFFAOYSA-N 0 0 435.760 4.166 40 0 IIABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)o2)cc1 ZINC000009199225 556256750 /nfs/dbraw/zinc/25/67/50/556256750.db2.gz XMDJWQJIPJVROB-UHFFFAOYSA-N 0 0 425.510 4.265 40 0 IIABRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(OCc2ccccc2)c1 ZINC000013684664 556275436 /nfs/dbraw/zinc/27/54/36/556275436.db2.gz YISZCGZFMPUHNJ-QFIPXVFZSA-N 0 0 430.504 4.427 40 0 IIABRN CC[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713232 556285331 /nfs/dbraw/zinc/28/53/31/556285331.db2.gz MECMNXDWSHSAHO-LJQANCHMSA-N 0 0 441.018 4.102 40 0 IIABRN CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713431 556285682 /nfs/dbraw/zinc/28/56/82/556285682.db2.gz AYXMXFJKILRONY-QHCPKHFHSA-N 0 0 428.598 4.021 40 0 IIABRN CC[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714161 556286027 /nfs/dbraw/zinc/28/60/27/556286027.db2.gz KZTJDPRUUSNONV-MRXNPFEDSA-N 0 0 445.766 4.286 40 0 IIABRN CC[C@@H](C(=O)NCCSc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714308 556286426 /nfs/dbraw/zinc/28/64/26/556286426.db2.gz MPDNGBPYGGRAFN-IBGZPJMESA-N 0 0 441.018 4.102 40 0 IIABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)C1CCC(CNS(=O)(=O)c3ccccc3)CC1)C2 ZINC000036579828 556307864 /nfs/dbraw/zinc/30/78/64/556307864.db2.gz AZRSUKPQWZSIBP-VICHATHASA-N 0 0 432.630 4.199 40 0 IIABRN Cc1ccc(SCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000010009603 556321476 /nfs/dbraw/zinc/32/14/76/556321476.db2.gz ZTOKUZSQVFPZGN-UHFFFAOYSA-N 0 0 446.619 4.404 40 0 IIABRN CN(c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1cccs1 ZINC000010009658 556321493 /nfs/dbraw/zinc/32/14/93/556321493.db2.gz SSRZJTNAFGKALZ-UHFFFAOYSA-N 0 0 430.595 4.272 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000010009667 556321505 /nfs/dbraw/zinc/32/15/05/556321505.db2.gz BETSZNXUHFOVIX-QGZVFWFLSA-N 0 0 428.579 4.324 40 0 IIABRN Cc1cccc(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 ZINC000010110661 556325621 /nfs/dbraw/zinc/32/56/21/556325621.db2.gz VMKLIXMEXIADJH-UHFFFAOYSA-N 0 0 440.540 4.078 40 0 IIABRN O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000010156752 556326873 /nfs/dbraw/zinc/32/68/73/556326873.db2.gz GPIATNXJMSKKGL-UHFFFAOYSA-N 0 0 440.286 4.098 40 0 IIABRN Cc1cc(C)cc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccccc2)c1 ZINC000010449683 556335307 /nfs/dbraw/zinc/33/53/07/556335307.db2.gz BOLTZOYULJBFEI-HXUWFJFHSA-N 0 0 434.561 4.477 40 0 IIABRN O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014223875 556393744 /nfs/dbraw/zinc/39/37/44/556393744.db2.gz 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CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000016740451 556634686 /nfs/dbraw/zinc/63/46/86/556634686.db2.gz BUOORNWORIPYJP-UHFFFAOYSA-N 0 0 446.532 4.237 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1cccc(Cl)c1 ZINC000040385146 556635693 /nfs/dbraw/zinc/63/56/93/556635693.db2.gz YRPYIKKLKXXMOJ-UHFFFAOYSA-N 0 0 425.851 4.291 40 0 IIABRN COCc1nn2c(nnc(C(=O)Nc3ccccc3OC)c2C)c1-c1cccc(Cl)c1 ZINC000040385153 556635707 /nfs/dbraw/zinc/63/57/07/556635707.db2.gz YWYZELWWJOHGEK-UHFFFAOYSA-N 0 0 437.887 4.160 40 0 IIABRN CCc1nn2c(nnc3c2ccn(Cc2ccccc2OC)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395893 556638395 /nfs/dbraw/zinc/63/83/95/556638395.db2.gz RGODOOSMZTTYQO-UHFFFAOYSA-N 0 0 445.910 4.379 40 0 IIABRN Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)cc1 ZINC000040400383 556643375 /nfs/dbraw/zinc/64/33/75/556643375.db2.gz OEDPAOBSAINYEU-SFHVURJKSA-N 0 0 439.475 4.040 40 0 IIABRN O=C(NCCSCc1ccco1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000044786536 556667516 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Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C2CCN(C(=O)c3ccco3)CC2)on1 ZINC000019123075 556701964 /nfs/dbraw/zinc/70/19/64/556701964.db2.gz ULWKJEIRTLGKPY-INIZCTEOSA-N 0 0 435.528 4.289 40 0 IIABRN CCOCC(=O)NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)C[C@@H](c3ccccc3)O[C@H]2CC1 ZINC000257214433 556702651 /nfs/dbraw/zinc/70/26/51/556702651.db2.gz CLZFAVBZHJPKIW-HOIWYFOJSA-N 0 0 437.580 4.158 40 0 IIABRN COc1ccc(N2O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013617678 556704077 /nfs/dbraw/zinc/70/40/77/556704077.db2.gz BFWHVTSVWUKBED-BHIFYINESA-N 0 0 434.879 4.400 40 0 IIABRN Cc1cc2nc([C@H]3CCCN(C(=O)CCCc4ccncc4)C3)cc(C(F)(F)F)n2n1 ZINC000019129036 556704100 /nfs/dbraw/zinc/70/41/00/556704100.db2.gz JRHWKCXFYKLHLP-KRWDZBQOSA-N 0 0 431.462 4.180 40 0 IIABRN Cc1nccn1Cc1cccc(C(=O)N2CCOC[C@H](Cc3cccc4ccncc43)C2)c1 ZINC000257322481 556704579 /nfs/dbraw/zinc/70/45/79/556704579.db2.gz WGDQWFTYTDWEGY-JOCHJYFZSA-N 0 0 440.547 4.119 40 0 IIABRN Cc1noc(C)c1CCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccc(C)cc2)C1 ZINC000019212853 556710562 /nfs/dbraw/zinc/71/05/62/556710562.db2.gz KHHYWNGODZPZGN-HSZRJFAPSA-N 0 0 445.563 4.017 40 0 IIABRN COc1cccc(CC(=O)N2CCC(Cc3cccc(-c4cccs4)c3)(C(N)=O)CC2)c1 ZINC000257248256 556711314 /nfs/dbraw/zinc/71/13/14/556711314.db2.gz JCVRPROAFGAFKI-UHFFFAOYSA-N 0 0 448.588 4.303 40 0 IIABRN Cc1n[nH]c(C)c1CCC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1ccc(C)cn1 ZINC000019216168 556711961 /nfs/dbraw/zinc/71/19/61/556711961.db2.gz JGSYPVMHIDGXOY-UHFFFAOYSA-N 0 0 446.530 4.149 40 0 IIABRN Cc1cc(-c2cnc(NCCNC(=O)c3scnc3C)nc2-c2ccc(C)s2)on1 ZINC000019217417 556712845 /nfs/dbraw/zinc/71/28/45/556712845.db2.gz MEWUHUNOOGXDJI-UHFFFAOYSA-N 0 0 440.554 4.084 40 0 IIABRN Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCC(=O)N4CCCCC4)CCOCC3)cc2)c1 ZINC000257278187 556714605 /nfs/dbraw/zinc/71/46/05/556714605.db2.gz OBFHRAANBMLDKV-UHFFFAOYSA-N 0 0 448.607 4.438 40 0 IIABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H](C)n4cncn4)C3)c(-c3ccncc3)c2c1 ZINC000019220193 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440.496 4.268 40 0 IIABRN NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCc2ccccc2)C1 ZINC000019370704 556748044 /nfs/dbraw/zinc/74/80/44/556748044.db2.gz HZZIRQNOLVTQEN-MHZLTWQESA-N 0 0 427.548 4.018 40 0 IIABRN Cc1ccc(OCc2nnc(SCC(=O)N3CCCCCC3)n2Cc2ccco2)cc1 ZINC000000919681 556748764 /nfs/dbraw/zinc/74/87/64/556748764.db2.gz XQZBJPGJDDLMSQ-UHFFFAOYSA-N 0 0 440.569 4.302 40 0 IIABRN COc1cccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)c1 ZINC000000920062 556749491 /nfs/dbraw/zinc/74/94/91/556749491.db2.gz TWQYKLSJKFSJSY-NRFANRHFSA-N 0 0 437.565 4.223 40 0 IIABRN COc1cc(Br)c(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1O ZINC000001068999 556749883 /nfs/dbraw/zinc/74/98/83/556749883.db2.gz FTBAMUNKXQYUAE-UHFFFAOYSA-N 0 0 448.235 4.003 40 0 IIABRN NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000019374255 556750877 /nfs/dbraw/zinc/75/08/77/556750877.db2.gz VGKMTVMTGZQGDH-HHHXNRCGSA-N 0 0 430.523 4.372 40 0 IIABRN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376498 556752386 /nfs/dbraw/zinc/75/23/86/556752386.db2.gz PZHWWNAAMMSIMO-GOSISDBHSA-N 0 0 442.447 4.089 40 0 IIABRN COc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3Br)o2)cc1 ZINC000000925127 556752646 /nfs/dbraw/zinc/75/26/46/556752646.db2.gz YRYBRYVGLRWIDK-UHFFFAOYSA-N 0 0 449.330 4.184 40 0 IIABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000925879 556752818 /nfs/dbraw/zinc/75/28/18/556752818.db2.gz NQKQZSZWYASIGR-UHFFFAOYSA-N 0 0 436.585 4.096 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000926761 556753409 /nfs/dbraw/zinc/75/34/09/556753409.db2.gz DQOJBLUCHBBUMN-UHFFFAOYSA-N 0 0 446.555 4.432 40 0 IIABRN COc1cc(NC(=O)CSc2nc3cc(OC)c(OC)cc3cc2C)cc(OC)c1 ZINC000000928286 556754025 /nfs/dbraw/zinc/75/40/25/556754025.db2.gz ZIBJDXMOKSTQEL-UHFFFAOYSA-N 0 0 428.510 4.308 40 0 IIABRN CCc1nnc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)s1 ZINC000000928703 556754743 /nfs/dbraw/zinc/75/47/43/556754743.db2.gz WDCCWYUUSZAHLZ-UHFFFAOYSA-N 0 0 436.566 4.387 40 0 IIABRN C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5cccc(F)c5)nnc4c23)C1 ZINC000000929606 556755488 /nfs/dbraw/zinc/75/54/88/556755488.db2.gz QDYCGTSFEGAEKQ-LLVKDONJSA-N 0 0 427.530 4.334 40 0 IIABRN COc1cccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)c1 ZINC000000929586 556755495 /nfs/dbraw/zinc/75/54/95/556755495.db2.gz JMDZCKMBEACWIG-LBPRGKRZSA-N 0 0 439.566 4.203 40 0 IIABRN C[C@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccc(F)cc5)nnc4c23)C1 ZINC000000929584 556755526 /nfs/dbraw/zinc/75/55/26/556755526.db2.gz WMUVXSFKPROANV-NSHDSACASA-N 0 0 427.530 4.334 40 0 IIABRN COc1cccc(OC)c1CN[C@H](c1cc(=O)n2nc(-c3cccnc3)cc2[nH]1)C(C)C ZINC000019445511 556755890 /nfs/dbraw/zinc/75/58/90/556755890.db2.gz ZLNDNRKAJRNFGS-DEOSSOPVSA-N 0 0 433.512 4.001 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccccc3)cc2c1 ZINC000000931475 556756780 /nfs/dbraw/zinc/75/67/80/556756780.db2.gz MSWNRUGDJZEEON-JOCHJYFZSA-N 0 0 435.593 4.201 40 0 IIABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCc3ccccc3)cc2c1 ZINC000000931542 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CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cccc(F)c2)C1 ZINC000019591184 556825991 /nfs/dbraw/zinc/82/59/91/556825991.db2.gz PGZVPVSRTIKELK-AREMUKBSSA-N 0 0 431.511 4.099 40 0 IIABRN Cc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CCCC2)c1 ZINC000004965165 556826085 /nfs/dbraw/zinc/82/60/85/556826085.db2.gz AQYGUTBTMMPYIP-OAQYLSRUSA-N 0 0 426.586 4.422 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)Cc2ccccc2)C1 ZINC000019591498 556827105 /nfs/dbraw/zinc/82/71/05/556827105.db2.gz BRUKYVPGKHGFIC-MUUNZHRXSA-N 0 0 442.559 4.112 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2ccccc2OC)C1 ZINC000019591512 556827115 /nfs/dbraw/zinc/82/71/15/556827115.db2.gz VSMKECFLQPDKEY-AREMUKBSSA-N 0 0 448.588 4.174 40 0 IIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccccc2OC)C1 ZINC000019591603 556827181 /nfs/dbraw/zinc/82/71/81/556827181.db2.gz KABJEMREYOPCCH-VWLOTQADSA-N 0 0 434.561 4.245 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2OC)C1 ZINC000019591600 556827213 /nfs/dbraw/zinc/82/72/13/556827213.db2.gz GIQGPDIOFHJOIS-RUZDIDTESA-N 0 0 434.561 4.245 40 0 IIABRN CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000019591571 556827220 /nfs/dbraw/zinc/82/72/20/556827220.db2.gz LZSXATUKQXRDBM-NDEPHWFRSA-N 0 0 441.575 4.241 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000006300486 556831894 /nfs/dbraw/zinc/83/18/94/556831894.db2.gz DHLNKMDMMLZBPJ-JOCHJYFZSA-N 0 0 435.593 4.201 40 0 IIABRN COCCCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000006300523 556832169 /nfs/dbraw/zinc/83/21/69/556832169.db2.gz MSXMRXRJSOYGOF-UHFFFAOYSA-N 0 0 429.611 4.120 40 0 IIABRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 ZINC000019635534 556834773 /nfs/dbraw/zinc/83/47/73/556834773.db2.gz QDEIAKPWLORLAV-MRVPVSSYSA-N 0 0 442.393 4.405 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000006973854 556840961 /nfs/dbraw/zinc/84/09/61/556840961.db2.gz AOBWBOGHGABQLF-UHFFFAOYSA-N 0 0 443.352 4.041 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCC(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1 ZINC000019687809 556842192 /nfs/dbraw/zinc/84/21/92/556842192.db2.gz VTKQXEIIZMZAKS-UHFFFAOYSA-N 0 0 439.519 4.052 40 0 IIABRN Cn1cc(-c2ccc([C@H]3CCCN3C(=O)CCc3nc4cc(Cl)ccc4n3C)nc2)cn1 ZINC000019688902 556843369 /nfs/dbraw/zinc/84/33/69/556843369.db2.gz SHMSPJRDEZHWDW-JOCHJYFZSA-N 0 0 448.958 4.319 40 0 IIABRN Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccnc1 ZINC000008672777 556844097 /nfs/dbraw/zinc/84/40/97/556844097.db2.gz YBMCIADJDUTHNT-HYBUGGRVSA-N 0 0 449.576 4.064 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)o1 ZINC000019690009 556845193 /nfs/dbraw/zinc/84/51/93/556845193.db2.gz FFIZVDLTAJERDF-GOSISDBHSA-N 0 0 425.920 4.445 40 0 IIABRN Cc1nccn1CCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019690025 556845200 /nfs/dbraw/zinc/84/52/00/556845200.db2.gz AXMMTIGFMGGZRY-HXUWFJFHSA-N 0 0 438.963 4.122 40 0 IIABRN Cc1nc(C)n(CCC(=O)N2CCC(c3cc(Cc4ccc(C)cc4)cc(C)n3)CC2)n1 ZINC000019691608 556847139 /nfs/dbraw/zinc/84/71/39/556847139.db2.gz JQVJNNZQVBYKCQ-UHFFFAOYSA-N 0 0 431.584 4.294 40 0 IIABRN Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3cnc(N)nc3C)CC2)n1 ZINC000019691545 556847171 /nfs/dbraw/zinc/84/71/71/556847171.db2.gz HIYHFGPFVSGPDF-UHFFFAOYSA-N 0 0 435.959 4.335 40 0 IIABRN CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 ZINC000019694236 556849634 /nfs/dbraw/zinc/84/96/34/556849634.db2.gz OSXBBLIYJLJVRU-SFHVURJKSA-N 0 0 440.563 4.140 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cs1 ZINC000019694222 556849654 /nfs/dbraw/zinc/84/96/54/556849654.db2.gz OMXXBGAIBDBWPG-INIZCTEOSA-N 0 0 439.560 4.062 40 0 IIABRN CN(C)c1ncc(-c2cccc(F)c2)c(C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000019695175 556851416 /nfs/dbraw/zinc/85/14/16/556851416.db2.gz DRPNZKFYECQEDE-UHFFFAOYSA-N 0 0 434.515 4.134 40 0 IIABRN CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(C2CCN(Cc3ncc[nH]3)CC2)n1 ZINC000019695245 556851738 /nfs/dbraw/zinc/85/17/38/556851738.db2.gz OTWNOXSHBMESRD-UHFFFAOYSA-N 0 0 430.478 4.331 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)CC2)o1 ZINC000019695296 556851844 /nfs/dbraw/zinc/85/18/44/556851844.db2.gz XJTCYABUGISFEE-UHFFFAOYSA-N 0 0 439.947 4.488 40 0 IIABRN Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3cc(=O)[nH]c4ccccc43)cc2)cc1 ZINC000008926497 556852243 /nfs/dbraw/zinc/85/22/43/556852243.db2.gz OVMDAMROEUQUTG-UHFFFAOYSA-N 0 0 440.455 4.129 40 0 IIABRN O=C(Cc1ccncc1)N1CCC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019695665 556852340 /nfs/dbraw/zinc/85/23/40/556852340.db2.gz XRBBYILZACZRCL-IBGZPJMESA-N 0 0 444.514 4.053 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019696082 556852995 /nfs/dbraw/zinc/85/29/95/556852995.db2.gz IEMLHLISKRHEDX-OAQYLSRUSA-N 0 0 447.583 4.059 40 0 IIABRN CN1CCO[C@H](c2c3ccccc3sc2C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000019696895 556853916 /nfs/dbraw/zinc/85/39/16/556853916.db2.gz SNGXAHOJTPNHTP-FQEVSTJZSA-N 0 0 439.556 4.006 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)N1CCC(c2nc(C)c3c(n2)N(CC2CC2)CCC3)CC1 ZINC000019705677 556862712 /nfs/dbraw/zinc/86/27/12/556862712.db2.gz IDLMWIQSDFYVJK-UHFFFAOYSA-N 0 0 437.588 4.387 40 0 IIABRN Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)CCC2 ZINC000019706248 556864484 /nfs/dbraw/zinc/86/44/84/556864484.db2.gz PDUFIFOQEITNOR-QHCPKHFHSA-N 0 0 444.583 4.147 40 0 IIABRN O=c1/c(=C\c2ccco2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408845654 556868889 /nfs/dbraw/zinc/86/88/89/556868889.db2.gz QTXSXRZONHGTFG-YJADQXIJSA-N 0 0 428.488 4.051 40 0 IIABRN Cc1nc([C@H]2CCCN2Cc2cccnc2N(C)C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711146 556875183 /nfs/dbraw/zinc/87/51/83/556875183.db2.gz ZWSHWCZJYJHVHQ-XMMPIXPASA-N 0 0 447.558 4.257 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)o1 ZINC000019711188 556875585 /nfs/dbraw/zinc/87/55/85/556875585.db2.gz FXPJXIXLKHVPSL-NRFANRHFSA-N 0 0 436.487 4.041 40 0 IIABRN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)nc32)c1 ZINC000019739383 556877704 /nfs/dbraw/zinc/87/77/04/556877704.db2.gz VVABAVKOMWDZLJ-OAQYLSRUSA-N 0 0 448.611 4.367 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)CC(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019739428 556877897 /nfs/dbraw/zinc/87/78/97/556877897.db2.gz YAIPZMPZSBRLHR-LJQANCHMSA-N 0 0 438.547 4.156 40 0 IIABRN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(C)n2)CC(=O)N3CC2CCCCC2)cn1 ZINC000019739769 556878779 /nfs/dbraw/zinc/87/87/79/556878779.db2.gz OYEVXWXAAXKGAO-QFIPXVFZSA-N 0 0 447.583 4.325 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(Oc3ccccc3)c2)nc2c1CC(=O)N2C ZINC000019739814 556879167 /nfs/dbraw/zinc/87/91/67/556879167.db2.gz SHVRNBJMPRHUCR-NRFANRHFSA-N 0 0 428.492 4.074 40 0 IIABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc([S@@](=O)Cc2ccccc2)s1 ZINC000072238641 556879939 /nfs/dbraw/zinc/87/99/39/556879939.db2.gz CWOLCQOYMLFZQF-KQGKVHGHSA-N 0 0 430.382 4.376 40 0 IIABRN Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(C(=O)C(C)(C)C)CC4)nc32)cc1 ZINC000019740144 556879959 /nfs/dbraw/zinc/87/99/59/556879959.db2.gz WMJQOWBLXNQLEO-UHFFFAOYSA-N 0 0 434.584 4.325 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CC1)C(=O)CC2 ZINC000019741205 556882903 /nfs/dbraw/zinc/88/29/03/556882903.db2.gz VLSKHTFOEVMJPF-OAQYLSRUSA-N 0 0 448.567 4.159 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)CCc2ccccc2F)nc2c1CCC(=O)N2CC(C)C ZINC000019741740 556884807 /nfs/dbraw/zinc/88/48/07/556884807.db2.gz GMOBJCAGBXEXEK-OAQYLSRUSA-N 0 0 438.547 4.156 40 0 IIABRN [NH3+][C@@H](Cc1ccccc1Cl)[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071613118 556887290 /nfs/dbraw/zinc/88/72/90/556887290.db2.gz KEMZDPCTOBHKHS-XZOQPEGZSA-N 0 0 435.907 4.266 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c1 ZINC000408910850 556887956 /nfs/dbraw/zinc/88/79/56/556887956.db2.gz LTKUAFPQEMTJAC-UHFFFAOYSA-N 0 0 430.913 4.467 40 0 IIABRN Cc1nn(-c2ccccc2)c2nc(C3CCN(C(=O)COC[C@H]4CCCCO4)CC3)ccc12 ZINC000019744634 556891031 /nfs/dbraw/zinc/89/10/31/556891031.db2.gz MJHOEQQCRLGSNV-JOCHJYFZSA-N 0 0 448.567 4.021 40 0 IIABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)CC2)cc1 ZINC000019744946 556891824 /nfs/dbraw/zinc/89/18/24/556891824.db2.gz BPJNVBOHASUFKA-ZDUSSCGKSA-N 0 0 447.461 4.041 40 0 IIABRN COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000408922545 556892161 /nfs/dbraw/zinc/89/21/61/556892161.db2.gz CACLKSPCTBMDOG-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN CC[C@H](C)NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408926613 556892219 /nfs/dbraw/zinc/89/22/19/556892219.db2.gz UUUIBTDYQWFRQU-AWEZNQCLSA-N 0 0 429.369 4.099 40 0 IIABRN CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1O ZINC000408930436 556894355 /nfs/dbraw/zinc/89/43/55/556894355.db2.gz XCALLQQXULGPAJ-WOJGMQOQSA-N 0 0 426.494 4.083 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753603 556897328 /nfs/dbraw/zinc/89/73/28/556897328.db2.gz RLLZJXGPFMHMNC-HXUWFJFHSA-N 0 0 435.915 4.453 40 0 IIABRN CCc1nn(C)c(C(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)c1C ZINC000019755904 556899186 /nfs/dbraw/zinc/89/91/86/556899186.db2.gz ONWYENCIWCJRPO-NRFANRHFSA-N 0 0 446.555 4.009 40 0 IIABRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000408961394 556900851 /nfs/dbraw/zinc/90/08/51/556900851.db2.gz SMOOXNJTASRUDM-QNGOZBTKSA-N 0 0 446.532 4.218 40 0 IIABRN CNc1cc(C(=O)N2CCC(Cc3cc(NCc4ccccc4F)nc(C)n3)CC2)ccn1 ZINC000019757697 556901663 /nfs/dbraw/zinc/90/16/63/556901663.db2.gz NOAVOSYFKIZPEQ-UHFFFAOYSA-N 0 0 448.546 4.068 40 0 IIABRN Cc1cc(C(=O)N2CCC3(C[C@@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)on1 ZINC000072327348 556904328 /nfs/dbraw/zinc/90/43/28/556904328.db2.gz TZEOIDYZAKRMJA-QHCPKHFHSA-N 0 0 438.915 4.143 40 0 IIABRN Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)o1 ZINC000019761249 556904543 /nfs/dbraw/zinc/90/45/43/556904543.db2.gz UPVLTJOEEQTWLG-HNNXBMFYSA-N 0 0 447.520 4.178 40 0 IIABRN CCc1cc(C(=O)N2CC[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)on1 ZINC000019761655 556905202 /nfs/dbraw/zinc/90/52/02/556905202.db2.gz CMGWCNNGDFSURN-CQSZACIVSA-N 0 0 447.520 4.124 40 0 IIABRN COc1ccccc1NC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000408975829 556905929 /nfs/dbraw/zinc/90/59/29/556905929.db2.gz OBJFRSWFVRMWBY-UHFFFAOYSA-N 0 0 429.457 4.358 40 0 IIABRN Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019762395 556906854 /nfs/dbraw/zinc/90/68/54/556906854.db2.gz FCMJERFIRXTYDP-RUZDIDTESA-N 0 0 449.599 4.341 40 0 IIABRN CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCCN(CC(=O)c3cc(C)sc3C)C2)C1 ZINC000072334281 556906873 /nfs/dbraw/zinc/90/68/73/556906873.db2.gz YRXMBGHOVXQECH-DEOSSOPVSA-N 0 0 426.582 4.132 40 0 IIABRN O=C(N1CCC2(C[C@](O)(c3ccc(F)cc3)CO2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000072335661 556908579 /nfs/dbraw/zinc/90/85/79/556908579.db2.gz OPXGUVPEIXRQDE-XMMPIXPASA-N 0 0 429.919 4.180 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)ncc1C(=O)NCc1ccccc1 ZINC000019764373 556908994 /nfs/dbraw/zinc/90/89/94/556908994.db2.gz NPTQTEOSAJWJRB-QHCPKHFHSA-N 0 0 446.526 4.150 40 0 IIABRN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc2c(cc1OC)CCCC2 ZINC000408985268 556909070 /nfs/dbraw/zinc/90/90/70/556909070.db2.gz AMHVUTRPLWTNLC-JOCHJYFZSA-N 0 0 435.524 4.351 40 0 IIABRN Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCCCCC3)nc2-c2cccs2)on1 ZINC000072337058 556909860 /nfs/dbraw/zinc/90/98/60/556909860.db2.gz IRQVXRUGRZSWGX-UHFFFAOYSA-N 0 0 426.542 4.164 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)nc1C ZINC000072345505 556916962 /nfs/dbraw/zinc/91/69/62/556916962.db2.gz UGNGGJIYILPRAV-NRFANRHFSA-N 0 0 426.536 4.093 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cc1 ZINC000072346076 556917338 /nfs/dbraw/zinc/91/73/38/556917338.db2.gz KPLZEIRCBHEBML-SFHVURJKSA-N 0 0 436.943 4.337 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cc1 ZINC000072346077 556917399 /nfs/dbraw/zinc/91/73/99/556917399.db2.gz KPLZEIRCBHEBML-GOSISDBHSA-N 0 0 436.943 4.337 40 0 IIABRN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000019817703 556920532 /nfs/dbraw/zinc/92/05/32/556920532.db2.gz YKPFANAKGPPYSL-JOCHJYFZSA-N 0 0 426.476 4.162 40 0 IIABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O ZINC000409020901 556922088 /nfs/dbraw/zinc/92/20/88/556922088.db2.gz VKASIEYHJXUOLV-BXUJETTOSA-N 0 0 429.469 4.393 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccs1 ZINC000019820503 556923852 /nfs/dbraw/zinc/92/38/52/556923852.db2.gz QIRHYAODIQKHQR-FGZHOGPDSA-N 0 0 445.544 4.456 40 0 IIABRN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409020138 556924362 /nfs/dbraw/zinc/92/43/62/556924362.db2.gz MELUFEYRCMKMKV-MOSHPQCFSA-N 0 0 441.411 4.077 40 0 IIABRN COc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409028690 556924853 /nfs/dbraw/zinc/92/48/53/556924853.db2.gz QHAZZQSUMDKYEC-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000409024198 556925321 /nfs/dbraw/zinc/92/53/21/556925321.db2.gz BITDLHKBDBLTLJ-UHFFFAOYSA-N 0 0 444.597 4.346 40 0 IIABRN COc1ccc2cc(C(=O)N3CCC[C@H](c4ccc(Nc5cnccn5)cn4)C3)n(C)c2c1 ZINC000072353380 556926500 /nfs/dbraw/zinc/92/65/00/556926500.db2.gz IRQZBZNCEMOMOK-SFHVURJKSA-N 0 0 442.523 4.135 40 0 IIABRN COc1ccc2cc(C(=O)N3CCC[C@@H](c4ccc(Nc5cnccn5)cn4)C3)n(C)c2c1 ZINC000072353381 556926524 /nfs/dbraw/zinc/92/65/24/556926524.db2.gz IRQZBZNCEMOMOK-GOSISDBHSA-N 0 0 442.523 4.135 40 0 IIABRN Cc1cccnc1Nc1ccc([C@@H]2CCCN(S(=O)(=O)CCc3ccccc3)C2)nc1 ZINC000072353488 556927054 /nfs/dbraw/zinc/92/70/54/556927054.db2.gz HQESZYPSKOEBSC-OAQYLSRUSA-N 0 0 436.581 4.281 40 0 IIABRN Cc1cccnc1Nc1ccc([C@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)nc1 ZINC000072353501 556927106 /nfs/dbraw/zinc/92/71/06/556927106.db2.gz OOZIATQFNLSFMZ-SFHVURJKSA-N 0 0 434.544 4.374 40 0 IIABRN Cc1cc(-c2cncnc2)cc([C@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)n1 ZINC000072353783 556928294 /nfs/dbraw/zinc/92/82/94/556928294.db2.gz XWIQKHBCTZJEOZ-IBGZPJMESA-N 0 0 433.531 4.219 40 0 IIABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)CCc3c(C)nc(N)nc3C)C2)n1 ZINC000072354205 556929336 /nfs/dbraw/zinc/92/93/36/556929336.db2.gz YGVKAZJQDKLQOJ-QHCPKHFHSA-N 0 0 443.595 4.309 40 0 IIABRN CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)N(C)C1=S ZINC000409043236 556929797 /nfs/dbraw/zinc/92/97/97/556929797.db2.gz YLVPFXWYMBSBBX-YBEGLDIGSA-N 0 0 435.318 4.197 40 0 IIABRN CN(C)c1ccc(C(=O)N2CCC(c3nc(C4CC4)[nH]c(=O)c3-c3ccccc3)CC2)cc1 ZINC000072354311 556929948 /nfs/dbraw/zinc/92/99/48/556929948.db2.gz KYVHBSVPSISNNE-UHFFFAOYSA-N 0 0 442.563 4.400 40 0 IIABRN CCOc1ccc(N2C(=O)/C(=C/c3cc(OCC)c(OC)cc3C)N(C)C2=S)cc1 ZINC000409047012 556931527 /nfs/dbraw/zinc/93/15/27/556931527.db2.gz SXQCGHQTUKJJSG-UYRXBGFRSA-N 0 0 426.538 4.405 40 0 IIABRN O=C(NC1CCCCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860566 556932879 /nfs/dbraw/zinc/93/28/79/556932879.db2.gz GWEYTFIGXVUQPR-GOSISDBHSA-N 0 0 427.010 4.111 40 0 IIABRN NC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1ccnc(N2CCCCC2)c1 ZINC000072370296 556934336 /nfs/dbraw/zinc/93/43/36/556934336.db2.gz FHIOUSMUVGDHGW-GOSISDBHSA-N 0 0 448.592 4.233 40 0 IIABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868467 556935256 /nfs/dbraw/zinc/93/52/56/556935256.db2.gz PWXONKDHBFZSBR-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868554 556935268 /nfs/dbraw/zinc/93/52/68/556935268.db2.gz QRHZMFZCPJYOKX-UHFFFAOYSA-N 0 0 445.343 4.313 40 0 IIABRN NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000072370733 556936360 /nfs/dbraw/zinc/93/63/60/556936360.db2.gz LVVJMWWTLCHZPB-HNNXBMFYSA-N 0 0 436.581 4.230 40 0 IIABRN O=C(c1ccccn1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371288 556937726 /nfs/dbraw/zinc/93/77/26/556937726.db2.gz WSGHVEJNYZPFGE-OAHLLOKOSA-N 0 0 430.430 4.075 40 0 IIABRN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)[nH]n2)cc1 ZINC000072371404 556938513 /nfs/dbraw/zinc/93/85/13/556938513.db2.gz YAPLXJUGZRUXKY-SFHVURJKSA-N 0 0 444.535 4.080 40 0 IIABRN Cc1cc(N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)nc(C)n1 ZINC000072371421 556938744 /nfs/dbraw/zinc/93/87/44/556938744.db2.gz KNAFBIYWZNKHPF-INIZCTEOSA-N 0 0 431.462 4.451 40 0 IIABRN Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)o1 ZINC000072371539 556939464 /nfs/dbraw/zinc/93/94/64/556939464.db2.gz OWOAREZNENAVNQ-HNNXBMFYSA-N 0 0 448.445 4.285 40 0 IIABRN CCn1ccnc1CN1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371755 556940944 /nfs/dbraw/zinc/94/09/44/556940944.db2.gz VYHIJSNTVALIBD-INIZCTEOSA-N 0 0 433.478 4.256 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2cccc(C)c2)cc1 ZINC000409076240 556944072 /nfs/dbraw/zinc/94/40/72/556944072.db2.gz AABDQOQJYDXCLY-UHFFFAOYSA-N 0 0 444.503 4.411 40 0 IIABRN COc1ccccc1OCc1nnc(SCc2nnc(-c3ccccc3OC)o2)o1 ZINC000019928540 556946386 /nfs/dbraw/zinc/94/63/86/556946386.db2.gz VHAZHCZQYQPTPE-UHFFFAOYSA-N 0 0 426.454 4.008 40 0 IIABRN Cc1cnc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)CCC3)cn1 ZINC000072373785 556946863 /nfs/dbraw/zinc/94/68/63/556946863.db2.gz JCCOVXCMWKVHST-QFIPXVFZSA-N 0 0 434.588 4.194 40 0 IIABRN Cc1cc(C)nc(Nc2ccc(C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nc2)n1 ZINC000072374180 556947451 /nfs/dbraw/zinc/94/74/51/556947451.db2.gz VXMLGIXMUWCXGK-UHFFFAOYSA-N 0 0 434.519 4.189 40 0 IIABRN Cc1[nH]c2cccc(C(=O)N3CCC[C@H](c4ccc(C(=O)NCC5CC5)cn4)C3)c2c1C ZINC000072374380 556947994 /nfs/dbraw/zinc/94/79/94/556947994.db2.gz NVRZEZGGFFBNTF-FQEVSTJZSA-N 0 0 430.552 4.339 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000019930587 556948379 /nfs/dbraw/zinc/94/83/79/556948379.db2.gz GCBXLHPOAYVUHN-UHFFFAOYSA-N 0 0 446.878 4.371 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCCC2)c(C)c1 ZINC000019931288 556948871 /nfs/dbraw/zinc/94/88/71/556948871.db2.gz ZMMQYYJQYQBOOH-QHCPKHFHSA-N 0 0 442.625 4.340 40 0 IIABRN COc1ccc([C@H](CC(=O)Nc2ccccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935870 556950905 /nfs/dbraw/zinc/95/09/05/556950905.db2.gz PLSYVQUPPGYWPI-QHCPKHFHSA-N 0 0 438.549 4.394 40 0 IIABRN Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CCn3c(=O)oc4ccccc43)n2)s1 ZINC000072375336 556951041 /nfs/dbraw/zinc/95/10/41/556951041.db2.gz SHADRXGUDCMZLP-QGZVFWFLSA-N 0 0 449.536 4.252 40 0 IIABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(Br)cc1F ZINC000019937630 556951394 /nfs/dbraw/zinc/95/13/94/556951394.db2.gz GLTUKPOYKICNLR-UHFFFAOYSA-N 0 0 436.668 4.173 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1 ZINC000019937981 556952045 /nfs/dbraw/zinc/95/20/45/556952045.db2.gz CFLQEZGHRZXAJZ-UHFFFAOYSA-N 0 0 446.475 4.116 40 0 IIABRN Cc1cccc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)Cc3ccccc3F)n2)n1 ZINC000072375713 556952555 /nfs/dbraw/zinc/95/25/55/556952555.db2.gz GTGOLFZVAIDVKZ-FQEVSTJZSA-N 0 0 426.517 4.335 40 0 IIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409103954 556952596 /nfs/dbraw/zinc/95/25/96/556952596.db2.gz HXKDKOHIPHWIKG-XLTHYULKSA-N 0 0 438.480 4.427 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375683 556952662 /nfs/dbraw/zinc/95/26/62/556952662.db2.gz WQQHNNQSZSFHGG-SFHVURJKSA-N 0 0 442.516 4.202 40 0 IIABRN CCc1nnc(Nc2cccc([C@@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)n2)s1 ZINC000072375949 556953502 /nfs/dbraw/zinc/95/35/02/556953502.db2.gz SZUWLSXWPLMYRU-OAHLLOKOSA-N 0 0 440.548 4.196 40 0 IIABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC ZINC000409098432 556954046 /nfs/dbraw/zinc/95/40/46/556954046.db2.gz QGOUYANTIRSOLC-BVLLQVSASA-N 0 0 427.906 4.124 40 0 IIABRN COc1cc(OC)c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409099384 556954734 /nfs/dbraw/zinc/95/47/34/556954734.db2.gz RAKZGCRLUYCAJV-VGOFMYFVSA-N 0 0 437.677 4.217 40 0 IIABRN CCc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N ZINC000409100479 556955174 /nfs/dbraw/zinc/95/51/74/556955174.db2.gz NVWAKIPGMNTFMK-UHFFFAOYSA-N 0 0 446.374 4.023 40 0 IIABRN CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Cl ZINC000409101933 556956078 /nfs/dbraw/zinc/95/60/78/556956078.db2.gz BYAFUQZKRYRUPH-LICLKQGHSA-N 0 0 448.306 4.232 40 0 IIABRN COC(=O)c1c(C)nc2ccn(-c3cc(OC)ccc3OC)c(=O)c2c1-c1ccccc1 ZINC000019962836 556956124 /nfs/dbraw/zinc/95/61/24/556956124.db2.gz WKIIVMPLEJAHGD-UHFFFAOYSA-N 0 0 430.460 4.165 40 0 IIABRN COC(=O)c1c(C)nc2ccn(-c3ccc(NC(C)=O)cc3)c(=O)c2c1-c1ccccc1 ZINC000019962820 556956169 /nfs/dbraw/zinc/95/61/69/556956169.db2.gz KJRITCRQFZRZCP-UHFFFAOYSA-N 0 0 427.460 4.106 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1C ZINC000072379943 556956953 /nfs/dbraw/zinc/95/69/53/556956953.db2.gz SPEUONYDZWGXHM-LJQANCHMSA-N 0 0 437.569 4.109 40 0 IIABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072379173 556956956 /nfs/dbraw/zinc/95/69/56/556956956.db2.gz BATUBIDSOMQHBX-KRWDZBQOSA-N 0 0 428.533 4.098 40 0 IIABRN CCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409109869 556957142 /nfs/dbraw/zinc/95/71/42/556957142.db2.gz NAEUXVIOQYSPEM-UHFFFAOYSA-N 0 0 429.369 4.413 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(F)c2)c(C)c1 ZINC000020004464 556957970 /nfs/dbraw/zinc/95/79/70/556957970.db2.gz DHCNECWOXRLSSJ-JOCHJYFZSA-N 0 0 440.540 4.279 40 0 IIABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)cc(I)c1O ZINC000409113233 556958089 /nfs/dbraw/zinc/95/80/89/556958089.db2.gz HEAFYVNWNBVISL-ZROIWOOFSA-N 0 0 435.261 4.303 40 0 IIABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)cc1 ZINC000409108129 556959591 /nfs/dbraw/zinc/95/95/91/556959591.db2.gz VPDVMDYHXKOCJM-UDWIEESQSA-N 0 0 435.505 4.252 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000409116651 556959901 /nfs/dbraw/zinc/95/99/01/556959901.db2.gz OJUHOXXIPROBEW-UHFFFAOYSA-N 0 0 438.549 4.108 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2ccccc2)cc1 ZINC000020010369 556960111 /nfs/dbraw/zinc/96/01/11/556960111.db2.gz GNECVWPPGSYSMB-UHFFFAOYSA-N 0 0 430.476 4.103 40 0 IIABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O ZINC000409117029 556960187 /nfs/dbraw/zinc/96/01/87/556960187.db2.gz MWBIFDRTWIIYDF-MHWRWJLKSA-N 0 0 449.326 4.228 40 0 IIABRN Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000072390227 556960214 /nfs/dbraw/zinc/96/02/14/556960214.db2.gz LQWOTIWCCNTLMS-MLGOLLRUSA-N 0 0 449.477 4.406 40 0 IIABRN Cc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000072390226 556960223 /nfs/dbraw/zinc/96/02/23/556960223.db2.gz LQWOTIWCCNTLMS-LRDDRELGSA-N 0 0 449.477 4.406 40 0 IIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)CCn2cc(C)cn2)C1 ZINC000072390287 556960576 /nfs/dbraw/zinc/96/05/76/556960576.db2.gz XGXXKPISFOTICZ-CQSZACIVSA-N 0 0 435.450 4.105 40 0 IIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)[C@H](C)n2nccc2C)C1 ZINC000072390292 556960590 /nfs/dbraw/zinc/96/05/90/556960590.db2.gz WTPKEPNDTSMQGV-KBPBESRZSA-N 0 0 435.450 4.276 40 0 IIABRN CCCc1sc2nc(SCC(=O)OCC)n(-c3ccc(OC)cc3)c(=O)c2c1C ZINC000409118677 556960681 /nfs/dbraw/zinc/96/06/81/556960681.db2.gz PBRNFUSKBYARIV-UHFFFAOYSA-N 0 0 432.567 4.372 40 0 IIABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)CCc2cc(OC)no2)n1 ZINC000072390647 556961057 /nfs/dbraw/zinc/96/10/57/556961057.db2.gz DMOKYZXBHJRJOD-FQEVSTJZSA-N 0 0 435.528 4.174 40 0 IIABRN CSc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000020013541 556961126 /nfs/dbraw/zinc/96/11/26/556961126.db2.gz LGRQJGHZMFUDBE-MRXNPFEDSA-N 0 0 428.579 4.060 40 0 IIABRN CCCc1sc2nc(SCC(=O)N3CCCC3)n(-c3ccccc3)c(=O)c2c1C ZINC000409120424 556961358 /nfs/dbraw/zinc/96/13/58/556961358.db2.gz VUSGJVLMIBOBFN-UHFFFAOYSA-N 0 0 427.595 4.423 40 0 IIABRN CCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020014711 556961618 /nfs/dbraw/zinc/96/16/18/556961618.db2.gz YUKJKXZFDHMRFX-GOSISDBHSA-N 0 0 441.380 4.198 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)c1 ZINC000020020252 556964602 /nfs/dbraw/zinc/96/46/02/556964602.db2.gz CCSRYTWYVGEXIF-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000020024050 556966333 /nfs/dbraw/zinc/96/63/33/556966333.db2.gz KQZMIEFNEALVOR-VWLOTQADSA-N 0 0 448.588 4.292 40 0 IIABRN COc1ccc(CCCC(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c(C)c1 ZINC000072395348 556966701 /nfs/dbraw/zinc/96/67/01/556966701.db2.gz DGXDCLBYDMMICB-QGZVFWFLSA-N 0 0 443.498 4.108 40 0 IIABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000020024939 556966830 /nfs/dbraw/zinc/96/68/30/556966830.db2.gz FPXZLCAOAIFHLV-OAHLLOKOSA-N 0 0 436.961 4.014 40 0 IIABRN CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)c2ccccc2)C1 ZINC000072395940 556968323 /nfs/dbraw/zinc/96/83/23/556968323.db2.gz TYWJFXOMAIWCAB-SANMLTNESA-N 0 0 431.536 4.251 40 0 IIABRN CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)CCc2ccccc2)C1 ZINC000072395981 556968541 /nfs/dbraw/zinc/96/85/41/556968541.db2.gz PHCXCAHOKIPVCB-HHHXNRCGSA-N 0 0 445.563 4.214 40 0 IIABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000409136090 556969407 /nfs/dbraw/zinc/96/94/07/556969407.db2.gz WVJGMFJWNUFHRR-NSHDSACASA-N 0 0 441.698 4.182 40 0 IIABRN CC(C)N1C(=O)S/C(=C\c2cn(CC(=O)NCc3ccccc3)c3ccccc23)C1=O ZINC000409137260 556970197 /nfs/dbraw/zinc/97/01/97/556970197.db2.gz WFVLGUKHUBELDD-MTJSOVHGSA-N 0 0 433.533 4.402 40 0 IIABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)c1C ZINC000409138719 556970739 /nfs/dbraw/zinc/97/07/39/556970739.db2.gz HBBRHTMDPKNICJ-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1c(Cl)cccc1Cl ZINC000409149700 556974547 /nfs/dbraw/zinc/97/45/47/556974547.db2.gz NXAZDGVFFUEFOQ-UHFFFAOYSA-N 0 0 428.124 4.217 40 0 IIABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000020049804 556974584 /nfs/dbraw/zinc/97/45/84/556974584.db2.gz UZMGURGZCPLPBF-XSFVSMFZSA-N 0 0 440.521 4.154 40 0 IIABRN COc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)cc1 ZINC000409151107 556974983 /nfs/dbraw/zinc/97/49/83/556974983.db2.gz GIDBMKMOXOKHDP-UHFFFAOYSA-N 0 0 425.510 4.311 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCSCc1ccccc1 ZINC000020061625 556976080 /nfs/dbraw/zinc/97/60/80/556976080.db2.gz ZOOYNSCYHOCGGV-UHFFFAOYSA-N 0 0 446.638 4.223 40 0 IIABRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O ZINC000409158042 556977472 /nfs/dbraw/zinc/97/74/72/556977472.db2.gz JYCQDLXBIXGIFK-CXUHLZMHSA-N 0 0 447.310 4.138 40 0 IIABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)c(OC)c3)C2=O)cc1 ZINC000409155754 556979691 /nfs/dbraw/zinc/97/96/91/556979691.db2.gz MPWPWAFBNRWDCS-XDHOZWIPSA-N 0 0 426.494 4.077 40 0 IIABRN COc1cccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4scnc4C)o3)CC2)c1OC ZINC000257216006 556981277 /nfs/dbraw/zinc/98/12/77/556981277.db2.gz CSQVCNHNIZMPFT-SHTZXODSSA-N 0 0 442.541 4.223 40 0 IIABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000020105598 556982223 /nfs/dbraw/zinc/98/22/23/556982223.db2.gz APKQHAPWKNSWAT-DEOSSOPVSA-N 0 0 442.625 4.440 40 0 IIABRN COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000409172195 556983944 /nfs/dbraw/zinc/98/39/44/556983944.db2.gz CULVACUANMKGNC-UHFFFAOYSA-N 0 0 440.521 4.090 40 0 IIABRN Cc1ccc([C@H](NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020110241 556985054 /nfs/dbraw/zinc/98/50/54/556985054.db2.gz IXZPKYZGHXYPMH-HSZRJFAPSA-N 0 0 442.968 4.320 40 0 IIABRN CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COc2ccccc2)CC1 ZINC000257242622 556986814 /nfs/dbraw/zinc/98/68/14/556986814.db2.gz IDJJIUCLYNIMAZ-QAQDUYKDSA-N 0 0 437.565 4.125 40 0 IIABRN C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(Cl)cc1Cl)[C@@]2(O)C(F)(F)F ZINC000409178337 556987077 /nfs/dbraw/zinc/98/70/77/556987077.db2.gz KYOUMYQNAFFZPV-RBIVETJNSA-N 0 0 425.234 4.258 40 0 IIABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(C)cc3)cc2)N2NC=NC2=N1 ZINC000409179690 556987730 /nfs/dbraw/zinc/98/77/30/556987730.db2.gz RPUOKKULRZGDHW-HSZRJFAPSA-N 0 0 432.524 4.451 40 0 IIABRN CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000257259826 556990288 /nfs/dbraw/zinc/99/02/88/556990288.db2.gz LAFHVLDFRSAQKH-SHTZXODSSA-N 0 0 439.585 4.206 40 0 IIABRN CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000409184282 556990702 /nfs/dbraw/zinc/99/07/02/556990702.db2.gz WRNMLGSWVXFRBD-UHFFFAOYSA-N 0 0 431.444 4.212 40 0 IIABRN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000409192244 556992227 /nfs/dbraw/zinc/99/22/27/556992227.db2.gz BTVJSYHBRFHVSH-ZRDIBKRKSA-N 0 0 446.912 4.072 40 0 IIABRN CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)Cc3ccccn3)CC2)nc2ccccc21 ZINC000257274032 556992520 /nfs/dbraw/zinc/99/25/20/556992520.db2.gz NJGKCMBYUKWEEL-MXVIHJGJSA-N 0 0 444.579 4.401 40 0 IIABRN COc1cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)ccc1-c1ccc(CO)o1 ZINC000020152908 556992654 /nfs/dbraw/zinc/99/26/54/556992654.db2.gz CFQIVDHEKYTYKQ-UHFFFAOYSA-N 0 0 440.521 4.362 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000409193703 556992996 /nfs/dbraw/zinc/99/29/96/556992996.db2.gz KXHRDGMOQKBULY-UHFFFAOYSA-N 0 0 444.940 4.144 40 0 IIABRN CO[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)C1 ZINC000257292909 556999564 /nfs/dbraw/zinc/99/95/64/556999564.db2.gz QNLGZSHIPIDKTR-LWYYNNOASA-N 0 0 426.561 4.344 40 0 IIABRN COc1cccc2[nH]c(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5cnc(C)cn5)o4)CC3)cc21 ZINC000257299743 557000625 /nfs/dbraw/zinc/00/06/25/557000625.db2.gz RRJJZVPBQCUDRV-WKILWMFISA-N 0 0 446.511 4.029 40 0 IIABRN CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O ZINC000409203778 557002618 /nfs/dbraw/zinc/00/26/18/557002618.db2.gz XYMHPUQQMBJJLE-MOSHPQCFSA-N 0 0 442.512 4.357 40 0 IIABRN CCN(CC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(OC)cc1 ZINC000409209854 557004278 /nfs/dbraw/zinc/00/42/78/557004278.db2.gz GKRRHFBKKIBRKS-UHFFFAOYSA-N 0 0 431.583 4.033 40 0 IIABRN COc1ccc(Br)cc1C=C1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000409218944 557012866 /nfs/dbraw/zinc/01/28/66/557012866.db2.gz LVGVABIXCPYOSJ-LICLKQGHSA-N 0 0 432.295 4.377 40 0 IIABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2F)cc1)c1ccccc1 ZINC000409221043 557016439 /nfs/dbraw/zinc/01/64/39/557016439.db2.gz JWAFKRRRSYVJHG-QGZVFWFLSA-N 0 0 426.513 4.437 40 0 IIABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000409238762 557020067 /nfs/dbraw/zinc/02/00/67/557020067.db2.gz FNHFZEXSRCCFIU-UHFFFAOYSA-N 0 0 428.941 4.390 40 0 IIABRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)o2)c1 ZINC000409240333 557021540 /nfs/dbraw/zinc/02/15/40/557021540.db2.gz GROMUSHSQDKOIR-FYJGNVAPSA-N 0 0 430.460 4.443 40 0 IIABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 ZINC000409231264 557022876 /nfs/dbraw/zinc/02/28/76/557022876.db2.gz IWYGCHHKVYWWDS-FQEVSTJZSA-N 0 0 436.577 4.317 40 0 IIABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O ZINC000409235217 557026265 /nfs/dbraw/zinc/02/62/65/557026265.db2.gz YYRZVKNZFCAMRV-XDHOZWIPSA-N 0 0 441.915 4.221 40 0 IIABRN CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409249209 557029840 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CCOc1ccccc1CNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000222549446 557349870 /nfs/dbraw/zinc/34/98/70/557349870.db2.gz BUMYFXBUGVHAML-UHFFFAOYSA-N 0 0 438.549 4.149 40 0 IIABRN Cc1ccccc1N(CCCC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O ZINC000222551581 557350201 /nfs/dbraw/zinc/35/02/01/557350201.db2.gz AHDOOQHNWLCLLT-UHFFFAOYSA-N 0 0 441.018 4.103 40 0 IIABRN Cc1cccc(C)c1N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000044791578 557351231 /nfs/dbraw/zinc/35/12/31/557351231.db2.gz UEFDWNHAZOVUPX-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C ZINC000222556233 557351263 /nfs/dbraw/zinc/35/12/63/557351263.db2.gz CQIAAZGSPVHXKJ-AUSIDOKSSA-N 0 0 440.584 4.413 40 0 IIABRN Cc1ccccc1N(CCCC(=O)NCCCc1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000222561349 557352297 /nfs/dbraw/zinc/35/22/97/557352297.db2.gz QFDCZRNIUKDJQH-UHFFFAOYSA-N 0 0 446.613 4.077 40 0 IIABRN Cc1ccc2c(c1)[C@@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)CC(C)(C)O2 ZINC000222562764 557352542 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438.930 4.408 40 0 IIABRN COc1cccc(N(CCCC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000222595866 557358295 /nfs/dbraw/zinc/35/82/95/557358295.db2.gz WIZMRGZGHPSABO-UHFFFAOYSA-N 0 0 446.569 4.202 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)NC1CCCCCCC1)c1cccc(C(F)(F)F)c1 ZINC000222625954 557364697 /nfs/dbraw/zinc/36/46/97/557364697.db2.gz XZAHLHOQBLYEAB-UHFFFAOYSA-N 0 0 434.524 4.481 40 0 IIABRN Cc1cccc(N(CCCC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1C ZINC000222631347 557365549 /nfs/dbraw/zinc/36/55/49/557365549.db2.gz PKAXVWXINDWCLR-UHFFFAOYSA-N 0 0 426.648 4.032 40 0 IIABRN Cc1cccc(N(CCCC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000222634864 557366137 /nfs/dbraw/zinc/36/61/37/557366137.db2.gz WLNWTQACEQUCOD-UHFFFAOYSA-N 0 0 437.005 4.252 40 0 IIABRN CCc1ccc(N(CCCC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000222639774 557367042 /nfs/dbraw/zinc/36/70/42/557367042.db2.gz LJYNVSSBLUYCIN-UHFFFAOYSA-N 0 0 428.476 4.453 40 0 IIABRN CCc1ccc(N(CCCC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000222640669 557367382 /nfs/dbraw/zinc/36/73/82/557367382.db2.gz SGDUZRIFZWODQU-UHFFFAOYSA-N 0 0 434.627 4.012 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000222670039 557371327 /nfs/dbraw/zinc/37/13/27/557371327.db2.gz PZHVGCZGXAOTMN-FQEVSTJZSA-N 0 0 444.597 4.268 40 0 IIABRN COc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222704555 557376596 /nfs/dbraw/zinc/37/65/96/557376596.db2.gz IBTJWZWPMZSOMW-IBGZPJMESA-N 0 0 440.584 4.277 40 0 IIABRN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113893297 557378879 /nfs/dbraw/zinc/37/88/79/557378879.db2.gz JHJXAGJLDCDYBY-UHFFFAOYSA-N 0 0 438.716 4.024 40 0 IIABRN CC(C)Oc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000113938280 557379378 /nfs/dbraw/zinc/37/93/78/557379378.db2.gz IMDNOZVJVMCVTJ-UHFFFAOYSA-N 0 0 438.549 4.229 40 0 IIABRN CN(c1ccc(C(=O)NCCCc2ccco2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113936266 557379447 /nfs/dbraw/zinc/37/94/47/557379447.db2.gz IWYQLFOOSUJYBL-UHFFFAOYSA-N 0 0 432.929 4.121 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000113956293 557381313 /nfs/dbraw/zinc/38/13/13/557381313.db2.gz PFBRNHPXDJFTEO-FQEVSTJZSA-N 0 0 438.977 4.162 40 0 IIABRN COc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222740592 557381679 /nfs/dbraw/zinc/38/16/79/557381679.db2.gz MSWSQRCPMSZHBR-LJQANCHMSA-N 0 0 440.584 4.277 40 0 IIABRN CC[C@H](NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000113962038 557382326 /nfs/dbraw/zinc/38/23/26/557382326.db2.gz SQVIEGBFFJRBPU-NRFANRHFSA-N 0 0 432.586 4.126 40 0 IIABRN O=C(c1no[n+]([O-])c1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000013633985 557383781 /nfs/dbraw/zinc/38/37/81/557383781.db2.gz ZGWHDQBWWAZCRT-UHFFFAOYSA-N 0 0 432.046 4.384 40 0 IIABRN CCN1CCN(C(=O)c2scnc2C)[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000072351489 557385667 /nfs/dbraw/zinc/38/56/67/557385667.db2.gz BIEUQHUPBPQJRO-OAQYLSRUSA-N 0 0 449.576 4.043 40 0 IIABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072354711 557387412 /nfs/dbraw/zinc/38/74/12/557387412.db2.gz HJCSWQSIUBHKDZ-IBGZPJMESA-N 0 0 442.441 4.487 40 0 IIABRN COc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-c3cccc(NC(C)=O)c3)C2)cc1 ZINC000072358919 557387798 /nfs/dbraw/zinc/38/77/98/557387798.db2.gz LIFOXJOEBVKHQF-OAQYLSRUSA-N 0 0 444.535 4.059 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000222802292 557388144 /nfs/dbraw/zinc/38/81/44/557388144.db2.gz ZLWCDSBNFUPLRD-UHFFFAOYSA-N 0 0 430.957 4.356 40 0 IIABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(OC)c2)cc1 ZINC000072377029 557389110 /nfs/dbraw/zinc/38/91/10/557389110.db2.gz BSJJBPMMEDDPTE-JOCHJYFZSA-N 0 0 432.524 4.039 40 0 IIABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CCOc2ccccc2)c1 ZINC000072377277 557389390 /nfs/dbraw/zinc/38/93/90/557389390.db2.gz AIBMHGYEOJJDDJ-QFIPXVFZSA-N 0 0 432.524 4.257 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000222839723 557392401 /nfs/dbraw/zinc/39/24/01/557392401.db2.gz 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CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222886365 557398226 /nfs/dbraw/zinc/39/82/26/557398226.db2.gz ZLLSMHJYOBSBAX-GOSISDBHSA-N 0 0 444.547 4.109 40 0 IIABRN C[C@H](O)CN(Cc1nc2ccccc2n1Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000013991912 557400096 /nfs/dbraw/zinc/40/00/96/557400096.db2.gz UKUWXSKVBWDBIN-IBGZPJMESA-N 0 0 429.520 4.196 40 0 IIABRN CSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1NC(C)=O ZINC000222914016 557402027 /nfs/dbraw/zinc/40/20/27/557402027.db2.gz DMLGRJZLBVPXEG-UHFFFAOYSA-N 0 0 426.563 4.435 40 0 IIABRN COc1ccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1OC ZINC000222940468 557406003 /nfs/dbraw/zinc/40/60/03/557406003.db2.gz SJYWBXZVDDTPAS-XLNRJJMWSA-N 0 0 448.519 4.125 40 0 IIABRN COc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000222947726 557407213 /nfs/dbraw/zinc/40/72/13/557407213.db2.gz SOVPYFPQOGQUFD-UHFFFAOYSA-N 0 0 442.924 4.352 40 0 IIABRN Cc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000222978664 557410537 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CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000014126552 557420923 /nfs/dbraw/zinc/42/09/23/557420923.db2.gz AMJBLCQUPRBPFA-UHFFFAOYSA-N 0 0 426.542 4.233 40 0 IIABRN COc1cccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223050144 557421197 /nfs/dbraw/zinc/42/11/97/557421197.db2.gz BUEAKQJHTUXFOT-HXUWFJFHSA-N 0 0 440.584 4.331 40 0 IIABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Br)c3)o2)c1 ZINC000012674555 557422663 /nfs/dbraw/zinc/42/26/63/557422663.db2.gz FHEGUGYHMIJBAK-UHFFFAOYSA-N 0 0 434.315 4.450 40 0 IIABRN CCOc1cc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)ccc1OC ZINC000223057232 557422898 /nfs/dbraw/zinc/42/28/98/557422898.db2.gz KPLQVTRCQSQDME-QNGOZBTKSA-N 0 0 434.492 4.083 40 0 IIABRN COC(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000014137175 557423030 /nfs/dbraw/zinc/42/30/30/557423030.db2.gz FZQDHTNHDGOYHO-UHFFFAOYSA-N 0 0 437.308 4.296 40 0 IIABRN CCn1c(SCC(=O)Nc2cc(C(=O)OC)ccc2Cl)nnc1-c1ccccc1 ZINC000014152536 557423648 /nfs/dbraw/zinc/42/36/48/557423648.db2.gz ZNQQHVMXRWYMDQ-UHFFFAOYSA-N 0 0 430.917 4.136 40 0 IIABRN COc1ccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223061361 557423732 /nfs/dbraw/zinc/42/37/32/557423732.db2.gz PKZNZDODIHBUQQ-GOSISDBHSA-N 0 0 428.598 4.260 40 0 IIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000223080328 557427711 /nfs/dbraw/zinc/42/77/11/557427711.db2.gz GTTDHKHCORFIHC-QFIPXVFZSA-N 0 0 444.597 4.142 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223084843 557428712 /nfs/dbraw/zinc/42/87/12/557428712.db2.gz OOWUSKLDTBJXDB-HXUWFJFHSA-N 0 0 440.584 4.278 40 0 IIABRN CC[C@H](C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2)N(c1ccccc1)S(C)(=O)=O ZINC000223086520 557429194 /nfs/dbraw/zinc/42/91/94/557429194.db2.gz XHLYEQFNOPEXSC-XZOQPEGZSA-N 0 0 428.598 4.378 40 0 IIABRN CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223089673 557429679 /nfs/dbraw/zinc/42/96/79/557429679.db2.gz HZFZIAQLZIPFPQ-QFIPXVFZSA-N 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ZINC000014291122 557434036 /nfs/dbraw/zinc/43/40/36/557434036.db2.gz JRUYISOGCYKBCY-UHFFFAOYSA-N 0 0 429.948 4.296 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)c1 ZINC000014398397 557436322 /nfs/dbraw/zinc/43/63/22/557436322.db2.gz SIXOURROPCFIKJ-MRXNPFEDSA-N 0 0 428.485 4.341 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000223130969 557436355 /nfs/dbraw/zinc/43/63/55/557436355.db2.gz IWRDLXGUNUADSK-RUZDIDTESA-N 0 0 444.575 4.458 40 0 IIABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 ZINC000014399699 557436755 /nfs/dbraw/zinc/43/67/55/557436755.db2.gz FBPZTJCNUIIDDT-UHFFFAOYSA-N 0 0 439.375 4.251 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000223177040 557441946 /nfs/dbraw/zinc/44/19/46/557441946.db2.gz BFXNKUMDHFVISK-RUZDIDTESA-N 0 0 432.539 4.453 40 0 IIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1c(F)cccc1F ZINC000014411135 557444353 /nfs/dbraw/zinc/44/43/53/557444353.db2.gz ZMGBWQHCXCPVFE-UHFFFAOYSA-N 0 0 436.867 4.452 40 0 IIABRN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000223194650 557444479 /nfs/dbraw/zinc/44/44/79/557444479.db2.gz CXNQXMQPUSUKFB-MRXNPFEDSA-N 0 0 447.000 4.494 40 0 IIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 ZINC000223198642 557444876 /nfs/dbraw/zinc/44/48/76/557444876.db2.gz GKAJUWIRGUJXRU-HZPDHXFCSA-N 0 0 449.364 4.463 40 0 IIABRN COc1ccc2c(c1)[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)CC(C)(C)O2 ZINC000223204394 557445771 /nfs/dbraw/zinc/44/57/71/557445771.db2.gz MLDLRPCYRAJOES-GYZZIOIESA-N 0 0 446.503 4.478 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl ZINC000014400750 557446198 /nfs/dbraw/zinc/44/61/98/557446198.db2.gz OTHAITFIPIMKCR-UHFFFAOYSA-N 0 0 437.295 4.457 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223236474 557449449 /nfs/dbraw/zinc/44/94/49/557449449.db2.gz IBLZVFHBTVFSTO-MBSDFSHPSA-N 0 0 428.598 4.214 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000223270479 557454161 /nfs/dbraw/zinc/45/41/61/557454161.db2.gz CZQZRJPEABIVAU-VWLOTQADSA-N 0 0 432.539 4.453 40 0 IIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1Cc1cccnc1 ZINC000223298393 557456844 /nfs/dbraw/zinc/45/68/44/557456844.db2.gz HUTGZLYOFMOKRC-ZTCOLXNVSA-N 0 0 447.608 4.095 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000015014861 557456974 /nfs/dbraw/zinc/45/69/74/557456974.db2.gz UTNYHWUCFLIYOB-UHFFFAOYSA-N 0 0 440.924 4.305 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000223302909 557457275 /nfs/dbraw/zinc/45/72/75/557457275.db2.gz FADGXUQMUPMOBE-QGZVFWFLSA-N 0 0 430.570 4.002 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223325698 557459269 /nfs/dbraw/zinc/45/92/69/557459269.db2.gz JELOYASVOCYQDX-SFHVURJKSA-N 0 0 427.303 4.065 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223345559 557460900 /nfs/dbraw/zinc/46/09/00/557460900.db2.gz LFEJAZVMVRJPEF-SFHVURJKSA-N 0 0 440.540 4.461 40 0 IIABRN COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223355965 557461809 /nfs/dbraw/zinc/46/18/09/557461809.db2.gz QIUAEKQWTKTGHK-AREMUKBSSA-N 0 0 430.548 4.152 40 0 IIABRN CCn1c2cc(Cl)c(S(=O)(=O)NCc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000223360536 557462477 /nfs/dbraw/zinc/46/24/77/557462477.db2.gz VMMXEQVVVXJWFU-UHFFFAOYSA-N 0 0 435.716 4.053 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC ZINC000223360810 557462494 /nfs/dbraw/zinc/46/24/94/557462494.db2.gz MJIOKXXPHJSNNM-IBGZPJMESA-N 0 0 446.975 4.450 40 0 IIABRN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015657301 557463457 /nfs/dbraw/zinc/46/34/57/557463457.db2.gz PJXFNLOHFZHGCP-UHFFFAOYSA-N 0 0 438.549 4.278 40 0 IIABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1C(C)C ZINC000223374628 557464294 /nfs/dbraw/zinc/46/42/94/557464294.db2.gz KVPSCJYGEVQUJP-MRXNPFEDSA-N 0 0 430.570 4.076 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1ccccc1 ZINC000223377298 557464894 /nfs/dbraw/zinc/46/48/94/557464894.db2.gz PLWNFUNESPECHH-ZEQRLZLVSA-N 0 0 425.561 4.499 40 0 IIABRN C[C@H](NC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1 ZINC000223394346 557466300 /nfs/dbraw/zinc/46/63/00/557466300.db2.gz MGTJPMPXNSJDCO-SFHVURJKSA-N 0 0 440.590 4.481 40 0 IIABRN COc1ccccc1NC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000223395586 557466493 /nfs/dbraw/zinc/46/64/93/557466493.db2.gz DCSLIZSYIGRVQJ-UHFFFAOYSA-N 0 0 442.562 4.251 40 0 IIABRN COc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000015935928 557467317 /nfs/dbraw/zinc/46/73/17/557467317.db2.gz CUUMKYKJDBDYEW-XMMPIXPASA-N 0 0 444.535 4.322 40 0 IIABRN CCOc1cc(C(=O)Nc2ccccc2F)cc(I)c1OCC ZINC000033627884 557469584 /nfs/dbraw/zinc/46/95/84/557469584.db2.gz IRRWMNVDMBMQTI-UHFFFAOYSA-N 0 0 429.229 4.480 40 0 IIABRN CCC1(CC)C[C@@H](NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223439796 557472285 /nfs/dbraw/zinc/47/22/85/557472285.db2.gz OXZOJURBJGJYPI-OAQYLSRUSA-N 0 0 444.597 4.268 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1cccnc1 ZINC000223448508 557472957 /nfs/dbraw/zinc/47/29/57/557472957.db2.gz AHUSJIUNSWNSOW-IAGOWNOFSA-N 0 0 431.384 4.473 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1cccnc1 ZINC000223448455 557472960 /nfs/dbraw/zinc/47/29/60/557472960.db2.gz AHUSJIUNSWNSOW-DLBZAZTESA-N 0 0 431.384 4.473 40 0 IIABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)nc1 ZINC000223451500 557473190 /nfs/dbraw/zinc/47/31/90/557473190.db2.gz DUNJWAPJDWALAF-PKTZIBPZSA-N 0 0 426.549 4.143 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1 ZINC000223450941 557473318 /nfs/dbraw/zinc/47/33/18/557473318.db2.gz KJVRQVANDGLSEU-RUZDIDTESA-N 0 0 448.538 4.289 40 0 IIABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)c1 ZINC000223459566 557474727 /nfs/dbraw/zinc/47/47/27/557474727.db2.gz NUIRRAUWMRIPNN-OAQYLSRUSA-N 0 0 442.625 4.339 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223460579 557474899 /nfs/dbraw/zinc/47/48/99/557474899.db2.gz RGWWRYKYTOTLTG-SFHVURJKSA-N 0 0 446.588 4.401 40 0 IIABRN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223466650 557475147 /nfs/dbraw/zinc/47/51/47/557475147.db2.gz NVRFCNZXZADUJW-GOSISDBHSA-N 0 0 442.503 4.183 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000223467389 557475332 /nfs/dbraw/zinc/47/53/32/557475332.db2.gz KYGRGSWJRBYBSY-HXUWFJFHSA-N 0 0 426.557 4.024 40 0 IIABRN COCc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000223470706 557475823 /nfs/dbraw/zinc/47/58/23/557475823.db2.gz ZYBUBXWPBCVETM-UHFFFAOYSA-N 0 0 438.549 4.284 40 0 IIABRN COc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl ZINC000017096683 557477463 /nfs/dbraw/zinc/47/74/63/557477463.db2.gz IEVAVBGRIYTVCS-UHFFFAOYSA-N 0 0 429.885 4.321 40 0 IIABRN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1 ZINC000017096715 557477474 /nfs/dbraw/zinc/47/74/74/557477474.db2.gz QMRFHPANWQSTCN-UHFFFAOYSA-N 0 0 429.948 4.440 40 0 IIABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ncccc1C ZINC000017096776 557477696 /nfs/dbraw/zinc/47/76/96/557477696.db2.gz CASGAIGWHFQXBC-UHFFFAOYSA-N 0 0 430.327 4.441 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223497673 557479563 /nfs/dbraw/zinc/47/95/63/557479563.db2.gz YNWWPNYHCPSKBE-XMMPIXPASA-N 0 0 436.502 4.284 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223506377 557480222 /nfs/dbraw/zinc/48/02/22/557480222.db2.gz WEHSQLQPFUVABP-GOSISDBHSA-N 0 0 446.588 4.401 40 0 IIABRN COC(=O)c1cc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)ccc1C ZINC000223504483 557480229 /nfs/dbraw/zinc/48/02/29/557480229.db2.gz JZHDAHJNCJAVAT-UHFFFAOYSA-N 0 0 448.393 4.300 40 0 IIABRN CC[C@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000223515393 557481304 /nfs/dbraw/zinc/48/13/04/557481304.db2.gz IZFXGTFDYNBDSY-GOSISDBHSA-N 0 0 444.582 4.005 40 0 IIABRN C[C@H]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000017098715 557481825 /nfs/dbraw/zinc/48/18/25/557481825.db2.gz QBUOKHDUPABULK-NKLKJHRZSA-N 0 0 433.986 4.152 40 0 IIABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc2c(c1)OCO2 ZINC000017098890 557481946 /nfs/dbraw/zinc/48/19/46/557481946.db2.gz LBERGFOLKNLALX-XMMPIXPASA-N 0 0 434.517 4.199 40 0 IIABRN O=C(NC(=S)Nc1ccc(I)cc1F)c1ccccc1Cl ZINC000017099199 557482240 /nfs/dbraw/zinc/48/22/40/557482240.db2.gz DDEKJRKLIOKQID-UHFFFAOYSA-N 0 0 434.661 4.211 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2ccccc2C)cc1 ZINC000223541816 557483556 /nfs/dbraw/zinc/48/35/56/557483556.db2.gz KYAGFKXGQZOIFS-OAQYLSRUSA-N 0 0 436.577 4.419 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223547217 557484263 /nfs/dbraw/zinc/48/42/63/557484263.db2.gz UUSRBAPMCDXNTD-UHFFFAOYSA-N 0 0 438.549 4.284 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(F)cc1 ZINC000223551394 557484985 /nfs/dbraw/zinc/48/49/85/557484985.db2.gz ZDRAGCCXSCZLMS-LJQANCHMSA-N 0 0 430.589 4.435 40 0 IIABRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)COc1cccc2ccccc21 ZINC000017095378 557486154 /nfs/dbraw/zinc/48/61/54/557486154.db2.gz KJTDJINCHFDAMH-UHFFFAOYSA-N 0 0 427.478 4.191 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000223564964 557486775 /nfs/dbraw/zinc/48/67/75/557486775.db2.gz IFCJCOBLACYYKK-UHFFFAOYSA-N 0 0 432.973 4.460 40 0 IIABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 ZINC000223570880 557487317 /nfs/dbraw/zinc/48/73/17/557487317.db2.gz DDQULNDQEVELNK-AREMUKBSSA-N 0 0 446.547 4.370 40 0 IIABRN CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2Cl)CC1 ZINC000017100767 557489376 /nfs/dbraw/zinc/48/93/76/557489376.db2.gz CPAPXSZFTNLDNP-UHFFFAOYSA-N 0 0 436.737 4.023 40 0 IIABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(Br)c2)c(F)c1F ZINC000017101053 557489900 /nfs/dbraw/zinc/48/99/00/557489900.db2.gz XBMIPTDNVJGQIA-UHFFFAOYSA-N 0 0 437.212 4.141 40 0 IIABRN COc1ccc(C)cc1N(CC(=O)NCC1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000223599301 557490376 /nfs/dbraw/zinc/49/03/76/557490376.db2.gz VFDHKSQXKHBTHA-UHFFFAOYSA-N 0 0 444.597 4.204 40 0 IIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000223603433 557490751 /nfs/dbraw/zinc/49/07/51/557490751.db2.gz BYOHEAXEHJGWHX-HAHDFKILSA-N 0 0 442.544 4.330 40 0 IIABRN COc1cc(NC(=O)c2ccccc2I)ccc1NC(=O)C(C)C ZINC000017101880 557490780 /nfs/dbraw/zinc/49/07/80/557490780.db2.gz SARURDIWLFALEU-UHFFFAOYSA-N 0 0 438.265 4.147 40 0 IIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223608889 557491323 /nfs/dbraw/zinc/49/13/23/557491323.db2.gz REIGUHZFUAWEIL-UXHICEINSA-N 0 0 430.936 4.020 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223614236 557492053 /nfs/dbraw/zinc/49/20/53/557492053.db2.gz NGJBXXKFWHKVHD-QHCPKHFHSA-N 0 0 440.584 4.413 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223618598 557492721 /nfs/dbraw/zinc/49/27/21/557492721.db2.gz AULVXRSWLXKWAO-QHCPKHFHSA-N 0 0 440.584 4.359 40 0 IIABRN CC(C)(Cc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000223620405 557493028 /nfs/dbraw/zinc/49/30/28/557493028.db2.gz OLSZEMYAGPUVGA-UHFFFAOYSA-N 0 0 434.989 4.266 40 0 IIABRN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918404 557493300 /nfs/dbraw/zinc/49/33/00/557493300.db2.gz BXDDOPIRYWHDEN-BDOHWBQPSA-N 0 0 432.557 4.032 40 0 IIABRN CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000223631347 557494170 /nfs/dbraw/zinc/49/41/70/557494170.db2.gz XQPRKQPFNBIUKG-UHFFFAOYSA-N 0 0 442.324 4.062 40 0 IIABRN CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000223635800 557494684 /nfs/dbraw/zinc/49/46/84/557494684.db2.gz UQMOJTDEPGMBDV-UHFFFAOYSA-N 0 0 442.324 4.062 40 0 IIABRN CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000223636177 557494721 /nfs/dbraw/zinc/49/47/21/557494721.db2.gz LDRKQVVIVYSNGU-UHFFFAOYSA-N 0 0 449.016 4.019 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223648828 557496925 /nfs/dbraw/zinc/49/69/25/557496925.db2.gz CSXZLOCEZZGGKJ-FCHUYYIVSA-N 0 0 426.586 4.151 40 0 IIABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@H](C)C4)C3)c(-c3cccnc3)c2c1 ZINC000019220247 557497713 /nfs/dbraw/zinc/49/77/13/557497713.db2.gz QBMLGKPBXARUED-KCZVDYSFSA-N 0 0 446.595 4.354 40 0 IIABRN Cc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000223654950 557497967 /nfs/dbraw/zinc/49/79/67/557497967.db2.gz RJOPALDLYTXACL-UHFFFAOYSA-N 0 0 426.325 4.314 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C ZINC000223672545 557500232 /nfs/dbraw/zinc/50/02/32/557500232.db2.gz CZRXTEXPBNRENO-JOCHJYFZSA-N 0 0 440.584 4.413 40 0 IIABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000223673386 557500521 /nfs/dbraw/zinc/50/05/21/557500521.db2.gz NSOIFYBYTOVBFE-RPWUZVMVSA-N 0 0 448.592 4.333 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 ZINC000019568068 557500935 /nfs/dbraw/zinc/50/09/35/557500935.db2.gz KLCYSLMWFOVDJG-HSZRJFAPSA-N 0 0 442.567 4.034 40 0 IIABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(C)Cc3ccccc3)cc2c1 ZINC000019522945 557501464 /nfs/dbraw/zinc/50/14/64/557501464.db2.gz PNMGTEMYGIYVJO-DEOSSOPVSA-N 0 0 442.567 4.414 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(OC)cc1 ZINC000223685603 557502064 /nfs/dbraw/zinc/50/20/64/557502064.db2.gz JCSGAYCKBSWDEQ-INIZCTEOSA-N 0 0 434.989 4.135 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000223699892 557503682 /nfs/dbraw/zinc/50/36/82/557503682.db2.gz PLJRMROVGQTJRL-XZOQPEGZSA-N 0 0 434.565 4.025 40 0 IIABRN Cc1nc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1I ZINC000019645635 557504840 /nfs/dbraw/zinc/50/48/40/557504840.db2.gz JWHISXQCTBFQFK-UHFFFAOYSA-N 0 0 447.301 4.275 40 0 IIABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000019647316 557505360 /nfs/dbraw/zinc/50/53/60/557505360.db2.gz GYQBTHODBUMJEI-FQEVSTJZSA-N 0 0 448.519 4.211 40 0 IIABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc2c(c1)OCCO2 ZINC000019647626 557505663 /nfs/dbraw/zinc/50/56/63/557505663.db2.gz WPFHOOSNBHONJF-VWLOTQADSA-N 0 0 448.544 4.241 40 0 IIABRN CCCC[C@H](CC)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223718808 557505749 /nfs/dbraw/zinc/50/57/49/557505749.db2.gz JDVIMYQXWZZVHY-IBGZPJMESA-N 0 0 432.586 4.223 40 0 IIABRN COc1ccc(NC(=O)C2=C(N)Oc3c4ccccc4oc(=O)c3[C@H]2c2ccccc2)cc1 ZINC000019631555 557507029 /nfs/dbraw/zinc/50/70/29/557507029.db2.gz YQODPNFUDHUTCS-HXUWFJFHSA-N 0 0 440.455 4.135 40 0 IIABRN CN(c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000223744705 557508077 /nfs/dbraw/zinc/50/80/77/557508077.db2.gz VNBUDSLDFXNJFM-UHFFFAOYSA-N 0 0 428.941 4.138 40 0 IIABRN COc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1OC ZINC000223748984 557508914 /nfs/dbraw/zinc/50/89/14/557508914.db2.gz WBPRYHBMYRIXQH-LJQANCHMSA-N 0 0 438.568 4.113 40 0 IIABRN C[C@@H](C(=O)NCC1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223782679 557512417 /nfs/dbraw/zinc/51/24/17/557512417.db2.gz RLHDLBRRRGEYBJ-SFHVURJKSA-N 0 0 430.570 4.330 40 0 IIABRN CSc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)N1CCCCC1 ZINC000223791262 557513872 /nfs/dbraw/zinc/51/38/72/557513872.db2.gz SWOAEZVAVCHKSU-INIZCTEOSA-N 0 0 430.595 4.175 40 0 IIABRN Cc1ccc(N(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)S(C)(=O)=O)cc1C ZINC000223791995 557514109 /nfs/dbraw/zinc/51/41/09/557514109.db2.gz MKADYEWHRBXPJJ-UHFFFAOYSA-N 0 0 426.582 4.500 40 0 IIABRN CC(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000223799549 557515051 /nfs/dbraw/zinc/51/50/51/557515051.db2.gz FSIGGQOYERPLOU-UHFFFAOYSA-N 0 0 444.597 4.184 40 0 IIABRN COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000020121647 557515364 /nfs/dbraw/zinc/51/53/64/557515364.db2.gz GRDNJNRSMKWQIT-XMMPIXPASA-N 0 0 432.572 4.099 40 0 IIABRN Cc1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813581 557516450 /nfs/dbraw/zinc/51/64/50/557516450.db2.gz WXDJZHQMLWTXMB-IBGZPJMESA-N 0 0 436.552 4.132 40 0 IIABRN Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000223823496 557517431 /nfs/dbraw/zinc/51/74/31/557517431.db2.gz GRFACBMGMIHFIB-UHFFFAOYSA-N 0 0 446.613 4.168 40 0 IIABRN Nc1nn(CC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(=S)n1Nc1cccs1 ZINC000036625633 557517467 /nfs/dbraw/zinc/51/74/67/557517467.db2.gz KEPVFPZYOZZTEQ-UHFFFAOYSA-N 0 0 433.868 4.488 40 0 IIABRN Nc1nn(CC(=O)c2cc(C(F)(F)F)ccc2Cl)c(=S)n1Nc1cccs1 ZINC000036625642 557517483 /nfs/dbraw/zinc/51/74/83/557517483.db2.gz UWKGGBWAWNOIBM-UHFFFAOYSA-N 0 0 433.868 4.488 40 0 IIABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223830420 557518138 /nfs/dbraw/zinc/51/81/38/557518138.db2.gz RQCBOSWRZAZRKE-KRWDZBQOSA-N 0 0 444.959 4.204 40 0 IIABRN COc1ccc(C)cc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000020233629 557519205 /nfs/dbraw/zinc/51/92/05/557519205.db2.gz PGLDGGCUSIHRHT-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1 ZINC000020275155 557519541 /nfs/dbraw/zinc/51/95/41/557519541.db2.gz UJHRTFHETVRHMS-UHFFFAOYSA-N 0 0 426.925 4.316 40 0 IIABRN O=C(Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3F)cc2s1)c1ccco1 ZINC000020411123 557520075 /nfs/dbraw/zinc/52/00/75/557520075.db2.gz SYHSSTSCJSKQRQ-UHFFFAOYSA-N 0 0 440.481 4.408 40 0 IIABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)nc1 ZINC000223847484 557520343 /nfs/dbraw/zinc/52/03/43/557520343.db2.gz FHRXDHSMNASDIM-XZOQPEGZSA-N 0 0 427.533 4.458 40 0 IIABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 ZINC000223855036 557521423 /nfs/dbraw/zinc/52/14/23/557521423.db2.gz PGZSIKIQNHDTQI-UHFFFAOYSA-N 0 0 432.611 4.245 40 0 IIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(F)cc1 ZINC000223864043 557522005 /nfs/dbraw/zinc/52/20/05/557522005.db2.gz UQTXFJWAGNWMGS-INIZCTEOSA-N 0 0 432.923 4.334 40 0 IIABRN CSc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000223891386 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0 429.525 4.315 40 0 IIABRN COc1cc2c(cc1OC)[C@H](C)N(CN1CCc3cc(OC)c(OC)cc3[C@@H]1C)CC2 ZINC000019323162 569318310 /nfs/dbraw/zinc/31/83/10/569318310.db2.gz UFVVWXKWWHPNHY-IRXDYDNUSA-N 0 0 426.557 4.217 40 0 biogenic IIABRN Cc1nc([C@H]2CCCCN2CC(=O)Nc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755847 569328518 /nfs/dbraw/zinc/32/85/18/569328518.db2.gz DVEUGCXJKXGEAJ-JOCHJYFZSA-N 0 0 447.514 4.342 40 0 IIABRN COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccccc2)nc1C ZINC000019754116 569328615 /nfs/dbraw/zinc/32/86/15/569328615.db2.gz SIHMIQIYNMEVPF-OAQYLSRUSA-N 0 0 430.508 4.413 40 0 IIABRN Cn1c2oc(NC3CCCCC3)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000095115655 569358370 /nfs/dbraw/zinc/35/83/70/569358370.db2.gz FPYAKEWWUZMHLF-UHFFFAOYSA-N 0 0 432.318 4.004 40 0 IIABRN CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000003106779 569440357 /nfs/dbraw/zinc/44/03/57/569440357.db2.gz KITWNBDHJFNMFN-UHFFFAOYSA-N 0 0 436.700 4.314 40 0 IIABRN O=C(Oc1ccccc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000003654064 569455744 /nfs/dbraw/zinc/45/57/44/569455744.db2.gz CLKLDEUDEHCTSJ-UHFFFAOYSA-N 0 0 445.449 4.388 40 0 IIABRN CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O)[C@H]1CC[C@@H](O)CCc1ccccc1 ZINC000245204715 569498982 /nfs/dbraw/zinc/49/89/82/569498982.db2.gz GGXICVAJURFBLW-ANTVLOHYSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN CC(=O)N1CCOC[C@H](Cc2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)C1 ZINC000143122229 569538310 /nfs/dbraw/zinc/53/83/10/569538310.db2.gz DMZSPHGBOQEUMG-QGZVFWFLSA-N 0 0 426.517 4.125 40 0 IIABRN OCCN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(=S)Nc1ccccc1 ZINC000072238898 569582792 /nfs/dbraw/zinc/58/27/92/569582792.db2.gz IZKOICCPYHYSJY-UHFFFAOYSA-N 0 0 429.549 4.126 40 0 IIABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)Nc2ncc(-c3ccccc3)n2C)C1 ZINC000072352635 569582849 /nfs/dbraw/zinc/58/28/49/569582849.db2.gz AIVLUDWTFVUVQB-GOSISDBHSA-N 0 0 444.560 4.890 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccncc2)n1 ZINC000329061257 569583278 /nfs/dbraw/zinc/58/32/78/569583278.db2.gz WPTWEOVKPUEGRQ-QGZVFWFLSA-N 0 0 433.434 4.610 40 0 IIABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000329060804 569584268 /nfs/dbraw/zinc/58/42/68/569584268.db2.gz WNXPTGFUKRSYJG-LJQANCHMSA-N 0 0 431.462 5.038 40 0 IIABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)c(Br)c1 ZINC000329012042 569584284 /nfs/dbraw/zinc/58/42/84/569584284.db2.gz MHPWXDXBNXGBDF-LJQANCHMSA-N 0 0 442.361 4.782 40 0 IIABRN COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5ccccc5c4)no3)N(C)C2)c1 ZINC000030879537 291384027 /nfs/dbraw/zinc/38/40/27/291384027.db2.gz RUZASRZLKJRGLA-UNMCSNQZSA-N 0 0 443.507 4.465 40 0 biogenic,in-vitro IIABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCCOC)cc2c1 ZINC000006197777 193891299 /nfs/dbraw/zinc/89/12/99/193891299.db2.gz CNLJUBRMIGVRTG-UHFFFAOYSA-N 0 0 441.572 4.143 40 0 IIABRN CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2cccs2)c1 ZINC000006284365 193895984 /nfs/dbraw/zinc/89/59/84/193895984.db2.gz UBBRBDICWMJSDL-GOSISDBHSA-N 0 0 428.583 4.465 40 0 IIABRN COc1ccccc1CCC(=O)N1CC[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761803 193914209 /nfs/dbraw/zinc/91/42/09/193914209.db2.gz IAXKKTWXBHCNMV-HXUWFJFHSA-N 0 0 445.563 4.330 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223275593 193961464 /nfs/dbraw/zinc/96/14/64/193961464.db2.gz GOEWNISOLDDXTB-SFHVURJKSA-N 0 0 444.547 4.109 40 0 IIABRN CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CCN(c3ccccn3)CC1)CCCC2 ZINC000001281001 132241256 /nfs/dbraw/zinc/24/12/56/132241256.db2.gz NYBJWJXITFBQIV-DEOSSOPVSA-N 0 0 447.608 4.287 40 0 IIABRN Cc1ccc(C)c(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 ZINC000010009294 132333867 /nfs/dbraw/zinc/33/38/67/132333867.db2.gz FGQQZAMVNSLAHQ-HSZRJFAPSA-N 0 0 436.533 4.040 40 0 IIABRN O=C(Nc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013682181 132353327 /nfs/dbraw/zinc/35/33/27/132353327.db2.gz JBRHRRFNMGMVEX-FQEVSTJZSA-N 0 0 446.887 4.074 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1csnn1 ZINC000012638453 518745143 /nfs/dbraw/zinc/74/51/43/518745143.db2.gz KVXFZLINLKIMEN-QGZVFWFLSA-N 0 0 432.933 4.083 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000012636334 518747998 /nfs/dbraw/zinc/74/79/98/518747998.db2.gz JROZVBBHSYJAQG-SFHVURJKSA-N 0 0 428.945 4.494 40 0 IIABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000016320832 519640649 /nfs/dbraw/zinc/64/06/49/519640649.db2.gz GPQZFOTWKQILBM-UHFFFAOYSA-N 0 0 426.723 4.188 40 0 IIABRN CC(C)Oc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022394936 519780390 /nfs/dbraw/zinc/78/03/90/519780390.db2.gz JIFKAUKBQXYWEK-SFHVURJKSA-N 0 0 446.613 4.415 40 0 IIABRN CC(C)c1ccccc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000022388336 519844367 /nfs/dbraw/zinc/84/43/67/519844367.db2.gz ITJLUTOJHSNBDE-UHFFFAOYSA-N 0 0 428.598 4.057 40 0 IIABRN CC(C)c1ccccc1OCC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 ZINC000012220489 519847027 /nfs/dbraw/zinc/84/70/27/519847027.db2.gz WPXZJPRIYQVUTA-KRWDZBQOSA-N 0 0 449.526 4.381 40 0 IIABRN CCOC(=O)C1C(C)=Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@H]1c1cccs1 ZINC000012412691 520506745 /nfs/dbraw/zinc/50/67/45/520506745.db2.gz HVCLBBYYWWKYRQ-AWEZNQCLSA-N 0 0 444.538 4.335 40 0 IIABRN CCCCN1c2nc3ccccc3n2[C@H](c2c[nH]c3ccccc32)[C@H](C(=O)OCC)C1=O ZINC000020675477 520601315 /nfs/dbraw/zinc/60/13/15/520601315.db2.gz SITPGCWUQVQJCC-FCHUYYIVSA-N 0 0 430.508 4.433 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000022248652 520782415 /nfs/dbraw/zinc/78/24/15/520782415.db2.gz VXBCKLALGWELAW-UHFFFAOYSA-N 0 0 445.368 4.350 40 0 IIABRN CCOc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(N4CCOCC4)cc3)=NN2)cc1 ZINC000012497818 520932271 /nfs/dbraw/zinc/93/22/71/520932271.db2.gz LNMHTKGYTRDXHD-UHFFFAOYSA-N 0 0 444.510 4.495 40 0 IIABRN CCOc1ccc(OCC)c(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c1 ZINC000012498538 521167132 /nfs/dbraw/zinc/16/71/32/521167132.db2.gz QGAFNXUTIAYBDX-UHFFFAOYSA-N 0 0 441.488 4.173 40 0 IIABRN CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020637470 521280634 /nfs/dbraw/zinc/28/06/34/521280634.db2.gz ZWIGJMZSMGEXRJ-DHIUTWEWSA-N 0 0 441.487 4.336 40 0 IIABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccc(Br)cc1)cn2C ZINC000022237422 521292801 /nfs/dbraw/zinc/29/28/01/521292801.db2.gz YAOXZSZTKJFDTI-CYBMUJFWSA-N 0 0 429.314 4.191 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1cccc(C)c1C ZINC000012868911 521337004 /nfs/dbraw/zinc/33/70/04/521337004.db2.gz COXMXDPZXKWMEL-HXUWFJFHSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000035290855 521337268 /nfs/dbraw/zinc/33/72/68/521337268.db2.gz OSYSCAHHXNSOQJ-LJQANCHMSA-N 0 0 426.517 4.370 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 ZINC000012870556 521346528 /nfs/dbraw/zinc/34/65/28/521346528.db2.gz JDLDUEUMVVYUMI-KRWDZBQOSA-N 0 0 432.933 4.477 40 0 IIABRN CCOC(=O)c1c(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 ZINC000033777582 521408840 /nfs/dbraw/zinc/40/88/40/521408840.db2.gz GVJZZJDQGFFMNT-QKPAOTATSA-N 0 0 433.570 4.358 40 0 IIABRN CCOc1ccccc1N(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431213 521511494 /nfs/dbraw/zinc/51/14/94/521511494.db2.gz UHPJGDYQKUKRMX-UHFFFAOYSA-N 0 0 444.597 4.380 40 0 IIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C ZINC000022245516 521898957 /nfs/dbraw/zinc/89/89/57/521898957.db2.gz SBKOIJQMRDJPER-UHFFFAOYSA-N 0 0 441.509 4.276 40 0 IIABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020456089 521924897 /nfs/dbraw/zinc/92/48/97/521924897.db2.gz HABRQZJUDKDENS-SFHVURJKSA-N 0 0 430.570 4.220 40 0 IIABRN CC[C@@H](C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000022256501 522102311 /nfs/dbraw/zinc/10/23/11/522102311.db2.gz CLDYIDUBUOGZFR-CQSZACIVSA-N 0 0 435.933 4.388 40 0 IIABRN COc1cc(C)c(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)cc1OC ZINC000041125424 522189347 /nfs/dbraw/zinc/18/93/47/522189347.db2.gz YETORUJSLFYNNI-OAQYLSRUSA-N 0 0 433.504 4.497 40 0 IIABRN CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C1(c2ccc(OC)cc2)CCCCC1 ZINC000012141878 522320911 /nfs/dbraw/zinc/32/09/11/522320911.db2.gz JCYVUMNGIJBPNB-OAQYLSRUSA-N 0 0 433.552 4.202 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022365918 522382494 /nfs/dbraw/zinc/38/24/94/522382494.db2.gz GGBJWTQNFWGSJV-IBGZPJMESA-N 0 0 426.941 4.129 40 0 IIABRN COC(=O)c1sc(NC(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)nc1C ZINC000012833696 522426790 /nfs/dbraw/zinc/42/67/90/522426790.db2.gz LSWIGBOLJXVUTL-VIFPVBQESA-N 0 0 448.595 4.098 40 0 IIABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(OC)cc1 ZINC000020451754 522533547 /nfs/dbraw/zinc/53/35/47/522533547.db2.gz QIZVJQIWMPVPFC-FQEVSTJZSA-N 0 0 444.578 4.463 40 0 IIABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3C)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000020797643 522713088 /nfs/dbraw/zinc/71/30/88/522713088.db2.gz JOGYVVGAZMZMGU-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/80/27/78/555802778.db2.gz PEXPFGFNMOBZRF-UHFFFAOYSA-N 0 0 432.630 4.083 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)cc1 ZINC000408555785 555892630 /nfs/dbraw/zinc/89/26/30/555892630.db2.gz GGZHCTVJAMJXGT-INIZCTEOSA-N 0 0 436.961 4.087 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000408556480 555893899 /nfs/dbraw/zinc/89/38/99/555893899.db2.gz CYOWMFDWWISALP-UHFFFAOYSA-N 0 0 443.352 4.041 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1C ZINC000408556834 555894284 /nfs/dbraw/zinc/89/42/84/555894284.db2.gz DRPKYIZDTLOMFM-QGZVFWFLSA-N 0 0 440.521 4.101 40 0 IIABRN CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558646 555898043 /nfs/dbraw/zinc/89/80/43/555898043.db2.gz SIWLKEHLIRMXHS-UHFFFAOYSA-N 0 0 444.940 4.470 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000408560348 555900478 /nfs/dbraw/zinc/90/04/78/555900478.db2.gz ORBULSYKUSPGJD-CYBMUJFWSA-N 0 0 443.352 4.041 40 0 IIABRN CCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1NC(=O)c1ccccc1 ZINC000408560465 555901434 /nfs/dbraw/zinc/90/14/34/555901434.db2.gz PASAVBKNHZQPJI-UHFFFAOYSA-N 0 0 432.448 4.417 40 0 IIABRN Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NCCN1CCOCC1 ZINC000408576079 555926606 /nfs/dbraw/zinc/92/66/06/555926606.db2.gz POSAKTFUISIVOR-UHFFFAOYSA-N 0 0 443.371 4.309 40 0 IIABRN O=C(NC1CCCCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408585268 555935540 /nfs/dbraw/zinc/93/55/40/555935540.db2.gz YICMEJBTXQOXNW-JOCHJYFZSA-N 0 0 449.016 4.459 40 0 IIABRN CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Cl ZINC000408588984 555942113 /nfs/dbraw/zinc/94/21/13/555942113.db2.gz DIYYWHGOFMLCEH-UHFFFAOYSA-N 0 0 448.894 4.268 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000408590645 555946352 /nfs/dbraw/zinc/94/63/52/555946352.db2.gz KFNGCIFMWASCIV-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c1 ZINC000408591973 555952514 /nfs/dbraw/zinc/95/25/14/555952514.db2.gz MSSKBVINNMWIJH-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1 ZINC000408593162 555954861 /nfs/dbraw/zinc/95/48/61/555954861.db2.gz PFZRALOUYNSWCN-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408598191 555956546 /nfs/dbraw/zinc/95/65/46/555956546.db2.gz XTPBCWINCDAJEF-CYBMUJFWSA-N 0 0 445.368 4.334 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c(C)c1 ZINC000408593909 555960227 /nfs/dbraw/zinc/96/02/27/555960227.db2.gz QOYOSKANSGWZLM-GOSISDBHSA-N 0 0 430.570 4.320 40 0 IIABRN CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408596606 555964117 /nfs/dbraw/zinc/96/41/17/555964117.db2.gz WZXXTQHVKKNYAG-LBPRGKRZSA-N 0 0 431.341 4.086 40 0 IIABRN COc1cc([C@H]2NC(=S)N=C(C)C2C(=O)OC(C)C)ccc1OCc1ccccc1 ZINC000408606807 555967309 /nfs/dbraw/zinc/96/73/09/555967309.db2.gz QFSZOQPXFCROEM-OAQYLSRUSA-N 0 0 426.538 4.019 40 0 IIABRN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408603809 555973058 /nfs/dbraw/zinc/97/30/58/555973058.db2.gz HIQFSPCEZXMOCS-GOSISDBHSA-N 0 0 448.386 4.370 40 0 IIABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000408608886 555979477 /nfs/dbraw/zinc/97/94/77/555979477.db2.gz QFTBUUAFCFAMKM-LBPRGKRZSA-N 0 0 431.341 4.006 40 0 IIABRN CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000408610076 555980429 /nfs/dbraw/zinc/98/04/29/555980429.db2.gz UVPDDQWEDXTQNB-UHFFFAOYSA-N 0 0 438.549 4.278 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CCCCC1 ZINC000408613831 555984417 /nfs/dbraw/zinc/98/44/17/555984417.db2.gz WESXTONNMSCVMC-UHFFFAOYSA-N 0 0 448.972 4.104 40 0 IIABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3C)CC2=O)c1 ZINC000408614242 555984649 /nfs/dbraw/zinc/98/46/49/555984649.db2.gz ADHFJJDBLAQYCN-NRFANRHFSA-N 0 0 441.531 4.225 40 0 IIABRN Cc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000408617294 555988361 /nfs/dbraw/zinc/98/83/61/555988361.db2.gz FZAILOBVQNCFFD-UHFFFAOYSA-N 0 0 442.968 4.320 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)C2CCCCC2)cc1 ZINC000408620126 555989407 /nfs/dbraw/zinc/98/94/07/555989407.db2.gz KCLLSLQVDSGROB-UHFFFAOYSA-N 0 0 444.597 4.034 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1cc2c(nc(SC)nc2N2CCCC2)s1 ZINC000408621750 555990900 /nfs/dbraw/zinc/99/09/00/555990900.db2.gz PJUTXDNQNXFHCK-UHFFFAOYSA-N 0 0 428.539 4.052 40 0 IIABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 ZINC000408622911 555991676 /nfs/dbraw/zinc/99/16/76/555991676.db2.gz OBXZFZSZLZGEIV-UHFFFAOYSA-N 0 0 431.341 4.089 40 0 IIABRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc(Br)cc1 ZINC000408625270 555996004 /nfs/dbraw/zinc/99/60/04/555996004.db2.gz ITMOCDNQDQIOGD-UHFFFAOYSA-N 0 0 443.322 4.264 40 0 IIABRN CSc1cccc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000408625754 555996302 /nfs/dbraw/zinc/99/63/02/555996302.db2.gz WWTHPYRBANFPDA-UHFFFAOYSA-N 0 0 433.382 4.116 40 0 IIABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000408630139 556000863 /nfs/dbraw/zinc/00/08/63/556000863.db2.gz OFKVVQIBRLBGFQ-SFHVURJKSA-N 0 0 446.569 4.054 40 0 IIABRN COc1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(Br)c(OC)c1OC ZINC000004653919 556005322 /nfs/dbraw/zinc/00/53/22/556005322.db2.gz FKZQNFAWKLNSDW-QXJJSNKBSA-N 0 0 426.351 4.420 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000408635747 556014005 /nfs/dbraw/zinc/01/40/05/556014005.db2.gz IEWKFDNHFJYSPR-UHFFFAOYSA-N 0 0 440.609 4.265 40 0 IIABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1Cl ZINC000408638756 556015837 /nfs/dbraw/zinc/01/58/37/556015837.db2.gz DHFJDFRBLXLNDG-QGZVFWFLSA-N 0 0 428.916 4.453 40 0 IIABRN COc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 ZINC000408640774 556016955 /nfs/dbraw/zinc/01/69/55/556016955.db2.gz ITELZKRLTAITIY-GFCCVEGCSA-N 0 0 437.721 4.411 40 0 IIABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000408637430 556020556 /nfs/dbraw/zinc/02/05/56/556020556.db2.gz KIBHOIDQHYXVNZ-UHFFFAOYSA-N 0 0 446.960 4.290 40 0 IIABRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)c1ccc(N(C)C)cc1 ZINC000408645244 556021189 /nfs/dbraw/zinc/02/11/89/556021189.db2.gz KOFAODKRYJGGFM-UHFFFAOYSA-N 0 0 425.710 4.272 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)c1 ZINC000408645508 556021456 /nfs/dbraw/zinc/02/14/56/556021456.db2.gz LVRYJVBECLQJRV-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 ZINC000408663281 556046019 /nfs/dbraw/zinc/04/60/19/556046019.db2.gz YJCJHHGCRDGLEU-SZVBFZGTSA-N 0 0 438.911 4.001 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1C ZINC000408667226 556055472 /nfs/dbraw/zinc/05/54/72/556055472.db2.gz SBZFEDBIGJABJE-ITEAAPOESA-N 0 0 448.519 4.025 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1C ZINC000408671261 556060848 /nfs/dbraw/zinc/06/08/48/556060848.db2.gz 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C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408705505 556111622 /nfs/dbraw/zinc/11/16/22/556111622.db2.gz HGIKFCFSNAQURH-AWEZNQCLSA-N 0 0 432.448 4.172 40 0 IIABRN COc1cc2[nH]c(=NN)n(-c3cc(Cl)ccc3Oc3ccccc3)c(=O)c2cc1OC ZINC000408712759 556124151 /nfs/dbraw/zinc/12/41/51/556124151.db2.gz OCEWLUGVCLEFNP-UHFFFAOYSA-N 0 0 438.871 4.134 40 0 IIABRN COc1cc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc(OC)c1OC ZINC000408713971 556128495 /nfs/dbraw/zinc/12/84/95/556128495.db2.gz DZZKKRFQRSYYOV-UHFFFAOYSA-N 0 0 439.512 4.332 40 0 IIABRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000408719050 556141865 /nfs/dbraw/zinc/14/18/65/556141865.db2.gz HYENGWPJFASYQC-MSRUFZRRSA-N 0 0 437.495 4.434 40 0 IIABRN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408738639 556200520 /nfs/dbraw/zinc/20/05/20/556200520.db2.gz TUIAXUJUHDZQLC-GOSISDBHSA-N 0 0 425.535 4.460 40 0 IIABRN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000008758965 556211276 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IIABRN C[C@H](Oc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1)C(=O)c1ccc(Cl)cc1 ZINC000009581357 556300533 /nfs/dbraw/zinc/30/05/33/556300533.db2.gz AMYKRQFRUSQWEQ-LLHHEEAVSA-N 0 0 439.895 4.126 40 0 IIABRN CCc1cc(I)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000010002142 556320385 /nfs/dbraw/zinc/32/03/85/556320385.db2.gz RAUCVEOFAPNCHY-UHFFFAOYSA-N 0 0 441.265 4.132 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC)cc2)cc1 ZINC000010019895 556322806 /nfs/dbraw/zinc/32/28/06/556322806.db2.gz ONZWSAKKPASSPJ-UHFFFAOYSA-N 0 0 428.535 4.470 40 0 IIABRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc(F)cc1 ZINC000010128731 556326519 /nfs/dbraw/zinc/32/65/19/556326519.db2.gz YQEXEPHCVMCUCJ-FQEVSTJZSA-N 0 0 440.471 4.169 40 0 IIABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCc2ccco2)cc1 ZINC000036808971 556328297 /nfs/dbraw/zinc/32/82/97/556328297.db2.gz YNPGQWNTZYPNHS-UHFFFAOYSA-N 0 0 448.548 4.258 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccc(Cl)cc1 ZINC000010414656 556334190 /nfs/dbraw/zinc/33/41/90/556334190.db2.gz QHNFWFOYQKIMIU-UHFFFAOYSA-N 0 0 436.961 4.095 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000011170212 556339542 /nfs/dbraw/zinc/33/95/42/556339542.db2.gz MWQYMLHGUAYTQN-SFHVURJKSA-N 0 0 430.570 4.059 40 0 IIABRN CCOC(=O)[C@@H]1CCCN(c2ccc(NCc3cc4ccc(OCC)cc4[nH]c3=O)cc2)C1 ZINC000012088325 556401176 /nfs/dbraw/zinc/40/11/76/556401176.db2.gz ATNBAJLGNSHTFU-LJQANCHMSA-N 0 0 449.551 4.318 40 0 IIABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000014291848 556411907 /nfs/dbraw/zinc/41/19/07/556411907.db2.gz ARJNBPFEVFAOMS-UHFFFAOYSA-N 0 0 430.570 4.465 40 0 IIABRN CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039761156 556436317 /nfs/dbraw/zinc/43/63/17/556436317.db2.gz KUCCUBRZANIYCG-UHFFFAOYSA-N 0 0 431.939 4.468 40 0 IIABRN O=C(COc1ccc2ccccc2c1Br)N1CCN(c2ccccc2)CC1 ZINC000014831557 556448916 /nfs/dbraw/zinc/44/89/16/556448916.db2.gz CZHZTFNXWSZXGG-UHFFFAOYSA-N 0 0 425.326 4.330 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c(C)c1 ZINC000030865878 556512208 /nfs/dbraw/zinc/51/22/08/556512208.db2.gz RCNPHSASMUXAJQ-FYYLOGMGSA-N 0 0 442.625 4.155 40 0 IIABRN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)Oc2ccccc21 ZINC000030941479 556516233 /nfs/dbraw/zinc/51/62/33/556516233.db2.gz DGKPNWBOEWZAOV-QFIPXVFZSA-N 0 0 438.505 4.035 40 0 IIABRN Cc1cc(C(=O)N2CCN(Cc3ccccc3C)CC2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616321 556516470 /nfs/dbraw/zinc/51/64/70/556516470.db2.gz SEDPCYNCHIYANH-UHFFFAOYSA-N 0 0 443.526 4.134 40 0 IIABRN Cc1nccn1Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000030945184 556516970 /nfs/dbraw/zinc/51/69/70/556516970.db2.gz QSAWCUAIRCLQCA-UHFFFAOYSA-N 0 0 428.458 4.221 40 0 IIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)cc1 ZINC000031252545 556521308 /nfs/dbraw/zinc/52/13/08/556521308.db2.gz XHQNKCOPOKVQDM-UHFFFAOYSA-N 0 0 444.578 4.076 40 0 IIABRN COc1cc(OC)c([C@@H]2C[C@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430367 556523477 /nfs/dbraw/zinc/52/34/77/556523477.db2.gz OOROCWPUUPSFBN-MZNJEOGPSA-N 0 0 427.497 4.168 40 0 IIABRN CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000015380058 556523643 /nfs/dbraw/zinc/52/36/43/556523643.db2.gz VCQJPVSTJRSOSP-UHFFFAOYSA-N 0 0 438.549 4.183 40 0 IIABRN CCOc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000015380006 556523650 /nfs/dbraw/zinc/52/36/50/556523650.db2.gz JULMNEMPTPWLOC-UHFFFAOYSA-N 0 0 438.549 4.467 40 0 IIABRN Cc1nc(-c2cccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2)cs1 ZINC000031540120 556524162 /nfs/dbraw/zinc/52/41/62/556524162.db2.gz XMPNJJXRVNCLGJ-SFHVURJKSA-N 0 0 441.578 4.158 40 0 IIABRN Cc1ccccc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000015398090 556524273 /nfs/dbraw/zinc/52/42/73/556524273.db2.gz YOEKDSCRTREJSF-HSZRJFAPSA-N 0 0 434.561 4.384 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC ZINC000013581391 556527736 /nfs/dbraw/zinc/52/77/36/556527736.db2.gz RLNFJQYEZLWAMP-UHFFFAOYSA-N 0 0 431.341 4.285 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581783 556528083 /nfs/dbraw/zinc/52/80/83/556528083.db2.gz OWLSZYUMVONXMT-UHFFFAOYSA-N 0 0 438.549 4.085 40 0 IIABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 ZINC000015438840 556528194 /nfs/dbraw/zinc/52/81/94/556528194.db2.gz UDZKDZJQZRVPNH-UHFFFAOYSA-N 0 0 444.484 4.043 40 0 IIABRN Cc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101094 556529106 /nfs/dbraw/zinc/52/91/06/556529106.db2.gz HDHLHSMYLWHOHN-QGZVFWFLSA-N 0 0 427.220 4.259 40 0 IIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2cc(C)cc(C)c2)cc1OC ZINC000032115377 556531458 /nfs/dbraw/zinc/53/14/58/556531458.db2.gz ONUWCFSEZIPROI-UHFFFAOYSA-N 0 0 443.569 4.333 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1C ZINC000015529134 556533572 /nfs/dbraw/zinc/53/35/72/556533572.db2.gz WBDDARTYHMBKJT-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2c(c1)OCO2 ZINC000032126880 556535782 /nfs/dbraw/zinc/53/57/82/556535782.db2.gz LIKBKJQZUCRGNL-UHFFFAOYSA-N 0 0 435.436 4.489 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000013633171 556539858 /nfs/dbraw/zinc/53/98/58/556539858.db2.gz FZVNJFSDZCIGSL-UHFFFAOYSA-N 0 0 440.521 4.137 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1)N2Cc1ccc(Cl)cc1 ZINC000032508577 556540123 /nfs/dbraw/zinc/54/01/23/556540123.db2.gz IAXOBSXKMWRMQB-MSOLQXFVSA-N 0 0 441.405 4.264 40 0 IIABRN COCc1nn2c(ncc3c2C[C@H](c2ccccc2OC)CC3=O)c1-c1ccc(OC)cc1 ZINC000013638323 556541906 /nfs/dbraw/zinc/54/19/06/556541906.db2.gz WOJFLMCMDQEUKY-KRWDZBQOSA-N 0 0 443.503 4.473 40 0 IIABRN O=C(/C=C/c1ccc2c(c1)OCO2)OCCSc1nnc2sc3ccccc3n12 ZINC000013638557 556541989 /nfs/dbraw/zinc/54/19/89/556541989.db2.gz XCQCAFYHHARVPD-SOFGYWHQSA-N 0 0 425.491 4.021 40 0 IIABRN Cc1ccc(C)c(N2C(SCc3ccc(F)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640415 556544859 /nfs/dbraw/zinc/54/48/59/556544859.db2.gz FGOWNZULXVRAMY-IEBWSBKVSA-N 0 0 438.977 4.371 40 0 IIABRN Cc1ccc(C)c(N2C(SCc3ccc(F)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640413 556544880 /nfs/dbraw/zinc/54/48/80/556544880.db2.gz FGOWNZULXVRAMY-PKOBYXMFSA-N 0 0 438.977 4.371 40 0 IIABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1cccc(Cl)c1)N2c1ccc(Cl)cc1 ZINC000032640960 556545619 /nfs/dbraw/zinc/54/56/19/556545619.db2.gz UPWILLZVFDUYNH-SJORKVTESA-N 0 0 427.378 4.268 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1C(=O)N1CCCCCC1 ZINC000013667482 556548693 /nfs/dbraw/zinc/54/86/93/556548693.db2.gz MGNRLOVJCBVGEY-IBGZPJMESA-N 0 0 444.597 4.368 40 0 IIABRN CCOc1cccc(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000013669676 556550376 /nfs/dbraw/zinc/55/03/76/556550376.db2.gz FUVULTWANMSTFA-UHFFFAOYSA-N 0 0 438.549 4.482 40 0 IIABRN Cc1cccc(CCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013676271 556554380 /nfs/dbraw/zinc/55/43/80/556554380.db2.gz WFHVCLSZFYCOLG-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1OC ZINC000013679407 556556129 /nfs/dbraw/zinc/55/61/29/556556129.db2.gz WQXUWUFLOFKLGD-UHFFFAOYSA-N 0 0 442.562 4.148 40 0 IIABRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000013679820 556556163 /nfs/dbraw/zinc/55/61/63/556556163.db2.gz CZCRZEPIHGHJTJ-OAHLLOKOSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000013681957 556557068 /nfs/dbraw/zinc/55/70/68/556557068.db2.gz DCANFFDTUZLYFU-HNNXBMFYSA-N 0 0 441.380 4.482 40 0 IIABRN COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000016194491 556589591 /nfs/dbraw/zinc/58/95/91/556589591.db2.gz CUDMAKYCKGGMQQ-UHFFFAOYSA-N 0 0 429.108 4.208 40 0 IIABRN COc1ccc(-n2nc(-c3nnc(Nc4ccccc4)s3)c3csc(N)c3c2=O)cc1 ZINC000016217549 556592081 /nfs/dbraw/zinc/59/20/81/556592081.db2.gz FPKQCLCCXWDMFP-UHFFFAOYSA-N 0 0 448.533 4.300 40 0 IIABRN COc1ccc(NC(=S)NC(=O)COc2ccccc2Cl)cc1Br ZINC000016226671 556592800 /nfs/dbraw/zinc/59/28/00/556592800.db2.gz LPZKLQSJESQMMH-UHFFFAOYSA-N 0 0 429.723 4.003 40 0 IIABRN Cc1nnc2sc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn12 ZINC000016363521 556603403 /nfs/dbraw/zinc/60/34/03/556603403.db2.gz UBGCHBIVUBBVPB-UHFFFAOYSA-N 0 0 434.308 4.486 40 0 IIABRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1cccc(I)c1 ZINC000016431671 556607592 /nfs/dbraw/zinc/60/75/92/556607592.db2.gz LTFNTXLDRKCJMA-UHFFFAOYSA-N 0 0 448.285 4.277 40 0 IIABRN O=C(COc1ccc2ccccc2c1Br)NCc1ccccc1-n1ccnc1 ZINC000038752332 556615801 /nfs/dbraw/zinc/61/58/01/556615801.db2.gz XBJOCOLLXKSMOJ-UHFFFAOYSA-N 0 0 436.309 4.483 40 0 IIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000038752396 556615808 /nfs/dbraw/zinc/61/58/08/556615808.db2.gz REMMKXWFSLLNKS-WOJBJXKFSA-N 0 0 438.977 4.161 40 0 IIABRN CC[C@@H](NC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000038752403 556615898 /nfs/dbraw/zinc/61/58/98/556615898.db2.gz REMMKXWFSLLNKS-UXHICEINSA-N 0 0 438.977 4.161 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000038753813 556616776 /nfs/dbraw/zinc/61/67/76/556616776.db2.gz AJTNZJFGCGUNPR-LJQANCHMSA-N 0 0 444.597 4.224 40 0 IIABRN Cn1c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2n(C)c1=O ZINC000038753867 556616787 /nfs/dbraw/zinc/61/67/87/556616787.db2.gz CFLPUUXIHUIGTF-UHFFFAOYSA-N 0 0 426.520 4.082 40 0 IIABRN Cc1ccc([C@H](NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038756443 556618083 /nfs/dbraw/zinc/61/80/83/556618083.db2.gz ULSMVHJTCKFLHJ-GBXCKJPGSA-N 0 0 436.577 4.364 40 0 IIABRN C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000038783376 556619813 /nfs/dbraw/zinc/61/98/13/556619813.db2.gz LNCGVZRQJONIQL-ACJLOTCBSA-N 0 0 441.380 4.342 40 0 IIABRN COc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1OC ZINC000038834967 556622815 /nfs/dbraw/zinc/62/28/15/556622815.db2.gz BKXFIALYKQEBTQ-UHFFFAOYSA-N 0 0 433.346 4.317 40 0 IIABRN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514288604 556625156 /nfs/dbraw/zinc/62/51/56/556625156.db2.gz JBJJBLSIBNRHNK-HOCLYGCPSA-N 0 0 448.445 4.012 40 0 biogenic,in-vitro IIABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc(F)c2)cc1 ZINC000016687828 556625696 /nfs/dbraw/zinc/62/56/96/556625696.db2.gz AOKBCARDCMQDIB-UHFFFAOYSA-N 0 0 437.496 4.119 40 0 IIABRN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1Cc1nc2ccncc2[nH]1 ZINC000514289323 556625782 /nfs/dbraw/zinc/62/57/82/556625782.db2.gz QCNPHVQTVFHFCS-HOTGVXAUSA-N 0 0 432.446 4.132 40 0 biogenic,in-vitro IIABRN O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038858064 556626084 /nfs/dbraw/zinc/62/60/84/556626084.db2.gz ZANBCRLBPMGLSS-UHFFFAOYSA-N 0 0 436.559 4.479 40 0 IIABRN COc1ccccc1NC(=O)C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000039964034 556631109 /nfs/dbraw/zinc/63/11/09/556631109.db2.gz LEFVWACNHSJDNG-JOCHJYFZSA-N 0 0 440.503 4.204 40 0 IIABRN O=C(C[C@@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000039964082 556631312 /nfs/dbraw/zinc/63/13/12/556631312.db2.gz SZAOQTUDMKMHCT-HXUWFJFHSA-N 0 0 446.507 4.404 40 0 IIABRN C[C@H]1CCCC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000039964065 556631323 /nfs/dbraw/zinc/63/13/23/556631323.db2.gz UUEVYYMIERPHLK-QKYXUNIQSA-N 0 0 446.507 4.260 40 0 IIABRN C[C@@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000039964062 556631335 /nfs/dbraw/zinc/63/13/35/556631335.db2.gz UUEVYYMIERPHLK-MOXGXCLJSA-N 0 0 446.507 4.260 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc3ccccc32)cc1C ZINC000039986181 556632352 /nfs/dbraw/zinc/63/23/52/556632352.db2.gz XEJMRCQPKLSPER-UHFFFAOYSA-N 0 0 426.538 4.196 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000039986123 556632360 /nfs/dbraw/zinc/63/23/60/556632360.db2.gz NCKVRVYTMOQSRX-UHFFFAOYSA-N 0 0 431.341 4.041 40 0 IIABRN CCc1ccc(-n2c(C)nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c3c2=S)cc1 ZINC000040386895 556636171 /nfs/dbraw/zinc/63/61/71/556636171.db2.gz IIWDJUKAZNDXBS-UHFFFAOYSA-N 0 0 429.549 4.272 40 0 IIABRN CCOC(=O)C1=C(C(=O)OCC)[C@@]2(c3ccccc3)N[C@]1(c1ccccc1)c1ccccc12 ZINC000017021025 556653391 /nfs/dbraw/zinc/65/33/91/556653391.db2.gz UESYLNSBCZNROT-HNRBIFIRSA-N 0 0 439.511 4.213 40 0 IIABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(O)c3)C2=O)cc1 ZINC000101078894 556653780 /nfs/dbraw/zinc/65/37/80/556653780.db2.gz QQENCQLIBAWUEO-SMIHKQSGSA-N 0 0 444.487 4.232 40 0 IIABRN CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](CC[C@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000043772336 556665283 /nfs/dbraw/zinc/66/52/83/556665283.db2.gz GGXICVAJURFBLW-YRYOILBQSA-N 0 0 432.601 4.186 40 0 in-vitro IIABRN COc1ccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1OC ZINC000044851766 556670663 /nfs/dbraw/zinc/67/06/63/556670663.db2.gz FQJJQSJEUCPYBH-UHFFFAOYSA-N 0 0 448.966 4.457 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1C ZINC000044856425 556672205 /nfs/dbraw/zinc/67/22/05/556672205.db2.gz UVCITTLVFBARQM-VGSWGCGISA-N 0 0 444.597 4.005 40 0 IIABRN Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(Br)cc1Cl ZINC000044899782 556676670 /nfs/dbraw/zinc/67/66/70/556676670.db2.gz PZLYFSNYTMZNOT-UHFFFAOYSA-N 0 0 434.721 4.292 40 0 IIABRN CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000044900549 556677494 /nfs/dbraw/zinc/67/74/94/556677494.db2.gz KEFQYKRGENMJBL-JOCHJYFZSA-N 0 0 438.549 4.401 40 0 IIABRN CC[C@@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000044902455 556678501 /nfs/dbraw/zinc/67/85/01/556678501.db2.gz IXBPZVUSKGFYNB-JOCHJYFZSA-N 0 0 432.586 4.126 40 0 IIABRN O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1cc2ccccc2o1 ZINC000012010493 556681023 /nfs/dbraw/zinc/68/10/23/556681023.db2.gz MPGYLQSDWHJCBX-UHFFFAOYSA-N 0 0 441.447 4.093 40 0 IIABRN Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(CC(=O)N4CCCC4)CC3)c12 ZINC000045186896 556685623 /nfs/dbraw/zinc/68/56/23/556685623.db2.gz DNXBHYANJNOVFK-UHFFFAOYSA-N 0 0 439.604 4.019 40 0 IIABRN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000796883 556695744 /nfs/dbraw/zinc/69/57/44/556695744.db2.gz ZXMHTDFFZBUDBW-LBPRGKRZSA-N 0 0 431.316 4.172 40 0 IIABRN O=C(NC1CCCCC1)[C@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc2c(c1)OCCO2 ZINC000000800292 556696319 /nfs/dbraw/zinc/69/63/19/556696319.db2.gz MCQLUWZYZNQUJN-ODUIWNOOSA-N 0 0 432.520 4.096 40 0 IIABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(C)cc1 ZINC000137911111 556699176 /nfs/dbraw/zinc/69/91/76/556699176.db2.gz SSSDQYUVFCOGNA-NQIIRXRSSA-N 0 0 434.989 4.317 40 0 IIABRN O=C(c1ccccc1Cn1cccn1)N1CCC[C@@]2(CN(c3cccc(F)c3)C(=O)O2)CC1 ZINC000257202565 556701315 /nfs/dbraw/zinc/70/13/15/556701315.db2.gz AMJKCSBBMUOCTG-VWLOTQADSA-N 0 0 448.498 4.092 40 0 IIABRN COc1cccc(CC(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cc(C)no3)CC2)c1 ZINC000019122871 556701626 /nfs/dbraw/zinc/70/16/26/556701626.db2.gz TUMFYFLXFKXGMH-UHFFFAOYSA-N 0 0 449.555 4.218 40 0 IIABRN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3sc(C)nc3C)CC2)on1 ZINC000019122939 556701974 /nfs/dbraw/zinc/70/19/74/556701974.db2.gz QTNQEJXYTLVYTI-UHFFFAOYSA-N 0 0 438.557 4.107 40 0 IIABRN O=C(CCc1ccccc1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257209439 556702329 /nfs/dbraw/zinc/70/23/29/556702329.db2.gz BQJHJMUEAAGRAJ-HSZRJFAPSA-N 0 0 439.943 4.217 40 0 IIABRN Cn1nc([C@@H]2CN(CCc3ccccc3)CCO2)cc1CCOc1ccccc1Cl ZINC000257209826 556702347 /nfs/dbraw/zinc/70/23/47/556702347.db2.gz BSAQEGNJWKGWCX-DEOSSOPVSA-N 0 0 425.960 4.311 40 0 IIABRN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)Cc3sc(C)nc3C)CC1)N2 ZINC000019128800 556704044 /nfs/dbraw/zinc/70/40/44/556704044.db2.gz VWGUBSHPXZDZCH-DOTOQJQBSA-N 0 0 441.523 4.034 40 0 IIABRN O=C(N1CCOC[C@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2)CCOCC1 ZINC000257320078 556704196 /nfs/dbraw/zinc/70/41/96/556704196.db2.gz VVHDCIBAVCYWKZ-JOCHJYFZSA-N 0 0 430.548 4.001 40 0 IIABRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(Cc2cccs2)C3)cc1 ZINC000019135408 556705732 /nfs/dbraw/zinc/70/57/32/556705732.db2.gz MZEOLJCUGJAYLX-JOCHJYFZSA-N 0 0 448.592 4.478 40 0 IIABRN COc1ccccc1-c1cccc(CC2(C(=O)NCCn3nc(C)cc3C)CCOCC2)c1 ZINC000257336806 556706692 /nfs/dbraw/zinc/70/66/92/556706692.db2.gz YQCLYTOGPWSHCT-UHFFFAOYSA-N 0 0 447.579 4.331 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257220061 556707380 /nfs/dbraw/zinc/70/73/80/556707380.db2.gz DJJFUSWUGQGNNA-QFIPXVFZSA-N 0 0 440.547 4.119 40 0 IIABRN Cc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)cc1 ZINC000019209926 556708885 /nfs/dbraw/zinc/70/88/85/556708885.db2.gz ISVRLJMYQFTTID-QHCPKHFHSA-N 0 0 427.552 4.283 40 0 IIABRN COc1ccccc1CCC(=O)N1CC[C@@H](c2cc(-c3ccc(C)cc3)nc(N(C)C)n2)C1 ZINC000019212171 556709653 /nfs/dbraw/zinc/70/96/53/556709653.db2.gz WLEUSMZJLZZBPW-JOCHJYFZSA-N 0 0 444.579 4.475 40 0 IIABRN COc1cccc(CC(=O)N2CCC3(C[C@@H](Cc4ccccc4)N(CC(C)C)C3=O)CC2)c1 ZINC000257247495 556711109 /nfs/dbraw/zinc/71/11/09/556711109.db2.gz IZGNUUKHPAXDQX-XMMPIXPASA-N 0 0 448.607 4.346 40 0 IIABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(C)c(F)c2)cc(N(C)C)n1 ZINC000019214465 556711412 /nfs/dbraw/zinc/71/14/12/556711412.db2.gz ZTTDZAHFWSUAKP-QFIPXVFZSA-N 0 0 431.515 4.494 40 0 IIABRN Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2)CN3C(=O)c2cccs2)cn1 ZINC000019214905 556711625 /nfs/dbraw/zinc/71/16/25/556711625.db2.gz IVACNPAGQLRFBN-YPAWHYETSA-N 0 0 449.551 4.361 40 0 IIABRN O=C(CN1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccccc1OC(F)F ZINC000257275020 556714187 /nfs/dbraw/zinc/71/41/87/556714187.db2.gz NNPSBUDEPUKHJR-XUZZJYLKSA-N 0 0 446.494 4.067 40 0 IIABRN Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1cccc(F)c1 ZINC000019220079 556714521 /nfs/dbraw/zinc/71/45/21/556714521.db2.gz JAWSMQMMDSCNRH-FTJBHMTQSA-N 0 0 433.527 4.479 40 0 IIABRN COCCNc1nc(C2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc2ccccc21 ZINC000257301913 556717511 /nfs/dbraw/zinc/71/75/11/556717511.db2.gz SAMWGVWXIFWYHR-UHFFFAOYSA-N 0 0 436.531 4.250 40 0 IIABRN Cc1cccc(OC(C)(C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1 ZINC000019235139 556719720 /nfs/dbraw/zinc/71/97/20/556719720.db2.gz SHZBGENJACYNQU-JOCHJYFZSA-N 0 0 444.535 4.126 40 0 IIABRN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2Br)cc1 ZINC000000845583 556721338 /nfs/dbraw/zinc/72/13/38/556721338.db2.gz IIBRHDNJEGNGMN-GOSISDBHSA-N 0 0 446.370 4.279 40 0 IIABRN COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3cccc(-c4ccccc4C)c3)C2)cc1 ZINC000019237461 556722067 /nfs/dbraw/zinc/72/20/67/556722067.db2.gz YZIOSBOMKZOIFF-XMMPIXPASA-N 0 0 442.559 4.030 40 0 IIABRN COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)c1OC ZINC000000867220 556724945 /nfs/dbraw/zinc/72/49/45/556724945.db2.gz YUXQUNNHYUZQBW-SFHVURJKSA-N 0 0 431.945 4.097 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000019239714 556725428 /nfs/dbraw/zinc/72/54/28/556725428.db2.gz KFMOSMIJHZNPJL-JOCHJYFZSA-N 0 0 433.531 4.348 40 0 IIABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)COc1ccccc1 ZINC000019239700 556725456 /nfs/dbraw/zinc/72/54/56/556725456.db2.gz VQQUTQLDNTVKAF-QFIPXVFZSA-N 0 0 431.540 4.046 40 0 IIABRN Cc1nc(-c2ccccc2)c(CC(=O)N2CCC([C@@H]3CNC(=O)c4ccccc43)CC2)s1 ZINC000019240601 556726233 /nfs/dbraw/zinc/72/62/33/556726233.db2.gz VTGVHYHOOGLCIR-QFIPXVFZSA-N 0 0 445.588 4.427 40 0 IIABRN COC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccccc1OC ZINC000000871273 556726585 /nfs/dbraw/zinc/72/65/85/556726585.db2.gz FCPPHEILRVODCB-UHFFFAOYSA-N 0 0 430.526 4.167 40 0 IIABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)n1 ZINC000019290123 556729896 /nfs/dbraw/zinc/72/98/96/556729896.db2.gz DMGCKYITKIPVQH-HXUWFJFHSA-N 0 0 436.604 4.154 40 0 IIABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 ZINC000019290131 556729923 /nfs/dbraw/zinc/72/99/23/556729923.db2.gz RMIHTGSXVNYDQS-FQEVSTJZSA-N 0 0 436.604 4.154 40 0 IIABRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019292790 556731974 /nfs/dbraw/zinc/73/19/74/556731974.db2.gz XCSOKDXXYWFZHI-UHFFFAOYSA-N 0 0 435.336 4.220 40 0 IIABRN Cn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000000881568 556732904 /nfs/dbraw/zinc/73/29/04/556732904.db2.gz GQAGWFWVXHJMAM-UHFFFAOYSA-N 0 0 448.504 4.007 40 0 IIABRN Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)c(=O)[nH]c2c1C ZINC000000889589 556739365 /nfs/dbraw/zinc/73/93/65/556739365.db2.gz HKTYEQALPJKCCA-XMMPIXPASA-N 0 0 440.551 4.399 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)cc2c1 ZINC000000889958 556739406 /nfs/dbraw/zinc/73/94/06/556739406.db2.gz UDYPWPIQPUXQLF-DEOSSOPVSA-N 0 0 440.551 4.399 40 0 IIABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)Nc1ccccc1)OCCO3 ZINC000000891075 556739609 /nfs/dbraw/zinc/73/96/09/556739609.db2.gz QROGABDXLWNJQO-UHFFFAOYSA-N 0 0 447.516 4.292 40 0 IIABRN NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CCc2ccccc2F)C1 ZINC000019348591 556744122 /nfs/dbraw/zinc/74/41/22/556744122.db2.gz KCZBZJSCOBZAIG-VWLOTQADSA-N 0 0 436.552 4.434 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1 ZINC000000907282 556744341 /nfs/dbraw/zinc/74/43/41/556744341.db2.gz VICUAMJAWWAYBG-INIZCTEOSA-N 0 0 443.960 4.212 40 0 IIABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCc2ccccc21 ZINC000000909198 556744810 /nfs/dbraw/zinc/74/48/10/556744810.db2.gz OULSPQLBAPNKHV-HSZRJFAPSA-N 0 0 442.567 4.429 40 0 IIABRN CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCc2ccccc21 ZINC000000910336 556745187 /nfs/dbraw/zinc/74/51/87/556745187.db2.gz NVJCYHYJZOFFFF-QHCPKHFHSA-N 0 0 442.567 4.429 40 0 IIABRN CC(=O)N(CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1C ZINC000000910481 556745272 /nfs/dbraw/zinc/74/52/72/556745272.db2.gz YNMZNTZWLUWSNM-HDLCADABSA-N 0 0 436.511 4.198 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)cc2c1 ZINC000000914434 556746171 /nfs/dbraw/zinc/74/61/71/556746171.db2.gz GJZHJZQWDUXVFP-UHFFFAOYSA-N 0 0 440.496 4.268 40 0 IIABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)N1CCCC1 ZINC000000916473 556747343 /nfs/dbraw/zinc/74/73/43/556747343.db2.gz KAPRVNSEIPOPJX-UHFFFAOYSA-N 0 0 428.945 4.214 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 ZINC000000921696 556750650 /nfs/dbraw/zinc/75/06/50/556750650.db2.gz MIZAHXQDDSCBKA-DEOSSOPVSA-N 0 0 446.526 4.448 40 0 IIABRN Cc1cccc2cc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12 ZINC000000923077 556751189 /nfs/dbraw/zinc/75/11/89/556751189.db2.gz JSVYNRUHMPARDG-UHFFFAOYSA-N 0 0 436.508 4.367 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000019449137 556759390 /nfs/dbraw/zinc/75/93/90/556759390.db2.gz BJPKUUBDUPXMHR-OFVILXPXSA-N 0 0 440.609 4.270 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000019449153 556759410 /nfs/dbraw/zinc/75/94/10/556759410.db2.gz DFJPKWSTRJQBOE-IGKIAQTJSA-N 0 0 434.580 4.209 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H](C)c2ccccc2)C1 ZINC000019459144 556766488 /nfs/dbraw/zinc/76/64/88/556766488.db2.gz ZSFQFWVMDAQQPA-RBTNQOKQSA-N 0 0 441.575 4.450 40 0 IIABRN Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)c4cnccn4)n3)ccc21 ZINC000001238176 556770219 /nfs/dbraw/zinc/77/02/19/556770219.db2.gz WZEHHRNMYQNUJP-UHFFFAOYSA-N 0 0 441.516 4.364 40 0 IIABRN Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)c5cnccn5)n4)ccc32)c1 ZINC000001238178 556770228 /nfs/dbraw/zinc/77/02/28/556770228.db2.gz TYQWRAYUVIXFIP-UHFFFAOYSA-N 0 0 441.516 4.364 40 0 IIABRN CCC[C@@H]1c2cccn2CCN1C(=O)c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1 ZINC000019502093 556773352 /nfs/dbraw/zinc/77/33/52/556773352.db2.gz SDNGBCHLGZEPKV-JOCHJYFZSA-N 0 0 438.572 4.370 40 0 IIABRN COc1cccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)c1 ZINC000001328139 556773663 /nfs/dbraw/zinc/77/36/63/556773663.db2.gz PLOSICMKRWUJTB-QFIPXVFZSA-N 0 0 438.601 4.160 40 0 IIABRN CCCN1CCN(C(=O)c2cncn2CC)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019503220 556774818 /nfs/dbraw/zinc/77/48/18/556774818.db2.gz HUSGVFYCWISTII-HSZRJFAPSA-N 0 0 444.579 4.123 40 0 IIABRN CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019503545 556774986 /nfs/dbraw/zinc/77/49/86/556774986.db2.gz QFJYMKMJLNAWPX-HHHXNRCGSA-N 0 0 442.563 4.135 40 0 IIABRN CCc1[nH]nc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(NC)nc(C3CC3)n2)c1C ZINC000019520976 556777644 /nfs/dbraw/zinc/77/76/44/556777644.db2.gz FROMKNRLIOOLMO-FQEVSTJZSA-N 0 0 443.555 4.185 40 0 IIABRN CCc1[nH]nc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(NC)nc(C3CC3)n2)c1C ZINC000019520977 556777659 /nfs/dbraw/zinc/77/76/59/556777659.db2.gz FROMKNRLIOOLMO-HXUWFJFHSA-N 0 0 443.555 4.185 40 0 IIABRN CCc1noc(C)c1C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1C ZINC000019521241 556778105 /nfs/dbraw/zinc/77/81/05/556778105.db2.gz KIVXPDFOEYICFW-FQEVSTJZSA-N 0 0 434.544 4.139 40 0 IIABRN COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc(C)cc4C)CC3)n2)c1 ZINC000001349890 556780387 /nfs/dbraw/zinc/78/03/87/556780387.db2.gz HUZZUWNUXFKOHM-UHFFFAOYSA-N 0 0 436.581 4.196 40 0 IIABRN Cc1csc(N(C)C(=O)CSc2nnc(-c3ccccc3Br)o2)n1 ZINC000001350566 556780453 /nfs/dbraw/zinc/78/04/53/556780453.db2.gz TXBJOVFSCNFQBN-UHFFFAOYSA-N 0 0 425.333 4.019 40 0 IIABRN CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)c2sccn12 ZINC000019523105 556780451 /nfs/dbraw/zinc/78/04/51/556780451.db2.gz OJNJKHZJTAIDBO-QGZVFWFLSA-N 0 0 434.569 4.455 40 0 IIABRN CCn1ncc(S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)c1C ZINC000019524022 556781237 /nfs/dbraw/zinc/78/12/37/556781237.db2.gz GQGUUAQGURBBFM-FQEVSTJZSA-N 0 0 444.557 4.181 40 0 IIABRN CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c1C ZINC000019524017 556781356 /nfs/dbraw/zinc/78/13/56/556781356.db2.gz FYMRFHLNFSOXKP-HXUWFJFHSA-N 0 0 444.557 4.181 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000001357258 556783043 /nfs/dbraw/zinc/78/30/43/556783043.db2.gz XMQSHJSDZIUMOY-OAQYLSRUSA-N 0 0 435.553 4.079 40 0 IIABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)n21)CCCC3 ZINC000001372277 556785029 /nfs/dbraw/zinc/78/50/29/556785029.db2.gz ALKSDIYOBZKMKU-STQMWFEESA-N 0 0 429.615 4.408 40 0 IIABRN CCN1CCN(C(=O)CC[C@H]2CCCO2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000019527323 556785406 /nfs/dbraw/zinc/78/54/06/556785406.db2.gz GMOTWJDYGJTQCI-JWQCQUIFSA-N 0 0 434.580 4.162 40 0 IIABRN CCN1CCN(C(=O)CC[C@@H]2CCCO2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019527412 556785787 /nfs/dbraw/zinc/78/57/87/556785787.db2.gz CSLFVWNUQHATOM-YADHBBJMSA-N 0 0 440.609 4.224 40 0 IIABRN CCN1CCN(Cc2cnc(C(C)C)nc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527454 556785790 /nfs/dbraw/zinc/78/57/90/556785790.db2.gz RFYHYVAMWYRQBD-RUZDIDTESA-N 0 0 443.595 4.185 40 0 IIABRN CCN1CCN(C(=O)c2ccccn2)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O ZINC000019527527 556786091 /nfs/dbraw/zinc/78/60/91/556786091.db2.gz YQXGFWGYNLJTJV-QHCPKHFHSA-N 0 0 427.548 4.220 40 0 IIABRN CCN1CCN(C(=O)c2c(C)noc2C)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000019527608 556786273 /nfs/dbraw/zinc/78/62/73/556786273.db2.gz KJUTTYQNPYPPSK-HSZRJFAPSA-N 0 0 445.563 4.430 40 0 IIABRN COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)CCc2ccccc2)cc1 ZINC000001359820 556786627 /nfs/dbraw/zinc/78/66/27/556786627.db2.gz YQYSSSPWVHJPJT-UHFFFAOYSA-N 0 0 427.504 4.093 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)CC2CCCCC2)C1 ZINC000019528519 556787850 /nfs/dbraw/zinc/78/78/50/556787850.db2.gz DJTMRTBQXQEXID-MHZLTWQESA-N 0 0 448.611 4.401 40 0 IIABRN Cc1csc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2cc(C)ccc2C)n1 ZINC000001362345 556788322 /nfs/dbraw/zinc/78/83/22/556788322.db2.gz ZKMUBIMZCUDDIB-UHFFFAOYSA-N 0 0 436.566 4.442 40 0 IIABRN CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2cccnc2)C1 ZINC000019528663 556788738 /nfs/dbraw/zinc/78/87/38/556788738.db2.gz CNXJQQVCUODCDO-MHZLTWQESA-N 0 0 445.538 4.489 40 0 IIABRN COc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)cc4)no3)C2)cc(OC)c1OC ZINC000001363478 556789284 /nfs/dbraw/zinc/78/92/84/556789284.db2.gz WZKNZKRTWSZZKW-QGZVFWFLSA-N 0 0 437.496 4.091 40 0 IIABRN CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000019528809 556789403 /nfs/dbraw/zinc/78/94/03/556789403.db2.gz PEIACVNQKBGOHM-FIPFOOKPSA-N 0 0 446.591 4.450 40 0 IIABRN CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000019528899 556789561 /nfs/dbraw/zinc/78/95/61/556789561.db2.gz YCDOMCMYJAPZNC-NDEPHWFRSA-N 0 0 441.575 4.197 40 0 IIABRN CC1CCN(C(=O)CSc2nnc3n(Cc4ccccc4F)c4ccccc4n23)CC1 ZINC000001364958 556789897 /nfs/dbraw/zinc/78/98/97/556789897.db2.gz XMAHPEHSERHAMW-UHFFFAOYSA-N 0 0 437.544 4.222 40 0 IIABRN O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1cccs1)C(=O)C(F)(F)F ZINC000001365693 556790120 /nfs/dbraw/zinc/79/01/20/556790120.db2.gz VBXVSHULRPBQPT-KRWDZBQOSA-N 0 0 425.476 4.224 40 0 IIABRN Cc1sc(NC(=O)CCC2CCCC2)nc1-c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000001366074 556790765 /nfs/dbraw/zinc/79/07/65/556790765.db2.gz BDVGKOIRRBFFTN-UHFFFAOYSA-N 0 0 433.599 4.350 40 0 IIABRN CCOCc1cc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019531161 556791774 /nfs/dbraw/zinc/79/17/74/556791774.db2.gz DALQUVNYYUNSMU-QFIPXVFZSA-N 0 0 434.540 4.104 40 0 IIABRN CCOc1ccc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1 ZINC000019532981 556793080 /nfs/dbraw/zinc/79/30/80/556793080.db2.gz SMHHAYMVIGJVQR-NRFANRHFSA-N 0 0 449.555 4.201 40 0 IIABRN Cc1ccccc1N(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1cccnc1 ZINC000001376617 556793804 /nfs/dbraw/zinc/79/38/04/556793804.db2.gz WEAHWXAXTWUYBS-VWLOTQADSA-N 0 0 436.515 4.490 40 0 IIABRN COc1cccc(C(=O)N2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)CC2)c1 ZINC000001377052 556794252 /nfs/dbraw/zinc/79/42/52/556794252.db2.gz UYZZJHPCYRPJTO-UHFFFAOYSA-N 0 0 448.592 4.419 40 0 IIABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 ZINC000001378434 556795622 /nfs/dbraw/zinc/79/56/22/556795622.db2.gz TVZAIGWQRGVKLB-LJQANCHMSA-N 0 0 444.557 4.181 40 0 IIABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2csnn2)o1 ZINC000001378457 556795645 /nfs/dbraw/zinc/79/56/45/556795645.db2.gz GQKPOJJZFRLZLC-IBGZPJMESA-N 0 0 444.582 4.334 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000001378553 556795680 /nfs/dbraw/zinc/79/56/80/556795680.db2.gz HHKJVAJWCRVLGU-OAQYLSRUSA-N 0 0 438.528 4.433 40 0 IIABRN Cc1ncc(C(=O)N2CCC[C@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)c(C)n1 ZINC000019552479 556796252 /nfs/dbraw/zinc/79/62/52/556796252.db2.gz YOXCSOKUEDUTTB-KRWDZBQOSA-N 0 0 432.450 4.256 40 0 IIABRN O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000001380199 556796352 /nfs/dbraw/zinc/79/63/52/556796352.db2.gz WLGNEZJJRXYUQX-HSZRJFAPSA-N 0 0 432.476 4.455 40 0 IIABRN COc1ccc(-c2noc([C@@H]3CN(C(=O)c4ccc5c(c4)c(C)c(C)n5C)CCO3)n2)cc1 ZINC000019554601 556797980 /nfs/dbraw/zinc/79/79/80/556797980.db2.gz RLYRBLUISLBIMO-QFIPXVFZSA-N 0 0 446.507 4.067 40 0 IIABRN COc1ccc(CCC(=O)N2CC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)cc1 ZINC000019554460 556798031 /nfs/dbraw/zinc/79/80/31/556798031.db2.gz HZWCFGKCTZNEMB-AREMUKBSSA-N 0 0 448.588 4.303 40 0 IIABRN Cc1sc2nc(C)n(C3CCN(C(=O)c4nccc5ccccc54)CC3)c(=O)c2c1C ZINC000019561207 556802516 /nfs/dbraw/zinc/80/25/16/556802516.db2.gz TZKBSOUVISXKNJ-UHFFFAOYSA-N 0 0 432.549 4.409 40 0 IIABRN COc1ccc([C@H]2N[C@@H](c3cccnc3OC)Cc3cc(OC)c(OC)cc32)cc1OC ZINC000019561361 556802794 /nfs/dbraw/zinc/80/27/94/556802794.db2.gz DDASVOQXVVOZNE-NTKDMRAZSA-N 0 0 436.508 4.101 40 0 IIABRN Cc1nc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)n1 ZINC000019563806 556804617 /nfs/dbraw/zinc/80/46/17/556804617.db2.gz VPGLSLBHNYNLOJ-IAQYHMDHSA-N 0 0 432.475 4.034 40 0 IIABRN Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(C[C@@H]1COc2ccccc2O1)C(=O)O3 ZINC000019565670 556806436 /nfs/dbraw/zinc/80/64/36/556806436.db2.gz RDCAGTYQNHSOPM-GOSISDBHSA-N 0 0 446.438 4.022 40 0 IIABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2)n1 ZINC000061135435 556809362 /nfs/dbraw/zinc/80/93/62/556809362.db2.gz XLVNGXFBMZWPCC-UHFFFAOYSA-N 0 0 428.492 4.324 40 0 IIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000019569141 556809414 /nfs/dbraw/zinc/80/94/14/556809414.db2.gz RADFSCOEYGISJY-UHFFFAOYSA-N 0 0 431.480 4.392 40 0 IIABRN Cc1cc(C)cc(-c2ccc(C[C@H]3CN(C(=O)c4ccccn4)CCN(C)C3=O)cc2)c1 ZINC000019569819 556809909 /nfs/dbraw/zinc/80/99/09/556809909.db2.gz FKGCVYGVDHBHKS-DEOSSOPVSA-N 0 0 427.548 4.139 40 0 IIABRN COc1ccccc1CCC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 ZINC000019569806 556809921 /nfs/dbraw/zinc/80/99/21/556809921.db2.gz FDFUJJOJQQXTJJ-AREMUKBSSA-N 0 0 448.588 4.303 40 0 IIABRN COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000019571612 556811835 /nfs/dbraw/zinc/81/18/35/556811835.db2.gz COLVEAWDEVTDMR-MUUNZHRXSA-N 0 0 442.559 4.242 40 0 IIABRN Cc1[nH]c2c(cccc2C(=O)N2CCO[C@@H](c3nc(Cc4ccccc4F)no3)C2)c1C ZINC000019576903 556815235 /nfs/dbraw/zinc/81/52/35/556815235.db2.gz RLCPADSLXPDSTH-HXUWFJFHSA-N 0 0 434.471 4.111 40 0 IIABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)Cc2ccccn2)C1 ZINC000019579155 556816680 /nfs/dbraw/zinc/81/66/80/556816680.db2.gz GVKJJXDSVLWHHZ-SANMLTNESA-N 0 0 447.604 4.292 40 0 IIABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1 ZINC000019579295 556816850 /nfs/dbraw/zinc/81/68/50/556816850.db2.gz DSQRANRYYAURBW-MHZLTWQESA-N 0 0 445.538 4.441 40 0 IIABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000019579920 556817782 /nfs/dbraw/zinc/81/77/82/556817782.db2.gz JRVKJQMXHUIWLP-DHLKQENFSA-N 0 0 440.609 4.224 40 0 IIABRN COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000063305226 556820665 /nfs/dbraw/zinc/82/06/65/556820665.db2.gz SEYWIDLANHIQHI-UHFFFAOYSA-N 0 0 440.521 4.130 40 0 IIABRN COc1cccc(CC(=O)N2CCN(C)C(=O)[C@H](Cc3ccccc3-c3ccccc3)C2)c1 ZINC000019589604 556824364 /nfs/dbraw/zinc/82/43/64/556824364.db2.gz YJJPRLRTRKQXKL-XMMPIXPASA-N 0 0 442.559 4.064 40 0 IIABRN CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000096520875 556824743 /nfs/dbraw/zinc/82/47/43/556824743.db2.gz BVFXGMNIDRQKRD-HNNXBMFYSA-N 0 0 448.176 4.265 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000019591366 556826627 /nfs/dbraw/zinc/82/66/27/556826627.db2.gz LJPFEOXQPMAGGY-WXVAWEFUSA-N 0 0 432.564 4.060 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000019591484 556826897 /nfs/dbraw/zinc/82/68/97/556826897.db2.gz VKSRSBVTRPTFCK-RUZDIDTESA-N 0 0 436.552 4.304 40 0 IIABRN CNc1cc([C@H]2CCCN(C(=O)Cn3ccc4ccc(F)cc43)C2)nc(-c2ccncc2)n1 ZINC000019592265 556828452 /nfs/dbraw/zinc/82/84/52/556828452.db2.gz KSQDXAXMGGQGRO-IBGZPJMESA-N 0 0 444.514 4.080 40 0 IIABRN COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000019592925 556829244 /nfs/dbraw/zinc/82/92/44/556829244.db2.gz XYWKZAMJWJELKV-HSZRJFAPSA-N 0 0 436.533 4.130 40 0 IIABRN Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000006301360 556832380 /nfs/dbraw/zinc/83/23/80/556832380.db2.gz DNIIQTGOHMQIKR-QFIPXVFZSA-N 0 0 449.620 4.243 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)cc12 ZINC000006322215 556833106 /nfs/dbraw/zinc/83/31/06/556833106.db2.gz JYGXRNDOZAPSDU-XDHUDOTRSA-N 0 0 442.567 4.001 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC[C@H]3CCCO3)cc12 ZINC000006321971 556833178 /nfs/dbraw/zinc/83/31/78/556833178.db2.gz ALWNDZLLGMDULU-GOSISDBHSA-N 0 0 441.622 4.262 40 0 IIABRN COCCCNC(=S)N(Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000006406890 556834553 /nfs/dbraw/zinc/83/45/53/556834553.db2.gz PARKHXQIASZBIC-UHFFFAOYSA-N 0 0 437.609 4.367 40 0 IIABRN Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000006409683 556835096 /nfs/dbraw/zinc/83/50/96/556835096.db2.gz LZFBFJMAEISHIQ-UHFFFAOYSA-N 0 0 437.565 4.098 40 0 IIABRN Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCCCC3)c(=O)[nH]c2c1C ZINC000006442407 556835541 /nfs/dbraw/zinc/83/55/41/556835541.db2.gz UHQLXYFYKQIZKQ-DEOSSOPVSA-N 0 0 442.567 4.145 40 0 IIABRN CC[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000260503989 556837391 /nfs/dbraw/zinc/83/73/91/556837391.db2.gz AXTDRSOFTQNPMQ-QRWLVFNGSA-N 0 0 440.968 4.161 40 0 IIABRN CC[C@H]1c2c(c(OC)c3c(c2OC)OCO3)[C@H](c2cc(OC)c3c(c2OC)OCO3)[C@@H]1C ZINC000066088611 556839938 /nfs/dbraw/zinc/83/99/38/556839938.db2.gz PVKRXUUMQQBHIQ-JMSVASOKSA-N 0 0 444.480 4.454 40 0 IIABRN O=C(Nc1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1)c1cccs1 ZINC000008690235 556842377 /nfs/dbraw/zinc/84/23/77/556842377.db2.gz RJIXGGZPULLIRV-UHFFFAOYSA-N 0 0 429.548 4.022 40 0 aggregator IIABRN CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019689341 556843920 /nfs/dbraw/zinc/84/39/20/556843920.db2.gz AEVNNPBYCQISOD-HXUWFJFHSA-N 0 0 448.498 4.097 40 0 IIABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCc4ccccc43)cc2c1 ZINC000008671882 556844023 /nfs/dbraw/zinc/84/40/23/556844023.db2.gz ISGMIHLSQOEQFW-VWLOTQADSA-N 0 0 448.530 4.023 40 0 IIABRN Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1 ZINC000008673006 556844141 /nfs/dbraw/zinc/84/41/41/556844141.db2.gz YBMCIADJDUTHNT-GBXCKJPGSA-N 0 0 449.576 4.064 40 0 IIABRN COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)c4noc(C)c4CN(C)C)C3)nc2)c1 ZINC000019690206 556845619 /nfs/dbraw/zinc/84/56/19/556845619.db2.gz JWJAYILJRWYKBI-OAQYLSRUSA-N 0 0 448.567 4.059 40 0 IIABRN Cc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)CCc3nc4ccccc4n3C)CC2)n1 ZINC000019692114 556848172 /nfs/dbraw/zinc/84/81/72/556848172.db2.gz BKWRKGIGFRZGLH-UHFFFAOYSA-N 0 0 442.567 4.016 40 0 IIABRN Cc1nc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cs1 ZINC000019694224 556849619 /nfs/dbraw/zinc/84/96/19/556849619.db2.gz SKAJXBWPQMOCNC-KRWDZBQOSA-N 0 0 439.560 4.062 40 0 IIABRN Cc1nc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cs1 ZINC000019694341 556850124 /nfs/dbraw/zinc/85/01/24/556850124.db2.gz ZFYMANZPTXOMAA-FQEVSTJZSA-N 0 0 439.560 4.410 40 0 IIABRN Cc1nc(CC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cs1 ZINC000019694342 556850141 /nfs/dbraw/zinc/85/01/41/556850141.db2.gz ZFYMANZPTXOMAA-HXUWFJFHSA-N 0 0 439.560 4.410 40 0 IIABRN COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCCN1Cc1ccncc1 ZINC000019694842 556851037 /nfs/dbraw/zinc/85/10/37/556851037.db2.gz FVWWONODGVOKSY-HXUWFJFHSA-N 0 0 433.556 4.349 40 0 IIABRN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1C ZINC000008934817 556852720 /nfs/dbraw/zinc/85/27/20/556852720.db2.gz GAVYPAUOBNOHON-UHFFFAOYSA-N 0 0 432.933 4.095 40 0 IIABRN O=C(c1ccncc1)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 ZINC000019695908 556852905 /nfs/dbraw/zinc/85/29/05/556852905.db2.gz SFEMZANGGYJTIS-UHFFFAOYSA-N 0 0 430.487 4.124 40 0 IIABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(O)cc3Br)S2)cc1 ZINC000408779789 556853918 /nfs/dbraw/zinc/85/39/18/556853918.db2.gz KKIVVNWCARAHSC-VZZQTLFRSA-N 0 0 435.343 4.325 40 0 IIABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)cc(OC)c3O)S2)cc1 ZINC000408782403 556855135 /nfs/dbraw/zinc/85/51/35/556855135.db2.gz IEKBHXKPWDTDIL-VPEZWSJASA-N 0 0 435.343 4.325 40 0 IIABRN COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)Cc4cccc(F)c4)nc32)c1 ZINC000019698669 556857404 /nfs/dbraw/zinc/85/74/04/556857404.db2.gz MPRNWZVUHZYHCX-UHFFFAOYSA-N 0 0 434.515 4.044 40 0 IIABRN CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(Br)c1O ZINC000408803183 556859782 /nfs/dbraw/zinc/85/97/82/556859782.db2.gz MDIAFAWLRUUFQE-UHFFFAOYSA-N 0 0 438.298 4.455 40 0 IIABRN CNC(=O)c1ccc(-c2ccc(CNC(=O)CCc3nc4ccccc4s3)cc2)nc1C ZINC000019700571 556859843 /nfs/dbraw/zinc/85/98/43/556859843.db2.gz HQXLJUCBFPOORB-UHFFFAOYSA-N 0 0 444.560 4.275 40 0 IIABRN O=C(c1ccncc1)N1CCC[C@@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000019703607 556861868 /nfs/dbraw/zinc/86/18/68/556861868.db2.gz NLHRXPNONWXWGF-HXUWFJFHSA-N 0 0 430.430 4.422 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)nc2c1CCCN2CC1CC1 ZINC000019706614 556864924 /nfs/dbraw/zinc/86/49/24/556864924.db2.gz HBLRDLXIKLHWHA-HXUWFJFHSA-N 0 0 443.595 4.378 40 0 IIABRN COc1cc2c(cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)CCCC2 ZINC000408851893 556869811 /nfs/dbraw/zinc/86/98/11/556869811.db2.gz BDWNLADUQOLGRE-HXUWFJFHSA-N 0 0 448.972 4.019 40 0 IIABRN COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)c1 ZINC000019709315 556870649 /nfs/dbraw/zinc/87/06/49/556870649.db2.gz YZQXAVCAIAJARV-XMMPIXPASA-N 0 0 447.510 4.445 40 0 IIABRN COc1ccccc1CN1C(=O)Cc2c1nc([C@H]1CCCN1C(=O)CC1CCCC1)nc2C ZINC000019739828 556879106 /nfs/dbraw/zinc/87/91/06/556879106.db2.gz RWLDJFKAIIFZQX-OAQYLSRUSA-N 0 0 448.567 4.127 40 0 IIABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)Cc3ccccn3)cc(C(F)(F)F)c12 ZINC000019742561 556886482 /nfs/dbraw/zinc/88/64/82/556886482.db2.gz NDQBDPYJXINRDL-INIZCTEOSA-N 0 0 432.450 4.098 40 0 IIABRN Cc1ncc(C(=O)N2CCC([C@]3(C)CCCCN(CCc4ccccc4)C3=O)CC2)c(C)n1 ZINC000019744036 556889629 /nfs/dbraw/zinc/88/96/29/556889629.db2.gz ODXIVWIWDRVBEC-MHZLTWQESA-N 0 0 448.611 4.207 40 0 IIABRN Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3nc4c(c(C)n3)CC(=O)N4CC(C)C)cc2s1 ZINC000019744351 556890513 /nfs/dbraw/zinc/89/05/13/556890513.db2.gz POLZLRWCGXPKBS-LJQANCHMSA-N 0 0 449.580 4.226 40 0 IIABRN Cc1nn(C)c2nc(C3CCN(C(=O)CCn4cnc5cc(C)c(C)cc54)CC3)ccc12 ZINC000019744606 556890963 /nfs/dbraw/zinc/89/09/63/556890963.db2.gz CYLKLKUNQMWBDC-UHFFFAOYSA-N 0 0 430.556 4.040 40 0 IIABRN Cc1cccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)c1C ZINC000408922783 556892404 /nfs/dbraw/zinc/89/24/04/556892404.db2.gz SHXHKIAXYVEHFA-UHFFFAOYSA-N 0 0 434.561 4.084 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2ccccn2)nc2c1CCCN2CCc1ccccn1 ZINC000019752964 556896674 /nfs/dbraw/zinc/89/66/74/556896674.db2.gz HEKQPZIVERDPLT-XMMPIXPASA-N 0 0 428.584 4.298 40 0 IIABRN Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000019754291 556897583 /nfs/dbraw/zinc/89/75/83/556897583.db2.gz XPDDIGLCQHGVGK-UHFFFAOYSA-N 0 0 426.536 4.173 40 0 IIABRN Cc1cc(CCCC(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)ccc1F ZINC000019756202 556899711 /nfs/dbraw/zinc/89/97/11/556899711.db2.gz AHQFWZVGIYORKO-JOCHJYFZSA-N 0 0 438.547 4.155 40 0 IIABRN Cn1c(C(=O)N2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc2cc(Cl)ccc21 ZINC000019756876 556900931 /nfs/dbraw/zinc/90/09/31/556900931.db2.gz HATCXAVCPIYHHE-CQSZACIVSA-N 0 0 432.911 4.109 40 0 IIABRN COc1c(C)cccc1C(=O)N1CC[C@@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758005 556901876 /nfs/dbraw/zinc/90/18/76/556901876.db2.gz KKMKNUSLENFFKX-QGZVFWFLSA-N 0 0 448.498 4.123 40 0 IIABRN O=C1N[C@]2(COC3(C2)CCN(Cc2ccc(Cl)c(Cl)c2)CC3)Nc2ccccc21 ZINC000072325412 556902575 /nfs/dbraw/zinc/90/25/75/556902575.db2.gz SNCATRURHANVKC-JOCHJYFZSA-N 0 0 432.351 4.300 40 0 IIABRN COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)c1 ZINC000408970816 556904393 /nfs/dbraw/zinc/90/43/93/556904393.db2.gz KSEMLPQUFAHHGQ-UHFFFAOYSA-N 0 0 435.293 4.088 40 0 IIABRN Cc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408973497 556904713 /nfs/dbraw/zinc/90/47/13/556904713.db2.gz SUFCVKIYRLIXTM-UHFFFAOYSA-N 0 0 428.941 4.478 40 0 IIABRN Cc1cc(N2CC[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)nc(C)n1 ZINC000019761337 556904809 /nfs/dbraw/zinc/90/48/09/556904809.db2.gz HJGPXPHNQJLRSM-MRXNPFEDSA-N 0 0 430.537 4.344 40 0 IIABRN CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)nc2ccccc21 ZINC000019762528 556907054 /nfs/dbraw/zinc/90/70/54/556907054.db2.gz PSBTZVKAMGKOJU-DEOSSOPVSA-N 0 0 449.526 4.045 40 0 IIABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)n1 ZINC000072334724 556907479 /nfs/dbraw/zinc/90/74/79/556907479.db2.gz COTXYJAHKLLGLJ-NRFANRHFSA-N 0 0 438.535 4.427 40 0 IIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)n1 ZINC000072334725 556907492 /nfs/dbraw/zinc/90/74/92/556907492.db2.gz COTXYJAHKLLGLJ-OAQYLSRUSA-N 0 0 438.535 4.427 40 0 IIABRN O=C(NCc1ccc2c(c1)OCO2)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408981041 556907783 /nfs/dbraw/zinc/90/77/83/556907783.db2.gz YKYAAHBQXFSOLG-UHFFFAOYSA-N 0 0 437.459 4.279 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)C2CCCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764925 556909675 /nfs/dbraw/zinc/90/96/75/556909675.db2.gz MCYQPNCKFKCYMI-JOCHJYFZSA-N 0 0 438.547 4.488 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2cccc(OCc3ccccn3)c2)ncc1C(=O)N(C)C ZINC000019765579 556910189 /nfs/dbraw/zinc/91/01/89/556910189.db2.gz BARMGFFHELJGLE-XMMPIXPASA-N 0 0 445.567 4.188 40 0 IIABRN Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000019766737 556911905 /nfs/dbraw/zinc/91/19/05/556911905.db2.gz LYHNLTMCSCADHJ-QFIPXVFZSA-N 0 0 438.547 4.283 40 0 IIABRN C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(F)cc1 ZINC000408997345 556912734 /nfs/dbraw/zinc/91/27/34/556912734.db2.gz FPNRXUGACNHIPB-IIBYNOLFSA-N 0 0 445.487 4.050 40 0 IIABRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(F)cc1 ZINC000408997341 556912740 /nfs/dbraw/zinc/91/27/40/556912740.db2.gz FPNRXUGACNHIPB-HRAATJIYSA-N 0 0 445.487 4.050 40 0 IIABRN Cc1cc(C)n(CCCC(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)n1 ZINC000072340844 556912943 /nfs/dbraw/zinc/91/29/43/556912943.db2.gz RXILDIRHSNLAGL-UHFFFAOYSA-N 0 0 448.493 4.056 40 0 IIABRN Cc1cc2nc([C@H]3CCCN(C(=O)c4cc(-c5ccco5)on4)C3)cc(C(F)(F)F)n2n1 ZINC000072340941 556913077 /nfs/dbraw/zinc/91/30/77/556913077.db2.gz GJKIHSODBNETPK-ZDUSSCGKSA-N 0 0 445.401 4.324 40 0 IIABRN Cc1cc2nc([C@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)cc(C(F)(F)F)n2n1 ZINC000072340923 556913079 /nfs/dbraw/zinc/91/30/79/556913079.db2.gz PCXAFUMBOFSARA-INIZCTEOSA-N 0 0 428.458 4.494 40 0 IIABRN CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 ZINC000072341480 556913748 /nfs/dbraw/zinc/91/37/48/556913748.db2.gz WXIVZXSUMQXETC-OAQYLSRUSA-N 0 0 431.540 4.371 40 0 IIABRN COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 ZINC000408999507 556914012 /nfs/dbraw/zinc/91/40/12/556914012.db2.gz DCGHMDHGMMNERJ-QFIPXVFZSA-N 0 0 434.492 4.180 40 0 IIABRN CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000072345027 556916354 /nfs/dbraw/zinc/91/63/54/556916354.db2.gz YTIIVRQGOJOKHW-UHFFFAOYSA-N 0 0 441.575 4.197 40 0 IIABRN CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cnccn2)CC1 ZINC000072345275 556916745 /nfs/dbraw/zinc/91/67/45/556916745.db2.gz TVOYSQBVKGDAMK-UHFFFAOYSA-N 0 0 448.592 4.195 40 0 IIABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072346026 556917263 /nfs/dbraw/zinc/91/72/63/556917263.db2.gz UATVVFUOYSFSIK-INIZCTEOSA-N 0 0 427.430 4.159 40 0 IIABRN CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000409015512 556920781 /nfs/dbraw/zinc/92/07/81/556920781.db2.gz ZYHDSAFJEOQVSK-LZYBPNLTSA-N 0 0 449.276 4.088 40 0 IIABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000019818586 556921318 /nfs/dbraw/zinc/92/13/18/556921318.db2.gz IMLMBTSQNKGCLC-DHIUTWEWSA-N 0 0 425.488 4.352 40 0 IIABRN COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc(OC)c1OC ZINC000409021382 556922507 /nfs/dbraw/zinc/92/25/07/556922507.db2.gz FAJPONVAJDLATP-UHFFFAOYSA-N 0 0 446.931 4.165 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000409029021 556924940 /nfs/dbraw/zinc/92/49/40/556924940.db2.gz XIJCQYYOCUVIFQ-UHFFFAOYSA-N 0 0 442.793 4.042 40 0 IIABRN COc1ccc2c(c1)c(C)c(C(=O)N1CCC[C@@H]1c1ccc(Nc3cnccn3)cn1)n2C ZINC000072353122 556925319 /nfs/dbraw/zinc/92/53/19/556925319.db2.gz XEYWEMTZDWFMIQ-JOCHJYFZSA-N 0 0 442.523 4.401 40 0 IIABRN COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H]1c1ccc(Nc3ccccn3)cn1)CO2 ZINC000072353107 556925351 /nfs/dbraw/zinc/92/53/51/556925351.db2.gz SEUIMHVNFWCUFC-QFIPXVFZSA-N 0 0 428.492 4.368 40 0 IIABRN CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353124 556925519 /nfs/dbraw/zinc/92/55/19/556925519.db2.gz PZOWETZVVIGNOZ-HSZRJFAPSA-N 0 0 430.556 4.189 40 0 IIABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409026561 556926153 /nfs/dbraw/zinc/92/61/53/556926153.db2.gz SDXWNJRPEJHURK-RUZDIDTESA-N 0 0 446.528 4.484 40 0 IIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)cc1 ZINC000072353437 556926486 /nfs/dbraw/zinc/92/64/86/556926486.db2.gz HGZWJVRCDWNFHD-GOSISDBHSA-N 0 0 447.539 4.187 40 0 IIABRN CC(C)C(NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)C(C)C ZINC000409027580 556926685 /nfs/dbraw/zinc/92/66/85/556926685.db2.gz FYPSPCVRCSFYNF-GOSISDBHSA-N 0 0 432.586 4.430 40 0 IIABRN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072353903 556928280 /nfs/dbraw/zinc/92/82/80/556928280.db2.gz CNWNQEYYPRNWMW-HXUWFJFHSA-N 0 0 436.021 4.400 40 0 IIABRN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)N(C)C1=S ZINC000409035475 556928540 /nfs/dbraw/zinc/92/85/40/556928540.db2.gz SUFQBXXXNWAZDN-ATVHPVEESA-N 0 0 431.355 4.448 40 0 IIABRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)N(C)C1=S ZINC000409037165 556928724 /nfs/dbraw/zinc/92/87/24/556928724.db2.gz XUIUPMZVROQZQB-YVLHZVERSA-N 0 0 434.920 4.486 40 0 IIABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-n4ccnc4C(C)C)n3)C2)cc1 ZINC000072355375 556930221 /nfs/dbraw/zinc/93/02/21/556930221.db2.gz QMGQDJIJWAOUOK-FQEVSTJZSA-N 0 0 433.556 4.133 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)CC1 ZINC000072356200 556930790 /nfs/dbraw/zinc/93/07/90/556930790.db2.gz UGUGHEJPFSRHTR-VWLOTQADSA-N 0 0 433.596 4.254 40 0 IIABRN CCN(CC)C(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409056126 556933805 /nfs/dbraw/zinc/93/38/05/556933805.db2.gz MNSBCHSKQSRJPE-UHFFFAOYSA-N 0 0 429.369 4.053 40 0 IIABRN Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)cc1 ZINC000409057215 556934592 /nfs/dbraw/zinc/93/45/92/556934592.db2.gz UVXZNQUBRZKQEJ-UHFFFAOYSA-N 0 0 439.987 4.158 40 0 IIABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867617 556934861 /nfs/dbraw/zinc/93/48/61/556934861.db2.gz IACDARBRYHYQMO-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000019867834 556934878 /nfs/dbraw/zinc/93/48/78/556934878.db2.gz QNZWIZFHRODJLX-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN CC[C@@H](C)NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409057893 556934952 /nfs/dbraw/zinc/93/49/52/556934952.db2.gz LQLMGXGAZSXTLW-CQSZACIVSA-N 0 0 429.369 4.099 40 0 IIABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1Cl ZINC000019868006 556934997 /nfs/dbraw/zinc/93/49/97/556934997.db2.gz JEQASGMPAPHDMH-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1cc(N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)nc(C)n1 ZINC000072371423 556938659 /nfs/dbraw/zinc/93/86/59/556938659.db2.gz FHWMTYVRTSPPRF-INIZCTEOSA-N 0 0 431.462 4.451 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409055308 556938786 /nfs/dbraw/zinc/93/87/86/556938786.db2.gz DTZYHOFPEVZEMI-UHFFFAOYSA-N 0 0 429.369 4.017 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 ZINC000409061671 556939410 /nfs/dbraw/zinc/93/94/10/556939410.db2.gz ZNNICUOKXSIFSL-UHFFFAOYSA-N 0 0 430.476 4.103 40 0 IIABRN COCc1ccc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cc1 ZINC000072371607 556939778 /nfs/dbraw/zinc/93/97/78/556939778.db2.gz NOIHEHQITQHSGV-IBGZPJMESA-N 0 0 439.943 4.461 40 0 IIABRN CC(C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409062197 556939944 /nfs/dbraw/zinc/93/99/44/556939944.db2.gz PMMBBUJEIUYNDT-UHFFFAOYSA-N 0 0 449.787 4.362 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000072371868 556941132 /nfs/dbraw/zinc/94/11/32/556941132.db2.gz NHJVKUILQOVMBA-NRFANRHFSA-N 0 0 436.531 4.257 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2ccccc2Cl)cc1 ZINC000409065369 556941358 /nfs/dbraw/zinc/94/13/58/556941358.db2.gz ROZAEPRQSHEBSR-UHFFFAOYSA-N 0 0 434.989 4.098 40 0 IIABRN COc1cccc(CN2C(=O)Cc3c2nc([C@H]2CCCN2C(=O)C2CCCCC2)nc3C)c1 ZINC000072371889 556941417 /nfs/dbraw/zinc/94/14/17/556941417.db2.gz VHDURUPYWVQNDI-JOCHJYFZSA-N 0 0 448.567 4.127 40 0 IIABRN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000072372518 556942833 /nfs/dbraw/zinc/94/28/33/556942833.db2.gz XNCFODBQBHGQMB-NRFANRHFSA-N 0 0 441.532 4.205 40 0 IIABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000409075434 556943520 /nfs/dbraw/zinc/94/35/20/556943520.db2.gz YTCNVLIYXPPPBT-OTGIAGGSSA-N 0 0 445.468 4.011 40 0 IIABRN Cc1ccc(OCCNc2cc([C@@H](C)n3ncc4ccccc4c3=O)nc(C)n2)cc1C ZINC000072373338 556946305 /nfs/dbraw/zinc/94/63/05/556946305.db2.gz KMEXUZVNSMZKEB-GOSISDBHSA-N 0 0 429.524 4.212 40 0 IIABRN Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(NCc2ccccc2OC(C)C)n1 ZINC000072373340 556946328 /nfs/dbraw/zinc/94/63/28/556946328.db2.gz DPERSUKZWGUSMK-UHFFFAOYSA-N 0 0 429.524 4.251 40 0 IIABRN COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)c3ccccn3)nc21 ZINC000072373826 556947096 /nfs/dbraw/zinc/94/70/96/556947096.db2.gz RYBWNSHTZRMUAV-QFIPXVFZSA-N 0 0 443.551 4.119 40 0 IIABRN COc1cc(OC)cc(-c2nnc(SCc3nnc(-c4ccccc4OC)o3)o2)c1 ZINC000019929021 556947182 /nfs/dbraw/zinc/94/71/82/556947182.db2.gz HSTJPIUDVQAZHN-UHFFFAOYSA-N 0 0 426.454 4.105 40 0 IIABRN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)o2)c1 ZINC000019929251 556947385 /nfs/dbraw/zinc/94/73/85/556947385.db2.gz TZZUMQMOZIEZSY-UHFFFAOYSA-N 0 0 447.314 4.188 40 0 IIABRN CCOc1cc(Br)c(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OCC ZINC000409084510 556948434 /nfs/dbraw/zinc/94/84/34/556948434.db2.gz MENOYAJLBVXCAK-YBEGLDIGSA-N 0 0 437.334 4.472 40 0 IIABRN Cc1ccc(CN(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409078733 556948944 /nfs/dbraw/zinc/94/89/44/556948944.db2.gz HZKPHNDJQDZGDC-UHFFFAOYSA-N 0 0 444.503 4.411 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1)c1ccccc1 ZINC000019932266 556948932 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FODCZFGIBRTHSS-MRXNPFEDSA-N 0 0 437.367 4.461 40 0 IIABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2CC(=O)Nc2ccc(F)cc2)c1 ZINC000072376855 557389002 /nfs/dbraw/zinc/38/90/02/557389002.db2.gz WMLPHZLSSNYFRR-NRFANRHFSA-N 0 0 435.503 4.039 40 0 IIABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)C(C)C)cc1OC ZINC000222835593 557391891 /nfs/dbraw/zinc/39/18/91/557391891.db2.gz WIEOUAUWVVHRAR-QGZVFWFLSA-N 0 0 446.975 4.089 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1ccc(Cl)cc1Cl ZINC000222846895 557393342 /nfs/dbraw/zinc/39/33/42/557393342.db2.gz UXCQAGQIEPVETI-UHFFFAOYSA-N 0 0 437.348 4.229 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000222847081 557393473 /nfs/dbraw/zinc/39/34/73/557393473.db2.gz LTQLGMVMVJCOMF-QFIPXVFZSA-N 0 0 426.557 4.023 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000222847146 557393495 /nfs/dbraw/zinc/39/34/95/557393495.db2.gz LTQLGMVMVJCOMF-JOCHJYFZSA-N 0 0 426.557 4.023 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1c(F)cccc1Cl ZINC000222848956 557393704 /nfs/dbraw/zinc/39/37/04/557393704.db2.gz XHHCAFGXZQVFAB-OAQYLSRUSA-N 0 0 434.939 4.362 40 0 IIABRN CCc1ccc(N(CCCC(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 ZINC000222850167 557393935 /nfs/dbraw/zinc/39/39/35/557393935.db2.gz QMIURVLYUABLEA-UHFFFAOYSA-N 0 0 430.614 4.236 40 0 IIABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222852877 557394399 /nfs/dbraw/zinc/39/43/99/557394399.db2.gz PVVCBIJJWXSYDG-IBGZPJMESA-N 0 0 446.975 4.067 40 0 IIABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222852810 557394447 /nfs/dbraw/zinc/39/44/47/557394447.db2.gz PVVCBIJJWXSYDG-LJQANCHMSA-N 0 0 446.975 4.067 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 ZINC000222868223 557396174 /nfs/dbraw/zinc/39/61/74/557396174.db2.gz SKQNRDIXMZENAM-SANMLTNESA-N 0 0 444.575 4.322 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000222882486 557397716 /nfs/dbraw/zinc/39/77/16/557397716.db2.gz MMSNJNZKUUNJPW-HSZRJFAPSA-N 0 0 426.557 4.023 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000222884728 557398007 /nfs/dbraw/zinc/39/80/07/557398007.db2.gz ZIOIBFQEJGNURT-FQEVSTJZSA-N 0 0 432.948 4.059 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1F ZINC000222895360 557399941 /nfs/dbraw/zinc/39/99/41/557399941.db2.gz WCLKQMGJUAJIOG-JOCHJYFZSA-N 0 0 446.588 4.400 40 0 IIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C ZINC000222896838 557400117 /nfs/dbraw/zinc/40/01/17/557400117.db2.gz URRGXBWIEJSTRD-QFIPXVFZSA-N 0 0 426.557 4.023 40 0 IIABRN COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC ZINC000013995257 557401458 /nfs/dbraw/zinc/40/14/58/557401458.db2.gz BAHRPMBXLFOWIT-QKKBWIMNSA-N 0 0 439.537 4.370 40 0 IIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 ZINC000222930705 557404517 /nfs/dbraw/zinc/40/45/17/557404517.db2.gz NKOSDCAGCUKDQU-OALUTQOASA-N 0 0 428.598 4.214 40 0 IIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc(F)cc1 ZINC000222937549 557405600 /nfs/dbraw/zinc/40/56/00/557405600.db2.gz UGROWAZKSOBXLA-JOCHJYFZSA-N 0 0 430.589 4.433 40 0 IIABRN O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000033543464 557410269 /nfs/dbraw/zinc/41/02/69/557410269.db2.gz MPLKNCNMIMMSAN-IZILLXMLSA-N 0 0 425.485 4.011 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000222985810 557411854 /nfs/dbraw/zinc/41/18/54/557411854.db2.gz MPWVMHRIDZPGIY-OAHLLOKOSA-N 0 0 435.387 4.095 40 0 IIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222999433 557413945 /nfs/dbraw/zinc/41/39/45/557413945.db2.gz QUAGLXKILKSGIQ-PMACEKPBSA-N 0 0 430.936 4.284 40 0 IIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000223003801 557414461 /nfs/dbraw/zinc/41/44/61/557414461.db2.gz GASLYQPLUNTPGM-FQEVSTJZSA-N 0 0 439.512 4.187 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223036276 557419108 /nfs/dbraw/zinc/41/91/08/557419108.db2.gz YAOCQAOSOYLWLI-JOCHJYFZSA-N 0 0 428.598 4.216 40 0 IIABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223037113 557419232 /nfs/dbraw/zinc/41/92/32/557419232.db2.gz QRPJWIDEBZDMMY-OAQYLSRUSA-N 0 0 434.989 4.252 40 0 IIABRN CC(C)(C)c1ccc(OCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1 ZINC000014135983 557423026 /nfs/dbraw/zinc/42/30/26/557423026.db2.gz DXKZUFZSKOCPKE-UHFFFAOYSA-N 0 0 434.536 4.059 40 0 IIABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)cc1 ZINC000223066477 557424808 /nfs/dbraw/zinc/42/48/08/557424808.db2.gz WCIIFGMLLIDAIJ-GOTSBHOMSA-N 0 0 436.581 4.280 40 0 IIABRN COc1ccc([C@@H]2N=C(NC(=O)c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 ZINC000014165355 557425301 /nfs/dbraw/zinc/42/53/01/557425301.db2.gz WLDILGPFIHHKQJ-HXUWFJFHSA-N 0 0 431.883 4.457 40 0 IIABRN COc1ccc(CCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000014154557 557426213 /nfs/dbraw/zinc/42/62/13/557426213.db2.gz IDKJWRLUBHFWMI-XMMPIXPASA-N 0 0 436.533 4.035 40 0 IIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(OC)cc1 ZINC000223089765 557429638 /nfs/dbraw/zinc/42/96/38/557429638.db2.gz INTHUYSXKQRDBG-MSOLQXFVSA-N 0 0 446.588 4.400 40 0 IIABRN CC[C@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223122877 557434878 /nfs/dbraw/zinc/43/48/78/557434878.db2.gz IEBLTUVDKWVOCF-NRFANRHFSA-N 0 0 434.989 4.496 40 0 IIABRN COc1ccc(-c2ncc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(C)n2)cc1 ZINC000223144930 557438816 /nfs/dbraw/zinc/43/88/16/557438816.db2.gz XNSGXCZARINNAC-UHFFFAOYSA-N 0 0 436.943 4.385 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000223178491 557442032 /nfs/dbraw/zinc/44/20/32/557442032.db2.gz ISTXIPVFJSDXPG-VWLOTQADSA-N 0 0 432.539 4.453 40 0 IIABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000014401366 557443056 /nfs/dbraw/zinc/44/30/56/557443056.db2.gz VEECOHQFCGTMGQ-KRWDZBQOSA-N 0 0 440.521 4.210 40 0 IIABRN COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O ZINC000223192161 557443933 /nfs/dbraw/zinc/44/39/33/557443933.db2.gz IQEZWXFODCVPHO-DEOSSOPVSA-N 0 0 434.511 4.111 40 0 IIABRN CCN(CC)C(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414609 557445685 /nfs/dbraw/zinc/44/56/85/557445685.db2.gz YGLZQXMLRXAFJS-UHFFFAOYSA-N 0 0 437.005 4.325 40 0 IIABRN COc1ccc(C)cc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000014400703 557446176 /nfs/dbraw/zinc/44/61/76/557446176.db2.gz NMZGUWYBADCWNI-UHFFFAOYSA-N 0 0 445.368 4.495 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000014426079 557446722 /nfs/dbraw/zinc/44/67/22/557446722.db2.gz KFADORPBNWLSQO-UHFFFAOYSA-N 0 0 427.353 4.341 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223216292 557447175 /nfs/dbraw/zinc/44/71/75/557447175.db2.gz PQCWATASRWFUMZ-SANMLTNESA-N 0 0 444.575 4.322 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000223222149 557447494 /nfs/dbraw/zinc/44/74/94/557447494.db2.gz MPAUXMGUEVYGSP-SANMLTNESA-N 0 0 444.575 4.458 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC ZINC000223224884 557448199 /nfs/dbraw/zinc/44/81/99/557448199.db2.gz KTKIFMNQSPMFDP-HXUWFJFHSA-N 0 0 426.557 4.105 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000223225099 557448260 /nfs/dbraw/zinc/44/82/60/557448260.db2.gz DVDRRPYHHUUZKI-RUZDIDTESA-N 0 0 430.548 4.150 40 0 IIABRN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc2c(c1)OCO2 ZINC000014671808 557449042 /nfs/dbraw/zinc/44/90/42/557449042.db2.gz RNTCATYEHNAUJP-LFPIHBKWSA-N 0 0 436.533 4.289 40 0 IIABRN C[C@H](Oc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1)C(=O)NC1CCCCC1 ZINC000223255380 557451550 /nfs/dbraw/zinc/45/15/50/557451550.db2.gz QYSJJLQLYAXJTN-ROUUACIJSA-N 0 0 442.581 4.043 40 0 IIABRN Cc1cc(I)ccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000014737506 557452476 /nfs/dbraw/zinc/45/24/76/557452476.db2.gz BQFWIPKXDOSEKH-UHFFFAOYSA-N 0 0 442.256 4.352 40 0 IIABRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000223264399 557452604 /nfs/dbraw/zinc/45/26/04/557452604.db2.gz CZWSHPABKMSNRH-UHFFFAOYSA-N 0 0 430.888 4.483 40 0 IIABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2N1C(=O)c1ccccc1 ZINC000223267526 557453405 /nfs/dbraw/zinc/45/34/05/557453405.db2.gz OELLGWKPJXATGS-CQSZACIVSA-N 0 0 428.460 4.357 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000223298523 557456732 /nfs/dbraw/zinc/45/67/32/557456732.db2.gz WREZNSIPOVHPEM-SFHVURJKSA-N 0 0 438.549 4.152 40 0 IIABRN CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000223307304 557457526 /nfs/dbraw/zinc/45/75/26/557457526.db2.gz PGUPHUWBYRKYJD-UHFFFAOYSA-N 0 0 442.562 4.106 40 0 IIABRN CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223310461 557457747 /nfs/dbraw/zinc/45/77/47/557457747.db2.gz BGQLLEHTJRKAAF-HXUWFJFHSA-N 0 0 437.005 4.331 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223374637 557464316 /nfs/dbraw/zinc/46/43/16/557464316.db2.gz LSCBJUOZOHBJQL-FQEVSTJZSA-N 0 0 434.989 4.135 40 0 IIABRN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000223376404 557464574 /nfs/dbraw/zinc/46/45/74/557464574.db2.gz MSYAPJJOPJYNRR-UHFFFAOYSA-N 0 0 436.533 4.397 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1Cc1ccccc1 ZINC000223377193 557464813 /nfs/dbraw/zinc/46/48/13/557464813.db2.gz PLWNFUNESPECHH-BJKOFHAPSA-N 0 0 425.561 4.499 40 0 IIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1Cc1ccccc1 ZINC000223377247 557464832 /nfs/dbraw/zinc/46/48/32/557464832.db2.gz PLWNFUNESPECHH-DNQXCXABSA-N 0 0 425.561 4.499 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223382089 557465341 /nfs/dbraw/zinc/46/53/41/557465341.db2.gz VVZGRFNHPUKDBS-LJQANCHMSA-N 0 0 446.613 4.074 40 0 IIABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000223384431 557465592 /nfs/dbraw/zinc/46/55/92/557465592.db2.gz ZMIVWWNKSGCWQG-UHFFFAOYSA-N 0 0 444.862 4.459 40 0 IIABRN C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1 ZINC000223394287 557466298 /nfs/dbraw/zinc/46/62/98/557466298.db2.gz MGTJPMPXNSJDCO-GOSISDBHSA-N 0 0 440.590 4.481 40 0 IIABRN CN(c1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NC2CCCCCC2)cc1 ZINC000223397418 557466626 /nfs/dbraw/zinc/46/66/26/557466626.db2.gz SMERQKHKQXBLCB-UHFFFAOYSA-N 0 0 432.611 4.443 40 0 IIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 ZINC000223409789 557468370 /nfs/dbraw/zinc/46/83/70/557468370.db2.gz CPPQDXXBMSMHKV-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 ZINC000223409683 557468378 /nfs/dbraw/zinc/46/83/78/557468378.db2.gz CPPQDXXBMSMHKV-ZEQRLZLVSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(C)c1 ZINC000015987544 557468662 /nfs/dbraw/zinc/46/86/62/557468662.db2.gz OIXMUOYWISUWBT-UHFFFAOYSA-N 0 0 428.492 4.474 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1F ZINC000223412401 557468713 /nfs/dbraw/zinc/46/87/13/557468713.db2.gz SSKZHSXDLRDNEQ-UHFFFAOYSA-N 0 0 428.485 4.018 40 0 IIABRN COC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223425814 557471099 /nfs/dbraw/zinc/47/10/99/557471099.db2.gz KOCGJXGYKJZZGP-AWEZNQCLSA-N 0 0 440.949 4.153 40 0 IIABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc(Br)c3)sc2c1 ZINC000016321498 557472331 /nfs/dbraw/zinc/47/23/31/557472331.db2.gz KKUHLUMBAOOLFM-UHFFFAOYSA-N 0 0 449.355 4.144 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223439535 557472348 /nfs/dbraw/zinc/47/23/48/557472348.db2.gz USIXTODAOXJXDA-LJQANCHMSA-N 0 0 444.597 4.286 40 0 IIABRN C[C@@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223457455 557474421 /nfs/dbraw/zinc/47/44/21/557474421.db2.gz WKLYTGKZEOSZEL-KRWDZBQOSA-N 0 0 426.582 4.020 40 0 IIABRN COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223460451 557474620 /nfs/dbraw/zinc/47/46/20/557474620.db2.gz IJXGQSDQHCUPJI-RGEXLXHISA-N 0 0 438.505 4.184 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223470396 557475547 /nfs/dbraw/zinc/47/55/47/557475547.db2.gz MLTZWQSGKLKSKL-LJQANCHMSA-N 0 0 428.598 4.429 40 0 IIABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223471361 557475817 /nfs/dbraw/zinc/47/58/17/557475817.db2.gz CVWLKDVPCBLRTH-BJKOFHAPSA-N 0 0 441.560 4.449 40 0 IIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1cccnc1 ZINC000223473213 557476069 /nfs/dbraw/zinc/47/60/69/557476069.db2.gz DSQDPSRWJXYUMI-FCHUYYIVSA-N 0 0 446.967 4.488 40 0 IIABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000223478489 557476799 /nfs/dbraw/zinc/47/67/99/557476799.db2.gz AUHKIWOIRKFBFM-UHFFFAOYSA-N 0 0 446.931 4.033 40 0 IIABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccccc3)c2C(N)=O)C1 ZINC000017096656 557477124 /nfs/dbraw/zinc/47/71/24/557477124.db2.gz ILQUKQUIZXGIEW-AWEZNQCLSA-N 0 0 429.611 4.054 40 0 IIABRN CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000223482082 557477450 /nfs/dbraw/zinc/47/74/50/557477450.db2.gz LWJDGPAHVMEULV-CVDCTZTESA-N 0 0 446.613 4.433 40 0 IIABRN COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223489812 557478806 /nfs/dbraw/zinc/47/88/06/557478806.db2.gz UJSDFIVRYALQCM-AREMUKBSSA-N 0 0 448.538 4.291 40 0 IIABRN Cc1cc(C)cc(N(CCCC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 ZINC000223489885 557478818 /nfs/dbraw/zinc/47/88/18/557478818.db2.gz JEKYLUHMQUOSFJ-UHFFFAOYSA-N 0 0 444.582 4.007 40 0 IIABRN COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223494420 557479228 /nfs/dbraw/zinc/47/92/28/557479228.db2.gz FOZDWPXFVWXGQD-AREMUKBSSA-N 0 0 448.538 4.291 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000223499135 557479701 /nfs/dbraw/zinc/47/97/01/557479701.db2.gz FPGGMDYRZGDXFA-DEOSSOPVSA-N 0 0 436.502 4.284 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)ccc1C ZINC000223504013 557479980 /nfs/dbraw/zinc/47/99/80/557479980.db2.gz BWKUHMYQZUSLKD-FQEVSTJZSA-N 0 0 426.557 4.024 40 0 IIABRN COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 ZINC000223508207 557480491 /nfs/dbraw/zinc/48/04/91/557480491.db2.gz VTGQKOYAVMANOX-ZEQRLZLVSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccn1 ZINC000223527904 557482347 /nfs/dbraw/zinc/48/23/47/557482347.db2.gz LKMLLQPDLFWAIR-RPWUZVMVSA-N 0 0 441.560 4.449 40 0 IIABRN COc1ccccc1C(=O)NC(=S)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000017099517 557483353 /nfs/dbraw/zinc/48/33/53/557483353.db2.gz AGDVIFXAOYUDTN-UHFFFAOYSA-N 0 0 435.484 4.003 40 0 IIABRN Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223548426 557484491 /nfs/dbraw/zinc/48/44/91/557484491.db2.gz XAYWFSRKERKZGP-GOTSBHOMSA-N 0 0 427.533 4.146 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1 ZINC000223556849 557485435 /nfs/dbraw/zinc/48/54/35/557485435.db2.gz QNCXTJBFJAYOAF-DEOSSOPVSA-N 0 0 440.584 4.352 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223569439 557487387 /nfs/dbraw/zinc/48/73/87/557487387.db2.gz OFHKULYXVRHKHS-QWHCGFSZSA-N 0 0 445.368 4.034 40 0 IIABRN CCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)c1 ZINC000017096007 557487679 /nfs/dbraw/zinc/48/76/79/557487679.db2.gz AHCKVDIQKDXXLV-UHFFFAOYSA-N 0 0 428.539 4.170 40 0 IIABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1Cl ZINC000223587646 557489333 /nfs/dbraw/zinc/48/93/33/557489333.db2.gz XHFOZDCZFRWIFQ-UHFFFAOYSA-N 0 0 435.933 4.175 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223599432 557490413 /nfs/dbraw/zinc/49/04/13/557490413.db2.gz WEJABERITQSCRA-QFIPXVFZSA-N 0 0 440.584 4.360 40 0 IIABRN O=C(c1ccc(Br)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000017888955 557495123 /nfs/dbraw/zinc/49/51/23/557495123.db2.gz AFRKXFPBSFJILQ-UHFFFAOYSA-N 0 0 426.314 4.271 40 0 IIABRN Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc4C3)c(=O)[nH]c12 ZINC000019236428 557498398 /nfs/dbraw/zinc/49/83/98/557498398.db2.gz FHVXXGFYUHAFHM-DEOSSOPVSA-N 0 0 440.551 4.086 40 0 IIABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223701541 557503840 /nfs/dbraw/zinc/50/38/40/557503840.db2.gz HVHAPFHQFXLISL-LEWJYISDSA-N 0 0 425.485 4.016 40 0 IIABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223700949 557503866 /nfs/dbraw/zinc/50/38/66/557503866.db2.gz FVMLLNONNYQXOQ-NHCUHLMSSA-N 0 0 439.562 4.361 40 0 IIABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000019642771 557504109 /nfs/dbraw/zinc/50/41/09/557504109.db2.gz DOKCAHGDZPVHIE-UHFFFAOYSA-N 0 0 445.304 4.485 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000223730028 557506705 /nfs/dbraw/zinc/50/67/05/557506705.db2.gz BLDMEBYQWRVXQF-FGZHOGPDSA-N 0 0 426.586 4.314 40 0 IIABRN CSc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1NC(C)=O ZINC000223738771 557507670 /nfs/dbraw/zinc/50/76/70/557507670.db2.gz VTCCPYBSZKYIEE-UHFFFAOYSA-N 0 0 436.599 4.022 40 0 IIABRN CC(C)n1c2ccc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)cc2sc1=O ZINC000223742344 557507817 /nfs/dbraw/zinc/50/78/17/557507817.db2.gz XBKWQHIKRFGUTO-UHFFFAOYSA-N 0 0 448.610 4.299 40 0 IIABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000019825714 557508758 /nfs/dbraw/zinc/50/87/58/557508758.db2.gz WHWTZVANHOBAJU-UHFFFAOYSA-N 0 0 431.521 4.128 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 ZINC000019866261 557509367 /nfs/dbraw/zinc/50/93/67/557509367.db2.gz BUCCZLWDPPSKAG-ICSRJNTNSA-N 0 0 449.016 4.376 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1Br ZINC000019855579 557509376 /nfs/dbraw/zinc/50/93/76/557509376.db2.gz RBQLSQMCCPCYLA-UHFFFAOYSA-N 0 0 433.327 4.007 40 0 IIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000223754407 557509324 /nfs/dbraw/zinc/50/93/24/557509324.db2.gz IOPUMWHPTWDQQZ-WWPVKYPJSA-N 0 0 434.565 4.248 40 0 IIABRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C ZINC000223756763 557509683 /nfs/dbraw/zinc/50/96/83/557509683.db2.gz IRJMKIALQGBYCL-GOTSBHOMSA-N 0 0 436.581 4.332 40 0 IIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)COc2ccccc2)cc1 ZINC000223770984 557511182 /nfs/dbraw/zinc/51/11/82/557511182.db2.gz AAOWWFCNNPDGHN-JVDNRXPZSA-N 0 0 436.533 4.111 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 ZINC000223778215 557512001 /nfs/dbraw/zinc/51/20/01/557512001.db2.gz RSNNQWVJFJLDML-SANMLTNESA-N 0 0 444.575 4.322 40 0 IIABRN CCOc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000020139516 557515760 /nfs/dbraw/zinc/51/57/60/557515760.db2.gz HRYILVSJHWWJIZ-DEOSSOPVSA-N 0 0 448.615 4.355 40 0 IIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223817283 557516947 /nfs/dbraw/zinc/51/69/47/557516947.db2.gz XZOCPXLEZHZKBS-NRFANRHFSA-N 0 0 442.531 4.211 40 0 IIABRN Nc1nn(CC(=O)c2cccc(C(F)(F)F)c2)c(=S)n1Nc1ccc(Cl)cc1 ZINC000036625722 557517537 /nfs/dbraw/zinc/51/75/37/557517537.db2.gz GYRNDKDWBVSNKB-UHFFFAOYSA-N 0 0 427.839 4.427 40 0 IIABRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000223846658 557520076 /nfs/dbraw/zinc/52/00/76/557520076.db2.gz CYJFATIUUNASSM-UHFFFAOYSA-N 0 0 432.851 4.459 40 0 IIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1-c1cccnc1 ZINC000223851300 557520938 /nfs/dbraw/zinc/52/09/38/557520938.db2.gz JGYALYFXXZWTKA-XZOQPEGZSA-N 0 0 427.533 4.458 40 0 IIABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223858589 557521615 /nfs/dbraw/zinc/52/16/15/557521615.db2.gz FPAPFUTVGYRWLQ-QGZVFWFLSA-N 0 0 428.960 4.367 40 0 IIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(CC)cc1 ZINC000223866749 557522556 /nfs/dbraw/zinc/52/25/56/557522556.db2.gz UYQZOOJGXICOOR-OAHLLOKOSA-N 0 0 437.367 4.488 40 0 IIABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223871567 557523555 /nfs/dbraw/zinc/52/35/55/557523555.db2.gz PZQKWFUAPRJLAE-DHIUTWEWSA-N 0 0 427.533 4.209 40 0 IIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1C(C)(C)C ZINC000223885876 557525048 /nfs/dbraw/zinc/52/50/48/557525048.db2.gz YSGVTZDBWBEDKM-SFHVURJKSA-N 0 0 428.548 4.446 40 0 IIABRN Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000223888691 557525496 /nfs/dbraw/zinc/52/54/96/557525496.db2.gz BJCRHQCYTFRQDR-LJQANCHMSA-N 0 0 426.532 4.297 40 0 IIABRN Cc1ccccc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223911858 557527900 /nfs/dbraw/zinc/52/79/00/557527900.db2.gz DBXSFKVVGXRQNR-UHFFFAOYSA-N 0 0 432.973 4.460 40 0 IIABRN CCCC[C@@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223920675 557528934 /nfs/dbraw/zinc/52/89/34/557528934.db2.gz DQSVOSLGVMXBLO-GOSISDBHSA-N 0 0 432.586 4.467 40 0 IIABRN Cc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)ccc1N1CCCC1=O ZINC000223928272 557529973 /nfs/dbraw/zinc/52/99/73/557529973.db2.gz RNPGLHFINGRWAI-UHFFFAOYSA-N 0 0 449.532 4.175 40 0 IIABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C ZINC000223932640 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445.567 4.374 40 0 IIABRN Cc1cccc(Nc2cccc([C@H]3CN(C(=O)CCOc4ccccc4C)CCO3)n2)n1 ZINC000257222889 568675383 /nfs/dbraw/zinc/67/53/83/568675383.db2.gz DUZWIMQXJXLIGX-JOCHJYFZSA-N 0 0 432.524 4.206 40 0 IIABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccnc(Cc3ccc(F)cc3)c1)C2 ZINC000257225288 568676754 /nfs/dbraw/zinc/67/67/54/568676754.db2.gz FFPQSERVQHQIAL-CONSUNNSSA-N 0 0 435.543 4.206 40 0 IIABRN COCc1cc(CN2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)ccc1OC(C)C ZINC000257240394 568683967 /nfs/dbraw/zinc/68/39/67/568683967.db2.gz HTFTZRIKHAQFEY-HSZRJFAPSA-N 0 0 449.555 4.122 40 0 IIABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000257243767 568685587 /nfs/dbraw/zinc/68/55/87/568685587.db2.gz IIMDUSZSMNTWHU-VWLOTQADSA-N 0 0 438.543 4.201 40 0 IIABRN COc1cccc(C)c1NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257244708 568685788 /nfs/dbraw/zinc/68/57/88/568685788.db2.gz IMLBJSPFXJEMLB-UHFFFAOYSA-N 0 0 431.540 4.355 40 0 IIABRN 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/nfs/dbraw/zinc/69/73/24/568697324.db2.gz MPKJWTJAIRCXPW-GKPVTSGTSA-N 0 0 446.547 4.424 40 0 IIABRN COCc1ccc(C(=O)N2CCO[C@H](c3cc(Nc4ncc(C)s4)cc(C)n3)C2)cc1 ZINC000257272660 568698796 /nfs/dbraw/zinc/69/87/96/568698796.db2.gz NDIUUJAURFVZBU-NRFANRHFSA-N 0 0 438.553 4.259 40 0 IIABRN CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257274413 568699649 /nfs/dbraw/zinc/69/96/49/568699649.db2.gz NKZRDAFWDMYZBZ-HXUWFJFHSA-N 0 0 447.539 4.187 40 0 IIABRN CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C3(c4cc(C)cc(C)c4)CCOCC3)C2)n1 ZINC000257276633 568700623 /nfs/dbraw/zinc/70/06/23/568700623.db2.gz NUODOWQVLVGION-RUZDIDTESA-N 0 0 436.600 4.072 40 0 IIABRN Cc1ccccc1CN1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257277267 568700762 /nfs/dbraw/zinc/70/07/62/568700762.db2.gz NXDPAZLFFHSDJZ-XMMPIXPASA-N 0 0 427.495 4.202 40 0 IIABRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257286991 568705295 /nfs/dbraw/zinc/70/52/95/568705295.db2.gz 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Cc1nc([C@@]2(O)CCCN(C(=O)CC(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000257299856 568711188 /nfs/dbraw/zinc/71/11/88/568711188.db2.gz RRYFNHAWHHLGMK-HSZRJFAPSA-N 0 0 434.577 4.458 40 0 IIABRN CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)COc4ccccc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257300946 568711688 /nfs/dbraw/zinc/71/16/88/568711688.db2.gz RWIKHAADFIIDJG-GAYSTUHSSA-N 0 0 432.564 4.067 40 0 IIABRN COc1ccc(C(=O)N2C[C@@H]3[C@@H](Cc4ccccn4)CC[C@@H]3C2)cc1NCc1cccnc1 ZINC000257303668 568712973 /nfs/dbraw/zinc/71/29/73/568712973.db2.gz SIECPSBBQNQLIL-KIFXHHALSA-N 0 0 442.563 4.438 40 0 IIABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 ZINC000257304182 568713088 /nfs/dbraw/zinc/71/30/88/568713088.db2.gz SKKCSPPBMOLFCO-QFIPXVFZSA-N 0 0 436.943 4.060 40 0 IIABRN Cc1nc2cc([C@H]3CCCCN3C(=O)C3CCC3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257304427 568713191 /nfs/dbraw/zinc/71/31/91/568713191.db2.gz SLPPUCJQAFSMID-OAQYLSRUSA-N 0 0 439.604 4.047 40 0 IIABRN CC1(C(=O)N[C@@H]2CC[C@@]3(CCO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)CCCCC1 ZINC000257306143 568714135 /nfs/dbraw/zinc/71/41/35/568714135.db2.gz STCLAQBWIFZQAM-DRQOZCJDSA-N 0 0 429.601 4.070 40 0 IIABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257306571 568714204 /nfs/dbraw/zinc/71/42/04/568714204.db2.gz SUVUAWDFMPMBSF-UHFFFAOYSA-N 0 0 438.553 4.106 40 0 IIABRN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC[C@H]1c1nnc(-c2ccccn2)o1 ZINC000257308470 568714971 /nfs/dbraw/zinc/71/49/71/568714971.db2.gz TWVMSYWFZHDFRR-INIZCTEOSA-N 0 0 438.431 4.066 40 0 IIABRN CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000257309156 568715222 /nfs/dbraw/zinc/71/52/22/568715222.db2.gz TZUMFQYIYRNQKN-JOCHJYFZSA-N 0 0 426.524 4.052 40 0 IIABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257309998 568715466 /nfs/dbraw/zinc/71/54/66/568715466.db2.gz UDGWISKICQVCES-QFIPXVFZSA-N 0 0 429.455 4.234 40 0 IIABRN C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)c3cccnc3N)[C@H]1CCCCC(=O)N2 ZINC000257311925 568716312 /nfs/dbraw/zinc/71/63/12/568716312.db2.gz ULQFELNCOMFSME-SPEDKVCISA-N 0 0 446.473 4.087 40 0 IIABRN COc1ccccc1[C@H]1CN(C(=O)c2cccc(OCc3c(C)noc3C)c2)CCN1C ZINC000257312787 568716789 /nfs/dbraw/zinc/71/67/89/568716789.db2.gz UPMDPTBAXOHOGQ-HSZRJFAPSA-N 0 0 435.524 4.008 40 0 IIABRN CC(=O)N1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)[C@H](c2ccccc2)C1 ZINC000257313457 568717065 /nfs/dbraw/zinc/71/70/65/568717065.db2.gz USNCXVFGKUAWGP-VWLOTQADSA-N 0 0 432.495 4.450 40 0 IIABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccnc(Cc3ccccc3F)c1)C2 ZINC000257314985 568717690 /nfs/dbraw/zinc/71/76/90/568717690.db2.gz UZKQKDCYJLFOIH-GEMTWJNPSA-N 0 0 435.543 4.206 40 0 IIABRN O=C(N1CCC2(CO[C@@H](Cc3ccccn3)C2)CC1)C1(Cc2ccccc2)CCOCC1 ZINC000257316384 568718363 /nfs/dbraw/zinc/71/83/63/568718363.db2.gz VFJPQQMAHJKJJM-DEOSSOPVSA-N 0 0 434.580 4.061 40 0 IIABRN Cc1cc(Nc2cccc(CC3CCN(C(=O)c4nccc5ccccc54)CC3)n2)n[nH]1 ZINC000257316938 568718599 /nfs/dbraw/zinc/71/85/99/568718599.db2.gz VHQQPLBSXKEGON-UHFFFAOYSA-N 0 0 426.524 4.500 40 0 IIABRN Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccc(-n5cccn5)nc4)C3)n2)c1 ZINC000257317463 568718870 /nfs/dbraw/zinc/71/88/70/568718870.db2.gz VJVDLVRPBUZKEJ-HXUWFJFHSA-N 0 0 440.507 4.178 40 0 IIABRN CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccncc2)CC1 ZINC000257318172 568719241 /nfs/dbraw/zinc/71/92/41/568719241.db2.gz VMTSQDNENREKFX-UHFFFAOYSA-N 0 0 433.577 4.411 40 0 IIABRN CCn1cc(-c2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)on2)cn1 ZINC000257320654 568720234 /nfs/dbraw/zinc/72/02/34/568720234.db2.gz VXTRHMPHCQCARF-KRWDZBQOSA-N 0 0 449.486 4.296 40 0 IIABRN Cc1ccc([C@@H]2[C@H](C(=O)[O-])CCN2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000257321110 568720511 /nfs/dbraw/zinc/72/05/11/568720511.db2.gz WACSOSHAJGYKDT-DNQXCXABSA-N 0 0 436.552 4.148 40 0 IIABRN Cc1csc(Nc2cc(C)nc([C@H]3CCCN(CC(=O)Nc4cc(C)on4)C3)c2)n1 ZINC000257323042 568721361 /nfs/dbraw/zinc/72/13/61/568721361.db2.gz WINJVJKPQNJUAO-INIZCTEOSA-N 0 0 426.546 4.013 40 0 IIABRN COc1c(C)cccc1C(=O)N1CCO[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000257329308 568723895 /nfs/dbraw/zinc/72/38/95/568723895.db2.gz XJHQFZHJQWFFBI-QFIPXVFZSA-N 0 0 447.539 4.071 40 0 IIABRN Cc1cc(Nc2cccc([C@@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)nn1C ZINC000257328803 568723942 /nfs/dbraw/zinc/72/39/42/568723942.db2.gz XHEJEWGAEJGRKY-FQEVSTJZSA-N 0 0 439.947 4.053 40 0 IIABRN Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)c3ccnc(Oc4ccccc4F)c3)C2)n1 ZINC000257330688 568724725 /nfs/dbraw/zinc/72/47/25/568724725.db2.gz XPMQWPYIWJPMTQ-VWLOTQADSA-N 0 0 449.530 4.371 40 0 IIABRN COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)Cc4cccnc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257342020 568729422 /nfs/dbraw/zinc/72/94/22/568729422.db2.gz ZMTARULFWVAGTK-XUZZJYLKSA-N 0 0 436.552 4.190 40 0 IIABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc(OC)c(O)c1 ZINC000261363231 568733260 /nfs/dbraw/zinc/73/32/60/568733260.db2.gz QCSLNVCNIKSOII-FQEVSTJZSA-O 0 0 425.534 4.106 40 0 IIABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1cccc2ccccc21 ZINC000261364859 568733514 /nfs/dbraw/zinc/73/35/14/568733514.db2.gz OFNFRXSYVZKYRJ-HSZRJFAPSA-O 0 0 429.525 4.315 40 0 IIABRN COc1cccc(NC(=O)CSC2=N/C(=C/c3cccnc3)C(=O)N2c2ccccc2)c1 ZINC000261527008 568735386 /nfs/dbraw/zinc/73/53/86/568735386.db2.gz VAZGFRRPYTYOKR-FYJGNVAPSA-N 0 0 444.516 4.206 40 0 IIABRN c1ccc(CN2[C@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]3O[C@@H](c4ccccc4)OC[C@@H]32)cc1 ZINC000044962932 568755193 /nfs/dbraw/zinc/75/51/93/568755193.db2.gz FUFUWIXEZSOGPO-NVWBJHIXSA-N 0 0 429.516 4.468 40 0 in-vitro IIABRN O=C(c1ccncc1)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccccc3)C(=O)C[C@H]12 ZINC000306125283 568763740 /nfs/dbraw/zinc/76/37/40/568763740.db2.gz CLGVGVLZGMZKOF-RPLLCQBOSA-N 0 0 425.532 4.057 40 0 IIABRN Cc1ccccc1CC(=O)N1CCC(c2nnc3ccc(-c4ccccc4F)nn32)CC1 ZINC000306129979 568766120 /nfs/dbraw/zinc/76/61/20/568766120.db2.gz ITBLDXCZUYYAGI-UHFFFAOYSA-N 0 0 429.499 4.188 40 0 IIABRN O=C(NCc1ccc(F)cc1)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 ZINC000306134513 568768492 /nfs/dbraw/zinc/76/84/92/568768492.db2.gz NPQVYQMJPQLTRO-UHFFFAOYSA-N 0 0 425.467 4.315 40 0 IIABRN COc1ccc(NC(=O)c2cnn3c2CN(Cc2ccc(F)cc2)Cc2cccnc2-3)cc1 ZINC000306142199 568772808 /nfs/dbraw/zinc/77/28/08/568772808.db2.gz WSRMDSBAEDFWIS-UHFFFAOYSA-N 0 0 443.482 4.183 40 0 IIABRN CC(C)n1nccc1[C@@H]1CN(C(=O)c2ccoc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306144405 568773661 /nfs/dbraw/zinc/77/36/61/568773661.db2.gz ZEIFAEUDHBQQNK-BKMJKUGQSA-N 0 0 446.551 4.106 40 0 IIABRN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cccc(C)n5)C4)nn3c2)c1 ZINC000306144745 568773939 /nfs/dbraw/zinc/77/39/39/568773939.db2.gz ZNODEBICOXSZTN-HXUWFJFHSA-N 0 0 427.508 4.128 40 0 IIABRN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(C)c4[C@H]3c3cc(OC)ccc3OC)c2c1 ZINC000009421160 568794478 /nfs/dbraw/zinc/79/44/78/568794478.db2.gz DACQBANVUMRIRS-XMMPIXPASA-N 0 0 446.507 4.013 40 0 IIABRN CC(C)[C@@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)n1 ZINC000328961098 568807803 /nfs/dbraw/zinc/80/78/03/568807803.db2.gz BBRUXQUUIIYRFB-GOSISDBHSA-N 0 0 436.478 4.244 40 0 IIABRN CC(C)[C@@H](CO)Nc1nc(C2CC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328971300 568808084 /nfs/dbraw/zinc/80/80/84/568808084.db2.gz DQBLGSVBJWIKAK-LJQANCHMSA-N 0 0 431.378 4.108 40 0 IIABRN CCc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](C)CO)n1 ZINC000329062212 568810804 /nfs/dbraw/zinc/81/08/04/568810804.db2.gz WVWRKKUJTCIJRZ-HNNXBMFYSA-N 0 0 446.473 4.293 40 0 IIABRN CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccs1)N1c3ccc(Cl)cc3C=C[C@@H]21 ZINC000101448601 568837781 /nfs/dbraw/zinc/83/77/81/568837781.db2.gz SHYRXROEJRPOQG-KANFNMMFSA-N 0 0 440.952 4.268 40 0 IIABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2 ZINC000101498661 568844496 /nfs/dbraw/zinc/84/44/96/568844496.db2.gz AZRSUKPQWZSIBP-VKDGWMQASA-N 0 0 432.630 4.199 40 0 IIABRN Cc1ccc2cc(CN(C3CCCC3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1C ZINC000000914356 568897992 /nfs/dbraw/zinc/89/79/92/568897992.db2.gz BPOKCZVPZHHMGR-UHFFFAOYSA-N 0 0 428.529 4.418 40 0 IIABRN CCc1ccc(NC(=O)Cn2nc(-c3ccccc3OC)n(-n3cccc3)c2=S)cc1 ZINC000016807170 569162286 /nfs/dbraw/zinc/16/22/86/569162286.db2.gz FNAUAHULBZAOFO-UHFFFAOYSA-N 0 0 433.537 4.404 40 0 IIABRN Cc1cc(NC(=S)NC(=O)COc2ccc(Cl)cc2)cc(Br)c1O ZINC000226244249 569178010 /nfs/dbraw/zinc/17/80/10/569178010.db2.gz KYYAVWOFKRKTQK-UHFFFAOYSA-N 0 0 429.723 4.009 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000248131888 569207075 /nfs/dbraw/zinc/20/70/75/569207075.db2.gz YXMLHJAZSWYSLJ-CQSZACIVSA-N 0 0 427.353 4.341 40 0 IIABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500515 569208628 /nfs/dbraw/zinc/20/86/28/569208628.db2.gz SRZFVTQQAKCMTI-CTNGQTDRSA-N 0 0 438.576 4.123 40 0 IIABRN COc1ccc(CCCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1C ZINC000006471531 569218589 /nfs/dbraw/zinc/21/85/89/569218589.db2.gz FNKGQTIMVDHGBY-APWZRJJASA-N 0 0 430.618 4.094 40 0 IIABRN COc1ccc(/C=C/C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(OC)c1OC ZINC000009973436 569220294 /nfs/dbraw/zinc/22/02/94/569220294.db2.gz PTACMCLJXVAHJC-JXMROGBWSA-N 0 0 430.932 4.036 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C(C)C)C2)cc1C ZINC000009973772 569220397 /nfs/dbraw/zinc/22/03/97/569220397.db2.gz ZGCNCKBRQBJYHG-IBGZPJMESA-N 0 0 444.597 4.475 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)cc1C ZINC000009973822 569220413 /nfs/dbraw/zinc/22/04/13/569220413.db2.gz IUCSRVYQVKAOFB-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000010128265 569221473 /nfs/dbraw/zinc/22/14/73/569221473.db2.gz PWPWQPBGROOFON-HSZRJFAPSA-N 0 0 436.577 4.394 40 0 IIABRN Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c12 ZINC000012566840 569225056 /nfs/dbraw/zinc/22/50/56/569225056.db2.gz XRLDZUJENGWWER-OSPHWJPCSA-N 0 0 440.551 4.479 40 0 IIABRN C#CCOc1c(Cl)cc(C=C2SC(Nc3ccc(OC)cc3)=NC2=O)cc1OC ZINC000016440340 569225812 /nfs/dbraw/zinc/22/58/12/569225812.db2.gz VITIESKNYUTISH-LDADJPATSA-N 0 0 428.897 4.452 40 0 IIABRN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Cl ZINC000016610411 569225813 /nfs/dbraw/zinc/22/58/13/569225813.db2.gz ISXGFKZTGGSKDC-VUFYJBQKSA-N 0 0 441.915 4.357 40 0 IIABRN O=C(c1cccnc1)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019687754 569227499 /nfs/dbraw/zinc/22/74/99/569227499.db2.gz WNYXBSCQZXYAQW-OAQYLSRUSA-N 0 0 427.426 4.300 40 0 IIABRN Cn1cc(CN2CCO[C@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)c2cc(F)ccc21 ZINC000019693641 569229045 /nfs/dbraw/zinc/22/90/45/569229045.db2.gz DLEDKWCZNOPWBA-VWLOTQADSA-N 0 0 444.510 4.052 40 0 IIABRN CC1(C)Cc2cc(CN3CCO[C@H](c4ccc(-c5cccc(C(N)=O)c5)cn4)C3)ccc2O1 ZINC000019693679 569229078 /nfs/dbraw/zinc/22/90/78/569229078.db2.gz YTANLNZNQDEQSY-VWLOTQADSA-N 0 0 443.547 4.135 40 0 IIABRN NC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000019702403 569232064 /nfs/dbraw/zinc/23/20/64/569232064.db2.gz XHQONVSVKUQEAO-OAHLLOKOSA-N 0 0 448.573 4.072 40 0 IIABRN CC(C)Oc1ccccc1CN1CCO[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019703157 569232714 /nfs/dbraw/zinc/23/27/14/569232714.db2.gz RGHWLZULBMWNBJ-HXUWFJFHSA-N 0 0 439.581 4.359 40 0 IIABRN CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CCC3(C2)CCCCC3)C1 ZINC000019703490 569233158 /nfs/dbraw/zinc/23/31/58/569233158.db2.gz NTGVRLIGKHFGAU-AREMUKBSSA-N 0 0 435.568 4.306 40 0 IIABRN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3nc4cc(F)ccc4[nH]3)c2)C1 ZINC000019712237 569235289 /nfs/dbraw/zinc/23/52/89/569235289.db2.gz BKFUKRIQVWEJSY-QIJUGHKUSA-N 0 0 438.503 4.335 40 0 IIABRN Cc1ccc(OC(C)(C)C(=O)N2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccc(F)cc2)cc1 ZINC000019713141 569235423 /nfs/dbraw/zinc/23/54/23/569235423.db2.gz LRSLQSMVJISMIV-DHIUTWEWSA-N 0 0 438.543 4.474 40 0 IIABRN CC(C)OCC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713421 569235674 /nfs/dbraw/zinc/23/56/74/569235674.db2.gz PHZBSEMJBPLZDY-DENIHFKCSA-N 0 0 440.506 4.393 40 0 IIABRN Cc1cc2cc(C(=O)N3CC[C@H](c4nc(C)c5c(n4)N(CC(C)C)C(=O)CC5)C3)ccc2o1 ZINC000019738818 569236048 /nfs/dbraw/zinc/23/60/48/569236048.db2.gz LYCMPUYDHUUNLS-IBGZPJMESA-N 0 0 446.551 4.405 40 0 IIABRN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC000019756787 569237004 /nfs/dbraw/zinc/23/70/04/569237004.db2.gz WUKLHHKHPUKTGO-HXUWFJFHSA-N 0 0 448.567 4.183 40 0 IIABRN Cc1nc(C2CCN(C(=O)CCCc3ccccn3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764258 569238394 /nfs/dbraw/zinc/23/83/94/569238394.db2.gz IFERVDICXVMELQ-UHFFFAOYSA-N 0 0 443.551 4.161 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)c2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019764862 569238629 /nfs/dbraw/zinc/23/86/29/569238629.db2.gz AFKZXZWGBPIFCH-HXUWFJFHSA-N 0 0 435.915 4.453 40 0 IIABRN CCn1c(CCCc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000033619945 569244955 /nfs/dbraw/zinc/24/49/55/569244955.db2.gz XIKQQJVDCOBOHB-UHFFFAOYSA-N 0 0 428.533 4.352 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)c1 ZINC000033654662 569245375 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Cc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1C ZINC000022231038 524600400 /nfs/dbraw/zinc/60/04/00/524600400.db2.gz PCAXUXHGEZPBCT-UHFFFAOYSA-N 0 0 438.549 4.287 40 0 IIABRN Cc1ccc(N(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C ZINC000020452765 524899516 /nfs/dbraw/zinc/89/95/16/524899516.db2.gz BVGBEJQQFYJMEZ-UHFFFAOYSA-N 0 0 440.540 4.339 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022427822 525135728 /nfs/dbraw/zinc/13/57/28/525135728.db2.gz DXICBAFEHBNHEG-LJQANCHMSA-N 0 0 438.549 4.076 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000022339775 525149692 /nfs/dbraw/zinc/14/96/92/525149692.db2.gz VCVOWJSSDZSROU-UHFFFAOYSA-N 0 0 430.957 4.008 40 0 IIABRN Cc1ccccc1N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000012636495 525213755 /nfs/dbraw/zinc/21/37/55/525213755.db2.gz YKQBYMDTDUAKJW-LJQANCHMSA-N 0 0 426.517 4.288 40 0 IIABRN Cc1ccccc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232534 525241534 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COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)ccc2C)C1 ZINC000408561883 555904779 /nfs/dbraw/zinc/90/47/79/555904779.db2.gz WMQRMYTUZXDMEU-MRXNPFEDSA-N 0 0 436.961 4.005 40 0 IIABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1OC ZINC000408562988 555906840 /nfs/dbraw/zinc/90/68/40/555906840.db2.gz HHYTZQNKGRILKB-FYWRMAATSA-N 0 0 430.504 4.328 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)o1 ZINC000035152543 555912733 /nfs/dbraw/zinc/91/27/33/555912733.db2.gz IPQYBLAFFKYVQR-NDENLUEZSA-N 0 0 447.491 4.183 40 0 IIABRN COC(=O)c1cc(NC(=O)CSCc2c(Cl)cccc2Cl)cc(C(=O)OC)c1 ZINC000408574725 555925464 /nfs/dbraw/zinc/92/54/64/555925464.db2.gz KQZLJGUCOOUHEO-UHFFFAOYSA-N 0 0 442.320 4.439 40 0 IIABRN CCN1CCN(C(=S)c2cccc(OC)c2OCc2ccc(Br)cc2)CC1 ZINC000408577192 555927585 /nfs/dbraw/zinc/92/75/85/555927585.db2.gz RUDFICLHMPCFJF-UHFFFAOYSA-N 0 0 449.414 4.350 40 0 IIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)c1 ZINC000408583636 555930582 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CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408594859 555961084 /nfs/dbraw/zinc/96/10/84/555961084.db2.gz PNQXOVLXIRBDID-CYBMUJFWSA-N 0 0 445.368 4.334 40 0 IIABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1nccs1 ZINC000408596294 555963127 /nfs/dbraw/zinc/96/31/27/555963127.db2.gz RBOQODQAPQUGKN-UHFFFAOYSA-N 0 0 425.539 4.218 40 0 IIABRN CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408596554 555963792 /nfs/dbraw/zinc/96/37/92/555963792.db2.gz WRVOBVOSOQBJSA-UHFFFAOYSA-N 0 0 444.940 4.178 40 0 IIABRN CCCCc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408596847 555964478 /nfs/dbraw/zinc/96/44/78/555964478.db2.gz SPVGWPIRCAUDEA-GOSISDBHSA-N 0 0 432.586 4.370 40 0 IIABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000408597531 555965367 /nfs/dbraw/zinc/96/53/67/555965367.db2.gz XHGSIWYGPFIACV-ZDUSSCGKSA-N 0 0 446.878 4.398 40 0 IIABRN CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc21)Cc1ccc(Br)cc1 ZINC000408605462 555966153 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Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)cc1 ZINC000408677717 556071847 /nfs/dbraw/zinc/07/18/47/556071847.db2.gz RAUMODSFMQZQMA-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408679968 556074573 /nfs/dbraw/zinc/07/45/73/556074573.db2.gz XHEXAZCSQIVBDG-SFHVURJKSA-N 0 0 444.597 4.057 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000408679796 556074620 /nfs/dbraw/zinc/07/46/20/556074620.db2.gz FIBYUMIVBHFDKR-OAQYLSRUSA-N 0 0 444.535 4.097 40 0 IIABRN CCCOC(=O)c1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 ZINC000408680247 556074899 /nfs/dbraw/zinc/07/48/99/556074899.db2.gz HKZRFUHUBLUFFS-FPOVZHCZSA-N 0 0 446.503 4.351 40 0 IIABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)cs3)C2=O)o1 ZINC000035315774 556078154 /nfs/dbraw/zinc/07/81/54/556078154.db2.gz HVTACNPVAUDQCD-LFYBBSHMSA-N 0 0 428.285 4.127 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000408693046 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556326600 /nfs/dbraw/zinc/32/66/00/556326600.db2.gz OZXFDQBBHYVCDH-JOCHJYFZSA-N 0 0 442.968 4.485 40 0 IIABRN C[C@H]1Cc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2N1S(C)(=O)=O ZINC000010324242 556330863 /nfs/dbraw/zinc/33/08/63/556330863.db2.gz MHECSQGVVAXTKV-JTQLQIEISA-N 0 0 432.851 4.322 40 0 IIABRN COc1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000010324872 556330905 /nfs/dbraw/zinc/33/09/05/556330905.db2.gz GPLGOOBMRFTFHL-UHFFFAOYSA-N 0 0 428.485 4.053 40 0 IIABRN Cc1ccc(C)c(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccccc2)c1 ZINC000010449681 556335289 /nfs/dbraw/zinc/33/52/89/556335289.db2.gz JEFDBFLMSYFNDR-HXUWFJFHSA-N 0 0 434.561 4.477 40 0 IIABRN CC(C)C(NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)C(C)C ZINC000010692534 556337581 /nfs/dbraw/zinc/33/75/81/556337581.db2.gz GUGXRVOHEVAZRH-UHFFFAOYSA-N 0 0 449.444 4.332 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000010977905 556338775 /nfs/dbraw/zinc/33/87/75/556338775.db2.gz FYZCQTFYTNYXSJ-HNNXBMFYSA-N 0 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CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(Cl)c(OCC)c(OCC)c1 ZINC000015017299 556486512 /nfs/dbraw/zinc/48/65/12/556486512.db2.gz GFQAOHPBRMIJOP-FQEVSTJZSA-N 0 0 444.915 4.466 40 0 IIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)C[C@@H](C)O5)C3)cc2n1 ZINC000013225553 556499390 /nfs/dbraw/zinc/49/93/90/556499390.db2.gz SVFFKQJOWZHIIN-GDBMZVCRSA-N 0 0 444.457 4.400 40 0 IIABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000030757894 556505160 /nfs/dbraw/zinc/50/51/60/556505160.db2.gz MXSCAICOCUBBCY-HSZRJFAPSA-N 0 0 438.549 4.401 40 0 IIABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000030861777 556511333 /nfs/dbraw/zinc/51/13/33/556511333.db2.gz ZSURFNXBSNUHEG-UHFFFAOYSA-N 0 0 446.931 4.333 40 0 IIABRN COc1cc(OC)c([C@H]2C[C@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430370 556523498 /nfs/dbraw/zinc/52/34/98/556523498.db2.gz OOROCWPUUPSFBN-BXKMTCNYSA-N 0 0 427.497 4.168 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000015433843 556527152 /nfs/dbraw/zinc/52/71/52/556527152.db2.gz KXMJLLPWPJUAOM-UHFFFAOYSA-N 0 0 440.609 4.265 40 0 IIABRN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000015438828 556527863 /nfs/dbraw/zinc/52/78/63/556527863.db2.gz YMCQWJZVSDFVNS-UHFFFAOYSA-N 0 0 446.912 4.167 40 0 IIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(C)cc2C)cc1OC ZINC000032115127 556531496 /nfs/dbraw/zinc/53/14/96/556531496.db2.gz UPIAFOJBUDQREQ-UHFFFAOYSA-N 0 0 443.569 4.333 40 0 IIABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(C)c(C)c2)cc1OC ZINC000032115074 556531601 /nfs/dbraw/zinc/53/16/01/556531601.db2.gz RKZTUJASJPFCKT-UHFFFAOYSA-N 0 0 443.569 4.333 40 0 IIABRN C[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015563957 556535070 /nfs/dbraw/zinc/53/50/70/556535070.db2.gz AHSYDXMGFBCJQB-QGZVFWFLSA-N 0 0 426.513 4.378 40 0 IIABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)nn12 ZINC000032127333 556536417 /nfs/dbraw/zinc/53/64/17/556536417.db2.gz AFOCKKMVFHITFY-UHFFFAOYSA-N 0 0 428.315 4.484 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccccc2)cc1 ZINC000013632190 556539553 /nfs/dbraw/zinc/53/95/53/556539553.db2.gz QCAUULOJGWZOAF-UHFFFAOYSA-N 0 0 436.577 4.248 40 0 IIABRN COc1cc2c(cc1OC)n(Cc1ccccc1C)c(=O)n(-c1cccc(Cl)c1)c2=O ZINC000013634550 556540524 /nfs/dbraw/zinc/54/05/24/556540524.db2.gz DYSVFZNQRCVMMH-UHFFFAOYSA-N 0 0 436.895 4.180 40 0 IIABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032639956 556544036 /nfs/dbraw/zinc/54/40/36/556544036.db2.gz XELXDQRCVCTUJA-DLBZAZTESA-N 0 0 445.368 4.408 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(=O)N1CCCC1 ZINC000013648370 556544778 /nfs/dbraw/zinc/54/47/78/556544778.db2.gz IESQCMPWSCFCTE-UHFFFAOYSA-N 0 0 444.553 4.053 40 0 IIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640433 556545156 /nfs/dbraw/zinc/54/51/56/556545156.db2.gz SFFYANZULNYHQA-PKOBYXMFSA-N 0 0 438.977 4.371 40 0 IIABRN O=S1(=O)C[C@H]2N=C(SCc3ccccc3F)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032641175 556546002 /nfs/dbraw/zinc/54/60/02/556546002.db2.gz ULBOUNUBCMQMIL-IAGOWNOFSA-N 0 0 445.368 4.408 40 0 IIABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000013668676 556549162 /nfs/dbraw/zinc/54/91/62/556549162.db2.gz FABKXOJUXVGERW-UHFFFAOYSA-N 0 0 440.540 4.155 40 0 IIABRN C[C@@H]1CCCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000013669908 556550759 /nfs/dbraw/zinc/55/07/59/556550759.db2.gz NXEROFSJHRPVFJ-OAHLLOKOSA-N 0 0 441.380 4.447 40 0 IIABRN CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013670456 556551292 /nfs/dbraw/zinc/55/12/92/556551292.db2.gz SLTPJZSQTKCVEP-UHFFFAOYSA-N 0 0 446.878 4.104 40 0 IIABRN Cc1ccc(CCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000013670287 556551360 /nfs/dbraw/zinc/55/13/60/556551360.db2.gz SLTBYLCFHFMPIW-OAHLLOKOSA-N 0 0 443.396 4.205 40 0 IIABRN Cc1ccc(CCCNC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000013674053 556553549 /nfs/dbraw/zinc/55/35/49/556553549.db2.gz RNRYEMKDAKKCKR-UHFFFAOYSA-N 0 0 437.005 4.252 40 0 IIABRN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000013677500 556555065 /nfs/dbraw/zinc/55/50/65/556555065.db2.gz VSEFFFCRYXBLLL-UHFFFAOYSA-N 0 0 428.598 4.423 40 0 IIABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000013678302 556555402 /nfs/dbraw/zinc/55/54/02/556555402.db2.gz VVCJRVFKLIETQZ-UHFFFAOYSA-N 0 0 441.380 4.482 40 0 IIABRN Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015941052 556566349 /nfs/dbraw/zinc/56/63/49/556566349.db2.gz BHKWOGITZBDMSY-UHFFFAOYSA-N 0 0 449.576 4.408 40 0 IIABRN O=C(Nc1ccccc1Br)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000016027629 556576602 /nfs/dbraw/zinc/57/66/02/556576602.db2.gz TVZNNUVPJPVWJN-UHFFFAOYSA-N 0 0 437.359 4.266 40 0 IIABRN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(N2CCOCC2)cc1 ZINC000016138889 556585235 /nfs/dbraw/zinc/58/52/35/556585235.db2.gz POKURTUHCRUQHT-SANMLTNESA-N 0 0 426.520 4.451 40 0 IIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(CC)cccc2CC)cc1C ZINC000016162303 556586570 /nfs/dbraw/zinc/58/65/70/556586570.db2.gz FKSTXNBQTJHOOC-UHFFFAOYSA-N 0 0 432.586 4.168 40 0 IIABRN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000100782492 556589593 /nfs/dbraw/zinc/58/95/93/556589593.db2.gz RNYKEFUCTFADGF-SQNIBIBYSA-N 0 0 436.726 4.182 40 0 IIABRN COc1cccc(NC(=O)NC[C@@H]2CCC[C@H](CNC(=O)Nc3cccc(OC)c3)C2)c1 ZINC000016228072 556593238 /nfs/dbraw/zinc/59/32/38/556593238.db2.gz UTDWVQOGGKKSHX-HDICACEKSA-N 0 0 440.544 4.453 40 0 IIABRN COc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccc(C)cc2)c(OC)c1 ZINC000036293438 556596241 /nfs/dbraw/zinc/59/62/41/556596241.db2.gz TZQFRMVJUDRBOQ-UHFFFAOYSA-N 0 0 439.537 4.225 40 0 IIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)cc1 ZINC000016293336 556598466 /nfs/dbraw/zinc/59/84/66/556598466.db2.gz AHPFNGMKCUWMKJ-UHFFFAOYSA-N 0 0 430.570 4.404 40 0 IIABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000016429000 556607098 /nfs/dbraw/zinc/60/70/98/556607098.db2.gz FVBFSIORUWLVLE-UHFFFAOYSA-N 0 0 443.352 4.232 40 0 IIABRN Nc1c(C(=O)Nc2ccccc2)nnc2c(Br)c(-c3ccc(Cl)cc3)nn21 ZINC000016489713 556612343 /nfs/dbraw/zinc/61/23/43/556612343.db2.gz BJUJAGQONOTXCF-UHFFFAOYSA-N 0 0 443.692 4.042 40 0 IIABRN COc1ccc(-c2csc(NC(=S)NC(=O)CC(C)C)n2)cc1Br ZINC000016575030 556615671 /nfs/dbraw/zinc/61/56/71/556615671.db2.gz GKSXDFVWVXKYJT-UHFFFAOYSA-N 0 0 428.377 4.440 40 0 IIABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccc(C)cc1 ZINC000038755325 556617593 /nfs/dbraw/zinc/61/75/93/556617593.db2.gz ILBLFZMYPHMIAB-JOCHJYFZSA-N 0 0 444.597 4.449 40 0 IIABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(OC)cc1 ZINC000038756864 556618662 /nfs/dbraw/zinc/61/86/62/556618662.db2.gz VQRIYBLZKWMJIA-HSZRJFAPSA-N 0 0 444.597 4.305 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000038772914 556619375 /nfs/dbraw/zinc/61/93/75/556619375.db2.gz PPARMGUFMAXRED-QGZVFWFLSA-N 0 0 446.569 4.009 40 0 IIABRN CC(C)c1nc2c3ccccc3nc(SCC(=O)N3N=CC[C@H]3c3ccccc3)n2n1 ZINC000038784210 556619755 /nfs/dbraw/zinc/61/97/55/556619755.db2.gz VGTOVALSAOSXHY-IBGZPJMESA-N 0 0 430.537 4.452 40 0 IIABRN COc1ccc(CCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000038848941 556624094 /nfs/dbraw/zinc/62/40/94/556624094.db2.gz BPTUSYXHYDTXGW-UHFFFAOYSA-N 0 0 431.374 4.029 40 0 IIABRN Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1Cl ZINC000038849706 556624486 /nfs/dbraw/zinc/62/44/86/556624486.db2.gz BCCBKSSGCPTKSR-IBGZPJMESA-N 0 0 436.961 4.112 40 0 IIABRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N(C(C)=O)N1C ZINC000016682593 556624555 /nfs/dbraw/zinc/62/45/55/556624555.db2.gz MQHINXKMGXIHBJ-LJQANCHMSA-N 0 0 435.311 4.084 40 0 IIABRN CCc1cccc(CC)c1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038856271 556625814 /nfs/dbraw/zinc/62/58/14/556625814.db2.gz KSNABVVCSPNJEQ-OAQYLSRUSA-N 0 0 444.597 4.275 40 0 IIABRN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3C)C2)cc1 ZINC000016693575 556627924 /nfs/dbraw/zinc/62/79/24/556627924.db2.gz RYOFCPPUNRXQDQ-OAQYLSRUSA-N 0 0 437.521 4.341 40 0 IIABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(O)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000100977395 556633646 /nfs/dbraw/zinc/63/36/46/556633646.db2.gz OXYHMUFBTGERQS-SGNDLWITSA-N 0 0 444.487 4.232 40 0 IIABRN COCc1nn2c(nnc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 ZINC000040392125 556638142 /nfs/dbraw/zinc/63/81/42/556638142.db2.gz IONNQLUDZCMOSE-UHFFFAOYSA-N 0 0 449.873 4.093 40 0 IIABRN COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4cccc(Cl)c4)c3c2=O)cc1 ZINC000040398355 556639999 /nfs/dbraw/zinc/63/99/99/556639999.db2.gz SDFWJEJQMBYVNZ-UHFFFAOYSA-N 0 0 445.910 4.319 40 0 IIABRN CCOC(=O)c1c(C)nn2c1ncc1c2ccn(-c2ccc(Oc3ccccc3)cc2)c1=O ZINC000040397947 556640013 /nfs/dbraw/zinc/64/00/13/556640013.db2.gz ZGZLKKFNMQXXFV-UHFFFAOYSA-N 0 0 440.459 4.311 40 0 IIABRN COc1cccc(-c2c3c(ccn(Cc4ccccc4Cl)c3=O)nc3nc(C)nn32)c1 ZINC000040398514 556640267 /nfs/dbraw/zinc/64/02/67/556640267.db2.gz KWDNWFVDVYDVGK-UHFFFAOYSA-N 0 0 431.883 4.125 40 0 IIABRN COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(C)(C)C ZINC000016780598 556641718 /nfs/dbraw/zinc/64/17/18/556641718.db2.gz ZMTPVKCLOSLFLQ-UHFFFAOYSA-N 0 0 445.322 4.398 40 0 IIABRN CCCOc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OCC ZINC000016807427 556644476 /nfs/dbraw/zinc/64/44/76/556644476.db2.gz XYXXPIXRNVNZMM-CSEDCYJQSA-N 0 0 433.533 4.057 40 0 IIABRN Cc1ccccc1[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000044841056 556668398 /nfs/dbraw/zinc/66/83/98/556668398.db2.gz YVISYMNZNAZLOD-HSZRJFAPSA-N 0 0 442.968 4.320 40 0 IIABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc(C)cc1 ZINC000044847317 556669639 /nfs/dbraw/zinc/66/96/39/556669639.db2.gz QFFVATFOPPNDLU-QFIPXVFZSA-N 0 0 449.016 4.458 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000044846899 556669737 /nfs/dbraw/zinc/66/97/37/556669737.db2.gz LGHLSFBMQHFDBV-QHCPKHFHSA-N 0 0 426.582 4.367 40 0 IIABRN CC[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044848045 556669953 /nfs/dbraw/zinc/66/99/53/556669953.db2.gz NJEICWZGBSENLL-SFHVURJKSA-N 0 0 429.369 4.335 40 0 IIABRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044883412 556674822 /nfs/dbraw/zinc/67/48/22/556674822.db2.gz KDWRBHSQUVNMSY-QHCPKHFHSA-N 0 0 442.968 4.320 40 0 IIABRN CC(C)c1ccc(OCC(=O)NCc2ccccc2-n2ccnc2)c(Br)c1 ZINC000044900867 556677351 /nfs/dbraw/zinc/67/73/51/556677351.db2.gz UBJPVMRUQRVDGT-UHFFFAOYSA-N 0 0 428.330 4.453 40 0 IIABRN COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000044900941 556677456 /nfs/dbraw/zinc/67/74/56/556677456.db2.gz ILFGBEPSIWKPLM-UHFFFAOYSA-N 0 0 430.913 4.079 40 0 IIABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044902681 556678506 /nfs/dbraw/zinc/67/85/06/556678506.db2.gz DVCFLFFXKGHOEE-INIZCTEOSA-N 0 0 429.369 4.335 40 0 IIABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000017959284 556680501 /nfs/dbraw/zinc/68/05/01/556680501.db2.gz YHZWHMYWOXGMPR-KRWDZBQOSA-N 0 0 434.989 4.325 40 0 IIABRN CSc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000017972621 556680600 /nfs/dbraw/zinc/68/06/00/556680600.db2.gz WBWQUMUKRSXTAP-UHFFFAOYSA-N 0 0 426.563 4.482 40 0 IIABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000046894212 556694563 /nfs/dbraw/zinc/69/45/63/556694563.db2.gz BSXVDGDJAZLUIE-UHFFFAOYSA-N 0 0 428.554 4.435 40 0 IIABRN O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000257200818 556701020 /nfs/dbraw/zinc/70/10/20/556701020.db2.gz AFADXZVPNWQIDU-VPUSJEBWSA-N 0 0 434.580 4.344 40 0 IIABRN Cn1nc([C@H]2CN(Cc3ccc4ncccc4c3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257204426 556701579 /nfs/dbraw/zinc/70/15/79/556701579.db2.gz AUONFSWHWSNJLM-AREMUKBSSA-N 0 0 446.526 4.302 40 0 IIABRN COc1ccc(CC(=O)N2CCC(c3nc(C4CC4)ncc3-c3cc(C)no3)CC2)cc1 ZINC000019122848 556701651 /nfs/dbraw/zinc/70/16/51/556701651.db2.gz AHWJRSNUUUBYNO-UHFFFAOYSA-N 0 0 432.524 4.275 40 0 IIABRN COc1ccc(CC(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cc(C)no3)CC2)cc1 ZINC000019122852 556701672 /nfs/dbraw/zinc/70/16/72/556701672.db2.gz QNIIKPBNXZTUQC-UHFFFAOYSA-N 0 0 449.555 4.218 40 0 IIABRN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3c(F)cccc3F)CC2)on1 ZINC000019122927 556701978 /nfs/dbraw/zinc/70/19/78/556701978.db2.gz SBWZLRSEYQDGSE-UHFFFAOYSA-N 0 0 439.466 4.312 40 0 IIABRN Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C(=O)c3ccco3)CC2)on1 ZINC000019123067 556701983 /nfs/dbraw/zinc/70/19/83/556701983.db2.gz HHINBWJLAKWGKJ-UHFFFAOYSA-N 0 0 435.528 4.289 40 0 IIABRN O=C(c1ccccc1Nc1ccccc1)N1CC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 ZINC000257208280 556702073 /nfs/dbraw/zinc/70/20/73/556702073.db2.gz BLLSIDSOBWZTSK-SANMLTNESA-N 0 0 445.494 4.217 40 0 IIABRN CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)c2cccnc2)CC1 ZINC000257209450 556702278 /nfs/dbraw/zinc/70/22/78/556702278.db2.gz BQKKWOGCIFEEME-UHFFFAOYSA-N 0 0 445.538 4.441 40 0 IIABRN Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)CCc3ccccc3)cc2)on1 ZINC000019123858 556702548 /nfs/dbraw/zinc/70/25/48/556702548.db2.gz AILFFZRKSSQJKI-UHFFFAOYSA-N 0 0 441.535 4.422 40 0 IIABRN Cn1nc([C@H]2CN(Cc3cccc4cccnc43)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257214294 556702604 /nfs/dbraw/zinc/70/26/04/556702604.db2.gz CLLZAAJQJZIGCI-RUZDIDTESA-N 0 0 446.526 4.302 40 0 IIABRN CCCN1CCN(C(=O)c2ccccn2)[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257211848 556702646 /nfs/dbraw/zinc/70/26/46/556702646.db2.gz CASOFJYQGYRADW-XMMPIXPASA-N 0 0 443.547 4.063 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257322418 556704561 /nfs/dbraw/zinc/70/45/61/556704561.db2.gz WFWXIGUNONVFEC-IBGZPJMESA-N 0 0 440.503 4.148 40 0 IIABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257323768 556704578 /nfs/dbraw/zinc/70/45/78/556704578.db2.gz WLTWOATVBWOYFT-NRFANRHFSA-N 0 0 441.510 4.412 40 0 IIABRN COc1ccc(C2(C(=O)N3CC[C@]4(CN(Cc5ccccc5)C(=O)O4)C3)CCCC2)cc1 ZINC000257331505 556705977 /nfs/dbraw/zinc/70/59/77/556705977.db2.gz XTDBICYYJKDNMN-RUZDIDTESA-N 0 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Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H](C)Oc3ccc(C)cc3)C1)N2 ZINC000019210831 556709193 /nfs/dbraw/zinc/70/91/93/556709193.db2.gz NLSLLLBPCHHIKB-KVPLUYHFSA-N 0 0 432.515 4.196 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000257233057 556709415 /nfs/dbraw/zinc/70/94/15/556709415.db2.gz GNNSVMFMTXJQBU-QHCPKHFHSA-N 0 0 431.536 4.083 40 0 IIABRN Cc1onc(-c2ccc(C)cc2)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(F)cc1 ZINC000019212017 556709702 /nfs/dbraw/zinc/70/97/02/556709702.db2.gz AVNHPRMJGMVGTK-OAQYLSRUSA-N 0 0 446.482 4.203 40 0 IIABRN COc1ccccc1CC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1 ZINC000019212870 556710550 /nfs/dbraw/zinc/71/05/50/556710550.db2.gz IUKHKFBRKPOMQI-DEOSSOPVSA-N 0 0 442.559 4.030 40 0 IIABRN Cc1cc(-c2cnc(NCCNC(=O)c3ccc(C)nc3)nc2-c2ccc(C)s2)on1 ZINC000019214931 556711623 /nfs/dbraw/zinc/71/16/23/556711623.db2.gz YPNOYKLZIXIKKM-UHFFFAOYSA-N 0 0 434.525 4.022 40 0 IIABRN COc1ccc(OCCc2cc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)[nH]n2)cc1 ZINC000257250549 556711664 /nfs/dbraw/zinc/71/16/64/556711664.db2.gz JMYYPFZJTBMHSN-AREMUKBSSA-N 0 0 444.535 4.162 40 0 IIABRN COc1ccc(OCCc2cc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)[nH]n2)cc1 ZINC000257250550 556711744 /nfs/dbraw/zinc/71/17/44/556711744.db2.gz JMYYPFZJTBMHSN-SANMLTNESA-N 0 0 444.535 4.162 40 0 IIABRN COCCOc1ccc([C@H]2N[C@@H](c3ccc(C)cn3)Cc3cc(OC)c(OC)cc32)cc1 ZINC000019216084 556711941 /nfs/dbraw/zinc/71/19/41/556711941.db2.gz SKJGBPGOBGJIJT-ZEQKJWHPSA-N 0 0 434.536 4.409 40 0 IIABRN CCCN1CCN(C(=O)c2ccc[nH]c2=O)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257262633 556712635 /nfs/dbraw/zinc/71/26/35/556712635.db2.gz LMDUECGPSAYWJI-JOCHJYFZSA-N 0 0 443.547 4.008 40 0 IIABRN Cc1cc(-c2cnc(NCCNC(=O)c3cccs3)nc2-c2ccc(C)s2)on1 ZINC000019217440 556712774 /nfs/dbraw/zinc/71/27/74/556712774.db2.gz RRHIWFIYKIFNTF-UHFFFAOYSA-N 0 0 425.539 4.380 40 0 IIABRN O=C(CCCc1cn[nH]c1)N[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000257264238 556712969 /nfs/dbraw/zinc/71/29/69/556712969.db2.gz LTNJQMMGAGJCQZ-QFZRFWILSA-N 0 0 435.524 4.002 40 0 IIABRN CCCN1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257264221 556712987 /nfs/dbraw/zinc/71/29/87/556712987.db2.gz LTKKRRDAZSXASA-QHCPKHFHSA-N 0 0 443.547 4.008 40 0 IIABRN Cc1cccc(CC(=O)N2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)c1 ZINC000019234595 556718715 /nfs/dbraw/zinc/71/87/15/556718715.db2.gz XXEXVUZRCSGXQA-NDEPHWFRSA-N 0 0 441.575 4.149 40 0 IIABRN Cc1ncsc1C(=O)N1CCC[C@@](Cc2cccc(-c3cccc(C)c3)c2)(C(N)=O)C1 ZINC000019235435 556719887 /nfs/dbraw/zinc/71/98/87/556719887.db2.gz LZXQJEWRTIUIMS-VWLOTQADSA-N 0 0 433.577 4.377 40 0 IIABRN COc1ccccc1C(=O)N1CCNC(=O)[C@H](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000019237475 556722105 /nfs/dbraw/zinc/72/21/05/556722105.db2.gz RPAVEQGIRNDMNN-JOCHJYFZSA-N 0 0 428.532 4.102 40 0 IIABRN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCc2ccccc2)cc(N(C)C)n1 ZINC000019240855 556726196 /nfs/dbraw/zinc/72/61/96/556726196.db2.gz LJWFCSYCTXOEQN-HSZRJFAPSA-N 0 0 427.552 4.365 40 0 IIABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(N(C)C)cc2)cc(N(C)C)n1 ZINC000019240890 556726587 /nfs/dbraw/zinc/72/65/87/556726587.db2.gz UWQAQYFPXBMBBM-QHCPKHFHSA-N 0 0 442.567 4.112 40 0 IIABRN COc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)s1 ZINC000019240894 556726635 /nfs/dbraw/zinc/72/66/35/556726635.db2.gz CTNPLSSVSVGXDP-GOSISDBHSA-N 0 0 435.553 4.116 40 0 IIABRN Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000000874872 556728211 /nfs/dbraw/zinc/72/82/11/556728211.db2.gz YIELRPUSACTYDD-OAQYLSRUSA-N 0 0 435.593 4.201 40 0 IIABRN CC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3cccc(Br)c3)n2)cc1 ZINC000000873623 556728286 /nfs/dbraw/zinc/72/82/86/556728286.db2.gz LZOFGUAJOYVTQC-UHFFFAOYSA-N 0 0 431.315 4.168 40 0 IIABRN Cn1c(C(=O)N2C[C@@H](c3ccccc3F)[C@]3(C2)CCCCC(=O)N3)cc2cc(F)ccc21 ZINC000019289768 556729557 /nfs/dbraw/zinc/72/95/57/556729557.db2.gz SDTRFRCKFVHZGW-UQBPGWFLSA-N 0 0 437.490 4.125 40 0 IIABRN Cc1cc2cc3c(cc2n2c(SCC(=O)N4CCCc5ccccc54)nnc12)OCCO3 ZINC000000877393 556729752 /nfs/dbraw/zinc/72/97/52/556729752.db2.gz HQSVWHGBGUMZQD-UHFFFAOYSA-N 0 0 446.532 4.034 40 0 IIABRN COc1ccc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(OC(C)=O)cc(C)c32)cc1 ZINC000000881832 556732946 /nfs/dbraw/zinc/73/29/46/556732946.db2.gz GJPUAQJHIDTDIY-NTKDMRAZSA-N 0 0 440.565 4.186 40 0 IIABRN O=C([C@H]1CCCO1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019294115 556734042 /nfs/dbraw/zinc/73/40/42/556734042.db2.gz QSRPKQWXOXOJTG-LEWJYISDSA-N 0 0 433.487 4.264 40 0 IIABRN O=C([C@@H]1CCCCO1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294155 556734051 /nfs/dbraw/zinc/73/40/51/556734051.db2.gz DLGKRWXZEOFAPP-AVRDEDQJSA-N 0 0 447.514 4.306 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC[C@H]3CCCO3)cc12 ZINC000000883277 556734052 /nfs/dbraw/zinc/73/40/52/556734052.db2.gz HDOFRAMOXJXVIW-OAQYLSRUSA-N 0 0 435.593 4.201 40 0 IIABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000000883848 556734082 /nfs/dbraw/zinc/73/40/82/556734082.db2.gz JDGMLYQCFUDSQN-OAHLLOKOSA-N 0 0 445.566 4.122 40 0 IIABRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000000901269 556742195 /nfs/dbraw/zinc/74/21/95/556742195.db2.gz NIGBPSCJYWJDBL-MGPQQGTHSA-N 0 0 425.476 4.279 40 0 IIABRN NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CCc2ccccc2F)C1 ZINC000019348589 556744086 /nfs/dbraw/zinc/74/40/86/556744086.db2.gz KCZBZJSCOBZAIG-RUZDIDTESA-N 0 0 436.552 4.434 40 0 IIABRN Cc1cccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c12 ZINC000000913508 556745506 /nfs/dbraw/zinc/74/55/06/556745506.db2.gz OBYLEAPUCREWGA-UHFFFAOYSA-N 0 0 436.508 4.367 40 0 IIABRN CCOC(=O)C(C)(C)Sc1nnc(COc2ccc(Br)cc2)n1CC ZINC000000916053 556746587 /nfs/dbraw/zinc/74/65/87/556746587.db2.gz MERKEQNPVWKUBO-UHFFFAOYSA-N 0 0 428.352 4.073 40 0 IIABRN O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000019369453 556747189 /nfs/dbraw/zinc/74/71/89/556747189.db2.gz IPMYMMYWLKKRKW-CTNGQTDRSA-N 0 0 429.499 4.225 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000923443 556751077 /nfs/dbraw/zinc/75/10/77/556751077.db2.gz RRZGGGWQRAUPNZ-UHFFFAOYSA-N 0 0 448.544 4.236 40 0 IIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000000926733 556753414 /nfs/dbraw/zinc/75/34/14/556753414.db2.gz APXVJXJUCMTNNK-UHFFFAOYSA-N 0 0 432.528 4.042 40 0 IIABRN CCC(C)(C)n1nnnc1CN(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926085 556753563 /nfs/dbraw/zinc/75/35/63/556753563.db2.gz OHYDSARPIFURQM-UHFFFAOYSA-N 0 0 436.585 4.232 40 0 IIABRN C[C@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccccc5F)nnc4c23)C1 ZINC000000929601 556755490 /nfs/dbraw/zinc/75/54/90/556755490.db2.gz OYUBQQGQSVCNIM-NSHDSACASA-N 0 0 427.530 4.334 40 0 IIABRN O=C(NCc1ccccc1)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)c1cnccn1 ZINC000000931135 556756774 /nfs/dbraw/zinc/75/67/74/556756774.db2.gz ANHMZPOVFYFOCY-QHCPKHFHSA-N 0 0 442.544 4.238 40 0 IIABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000019449039 556759256 /nfs/dbraw/zinc/75/92/56/556759256.db2.gz FCLZITYHQYCNBR-YIXXDRMTSA-N 0 0 431.580 4.225 40 0 IIABRN Cc1cc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)n2C)ccc1Cl ZINC000000933811 556759572 /nfs/dbraw/zinc/75/95/72/556759572.db2.gz GQHLEOGPJVIBFO-UHFFFAOYSA-N 0 0 426.929 4.490 40 0 IIABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccccc2)C1 ZINC000019449253 556759602 /nfs/dbraw/zinc/75/96/02/556759602.db2.gz AAPJNLOBZOSWDJ-NDEPHWFRSA-N 0 0 441.575 4.277 40 0 IIABRN Cc1cc(S(=O)(=O)N(CCC2=CCCCC2)Cc2ccccc2)ccc1-n1cnnn1 ZINC000000934074 556759809 /nfs/dbraw/zinc/75/98/09/556759809.db2.gz WTPRUBLGEZCHIL-UHFFFAOYSA-N 0 0 437.569 4.052 40 0 IIABRN CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000019451128 556761812 /nfs/dbraw/zinc/76/18/12/556761812.db2.gz JRNQTWYNGVBSOL-LJQANCHMSA-N 0 0 441.984 4.498 40 0 IIABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3F)C2=O)cc1 ZINC000101195630 556761832 /nfs/dbraw/zinc/76/18/32/556761832.db2.gz 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556823754 /nfs/dbraw/zinc/82/37/54/556823754.db2.gz GSIXBHAGHQDMIW-QHCPKHFHSA-N 0 0 428.598 4.128 40 0 IIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CCc2ccccc2)C1 ZINC000019591090 556825518 /nfs/dbraw/zinc/82/55/18/556825518.db2.gz SPUTZPWWMNTRBJ-MUUNZHRXSA-N 0 0 441.575 4.279 40 0 IIABRN COc1cc(OC)cc(C(=O)N2CCC(c3nc(C4CC4)ncc3-c3ccncc3)CC2)c1 ZINC000019595031 556830747 /nfs/dbraw/zinc/83/07/47/556830747.db2.gz MDMRFYLBWAUUMF-UHFFFAOYSA-N 0 0 444.535 4.453 40 0 IIABRN Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c2c1 ZINC000006282210 556831080 /nfs/dbraw/zinc/83/10/80/556831080.db2.gz RUCGUTDMGZOBEE-JOCHJYFZSA-N 0 0 428.540 4.120 40 0 IIABRN Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321408 556833019 /nfs/dbraw/zinc/83/30/19/556833019.db2.gz QBBKZZNRMBJEPX-BXKMTCNYSA-N 0 0 442.567 4.001 40 0 IIABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCCc1ccccc1)C1CCCC1)OCO3 ZINC000006446463 556833489 /nfs/dbraw/zinc/83/34/89/556833489.db2.gz SXPZBXNENSFNMV-UHFFFAOYSA-N 0 0 449.576 4.119 40 0 IIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000019634230 556833974 /nfs/dbraw/zinc/83/39/74/556833974.db2.gz MVTKULNKVYQLQV-UHFFFAOYSA-N 0 0 441.534 4.144 40 0 IIABRN Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H](c4ccc(Cc5cccc(F)c5)cn4)C3)c2n1 ZINC000019688287 556842988 /nfs/dbraw/zinc/84/29/88/556842988.db2.gz LTCAVANSRFBOOH-OAQYLSRUSA-N 0 0 443.526 4.491 40 0 IIABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000008677174 556844210 /nfs/dbraw/zinc/84/42/10/556844210.db2.gz INFKTFRMKAIYGH-NRFANRHFSA-N 0 0 436.464 4.106 40 0 IIABRN CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2cccnc2)Cc2cccc(F)c2)C1=O ZINC000008677260 556844318 /nfs/dbraw/zinc/84/43/18/556844318.db2.gz LUBOMTRMLWDRSP-QHCPKHFHSA-N 0 0 447.510 4.262 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)o1 ZINC000019690003 556845207 /nfs/dbraw/zinc/84/52/07/556845207.db2.gz MPIKJMLSLRRGFP-SFHVURJKSA-N 0 0 425.920 4.445 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)o1 ZINC000019690005 556845213 /nfs/dbraw/zinc/84/52/13/556845213.db2.gz MPIKJMLSLRRGFP-GOSISDBHSA-N 0 0 425.920 4.445 40 0 IIABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 ZINC000019690237 556845627 /nfs/dbraw/zinc/84/56/27/556845627.db2.gz LVAVXQZWIBTIMA-LJQANCHMSA-N 0 0 445.972 4.499 40 0 IIABRN CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)c(C)n1 ZINC000019692040 556847983 /nfs/dbraw/zinc/84/79/83/556847983.db2.gz CPJXTYVOSORNAM-JOCHJYFZSA-N 0 0 442.560 4.171 40 0 IIABRN CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1 ZINC000019692043 556848219 /nfs/dbraw/zinc/84/82/19/556848219.db2.gz OQQWVLVGEJJVOX-QHCPKHFHSA-N 0 0 438.597 4.340 40 0 IIABRN O=C1c2ccccc2N[C@]1(O[C@]1(c2ccccn2)Nc2ccccc2C1=O)c1ccccn1 ZINC000068591653 556848817 /nfs/dbraw/zinc/84/88/17/556848817.db2.gz KGMQTRDUDMMQTR-UIOOFZCWSA-N 0 0 434.455 4.116 40 0 IIABRN O=C1c2ccccc2N[C@@]1(O[C@]1(c2ccccn2)Nc2ccccc2C1=O)c1ccccn1 ZINC000068591651 556848838 /nfs/dbraw/zinc/84/88/38/556848838.db2.gz KGMQTRDUDMMQTR-WMPKNSHKSA-N 0 0 434.455 4.116 40 0 IIABRN COc1cccc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(F)c3)CC2)c1 ZINC000019694165 556849670 /nfs/dbraw/zinc/84/96/70/556849670.db2.gz JLQHPEMRHGHUTG-UHFFFAOYSA-N 0 0 434.515 4.377 40 0 IIABRN Cc1nc(CC(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(F)c3)CC2)cs1 ZINC000019695342 556852161 /nfs/dbraw/zinc/85/21/61/556852161.db2.gz GWTUAYCRTQCVNF-UHFFFAOYSA-N 0 0 439.560 4.062 40 0 IIABRN O=C(Cc1ccncc1)N1CCC[C@@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019695664 556852475 /nfs/dbraw/zinc/85/24/75/556852475.db2.gz XRBBYILZACZRCL-LJQANCHMSA-N 0 0 444.514 4.053 40 0 IIABRN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000408786402 556856415 /nfs/dbraw/zinc/85/64/15/556856415.db2.gz JJCSSUOBMFQJCN-UHFFFAOYSA-N 0 0 431.602 4.308 40 0 IIABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S1 ZINC000408800767 556858349 /nfs/dbraw/zinc/85/83/49/556858349.db2.gz QUSZXNQKFUSLSF-UHFFFAOYSA-N 0 0 435.909 4.137 40 0 IIABRN Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(C(=O)C5CCC5)CC4)nc32)cc1 ZINC000019703442 556861788 /nfs/dbraw/zinc/86/17/88/556861788.db2.gz SRQPXLKDONBBDP-UHFFFAOYSA-N 0 0 432.568 4.079 40 0 IIABRN Cc1nc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc2c1CCCN2CC1CC1 ZINC000019705734 556862967 /nfs/dbraw/zinc/86/29/67/556862967.db2.gz PFBLORWTKJLQNU-UHFFFAOYSA-N 0 0 443.595 4.378 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)nc2c1CCCN2CC1CC1 ZINC000019706243 556864369 /nfs/dbraw/zinc/86/43/69/556864369.db2.gz APOWCFNHYUHZGM-NRFANRHFSA-N 0 0 436.604 4.021 40 0 IIABRN Cc1nc(C2CCN(C(=O)CC[C@H]3CCCO3)CC2)nc2c1CCCN2Cc1ccccc1 ZINC000019706672 556864927 /nfs/dbraw/zinc/86/49/27/556864927.db2.gz ODHLYJCWIFKUML-HSZRJFAPSA-N 0 0 448.611 4.403 40 0 IIABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)cn1 ZINC000019706870 556865635 /nfs/dbraw/zinc/86/56/35/556865635.db2.gz SGKXJOQBBKIOPU-HSZRJFAPSA-N 0 0 442.567 4.204 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3csc(Cc4ccccc4)n3)C2)nc2c1CCCN2C ZINC000019706915 556865642 /nfs/dbraw/zinc/86/56/42/556865642.db2.gz PSQBJFAKPKCNBY-LJQANCHMSA-N 0 0 447.608 4.235 40 0 IIABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)o1 ZINC000019706968 556866037 /nfs/dbraw/zinc/86/60/37/556866037.db2.gz ZMHJZPXUFOQUDV-OAQYLSRUSA-N 0 0 445.567 4.362 40 0 IIABRN O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000408822249 556866268 /nfs/dbraw/zinc/86/62/68/556866268.db2.gz JMWAWMSATPIXCE-UHFFFAOYSA-N 0 0 426.394 4.496 40 0 IIABRN C=C1[NH+]=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2ccc(OC)cc2)C1C(=O)OCC ZINC000408866804 556873637 /nfs/dbraw/zinc/87/36/37/556873637.db2.gz JEGKUSKQXOTWEM-FQEVSTJZSA-N 0 0 440.521 4.164 40 0 IIABRN O=C(COc1ccc(I)cc1)Nc1ccc(Br)cc1 ZINC000070133384 556873905 /nfs/dbraw/zinc/87/39/05/556873905.db2.gz FAMBBTMUQVNJAN-UHFFFAOYSA-N 0 0 432.055 4.071 40 0 IIABRN CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c12 ZINC000019742343 556886160 /nfs/dbraw/zinc/88/61/60/556886160.db2.gz MYPSJOMTXYUDHC-ZDUSSCGKSA-N 0 0 432.450 4.212 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019743149 556887387 /nfs/dbraw/zinc/88/73/87/556887387.db2.gz GQVKQIWTNYKXTN-OAQYLSRUSA-N 0 0 433.556 4.017 40 0 IIABRN Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1c1cc(C(F)(F)F)c2c(N)n[nH]c2n1 ZINC000019743500 556888327 /nfs/dbraw/zinc/88/83/27/556888327.db2.gz NJAWAHXGNAVFBR-MRXNPFEDSA-N 0 0 447.461 4.308 40 0 IIABRN CC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000408939965 556896497 /nfs/dbraw/zinc/89/64/97/556896497.db2.gz SXEDHBFEKLSXLV-AWEZNQCLSA-N 0 0 429.369 4.099 40 0 IIABRN Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754181 556897566 /nfs/dbraw/zinc/89/75/66/556897566.db2.gz MJVOKFURGRCWDE-NRFANRHFSA-N 0 0 449.942 4.382 40 0 IIABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H]1c1ncc(C(=O)NCc2ccccc2)c(C)n1 ZINC000019755030 556898096 /nfs/dbraw/zinc/89/80/96/556898096.db2.gz MPFBTVQLXBLZCB-HXUWFJFHSA-N 0 0 447.539 4.112 40 0 IIABRN COc1cccc(CNC(=O)c2cnc([C@H]3CCN(c4ccc(Cl)cc4)C3)nc2C)c1 ZINC000019754823 556898162 /nfs/dbraw/zinc/89/81/62/556898162.db2.gz NTGYBRXOKVZVHN-SFHVURJKSA-N 0 0 436.943 4.371 40 0 IIABRN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ncc(C(=O)NCc2ccccc2)c(C)n1 ZINC000019755205 556898581 /nfs/dbraw/zinc/89/85/81/556898581.db2.gz CFXXZUNMRGKYLO-XMMPIXPASA-N 0 0 446.599 4.446 40 0 IIABRN COc1ccc2oc(C(=O)N3CCC[C@@H]3c3ncc(C(=O)N4CCCCC4)c(C)n3)cc2c1 ZINC000019756243 556899764 /nfs/dbraw/zinc/89/97/64/556899764.db2.gz PWESASOCQGLVDJ-HXUWFJFHSA-N 0 0 448.523 4.143 40 0 IIABRN CCNc1nc(C)c(C(=O)N2CCC(Cc3cc(N4CCCCC4)nc(C)n3)CC2)s1 ZINC000019758411 556902143 /nfs/dbraw/zinc/90/21/43/556902143.db2.gz CYYAFKISWFFACI-UHFFFAOYSA-N 0 0 442.633 4.067 40 0 IIABRN COc1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408973968 556904965 /nfs/dbraw/zinc/90/49/65/556904965.db2.gz SBPJKEFUGYUSSN-SANMLTNESA-N 0 0 446.572 4.442 40 0 IIABRN COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000408972413 556907461 /nfs/dbraw/zinc/90/74/61/556907461.db2.gz SZCUZFJFADOOGX-UHFFFAOYSA-N 0 0 435.307 4.271 40 0 IIABRN CC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408973068 556907527 /nfs/dbraw/zinc/90/75/27/556907527.db2.gz RRVNCKBVXUZGAC-AWEZNQCLSA-N 0 0 429.369 4.099 40 0 IIABRN Cc1nc([C@H]2CCCCN2Cc2cccnc2N(C)C)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019765004 556909735 /nfs/dbraw/zinc/90/97/35/556909735.db2.gz PGKBLYHXBBVHLU-JOCHJYFZSA-N 0 0 448.546 4.365 40 0 IIABRN Cc1cc(-c2cc(=O)n(CC(=O)NCCC3=CCCCC3)nc2-c2ccc(C)s2)on1 ZINC000072337639 556910561 /nfs/dbraw/zinc/91/05/61/556910561.db2.gz HXPGHEQCHZVCNR-UHFFFAOYSA-N 0 0 438.553 4.250 40 0 IIABRN COc1ncc(CN2CCC(c3cc(C(F)(F)F)n4nc(C(C)(C)C)cc4n3)CC2)cn1 ZINC000072341089 556913473 /nfs/dbraw/zinc/91/34/73/556913473.db2.gz UXOCNEWJYFBKEY-UHFFFAOYSA-N 0 0 448.493 4.224 40 0 IIABRN COc1ccc(CC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)cc1C ZINC000072344970 556916322 /nfs/dbraw/zinc/91/63/22/556916322.db2.gz RUIPWCMRFXSQFI-UHFFFAOYSA-N 0 0 426.520 4.325 40 0 IIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072346215 556917795 /nfs/dbraw/zinc/91/77/95/556917795.db2.gz BBGSSQSRGIVJON-INIZCTEOSA-N 0 0 440.906 4.303 40 0 IIABRN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Cl ZINC000409011500 556918175 /nfs/dbraw/zinc/91/81/75/556918175.db2.gz NORIUYFSZQOLSU-FHNWIRHTSA-N 0 0 445.878 4.188 40 0 IIABRN CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)Cc4ccccc4Cl)C3)c(=O)c12 ZINC000072347737 556918950 /nfs/dbraw/zinc/91/89/50/556918950.db2.gz XUKCGDMUGNEMFK-INIZCTEOSA-N 0 0 429.973 4.388 40 0 IIABRN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Cl ZINC000409018410 556919828 /nfs/dbraw/zinc/91/98/28/556919828.db2.gz HHCLRWABSDGXTH-CCRNYGKSSA-N 0 0 441.915 4.357 40 0 IIABRN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350031 556919923 /nfs/dbraw/zinc/91/99/23/556919923.db2.gz MSGOWMJGVCYINT-FQEVSTJZSA-N 0 0 425.960 4.367 40 0 IIABRN COC(=O)c1cccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1C ZINC000409015499 556920701 /nfs/dbraw/zinc/92/07/01/556920701.db2.gz SIBISXIJMOMXLA-UDWIEESQSA-N 0 0 434.423 4.274 40 0 IIABRN CCCN1CCN(C(=O)c2ccc(C)s2)[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000072351525 556921672 /nfs/dbraw/zinc/92/16/72/556921672.db2.gz RGMYGJVRQVDQKU-JOCHJYFZSA-N 0 0 433.577 4.424 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCCCC2)cc1 ZINC000409020949 556922110 /nfs/dbraw/zinc/92/21/10/556922110.db2.gz WCGVXUYRDZVSNR-UHFFFAOYSA-N 0 0 428.598 4.067 40 0 IIABRN CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000409022634 556922998 /nfs/dbraw/zinc/92/29/98/556922998.db2.gz DTPFFFKQANUFKT-KGENOOAVSA-N 0 0 429.476 4.078 40 0 IIABRN Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@H]3c3ccc(Nc4ncccc4C)cn3)c2c1 ZINC000072353111 556925330 /nfs/dbraw/zinc/92/53/30/556925330.db2.gz SXCOXQUPJBBELH-FQEVSTJZSA-N 0 0 443.507 4.109 40 0 IIABRN CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353125 556925717 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Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cc(C)nc(N(C)C)n3)C2)n1 ZINC000072354266 556929953 /nfs/dbraw/zinc/92/99/53/556929953.db2.gz MHQVOCXBUINRCC-OAQYLSRUSA-N 0 0 447.558 4.304 40 0 IIABRN O=C(CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1)Nc1nccs1 ZINC000072359422 556932502 /nfs/dbraw/zinc/93/25/02/556932502.db2.gz LLYLVOGELRPAFE-UHFFFAOYSA-N 0 0 447.486 4.437 40 0 IIABRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860246 556932702 /nfs/dbraw/zinc/93/27/02/556932702.db2.gz ZLNNUYZFZMUCBB-INIZCTEOSA-N 0 0 441.380 4.482 40 0 IIABRN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860316 556932713 /nfs/dbraw/zinc/93/27/13/556932713.db2.gz WOSYYAFIQFSVEA-AWEZNQCLSA-N 0 0 445.343 4.313 40 0 IIABRN O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868145 556934977 /nfs/dbraw/zinc/93/49/77/556934977.db2.gz UXZGQCIZIOOWOF-UHFFFAOYSA-N 0 0 427.353 4.174 40 0 IIABRN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)N1CCN(C(C)C)CC1 ZINC000072370787 556936432 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C[C@@H](NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000020015396 556961740 /nfs/dbraw/zinc/96/17/40/556961740.db2.gz PWMZJLYUZPIGDZ-GFCCVEGCSA-N 0 0 449.787 4.286 40 0 IIABRN COc1cc(Cl)c([C@@H](c2c[nH]c3ccccc32)C2C(=O)OC(C)(C)OC2=O)cc1OC ZINC000409121663 556961787 /nfs/dbraw/zinc/96/17/87/556961787.db2.gz VLJWNLFYVSUIFG-IBGZPJMESA-N 0 0 443.883 4.423 40 0 IIABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000072391264 556961865 /nfs/dbraw/zinc/96/18/65/556961865.db2.gz CGVGQKGCUFNQJW-HHHXNRCGSA-N 0 0 444.579 4.411 40 0 IIABRN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000020017035 556962696 /nfs/dbraw/zinc/96/26/96/556962696.db2.gz TUOHUEWGVIAPFC-QGZVFWFLSA-N 0 0 430.476 4.157 40 0 IIABRN CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O ZINC000409131856 556963394 /nfs/dbraw/zinc/96/33/94/556963394.db2.gz YOFOXSUVCYJNOJ-HMMYKYKNSA-N 0 0 425.506 4.298 40 0 IIABRN CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000072395385 556967000 /nfs/dbraw/zinc/96/70/00/556967000.db2.gz KTXRKEARXSZUIO-HNNXBMFYSA-N 0 0 443.498 4.144 40 0 IIABRN O=C(CC1CCCC1)N1CCC[C@@H](c2nn(CCOc3ccccc3)c3nccnc23)C1 ZINC000072395910 556968334 /nfs/dbraw/zinc/96/83/34/556968334.db2.gz AEMFZLRAEJGXLP-HXUWFJFHSA-N 0 0 433.556 4.192 40 0 IIABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000409133853 556968441 /nfs/dbraw/zinc/96/84/41/556968441.db2.gz UNTUUSAHRXRQBH-MRXNPFEDSA-N 0 0 444.940 4.397 40 0 IIABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c1C ZINC000409134444 556968615 /nfs/dbraw/zinc/96/86/15/556968615.db2.gz STFRJWGINUINHS-LJQANCHMSA-N 0 0 438.549 4.360 40 0 IIABRN CCOC(=O)[C@@H]1CCCN(c2ccc(NCc3cc4cc(OCC)ccc4[nH]c3=O)cc2)C1 ZINC000072396172 556968959 /nfs/dbraw/zinc/96/89/59/556968959.db2.gz HEJJEOLGIVJXAB-GOSISDBHSA-N 0 0 449.551 4.318 40 0 IIABRN CCOC(=O)C1CCN(c2ccc(NCc3cc4ccc(CC)cc4[nH]c3=O)cc2)CC1 ZINC000072396164 556968979 /nfs/dbraw/zinc/96/89/79/556968979.db2.gz 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COc1ccc(-c2noc(CN(C)C(=O)c3cc4ccccc4cc3OC)n2)c(OC)c1 ZINC000219396594 557241731 /nfs/dbraw/zinc/24/17/31/557241731.db2.gz LLTBYHKQONBUDU-UHFFFAOYSA-N 0 0 433.464 4.188 40 0 IIABRN Cc1oc2c(c1C(=O)NC[C@@H]1CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)CC1)CCCC2 ZINC000100156214 557244691 /nfs/dbraw/zinc/24/46/91/557244691.db2.gz XFACAKSOFLGRNH-CALCHBBNSA-N 0 0 435.528 4.319 40 0 IIABRN Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)Cc4ccc(Cl)cc4)CC3)o2)cn1 ZINC000100156196 557244704 /nfs/dbraw/zinc/24/47/04/557244704.db2.gz UNYHBPBQAYTTBH-CALCHBBNSA-N 0 0 425.920 4.121 40 0 IIABRN COc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4scnc4C)o3)CC2)c(OC)c1 ZINC000100156484 557244993 /nfs/dbraw/zinc/24/49/93/557244993.db2.gz KCFSTFJDOLDBLW-GASCZTMLSA-N 0 0 442.541 4.223 40 0 IIABRN CCC(=O)Nc1nc2ccc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2s1 ZINC000057315620 557245486 /nfs/dbraw/zinc/24/54/86/557245486.db2.gz HOEISMXKUGRUQK-UHFFFAOYSA-N 0 0 427.379 4.462 40 0 IIABRN COc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1Br ZINC000057316089 557246034 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CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220579149 557301578 /nfs/dbraw/zinc/30/15/78/557301578.db2.gz ABTOOSAJAYSHEB-NHCUHLMSSA-N 0 0 444.597 4.267 40 0 IIABRN CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000220680753 557306147 /nfs/dbraw/zinc/30/61/47/557306147.db2.gz MAWFROGRSZCDPJ-PGRDOPGGSA-N 0 0 432.586 4.124 40 0 IIABRN CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220684807 557306609 /nfs/dbraw/zinc/30/66/09/557306609.db2.gz LZCBYWARPNSPPE-GOSISDBHSA-N 0 0 441.380 4.123 40 0 IIABRN CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220721315 557309706 /nfs/dbraw/zinc/30/97/06/557309706.db2.gz PFTDYQRDOJMTFG-HXUWFJFHSA-N 0 0 437.005 4.250 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220722981 557309747 /nfs/dbraw/zinc/30/97/47/557309747.db2.gz JTDUPHXJBAPRJZ-KXBFYZLASA-N 0 0 438.977 4.079 40 0 IIABRN CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 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IIABRN CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222508190 557346201 /nfs/dbraw/zinc/34/62/01/557346201.db2.gz AXTDRSOFTQNPMQ-YWZLYKJASA-N 0 0 440.968 4.161 40 0 IIABRN CN(c1ccc(C(=O)NCCSCc2ccccc2Cl)c(Cl)c1)S(C)(=O)=O ZINC000222510845 557346442 /nfs/dbraw/zinc/34/64/42/557346442.db2.gz NEPDGDFTBBDBSY-UHFFFAOYSA-N 0 0 447.409 4.052 40 0 IIABRN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccccc2Br)n1C ZINC000013568140 557346898 /nfs/dbraw/zinc/34/68/98/557346898.db2.gz DZQVIUJQNWQUIP-ZDUSSCGKSA-N 0 0 447.358 4.448 40 0 IIABRN COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)Nc3ccc(C)cc3)cc2c1 ZINC000013570726 557347765 /nfs/dbraw/zinc/34/77/65/557347765.db2.gz LDWVXFUFWGWDGO-NRFANRHFSA-N 0 0 437.565 4.223 40 0 IIABRN COc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000222531194 557347885 /nfs/dbraw/zinc/34/78/85/557347885.db2.gz ORTLBXLDVKYFAH-UHFFFAOYSA-N 0 0 430.913 4.426 40 0 IIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000222538046 557348597 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4.105 40 0 IIABRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@@H]3C2=O)c1 ZINC000101130086 557350919 /nfs/dbraw/zinc/35/09/19/557350919.db2.gz GWDKFFDTNYDZTC-VABKMULXSA-N 0 0 446.528 4.468 40 0 IIABRN CCc1ccccc1N(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000044792241 557351541 /nfs/dbraw/zinc/35/15/41/557351541.db2.gz KUOCEYCDPLHCLG-UHFFFAOYSA-N 0 0 438.549 4.400 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000222561826 557352324 /nfs/dbraw/zinc/35/23/24/557352324.db2.gz RXXTYGRAUAYJCN-JOCHJYFZSA-N 0 0 446.613 4.453 40 0 IIABRN CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000013563356 557353787 /nfs/dbraw/zinc/35/37/87/557353787.db2.gz MPPJUUNAEDUANC-KSZLKVKMSA-N 0 0 446.584 4.248 40 0 IIABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222572677 557354215 /nfs/dbraw/zinc/35/42/15/557354215.db2.gz YJECGNYBGFPBBL-HSZRJFAPSA-N 0 0 438.930 4.408 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222574563 557354766 /nfs/dbraw/zinc/35/47/66/557354766.db2.gz IFDQNOIKQRXBLY-VWLOTQADSA-N 0 0 448.538 4.207 40 0 IIABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1C ZINC000222589761 557357344 /nfs/dbraw/zinc/35/73/44/557357344.db2.gz MQMVOGXWTUCOJN-DEOSSOPVSA-N 0 0 448.538 4.207 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000222603645 557360121 /nfs/dbraw/zinc/36/01/21/557360121.db2.gz YBLHTZQVXQWZSF-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN CCOc1ccccc1N(CCCC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O ZINC000222610864 557361480 /nfs/dbraw/zinc/36/14/80/557361480.db2.gz RUCJMMKPMFUNSN-UHFFFAOYSA-N 0 0 444.475 4.289 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1C ZINC000222619737 557362838 /nfs/dbraw/zinc/36/28/38/557362838.db2.gz CNXOINAHOASZHD-GHTZIAJQSA-N 0 0 449.016 4.376 40 0 IIABRN COc1ccc(C)cc1NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222624754 557364004 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IIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223124781 557435281 /nfs/dbraw/zinc/43/52/81/557435281.db2.gz OPWJXVTUBRKDNX-QHCPKHFHSA-N 0 0 435.955 4.401 40 0 IIABRN Cc1ccc(SCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000014396784 557435287 /nfs/dbraw/zinc/43/52/87/557435287.db2.gz BLXPPTPVRVAQBE-UHFFFAOYSA-N 0 0 434.627 4.067 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000014397579 557435403 /nfs/dbraw/zinc/43/54/03/557435403.db2.gz RPPWGYOZJPQYCO-UHFFFAOYSA-N 0 0 440.540 4.278 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223127935 557435813 /nfs/dbraw/zinc/43/58/13/557435813.db2.gz YCDMKWVVRTVMPZ-RUZDIDTESA-N 0 0 430.548 4.150 40 0 IIABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014398636 557436224 /nfs/dbraw/zinc/43/62/24/557436224.db2.gz IQDCYXGJBPBUCR-KRWDZBQOSA-N 0 0 430.570 4.175 40 0 IIABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223131386 557436403 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4.065 40 0 IIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC000223203132 557445425 /nfs/dbraw/zinc/44/54/25/557445425.db2.gz HGFHACZOINRZGG-IRXDYDNUSA-N 0 0 431.374 4.324 40 0 IIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223203618 557445800 /nfs/dbraw/zinc/44/58/00/557445800.db2.gz AVKRLNFYJINMOW-XMMPIXPASA-N 0 0 433.527 4.133 40 0 IIABRN Cc1ccc(C)c(N(CCCC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 ZINC000014401040 557446138 /nfs/dbraw/zinc/44/61/38/557446138.db2.gz MIRNOFXSDPPDJE-UHFFFAOYSA-N 0 0 426.648 4.032 40 0 IIABRN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnc(N)s2)[C@@H]1c1ccccc1 ZINC000014608065 557448183 /nfs/dbraw/zinc/44/81/83/557448183.db2.gz RUKCLQHKQWYFKD-GOSISDBHSA-N 0 0 436.566 4.339 40 0 IIABRN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc2c(c1)OCO2 ZINC000014671805 557448961 /nfs/dbraw/zinc/44/89/61/557448961.db2.gz RNTCATYEHNAUJP-SHACYNPGSA-N 0 0 436.533 4.289 40 0 IIABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc2c(c1)CCC2 ZINC000223258558 557451824 /nfs/dbraw/zinc/45/18/24/557451824.db2.gz ZKGTVVZTJUHPIP-OXJNMPFZSA-N 0 0 447.000 4.107 40 0 IIABRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2N1C(=O)c1ccccc1 ZINC000223268229 557453345 /nfs/dbraw/zinc/45/33/45/557453345.db2.gz BHMKVEUSYDFHFD-GOSISDBHSA-N 0 0 432.545 4.025 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223268649 557453634 /nfs/dbraw/zinc/45/36/34/557453634.db2.gz SQSBTSBUYJCNOD-DEOSSOPVSA-N 0 0 434.536 4.345 40 0 IIABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223275226 557454749 /nfs/dbraw/zinc/45/47/49/557454749.db2.gz HHKGYJYHXJWBPX-SANMLTNESA-N 0 0 444.575 4.404 40 0 IIABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000223298471 557456791 /nfs/dbraw/zinc/45/67/91/557456791.db2.gz WREZNSIPOVHPEM-GOSISDBHSA-N 0 0 438.549 4.152 40 0 IIABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223320353 557458722 /nfs/dbraw/zinc/45/87/22/557458722.db2.gz ZDDUCPCPFHDFMQ-AREMUKBSSA-N 0 0 446.547 4.153 40 0 IIABRN COc1cc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C(C)C ZINC000223357120 557461836 /nfs/dbraw/zinc/46/18/36/557461836.db2.gz MKIDSPAEPJRWOV-GOSISDBHSA-N 0 0 444.597 4.403 40 0 IIABRN CCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](CC)C(=O)NC)cc1 ZINC000223361231 557462531 /nfs/dbraw/zinc/46/25/31/557462531.db2.gz JVKRMHXLRPFJDN-FQEVSTJZSA-N 0 0 437.367 4.488 40 0 IIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223374325 557463981 /nfs/dbraw/zinc/46/39/81/557463981.db2.gz KGJJOMQFENJZAN-QFIPXVFZSA-N 0 0 428.598 4.099 40 0 IIABRN O=C(COc1ccc2ccccc2c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000015787703 557464084 /nfs/dbraw/zinc/46/40/84/557464084.db2.gz JPQQYYSJWHNXIU-UHFFFAOYSA-N 0 0 436.380 4.263 40 0 IIABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1C(C)C ZINC000223390591 557466012 /nfs/dbraw/zinc/46/60/12/557466012.db2.gz DKBQZCADBLTMBO-CQSZACIVSA-N 0 0 434.583 4.080 40 0 IIABRN Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2cccnc2)c(C)c1 ZINC000015935465 557466860 /nfs/dbraw/zinc/46/68/60/557466860.db2.gz POCUOKKBRWCTLF-QFIPXVFZSA-N 0 0 449.580 4.387 40 0 IIABRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000026417038 557468382 /nfs/dbraw/zinc/46/83/82/557468382.db2.gz DVYRODYWXRCMTH-UHFFFAOYSA-N 0 0 434.483 4.365 40 0 IIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccnc1 ZINC000223452327 557473433 /nfs/dbraw/zinc/47/34/33/557473433.db2.gz LCQSHEZFPFYZJJ-RPWUZVMVSA-N 0 0 440.576 4.452 40 0 IIABRN O=C1N/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000016401443 557473599 /nfs/dbraw/zinc/47/35/99/557473599.db2.gz UWVNFARIJMXPGL-DHDCSXOGSA-N 0 0 436.103 4.305 40 0 IIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)n1-c1cccnc1 ZINC000223454908 557474180 /nfs/dbraw/zinc/47/41/80/557474180.db2.gz SCRUZHVAYYHWMP-GOTSBHOMSA-N 0 0 426.549 4.143 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223460527 557474683 /nfs/dbraw/zinc/47/46/83/557474683.db2.gz RGWWRYKYTOTLTG-GOSISDBHSA-N 0 0 446.588 4.401 40 0 IIABRN COc1ccccc1[C@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223458915 557474696 /nfs/dbraw/zinc/47/46/96/557474696.db2.gz RZFWKRAFARNBNO-SFHVURJKSA-N 0 0 438.549 4.320 40 0 IIABRN CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 ZINC000223462883 557474924 /nfs/dbraw/zinc/47/49/24/557474924.db2.gz ZMBBOTBKQJEFGD-IBGZPJMESA-N 0 0 428.598 4.469 40 0 IIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1 ZINC000223470639 557475555 /nfs/dbraw/zinc/47/55/55/557475555.db2.gz HOGTUGOPTGBDAI-LJQANCHMSA-N 0 0 428.598 4.262 40 0 IIABRN COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 ZINC000223471266 557475875 /nfs/dbraw/zinc/47/58/75/557475875.db2.gz CVWLKDVPCBLRTH-DNQXCXABSA-N 0 0 441.560 4.449 40 0 IIABRN C[C@H](CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000223481529 557477125 /nfs/dbraw/zinc/47/71/25/557477125.db2.gz LHCRINSTUCEEMG-GOSISDBHSA-N 0 0 442.968 4.455 40 0 IIABRN C[C@@H](CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000223481468 557477198 /nfs/dbraw/zinc/47/71/98/557477198.db2.gz LHCRINSTUCEEMG-SFHVURJKSA-N 0 0 442.968 4.455 40 0 IIABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223481936 557477477 /nfs/dbraw/zinc/47/74/77/557477477.db2.gz KALPTLMBNQBJOA-AVRDEDQJSA-N 0 0 432.586 4.042 40 0 IIABRN CC(C)C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000017097331 557478511 /nfs/dbraw/zinc/47/85/11/557478511.db2.gz AUPJBDNQBRXIMH-UHFFFAOYSA-N 0 0 431.005 4.131 40 0 IIABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)n1-c1cccnc1 ZINC000223490590 557478875 /nfs/dbraw/zinc/47/88/75/557478875.db2.gz ZBGMNLTTXYQDHV-XZOQPEGZSA-N 0 0 426.549 4.143 40 0 IIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 ZINC000223498785 557479492 /nfs/dbraw/zinc/47/94/92/557479492.db2.gz NXBUUZILQQVGLG-RUZDIDTESA-N 0 0 432.539 4.453 40 0 IIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1 ZINC000223496297 557479574 /nfs/dbraw/zinc/47/95/74/557479574.db2.gz XQSVCDUKHVJOKY-VWLOTQADSA-N 0 0 448.538 4.289 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223500158 557479710 /nfs/dbraw/zinc/47/97/10/557479710.db2.gz HJUBDGZQLKDPKB-FQEVSTJZSA-N 0 0 426.557 4.024 40 0 IIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223504438 557480155 /nfs/dbraw/zinc/48/01/55/557480155.db2.gz SLYNLWKJERIMBF-NRFANRHFSA-N 0 0 440.584 4.333 40 0 IIABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)nc1 ZINC000223525841 557482192 /nfs/dbraw/zinc/48/21/92/557482192.db2.gz STBFVTASFCVUBI-XZOQPEGZSA-N 0 0 426.549 4.143 40 0 IIABRN COc1cc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc(OC)c1OC ZINC000017099890 557483736 /nfs/dbraw/zinc/48/37/36/557483736.db2.gz RHVXKXLQDBLXER-UHFFFAOYSA-N 0 0 435.977 4.193 40 0 IIABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1Cl ZINC000017100004 557483918 /nfs/dbraw/zinc/48/39/18/557483918.db2.gz HBXOYGPRTSMJLX-UHFFFAOYSA-N 0 0 436.339 4.313 40 0 IIABRN Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223548245 557484373 /nfs/dbraw/zinc/48/43/73/557484373.db2.gz XAYWFSRKERKZGP-DHIUTWEWSA-N 0 0 427.533 4.146 40 0 IIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223551688 557484914 /nfs/dbraw/zinc/48/49/14/557484914.db2.gz CPCARZHDTWPIHP-VWLOTQADSA-N 0 0 431.536 4.277 40 0 IIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 ZINC000223556288 557485363 /nfs/dbraw/zinc/48/53/63/557485363.db2.gz HHMJCPYLYWHQIE-DEOSSOPVSA-N 0 0 431.536 4.133 40 0 IIABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000017095608 557486338 /nfs/dbraw/zinc/48/63/38/557486338.db2.gz MUANREGJRCNXKR-UHFFFAOYSA-N 0 0 427.707 4.001 40 0 IIABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1Cl ZINC000017095712 557486806 /nfs/dbraw/zinc/48/68/06/557486806.db2.gz IJRZOYBHNLDBEA-UHFFFAOYSA-N 0 0 428.322 4.444 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223594351 557490058 /nfs/dbraw/zinc/49/00/58/557490058.db2.gz OUJDQSGPWKEWNT-UHFFFAOYSA-N 0 0 442.512 4.115 40 0 IIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccccc2F)cc1 ZINC000017101363 557490128 /nfs/dbraw/zinc/49/01/28/557490128.db2.gz FTKNKGCEDQPWAT-UHFFFAOYSA-N 0 0 437.496 4.119 40 0 IIABRN CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000017102708 557491319 /nfs/dbraw/zinc/49/13/19/557491319.db2.gz QIHHSZMBBBKSRQ-UHFFFAOYSA-N 0 0 438.597 4.042 40 0 IIABRN COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000017102766 557491491 /nfs/dbraw/zinc/49/14/91/557491491.db2.gz ZXABXALQCRBLFT-UHFFFAOYSA-N 0 0 438.753 4.115 40 0 IIABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCN1CCOCC1 ZINC000118918756 557493399 /nfs/dbraw/zinc/49/33/99/557493399.db2.gz SOVVOZGIBCKCDI-LCJUBJIZSA-N 0 0 431.617 4.232 40 0 IIABRN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)ccc1Cl ZINC000223628809 557493830 /nfs/dbraw/zinc/49/38/30/557493830.db2.gz HEDATOSTFUEWCL-NHCUHLMSSA-N 0 0 426.973 4.189 40 0 IIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)cc1 ZINC000223643448 557495768 /nfs/dbraw/zinc/49/57/68/557495768.db2.gz PAFGHIZQAGMCTK-UHFFFAOYSA-N 0 0 448.595 4.400 40 0 IIABRN CCOC(=O)Cc1csc(NC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)n1 ZINC000018323105 557497229 /nfs/dbraw/zinc/49/72/29/557497229.db2.gz OWZNDTKWJCUTRQ-NFAYLAGKSA-N 0 0 441.391 4.311 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000026765306 557497363 /nfs/dbraw/zinc/49/73/63/557497363.db2.gz FMCXHGISQIDGAP-UHFFFAOYSA-N 0 0 439.375 4.051 40 0 IIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223658729 557498524 /nfs/dbraw/zinc/49/85/24/557498524.db2.gz RGZHKDYHIUPIPG-QHCPKHFHSA-N 0 0 440.584 4.413 40 0 IIABRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000223669620 557499681 /nfs/dbraw/zinc/49/96/81/557499681.db2.gz GQLYVDVFLKZTBQ-UHFFFAOYSA-N 0 0 445.606 4.359 40 0 IIABRN Cc1ccc(N(CC(=O)Nc2ccc3c4c(cccc42)CC3)S(C)(=O)=O)cc1Cl ZINC000223684735 557501776 /nfs/dbraw/zinc/50/17/76/557501776.db2.gz VSCJQRGFXBICJP-UHFFFAOYSA-N 0 0 428.941 4.305 40 0 IIABRN C[C@H](CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000223688191 557502468 /nfs/dbraw/zinc/50/24/68/557502468.db2.gz QWCVUIHAVYOWBX-CYBMUJFWSA-N 0 0 448.894 4.045 40 0 IIABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000223709434 557504642 /nfs/dbraw/zinc/50/46/42/557504642.db2.gz RLGQYANPMCCPFX-UHFFFAOYSA-N 0 0 442.931 4.456 40 0 IIABRN CC(C)c1ccccc1N(CC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O ZINC000223708481 557504680 /nfs/dbraw/zinc/50/46/80/557504680.db2.gz NNULNRHCZQAAOK-UHFFFAOYSA-N 0 0 446.613 4.069 40 0 IIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223712541 557505066 /nfs/dbraw/zinc/50/50/66/557505066.db2.gz QPHGTIMDWIPPCS-KRWDZBQOSA-N 0 0 432.948 4.061 40 0 IIABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000019647319 557505385 /nfs/dbraw/zinc/50/53/85/557505385.db2.gz GYQBTHODBUMJEI-HXUWFJFHSA-N 0 0 448.519 4.211 40 0 IIABRN COCc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000223724110 557506566 /nfs/dbraw/zinc/50/65/66/557506566.db2.gz PSMDZIAECNIMEG-UHFFFAOYSA-N 0 0 442.512 4.115 40 0 IIABRN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000019630924 557506856 /nfs/dbraw/zinc/50/68/56/557506856.db2.gz AGICBKPFCIXAHP-UHFFFAOYSA-N 0 0 439.968 4.452 40 0 IIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 ZINC000223747631 557508653 /nfs/dbraw/zinc/50/86/53/557508653.db2.gz YCWUMYGDYRKGGE-PKTZIBPZSA-N 0 0 427.533 4.453 40 0 IIABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 ZINC000223747724 557508655 /nfs/dbraw/zinc/50/86/55/557508655.db2.gz YCWUMYGDYRKGGE-DHIUTWEWSA-N 0 0 427.533 4.453 40 0 IIABRN CC(C)CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000019828989 557508716 /nfs/dbraw/zinc/50/87/16/557508716.db2.gz 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COc1ccc(C)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020233673 557519243 /nfs/dbraw/zinc/51/92/43/557519243.db2.gz WVWFADUEWULBFB-UHFFFAOYSA-N 0 0 444.940 4.491 40 0 IIABRN CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1cc(Cl)c(Cl)cc1Cl ZINC000223870113 557523311 /nfs/dbraw/zinc/52/33/11/557523311.db2.gz DJQAFIWCMJBWHS-UHFFFAOYSA-N 0 0 425.765 4.029 40 0 IIABRN CCc1ccc(CC)c(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 ZINC000223881538 557524893 /nfs/dbraw/zinc/52/48/93/557524893.db2.gz JDTGKZPBYNYSPZ-UHFFFAOYSA-N 0 0 443.396 4.201 40 0 IIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223890645 557525710 /nfs/dbraw/zinc/52/57/10/557525710.db2.gz JSBSXAPHBIUPGL-MRXNPFEDSA-N 0 0 432.923 4.334 40 0 IIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223890592 557525739 /nfs/dbraw/zinc/52/57/39/557525739.db2.gz JSBSXAPHBIUPGL-INIZCTEOSA-N 0 0 432.923 4.334 40 0 IIABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000223890923 557525741 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4.013 40 0 IIABRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000225728578 557769805 /nfs/dbraw/zinc/76/98/05/557769805.db2.gz CXLAVERMVLWAJQ-UHFFFAOYSA-N 0 0 425.204 4.422 40 0 IIABRN CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000225784233 557777689 /nfs/dbraw/zinc/77/76/89/557777689.db2.gz ORUBIBCJPGVQEB-MRXNPFEDSA-N 0 0 437.005 4.244 40 0 IIABRN O=C(c1ccc2c(c1)OCCO2)N1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 ZINC000225827444 557781952 /nfs/dbraw/zinc/78/19/52/557781952.db2.gz JQPRDXNFNNGGCM-UHFFFAOYSA-N 0 0 447.409 4.117 40 0 IIABRN C[C@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3ccco3)n2)C1 ZINC000225912418 557791324 /nfs/dbraw/zinc/79/13/24/557791324.db2.gz DVIQJPPEPKAMRY-KRWDZBQOSA-N 0 0 428.606 4.173 40 0 IIABRN S=C(NCc1ccco1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCCCCC2)n1 ZINC000225912966 557791638 /nfs/dbraw/zinc/79/16/38/557791638.db2.gz MEZYOQMVVZAEFF-UHFFFAOYSA-N 0 0 448.596 4.457 40 0 IIABRN Cc1ccc(CNC(=S)Nc2nc(N3Cc4ccccc4C3)cc(N3CCCCC3)n2)o1 ZINC000225914872 557791805 /nfs/dbraw/zinc/79/18/05/557791805.db2.gz QNBLCJIQIWFSDJ-UHFFFAOYSA-N 0 0 448.596 4.375 40 0 IIABRN Cc1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000225922400 557792704 /nfs/dbraw/zinc/79/27/04/557792704.db2.gz XXRKWSTURCTIGX-UHFFFAOYSA-N 0 0 443.960 4.022 40 0 IIABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1Cl ZINC000225926200 557793198 /nfs/dbraw/zinc/79/31/98/557793198.db2.gz VXJSLEGTYOGLFE-UHFFFAOYSA-N 0 0 436.961 4.005 40 0 IIABRN CC1CCN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccccc3Cl)n2)CC1 ZINC000225936580 557794577 /nfs/dbraw/zinc/79/45/77/557794577.db2.gz RDIPQSRQOWMYEC-UHFFFAOYSA-N 0 0 445.036 4.453 40 0 IIABRN S=C(NCc1cccnc1)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 ZINC000225941249 557795291 /nfs/dbraw/zinc/79/52/91/557795291.db2.gz BTFAVVOLPBLAQV-UHFFFAOYSA-N 0 0 439.633 4.119 40 0 IIABRN CS(=O)(=O)N[C@@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 ZINC000225946894 557795703 /nfs/dbraw/zinc/79/57/03/557795703.db2.gz MFGCKKTVFDLNSF-QHCPKHFHSA-N 0 0 440.540 4.035 40 0 IIABRN CS(=O)(=O)N[C@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 ZINC000225946909 557795711 /nfs/dbraw/zinc/79/57/11/557795711.db2.gz MFGCKKTVFDLNSF-HSZRJFAPSA-N 0 0 440.540 4.035 40 0 IIABRN C[C@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(F)cc2)n1 ZINC000225947443 557795950 /nfs/dbraw/zinc/79/59/50/557795950.db2.gz UIDRSJJOXUIHCI-KRWDZBQOSA-N 0 0 442.608 4.471 40 0 IIABRN C[C@@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCCCc3ccccc3)n2)C1 ZINC000225964547 557797611 /nfs/dbraw/zinc/79/76/11/557797611.db2.gz XJVHMIBKRJRAEB-LJQANCHMSA-N 0 0 438.645 4.232 40 0 IIABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000225970076 557798063 /nfs/dbraw/zinc/79/80/63/557798063.db2.gz KGTWTOFINUNIIX-SNVBAGLBSA-N 0 0 443.750 4.065 40 0 IIABRN CN(c1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl)S(C)(=O)=O ZINC000225974768 557798337 /nfs/dbraw/zinc/79/83/37/557798337.db2.gz XYGXROJIFSZWRB-UHFFFAOYSA-N 0 0 428.941 4.255 40 0 IIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N(C)c3ccc(F)cc3)cc2)cc1 ZINC000225982912 557798939 /nfs/dbraw/zinc/79/89/39/557798939.db2.gz RJFVXYKTQOKXPY-UHFFFAOYSA-N 0 0 426.513 4.165 40 0 IIABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc21 ZINC000225996228 557799793 /nfs/dbraw/zinc/79/97/93/557799793.db2.gz IUJSLPIZVFVCGY-UHFFFAOYSA-N 0 0 444.556 4.347 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000225999847 557799921 /nfs/dbraw/zinc/79/99/21/557799921.db2.gz TVEJXBBRAYEGGT-UHFFFAOYSA-N 0 0 440.540 4.031 40 0 IIABRN CC1CCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NC3CCCC3)n2)CC1 ZINC000226005873 557800238 /nfs/dbraw/zinc/80/02/38/557800238.db2.gz HOPDTJLEFOEGHJ-UHFFFAOYSA-N 0 0 436.629 4.462 40 0 IIABRN S=C(Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1)NC1CCCCC1 ZINC000226008009 557800375 /nfs/dbraw/zinc/80/03/75/557800375.db2.gz IFIKBDUFMKSBNY-UHFFFAOYSA-N 0 0 429.619 4.027 40 0 IIABRN C[C@H]1Cc2ccccc2N1C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000226008243 557800414 /nfs/dbraw/zinc/80/04/14/557800414.db2.gz OPCBKDZAORSEIW-KRWDZBQOSA-N 0 0 430.545 4.127 40 0 IIABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 ZINC000226053071 557803001 /nfs/dbraw/zinc/80/30/01/557803001.db2.gz JWYATWIHUHDOQT-UHFFFAOYSA-N 0 0 443.594 4.378 40 0 IIABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(F)cc2)cc1 ZINC000033508564 557808892 /nfs/dbraw/zinc/80/88/92/557808892.db2.gz DTSDVUBBSFFLBZ-UHFFFAOYSA-N 0 0 442.512 4.285 40 0 IIABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000059195321 557818531 /nfs/dbraw/zinc/81/85/31/557818531.db2.gz DQLPUWQXHWFJIE-ZHZULCJRSA-N 0 0 439.876 4.452 40 0 IIABRN Cc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCC[C@H](C)C3)n2)o1 ZINC000260715356 557850363 /nfs/dbraw/zinc/85/03/63/557850363.db2.gz NLFHNVBMNGATSQ-INIZCTEOSA-N 0 0 428.606 4.091 40 0 IIABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(C)c(C)c3)C2)c(C)c1 ZINC000260749151 557852238 /nfs/dbraw/zinc/85/22/38/557852238.db2.gz TVACBGBBWKRHAY-NRFANRHFSA-N 0 0 428.598 4.292 40 0 IIABRN COc1cccc(N(CCCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c1 ZINC000260767756 557854137 /nfs/dbraw/zinc/85/41/37/557854137.db2.gz OXIGGKNNLCRTTB-LJQANCHMSA-N 0 0 446.613 4.114 40 0 IIABRN CC[C@@H](NC(=O)[C@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000260808039 557858119 /nfs/dbraw/zinc/85/81/19/557858119.db2.gz DZZYYBKZBILWEF-YADHBBJMSA-N 0 0 446.613 4.433 40 0 IIABRN CCc1ccc(N(CCCC(=O)N[C@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 ZINC000260839135 557859116 /nfs/dbraw/zinc/85/91/16/557859116.db2.gz IYVCNDHFXYLWDX-JOCHJYFZSA-N 0 0 446.613 4.380 40 0 IIABRN CC(C)(O)CCc1c(=O)c2c(O)cc3c(c2oc1-c1ccc(O)cc1O)C=CC(C)(C)O3 ZINC000013125764 562984824 /nfs/dbraw/zinc/98/48/24/562984824.db2.gz AFOKZNPZDXHDHD-UHFFFAOYSA-N 0 0 438.476 4.465 40 0 endogenous,in-man IIABRN CN(C(=O)c1cc(-c2ccccc2Cl)on1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585271610 568616789 /nfs/dbraw/zinc/61/67/89/568616789.db2.gz AZNGANAJTWOTPX-KCZVDYSFSA-N 0 0 426.900 4.428 40 0 IIABRN Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1 ZINC000260888242 568627056 /nfs/dbraw/zinc/62/70/56/568627056.db2.gz ABJPLHLXZILAQZ-DHLKQENFSA-N 0 0 448.588 4.302 40 0 IIABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000260902733 568628551 /nfs/dbraw/zinc/62/85/51/568628551.db2.gz VIRUEYIXKDFWAB-LJQANCHMSA-N 0 0 429.586 4.087 40 0 IIABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000260922546 568629867 /nfs/dbraw/zinc/62/98/67/568629867.db2.gz HJIAAVQFANLHAP-DYESRHJHSA-N 0 0 434.989 4.296 40 0 IIABRN C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000260926545 568630468 /nfs/dbraw/zinc/63/04/68/568630468.db2.gz JAPBGBRGKPPPTN-OPAMFIHVSA-N 0 0 447.000 4.249 40 0 IIABRN C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)C1 ZINC000257197526 568664865 /nfs/dbraw/zinc/66/48/65/568664865.db2.gz CBALBWOTUMDPJG-SZPZYZBQSA-N 0 0 435.612 4.182 40 0 IIABRN CC(C)CC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1 ZINC000257202322 568666111 /nfs/dbraw/zinc/66/61/11/568666111.db2.gz ALHBEFMAJWZGTL-MXVIHJGJSA-N 0 0 437.584 4.143 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)on1 ZINC000257203115 568666816 /nfs/dbraw/zinc/66/68/16/568666816.db2.gz AOSYWPPWLMTHIB-OAQYLSRUSA-N 0 0 449.486 4.469 40 0 IIABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257207635 568668672 /nfs/dbraw/zinc/66/86/72/568668672.db2.gz BIOJRFVHCWLOFG-NRFANRHFSA-N 0 0 441.510 4.412 40 0 IIABRN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCCn2c(C)nc3ccccc32)n1 ZINC000257208677 568669069 /nfs/dbraw/zinc/66/90/69/568669069.db2.gz BNDSRMALSFVXLB-QHCPKHFHSA-N 0 0 428.540 4.378 40 0 IIABRN Cc1c2cccc(C)c2oc1C(=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000257209256 568669294 /nfs/dbraw/zinc/66/92/94/568669294.db2.gz BPQOVKSOBPBSBQ-FQEVSTJZSA-N 0 0 429.480 4.192 40 0 IIABRN O=C(NCc1ccc2c(c1)OCO2)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257209211 568669449 /nfs/dbraw/zinc/66/94/49/568669449.db2.gz BPKRARUELMYESP-UHFFFAOYSA-N 0 0 430.504 4.133 40 0 IIABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccc3oc(C)cc3c2)CC1 ZINC000257213774 568671295 /nfs/dbraw/zinc/67/12/95/568671295.db2.gz CJAPDFSVSMTNIO-FKCDAAJZSA-N 0 0 448.563 4.191 40 0 IIABRN COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cn5c(cccc5C)n4)C3)o2)c1 ZINC000257216028 568672596 /nfs/dbraw/zinc/67/25/96/568672596.db2.gz CSUMTJGADDCRPH-LJQANCHMSA-N 0 0 430.508 4.250 40 0 IIABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC2(CO[C@H](Cc3cccc(Cl)c3)C2)CC1 ZINC000257217793 568673044 /nfs/dbraw/zinc/67/30/44/568673044.db2.gz DAPWPXQYSLKHDA-OAQYLSRUSA-N 0 0 448.954 4.446 40 0 IIABRN CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccccn2)CC1 ZINC000257224792 568676289 /nfs/dbraw/zinc/67/62/89/568676289.db2.gz FDJMJCRNTITHKS-UHFFFAOYSA-N 0 0 433.577 4.411 40 0 IIABRN CCc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H]3[C@@H](O)CC(C)(C)O[C@H]3CC2)no1 ZINC000257228822 568678385 /nfs/dbraw/zinc/67/83/85/568678385.db2.gz FVJXUJKNUJIEPP-AXJZPPOTSA-N 0 0 426.557 4.023 40 0 IIABRN O=C(CN1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1)N1CCCCC1 ZINC000257229089 568678557 /nfs/dbraw/zinc/67/85/57/568678557.db2.gz FWQKTCDYKCQNMU-QFIPXVFZSA-N 0 0 447.501 4.077 40 0 IIABRN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(C(C)C)nn1C ZINC000257230958 568679392 /nfs/dbraw/zinc/67/93/92/568679392.db2.gz GEPKQYIFADHGKQ-VPYYATKVSA-N 0 0 448.611 4.159 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@@H]3CN(Cc4cn(C)c5ccccc45)CCO3)nc2)n1 ZINC000257233044 568680283 /nfs/dbraw/zinc/68/02/83/568680283.db2.gz GNMJZITUGZNBFD-DEOSSOPVSA-N 0 0 428.540 4.297 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 ZINC000257249074 568688081 /nfs/dbraw/zinc/68/80/81/568688081.db2.gz JGQWWQVLEFPZQI-QFIPXVFZSA-N 0 0 448.611 4.034 40 0 IIABRN COCc1ccc(OC)c(CN2CCO[C@@H](c3cccc(Nc4cccc(C)n4)n3)C2)c1 ZINC000257249285 568688114 /nfs/dbraw/zinc/68/81/14/568688114.db2.gz JHOCMDFKLLGBJF-HSZRJFAPSA-N 0 0 434.540 4.257 40 0 IIABRN Cc1cc(N2CCO[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)nc(C)n1 ZINC000257251217 568689222 /nfs/dbraw/zinc/68/92/22/568689222.db2.gz JPWUWBULCVUYEB-HXUWFJFHSA-N 0 0 447.461 4.035 40 0 IIABRN Cc1cnc(Nc2cc(C3CCN(C(=O)Cn4cnc5ccccc54)CC3)nc(C)n2)s1 ZINC000257252964 568689843 /nfs/dbraw/zinc/68/98/43/568689843.db2.gz JWXNZALIDYIRGC-UHFFFAOYSA-N 0 0 447.568 4.049 40 0 IIABRN O=C(CN1CCCCCC1=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257254921 568690688 /nfs/dbraw/zinc/69/06/88/568690688.db2.gz KFFUHMMPAGHMEM-GOSISDBHSA-N 0 0 429.948 4.027 40 0 IIABRN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc(CC(C)C)nn4C)C3)o2)cc1 ZINC000257261626 568693909 /nfs/dbraw/zinc/69/39/09/568693909.db2.gz LIDUKVGRZUJQAO-LJQANCHMSA-N 0 0 436.556 4.226 40 0 IIABRN CC(C)CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3cnn(C)c3)CC2)nc2ccccc21 ZINC000257267444 568696495 /nfs/dbraw/zinc/69/64/95/568696495.db2.gz MHIXDWMOOIUUCN-WGSAOQKQSA-N 0 0 447.583 4.058 40 0 IIABRN Cc1cc(C)n(CCCC(=O)N2CC3(C2)CO[C@@H]2c4ccc(C)cc4OC(C)(C)[C@H]2C3)n1 ZINC000257276051 568700335 /nfs/dbraw/zinc/70/03/35/568700335.db2.gz NSEHCCRFJZBUBN-XUZZJYLKSA-N 0 0 437.584 4.366 40 0 IIABRN Cc1nccn1CCCC(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257281755 568703033 /nfs/dbraw/zinc/70/30/33/568703033.db2.gz OQVYDFAEXGGAEW-HSZRJFAPSA-N 0 0 438.959 4.211 40 0 IIABRN Cc1noc(C)c1CC(=O)N1CCO[C@]2(CO[C@@H](c3ccc(F)cc3)[C@H](C(C)C)C2)C1 ZINC000257282960 568703678 /nfs/dbraw/zinc/70/36/78/568703678.db2.gz OWAVQUBJRZYWCW-XWGVYQGASA-N 0 0 430.520 4.004 40 0 IIABRN CN(C)c1ncc(-c2ccc(C(C)(C)C)cc2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC000257287970 568705926 /nfs/dbraw/zinc/70/59/26/568705926.db2.gz PSGHDSCRGWIFIP-HXUWFJFHSA-N 0 0 446.599 4.110 40 0 IIABRN COc1ccccc1CN1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC(C)C)c(C)n2n1 ZINC000257290386 568706674 /nfs/dbraw/zinc/70/66/74/568706674.db2.gz QCTVHGAHRGSFCC-QHCPKHFHSA-N 0 0 449.599 4.149 40 0 IIABRN CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3c3ncc(Cc4ccc(F)cc4)o3)on2)cn1 ZINC000257289981 568706885 /nfs/dbraw/zinc/70/68/85/568706885.db2.gz QAZULSLJDWMCJH-HXUWFJFHSA-N 0 0 435.459 4.253 40 0 IIABRN Cc1ccc(F)c(NC(=O)CN2CCC(c3cncc(Nc4ccc(F)cn4)n3)CC2)c1 ZINC000257295251 568709016 /nfs/dbraw/zinc/70/90/16/568709016.db2.gz QXOXVRITSHZQKT-UHFFFAOYSA-N 0 0 438.482 4.020 40 0 IIABRN CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2ccccn2)CC1 ZINC000257298139 568710243 /nfs/dbraw/zinc/71/02/43/568710243.db2.gz RKJNUEDMGMBBLC-UHFFFAOYSA-N 0 0 442.563 4.133 40 0 IIABRN COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)c2ccc3ccccc3n2)cc1 ZINC000257300132 568711393 /nfs/dbraw/zinc/71/13/93/568711393.db2.gz RTAKSSMLISHUSY-DCEDVJGZSA-N 0 0 443.547 4.128 40 0 IIABRN Cc1cc2ccccc2n1CCC(=O)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257301636 568711807 /nfs/dbraw/zinc/71/18/07/568711807.db2.gz RZFBQXPZNSMRRY-DEOSSOPVSA-N 0 0 441.535 4.474 40 0 IIABRN Cc1ccc(C(C)(C)C(=O)N2CCO[C@H](c3cc(Nc4nncs4)cc(C)n3)C2)cc1 ZINC000257303456 568712614 /nfs/dbraw/zinc/71/26/14/568712614.db2.gz SHIFUMRNFMYGGT-FQEVSTJZSA-N 0 0 437.569 4.171 40 0 IIABRN CCOCc1ccc(C(=O)N2CCC(c3cc(Nc4cnccn4)cc(C)[nH+]3)CC2)cc1 ZINC000257307552 568714458 /nfs/dbraw/zinc/71/44/58/568714458.db2.gz SZEUXAMZYZYPAG-UHFFFAOYSA-N 0 0 431.540 4.480 40 0 IIABRN CCc1nnc(Nc2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257311556 568715881 /nfs/dbraw/zinc/71/58/81/568715881.db2.gz UKAIRWXAEDIEEY-FQEVSTJZSA-N 0 0 432.553 4.361 40 0 IIABRN O=C(N1CCC2(C[C@@H](Oc3ccc(F)cc3)CO2)CC1)C1(c2ccccc2)CCOCC1 ZINC000257312860 568716825 /nfs/dbraw/zinc/71/68/25/568716825.db2.gz UPWBDXCXUYEGLZ-HSZRJFAPSA-N 0 0 439.527 4.103 40 0 IIABRN Cc1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)sc2ncn(C)c(=O)c12 ZINC000257319878 568719956 /nfs/dbraw/zinc/71/99/56/568719956.db2.gz VUKUHHXQOHKQHI-GOSISDBHSA-N 0 0 448.548 4.250 40 0 IIABRN CC(=O)Nc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)s1 ZINC000257324025 568721870 /nfs/dbraw/zinc/72/18/70/568721870.db2.gz WMVVMNVIDNEQNM-INIZCTEOSA-N 0 0 442.516 4.148 40 0 IIABRN Cc1cc(Nc2cccc([C@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)nn1C ZINC000257328804 568723837 /nfs/dbraw/zinc/72/38/37/568723837.db2.gz XHEJEWGAEJGRKY-HXUWFJFHSA-N 0 0 439.947 4.053 40 0 IIABRN O=C(c1ccc(-c2cncnc2)nc1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000257336226 568726946 /nfs/dbraw/zinc/72/69/46/568726946.db2.gz YNPFFHAFKZCRHH-LJQANCHMSA-N 0 0 438.491 4.141 40 0 IIABRN Cc1cc(C(F)F)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 ZINC000257336289 568727040 /nfs/dbraw/zinc/72/70/40/568727040.db2.gz YNTXSMUWGQDGFF-MRXNPFEDSA-N 0 0 432.446 4.253 40 0 IIABRN O=C(N1CCOC[C@H](Cc2cccc3cccnc32)C1)C1(c2ccccc2)CCOCC1 ZINC000257336579 568727222 /nfs/dbraw/zinc/72/72/22/568727222.db2.gz YPBMZNXQXNYOEY-OAQYLSRUSA-N 0 0 430.548 4.001 40 0 IIABRN Cc1cc(Nc2cccc([C@@H]3CN(C(=O)c4[nH]c5ccc(F)cc5c4C)CCO3)n2)nn1C ZINC000257338468 568728009 /nfs/dbraw/zinc/72/80/09/568728009.db2.gz YXMZKPOTJRGDBZ-FQEVSTJZSA-N 0 0 448.502 4.010 40 0 IIABRN Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)c3nccc4ccccc43)CCO2)n1 ZINC000257339678 568728430 /nfs/dbraw/zinc/72/84/30/568728430.db2.gz ZCTHIUAALUCHHK-JOCHJYFZSA-N 0 0 425.492 4.291 40 0 IIABRN CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ocnc2C)CC1 ZINC000257339544 568728442 /nfs/dbraw/zinc/72/84/42/568728442.db2.gz ZCEQVWJBUIFTLM-UHFFFAOYSA-N 0 0 446.551 4.036 40 0 IIABRN COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)C4(c5cc(C)cc(C)c5)CCOCC4)C[C@@H]32)cc1 ZINC000257342430 568729595 /nfs/dbraw/zinc/72/95/95/568729595.db2.gz ZOORHAWWNJUEGD-ZNFSXRAMSA-N 0 0 449.591 4.116 40 0 IIABRN Cc1cnc(Nc2cc([C@@H]3CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)nc(C)n2)s1 ZINC000257343691 568730247 /nfs/dbraw/zinc/73/02/47/568730247.db2.gz ZUAWLDAXOVIIAE-OAHLLOKOSA-N 0 0 433.541 4.108 40 0 IIABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(F)cc1 ZINC000261364154 568733485 /nfs/dbraw/zinc/73/34/85/568733485.db2.gz JNTNHOCHMXLWEX-QFIPXVFZSA-O 0 0 439.536 4.472 40 0 IIABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(F)c1 ZINC000261365344 568733499 /nfs/dbraw/zinc/73/34/99/568733499.db2.gz RNIYYPUDSGRFBR-JOCHJYFZSA-O 0 0 439.536 4.472 40 0 IIABRN Cc1cc(C)cc(-n2c3nnc(SC[C@H](O)c4ccccc4)n3c3ccccc3c2=O)c1 ZINC000015243802 568737289 /nfs/dbraw/zinc/73/72/89/568737289.db2.gz ZRCCRKMNOKAOOJ-QFIPXVFZSA-N 0 0 442.544 4.476 40 0 IIABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)c(OCc3ccccc3)c2)NC(=O)N1 ZINC000026780274 568738952 /nfs/dbraw/zinc/73/89/52/568738952.db2.gz KGMNYANHVACSFL-HSZRJFAPSA-N 0 0 429.476 4.238 40 0 IIABRN CCOC[C@@]1(C(N)=S)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218635673 568762159 /nfs/dbraw/zinc/76/21/59/568762159.db2.gz UBSFPNSSHUMQMK-JENIJYKNSA-N 0 0 444.405 4.242 40 0 IIABRN COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)c4ccoc4C)C3)nn2c1 ZINC000306132163 568767086 /nfs/dbraw/zinc/76/70/86/568767086.db2.gz LAOGBNOKFFSPQU-QGZVFWFLSA-N 0 0 434.471 4.465 40 0 IIABRN COc1cccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(c4ncccn4)CC3)C2)c1 ZINC000306132349 568767111 /nfs/dbraw/zinc/76/71/11/568767111.db2.gz LGEDMAIMXHOFEM-UHFFFAOYSA-N 0 0 446.599 4.125 40 0 IIABRN CC(C)n1cc(CN2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306133131 568767707 /nfs/dbraw/zinc/76/77/07/568767707.db2.gz MCTTWNPNSZYBPD-JTHBVZDNSA-N 0 0 425.529 4.025 40 0 IIABRN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5ccoc5)C4)nn3c2)c1OC ZINC000306133790 568768270 /nfs/dbraw/zinc/76/82/70/568768270.db2.gz MWKPKPFXATUBHH-QGZVFWFLSA-N 0 0 432.480 4.026 40 0 IIABRN C[C@@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000328974815 568808251 /nfs/dbraw/zinc/80/82/51/568808251.db2.gz FGTCTXPIZXGGJT-LBPRGKRZSA-N 0 0 438.837 4.076 40 0 IIABRN CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)n1 ZINC000329049035 568810293 /nfs/dbraw/zinc/81/02/93/568810293.db2.gz UMIPFFZFVRKCTG-GOSISDBHSA-N 0 0 436.478 4.244 40 0 IIABRN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1ccccc1Cl ZINC000101471213 568843961 /nfs/dbraw/zinc/84/39/61/568843961.db2.gz VVJOFZYHVPYVJR-NCYKPQTJSA-N 0 0 434.923 4.207 40 0 IIABRN Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000003468404 568859980 /nfs/dbraw/zinc/85/99/80/568859980.db2.gz NFQVVBATLSKPBT-UHFFFAOYSA-N 0 0 426.304 4.144 40 0 IIABRN CCOc1cc(C(=O)OC)cc(I)c1OCc1cccc(F)c1 ZINC000216834328 568862053 /nfs/dbraw/zinc/86/20/53/568862053.db2.gz PZAQBQUQSYUJCD-UHFFFAOYSA-N 0 0 430.213 4.195 40 0 IIABRN COc1cc2nn(-c3ccc(Br)c(C)c3C)nc2c(Br)c1N ZINC000575414840 568862467 /nfs/dbraw/zinc/86/24/67/568862467.db2.gz ZXLWEALBSLCEEJ-UHFFFAOYSA-N 0 0 426.112 4.153 40 0 IIABRN Nc1c(Cl)cc2nn(-c3cccc(I)c3)nc2c1Br ZINC000216872209 568863118 /nfs/dbraw/zinc/86/31/18/568863118.db2.gz AZNYXOVGTKSCGO-UHFFFAOYSA-N 0 0 449.477 4.023 40 0 IIABRN O=S(=O)(c1ccc(C2CCCCC2)cc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000575421507 568863519 /nfs/dbraw/zinc/86/35/19/568863519.db2.gz JUKKIQWTQPSECZ-NRFANRHFSA-N 0 0 431.579 4.240 40 0 IIABRN O=C(/C=C/c1ccc(Br)o1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000017043963 568894301 /nfs/dbraw/zinc/89/43/01/568894301.db2.gz ZQSIGALCBLBCMD-DUXPYHPUSA-N 0 0 449.614 4.087 40 0 IIABRN COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000000923080 568897962 /nfs/dbraw/zinc/89/79/62/568897962.db2.gz TTXWTZMUVNMNBC-UHFFFAOYSA-N 0 0 448.544 4.236 40 0 IIABRN Cc1cc(C)cc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000101159961 568900220 /nfs/dbraw/zinc/90/02/20/568900220.db2.gz NDQRZGPJARJPKJ-QGZVFWFLSA-N 0 0 447.354 4.070 40 0 IIABRN CCCCOc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 ZINC000224258498 568916798 /nfs/dbraw/zinc/91/67/98/568916798.db2.gz UXSOKEYECLGQRV-UHFFFAOYSA-N 0 0 431.540 4.234 40 0 IIABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)N1CCN(c2c(N)cccc2Cl)CC1 ZINC000057332212 568930208 /nfs/dbraw/zinc/93/02/08/568930208.db2.gz JLJXNBUFWKPFBF-UHFFFAOYSA-N 0 0 428.747 4.265 40 0 IIABRN Cc1ccc(OCCOCCOc2ccc(Cl)cc2/C=C2/SC(=N)NC2=O)cc1 ZINC000006812438 569000669 /nfs/dbraw/zinc/00/06/69/569000669.db2.gz JMCRSTKNJVAIDQ-CPNJWEJPSA-N 0 0 432.929 4.261 40 0 IIABRN O=C(Cn1nc(COc2ccccc2)n(Cc2ccccc2)c1=S)NCc1ccccc1 ZINC000016768569 569161567 /nfs/dbraw/zinc/16/15/67/569161567.db2.gz PYNFRLUYBLDPPC-UHFFFAOYSA-N 0 0 444.560 4.358 40 0 IIABRN CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccco3)c(C(=O)OC)c2C)cc1 ZINC000000872071 569180491 /nfs/dbraw/zinc/18/04/91/569180491.db2.gz LSPSEXPCTBCEFP-UHFFFAOYSA-N 0 0 428.466 4.339 40 0 IIABRN O=c1c(Nc2ccccc2C(F)(F)F)cc(S(=O)(=O)c2ccccc2)c2n1CCC2 ZINC000026896886 569189498 /nfs/dbraw/zinc/18/94/98/569189498.db2.gz XWIQMUIPMXTCFK-UHFFFAOYSA-N 0 0 434.439 4.390 40 0 IIABRN C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000245230217 569205370 /nfs/dbraw/zinc/20/53/70/569205370.db2.gz NLJIXEORZMKGGA-GUDVDZBRSA-N 0 0 442.629 4.319 40 0 IIABRN CCCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 ZINC000009974795 569220649 /nfs/dbraw/zinc/22/06/49/569220649.db2.gz WFETYFHKZFLRHO-HXUWFJFHSA-N 0 0 444.597 4.386 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C)C2)cc1Cl ZINC000009974648 569220727 /nfs/dbraw/zinc/22/07/27/569220727.db2.gz XBUXUSAJZCLGAJ-INIZCTEOSA-N 0 0 436.961 4.005 40 0 IIABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1Cl ZINC000009974659 569220729 /nfs/dbraw/zinc/22/07/29/569220729.db2.gz PLBXPJCZTVPGAV-ZDUSSCGKSA-N 0 0 443.352 4.041 40 0 IIABRN COc1ccc(Cl)cc1N(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000010285345 569222037 /nfs/dbraw/zinc/22/20/37/569222037.db2.gz XTEDKTOGLWRFCI-UHFFFAOYSA-N 0 0 444.940 4.207 40 0 IIABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)S(C)(=O)=O)c1 ZINC000010313822 569222398 /nfs/dbraw/zinc/22/23/98/569222398.db2.gz WCTQAGGERLCCDJ-UHFFFAOYSA-N 0 0 430.476 4.492 40 0 IIABRN Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000010315310 569222766 /nfs/dbraw/zinc/22/27/66/569222766.db2.gz PDVFGMAPBIGTMH-UHFFFAOYSA-N 0 0 447.409 4.337 40 0 IIABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010334994 569223534 /nfs/dbraw/zinc/22/35/34/569223534.db2.gz CKLQXEMHRBIGJW-UHFFFAOYSA-N 0 0 438.505 4.225 40 0 IIABRN CC(=O)c1cccc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000010360653 569223752 /nfs/dbraw/zinc/22/37/52/569223752.db2.gz IVGULEZJNCWKNX-UHFFFAOYSA-N 0 0 436.533 4.416 40 0 IIABRN Cc1ccc(CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000010730511 569224633 /nfs/dbraw/zinc/22/46/33/569224633.db2.gz UHPUQDUCOVBDSK-UHFFFAOYSA-N 0 0 429.549 4.355 40 0 IIABRN COc1ccccc1-c1ccc(C[C@]2(C(=O)NC(C)C)CCN(C(=O)[C@@H]3C[C@@H]3C)C2)cc1 ZINC000019462682 569226698 /nfs/dbraw/zinc/22/66/98/569226698.db2.gz FNIJIPYBEGKSCH-AVHWCYKHSA-N 0 0 434.580 4.304 40 0 IIABRN O=C(COc1ccc(F)cc1F)N1CCO[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000019693462 569228839 /nfs/dbraw/zinc/22/88/39/569228839.db2.gz LFPCIVNGVZFOCZ-LJQANCHMSA-N 0 0 445.853 4.054 40 0 IIABRN Cn1cc(CN2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c2cc(F)ccc21 ZINC000019693642 569229157 /nfs/dbraw/zinc/22/91/57/569229157.db2.gz NAVATDWFQUVRGM-RUZDIDTESA-N 0 0 444.510 4.052 40 0 IIABRN Cc1nc([C@@H]2CCN(C(=O)C3CCCCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019695951 569229626 /nfs/dbraw/zinc/22/96/26/569229626.db2.gz AMRBQQARROUKKB-OAQYLSRUSA-N 0 0 432.568 4.161 40 0 IIABRN CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)C2(c3ccccc3)CCCC2)CCO1 ZINC000019702665 569232231 /nfs/dbraw/zinc/23/22/31/569232231.db2.gz CDYNDNRUAHVPIR-LJQANCHMSA-N 0 0 449.576 4.068 40 0 IIABRN O=C(c1ccc2c(c1)OCCO2)N1CC[C@@H](c2cc(COc3ccccc3Cl)n[nH]2)C1 ZINC000019705226 569234103 /nfs/dbraw/zinc/23/41/03/569234103.db2.gz GADNJIMJDPCVDP-MRXNPFEDSA-N 0 0 439.899 4.043 40 0 IIABRN C[C@@]12CCN(C(=O)c3cccc(-n4cccn4)c3)[C@@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713435 569235654 /nfs/dbraw/zinc/23/56/54/569235654.db2.gz QVCSRJPNRSDZGG-SHQCIBLASA-N 0 0 442.563 4.448 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2cc3cc(C)ccc3n2C)nc1C ZINC000019765543 569238895 /nfs/dbraw/zinc/23/88/95/569238895.db2.gz RVJKQICRGWBUNR-JOCHJYFZSA-N 0 0 447.583 4.435 40 0 IIABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)Cn2c(C)cc3ccccc32)nc1C ZINC000019765536 569238955 /nfs/dbraw/zinc/23/89/55/569238955.db2.gz GAKCLSDDHGKHCY-QHCPKHFHSA-N 0 0 447.583 4.284 40 0 IIABRN Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1N1CCCCC1 ZINC000019765608 569238959 /nfs/dbraw/zinc/23/89/59/569238959.db2.gz WGIDPHCEWFGZNK-QFIPXVFZSA-N 0 0 449.599 4.153 40 0 IIABRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(C)C ZINC000021270670 569241605 /nfs/dbraw/zinc/24/16/05/569241605.db2.gz UNJVWJMGUCXOGE-UNOMPAQXSA-N 0 0 442.562 4.276 40 0 IIABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1C ZINC000022028397 569241729 /nfs/dbraw/zinc/24/17/29/569241729.db2.gz BHFHXGVOVHOFBW-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN CSc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000026116816 569242281 /nfs/dbraw/zinc/24/22/81/569242281.db2.gz URBHPKPDYYQFKK-GOSISDBHSA-N 0 0 446.638 4.334 40 0 IIABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000033552803 569244522 /nfs/dbraw/zinc/24/45/22/569244522.db2.gz UHYMIMDRMIKECJ-UHFFFAOYSA-N 0 0 444.940 4.144 40 0 IIABRN O=C(CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)N1CCc2ccccc2C1 ZINC000033590972 569244828 /nfs/dbraw/zinc/24/48/28/569244828.db2.gz PZLUTKVAFMWBQC-HMAPJEAMSA-N 0 0 428.513 4.461 40 0 IIABRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(C)c4)c3)nn12 ZINC000033591503 569244863 /nfs/dbraw/zinc/24/48/63/569244863.db2.gz KSWCEFKIJZGAAI-UHFFFAOYSA-N 0 0 436.566 4.159 40 0 IIABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl ZINC000033653888 569245389 /nfs/dbraw/zinc/24/53/89/569245389.db2.gz FMRXVANWQGKUEI-UHFFFAOYSA-N 0 0 431.341 4.006 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl ZINC000033698001 569245853 /nfs/dbraw/zinc/24/58/53/569245853.db2.gz AFFMYNVBCKARCW-UHFFFAOYSA-N 0 0 443.352 4.104 40 0 IIABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 ZINC000033706714 569245988 /nfs/dbraw/zinc/24/59/88/569245988.db2.gz AJKOCCWGDZNMBW-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000033748397 569246496 /nfs/dbraw/zinc/24/64/96/569246496.db2.gz KKSLNWQJOSXGSG-UHFFFAOYSA-N 0 0 446.912 4.167 40 0 IIABRN CCNC(=O)c1cc(I)c(OCc2ccccc2)c(OCC)c1 ZINC000033783740 569246833 /nfs/dbraw/zinc/24/68/33/569246833.db2.gz VNYXXTOMVKMZLS-UHFFFAOYSA-N 0 0 425.266 4.019 40 0 IIABRN CCOc1c(Br)cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000034707548 569247336 /nfs/dbraw/zinc/24/73/36/569247336.db2.gz HDZVGQHWPHBZOL-UHFFFAOYSA-N 0 0 449.414 4.350 40 0 IIABRN CCOC(=O)Cn1cc(/C=C2\NC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000039556573 569249150 /nfs/dbraw/zinc/24/91/50/569249150.db2.gz ZYKYYLXHGDKKFX-NDENLUEZSA-N 0 0 433.533 4.083 40 0 IIABRN Cc1cc(C)cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)c1 ZINC000105942391 569250267 /nfs/dbraw/zinc/25/02/67/569250267.db2.gz UZCKKQSJFZYJML-UHFFFAOYSA-N 0 0 433.331 4.287 40 0 IIABRN Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000107776698 569251202 /nfs/dbraw/zinc/25/12/02/569251202.db2.gz YOXNKMJEUJIZIE-UHFFFAOYSA-N 0 0 438.549 4.108 40 0 IIABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 ZINC000108210804 569252648 /nfs/dbraw/zinc/25/26/48/569252648.db2.gz YVBHHXKLHWSTMS-ZDLGFXPLSA-N 0 0 432.448 4.429 40 0 IIABRN O=c1/c(=C/c2cccs2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000197908250 569255423 /nfs/dbraw/zinc/25/54/23/569255423.db2.gz MMJUMYXAZWEDMQ-FQWPPLDYSA-N 0 0 426.566 4.380 40 0 IIABRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O)N1CCCC1 ZINC000205856609 569255717 /nfs/dbraw/zinc/25/57/17/569255717.db2.gz GPRKPLDNFPBSDF-DEDYPNTBSA-N 0 0 440.496 4.063 40 0 IIABRN CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000215236104 569256398 /nfs/dbraw/zinc/25/63/98/569256398.db2.gz VEWXXMZQUNZEFS-NGYBGAFCSA-N 0 0 431.853 4.231 40 0 IIABRN Cc1ccc(C(=O)C2=C3C(O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCCN23)cc1 ZINC000009510595 569297046 /nfs/dbraw/zinc/29/70/46/569297046.db2.gz UZPHINACJLIIRP-DLVXIWMQSA-N 0 0 443.330 4.137 40 0 IIABRN Cc1cccc(-n2c3nnc(SC[C@@H](O)c4ccccc4)n3c3ccccc3c2=O)c1C ZINC000011763260 569302982 /nfs/dbraw/zinc/30/29/82/569302982.db2.gz DMSSTFALIGQUGB-JOCHJYFZSA-N 0 0 442.544 4.476 40 0 IIABRN CCN(C(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 ZINC000019712026 569327686 /nfs/dbraw/zinc/32/76/86/569327686.db2.gz ALBAWENFGDQZAN-LOSJGSFVSA-N 0 0 444.535 4.484 40 0 IIABRN Cc1nc([C@H]2CCCCN2C(=O)Cc2cccc(F)c2)ncc1C(=O)NCc1ccccc1 ZINC000019764336 569328855 /nfs/dbraw/zinc/32/88/55/569328855.db2.gz MRXFUTHHHHELFT-HSZRJFAPSA-N 0 0 446.526 4.150 40 0 IIABRN CCCC1=C(C(=O)OCC)S[C@@]2(SC(C(=O)OCC)=NN2c2cccc(C)c2)N1C ZINC000096191962 569386216 /nfs/dbraw/zinc/38/62/16/569386216.db2.gz NPGJKLLDYRYNMY-OAQYLSRUSA-N 0 0 449.598 4.290 40 0 IIABRN Cc1c2ccccc2oc1-c1nnc2sc(CCCN3C(=O)c4ccccc4C3=O)nn21 ZINC000096194429 569386283 /nfs/dbraw/zinc/38/62/83/569386283.db2.gz MTAFDMXBXYNLAR-UHFFFAOYSA-N 0 0 443.488 4.136 40 0 IIABRN Cc1ccc(CNC(=O)CSc2nnc(-n3cccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000028534733 569410802 /nfs/dbraw/zinc/41/08/02/569410802.db2.gz XSHLJZBYRZDIHI-UHFFFAOYSA-N 0 0 437.956 4.428 40 0 IIABRN COc1cccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-n2cccc2)c1 ZINC000028534806 569410975 /nfs/dbraw/zinc/41/09/75/569410975.db2.gz RZCUQSUGFXHYKN-UHFFFAOYSA-N 0 0 433.537 4.414 40 0 IIABRN O=C(COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21)N1CCCC1 ZINC000028616782 569414771 /nfs/dbraw/zinc/41/47/71/569414771.db2.gz RZVCNXVRYCBTNS-UHFFFAOYSA-N 0 0 442.610 4.407 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)COc2cc(C)nc3ccc(Br)cc32)cc1 ZINC000227149119 569431580 /nfs/dbraw/zinc/43/15/80/569431580.db2.gz YKEBOQJCARXYMC-UHFFFAOYSA-N 0 0 443.297 4.500 40 0 IIABRN CCOC[C@@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218633671 569458921 /nfs/dbraw/zinc/45/89/21/569458921.db2.gz PHUMPHYZEALEHQ-JENIJYKNSA-N 0 0 444.405 4.242 40 0 IIABRN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)cc2Sc1nc[nH]n1 ZINC000008871860 569480871 /nfs/dbraw/zinc/48/08/71/569480871.db2.gz LQDQKXGNGZTWMR-UHFFFAOYSA-N 0 0 442.522 4.322 40 0 IIABRN Cc1cc(Nc2cc(C(F)(F)F)nc(N[C@@H](CO)C(C)C)n2)ccc1Br ZINC000329006836 569583984 /nfs/dbraw/zinc/58/39/84/569583984.db2.gz LGSCSJBSBPHGLE-ZDUSSCGKSA-N 0 0 433.272 4.739 40 0 IIABRN CC(=O)NCc1ccc(-c2ccc(C(=O)Nc3ncc(-c4ccccc4)n3C)c(C)n2)cc1 ZINC000019700535 569582819 /nfs/dbraw/zinc/58/28/19/569582819.db2.gz REWSMQRVPXNCLM-UHFFFAOYSA-N 0 0 439.519 4.346 40 0 IIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccn2)n1 ZINC000329072539 569583401 /nfs/dbraw/zinc/58/34/01/569583401.db2.gz ZZCSZPDVYUJBPZ-SFHVURJKSA-N 0 0 446.324 4.613 40 0 IIABRN CNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329005352 569583461 /nfs/dbraw/zinc/58/34/61/569583461.db2.gz KYBZDRAYIDLSPT-UHFFFAOYSA-N 0 0 445.445 4.664 40 0 IIABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccn2)nc(N[C@H](CO)C(C)C)n1 ZINC000329013615 569584103 /nfs/dbraw/zinc/58/41/03/569584103.db2.gz MRMJOKJAJSLIMZ-LJQANCHMSA-N 0 0 431.462 5.038 40 0 IIABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 ZINC000020411888 569584563 /nfs/dbraw/zinc/58/45/63/569584563.db2.gz ZVDDRULVCVPESS-UHFFFAOYSA-N 0 0 443.550 4.387 40 0 IIABRN COc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCCO4)c(OC)c1 ZINC000006195090 193890564 /nfs/dbraw/zinc/89/05/64/193890564.db2.gz VPPKGOVYEFRXDY-UHFFFAOYSA-N 0 0 426.494 4.062 40 0 IIABRN Cc1ccc(C)c(OCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000096234472 193939823 /nfs/dbraw/zinc/93/98/23/193939823.db2.gz MTGGTXXMZAYCLE-UHFFFAOYSA-N 0 0 430.302 4.153 40 0 IIABRN COc1ccc(CN2C[C@]3(CO[C@@H](C(=O)NCc4cccs4)C3)c3ccccc32)cc1 ZINC000096262884 193946736 /nfs/dbraw/zinc/94/67/36/193946736.db2.gz GTQOMQVUMBTSOV-ILBGXUMGSA-N 0 0 434.561 4.120 40 0 IIABRN C[C@@H](NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223228968 193954959 /nfs/dbraw/zinc/95/49/59/193954959.db2.gz HKMUBUWDSGLOED-MRXNPFEDSA-N 0 0 434.989 4.252 40 0 IIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223236399 193956038 /nfs/dbraw/zinc/95/60/38/193956038.db2.gz RGOZNUHNKDNXFP-PGRDOPGGSA-N 0 0 428.598 4.214 40 0 IIABRN COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223318859 193966170 /nfs/dbraw/zinc/96/61/70/193966170.db2.gz IOCQGPYMAKDOMW-AJSBUHFISA-N 0 0 434.565 4.032 40 0 IIABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223353348 193970038 /nfs/dbraw/zinc/97/00/38/193970038.db2.gz SATZELQKKSQBMX-XNMGPUDCSA-N 0 0 442.559 4.294 40 0 IIABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000408609305 193977044 /nfs/dbraw/zinc/97/70/44/193977044.db2.gz SLXCHZDUJCFUSH-UHFFFAOYSA-N 0 0 436.961 4.087 40 0 IIABRN S=C(N1CCN(c2cccc(Cl)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001649712 132246183 /nfs/dbraw/zinc/24/61/83/132246183.db2.gz RRAFPVMVQWKBJF-UHFFFAOYSA-N 0 0 435.424 4.223 40 0 IIABRN COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(Br)c(C)c2)C(=O)N1 ZINC000009752700 132328312 /nfs/dbraw/zinc/32/83/12/132328312.db2.gz YCPBCEQVSDTMCK-JXFKEZNVSA-N 0 0 431.286 4.314 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1F ZINC000012869768 518744915 /nfs/dbraw/zinc/74/49/15/518744915.db2.gz OJWAJKFUYJVXQN-GOSISDBHSA-N 0 0 430.480 4.119 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)c1ccccc1 ZINC000012636338 518745427 /nfs/dbraw/zinc/74/54/27/518745427.db2.gz JROZVBBHSYJAQG-GOSISDBHSA-N 0 0 428.945 4.494 40 0 IIABRN CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc2c1CCCC2 ZINC000012871340 518746545 /nfs/dbraw/zinc/74/65/45/518746545.db2.gz NRXPYTBDXCXFPA-OAQYLSRUSA-N 0 0 449.580 4.115 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1csnn1 ZINC000012638557 518747349 /nfs/dbraw/zinc/74/73/49/518747349.db2.gz LRZQTGAMQBRGKI-FQEVSTJZSA-N 0 0 440.544 4.018 40 0 IIABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1csnn1 ZINC000012638337 518747413 /nfs/dbraw/zinc/74/74/13/518747413.db2.gz CBKVXLSDODRWMH-KRWDZBQOSA-N 0 0 432.546 4.037 40 0 IIABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)cc1 ZINC000016755830 519008940 /nfs/dbraw/zinc/00/89/40/519008940.db2.gz GSIQSBWRODKJLM-UHFFFAOYSA-N 0 0 433.940 4.480 40 0 IIABRN CC(C)(C)c1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000022374195 519034557 /nfs/dbraw/zinc/03/45/57/519034557.db2.gz LKHYUZYAIPEGTN-HXUWFJFHSA-N 0 0 444.597 4.169 40 0 IIABRN CC(C)Oc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000022393735 519780428 /nfs/dbraw/zinc/78/04/28/519780428.db2.gz UDYYSNXQMHMQIU-UHFFFAOYSA-N 0 0 431.341 4.185 40 0 IIABRN CC(C)Oc1cccc(CCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000022401407 519782704 /nfs/dbraw/zinc/78/27/04/519782704.db2.gz ROHULSBBWLLRAU-UHFFFAOYSA-N 0 0 446.613 4.112 40 0 IIABRN CC(C)n1nc(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000012116141 520065156 /nfs/dbraw/zinc/06/51/56/520065156.db2.gz HJPDJCORCIQLTQ-JOCHJYFZSA-N 0 0 429.524 4.150 40 0 IIABRN CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022536305 520345383 /nfs/dbraw/zinc/34/53/83/520345383.db2.gz ANZBXHHKRSZINV-LBPRGKRZSA-N 0 0 433.332 4.021 40 0 IIABRN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCCOc1ccccc1OC ZINC000041077985 520623936 /nfs/dbraw/zinc/62/39/36/520623936.db2.gz RYROBAOWHXXDQU-XSFVSMFZSA-N 0 0 428.510 4.080 40 0 IIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC ZINC000014427100 520780768 /nfs/dbraw/zinc/78/07/68/520780768.db2.gz LTNQZWUNCCATKG-UHFFFAOYSA-N 0 0 431.341 4.285 40 0 IIABRN CC1=C[C@@H](CNC(=O)c2cncnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000035442821 520882116 /nfs/dbraw/zinc/88/21/16/520882116.db2.gz QWMHGUNOZOSPOQ-WFXMLNOXSA-N 0 0 449.530 4.493 40 0 biogenic,in-vitro IIABRN CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000015380063 520961731 /nfs/dbraw/zinc/96/17/31/520961731.db2.gz IMLLKDSRYICSBC-UHFFFAOYSA-N 0 0 438.549 4.467 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 ZINC000020802808 521091888 /nfs/dbraw/zinc/09/18/88/521091888.db2.gz BZGOGUUNBRCPFP-FCHUYYIVSA-N 0 0 435.524 4.206 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020637478 521092241 /nfs/dbraw/zinc/09/22/41/521092241.db2.gz ZWIGJMZSMGEXRJ-GOTSBHOMSA-N 0 0 441.487 4.336 40 0 IIABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000020491047 521254536 /nfs/dbraw/zinc/25/45/36/521254536.db2.gz FREVRLJTHTWUNV-MGPUTAFESA-N 0 0 438.977 4.161 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3F)cc2c1 ZINC000012708445 521283144 /nfs/dbraw/zinc/28/31/44/521283144.db2.gz MUQUHCVZSOZDSC-IBGZPJMESA-N 0 0 439.487 4.279 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)N3CCCC3)cc2c1 ZINC000012492728 521283246 /nfs/dbraw/zinc/28/32/46/521283246.db2.gz VWDMYVQXZQDYQA-UHFFFAOYSA-N 0 0 435.524 4.153 40 0 IIABRN CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000012482343 521283642 /nfs/dbraw/zinc/28/36/42/521283642.db2.gz UFKOBYXIDGNNIL-UHFFFAOYSA-N 0 0 429.904 4.261 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1cc(C)ccc1C ZINC000012869122 521345483 /nfs/dbraw/zinc/34/54/83/521345483.db2.gz AKJVSDFNFDUGAU-FQEVSTJZSA-N 0 0 437.569 4.243 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012870210 521345584 /nfs/dbraw/zinc/34/55/84/521345584.db2.gz NCDXDBXGWNBEKM-KRWDZBQOSA-N 0 0 432.546 4.432 40 0 IIABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 ZINC000012872358 521346271 /nfs/dbraw/zinc/34/62/71/521346271.db2.gz ARCWXFFVVVDNHA-IBGZPJMESA-N 0 0 426.542 4.128 40 0 IIABRN CCOc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)c1 ZINC000022395532 521385630 /nfs/dbraw/zinc/38/56/30/521385630.db2.gz FGPMTAFTWACVBT-UHFFFAOYSA-N 0 0 434.514 4.120 40 0 IIABRN CCOC(=O)c1ccc(NC(=O)CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012877251 521493965 /nfs/dbraw/zinc/49/39/65/521493965.db2.gz YGGSFSMLOATNMO-UHFFFAOYSA-N 0 0 428.916 4.050 40 0 IIABRN COC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000012833705 521752741 /nfs/dbraw/zinc/75/27/41/521752741.db2.gz RVSKHTXOOYTZIG-UHFFFAOYSA-N 0 0 449.579 4.398 40 0 IIABRN CCc1ccccc1-n1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccn1 ZINC000035290482 521804032 /nfs/dbraw/zinc/80/40/32/521804032.db2.gz FNNXMCSMPVGWGO-UHFFFAOYSA-N 0 0 436.566 4.387 40 0 IIABRN CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1F ZINC000012874061 522036771 /nfs/dbraw/zinc/03/67/71/522036771.db2.gz JXYVTLBFQVGVMI-VLIAUNLRSA-N 0 0 444.507 4.115 40 0 IIABRN COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020462190 522122269 /nfs/dbraw/zinc/12/22/69/522122269.db2.gz JEOISPXCAZLVQH-UHFFFAOYSA-N 0 0 444.896 4.180 40 0 IIABRN COc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc(OC)c1 ZINC000328955237 522638814 /nfs/dbraw/zinc/63/88/14/522638814.db2.gz AAVWUFXWMBOLEI-UHFFFAOYSA-N 0 0 446.429 4.221 40 0 IIABRN CCc1nn2c(nnc(C(=O)N3CCCCC3)c2C)c1-c1ccc(Br)cc1 ZINC000020672893 522711788 /nfs/dbraw/zinc/71/17/88/522711788.db2.gz SDZHADJULYGXOH-UHFFFAOYSA-N 0 0 428.334 4.051 40 0 IIABRN CC[C@@H](NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020487752 522767650 /nfs/dbraw/zinc/76/76/50/522767650.db2.gz LWJHXIPATJFDQJ-YADHBBJMSA-N 0 0 432.586 4.124 40 0 IIABRN COC(=O)C1=C(C)NC(C)=C(C(=O)NCc2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000022063029 522875783 /nfs/dbraw/zinc/87/57/83/522875783.db2.gz ZUQIRBABJRXWND-OAQYLSRUSA-N 0 0 444.453 4.430 40 0 in-vitro IIABRN CN(Cc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)o1)S(C)(=O)=O ZINC000020450063 523195666 /nfs/dbraw/zinc/19/56/66/523195666.db2.gz YPUBQZQHLUSKIU-CCEZHUSRSA-N 0 0 426.494 4.115 40 0 IIABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c(=O)c2cc(OC)ccc21 ZINC000022236048 523340120 /nfs/dbraw/zinc/34/01/20/523340120.db2.gz XLFPTGKBOJSFDR-ZDUSSCGKSA-N 0 0 429.314 4.284 40 0 IIABRN COc1ccc(/C=C/c2nc3ccccc3c(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000012410652 523409383 /nfs/dbraw/zinc/40/93/83/523409383.db2.gz CEUPCDVUVQCPRL-OVCLIPMQSA-N 0 0 432.505 4.200 40 0 IIABRN COc1ccc(C(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1OC ZINC000012701174 523616461 /nfs/dbraw/zinc/61/64/61/523616461.db2.gz FXFHSPKLLSZFOO-MRXNPFEDSA-N 0 0 444.959 4.447 40 0 IIABRN CN(c1ccc(C(=O)NCc2cccc(F)c2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224498741 523633823 /nfs/dbraw/zinc/63/38/23/523633823.db2.gz GUYUVPFDFNJQOF-UHFFFAOYSA-N 0 0 432.904 4.234 40 0 IIABRN COc1ccc(C(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3cc(C)no3)cc2)s1 ZINC000019123923 523712582 /nfs/dbraw/zinc/71/25/82/523712582.db2.gz GGDZSQZHNIGKMY-UHFFFAOYSA-N 0 0 449.536 4.173 40 0 IIABRN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3)c3ccccn32)cc1OC ZINC000022760212 523779346 /nfs/dbraw/zinc/77/93/46/523779346.db2.gz NUJZIBDCXFPDOH-UHFFFAOYSA-N 0 0 429.476 4.330 40 0 IIABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000022230202 523796182 /nfs/dbraw/zinc/79/61/82/523796182.db2.gz SSNOWLKDTJYMME-HXUWFJFHSA-N 0 0 430.570 4.227 40 0 IIABRN CN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C1CCCCC1 ZINC000020493310 523896132 /nfs/dbraw/zinc/89/61/32/523896132.db2.gz BPCYGWNDNJKRHY-OAHLLOKOSA-N 0 0 447.428 4.326 40 0 IIABRN COC(=O)[C@](C)(Cc1cccc(OCc2ccccc2)c1)N1C(=O)c2ccccc2C1=O ZINC000022063619 524001068 /nfs/dbraw/zinc/00/10/68/524001068.db2.gz FFVSOGRKDYQJKA-SANMLTNESA-N 0 0 429.472 4.036 40 0 in-vitro IIABRN CCc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)c1 ZINC000012874828 524070566 /nfs/dbraw/zinc/07/05/66/524070566.db2.gz RDSUPWCYTWWFJB-IBGZPJMESA-N 0 0 426.542 4.305 40 0 IIABRN Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000012488274 524169203 /nfs/dbraw/zinc/16/92/03/524169203.db2.gz SHLSRTDVHOVGLT-UHFFFAOYSA-N 0 0 428.485 4.261 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000022365986 524208650 /nfs/dbraw/zinc/20/86/50/524208650.db2.gz MLXNLZSVICQDMP-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 ZINC000020462435 524209182 /nfs/dbraw/zinc/20/91/82/524209182.db2.gz FVOOEBSIRFAINB-JTHBVZDNSA-N 0 0 442.625 4.155 40 0 IIABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccccc2)no1)CC(C)C ZINC000022256498 524248361 /nfs/dbraw/zinc/24/83/61/524248361.db2.gz ABKIKCAMVSKTEH-UHFFFAOYSA-N 0 0 435.933 4.246 40 0 IIABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1C ZINC000022537178 524333231 /nfs/dbraw/zinc/33/32/31/524333231.db2.gz DEXUHDOJWXVMTN-FQEVSTJZSA-N 0 0 446.613 4.111 40 0 IIABRN Cc1ccc(CN(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000012872337 524360383 /nfs/dbraw/zinc/36/03/83/524360383.db2.gz NUHOLZMHDXDULE-NRFANRHFSA-N 0 0 438.553 4.272 40 0 IIABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231614 524424648 /nfs/dbraw/zinc/42/46/48/524424648.db2.gz ZRIABJSOTWYDNO-UHFFFAOYSA-N 0 0 442.512 4.118 40 0 IIABRN Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000012636715 524509404 /nfs/dbraw/zinc/50/94/04/524509404.db2.gz XPVXHOHLSSUYJU-NRFANRHFSA-N 0 0 438.528 4.433 40 0 IIABRN COc1ccccc1N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccc(C)cc1 ZINC000012637652 524524411 /nfs/dbraw/zinc/52/44/11/524524411.db2.gz UWYUXHUMXQHACV-FQEVSTJZSA-N 0 0 438.553 4.158 40 0 IIABRN Cc1ccc(CNC(=S)Nc2nc(N3CCC(C)CC3)cc(N3CCC(C)CC3)n2)o1 ZINC000225915202 524569864 /nfs/dbraw/zinc/56/98/64/524569864.db2.gz ZMJGOCWSDCVNIU-UHFFFAOYSA-N 0 0 442.633 4.337 40 0 IIABRN COc1ccccc1NC(=S)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000012644678 524632069 /nfs/dbraw/zinc/63/20/69/524632069.db2.gz UUBLIYRXJALOAN-UHFFFAOYSA-N 0 0 442.629 4.124 40 0 IIABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)cc1 ZINC000020493123 524633479 /nfs/dbraw/zinc/63/34/79/524633479.db2.gz YGGYTLUEVQIAOB-FQEVSTJZSA-N 0 0 428.598 4.031 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000022280804 524894084 /nfs/dbraw/zinc/89/40/84/524894084.db2.gz CLARDDHEXBJDIO-DEOSSOPVSA-N 0 0 434.561 4.384 40 0 IIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1C(=O)N1CCCCCC1 ZINC000022530856 525074176 /nfs/dbraw/zinc/07/41/76/525074176.db2.gz PESCEUBQUAGLJY-GOSISDBHSA-N 0 0 430.570 4.059 40 0 IIABRN Cc1ccccc1CC(=O)NCc1ccc(-c2nc(N(C)C)ncc2-c2ccccn2)cc1 ZINC000012257336 525095230 /nfs/dbraw/zinc/09/52/30/525095230.db2.gz KOVNNZIXBVAMPH-UHFFFAOYSA-N 0 0 437.547 4.439 40 0 IIABRN C[C@@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022535609 525099928 /nfs/dbraw/zinc/09/99/28/525099928.db2.gz DBRNFSFZXWLCEW-MRXNPFEDSA-N 0 0 436.524 4.166 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000022528364 525143379 /nfs/dbraw/zinc/14/33/79/525143379.db2.gz JSVAWLWCDOLSMZ-OAHLLOKOSA-N 0 0 436.961 4.014 40 0 IIABRN Cc1ccccc1N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000012636614 525214275 /nfs/dbraw/zinc/21/42/75/525214275.db2.gz VUXHMFSWDLVZNQ-OAQYLSRUSA-N 0 0 435.553 4.079 40 0 IIABRN Cc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(N2CCCC2)nc1 ZINC000035292249 525217940 /nfs/dbraw/zinc/21/79/40/525217940.db2.gz OZPBNSKIDJXYHF-UHFFFAOYSA-N 0 0 446.526 4.093 40 0 IIABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCC(=O)c5ccccc5)nc4nc3C2)cc1 ZINC000020671589 525238696 /nfs/dbraw/zinc/23/86/96/525238696.db2.gz ZWQVISJKXYUIPA-KRWDZBQOSA-N 0 0 444.516 4.021 40 0 IIABRN COc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3ncc(C(=O)N4CCCC4)c(C)n3)oc2c1 ZINC000019755956 525493872 /nfs/dbraw/zinc/49/38/72/525493872.db2.gz XHCOBEYHBGVESX-FQEVSTJZSA-N 0 0 448.523 4.062 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2cccc(Cl)c2)cc1 ZINC000020368022 525505842 /nfs/dbraw/zinc/50/58/42/525505842.db2.gz ZHOYTNNALMTYRV-UHFFFAOYSA-N 0 0 442.968 4.469 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)Cn1c2ccccc2nc1SCC(=O)NC(C)(C)C ZINC000012882308 525530415 /nfs/dbraw/zinc/53/04/15/525530415.db2.gz JLRKQBIVACZOQU-MRXNPFEDSA-N 0 0 436.581 4.021 40 0 IIABRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(I)cc1C ZINC000017097797 525690164 /nfs/dbraw/zinc/69/01/64/525690164.db2.gz DCNGXFCZLASJNP-UHFFFAOYSA-N 0 0 432.261 4.314 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1C ZINC000022366328 525695648 /nfs/dbraw/zinc/69/56/48/525695648.db2.gz NGVWTDSVUUGQNA-CQSZACIVSA-N 0 0 429.369 4.254 40 0 IIABRN COc1cccc(-c2csc3nnc(SCC(=O)NCc4ccc(F)cc4)n23)c1 ZINC000012878723 525718462 /nfs/dbraw/zinc/71/84/62/525718462.db2.gz LRHDGTZHJNDBCD-UHFFFAOYSA-N 0 0 428.514 4.014 40 0 IIABRN COc1cccc(-n2c(SCC(=O)N(C)C3CCCCC3)nnc2-c2ccncc2)c1 ZINC000035291636 525746325 /nfs/dbraw/zinc/74/63/25/525746325.db2.gz MBRNTJZPNNQJCM-UHFFFAOYSA-N 0 0 437.569 4.221 40 0 IIABRN Cc1ccc([C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(CC2CCCCC2)[C@@H]4C(=O)NC2CCCC2)cc1 ZINC000012645309 525865352 /nfs/dbraw/zinc/86/53/52/525865352.db2.gz FQIDKPSCQYBSCJ-MOBZEUQDSA-N 0 0 448.607 4.252 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020491437 525887520 /nfs/dbraw/zinc/88/75/20/525887520.db2.gz NXBYCKUNCNOVTP-SFHVURJKSA-N 0 0 426.513 4.207 40 0 IIABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1C ZINC000022366331 525888009 /nfs/dbraw/zinc/88/80/09/525888009.db2.gz NGVWTDSVUUGQNA-AWEZNQCLSA-N 0 0 429.369 4.254 40 0 IIABRN Cc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccncc2)c(C)c1 ZINC000035290411 525899304 /nfs/dbraw/zinc/89/93/04/525899304.db2.gz ZFZNWQBSXOGRFI-UHFFFAOYSA-N 0 0 435.578 4.416 40 0 IIABRN Cc1ccc([C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c2ccccc2)cc1 ZINC000020492919 525969000 /nfs/dbraw/zinc/96/90/00/525969000.db2.gz VBXLNRQPCYOVFS-RUZDIDTESA-N 0 0 434.561 4.498 40 0 IIABRN Cc1cc(-c2cnn(CCNC(=O)[C@@H](C)Cc3cccs3)c2-c2ccc(C)nc2)on1 ZINC000012223153 526047534 /nfs/dbraw/zinc/04/75/34/526047534.db2.gz LXWLEWJCTQBFQV-HNNXBMFYSA-N 0 0 435.553 4.273 40 0 IIABRN Cc1cc(C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4nc(C(C)(C)C)cc4N3)CC2)on1 ZINC000019119691 526239757 /nfs/dbraw/zinc/23/97/57/526239757.db2.gz FRSPMRCXCKOZAM-WMLDXEAASA-N 0 0 439.482 4.317 40 0 IIABRN O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 ZINC000012443406 526313709 /nfs/dbraw/zinc/31/37/09/526313709.db2.gz VSPZEGWVDKTGDK-UHFFFAOYSA-N 0 0 449.514 4.125 40 0 IIABRN O=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)C1CCCC1 ZINC000012873398 526673275 /nfs/dbraw/zinc/67/32/75/526673275.db2.gz ASBHPGHUFVYDBI-NRFANRHFSA-N 0 0 438.528 4.120 40 0 IIABRN O=C(NCc1ccccc1)c1ccc2c(=O)[nH]c3c(-c4ccc(Cl)cc4)nnn3c2c1 ZINC000021867278 526739113 /nfs/dbraw/zinc/73/91/13/526739113.db2.gz SETJMKRNRPRBCD-UHFFFAOYSA-N 0 0 429.867 4.234 40 0 IIABRN O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000012157819 526874261 /nfs/dbraw/zinc/87/42/61/526874261.db2.gz DJXUQURBNQRDRV-OXQOHEQNSA-N 0 0 428.508 4.200 40 0 IIABRN Cc1sc(NC(=O)CN(C(=O)NC2CCCCC2)C2CCCCC2)c(C(N)=O)c1C ZINC000035311068 526878637 /nfs/dbraw/zinc/87/86/37/526878637.db2.gz GWPYCVNYELCYAS-UHFFFAOYSA-N 0 0 434.606 4.079 40 0 IIABRN Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)Nc2ccccc2)c(C(N)=O)c1C ZINC000035312687 526879884 /nfs/dbraw/zinc/87/98/84/526879884.db2.gz PCGVJBHQMUUNLR-UHFFFAOYSA-N 0 0 436.537 4.137 40 0 IIABRN Cc1sc2nc(C3CC3)n(C3CCN(C(=O)Cc4ccccc4F)CC3)c(=O)c2c1C ZINC000012184964 526890934 /nfs/dbraw/zinc/89/09/34/526890934.db2.gz TYCHRUGASDRKIY-UHFFFAOYSA-N 0 0 439.556 4.498 40 0 IIABRN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000012497031 527065673 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COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cc(OC)ccc2OC)cc1 ZINC000408627493 555998432 /nfs/dbraw/zinc/99/84/32/555998432.db2.gz MYQGIEPFVDMYHO-UHFFFAOYSA-N 0 0 431.485 4.247 40 0 IIABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2cc(OC)ccc2OC)cc1 ZINC000408627864 555998656 /nfs/dbraw/zinc/99/86/56/555998656.db2.gz QKKCFRTUVDERGZ-UHFFFAOYSA-N 0 0 427.522 4.416 40 0 IIABRN COc1ccc(NC(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000408628546 555998997 /nfs/dbraw/zinc/99/89/97/555998997.db2.gz YRPXIYAIKJRWJM-UHFFFAOYSA-N 0 0 428.897 4.163 40 0 IIABRN CCOc1ccccc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000408629981 556000415 /nfs/dbraw/zinc/00/04/15/556000415.db2.gz LROHJWKLHASCFG-UHFFFAOYSA-N 0 0 440.521 4.282 40 0 IIABRN Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 ZINC000408638205 556015560 /nfs/dbraw/zinc/01/55/60/556015560.db2.gz PRCWNPHHZYUKCV-UHFFFAOYSA-N 0 0 428.539 4.301 40 0 IIABRN CC(=O)Nc1cccc(-c2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)c1 ZINC000408638309 556015799 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Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 ZINC000408653505 556032014 /nfs/dbraw/zinc/03/20/14/556032014.db2.gz IFAJIQCTIWCYHL-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 ZINC000408653506 556032048 /nfs/dbraw/zinc/03/20/48/556032048.db2.gz IFAJIQCTIWCYHL-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H]([C@]1(O)c3ccccc3NC1=O)C2=O ZINC000118916096 556036092 /nfs/dbraw/zinc/03/60/92/556036092.db2.gz ANRFRODGBYZULY-SZXHKMLPSA-N 0 0 437.580 4.025 40 0 IIABRN COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000408656471 556036430 /nfs/dbraw/zinc/03/64/30/556036430.db2.gz SPNDUWVVDHGWTR-JSGCOSHPSA-N 0 0 436.291 4.170 40 0 IIABRN Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 ZINC000408657311 556038073 /nfs/dbraw/zinc/03/80/73/556038073.db2.gz OZXWUOAPTZFISP-CQSZACIVSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C ZINC000408660670 556041014 /nfs/dbraw/zinc/04/10/14/556041014.db2.gz UZKMNBGLQHHZFE-AWEZNQCLSA-N 0 0 435.307 4.145 40 0 IIABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c(C)c1 ZINC000408661314 556041807 /nfs/dbraw/zinc/04/18/07/556041807.db2.gz MJNYCOKCAIQBIX-HBGVWJBISA-N 0 0 448.519 4.025 40 0 IIABRN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 ZINC000408658946 556043605 /nfs/dbraw/zinc/04/36/05/556043605.db2.gz RZIKPKJJIMBKMY-CQSZACIVSA-N 0 0 435.307 4.091 40 0 IIABRN O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl ZINC000408658815 556043617 /nfs/dbraw/zinc/04/36/17/556043617.db2.gz IXVOGGSJZYSBLX-UHFFFAOYSA-N 0 0 435.185 4.290 40 0 IIABRN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 ZINC000408658941 556043626 /nfs/dbraw/zinc/04/36/26/556043626.db2.gz RZIKPKJJIMBKMY-AWEZNQCLSA-N 0 0 435.307 4.091 40 0 IIABRN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408663988 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4.006 40 0 IIABRN O=C(C(=O)N1CCN(c2ccccc2F)CC1)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408677735 556071817 /nfs/dbraw/zinc/07/18/17/556071817.db2.gz RDGCAMSLJJZXAG-UHFFFAOYSA-N 0 0 445.469 4.416 40 0 IIABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000408677705 556071886 /nfs/dbraw/zinc/07/18/86/556071886.db2.gz QWCWKSXLXVJSOT-UHFFFAOYSA-N 0 0 438.549 4.297 40 0 IIABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NC1CCCCCCC1 ZINC000408679221 556073861 /nfs/dbraw/zinc/07/38/61/556073861.db2.gz VKROSWFPMOWKSQ-UHFFFAOYSA-N 0 0 430.570 4.404 40 0 IIABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)NCc1ccccc1 ZINC000408680490 556075375 /nfs/dbraw/zinc/07/53/75/556075375.db2.gz ZKDFWDCNHGNPQK-UHFFFAOYSA-N 0 0 444.940 4.388 40 0 IIABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 ZINC000408684806 556084626 /nfs/dbraw/zinc/08/46/26/556084626.db2.gz ODJJXLYKCXTWKG-NRFANRHFSA-N 0 0 444.535 4.097 40 0 IIABRN COCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408692068 556094497 /nfs/dbraw/zinc/09/44/97/556094497.db2.gz CTIWOQKDBNUJAA-UHFFFAOYSA-N 0 0 425.703 4.271 40 0 IIABRN CCN(c1ccc(C(=O)N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408701320 556104128 /nfs/dbraw/zinc/10/41/28/556104128.db2.gz WEPYZKWCVYHUDQ-UHFFFAOYSA-N 0 0 432.611 4.496 40 0 IIABRN O=C(Nc1ccc(F)cc1F)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408701210 556104189 /nfs/dbraw/zinc/10/41/89/556104189.db2.gz UIUISVPDTDTESZ-UHFFFAOYSA-N 0 0 428.888 4.435 40 0 IIABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000408701506 556104459 /nfs/dbraw/zinc/10/44/59/556104459.db2.gz ZAJHEKRPCYDJHI-RXVVDRJESA-N 0 0 444.597 4.097 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408701628 556104746 /nfs/dbraw/zinc/10/47/46/556104746.db2.gz BHFFOEUDTLFNMD-UHFFFAOYSA-N 0 0 430.614 4.114 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408702004 556105360 /nfs/dbraw/zinc/10/53/60/556105360.db2.gz JDXPJCNBBRLJKQ-UHFFFAOYSA-N 0 0 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0 0 443.352 4.429 40 0 IIABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC000009063770 556244258 /nfs/dbraw/zinc/24/42/58/556244258.db2.gz BNLRYGQMUBHOCS-UHFFFAOYSA-N 0 0 442.459 4.141 40 0 IIABRN CCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000013684352 556275267 /nfs/dbraw/zinc/27/52/67/556275267.db2.gz GWQRWCAWUKOVOS-UHFFFAOYSA-N 0 0 425.710 4.260 40 0 IIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000013708622 556283604 /nfs/dbraw/zinc/28/36/04/556283604.db2.gz NCJUJWIBWLKJMS-QGZVFWFLSA-N 0 0 426.538 4.276 40 0 IIABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013709984 556283858 /nfs/dbraw/zinc/28/38/58/556283858.db2.gz NHVOHCAKRQPZFR-MRXNPFEDSA-N 0 0 436.961 4.311 40 0 IIABRN CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1cccc(Cl)c1 ZINC000009823130 556309344 /nfs/dbraw/zinc/30/93/44/556309344.db2.gz BYULDBMBNXMAJJ-UHFFFAOYSA-N 0 0 429.933 4.308 40 0 IIABRN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000010008710 556320871 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4.472 40 0 IIABRN C[C@H](CNC(=O)C1CCC2(CC1)CNC(=O)c1cc(Cl)ccc1O2)c1ccccc1 ZINC000012087238 556400267 /nfs/dbraw/zinc/40/02/67/556400267.db2.gz UJYNHPVZJUNTFY-HKYQFSCDSA-N 0 0 426.944 4.311 40 0 IIABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2nc(C)n3c(C)c(C)sc23)C1 ZINC000012087574 556400966 /nfs/dbraw/zinc/40/09/66/556400966.db2.gz MICQHQVHSUVPDG-HNNXBMFYSA-N 0 0 437.562 4.037 40 0 IIABRN CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(Br)cc1Cl ZINC000028188783 556444626 /nfs/dbraw/zinc/44/46/26/556444626.db2.gz KWHNEZGXJYPVPL-UHFFFAOYSA-N 0 0 442.722 4.251 40 0 IIABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000029025424 556466020 /nfs/dbraw/zinc/46/60/20/556466020.db2.gz JZLFPRCJFBJQBO-UHFFFAOYSA-N 0 0 442.581 4.356 40 0 IIABRN O=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015005080 556481132 /nfs/dbraw/zinc/48/11/32/556481132.db2.gz DIYALPMPOSMXOJ-UHFFFAOYSA-N 0 0 430.476 4.157 40 0 IIABRN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1 ZINC000013226940 556499619 /nfs/dbraw/zinc/49/96/19/556499619.db2.gz XDVJLZMMRSUSGZ-UYAOXDASSA-N 0 0 431.536 4.124 40 0 IIABRN NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000013265717 556501343 /nfs/dbraw/zinc/50/13/43/556501343.db2.gz VARYQDVLIVOFMM-UHFFFAOYSA-N 0 0 443.881 4.214 40 0 IIABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1Cl ZINC000030754016 556503749 /nfs/dbraw/zinc/50/37/49/556503749.db2.gz MTXIZXAWYUXHKR-UHFFFAOYSA-N 0 0 433.382 4.028 40 0 IIABRN Cc1nn(Cc2cccc(C(=O)Nc3cnn(COCC(F)(F)F)c3)c2)c(C)c1Cl ZINC000036611189 556506742 /nfs/dbraw/zinc/50/67/42/556506742.db2.gz ZWNAMTSVVPWMHH-UHFFFAOYSA-N 0 0 441.841 4.187 40 0 IIABRN Cc1ccccc1N(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030851359 556509068 /nfs/dbraw/zinc/50/90/68/556509068.db2.gz DMWVZXQUIKBMIV-UHFFFAOYSA-N 0 0 446.931 4.299 40 0 IIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1Cl ZINC000030854821 556509883 /nfs/dbraw/zinc/50/98/83/556509883.db2.gz YVYBJYSXSZJRAR-UHFFFAOYSA-N 0 0 448.722 4.089 40 0 IIABRN COc1cc(OC)c([C@@H]2C[C@@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430362 556523575 /nfs/dbraw/zinc/52/35/75/556523575.db2.gz OOROCWPUUPSFBN-OSPHWJPCSA-N 0 0 427.497 4.168 40 0 IIABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000015398261 556524138 /nfs/dbraw/zinc/52/41/38/556524138.db2.gz SFLXOBZYIFBTJJ-SFHVURJKSA-N 0 0 426.513 4.207 40 0 IIABRN CCCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)c1 ZINC000032125098 556534271 /nfs/dbraw/zinc/53/42/71/556534271.db2.gz KOYQFEKRNWXGKP-UHFFFAOYSA-N 0 0 445.610 4.422 40 0 IIABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nn12 ZINC000032127361 556536366 /nfs/dbraw/zinc/53/63/66/556536366.db2.gz VBBIDSNXVRMDFF-UHFFFAOYSA-N 0 0 436.566 4.213 40 0 IIABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 ZINC000032127410 556536393 /nfs/dbraw/zinc/53/63/93/556536393.db2.gz MUTZUFHAWJYCIA-UHFFFAOYSA-N 0 0 431.536 4.405 40 0 IIABRN Cc1ccc(CCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000013648535 556544793 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ZINC000039858242 556630050 /nfs/dbraw/zinc/63/00/50/556630050.db2.gz PUEVDMKLCBSUJP-SNVBAGLBSA-N 0 0 446.082 4.460 40 0 IIABRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc1 ZINC000016575728 556615856 /nfs/dbraw/zinc/61/58/56/556615856.db2.gz SBDFASFZCGOZKU-AWNIVKPZSA-N 0 0 440.594 4.169 40 0 IIABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000038755030 556617256 /nfs/dbraw/zinc/61/72/56/556617256.db2.gz MTEVSQIGVCVRAF-HXUWFJFHSA-N 0 0 438.977 4.018 40 0 IIABRN C[C@@H]1COC[C@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2cccc(Cl)c2)n1 ZINC000016609680 556617339 /nfs/dbraw/zinc/61/73/39/556617339.db2.gz KFXMGCSBISBJNR-IYBDPMFKSA-N 0 0 447.930 4.053 40 0 IIABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000038756530 556618310 /nfs/dbraw/zinc/61/83/10/556618310.db2.gz BQVJAHYFIWYOCY-GOSISDBHSA-N 0 0 438.549 4.401 40 0 IIABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000038772949 556619506 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IIABRN O=C(NC[C@@H]1Cc2ccccc2O1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257208860 556702294 /nfs/dbraw/zinc/70/22/94/556702294.db2.gz BNVRLLLPJSZQQQ-DEOSSOPVSA-N 0 0 428.532 4.208 40 0 IIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cccnc2)CC1 ZINC000257312564 556703359 /nfs/dbraw/zinc/70/33/59/556703359.db2.gz UONSTEBZRJOJLJ-UHFFFAOYSA-N 0 0 427.548 4.350 40 0 IIABRN Cc1cc2ccccc2n1CCC(=O)N[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(F)cc1 ZINC000019126846 556703551 /nfs/dbraw/zinc/70/35/51/556703551.db2.gz BAANMILWTGHSFY-JOCHJYFZSA-N 0 0 432.499 4.383 40 0 IIABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257318358 556704183 /nfs/dbraw/zinc/70/41/83/556704183.db2.gz VNOLBDGCAPAFAH-BVAGGSTKSA-N 0 0 449.526 4.222 40 0 IIABRN O=C(NCc1ccc2c(c1)OCO2)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 ZINC000257342183 556707041 /nfs/dbraw/zinc/70/70/41/556707041.db2.gz ZNLPULDPOKGXJC-UHFFFAOYSA-N 0 0 430.504 4.133 40 0 IIABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@H](Cc2cccc3cnccc32)C1 ZINC000257246797 556710960 /nfs/dbraw/zinc/71/09/60/556710960.db2.gz IVWDOAKDPCKURY-LJQANCHMSA-N 0 0 440.503 4.148 40 0 IIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccc(C)c2)C1 ZINC000019234603 556718730 /nfs/dbraw/zinc/71/87/30/556718730.db2.gz HCWZVUQTHVVQPZ-SANMLTNESA-N 0 0 432.589 4.473 40 0 IIABRN Cc1cccc(-c2cccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)c2)c1 ZINC000019235437 556719956 /nfs/dbraw/zinc/71/99/56/556719956.db2.gz MQZZYEPTKIVKDT-MHZLTWQESA-N 0 0 444.579 4.459 40 0 IIABRN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1OC ZINC000000866702 556724580 /nfs/dbraw/zinc/72/45/80/556724580.db2.gz ANDVYZKFQKHGPE-GUYCJALGSA-N 0 0 436.390 4.406 40 0 IIABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(OC)c2)sc1NC(=O)Cc1ccccc1 ZINC000000871315 556725888 /nfs/dbraw/zinc/72/58/88/556725888.db2.gz REOWYPLNUGPJQT-UHFFFAOYSA-N 0 0 438.505 4.285 40 0 IIABRN Cc1cnn(CC(=O)N2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)c1 ZINC000019239899 556725972 /nfs/dbraw/zinc/72/59/72/556725972.db2.gz 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Cc1nccn1C[C@H](C)C(=O)N1CC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019287655 556728208 /nfs/dbraw/zinc/72/82/08/556728208.db2.gz CBYYWRMOCQTRDA-GOEBONIOSA-N 0 0 448.493 4.029 40 0 IIABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccccc3)cc12 ZINC000000878594 556730322 /nfs/dbraw/zinc/73/03/22/556730322.db2.gz YECPUSFMFRTWAI-OAQYLSRUSA-N 0 0 435.593 4.201 40 0 IIABRN Cc1cc2cc(CN(C(=S)NC[C@@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000000878856 556730847 /nfs/dbraw/zinc/73/08/47/556730847.db2.gz JNBWJDGOEGOCBY-NRFANRHFSA-N 0 0 427.614 4.333 40 0 IIABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000000882207 556733479 /nfs/dbraw/zinc/73/34/79/556733479.db2.gz ZJJRTIOTCZUUAP-LLVKDONJSA-N 0 0 428.945 4.372 40 0 IIABRN O=C(c1cc(C2CCCCC2)no1)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1ccc(F)cc1 ZINC000019336237 556738496 /nfs/dbraw/zinc/73/84/96/556738496.db2.gz FSZOAVASZQJAMF-VWNXMTODSA-N 0 0 425.504 4.488 40 0 IIABRN Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)c(=O)[nH]c2c1 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556855040 /nfs/dbraw/zinc/85/50/40/556855040.db2.gz IEKBHXKPWDTDIL-QHVUTBCBSA-N 0 0 435.343 4.325 40 0 IIABRN COc1cc(C)ccc1CN(C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019698551 556856952 /nfs/dbraw/zinc/85/69/52/556856952.db2.gz GQOHEDQKPSBVFU-UHFFFAOYSA-N 0 0 448.542 4.353 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706702 556865262 /nfs/dbraw/zinc/86/52/62/556865262.db2.gz HNGMKSDAQYXFBT-JOCHJYFZSA-N 0 0 447.627 4.462 40 0 IIABRN COc1ccccc1CN1CCCc2c(C)nc(C3CCN(C(=O)C4CCC4)CC3)nc21 ZINC000019707174 556866602 /nfs/dbraw/zinc/86/66/02/556866602.db2.gz HAPYOBULNOCOEU-UHFFFAOYSA-N 0 0 434.584 4.253 40 0 IIABRN COc1ccc(CCC(=O)N2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)cc1C ZINC000019708292 556868686 /nfs/dbraw/zinc/86/86/86/556868686.db2.gz OGADWXNSHQKDGA-UHFFFAOYSA-N 0 0 449.595 4.364 40 0 IIABRN O=c1/c(=C\c2ccco2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408845649 556868877 /nfs/dbraw/zinc/86/88/77/556868877.db2.gz QTXSXRZONHGTFG-XOYGFPHKSA-N 0 0 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ZINC000019741763 556884728 /nfs/dbraw/zinc/88/47/28/556884728.db2.gz CLOCXRLDHQUPKL-QFIPXVFZSA-N 0 0 436.604 4.198 40 0 IIABRN CC(=O)Nc1ccc(CN2CCC[C@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)cc1 ZINC000019741821 556884926 /nfs/dbraw/zinc/88/49/26/556884926.db2.gz BYIUHVKHVZFARR-QHCPKHFHSA-N 0 0 449.599 4.406 40 0 IIABRN Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019742063 556885669 /nfs/dbraw/zinc/88/56/69/556885669.db2.gz XGEAYSULONHQIR-QFIPXVFZSA-N 0 0 426.520 4.242 40 0 IIABRN Cc1nc([C@H]2CCCN2C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2CCC(C)C ZINC000019742092 556885699 /nfs/dbraw/zinc/88/56/99/556885699.db2.gz SBTJFGBXTGSKFW-JOCHJYFZSA-N 0 0 449.599 4.192 40 0 IIABRN O=C(Cc1ccccn1)N1CCC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019742756 556886892 /nfs/dbraw/zinc/88/68/92/556886892.db2.gz LNANERCMVPBEGO-SFHVURJKSA-N 0 0 444.514 4.053 40 0 IIABRN CC(C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408908994 556887036 /nfs/dbraw/zinc/88/70/36/556887036.db2.gz 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COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OC(C)C ZINC000408932923 556894998 /nfs/dbraw/zinc/89/49/98/556894998.db2.gz FSWMGYNGHHGNAL-ODLFYWEKSA-N 0 0 444.484 4.297 40 0 IIABRN CC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000408939967 556896451 /nfs/dbraw/zinc/89/64/51/556896451.db2.gz SXEDHBFEKLSXLV-CQSZACIVSA-N 0 0 429.369 4.099 40 0 IIABRN Cc1nc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752979 556896740 /nfs/dbraw/zinc/89/67/40/556896740.db2.gz JZCOEZZUCGGMSG-QFIPXVFZSA-N 0 0 441.579 4.082 40 0 IIABRN Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019754757 556897726 /nfs/dbraw/zinc/89/77/26/556897726.db2.gz PHKCAMZRKNEUAH-HSZRJFAPSA-N 0 0 441.579 4.195 40 0 IIABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000408956260 556900338 /nfs/dbraw/zinc/90/03/38/556900338.db2.gz QEZRGWVDFOZNBG-KJRLAJNESA-N 0 0 425.234 4.400 40 0 IIABRN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(C(=O)C1CCCCC1)CC3)c1cccn1-2 ZINC000072327288 556904032 /nfs/dbraw/zinc/90/40/32/556904032.db2.gz GPENNRFHPYCMAW-AREMUKBSSA-N 0 0 435.568 4.469 40 0 IIABRN Cc1cccc(C)c1OCC(=O)N1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761450 556904976 /nfs/dbraw/zinc/90/49/76/556904976.db2.gz VAIBDAJZZWPIPA-FQEVSTJZSA-N 0 0 445.563 4.385 40 0 IIABRN O=C(c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N(CCO)c1ccccc1 ZINC000408977751 556907063 /nfs/dbraw/zinc/90/70/63/556907063.db2.gz JVRDGPFQTFJLKU-UHFFFAOYSA-N 0 0 447.498 4.393 40 0 IIABRN COc1ccc(C2(C(=O)N3CCC(c4nc(C)ncc4-c4ccncc4)CC3)CC2)cc1 ZINC000072334744 556907488 /nfs/dbraw/zinc/90/74/88/556907488.db2.gz YKEVHFBNHRVXAO-UHFFFAOYSA-N 0 0 428.536 4.293 40 0 IIABRN CC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408973070 556907521 /nfs/dbraw/zinc/90/75/21/556907521.db2.gz RRVNCKBVXUZGAC-CQSZACIVSA-N 0 0 429.369 4.099 40 0 IIABRN CCn1nc(C)c(CN2CCCC[C@@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)c1C ZINC000019764287 556908792 /nfs/dbraw/zinc/90/87/92/556908792.db2.gz LXYMZAVIFDFJHA-XMMPIXPASA-N 0 0 446.599 4.275 40 0 IIABRN Cc1ncc(CN2CCCC[C@@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)s1 ZINC000019764981 556909719 /nfs/dbraw/zinc/90/97/19/556909719.db2.gz XTDNEGKOHWEVRV-OAQYLSRUSA-N 0 0 439.560 4.346 40 0 IIABRN Cc1nc([C@@H]2CCCCN2Cc2cccc(OCc3ccccn3)c2)ncc1C(=O)N(C)C ZINC000019765578 556910360 /nfs/dbraw/zinc/91/03/60/556910360.db2.gz BARMGFFHELJGLE-DEOSSOPVSA-N 0 0 445.567 4.188 40 0 IIABRN Cc1nccc(-c2ccc(-c3noc(CN4CCN([C@@H](C)c5ccccc5)CC4)n3)cc2)n1 ZINC000072340136 556912044 /nfs/dbraw/zinc/91/20/44/556912044.db2.gz IZXDUMXQCRLEEZ-IBGZPJMESA-N 0 0 440.551 4.381 40 0 IIABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)NC3CCCCC3)C(=O)N1CC2 ZINC000072342041 556914411 /nfs/dbraw/zinc/91/44/11/556914411.db2.gz MHVUZXXFOBVKJD-VWLOTQADSA-N 0 0 449.551 4.040 40 0 IIABRN CCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409004840 556915372 /nfs/dbraw/zinc/91/53/72/556915372.db2.gz FGKMWZHEGZNLOJ-UHFFFAOYSA-N 0 0 426.513 4.218 40 0 IIABRN O=C(CN1C(=O)N/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O)Nc1ccc(Cl)cc1 ZINC000409010514 556917885 /nfs/dbraw/zinc/91/78/85/556917885.db2.gz KUACXNJHPMVLQH-WQRHYEAKSA-N 0 0 439.830 4.271 40 0 IIABRN C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(Oc4ccccc4)c2)C3)C[C@@H](C)O1 ZINC000072347277 556918352 /nfs/dbraw/zinc/91/83/52/556918352.db2.gz JMTHLIRYLROPIE-RTBURBONSA-N 0 0 446.551 4.146 40 0 IIABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)cc1OC ZINC000019816529 556919737 /nfs/dbraw/zinc/91/97/37/556919737.db2.gz JPWJRSOBBAFWRB-HNNXBMFYSA-N 0 0 434.883 4.375 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000019818590 556921354 /nfs/dbraw/zinc/92/13/54/556921354.db2.gz IMLMBTSQNKGCLC-GOTSBHOMSA-N 0 0 425.488 4.352 40 0 IIABRN COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000409016772 556921678 /nfs/dbraw/zinc/92/16/78/556921678.db2.gz ISCLYQDATXDMDC-UHFFFAOYSA-N 0 0 436.430 4.214 40 0 IIABRN COC1CCC(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccccc3C)c2)CC1 ZINC000072351926 556922737 /nfs/dbraw/zinc/92/27/37/556922737.db2.gz MURHXLBDDIOYFJ-GCKKQHTFSA-N 0 0 434.580 4.079 40 0 IIABRN Cc1cccc(CN2C(=O)[C@H](CC(=O)NCCc3ccccc3)n3c4ccccc4nc32)c1 ZINC000019819459 556922741 /nfs/dbraw/zinc/92/27/41/556922741.db2.gz VMWCXEZGXTWQET-DEOSSOPVSA-N 0 0 438.531 4.182 40 0 IIABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(F)c1 ZINC000019820188 556923701 /nfs/dbraw/zinc/92/37/01/556923701.db2.gz BTPQQSJPNDTYJD-GOTSBHOMSA-N 0 0 443.478 4.491 40 0 IIABRN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)nc2)n1 ZINC000072353079 556925516 /nfs/dbraw/zinc/92/55/16/556925516.db2.gz CIIOSXKJNUDSFF-NRFANRHFSA-N 0 0 441.532 4.205 40 0 IIABRN CCc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409027541 556926653 /nfs/dbraw/zinc/92/66/53/556926653.db2.gz FLIXNPFVXBGNBL-UHFFFAOYSA-N 0 0 442.968 4.414 40 0 IIABRN CCc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000409027448 556926706 /nfs/dbraw/zinc/92/67/06/556926706.db2.gz 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0 0 441.380 4.053 40 0 IIABRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O ZINC000260512277 557167440 /nfs/dbraw/zinc/16/74/40/557167440.db2.gz VQVNGUNVPGJFGY-QGZVFWFLSA-N 0 0 437.005 4.332 40 0 IIABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1C ZINC000260512450 557167771 /nfs/dbraw/zinc/16/77/71/557167771.db2.gz WQTXKHPQXMMROH-NQIIRXRSSA-N 0 0 449.016 4.376 40 0 IIABRN CC(C)n1cnc2c1cc(C1CCN(C(=O)C3CCOCC3)CC1)nc2-c1cccnc1 ZINC000096100022 557169424 /nfs/dbraw/zinc/16/94/24/557169424.db2.gz NIIYGNHSZBDITC-UHFFFAOYSA-N 0 0 433.556 4.207 40 0 IIABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OC)c4)cc3n2)cc1 ZINC000008831192 557174176 /nfs/dbraw/zinc/17/41/76/557174176.db2.gz GGDFSBFLLKPIDF-UHFFFAOYSA-N 0 0 445.548 4.427 40 0 IIABRN CCCCOC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(OC)c3)sc2c1 ZINC000008903312 557178929 /nfs/dbraw/zinc/17/89/29/557178929.db2.gz NHIWRQCHFGJRAO-UHFFFAOYSA-N 0 0 443.550 4.389 40 0 IIABRN CCc1ccc(NC(=O)N2CCC[C@]3(CC(C(=O)Nc4ccc(OC)cc4)=NO3)C2)cc1 ZINC000096225164 557184214 /nfs/dbraw/zinc/18/42/14/557184214.db2.gz PFJRIGKZPJCKLG-DEOSSOPVSA-N 0 0 436.512 4.039 40 0 IIABRN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096225394 557184250 /nfs/dbraw/zinc/18/42/50/557184250.db2.gz HWQCVMBEMQEKAP-OAQYLSRUSA-N 0 0 430.867 4.261 40 0 IIABRN C[C@@H]1Cc2ccccc2N1C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000096234425 557184983 /nfs/dbraw/zinc/18/49/83/557184983.db2.gz ZEGZPIKMAFHPMD-OAHLLOKOSA-N 0 0 440.487 4.229 40 0 IIABRN O=C(C[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096243132 557186918 /nfs/dbraw/zinc/18/69/18/557186918.db2.gz AXILZPFZCPJZKY-IBGZPJMESA-N 0 0 436.527 4.426 40 0 IIABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096243270 557187262 /nfs/dbraw/zinc/18/72/62/557187262.db2.gz DMVDPZLVOIFAOJ-FQEVSTJZSA-N 0 0 440.609 4.477 40 0 IIABRN Cc1cc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc(C)c1Br ZINC000096247365 557188302 /nfs/dbraw/zinc/18/83/02/557188302.db2.gz JRPUEFMVDQLADS-UHFFFAOYSA-N 0 0 430.302 4.153 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276770 557190597 /nfs/dbraw/zinc/19/05/97/557190597.db2.gz QWHQIXUSEJKABA-UHFFFAOYSA-N 0 0 440.487 4.222 40 0 IIABRN COc1ccc(-c2nc(C3CCN(C(=O)c4ccncc4)CC3)cc3c2ncn3C)cc1 ZINC000096267137 557192946 /nfs/dbraw/zinc/19/29/46/557192946.db2.gz BQVNDITWWASDQY-UHFFFAOYSA-N 0 0 427.508 4.059 40 0 IIABRN C[C@@H]1CC(C)(C)N(C(=O)CNC(=S)N2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000009939188 557194513 /nfs/dbraw/zinc/19/45/13/557194513.db2.gz RULNRCBBCNDLIQ-LJQANCHMSA-N 0 0 436.625 4.002 40 0 IIABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)CNC(=O)c1ccccc1 ZINC000585261214 557194725 /nfs/dbraw/zinc/19/47/25/557194725.db2.gz WPUCEURWVQXYDZ-JCQWJRDPSA-N 0 0 432.564 4.115 40 0 IIABRN O=C(N1CCC[C@H](Cc2ccc3nccn3c2)CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000585261916 557197753 /nfs/dbraw/zinc/19/77/53/557197753.db2.gz SBQRITLGIMXKOV-FQEVSTJZSA-N 0 0 435.543 4.393 40 0 IIABRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3O)nc2c1 ZINC000010003755 557200262 /nfs/dbraw/zinc/20/02/62/557200262.db2.gz UFPVTAJFTLBVEE-UHFFFAOYSA-N 0 0 447.472 4.364 40 0 IIABRN COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000010111887 557204467 /nfs/dbraw/zinc/20/44/67/557204467.db2.gz COVATMHSCNBRGB-DLBZAZTESA-N 0 0 432.586 4.025 40 0 IIABRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000585268316 557207551 /nfs/dbraw/zinc/20/75/51/557207551.db2.gz OTRWCBNOEDUNFV-PMACEKPBSA-N 0 0 444.503 4.441 40 0 IIABRN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccccc1Br ZINC000038203130 557208918 /nfs/dbraw/zinc/20/89/18/557208918.db2.gz OZJBSPQZQNZCII-LZYBPNLTSA-N 0 0 433.283 4.284 40 0 IIABRN COc1ccc(OC)c(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010314884 557216102 /nfs/dbraw/zinc/21/61/02/557216102.db2.gz VRLRBEVCDNOAIO-UHFFFAOYSA-N 0 0 440.521 4.374 40 0 IIABRN COC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010315245 557216484 /nfs/dbraw/zinc/21/64/84/557216484.db2.gz ZOLBNEMGUTZUIH-UHFFFAOYSA-N 0 0 438.505 4.143 40 0 IIABRN CC(C)(C)c1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000010336428 557216871 /nfs/dbraw/zinc/21/68/71/557216871.db2.gz LBEARNJMFDKJRV-UHFFFAOYSA-N 0 0 443.396 4.373 40 0 IIABRN CCc1ccc(OCC(=O)NCCCc2ccc(OC)c(OC)c2)c(Br)c1 ZINC000218866705 557219222 /nfs/dbraw/zinc/21/92/22/557219222.db2.gz MJWBRXIYSGBHLJ-UHFFFAOYSA-N 0 0 436.346 4.157 40 0 IIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2cccc(C)c2C)cc1 ZINC000010447973 557219263 /nfs/dbraw/zinc/21/92/63/557219263.db2.gz FUYGQKWYSYMGBQ-UHFFFAOYSA-N 0 0 436.577 4.432 40 0 IIABRN COc1ccc(N(CCCC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1Cl ZINC000010433863 557219398 /nfs/dbraw/zinc/21/93/98/557219398.db2.gz TUWZIFVEHKFJPK-UHFFFAOYSA-N 0 0 431.341 4.187 40 0 IIABRN C[C@@H](C(=O)N1CCCc2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000010449612 557220178 /nfs/dbraw/zinc/22/01/78/557220178.db2.gz ACUPBGZFGZZSQM-ZDUSSCGKSA-N 0 0 427.353 4.127 40 0 IIABRN COCCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccncc1 ZINC000010612674 557223628 /nfs/dbraw/zinc/22/36/28/557223628.db2.gz WQLHQMOHEOPLBV-UHFFFAOYSA-N 0 0 431.949 4.069 40 0 IIABRN CC[C@@H](C(=O)NCCCc1ccc(OC(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000219100327 557225430 /nfs/dbraw/zinc/22/54/30/557225430.db2.gz SPGODXWZNZNVAM-QHCPKHFHSA-N 0 0 446.613 4.076 40 0 IIABRN Cc1nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/c3cnn(C)c3)n2)sc1C ZINC000585290842 557228363 /nfs/dbraw/zinc/22/83/63/557228363.db2.gz GGVCGLUJXQBDCW-BLGFXRMMSA-N 0 0 437.573 4.102 40 0 IIABRN Cc1cnc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4csc(C)n4)C3)nc(C)n2)s1 ZINC000585291600 557228962 /nfs/dbraw/zinc/22/89/62/557228962.db2.gz SITXVASLTHPIEH-MBVDDHJVSA-N 0 0 426.571 4.088 40 0 IIABRN C[C@@H](NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)c1ccccc1 ZINC000219164035 557229119 /nfs/dbraw/zinc/22/91/19/557229119.db2.gz GGMGNZUPWSYCBB-OAHLLOKOSA-N 0 0 426.925 4.393 40 0 IIABRN Cc1nc(/C=C/C(=O)N2CC[C@H](c3cc(Nc4nc(C)c(C)s4)nc(C)n3)C2)cs1 ZINC000585292157 557230262 /nfs/dbraw/zinc/23/02/62/557230262.db2.gz XJNAHLHADUSNIL-JFDDCEBESA-N 0 0 440.598 4.396 40 0 IIABRN CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NCc2ccc(C)cc2)S1(=O)=O ZINC000219184683 557230304 /nfs/dbraw/zinc/23/03/04/557230304.db2.gz MHMDOVJSYXDAPW-UHFFFAOYSA-N 0 0 432.545 4.241 40 0 IIABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(I)cc1C ZINC000011636659 557231246 /nfs/dbraw/zinc/23/12/46/557231246.db2.gz NPQCKFUBMQBALR-HNNXBMFYSA-N 0 0 425.266 4.404 40 0 IIABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1)c1ccc(C)c(C)c1 ZINC000219251780 557233111 /nfs/dbraw/zinc/23/31/11/557233111.db2.gz PCZHUWNHSDTUHS-XMMPIXPASA-N 0 0 442.625 4.421 40 0 IIABRN CCCCCC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000604383054 557237362 /nfs/dbraw/zinc/23/73/62/557237362.db2.gz AUQNCYGTSFESRS-SONWIMMPSA-N 0 0 426.532 4.229 40 0 biogenic,in-vitro IIABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000057333597 557241863 /nfs/dbraw/zinc/24/18/63/557241863.db2.gz LNCWTDOBIQYTNM-QPJJXVBHSA-N 0 0 435.307 4.269 40 0 IIABRN COc1cccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4scnc4C)o3)CC2)c1OC ZINC000100156482 557245009 /nfs/dbraw/zinc/24/50/09/557245009.db2.gz CSQVCNHNIZMPFT-GASCZTMLSA-N 0 0 442.541 4.223 40 0 IIABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nn12 ZINC000057316243 557246415 /nfs/dbraw/zinc/24/64/15/557246415.db2.gz UHRFBDSYJWXPIO-UHFFFAOYSA-N 0 0 442.957 4.195 40 0 IIABRN NC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)sc2c1CCC2 ZINC000057316660 557249186 /nfs/dbraw/zinc/24/91/86/557249186.db2.gz IMWILOKEXCYABT-ZRDIBKRKSA-N 0 0 437.546 4.122 40 0 IIABRN Cc1ccccc1C[N@H+]1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3 ZINC000100243190 557255459 /nfs/dbraw/zinc/25/54/59/557255459.db2.gz SUKDWTTXJUTUEE-QHCPKHFHSA-N 0 0 447.583 4.011 40 0 IIABRN CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000219631683 557260657 /nfs/dbraw/zinc/26/06/57/557260657.db2.gz PHZPNHOZHNFYTO-UHFFFAOYSA-N 0 0 443.396 4.289 40 0 IIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(Br)cc3)n2)c1 ZINC000219691684 557262656 /nfs/dbraw/zinc/26/26/56/557262656.db2.gz DMLSLADQHGKASU-CQSZACIVSA-N 0 0 430.302 4.233 40 0 IIABRN COc1cccc(-c2nccc3ccn(CC(=O)NCCc4ccc(OC)c(OC)c4)c32)c1 ZINC000057773847 557263421 /nfs/dbraw/zinc/26/34/21/557263421.db2.gz GIXKDLKIZUAYTN-UHFFFAOYSA-N 0 0 445.519 4.088 40 0 IIABRN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000219758273 557267212 /nfs/dbraw/zinc/26/72/12/557267212.db2.gz NREUSHVIBOUBEZ-RTWAWAEBSA-N 0 0 434.989 4.397 40 0 IIABRN CC(C)C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000219758410 557267225 /nfs/dbraw/zinc/26/72/25/557267225.db2.gz NREUSHVIBOUBEZ-NHCUHLMSSA-N 0 0 434.989 4.397 40 0 IIABRN Cc1cnc2c(C(=O)NC[C@H]3CC[C@H](c4c5ccccc5sc4C(N)=O)CC3)cnn2c1 ZINC000100657904 557267453 /nfs/dbraw/zinc/26/74/53/557267453.db2.gz ZRGWNKWPUUDZMV-IYBDPMFKSA-N 0 0 447.564 4.055 40 0 IIABRN CCOc1ccc(CC(=O)NC[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)cc1 ZINC000100658051 557268107 /nfs/dbraw/zinc/26/81/07/557268107.db2.gz KCQRMHRHUGFIPT-BGYRXZFFSA-N 0 0 445.563 4.365 40 0 IIABRN Cc1ccc(C)c(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2cnn3C)c1 ZINC000027666443 557270967 /nfs/dbraw/zinc/27/09/67/557270967.db2.gz AEHCRDMNAQLGJO-UHFFFAOYSA-N 0 0 431.519 4.189 40 0 IIABRN CC1(C)C[C@H](NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c2ccccc2O1 ZINC000219969106 557273315 /nfs/dbraw/zinc/27/33/15/557273315.db2.gz OFNCDIBUDUVREF-NRFANRHFSA-N 0 0 442.581 4.035 40 0 IIABRN Cc1cc(-c2cncnc2[C@H]2CC[C@H](CNC(=O)Cc3ccc(N(C)C)cc3)CC2)on1 ZINC000100743582 557274275 /nfs/dbraw/zinc/27/42/75/557274275.db2.gz RURFTOFENRYLLA-BGYRXZFFSA-N 0 0 433.556 4.139 40 0 IIABRN CO[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)C1 ZINC000100743612 557274314 /nfs/dbraw/zinc/27/43/14/557274314.db2.gz QNLGZSHIPIDKTR-IYWMVGAKSA-N 0 0 426.561 4.344 40 0 IIABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2nc1SCC(=O)NC1CCCCC1 ZINC000013082885 557275577 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CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000014024172 557419711 /nfs/dbraw/zinc/41/97/11/557419711.db2.gz RSRKUOWRSKZABY-QFIPXVFZSA-N 0 0 440.521 4.292 40 0 IIABRN CC[C@@H](NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223041248 557420036 /nfs/dbraw/zinc/42/00/36/557420036.db2.gz OVUGBRXRLIDJQF-OAQYLSRUSA-N 0 0 446.613 4.434 40 0 IIABRN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n[nH]2)c1 ZINC000014137142 557423019 /nfs/dbraw/zinc/42/30/19/557423019.db2.gz VQBSMLNDFUTMOX-UHFFFAOYSA-N 0 0 438.431 4.239 40 0 IIABRN COc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223057902 557423002 /nfs/dbraw/zinc/42/30/02/557423002.db2.gz YOMQHXWOFGUEGN-LJQANCHMSA-N 0 0 426.557 4.023 40 0 IIABRN CC(C)(C)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 ZINC000014112416 557424432 /nfs/dbraw/zinc/42/44/32/557424432.db2.gz BYNLKVKBRPDXLB-SBUREZEXSA-N 0 0 435.586 4.048 40 0 IIABRN CCOc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1 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CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1 ZINC000223716508 557505492 /nfs/dbraw/zinc/50/54/92/557505492.db2.gz IYJHTRLRIWFGCP-OAQYLSRUSA-N 0 0 430.976 4.483 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 ZINC000223716936 557505495 /nfs/dbraw/zinc/50/54/95/557505495.db2.gz ODENKXFVIUOSGE-XZOQPEGZSA-N 0 0 434.565 4.106 40 0 IIABRN CCOC(=O)c1sc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c(C(=O)OCC)c1C ZINC000019647754 557505588 /nfs/dbraw/zinc/50/55/88/557505588.db2.gz QNFZWEZRMKUDBS-UHFFFAOYSA-N 0 0 448.566 4.154 40 0 IIABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 ZINC000223724894 557506469 /nfs/dbraw/zinc/50/64/69/557506469.db2.gz MTASCUPMCGRBGM-UZLBHIALSA-N 0 0 448.560 4.179 40 0 IIABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223736027 557507446 /nfs/dbraw/zinc/50/74/46/557507446.db2.gz HOPNZXOMQFUHNN-FGZHOGPDSA-N 0 0 439.512 4.406 40 0 IIABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 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Cc1nn(C)cc1-c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)on1 ZINC000257201407 568665667 /nfs/dbraw/zinc/66/56/67/568665667.db2.gz AHOUBTXJONAJJV-QGZVFWFLSA-N 0 0 449.486 4.121 40 0 IIABRN O=C(CC1CCCCC1)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000257202354 568666162 /nfs/dbraw/zinc/66/61/62/568666162.db2.gz ALJZYMCWAXRNPH-UHFFFAOYSA-N 0 0 434.584 4.285 40 0 IIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)on1 ZINC000257203114 568666839 /nfs/dbraw/zinc/66/68/39/568666839.db2.gz AOSYWPPWLMTHIB-NRFANRHFSA-N 0 0 449.486 4.469 40 0 IIABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCOC[C@H](Cc4cccc5cnccc54)C3)c2)n1 ZINC000257204464 568667349 /nfs/dbraw/zinc/66/73/49/568667349.db2.gz AUSLARCHEVNHJT-OAQYLSRUSA-N 0 0 440.547 4.369 40 0 IIABRN Cc1nc2sccn2c1CN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257205054 568667634 /nfs/dbraw/zinc/66/76/34/568667634.db2.gz AXLDHFNIWCHVLM-LJQANCHMSA-N 0 0 448.596 4.079 40 0 IIABRN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1cc(Nc2ccccn2)n[nH]1 ZINC000257207057 568668382 /nfs/dbraw/zinc/66/83/82/568668382.db2.gz BGEKIHPFKUHKQG-INIZCTEOSA-N 0 0 437.447 4.093 40 0 IIABRN Cc1cnc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 ZINC000257208424 568668876 /nfs/dbraw/zinc/66/88/76/568668876.db2.gz BMCIBCHDRGBEBM-NRFANRHFSA-N 0 0 442.441 4.003 40 0 IIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257208734 568669173 /nfs/dbraw/zinc/66/91/73/568669173.db2.gz BNKRCPGUTBMLMZ-NRFANRHFSA-N 0 0 449.990 4.497 40 0 IIABRN Cc1ccc(S(=O)(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3C)cc2)cc1 ZINC000257209566 568669445 /nfs/dbraw/zinc/66/94/45/568669445.db2.gz BQWVSKVRBBYCIS-UHFFFAOYSA-N 0 0 432.549 4.244 40 0 IIABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257217363 568673207 /nfs/dbraw/zinc/67/32/07/568673207.db2.gz CYPWQLFXANKKQU-QFIPXVFZSA-N 0 0 444.926 4.279 40 0 IIABRN Cc1cc(C)nc(N2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)n1 ZINC000257218728 568673740 /nfs/dbraw/zinc/67/37/40/568673740.db2.gz DEGBOYSFQSCVRC-HXUWFJFHSA-N 0 0 447.461 4.035 40 0 IIABRN COc1ccccc1CN1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 ZINC000257219293 568673987 /nfs/dbraw/zinc/67/39/87/568673987.db2.gz DGIGFLFSNQOZDQ-DEOSSOPVSA-N 0 0 441.959 4.277 40 0 IIABRN CC1(C)Cc2cc(CN3CCO[C@H](c4cccc(-c5cccc(C(N)=O)c5)n4)C3)ccc2O1 ZINC000257223192 568675765 /nfs/dbraw/zinc/67/57/65/568675765.db2.gz DWHRERDXLFGDGO-VWLOTQADSA-N 0 0 443.547 4.135 40 0 IIABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc(C)nc4onc(C)c43)C2)o1 ZINC000257224198 568676017 /nfs/dbraw/zinc/67/60/17/568676017.db2.gz FASBDVWQTXYIOY-SFHVURJKSA-N 0 0 446.507 4.447 40 0 IIABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257231602 568679575 /nfs/dbraw/zinc/67/95/75/568679575.db2.gz GHLBEITVQMMLAI-NRFANRHFSA-N 0 0 441.510 4.412 40 0 IIABRN COCCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)CC1 ZINC000257237480 568682382 /nfs/dbraw/zinc/68/23/82/568682382.db2.gz HGQQGCFBFXRJBR-WGSAOQKQSA-N 0 0 425.573 4.047 40 0 IIABRN Cc1csc(Nc2cc(C)nc([C@H]3CN(C(=O)c4n[nH]c5ccc(C)cc54)CCO3)c2)n1 ZINC000257239438 568683355 /nfs/dbraw/zinc/68/33/55/568683355.db2.gz HPGRDACQYIAUNH-HXUWFJFHSA-N 0 0 448.552 4.297 40 0 IIABRN Cc1nccn1Cc1cccc(C(=O)N2CCC[C@@H](Cc3cccn4ccnc34)CC2)c1 ZINC000257239745 568683836 /nfs/dbraw/zinc/68/38/36/568683836.db2.gz HQPZXHHOLPHATD-OAQYLSRUSA-N 0 0 427.552 4.373 40 0 IIABRN CN(CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccc(F)cc1 ZINC000257242073 568684656 /nfs/dbraw/zinc/68/46/56/568684656.db2.gz IAZWWJXZGBBTHC-JOCHJYFZSA-N 0 0 425.479 4.339 40 0 IIABRN Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257244864 568686037 /nfs/dbraw/zinc/68/60/37/568686037.db2.gz INCSPTUDNHKZJP-IBGZPJMESA-N 0 0 432.499 4.469 40 0 IIABRN O=C(COc1ncnc2ccccc21)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257249410 568688111 /nfs/dbraw/zinc/68/81/11/568688111.db2.gz JIFFXLNSHJXCCT-OAQYLSRUSA-N 0 0 432.455 4.090 40 0 IIABRN Cc1nnc(Nc2cccc([C@@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)s1 ZINC000257250712 568688751 /nfs/dbraw/zinc/68/87/51/568688751.db2.gz JNSKUEGDEQACCK-SFHVURJKSA-N 0 0 443.960 4.171 40 0 IIABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257250854 568688985 /nfs/dbraw/zinc/68/89/85/568688985.db2.gz JOIDJIWECCKBHU-GOSISDBHSA-N 0 0 443.482 4.276 40 0 IIABRN CCn1cc(-c2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccc(F)cc5)o4)C3)on2)cn1 ZINC000257253328 568690175 /nfs/dbraw/zinc/69/01/75/568690175.db2.gz JYLJKBFHTYSNOL-QGZVFWFLSA-N 0 0 449.486 4.296 40 0 IIABRN NC(=O)CC1(COc2ccc(F)cc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000257259621 568692960 /nfs/dbraw/zinc/69/29/60/568692960.db2.gz KZESCYFMYGGZGA-UHFFFAOYSA-N 0 0 438.421 4.021 40 0 IIABRN CCOc1cc2c(cc1CNc1cc(-c3c[nH]nc3[C@H]3CCN(C(C)=O)C3)ccn1)CCC2 ZINC000257259717 568692994 /nfs/dbraw/zinc/69/29/94/568692994.db2.gz KZQOYTJBOYSRNM-NRFANRHFSA-N 0 0 445.567 4.307 40 0 IIABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257261280 568693988 /nfs/dbraw/zinc/69/39/88/568693988.db2.gz LGOATVSNFFPMOI-OAQYLSRUSA-N 0 0 441.510 4.412 40 0 IIABRN CCc1nnc(Nc2cccc([C@H]3CN(Cc4ccc(C)cc4OC)CCO3)n2)s1 ZINC000257264178 568695221 /nfs/dbraw/zinc/69/52/21/568695221.db2.gz LTFUDBKFQUQJEN-LJQANCHMSA-N 0 0 425.558 4.130 40 0 IIABRN O=C(Cc1cccs1)N1CCC[C@](COc2ccccc2)(CC(=O)N2CCCCC2)C1 ZINC000257264298 568695266 /nfs/dbraw/zinc/69/52/66/568695266.db2.gz LTTWZNHRGMXKRQ-VWLOTQADSA-N 0 0 440.609 4.381 40 0 IIABRN Cc1ccc(C2(C(=O)N3CCOC[C@H](Cc4ccc5ccncc5c4)C3)CCOCC2)cc1 ZINC000257267590 568696499 /nfs/dbraw/zinc/69/64/99/568696499.db2.gz MHZDMDBCIRSIHD-HSZRJFAPSA-N 0 0 444.575 4.309 40 0 IIABRN CN(C(=O)C1CCCCC1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257269189 568697257 /nfs/dbraw/zinc/69/72/57/568697257.db2.gz MOYDCNSTLNKFMH-XPFUAVQFSA-N 0 0 429.601 4.023 40 0 IIABRN Cc1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257277636 568701090 /nfs/dbraw/zinc/70/10/90/568701090.db2.gz NYUVAXFPQYQIDV-OAQYLSRUSA-N 0 0 440.632 4.371 40 0 IIABRN Cc1nc([C@@H]2CCN(C(=O)C3CCCCC3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257281842 568703006 /nfs/dbraw/zinc/70/30/06/568703006.db2.gz ORFFJUPURRYKAN-JOCHJYFZSA-N 0 0 446.595 4.203 40 0 IIABRN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CCN(C)c2ccc(F)cc2)C1 ZINC000257283536 568703774 /nfs/dbraw/zinc/70/37/74/568703774.db2.gz OYTGZLMKTKQKCC-INIZCTEOSA-N 0 0 439.556 4.242 40 0 IIABRN O=C(CN1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1)Nc1c(F)cccc1F ZINC000257287933 568705659 /nfs/dbraw/zinc/70/56/59/568705659.db2.gz PSCGXALGEBSSOQ-UHFFFAOYSA-N 0 0 441.457 4.456 40 0 IIABRN Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4cnc(C(C)C)nc4)C3)cc2s1 ZINC000257293483 568708156 /nfs/dbraw/zinc/70/81/56/568708156.db2.gz QPQHVNUNOZGAKT-INIZCTEOSA-N 0 0 437.569 4.399 40 0 IIABRN O=C(N1CCOC[C@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2F)CCOCC1 ZINC000257293961 568708539 /nfs/dbraw/zinc/70/85/39/568708539.db2.gz QRWIXNSWDDGTBT-OAQYLSRUSA-N 0 0 448.538 4.140 40 0 IIABRN Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(Nc5ncccc5C)cc(C)n4)C3)c2c1 ZINC000257293915 568708558 /nfs/dbraw/zinc/70/85/58/568708558.db2.gz QRRVJMUHTGSQCC-JOCHJYFZSA-N 0 0 442.523 4.235 40 0 IIABRN Cc1nc([C@]2(O)CCCN(C(=O)CC(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000257299857 568711215 /nfs/dbraw/zinc/71/12/15/568711215.db2.gz RRYFNHAWHHLGMK-QHCPKHFHSA-N 0 0 434.577 4.458 40 0 IIABRN CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)N2C(=O)Cc1cccc(O)c1 ZINC000257300689 568711678 /nfs/dbraw/zinc/71/16/78/568711678.db2.gz RVHZNIBAFRYWGZ-NLJOTIRTSA-N 0 0 434.580 4.184 40 0 IIABRN NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000257300740 568711716 /nfs/dbraw/zinc/71/17/16/568711716.db2.gz RVNDFCWVNRREGX-CQSZACIVSA-N 0 0 448.573 4.077 40 0 IIABRN Cc1cc(C[C@H]2CC[C@@H]3C[N@H+](CC(=O)Nc4ccc(Oc5cccnc5)cc4)C[C@H]23)ncn1 ZINC000257301455 568711853 /nfs/dbraw/zinc/71/18/53/568711853.db2.gz RYMPTYYIRFQKMU-UMEGOILYSA-N 0 0 443.551 4.112 40 0 IIABRN CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000257301829 568712172 /nfs/dbraw/zinc/71/21/72/568712172.db2.gz SACPUUQJTDFBJQ-NRFANRHFSA-N 0 0 431.580 4.392 40 0 IIABRN CC(C)(C)OC(=O)N1[C@@H](CNC(=O)c2cc(F)ccc2F)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257303863 568713084 /nfs/dbraw/zinc/71/30/84/568713084.db2.gz SJCDKZPGSSCWBY-JYISGYRJSA-N 0 0 438.515 4.014 40 0 IIABRN Cc1cc2sc(NC(=O)c3cccc(OCCN4CCOCC4)c3)nc2cc1Cl ZINC000257305362 568713842 /nfs/dbraw/zinc/71/38/42/568713842.db2.gz SPQFAPQHANWKLS-UHFFFAOYSA-N 0 0 431.945 4.221 40 0 IIABRN CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000257309157 568715213 /nfs/dbraw/zinc/71/52/13/568715213.db2.gz TZUMFQYIYRNQKN-QFIPXVFZSA-N 0 0 426.524 4.052 40 0 IIABRN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCCNc2ncnc3ccccc32)n1 ZINC000257315060 568717800 /nfs/dbraw/zinc/71/78/00/568717800.db2.gz UZSXYEJFBPQCNE-JOCHJYFZSA-N 0 0 441.539 4.075 40 0 IIABRN CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(Cc1ccc(S(C)(=O)=O)cc1)CCO2 ZINC000257315322 568717942 /nfs/dbraw/zinc/71/79/42/568717942.db2.gz VAUWOMCYAJNZBP-SDHOMARFSA-N 0 0 443.609 4.095 40 0 IIABRN 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IIABRN CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329047715 568810306 /nfs/dbraw/zinc/81/03/06/568810306.db2.gz UGTIIEICJGXFFL-UHFFFAOYSA-N 0 0 428.336 4.479 40 0 IIABRN Cc1cccc(N2C(=S)N=NC2c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C ZINC000013534670 568828321 /nfs/dbraw/zinc/82/83/21/568828321.db2.gz XOXVVSKZWURXHO-UHFFFAOYSA-N 0 0 428.583 4.014 40 0 IIABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000100166047 568842746 /nfs/dbraw/zinc/84/27/46/568842746.db2.gz KAKFADBDXSIQQW-KURKYZTESA-N 0 0 436.726 4.182 40 0 IIABRN COc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3OC)c(=O)[nH]c2c1 ZINC000001327582 568897999 /nfs/dbraw/zinc/89/79/99/568897999.db2.gz SQZSNTBMQUNLQA-UHFFFAOYSA-N 0 0 444.491 4.175 40 0 IIABRN O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000224258063 568916787 /nfs/dbraw/zinc/91/67/87/568916787.db2.gz QAKIVQXVWPLRQF-UHFFFAOYSA-N 0 0 427.430 4.074 40 0 IIABRN O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000224258140 568916790 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